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 3ifg_1_D DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV 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 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 3 G C 0.000 174.876 174.900 -0.039 0.000 0.946 3 G CA 0.000 45.069 45.100 -0.051 0.000 0.502 4 S N 0.942 116.620 115.700 -0.036 0.000 2.835 4 S HA 0.752 5.221 4.470 -0.000 0.000 0.194 4 S C -0.120 174.465 174.600 -0.026 0.000 1.364 4 S CA -0.381 57.803 58.200 -0.026 0.000 1.167 4 S CB -0.336 62.853 63.200 -0.018 0.000 1.223 4 S HN 0.330 nan 8.310 nan 0.000 0.512 5 M N 1.307 120.889 119.600 -0.030 0.000 2.326 5 M HA 0.437 4.916 4.480 -0.000 0.000 0.292 5 M C 0.507 176.796 176.300 -0.018 0.000 1.081 5 M CA -0.756 54.529 55.300 -0.025 0.000 0.919 5 M CB 2.336 34.913 32.600 -0.038 0.000 1.634 5 M HN 0.038 nan 8.290 nan 0.000 0.451 6 K N 0.703 121.098 120.400 -0.008 0.000 2.144 6 K HA -0.172 4.148 4.320 -0.000 0.000 0.209 6 K C 0.307 176.908 176.600 0.001 0.000 1.047 6 K CA 1.532 57.817 56.287 -0.002 0.000 0.927 6 K CB 0.038 32.540 32.500 0.003 0.000 0.716 6 K HN 0.491 nan 8.250 nan 0.000 0.454 7 D N -1.682 118.720 120.400 0.002 0.000 2.375 7 D HA 0.152 4.791 4.640 -0.000 0.000 0.259 7 D C -2.392 173.897 176.300 -0.018 0.000 1.235 7 D CA -1.990 52.017 54.000 0.010 0.000 0.924 7 D CB 1.273 42.101 40.800 0.048 0.000 1.143 7 D HN -0.166 nan 8.370 nan 0.000 0.529 8 P HA -0.062 nan 4.420 nan 0.000 0.230 8 P C 1.227 178.447 177.300 -0.132 0.000 1.158 8 P CA 0.571 63.623 63.100 -0.081 0.000 0.769 8 P CB 0.195 31.854 31.700 -0.069 0.000 0.807 9 S N -1.400 114.219 115.700 -0.135 0.000 2.562 9 S HA 0.038 4.507 4.470 -0.000 0.000 0.221 9 S C 1.662 175.998 174.600 -0.440 0.000 0.975 9 S CA 0.213 58.243 58.200 -0.283 0.000 0.918 9 S CB -1.267 61.796 63.200 -0.229 0.000 0.772 9 S HN 0.095 nan 8.310 nan 0.000 0.531 10 L N 0.115 121.223 121.223 -0.192 0.000 2.291 10 L HA 0.216 4.555 4.340 -0.000 0.000 0.214 10 L C 0.799 177.544 176.870 -0.208 0.000 1.120 10 L CA 0.281 55.055 54.840 -0.110 0.000 0.799 10 L CB -0.328 41.753 42.059 0.036 0.000 0.925 10 L HN 0.343 nan 8.230 nan 0.000 0.446 11 L N 1.524 122.581 121.223 -0.277 0.000 2.315 11 L HA 0.204 4.544 4.340 -0.000 0.000 0.283 11 L C -0.073 176.526 176.870 -0.451 0.000 1.089 11 L CA 0.261 54.871 54.840 -0.383 0.000 0.833 11 L CB 0.162 41.953 42.059 -0.446 0.000 1.170 11 L HN -0.003 nan 8.230 nan 0.000 0.442 12 R N 4.469 124.750 120.500 -0.366 0.000 2.514 12 R HA 0.368 4.708 4.340 -0.000 0.000 0.301 12 R C -0.063 176.100 176.300 -0.229 0.000 0.962 12 R CA -0.513 55.379 56.100 -0.346 0.000 0.882 12 R CB 1.107 31.217 30.300 -0.317 0.000 1.143 12 R HN 0.634 nan 8.270 nan 0.000 0.452 13 H N 0.611 119.677 119.070 -0.006 0.000 2.592 13 H HA 0.271 4.827 4.556 -0.000 0.000 0.279 13 H C -0.217 175.138 175.328 0.045 0.000 1.089 13 H CA 0.045 56.130 56.048 0.063 0.000 1.150 13 H CB 1.516 31.276 29.762 -0.003 0.000 1.575 13 H HN 0.379 nan 8.280 nan 0.000 0.547 14 Q N 0.202 120.099 119.800 0.161 0.000 2.394 14 Q HA 0.636 4.976 4.340 -0.000 0.000 0.273 14 Q C -0.455 175.775 176.000 0.383 0.000 1.089 14 Q CA -0.878 55.068 55.803 0.239 0.000 0.812 14 Q CB 3.184 32.081 28.738 0.264 0.000 1.353 14 Q HN 0.215 nan 8.270 nan 0.000 0.438 15 A N 1.035 124.026 122.820 0.285 0.000 2.327 15 A HA 0.244 4.563 4.320 -0.000 0.000 0.255 15 A C -1.326 176.407 177.584 0.248 0.000 1.099 15 A CA 0.195 52.376 52.037 0.241 0.000 0.801 15 A CB 0.260 19.333 19.000 0.121 0.000 1.062 15 A HN 0.649 nan 8.150 nan 0.000 0.496 16 Y N 1.004 121.212 120.300 -0.154 0.000 2.426 16 Y HA 0.500 5.050 4.550 -0.000 0.000 0.325 16 Y C -1.072 174.640 175.900 -0.314 0.000 0.989 16 Y CA -1.460 56.336 58.100 -0.508 0.000 1.284 16 Y CB 0.868 38.841 38.460 -0.812 0.000 1.104 16 Y HN 0.380 nan 8.280 nan 0.000 0.481 17 I N 4.931 125.205 120.570 -0.494 0.000 2.410 17 I HA 0.339 4.508 4.170 -0.000 0.000 0.286 17 I C 1.042 176.872 176.117 -0.480 0.000 1.009 17 I CA -0.502 60.570 61.300 -0.381 0.000 1.111 17 I CB 1.060 38.949 38.000 -0.186 0.000 1.262 17 I HN 0.860 nan 8.210 nan 0.000 0.443 18 G N 4.786 113.310 108.800 -0.460 0.000 2.269 18 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.277 18 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.277 18 G C 1.014 175.637 174.900 -0.463 0.000 1.008 18 G CA 0.930 45.802 45.100 -0.380 0.000 0.774 18 G HN 1.684 nan 8.290 nan 0.000 0.511 19 G N -2.071 106.221 108.800 -0.846 0.000 2.159 19 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.227 19 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.227 19 G C -0.142 174.475 174.900 -0.470 0.000 0.986 19 G CA 0.785 45.447 45.100 -0.730 0.000 0.651 19 G HN 1.072 nan 8.290 nan 0.000 0.523 20 E N -1.194 118.699 120.200 -0.512 0.000 2.317 20 E HA 0.591 4.941 4.350 -0.000 0.000 0.270 20 E C -0.791 175.704 176.600 -0.175 0.000 0.885 20 E CA -0.861 55.423 56.400 -0.193 0.000 0.760 20 E CB 0.995 30.661 29.700 -0.057 0.000 1.227 20 E HN 0.280 nan 8.360 nan 0.000 0.434 21 W N 2.629 124.035 121.300 0.176 0.000 2.388 21 W HA 0.283 4.943 4.660 -0.000 0.000 0.308 21 W C 0.080 176.648 176.519 0.081 0.000 1.263 21 W CA -0.231 57.216 57.345 0.170 0.000 1.286 21 W CB 0.528 30.079 29.460 0.152 0.000 1.294 21 W HN 0.234 nan 8.180 nan 0.000 0.493 22 Q N 2.270 122.212 119.800 0.236 0.000 2.413 22 Q HA 0.772 5.112 4.340 -0.000 0.000 0.276 22 Q C -0.303 175.778 176.000 0.136 0.000 1.099 22 Q CA -1.134 54.753 55.803 0.141 0.000 0.814 22 Q CB 2.336 31.111 28.738 0.062 0.000 1.379 22 Q HN 0.541 nan 8.270 nan 0.000 0.436 23 A N 0.918 123.797 122.820 0.099 0.000 2.257 23 A HA 0.787 5.107 4.320 -0.000 0.000 0.289 23 A C -0.154 177.465 177.584 0.059 0.000 1.095 23 A CA -0.134 51.949 52.037 0.077 0.000 0.836 23 A CB 0.350 19.386 19.000 0.059 0.000 1.111 23 A HN 0.798 nan 8.150 nan 0.000 0.497 24 A N -0.200 122.652 122.820 0.054 0.000 2.475 24 A HA 0.285 4.605 4.320 -0.000 0.000 0.239 24 A C 0.690 178.295 177.584 0.035 0.000 1.087 24 A CA 0.471 52.535 52.037 0.046 0.000 0.779 24 A CB -0.189 18.843 19.000 0.053 0.000 1.036 24 A HN 0.790 nan 8.150 nan 0.000 0.506 25 D N 0.248 120.665 120.400 0.027 0.000 2.117 25 D HA -0.120 4.519 4.640 -0.000 0.000 0.197 25 D C 2.185 178.497 176.300 0.021 0.000 0.987 25 D CA 2.201 56.214 54.000 0.020 0.000 0.829 25 D CB -0.241 40.568 40.800 0.015 0.000 0.961 25 D HN 0.618 nan 8.370 nan 0.000 0.460 26 S N -0.705 115.010 115.700 0.024 0.000 2.593 26 S HA -0.020 4.450 4.470 -0.000 0.000 0.217 26 S C 0.582 175.198 174.600 0.026 0.000 0.966 26 S CA 0.169 58.383 58.200 0.024 0.000 0.914 26 S CB 0.300 63.515 63.200 0.025 0.000 0.776 26 S HN 0.033 nan 8.310 nan 0.000 0.523 27 D N 0.453 120.871 120.400 0.030 0.000 3.059 27 D HA -0.165 4.475 4.640 -0.000 0.000 0.213 27 D C 0.417 176.738 176.300 0.034 0.000 1.144 27 D CA 1.095 55.112 54.000 0.029 0.000 0.975 27 D CB -1.523 39.290 40.800 0.022 0.000 1.125 27 D HN 0.760 nan 8.370 nan 0.000 0.412 28 A N 0.288 123.134 122.820 0.043 0.000 2.483 28 A HA 0.466 4.786 4.320 -0.000 0.000 0.238 28 A C 1.058 178.686 177.584 0.074 0.000 1.070 28 A CA 1.190 53.261 52.037 0.058 0.000 0.770 28 A CB 0.654 19.693 19.000 0.064 0.000 1.008 28 A HN 0.370 nan 8.150 nan 0.000 0.497 29 T N -1.478 113.128 114.554 0.085 0.000 2.716 29 T HA 0.826 5.176 4.350 -0.000 0.000 0.286 29 T C -0.553 174.267 174.700 0.201 0.000 1.052 29 T CA -0.129 62.022 62.100 0.085 0.000 1.024 29 T CB 1.146 70.006 68.868 -0.013 0.000 1.349 29 T HN 1.696 nan 8.240 nan 0.000 0.525 30 F N -1.505 118.437 119.950 -0.013 0.000 2.686 30 F HA 0.839 5.366 4.527 -0.000 0.000 0.311 30 F C -0.930 174.828 175.800 -0.070 0.000 1.128 30 F CA -1.175 56.809 58.000 -0.027 0.000 0.946 30 F CB 1.362 40.353 39.000 -0.015 0.000 1.336 30 F HN 0.799 nan 8.300 nan 0.000 0.457 31 E N 1.057 121.243 120.200 -0.024 0.000 2.242 31 E HA 0.651 5.000 4.350 -0.000 0.000 0.275 31 E C -1.587 174.772 176.600 -0.402 0.000 1.002 31 E CA -1.052 55.162 56.400 -0.310 0.000 0.841 31 E CB 2.093 31.543 29.700 -0.417 0.000 1.109 31 E HN 0.597 nan 8.360 nan 0.000 0.394 32 V N 4.954 124.596 119.914 -0.452 0.000 2.378 32 V HA 0.342 4.462 4.120 -0.000 0.000 0.288 32 V C -0.821 175.096 176.094 -0.295 0.000 1.016 32 V CA -0.595 61.544 62.300 -0.267 0.000 0.840 32 V CB 0.439 32.190 31.823 -0.121 0.000 0.994 32 V HN 0.529 nan 8.190 nan 0.000 0.431 33 F N 1.808 121.794 119.950 0.060 0.000 2.399 33 F HA 0.438 4.965 4.527 -0.000 0.000 0.328 33 F C 0.700 176.505 175.800 0.008 0.000 1.084 33 F CA -0.770 57.245 58.000 0.024 0.000 1.053 33 F CB 0.764 39.757 39.000 -0.011 0.000 1.209 33 F HN 0.387 nan 8.300 nan 0.000 0.502 34 D N 3.207 123.717 120.400 0.183 0.000 2.351 34 D HA 0.111 4.751 4.640 -0.000 0.000 0.251 34 D C -1.680 174.621 176.300 0.002 0.000 1.137 34 D CA -1.743 52.301 54.000 0.073 0.000 0.879 34 D CB 1.563 42.389 40.800 0.043 0.000 1.181 34 D HN 0.187 nan 8.370 nan 0.000 0.448 35 P HA 0.086 nan 4.420 nan 0.000 0.245 35 P C 0.393 177.598 177.300 -0.157 0.000 1.206 35 P CA 0.202 63.235 63.100 -0.111 0.000 0.781 35 P CB 0.486 32.110 31.700 -0.127 0.000 0.994 36 A N -0.704 122.058 122.820 -0.097 0.000 2.197 36 A HA 0.201 4.521 4.320 -0.000 0.000 0.210 36 A C 1.618 179.280 177.584 0.131 0.000 1.180 36 A CA 1.054 53.124 52.037 0.056 0.000 0.846 36 A CB -0.382 18.705 19.000 0.146 0.000 0.884 36 A HN 0.177 nan 8.150 nan 0.000 0.487 37 T N -3.565 110.902 114.554 -0.145 0.000 3.105 37 T HA 0.413 4.762 4.350 -0.000 0.000 0.257 37 T C 1.435 175.833 174.700 -0.504 0.000 0.949 37 T CA 0.782 62.770 62.100 -0.187 0.000 0.959 37 T CB 0.603 69.483 68.868 0.021 0.000 1.205 37 T HN 1.349 nan 8.240 nan 0.000 0.496 38 G N 2.736 111.322 108.800 -0.358 0.000 2.195 38 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 38 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 38 G C -0.069 174.867 174.900 0.060 0.000 0.984 38 G CA 0.105 45.069 45.100 -0.227 0.000 0.633 38 G HN 0.760 nan 8.290 nan 0.000 0.525 39 E N 1.095 121.337 120.200 0.070 0.000 2.344 39 E HA 0.516 4.865 4.350 -0.000 0.000 0.270 39 E C 0.335 177.041 176.600 0.177 0.000 1.021 39 E CA 0.099 56.575 56.400 0.127 0.000 0.887 39 E CB 1.150 30.893 29.700 0.071 0.000 0.997 39 E HN 0.121 nan 8.360 nan 0.000 0.429 40 S N 1.435 117.242 115.700 0.178 0.000 2.552 40 S HA 0.072 4.542 4.470 -0.000 0.000 0.289 40 S C 0.679 175.277 174.600 -0.002 0.000 1.304 40 S CA 0.220 58.442 58.200 0.037 0.000 1.063 40 S CB 0.285 63.483 63.200 -0.005 0.000 0.848 40 S HN 0.593 nan 8.310 nan 0.000 0.499 41 L N 3.173 124.378 121.223 -0.029 0.000 2.693 41 L HA 0.687 5.027 4.340 -0.000 0.000 0.235 41 L C 1.170 178.069 176.870 0.048 0.000 1.127 41 L CA 0.751 55.594 54.840 0.005 0.000 0.914 41 L CB -1.410 40.680 42.059 0.052 0.000 1.193 41 L HN 1.188 nan 8.230 nan 0.000 0.502 42 G N -1.292 107.541 108.800 0.054 0.000 2.316 42 G HA2 0.444 4.403 3.960 -0.000 0.000 0.349 42 G HA3 0.444 4.403 3.960 -0.000 0.000 0.349 42 G C -0.229 174.722 174.900 0.085 0.000 1.274 42 G CA 0.507 45.688 45.100 0.134 0.000 1.018 42 G HN 1.501 nan 8.290 nan 0.000 0.486 43 T N -2.502 112.133 114.554 0.135 0.000 2.916 43 T HA 0.922 5.272 4.350 -0.000 0.000 0.292 43 T C -0.105 174.596 174.700 0.002 0.000 1.055 43 T CA -0.078 62.002 62.100 -0.034 0.000 1.009 43 T CB 1.690 70.507 68.868 -0.086 0.000 1.118 43 T HN 2.217 nan 8.240 nan 0.000 0.497 44 V N -2.084 117.652 119.914 -0.295 0.000 2.925 44 V HA 0.780 4.900 4.120 -0.000 0.000 0.311 44 V C -3.236 172.698 176.094 -0.268 0.000 1.104 44 V CA -3.202 58.920 62.300 -0.296 0.000 0.954 44 V CB 1.451 32.971 31.823 -0.505 0.000 1.022 44 V HN 0.717 nan 8.190 nan 0.000 0.427 45 P HA 0.137 nan 4.420 nan 0.000 0.267 45 P C -0.823 176.551 177.300 0.123 0.000 1.200 45 P CA 0.075 63.191 63.100 0.026 0.000 0.772 45 P CB 0.372 32.110 31.700 0.062 0.000 0.855 46 K N 4.470 124.986 120.400 0.192 0.000 2.385 46 K HA 0.273 4.593 4.320 -0.000 0.000 0.229 46 K C -0.233 176.451 176.600 0.140 0.000 1.089 46 K CA -0.192 56.264 56.287 0.281 0.000 1.060 46 K CB -0.189 32.494 32.500 0.306 0.000 1.698 46 K HN 0.463 nan 8.250 nan 0.000 0.469 47 M N 0.480 120.152 119.600 0.119 0.000 2.159 47 M HA 0.327 4.807 4.480 -0.000 0.000 0.293 47 M C 0.908 177.235 176.300 0.045 0.000 1.186 47 M CA -0.181 55.160 55.300 0.069 0.000 1.073 47 M CB 1.280 33.915 32.600 0.059 0.000 1.419 47 M HN 0.591 nan 8.290 nan 0.000 0.490 48 G N -0.903 107.913 108.800 0.027 0.000 3.195 48 G HA2 0.595 4.555 3.960 -0.000 0.000 0.217 48 G HA3 0.595 4.555 3.960 -0.000 0.000 0.217 48 G C 0.314 175.217 174.900 0.004 0.000 1.166 48 G CA 0.055 45.162 45.100 0.012 0.000 0.812 48 G HN 0.745 nan 8.290 nan 0.000 0.617 49 A N -0.289 122.530 122.820 -0.002 0.000 1.865 49 A HA 0.173 4.493 4.320 -0.000 0.000 0.217 49 A C 2.777 180.356 177.584 -0.007 0.000 1.191 49 A CA 3.271 55.304 52.037 -0.007 0.000 0.623 49 A CB -1.249 17.746 19.000 -0.008 0.000 0.826 49 A HN 1.599 nan 8.150 nan 0.000 0.444 50 A N -0.317 122.500 122.820 -0.005 0.000 1.892 50 A HA -0.235 4.085 4.320 -0.000 0.000 0.218 50 A C 1.888 179.466 177.584 -0.010 0.000 1.188 50 A CA 2.222 54.255 52.037 -0.006 0.000 0.631 50 A CB -0.621 18.378 19.000 -0.002 0.000 0.822 50 A HN 0.578 nan 8.150 nan 0.000 0.447 51 E N -0.725 119.472 120.200 -0.006 0.000 2.152 51 E HA -0.056 4.294 4.350 -0.000 0.000 0.192 51 E C 2.128 178.715 176.600 -0.023 0.000 0.983 51 E CA 1.533 57.926 56.400 -0.011 0.000 0.818 51 E CB -0.409 29.292 29.700 0.002 0.000 0.758 51 E HN 0.657 nan 8.360 nan 0.000 0.467 52 T N 0.682 115.226 114.554 -0.017 0.000 2.668 52 T HA -0.165 4.185 4.350 -0.000 0.000 0.262 52 T C 2.076 176.757 174.700 -0.032 0.000 1.045 52 T CA 1.311 63.397 62.100 -0.024 0.000 1.152 52 T CB -0.589 68.270 68.868 -0.015 0.000 0.864 52 T HN 0.276 nan 8.240 nan 0.000 0.419 53 A N 2.082 124.887 122.820 -0.026 0.000 1.940 53 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 53 A C 2.402 179.966 177.584 -0.033 0.000 1.190 53 A CA 1.918 53.939 52.037 -0.026 0.000 0.647 53 A CB -0.639 18.350 19.000 -0.019 0.000 0.821 53 A HN 0.410 nan 8.150 nan 0.000 0.457 54 R N -1.126 119.351 120.500 -0.038 0.000 2.062 54 R HA -0.042 4.298 4.340 -0.000 0.000 0.231 54 R C 2.621 178.880 176.300 -0.068 0.000 1.136 54 R CA 1.189 57.261 56.100 -0.048 0.000 0.948 54 R CB -0.596 29.675 30.300 -0.048 0.000 0.845 54 R HN 0.532 nan 8.270 nan 0.000 0.430 55 A N 1.462 124.234 122.820 -0.081 0.000 1.917 55 A HA -0.194 4.125 4.320 -0.000 0.000 0.219 55 A C 2.177 179.703 177.584 -0.095 0.000 1.182 55 A CA 1.476 53.447 52.037 -0.110 0.000 0.633 55 A CB -0.606 18.329 19.000 -0.108 0.000 0.819 55 A HN 0.212 nan 8.150 nan 0.000 0.448 56 I N -0.985 119.543 120.570 -0.070 0.000 2.142 56 I HA -0.258 3.912 4.170 -0.000 0.000 0.240 56 I C 2.523 178.610 176.117 -0.050 0.000 1.078 56 I CA 1.803 63.066 61.300 -0.061 0.000 1.343 56 I CB -0.466 37.506 38.000 -0.047 0.000 1.046 56 I HN 0.326 nan 8.210 nan 0.000 0.405 57 E N 0.867 121.044 120.200 -0.039 0.000 2.085 57 E HA -0.229 4.120 4.350 -0.000 0.000 0.194 57 E C 2.254 178.838 176.600 -0.027 0.000 0.994 57 E CA 1.573 57.959 56.400 -0.023 0.000 0.801 57 E CB -0.235 29.453 29.700 -0.020 0.000 0.743 57 E HN 0.508 nan 8.360 nan 0.000 0.453 58 A N 0.719 123.506 122.820 -0.055 0.000 1.972 58 A HA -0.091 4.229 4.320 -0.000 0.000 0.219 58 A C 2.307 179.851 177.584 -0.066 0.000 1.169 58 A CA 1.625 53.620 52.037 -0.070 0.000 0.635 58 A CB -0.639 18.291 19.000 -0.117 0.000 0.810 58 A HN 0.310 nan 8.150 nan 0.000 0.446 59 A N -0.794 121.980 122.820 -0.075 0.000 1.873 59 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 59 A C 2.193 179.779 177.584 0.004 0.000 1.186 59 A CA 1.729 53.722 52.037 -0.074 0.000 0.616 59 A CB -0.601 18.335 19.000 -0.107 0.000 0.823 59 A HN 0.630 nan 8.150 nan 0.000 0.442 60 Q N -0.595 119.220 119.800 0.025 0.000 2.084 60 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 60 Q C 2.197 178.298 176.000 0.169 0.000 0.978 60 Q CA 1.584 57.458 55.803 0.118 0.000 0.844 60 Q CB -0.327 28.463 28.738 0.088 0.000 0.898 60 Q HN 0.622 nan 8.270 nan 0.000 0.426 61 A N 0.549 123.422 122.820 0.089 0.000 1.902 61 A HA -0.081 4.238 4.320 -0.000 0.000 0.217 61 A C 2.175 179.818 177.584 0.099 0.000 1.181 61 A CA 1.613 53.695 52.037 0.075 0.000 0.623 61 A CB -0.785 18.232 19.000 0.028 0.000 0.818 61 A HN 0.519 nan 8.150 nan 0.000 0.443 62 A N -2.184 120.690 122.820 0.091 0.000 2.167 62 A HA 0.023 4.343 4.320 -0.000 0.000 0.214 62 A C 1.725 179.454 177.584 0.241 0.000 1.151 62 A CA 1.077 53.173 52.037 0.100 0.000 0.735 62 A CB -0.647 18.350 19.000 -0.004 0.000 0.802 62 A HN 0.783 nan 8.150 nan 0.000 0.467 63 W N 1.186 122.520 121.300 0.057 0.000 2.329 63 W HA -0.222 4.438 4.660 -0.000 0.000 0.324 63 W C 2.418 179.021 176.519 0.139 0.000 1.222 63 W CA 1.797 59.213 57.345 0.117 0.000 1.270 63 W CB -0.975 28.532 29.460 0.079 0.000 1.167 63 W HN 0.358 nan 8.180 nan 0.000 0.467 64 A N 0.651 123.495 122.820 0.039 0.000 1.903 64 A HA -0.176 4.143 4.320 -0.000 0.000 0.219 64 A C 2.293 179.863 177.584 -0.023 0.000 1.191 64 A CA 2.769 54.720 52.037 -0.144 0.000 0.638 64 A CB -1.685 17.248 19.000 -0.111 0.000 0.823 64 A HN 0.476 nan 8.150 nan 0.000 0.451 65 G N -2.632 106.215 108.800 0.078 0.000 2.509 65 G HA2 -0.189 3.770 3.960 -0.000 0.000 0.218 65 G HA3 -0.189 3.770 3.960 -0.000 0.000 0.218 65 G C 1.409 176.429 174.900 0.200 0.000 1.124 65 G CA 0.755 45.919 45.100 0.105 0.000 0.776 65 G HN 0.719 nan 8.290 nan 0.000 0.547 66 W N 1.901 123.233 121.300 0.053 0.000 2.525 66 W HA 0.002 4.662 4.660 -0.000 0.000 0.288 66 W C 2.625 179.196 176.519 0.086 0.000 1.200 66 W CA 0.627 58.023 57.345 0.085 0.000 1.349 66 W CB 0.126 29.671 29.460 0.142 0.000 1.102 66 W HN 0.285 nan 8.180 nan 0.000 0.558 67 R N 0.617 121.185 120.500 0.113 0.000 2.189 67 R HA -0.169 4.170 4.340 -0.000 0.000 0.223 67 R C 2.081 178.304 176.300 -0.129 0.000 1.092 67 R CA 1.582 57.654 56.100 -0.048 0.000 0.989 67 R CB -0.998 29.257 30.300 -0.075 0.000 0.876 67 R HN 0.233 nan 8.270 nan 0.000 0.457 68 M N 1.249 120.787 119.600 -0.103 0.000 2.200 68 M HA 0.015 4.494 4.480 -0.000 0.000 0.265 68 M C 0.049 176.285 176.300 -0.107 0.000 1.066 68 M CA 1.201 56.443 55.300 -0.096 0.000 1.127 68 M CB 0.217 32.779 32.600 -0.064 0.000 1.379 68 M HN 0.019 nan 8.290 nan 0.000 0.420 69 K N 1.661 121.978 120.400 -0.139 0.000 2.440 69 K HA -0.003 4.317 4.320 -0.000 0.000 0.270 69 K C 0.476 176.965 176.600 -0.185 0.000 0.980 69 K CA 0.349 56.536 56.287 -0.166 0.000 0.953 69 K CB 0.204 32.554 32.500 -0.249 0.000 0.925 69 K HN 0.342 nan 8.250 nan 0.000 0.497 70 T N -1.169 113.301 114.554 -0.140 0.000 2.766 70 T HA 0.164 4.514 4.350 -0.000 0.000 0.295 70 T C 1.357 175.963 174.700 -0.156 0.000 1.024 70 T CA -0.241 61.786 62.100 -0.122 0.000 1.018 70 T CB 1.170 69.987 68.868 -0.084 0.000 1.002 70 T HN 0.560 nan 8.240 nan 0.000 0.532 71 A N 0.564 123.310 122.820 -0.123 0.000 1.933 71 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 71 A C 2.362 179.887 177.584 -0.099 0.000 1.175 71 A CA 1.697 53.663 52.037 -0.119 0.000 0.628 71 A CB -0.869 18.082 19.000 -0.081 0.000 0.814 71 A HN 0.951 nan 8.150 nan 0.000 0.444 72 K N -0.154 120.199 120.400 -0.079 0.000 2.097 72 K HA -0.176 4.144 4.320 -0.000 0.000 0.206 72 K C 1.835 178.405 176.600 -0.051 0.000 1.049 72 K CA 1.658 57.911 56.287 -0.057 0.000 0.933 72 K CB -0.167 32.305 32.500 -0.046 0.000 0.717 72 K HN 0.631 nan 8.250 nan 0.000 0.442 73 E N -0.054 120.103 120.200 -0.072 0.000 2.106 73 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 73 E C 2.152 178.708 176.600 -0.072 0.000 0.984 73 E CA 0.934 57.297 56.400 -0.063 0.000 0.806 73 E CB 0.106 29.759 29.700 -0.078 0.000 0.750 73 E HN 0.244 nan 8.360 nan 0.000 0.458 74 R N 0.081 120.482 120.500 -0.165 0.000 2.115 74 R HA -0.001 4.339 4.340 -0.000 0.000 0.226 74 R C 2.266 178.580 176.300 0.023 0.000 1.100 74 R CA 0.848 56.833 56.100 -0.191 0.000 0.980 74 R CB -0.093 29.943 30.300 -0.440 0.000 0.875 74 R HN 0.078 nan 8.270 nan 0.000 0.445 75 A N 1.138 123.959 122.820 0.002 0.000 1.930 75 A HA -0.056 4.264 4.320 -0.000 0.000 0.217 75 A C 2.305 179.933 177.584 0.074 0.000 1.175 75 A CA 1.516 53.576 52.037 0.040 0.000 0.627 75 A CB -0.411 18.585 19.000 -0.007 0.000 0.815 75 A HN 0.362 nan 8.150 nan 0.000 0.443 76 A N -0.164 122.693 122.820 0.062 0.000 1.969 76 A HA -0.010 4.310 4.320 -0.000 0.000 0.218 76 A C 2.050 179.711 177.584 0.129 0.000 1.169 76 A CA 1.404 53.489 52.037 0.081 0.000 0.635 76 A CB -0.517 18.516 19.000 0.055 0.000 0.810 76 A HN 0.499 nan 8.150 nan 0.000 0.445 77 I N -0.734 119.931 120.570 0.158 0.000 2.353 77 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 77 I C 2.204 178.486 176.117 0.274 0.000 1.119 77 I CA 0.815 62.240 61.300 0.209 0.000 1.417 77 I CB -0.191 37.974 38.000 0.275 0.000 1.078 77 I HN 0.250 nan 8.210 nan 0.000 0.421 78 L N 0.111 121.514 121.223 0.301 0.000 2.156 78 L HA -0.099 4.241 4.340 -0.000 0.000 0.208 78 L C 2.673 179.759 176.870 0.360 0.000 1.095 78 L CA 0.934 56.012 54.840 0.396 0.000 0.770 78 L CB -0.383 41.886 42.059 0.349 0.000 0.914 78 L HN 0.154 nan 8.230 nan 0.000 0.439 79 R N -0.008 120.642 120.500 0.250 0.000 2.148 79 R HA -0.068 4.272 4.340 -0.000 0.000 0.223 79 R C 2.390 178.886 176.300 0.326 0.000 1.088 79 R CA 0.837 57.089 56.100 0.253 0.000 0.985 79 R CB 0.079 30.465 30.300 0.143 0.000 0.880 79 R HN 0.242 nan 8.270 nan 0.000 0.451 80 R N -0.974 119.685 120.500 0.265 0.000 2.115 80 R HA -0.159 4.180 4.340 -0.000 0.000 0.226 80 R C 1.763 178.235 176.300 0.286 0.000 1.100 80 R CA 1.255 57.489 56.100 0.225 0.000 0.980 80 R CB -0.281 30.118 30.300 0.164 0.000 0.875 80 R HN 0.315 nan 8.270 nan 0.000 0.445 81 W N 1.068 122.444 121.300 0.126 0.000 2.381 81 W HA -0.178 4.481 4.660 -0.000 0.000 0.301 81 W C 1.800 178.405 176.519 0.142 0.000 1.205 81 W CA 0.569 57.979 57.345 0.108 0.000 1.285 81 W CB -0.783 28.747 29.460 0.117 0.000 1.133 81 W HN -0.033 nan 8.180 nan 0.000 0.521 82 F N 2.065 122.050 119.950 0.058 0.000 2.043 82 F HA -0.273 4.254 4.527 -0.000 0.000 0.297 82 F C 2.005 177.794 175.800 -0.018 0.000 1.121 82 F CA 2.660 60.619 58.000 -0.069 0.000 1.199 82 F CB -0.874 38.120 39.000 -0.009 0.000 0.968 82 F HN -0.272 nan 8.300 nan 0.000 0.478 83 D N 0.386 120.757 120.400 -0.049 0.000 2.309 83 D HA -0.119 4.521 4.640 -0.000 0.000 0.212 83 D C 2.188 178.420 176.300 -0.114 0.000 0.968 83 D CA 1.107 55.017 54.000 -0.149 0.000 0.882 83 D CB -0.222 40.606 40.800 0.047 0.000 0.918 83 D HN 0.378 nan 8.370 nan 0.000 0.503 84 L N -0.586 120.619 121.223 -0.030 0.000 2.513 84 L HA 0.036 4.376 4.340 -0.000 0.000 0.222 84 L C 2.071 178.926 176.870 -0.024 0.000 1.096 84 L CA 0.053 54.898 54.840 0.007 0.000 0.857 84 L CB 0.495 42.612 42.059 0.097 0.000 1.026 84 L HN -0.110 nan 8.230 nan 0.000 0.469 85 V N -0.205 119.645 119.914 -0.106 0.000 2.535 85 V HA -0.157 3.963 4.120 -0.000 0.000 0.246 85 V C 2.321 178.328 176.094 -0.145 0.000 1.045 85 V CA 0.968 63.196 62.300 -0.120 0.000 1.058 85 V CB 0.023 31.717 31.823 -0.216 0.000 0.689 85 V HN 0.228 nan 8.190 nan 0.000 0.461 86 I N 0.930 121.344 120.570 -0.261 0.000 2.252 86 I HA -0.174 3.996 4.170 -0.000 0.000 0.245 86 I C 2.642 178.676 176.117 -0.138 0.000 1.102 86 I CA 1.990 63.141 61.300 -0.249 0.000 1.385 86 I CB -1.463 36.274 38.000 -0.439 0.000 1.064 86 I HN 0.313 nan 8.210 nan 0.000 0.414 87 A N 0.412 123.162 122.820 -0.117 0.000 2.014 87 A HA -0.087 4.232 4.320 -0.000 0.000 0.218 87 A C 1.702 179.268 177.584 -0.030 0.000 1.163 87 A CA 1.041 53.042 52.037 -0.061 0.000 0.652 87 A CB -0.487 18.485 19.000 -0.047 0.000 0.808 87 A HN 0.485 nan 8.150 nan 0.000 0.449 88 N N 0.068 118.755 118.700 -0.022 0.000 2.321 88 N HA 0.013 4.753 4.740 -0.000 0.000 0.242 88 N C 1.202 176.716 175.510 0.006 0.000 1.141 88 N CA 0.685 53.738 53.050 0.006 0.000 0.864 88 N CB 0.469 38.977 38.487 0.034 0.000 1.100 88 N HN 0.592 nan 8.380 nan 0.000 0.510 89 S N 0.294 115.987 115.700 -0.011 0.000 2.402 89 S HA -0.104 4.365 4.470 -0.000 0.000 0.229 89 S C 1.389 175.996 174.600 0.011 0.000 1.021 89 S CA 0.867 59.065 58.200 -0.002 0.000 0.974 89 S CB 0.055 63.245 63.200 -0.017 0.000 0.800 89 S HN 0.055 nan 8.310 nan 0.000 0.484 90 D N 2.301 122.705 120.400 0.007 0.000 2.103 90 D HA -0.113 4.527 4.640 -0.000 0.000 0.190 90 D C 1.637 177.945 176.300 0.012 0.000 0.997 90 D CA 1.636 55.642 54.000 0.010 0.000 0.833 90 D CB -0.553 40.251 40.800 0.005 0.000 0.961 90 D HN 0.411 nan 8.370 nan 0.000 0.447 91 D N 0.002 120.409 120.400 0.012 0.000 2.117 91 D HA -0.076 4.564 4.640 -0.000 0.000 0.198 91 D C 2.415 178.726 176.300 0.017 0.000 0.982 91 D CA 0.283 54.288 54.000 0.009 0.000 0.828 91 D CB -0.358 40.447 40.800 0.008 0.000 0.967 91 D HN 0.214 nan 8.370 nan 0.000 0.464 92 L N 0.793 122.036 121.223 0.033 0.000 2.083 92 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 92 L C 2.515 179.416 176.870 0.053 0.000 1.083 92 L CA 1.102 55.972 54.840 0.051 0.000 0.752 92 L CB -0.329 41.766 42.059 0.060 0.000 0.899 92 L HN -0.024 nan 8.230 nan 0.000 0.433 93 A N -0.263 122.583 122.820 0.044 0.000 1.908 93 A HA -0.236 4.084 4.320 -0.000 0.000 0.218 93 A C 2.168 179.774 177.584 0.037 0.000 1.181 93 A CA 1.747 53.811 52.037 0.045 0.000 0.627 93 A CB -0.690 18.333 19.000 0.039 0.000 0.818 93 A HN 0.324 nan 8.150 nan 0.000 0.445 94 L N 0.162 121.400 121.223 0.024 0.000 2.056 94 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 94 L C 2.210 179.085 176.870 0.009 0.000 1.078 94 L CA 1.559 56.407 54.840 0.014 0.000 0.749 94 L CB -0.770 41.290 42.059 0.001 0.000 0.901 94 L HN 0.453 nan 8.230 nan 0.000 0.433 95 I N -0.961 119.612 120.570 0.006 0.000 2.151 95 I HA -0.362 3.808 4.170 -0.000 0.000 0.243 95 I C 2.552 178.702 176.117 0.056 0.000 1.080 95 I CA 1.642 62.945 61.300 0.004 0.000 1.339 95 I CB -0.388 37.617 38.000 0.008 0.000 1.039 95 I HN 0.306 nan 8.210 nan 0.000 0.409 96 L N 0.203 121.468 121.223 0.070 0.000 1.994 96 L HA -0.247 4.093 4.340 -0.000 0.000 0.208 96 L C 2.685 179.593 176.870 0.064 0.000 1.071 96 L CA 1.885 56.775 54.840 0.083 0.000 0.745 96 L CB -0.423 41.685 42.059 0.082 0.000 0.892 96 L HN 0.256 nan 8.230 nan 0.000 0.431 97 T N -0.981 113.601 114.554 0.046 0.000 2.635 97 T HA -0.237 4.112 4.350 -0.000 0.000 0.267 97 T C 1.716 176.437 174.700 0.036 0.000 1.040 97 T CA 2.159 64.280 62.100 0.035 0.000 1.156 97 T CB -0.590 68.298 68.868 0.033 0.000 0.863 97 T HN 0.454 nan 8.240 nan 0.000 0.430 98 T N 2.339 116.914 114.554 0.035 0.000 2.665 98 T HA -0.191 4.159 4.350 -0.000 0.000 0.268 98 T C 2.018 176.753 174.700 0.058 0.000 1.035 98 T CA 1.846 63.966 62.100 0.033 0.000 1.151 98 T CB -0.401 68.470 68.868 0.006 0.000 0.862 98 T HN 0.798 nan 8.240 nan 0.000 0.438 99 E N 0.083 120.340 120.200 0.095 0.000 2.299 99 E HA -0.029 4.321 4.350 -0.000 0.000 0.193 99 E C 2.219 178.869 176.600 0.084 0.000 0.998 99 E CA 0.571 57.054 56.400 0.138 0.000 0.851 99 E CB 0.002 29.851 29.700 0.249 0.000 0.795 99 E HN 0.315 nan 8.360 nan 0.000 0.492 100 Q N -0.384 119.454 119.800 0.063 0.000 2.369 100 Q HA 0.130 4.469 4.340 -0.000 0.000 0.254 100 Q C 1.163 177.162 176.000 -0.002 0.000 0.858 100 Q CA 1.158 56.990 55.803 0.048 0.000 0.961 100 Q CB 1.476 30.268 28.738 0.091 0.000 1.119 100 Q HN 0.417 nan 8.270 nan 0.000 0.538 101 G N 1.944 110.737 108.800 -0.012 0.000 2.659 101 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.202 101 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.202 101 G C -0.094 174.789 174.900 -0.029 0.000 1.186 101 G CA 0.005 45.072 45.100 -0.054 0.000 0.783 101 G HN 0.374 nan 8.290 nan 0.000 0.521 102 K N 2.195 122.583 120.400 -0.019 0.000 2.591 102 K HA 0.268 4.588 4.320 -0.000 0.000 0.280 102 K C -2.496 174.113 176.600 0.015 0.000 0.964 102 K CA -0.142 56.140 56.287 -0.009 0.000 1.014 102 K CB -0.057 32.421 32.500 -0.037 0.000 0.877 102 K HN 0.229 nan 8.250 nan 0.000 0.502 103 P HA -0.152 nan 4.420 nan 0.000 0.265 103 P C 1.027 178.348 177.300 0.035 0.000 1.187 103 P CA -0.245 62.878 63.100 0.039 0.000 0.766 103 P CB 0.408 32.132 31.700 0.040 0.000 0.820 104 L N 3.505 124.749 121.223 0.036 0.000 2.021 104 L HA -0.309 4.030 4.340 -0.000 0.000 0.215 104 L C 1.906 178.796 176.870 0.034 0.000 1.074 104 L CA 2.947 57.807 54.840 0.033 0.000 0.760 104 L CB -1.414 40.662 42.059 0.030 0.000 0.889 104 L HN 0.422 nan 8.230 nan 0.000 0.433 105 A N -0.759 122.081 122.820 0.033 0.000 1.902 105 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 105 A C 2.103 179.711 177.584 0.040 0.000 1.181 105 A CA 1.747 53.804 52.037 0.033 0.000 0.623 105 A CB -0.519 18.499 19.000 0.030 0.000 0.818 105 A HN 0.593 nan 8.150 nan 0.000 0.443 106 E N -0.500 119.724 120.200 0.040 0.000 2.077 106 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 106 E C 2.321 178.956 176.600 0.058 0.000 0.989 106 E CA 0.860 57.288 56.400 0.046 0.000 0.800 106 E CB -0.253 29.467 29.700 0.034 0.000 0.746 106 E HN 0.618 nan 8.360 nan 0.000 0.452 107 A N 1.395 124.245 122.820 0.049 0.000 1.940 107 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 107 A C 1.928 179.558 177.584 0.078 0.000 1.176 107 A CA 1.465 53.539 52.037 0.061 0.000 0.631 107 A CB -0.263 18.766 19.000 0.049 0.000 0.814 107 A HN 0.058 nan 8.150 nan 0.000 0.446 108 K N -0.932 119.506 120.400 0.063 0.000 2.025 108 K HA -0.074 4.246 4.320 -0.000 0.000 0.207 108 K C 2.185 178.832 176.600 0.078 0.000 1.049 108 K CA 0.999 57.322 56.287 0.060 0.000 0.933 108 K CB -0.478 32.048 32.500 0.043 0.000 0.714 108 K HN 0.462 nan 8.250 nan 0.000 0.438 109 G N 1.554 110.402 108.800 0.080 0.000 2.469 109 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.219 109 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.219 109 G C 1.351 176.344 174.900 0.156 0.000 1.150 109 G CA 1.274 46.429 45.100 0.092 0.000 0.763 109 G HN 0.478 nan 8.290 nan 0.000 0.561 110 E N -0.038 120.280 120.200 0.196 0.000 2.106 110 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 110 E C 2.396 179.160 176.600 0.274 0.000 0.984 110 E CA 0.678 57.270 56.400 0.320 0.000 0.806 110 E CB -0.118 29.794 29.700 0.353 0.000 0.750 110 E HN 0.312 nan 8.360 nan 0.000 0.458 111 I N 1.676 122.349 120.570 0.170 0.000 2.142 111 I HA -0.204 3.965 4.170 -0.000 0.000 0.240 111 I C 2.591 178.770 176.117 0.103 0.000 1.078 111 I CA 1.493 62.860 61.300 0.112 0.000 1.343 111 I CB -1.669 36.370 38.000 0.065 0.000 1.046 111 I HN 0.239 nan 8.210 nan 0.000 0.405 112 A N -0.561 122.324 122.820 0.108 0.000 2.070 112 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 112 A C 2.290 179.967 177.584 0.156 0.000 1.159 112 A CA 1.242 53.339 52.037 0.100 0.000 0.656 112 A CB -0.855 18.195 19.000 0.082 0.000 0.800 112 A HN 0.502 nan 8.150 nan 0.000 0.453 113 Y N 0.227 120.559 120.300 0.053 0.000 2.201 113 Y HA 0.148 4.698 4.550 -0.000 0.000 0.292 113 Y C 2.615 178.613 175.900 0.162 0.000 1.119 113 Y CA 0.774 58.902 58.100 0.047 0.000 1.127 113 Y CB -0.816 37.689 38.460 0.075 0.000 1.019 113 Y HN 0.268 nan 8.280 nan 0.000 0.514 114 A N 0.967 123.873 122.820 0.143 0.000 1.892 114 A HA -0.215 4.104 4.320 -0.000 0.000 0.218 114 A C 2.442 180.067 177.584 0.067 0.000 1.188 114 A CA 2.528 54.621 52.037 0.095 0.000 0.631 114 A CB -1.614 17.424 19.000 0.063 0.000 0.822 114 A HN 0.626 nan 8.150 nan 0.000 0.447 115 A N 0.104 122.952 122.820 0.047 0.000 1.933 115 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 115 A C 2.508 180.233 177.584 0.235 0.000 1.175 115 A CA 2.386 54.489 52.037 0.112 0.000 0.628 115 A CB -1.002 18.028 19.000 0.051 0.000 0.814 115 A HN 1.120 nan 8.150 nan 0.000 0.444 116 S N -0.836 114.911 115.700 0.078 0.000 2.382 116 S HA -0.165 4.304 4.470 -0.000 0.000 0.228 116 S C 1.727 176.194 174.600 -0.221 0.000 1.027 116 S CA 1.512 59.655 58.200 -0.095 0.000 0.991 116 S CB -0.798 62.262 63.200 -0.233 0.000 0.823 116 S HN 0.376 nan 8.310 nan 0.000 0.469 117 F N 1.724 121.596 119.950 -0.131 0.000 2.134 117 F HA 0.139 4.666 4.527 -0.000 0.000 0.299 117 F C 2.271 178.132 175.800 0.103 0.000 1.097 117 F CA 0.828 58.795 58.000 -0.056 0.000 1.264 117 F CB -0.593 38.360 39.000 -0.078 0.000 1.001 117 F HN 0.178 nan 8.300 nan 0.000 0.479 118 I N -0.031 120.664 120.570 0.207 0.000 2.127 118 I HA -0.330 3.840 4.170 -0.000 0.000 0.241 118 I C 2.533 178.706 176.117 0.094 0.000 1.075 118 I CA 1.844 63.225 61.300 0.135 0.000 1.334 118 I CB -0.547 37.404 38.000 -0.082 0.000 1.040 118 I HN 0.173 nan 8.210 nan 0.000 0.405 119 E N 0.885 121.019 120.200 -0.109 0.000 2.033 119 E HA -0.310 4.039 4.350 -0.000 0.000 0.199 119 E C 2.216 178.720 176.600 -0.161 0.000 1.011 119 E CA 1.986 58.160 56.400 -0.377 0.000 0.815 119 E CB -0.409 28.804 29.700 -0.811 0.000 0.755 119 E HN 0.580 nan 8.360 nan 0.000 0.451 120 W N 0.299 121.413 121.300 -0.311 0.000 2.304 120 W HA -0.279 4.381 4.660 -0.000 0.000 0.315 120 W C 1.577 177.902 176.519 -0.323 0.000 1.233 120 W CA 1.440 58.555 57.345 -0.382 0.000 1.261 120 W CB -0.431 28.680 29.460 -0.582 0.000 1.150 120 W HN 0.185 nan 8.180 nan 0.000 0.494 121 F N 0.710 120.697 119.950 0.062 0.000 2.367 121 F HA 0.017 4.544 4.527 -0.000 0.000 0.298 121 F C 2.704 178.467 175.800 -0.062 0.000 1.094 121 F CA 1.511 59.505 58.000 -0.010 0.000 1.409 121 F CB -1.446 37.627 39.000 0.121 0.000 1.064 121 F HN -0.112 nan 8.300 nan 0.000 0.528 122 A N 0.346 123.230 122.820 0.107 0.000 1.892 122 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 122 A C 2.134 179.678 177.584 -0.066 0.000 1.188 122 A CA 2.083 54.143 52.037 0.039 0.000 0.631 122 A CB -0.778 18.233 19.000 0.019 0.000 0.822 122 A HN 0.451 nan 8.150 nan 0.000 0.447 123 E N -0.774 119.316 120.200 -0.182 0.000 2.106 123 E HA -0.144 4.205 4.350 -0.000 0.000 0.192 123 E C 1.991 178.417 176.600 -0.291 0.000 0.984 123 E CA 0.909 57.151 56.400 -0.263 0.000 0.806 123 E CB -0.100 29.373 29.700 -0.379 0.000 0.750 123 E HN 0.513 nan 8.360 nan 0.000 0.458 124 E N 0.397 120.393 120.200 -0.339 0.000 2.072 124 E HA -0.094 4.256 4.350 -0.000 0.000 0.190 124 E C 2.263 178.827 176.600 -0.059 0.000 0.982 124 E CA 0.911 57.164 56.400 -0.244 0.000 0.803 124 E CB -0.425 29.171 29.700 -0.172 0.000 0.755 124 E HN 0.339 nan 8.360 nan 0.000 0.453 125 G N 1.705 110.506 108.800 0.002 0.000 2.475 125 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.220 125 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.220 125 G C 1.468 176.350 174.900 -0.031 0.000 1.125 125 G CA 0.722 45.828 45.100 0.011 0.000 0.755 125 G HN 0.244 nan 8.290 nan 0.000 0.565 126 K N -0.362 120.000 120.400 -0.062 0.000 2.525 126 K HA 0.123 4.443 4.320 -0.000 0.000 0.192 126 K C 1.764 178.323 176.600 -0.068 0.000 1.029 126 K CA 0.235 56.480 56.287 -0.069 0.000 1.029 126 K CB 0.227 32.678 32.500 -0.083 0.000 0.814 126 K HN 0.190 nan 8.250 nan 0.000 0.503 127 R N 0.198 120.658 120.500 -0.067 0.000 2.531 127 R HA 0.135 4.475 4.340 -0.000 0.000 0.316 127 R C -0.423 175.856 176.300 -0.034 0.000 0.955 127 R CA -0.162 55.897 56.100 -0.068 0.000 1.120 127 R CB 1.140 31.374 30.300 -0.110 0.000 1.361 127 R HN -0.135 nan 8.270 nan 0.000 0.534 128 V N 2.073 121.983 119.914 -0.007 0.000 2.493 128 V HA 0.189 4.309 4.120 -0.000 0.000 0.292 128 V C 0.317 176.417 176.094 0.011 0.000 1.016 128 V CA 0.202 62.516 62.300 0.022 0.000 1.097 128 V CB 0.695 32.544 31.823 0.044 0.000 0.947 128 V HN 0.235 nan 8.190 nan 0.000 0.479 129 A N 4.545 127.373 122.820 0.013 0.000 2.393 129 A HA 0.874 5.194 4.320 -0.000 0.000 0.306 129 A C 0.235 177.830 177.584 0.017 0.000 1.050 129 A CA -0.003 52.037 52.037 0.005 0.000 0.724 129 A CB 1.693 20.685 19.000 -0.014 0.000 1.248 129 A HN 0.932 nan 8.150 nan 0.000 0.424 130 G N 0.273 109.084 108.800 0.019 0.000 2.583 130 G HA2 0.606 4.565 3.960 -0.000 0.000 0.280 130 G HA3 0.606 4.565 3.960 -0.000 0.000 0.280 130 G C -0.940 173.972 174.900 0.019 0.000 1.376 130 G CA -0.426 44.690 45.100 0.027 0.000 1.043 130 G HN 0.749 nan 8.290 nan 0.000 0.538 131 D N -1.672 118.743 120.400 0.026 0.000 2.477 131 D HA 0.537 5.177 4.640 -0.000 0.000 0.234 131 D C -0.504 175.812 176.300 0.027 0.000 1.048 131 D CA -0.604 53.408 54.000 0.019 0.000 0.959 131 D CB 1.799 42.607 40.800 0.014 0.000 1.408 131 D HN 0.511 nan 8.370 nan 0.000 0.496 132 T N -1.062 113.503 114.554 0.020 0.000 2.786 132 T HA 0.684 5.033 4.350 -0.000 0.000 0.283 132 T C -0.601 174.110 174.700 0.019 0.000 0.992 132 T CA -0.813 61.302 62.100 0.025 0.000 0.954 132 T CB 0.199 69.078 68.868 0.019 0.000 0.934 132 T HN 0.286 nan 8.240 nan 0.000 0.440 133 L N 3.566 124.803 121.223 0.024 0.000 2.342 133 L HA 0.592 4.932 4.340 -0.000 0.000 0.271 133 L C -2.341 174.538 176.870 0.014 0.000 1.008 133 L CA -2.723 52.125 54.840 0.012 0.000 0.818 133 L CB 2.003 44.063 42.059 0.000 0.000 1.296 133 L HN 0.449 nan 8.230 nan 0.000 0.427 134 P HA 0.073 nan 4.420 nan 0.000 0.276 134 P C -0.300 177.006 177.300 0.009 0.000 1.264 134 P CA -0.164 62.940 63.100 0.008 0.000 0.769 134 P CB 0.721 32.423 31.700 0.003 0.000 0.840 135 T N 4.432 118.996 114.554 0.017 0.000 2.930 135 T HA 0.174 4.524 4.350 -0.000 0.000 0.306 135 T C -1.058 173.651 174.700 0.015 0.000 1.045 135 T CA -1.131 60.983 62.100 0.023 0.000 1.134 135 T CB -0.004 68.883 68.868 0.032 0.000 0.961 135 T HN 0.321 nan 8.240 nan 0.000 0.545 136 P HA 0.278 nan 4.420 nan 0.000 0.261 136 P C -0.445 176.864 177.300 0.015 0.000 1.268 136 P CA 0.237 63.343 63.100 0.011 0.000 0.833 136 P CB 0.411 32.115 31.700 0.007 0.000 1.231 137 D N -0.153 120.259 120.400 0.021 0.000 2.602 137 D HA 0.324 4.964 4.640 -0.000 0.000 0.245 137 D C 0.829 177.140 176.300 0.019 0.000 1.325 137 D CA -0.434 53.578 54.000 0.020 0.000 0.952 137 D CB 2.212 43.027 40.800 0.026 0.000 1.317 137 D HN -0.171 nan 8.370 nan 0.000 0.577 138 A N 4.065 126.894 122.820 0.014 0.000 1.997 138 A HA -0.244 4.076 4.320 -0.000 0.000 0.221 138 A C 1.567 179.158 177.584 0.012 0.000 1.172 138 A CA 1.324 53.368 52.037 0.011 0.000 0.645 138 A CB -0.220 18.785 19.000 0.008 0.000 0.813 138 A HN 0.609 nan 8.150 nan 0.000 0.454 139 N N -0.436 118.271 118.700 0.012 0.000 2.515 139 N HA 0.034 4.774 4.740 -0.000 0.000 0.185 139 N C 0.171 175.688 175.510 0.013 0.000 1.109 139 N CA 0.780 53.836 53.050 0.010 0.000 0.903 139 N CB 0.092 38.584 38.487 0.009 0.000 0.969 139 N HN 0.562 nan 8.380 nan 0.000 0.450 140 K N -0.047 120.365 120.400 0.020 0.000 2.395 140 K HA 0.464 4.783 4.320 -0.000 0.000 0.247 140 K C -0.499 176.122 176.600 0.034 0.000 0.973 140 K CA -0.739 55.564 56.287 0.027 0.000 0.828 140 K CB 2.028 34.552 32.500 0.040 0.000 1.272 140 K HN -0.254 nan 8.250 nan 0.000 0.439 141 R N 1.342 121.865 120.500 0.038 0.000 2.686 141 R HA 0.494 4.834 4.340 -0.000 0.000 0.286 141 R C -0.840 175.509 176.300 0.082 0.000 0.969 141 R CA -0.671 55.456 56.100 0.046 0.000 0.898 141 R CB 1.157 31.474 30.300 0.027 0.000 1.183 141 R HN 0.586 nan 8.270 nan 0.000 0.456 142 I N 2.377 123.010 120.570 0.105 0.000 2.330 142 I HA 0.333 4.502 4.170 -0.000 0.000 0.289 142 I C -0.379 175.819 176.117 0.134 0.000 1.001 142 I CA -0.769 60.640 61.300 0.182 0.000 1.193 142 I CB 1.697 39.786 38.000 0.148 0.000 1.345 142 I HN 0.029 nan 8.210 nan 0.000 0.461 143 V N 7.335 127.344 119.914 0.158 0.000 2.531 143 V HA 0.424 4.544 4.120 -0.000 0.000 0.301 143 V C -0.310 175.869 176.094 0.143 0.000 1.034 143 V CA -0.679 61.683 62.300 0.103 0.000 0.865 143 V CB 2.300 34.152 31.823 0.050 0.000 0.995 143 V HN 0.349 nan 8.190 nan 0.000 0.424 144 V N 5.769 125.749 119.914 0.110 0.000 2.448 144 V HA 0.668 4.787 4.120 -0.000 0.000 0.295 144 V C -0.092 176.044 176.094 0.070 0.000 1.025 144 V CA -0.533 61.834 62.300 0.111 0.000 0.859 144 V CB 1.860 33.737 31.823 0.090 0.000 0.988 144 V HN 0.763 nan 8.190 nan 0.000 0.431 145 V N 2.450 122.404 119.914 0.066 0.000 3.113 145 V HA 0.794 4.914 4.120 -0.000 0.000 0.316 145 V C -0.724 175.403 176.094 0.056 0.000 1.125 145 V CA -0.932 61.397 62.300 0.048 0.000 1.026 145 V CB 2.437 34.279 31.823 0.032 0.000 1.080 145 V HN 0.701 nan 8.190 nan 0.000 0.444 146 K N 1.970 122.401 120.400 0.052 0.000 2.324 146 K HA 0.611 4.931 4.320 -0.000 0.000 0.253 146 K C -0.895 175.746 176.600 0.068 0.000 0.932 146 K CA -0.273 56.053 56.287 0.065 0.000 0.799 146 K CB 2.357 34.896 32.500 0.066 0.000 1.154 146 K HN 1.068 nan 8.250 nan 0.000 0.425 147 E N 1.691 121.945 120.200 0.091 0.000 2.393 147 E HA 0.471 4.821 4.350 -0.000 0.000 0.273 147 E C -2.820 173.882 176.600 0.170 0.000 0.918 147 E CA -2.442 54.026 56.400 0.113 0.000 0.773 147 E CB 1.854 31.611 29.700 0.096 0.000 1.275 147 E HN 0.100 nan 8.360 nan 0.000 0.451 148 P HA -0.036 nan 4.420 nan 0.000 0.265 148 P C 0.503 177.986 177.300 0.304 0.000 1.187 148 P CA 0.126 63.403 63.100 0.295 0.000 0.766 148 P CB 0.992 32.967 31.700 0.458 0.000 0.820 149 I N 0.889 121.553 120.570 0.156 0.000 2.353 149 I HA 0.004 4.173 4.170 -0.000 0.000 0.248 149 I C 1.024 177.100 176.117 -0.068 0.000 1.119 149 I CA 1.922 63.266 61.300 0.072 0.000 1.417 149 I CB -0.341 37.665 38.000 0.010 0.000 1.078 149 I HN 0.707 nan 8.210 nan 0.000 0.421 150 G N -0.578 107.966 108.800 -0.427 0.000 2.250 150 G HA2 -0.063 3.897 3.960 -0.000 0.000 0.252 150 G HA3 -0.063 3.897 3.960 -0.000 0.000 0.252 150 G C -0.966 173.417 174.900 -0.862 0.000 1.325 150 G CA -0.292 44.067 45.100 -1.235 0.000 1.091 150 G HN -0.012 nan 8.290 nan 0.000 0.476 151 V N 0.549 120.068 119.914 -0.659 0.000 2.485 151 V HA 0.367 4.487 4.120 -0.000 0.000 0.287 151 V C 0.697 176.667 176.094 -0.208 0.000 1.022 151 V CA -0.021 62.056 62.300 -0.371 0.000 1.067 151 V CB 0.148 31.828 31.823 -0.239 0.000 0.967 151 V HN 0.833 nan 8.190 nan 0.000 0.479 152 C N 4.671 123.888 119.300 -0.139 0.000 2.391 152 C HA 0.905 5.365 4.460 -0.000 0.000 0.339 152 C C 0.579 175.555 174.990 -0.024 0.000 1.205 152 C CA -0.678 58.318 59.018 -0.038 0.000 1.937 152 C CB 0.955 28.740 27.740 0.076 0.000 2.341 152 C HN 1.006 nan 8.230 nan 0.000 0.516 153 A N 1.448 124.270 122.820 0.004 0.000 2.401 153 A HA 0.946 5.266 4.320 -0.000 0.000 0.310 153 A C -0.745 176.872 177.584 0.054 0.000 1.075 153 A CA -0.339 51.706 52.037 0.014 0.000 0.746 153 A CB 1.134 20.134 19.000 -0.001 0.000 1.277 153 A HN 1.428 nan 8.150 nan 0.000 0.425 154 A N 1.544 124.401 122.820 0.062 0.000 2.393 154 A HA 0.767 5.087 4.320 -0.000 0.000 0.306 154 A C -1.045 176.601 177.584 0.104 0.000 1.050 154 A CA -0.315 51.775 52.037 0.090 0.000 0.724 154 A CB 0.827 19.873 19.000 0.077 0.000 1.248 154 A HN 0.746 nan 8.150 nan 0.000 0.424 155 I N 2.764 123.431 120.570 0.162 0.000 2.439 155 I HA 0.372 4.542 4.170 -0.000 0.000 0.283 155 I C 0.054 176.271 176.117 0.167 0.000 1.023 155 I CA -0.270 61.156 61.300 0.209 0.000 1.100 155 I CB 2.218 40.418 38.000 0.333 0.000 1.238 155 I HN 0.769 nan 8.210 nan 0.000 0.445 156 T N 4.069 118.681 114.554 0.097 0.000 2.888 156 T HA 0.683 5.032 4.350 -0.000 0.000 0.284 156 T C -2.656 172.065 174.700 0.034 0.000 1.017 156 T CA -2.011 60.102 62.100 0.022 0.000 1.022 156 T CB 2.271 71.158 68.868 0.032 0.000 1.013 156 T HN 0.203 nan 8.240 nan 0.000 0.465 157 P HA 0.325 nan 4.420 nan 0.000 0.310 157 P C 0.676 177.982 177.300 0.011 0.000 1.309 157 P CA -0.801 62.253 63.100 -0.077 0.000 0.769 157 P CB 1.023 32.555 31.700 -0.279 0.000 1.327 158 W N 0.254 121.596 121.300 0.070 0.000 2.762 158 W HA 0.002 4.661 4.660 -0.000 0.000 0.265 158 W C 0.955 177.499 176.519 0.041 0.000 1.263 158 W CA 0.618 57.998 57.345 0.058 0.000 1.411 158 W CB -2.102 27.383 29.460 0.040 0.000 1.065 158 W HN 0.199 nan 8.180 nan 0.000 0.609 159 N N 1.795 120.336 118.700 -0.264 0.000 2.205 159 N HA -0.204 4.535 4.740 -0.000 0.000 0.186 159 N C -0.098 175.172 175.510 -0.399 0.000 1.015 159 N CA 1.247 54.152 53.050 -0.242 0.000 0.862 159 N CB -1.151 37.103 38.487 -0.388 0.000 0.986 159 N HN 0.082 nan 8.380 nan 0.000 0.429 160 F N -0.811 119.143 119.950 0.007 0.000 2.686 160 F HA 0.401 4.928 4.527 -0.000 0.000 0.365 160 F C -1.951 173.884 175.800 0.059 0.000 1.196 160 F CA -2.113 55.916 58.000 0.049 0.000 1.198 160 F CB 2.298 41.319 39.000 0.034 0.000 1.454 160 F HN -0.133 nan 8.300 nan 0.000 0.539 161 P HA -0.031 nan 4.420 nan 0.000 0.229 161 P C 1.093 178.490 177.300 0.162 0.000 1.160 161 P CA 0.884 64.085 63.100 0.168 0.000 0.777 161 P CB 0.481 32.278 31.700 0.161 0.000 0.814 162 A N 0.007 122.935 122.820 0.181 0.000 1.944 162 A HA 0.386 4.706 4.320 -0.000 0.000 0.209 162 A C 2.261 179.919 177.584 0.123 0.000 1.328 162 A CA 0.913 53.043 52.037 0.155 0.000 0.693 162 A CB -1.296 17.796 19.000 0.152 0.000 0.994 162 A HN 0.091 nan 8.150 nan 0.000 0.485 163 A N -0.503 122.419 122.820 0.170 0.000 1.940 163 A HA -0.145 4.175 4.320 -0.000 0.000 0.219 163 A C 2.124 179.624 177.584 -0.140 0.000 1.176 163 A CA 2.055 54.116 52.037 0.040 0.000 0.631 163 A CB -0.539 18.565 19.000 0.173 0.000 0.814 163 A HN 0.407 nan 8.150 nan 0.000 0.446 164 M N -0.423 119.155 119.600 -0.037 0.000 2.229 164 M HA -0.048 4.432 4.480 -0.000 0.000 0.264 164 M C 1.966 178.225 176.300 -0.069 0.000 1.063 164 M CA 0.911 56.152 55.300 -0.099 0.000 1.114 164 M CB -1.090 31.497 32.600 -0.021 0.000 1.387 164 M HN 0.312 nan 8.290 nan 0.000 0.420 165 I N 0.563 121.139 120.570 0.011 0.000 2.099 165 I HA -0.212 3.958 4.170 -0.000 0.000 0.239 165 I C 2.587 178.731 176.117 0.045 0.000 1.066 165 I CA 1.704 63.044 61.300 0.066 0.000 1.324 165 I CB -1.803 36.285 38.000 0.146 0.000 1.037 165 I HN 0.173 nan 8.210 nan 0.000 0.401 166 A N 0.443 123.257 122.820 -0.009 0.000 2.019 166 A HA -0.190 4.129 4.320 -0.000 0.000 0.219 166 A C 2.433 179.935 177.584 -0.137 0.000 1.164 166 A CA 1.256 53.266 52.037 -0.046 0.000 0.644 166 A CB -0.634 18.309 19.000 -0.096 0.000 0.805 166 A HN 0.351 nan 8.150 nan 0.000 0.449 167 R N -0.544 119.732 120.500 -0.374 0.000 2.189 167 R HA -0.049 4.291 4.340 -0.000 0.000 0.223 167 R C 1.627 177.783 176.300 -0.239 0.000 1.092 167 R CA 1.453 57.230 56.100 -0.538 0.000 0.989 167 R CB -0.027 29.840 30.300 -0.722 0.000 0.876 167 R HN 0.516 nan 8.270 nan 0.000 0.457 168 K N -0.976 119.335 120.400 -0.147 0.000 2.350 168 K HA 0.111 4.431 4.320 -0.000 0.000 0.196 168 K C 1.826 178.332 176.600 -0.157 0.000 1.084 168 K CA 0.308 56.545 56.287 -0.084 0.000 0.967 168 K CB 0.509 33.014 32.500 0.008 0.000 0.950 168 K HN -0.056 nan 8.250 nan 0.000 0.512 169 V N 1.479 121.360 119.914 -0.054 0.000 2.346 169 V HA -0.089 4.030 4.120 -0.000 0.000 0.244 169 V C 2.389 178.476 176.094 -0.011 0.000 1.037 169 V CA 2.128 64.431 62.300 0.006 0.000 1.029 169 V CB -0.850 31.092 31.823 0.197 0.000 0.663 169 V HN 0.430 nan 8.190 nan 0.000 0.454 170 G N 1.898 110.737 108.800 0.064 0.000 2.586 170 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.218 170 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.218 170 G C 0.147 174.910 174.900 -0.230 0.000 1.216 170 G CA 1.506 46.673 45.100 0.113 0.000 0.786 170 G HN 0.549 nan 8.290 nan 0.000 0.583 171 P HA -0.046 nan 4.420 nan 0.000 0.218 171 P C 1.974 178.763 177.300 -0.851 0.000 1.149 171 P CA 2.056 64.446 63.100 -1.183 0.000 0.817 171 P CB -0.154 30.640 31.700 -1.512 0.000 0.785 172 A N 0.086 122.327 122.820 -0.965 0.000 1.841 172 A HA -0.136 4.184 4.320 -0.000 0.000 0.214 172 A C 2.250 179.775 177.584 -0.097 0.000 1.195 172 A CA 1.466 53.131 52.037 -0.619 0.000 0.611 172 A CB -1.613 17.138 19.000 -0.415 0.000 0.835 172 A HN 0.075 nan 8.150 nan 0.000 0.443 173 L N -0.264 120.977 121.223 0.029 0.000 2.083 173 L HA -0.114 4.225 4.340 -0.000 0.000 0.209 173 L C 2.927 180.030 176.870 0.388 0.000 1.083 173 L CA 1.830 56.900 54.840 0.383 0.000 0.752 173 L CB -0.865 41.396 42.059 0.337 0.000 0.899 173 L HN 0.413 nan 8.230 nan 0.000 0.433 174 A N -0.960 121.955 122.820 0.158 0.000 1.969 174 A HA -0.059 4.260 4.320 -0.000 0.000 0.218 174 A C 2.455 180.074 177.584 0.058 0.000 1.169 174 A CA 1.424 53.525 52.037 0.105 0.000 0.635 174 A CB -0.733 18.340 19.000 0.120 0.000 0.810 174 A HN 0.367 nan 8.150 nan 0.000 0.445 175 A N -1.664 121.191 122.820 0.058 0.000 2.015 175 A HA 0.347 4.667 4.320 -0.000 0.000 0.219 175 A C 1.796 179.453 177.584 0.122 0.000 1.163 175 A CA 1.667 53.763 52.037 0.097 0.000 0.646 175 A CB -0.725 18.361 19.000 0.142 0.000 0.806 175 A HN 1.895 nan 8.150 nan 0.000 0.448 176 G N -2.727 106.172 108.800 0.165 0.000 2.155 176 G HA2 -0.106 3.854 3.960 -0.000 0.000 0.135 176 G HA3 -0.106 3.854 3.960 -0.000 0.000 0.135 176 G C -0.156 175.055 174.900 0.518 0.000 1.023 176 G CA -0.272 44.941 45.100 0.188 0.000 0.688 176 G HN 0.620 nan 8.290 nan 0.000 0.499 177 C N 0.660 120.223 119.300 0.438 0.000 2.454 177 C HA 0.886 5.346 4.460 -0.000 0.000 0.336 177 C C -1.838 173.216 174.990 0.106 0.000 1.189 177 C CA -1.375 57.741 59.018 0.163 0.000 1.877 177 C CB 1.914 29.669 27.740 0.026 0.000 2.348 177 C HN 0.402 nan 8.230 nan 0.000 0.508 178 P HA 0.685 nan 4.420 nan 0.000 0.283 178 P C -1.169 176.027 177.300 -0.173 0.000 1.278 178 P CA -0.538 62.434 63.100 -0.214 0.000 0.834 178 P CB 1.030 32.618 31.700 -0.187 0.000 1.150 179 I N -0.160 120.307 120.570 -0.171 0.000 2.644 179 I HA 0.298 4.468 4.170 -0.000 0.000 0.291 179 I C -1.532 174.527 176.117 -0.098 0.000 1.180 179 I CA -1.113 60.121 61.300 -0.109 0.000 1.040 179 I CB 1.955 39.910 38.000 -0.075 0.000 1.255 179 I HN -0.084 nan 8.210 nan 0.000 0.422 180 V N 7.732 127.605 119.914 -0.067 0.000 2.347 180 V HA 0.406 4.526 4.120 -0.000 0.000 0.280 180 V C -0.254 175.832 176.094 -0.013 0.000 1.021 180 V CA -0.548 61.720 62.300 -0.052 0.000 0.847 180 V CB 1.368 33.158 31.823 -0.055 0.000 0.990 180 V HN 0.409 nan 8.190 nan 0.000 0.444 181 V N 5.229 125.143 119.914 0.001 0.000 2.417 181 V HA 0.464 4.584 4.120 -0.000 0.000 0.291 181 V C 0.077 176.198 176.094 0.046 0.000 1.024 181 V CA -0.801 61.519 62.300 0.034 0.000 0.861 181 V CB 1.828 33.679 31.823 0.047 0.000 0.985 181 V HN 0.811 nan 8.190 nan 0.000 0.436 182 K N 7.456 127.892 120.400 0.060 0.000 2.404 182 K HA 0.463 4.782 4.320 -0.000 0.000 0.257 182 K C -2.632 174.022 176.600 0.091 0.000 1.026 182 K CA -1.725 54.605 56.287 0.071 0.000 0.951 182 K CB 2.110 34.648 32.500 0.064 0.000 1.203 182 K HN 0.410 nan 8.250 nan 0.000 0.446 183 P HA 0.113 nan 4.420 nan 0.000 0.279 183 P C -0.784 176.589 177.300 0.121 0.000 1.282 183 P CA -0.511 62.652 63.100 0.104 0.000 0.788 183 P CB 0.546 32.303 31.700 0.096 0.000 1.139 184 A N 1.114 124.021 122.820 0.145 0.000 2.492 184 A HA 0.072 4.392 4.320 -0.000 0.000 0.254 184 A C 1.455 179.135 177.584 0.161 0.000 1.091 184 A CA -0.245 51.904 52.037 0.187 0.000 0.768 184 A CB -0.327 18.848 19.000 0.291 0.000 1.028 184 A HN 0.513 nan 8.150 nan 0.000 0.498 185 E N 2.171 122.462 120.200 0.151 0.000 2.209 185 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 185 E C 1.757 178.484 176.600 0.212 0.000 0.993 185 E CA 1.517 58.033 56.400 0.192 0.000 0.819 185 E CB -0.452 29.267 29.700 0.032 0.000 0.745 185 E HN 0.642 nan 8.360 nan 0.000 0.477 186 S N 0.466 116.247 115.700 0.134 0.000 2.496 186 S HA -0.037 4.432 4.470 -0.000 0.000 0.224 186 S C 0.868 175.504 174.600 0.060 0.000 0.996 186 S CA 1.026 59.273 58.200 0.078 0.000 0.927 186 S CB 0.038 63.212 63.200 -0.044 0.000 0.774 186 S HN 0.367 nan 8.310 nan 0.000 0.524 187 T N -0.404 114.199 114.554 0.082 0.000 3.583 187 T HA 0.422 4.771 4.350 -0.000 0.000 0.266 187 T C -2.427 172.277 174.700 0.006 0.000 1.296 187 T CA -0.960 61.180 62.100 0.066 0.000 1.668 187 T CB 1.454 70.419 68.868 0.162 0.000 0.832 187 T HN 0.078 nan 8.240 nan 0.000 0.649 188 P HA 0.230 nan 4.420 nan 0.000 0.245 188 P C 0.834 178.038 177.300 -0.161 0.000 1.203 188 P CA -0.123 62.863 63.100 -0.191 0.000 0.792 188 P CB -0.149 31.355 31.700 -0.326 0.000 0.997 189 F N 0.415 120.378 119.950 0.022 0.000 2.407 189 F HA 0.001 4.528 4.527 -0.000 0.000 0.299 189 F C 2.431 178.253 175.800 0.037 0.000 1.097 189 F CA 0.990 58.984 58.000 -0.011 0.000 1.422 189 F CB -1.145 37.817 39.000 -0.064 0.000 1.067 189 F HN -0.093 nan 8.300 nan 0.000 0.539 190 S N -0.025 115.805 115.700 0.216 0.000 2.377 190 S HA -0.052 4.417 4.470 -0.000 0.000 0.223 190 S C 2.434 177.146 174.600 0.188 0.000 1.030 190 S CA 0.827 59.139 58.200 0.185 0.000 0.970 190 S CB -0.598 62.700 63.200 0.164 0.000 0.830 190 S HN 0.328 nan 8.310 nan 0.000 0.473 191 A N 1.923 124.844 122.820 0.168 0.000 1.873 191 A HA -0.094 4.226 4.320 -0.000 0.000 0.218 191 A C 2.114 179.820 177.584 0.203 0.000 1.193 191 A CA 1.419 53.559 52.037 0.172 0.000 0.629 191 A CB -0.932 18.147 19.000 0.132 0.000 0.826 191 A HN 0.448 nan 8.150 nan 0.000 0.447 192 L N -0.982 120.367 121.223 0.209 0.000 2.046 192 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 192 L C 3.109 180.172 176.870 0.321 0.000 1.077 192 L CA 1.028 56.041 54.840 0.288 0.000 0.747 192 L CB -0.605 41.620 42.059 0.277 0.000 0.896 192 L HN 0.458 nan 8.230 nan 0.000 0.432 193 A N -0.419 122.552 122.820 0.251 0.000 1.902 193 A HA -0.228 4.092 4.320 -0.000 0.000 0.217 193 A C 2.309 180.091 177.584 0.330 0.000 1.181 193 A CA 1.747 53.938 52.037 0.257 0.000 0.623 193 A CB -0.435 18.675 19.000 0.184 0.000 0.818 193 A HN 0.344 nan 8.150 nan 0.000 0.443 194 M N -0.957 118.833 119.600 0.317 0.000 2.254 194 M HA -0.051 4.428 4.480 -0.000 0.000 0.265 194 M C 2.462 178.988 176.300 0.376 0.000 1.066 194 M CA 0.996 56.558 55.300 0.436 0.000 1.123 194 M CB -0.242 32.632 32.600 0.458 0.000 1.388 194 M HN 0.504 nan 8.290 nan 0.000 0.425 195 A N 0.227 123.175 122.820 0.212 0.000 1.883 195 A HA -0.235 4.085 4.320 -0.000 0.000 0.217 195 A C 1.910 179.433 177.584 -0.102 0.000 1.186 195 A CA 1.565 53.574 52.037 -0.047 0.000 0.624 195 A CB -1.055 17.891 19.000 -0.090 0.000 0.822 195 A HN 0.542 nan 8.150 nan 0.000 0.444 196 F N 0.528 120.526 119.950 0.080 0.000 2.134 196 F HA -0.124 4.403 4.527 -0.000 0.000 0.299 196 F C 1.876 177.711 175.800 0.058 0.000 1.097 196 F CA 1.542 59.647 58.000 0.175 0.000 1.264 196 F CB -0.350 38.727 39.000 0.128 0.000 1.001 196 F HN 0.141 nan 8.300 nan 0.000 0.479 197 L N -0.380 120.858 121.223 0.025 0.000 2.093 197 L HA -0.144 4.195 4.340 -0.000 0.000 0.208 197 L C 2.776 179.584 176.870 -0.104 0.000 1.085 197 L CA 1.050 55.881 54.840 -0.015 0.000 0.755 197 L CB -1.145 41.090 42.059 0.294 0.000 0.904 197 L HN 0.216 nan 8.230 nan 0.000 0.435 198 A N -0.201 122.406 122.820 -0.355 0.000 1.933 198 A HA -0.269 4.051 4.320 -0.000 0.000 0.218 198 A C 2.270 179.616 177.584 -0.397 0.000 1.175 198 A CA 1.896 53.466 52.037 -0.779 0.000 0.628 198 A CB -0.512 17.784 19.000 -1.173 0.000 0.814 198 A HN 0.486 nan 8.150 nan 0.000 0.444 199 E N -0.444 119.573 120.200 -0.305 0.000 2.051 199 E HA -0.224 4.126 4.350 -0.000 0.000 0.192 199 E C 2.283 178.794 176.600 -0.148 0.000 0.991 199 E CA 1.072 57.371 56.400 -0.167 0.000 0.799 199 E CB -0.177 29.465 29.700 -0.098 0.000 0.748 199 E HN 0.545 nan 8.360 nan 0.000 0.449 200 R N -0.353 120.001 120.500 -0.243 0.000 2.148 200 R HA -0.043 4.297 4.340 -0.000 0.000 0.227 200 R C 2.077 178.320 176.300 -0.094 0.000 1.103 200 R CA 0.858 56.835 56.100 -0.205 0.000 0.983 200 R CB -0.084 30.015 30.300 -0.335 0.000 0.874 200 R HN 0.185 nan 8.270 nan 0.000 0.451 201 A N -0.503 122.269 122.820 -0.080 0.000 2.066 201 A HA 0.079 4.398 4.320 -0.000 0.000 0.218 201 A C 1.356 178.949 177.584 0.015 0.000 1.157 201 A CA 1.294 53.335 52.037 0.007 0.000 0.670 201 A CB -0.025 19.008 19.000 0.055 0.000 0.804 201 A HN 0.483 nan 8.150 nan 0.000 0.453 202 G N -2.043 106.743 108.800 -0.024 0.000 2.143 202 G HA2 -0.118 3.841 3.960 -0.000 0.000 0.175 202 G HA3 -0.118 3.841 3.960 -0.000 0.000 0.175 202 G C 0.032 174.937 174.900 0.008 0.000 1.004 202 G CA -0.118 44.989 45.100 0.011 0.000 0.671 202 G HN 0.696 nan 8.290 nan 0.000 0.512 203 V N 2.403 122.269 119.914 -0.080 0.000 2.450 203 V HA 0.254 4.374 4.120 -0.000 0.000 0.281 203 V C -0.966 175.036 176.094 -0.154 0.000 1.019 203 V CA -0.604 61.590 62.300 -0.177 0.000 1.062 203 V CB 0.678 32.292 31.823 -0.349 0.000 0.979 203 V HN 0.225 nan 8.190 nan 0.000 0.477 204 P HA 0.179 nan 4.420 nan 0.000 0.266 204 P C 0.070 177.282 177.300 -0.146 0.000 1.193 204 P CA 0.102 63.156 63.100 -0.078 0.000 0.770 204 P CB 0.314 32.014 31.700 0.001 0.000 0.836 205 K N 1.490 121.831 120.400 -0.099 0.000 2.448 205 K HA 0.405 4.724 4.320 -0.000 0.000 0.278 205 K C 1.437 177.925 176.600 -0.186 0.000 1.009 205 K CA 0.218 56.414 56.287 -0.151 0.000 0.995 205 K CB -1.108 31.321 32.500 -0.118 0.000 0.917 205 K HN 0.924 nan 8.250 nan 0.000 0.481 206 G N 0.034 108.677 108.800 -0.262 0.000 2.268 206 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.240 206 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.240 206 G C 1.442 176.195 174.900 -0.246 0.000 1.010 206 G CA 0.687 45.649 45.100 -0.230 0.000 0.618 206 G HN 1.112 nan 8.290 nan 0.000 0.516 207 V N 0.271 119.994 119.914 -0.318 0.000 2.358 207 V HA 0.224 4.344 4.120 -0.000 0.000 0.246 207 V C 1.223 177.074 176.094 -0.404 0.000 1.047 207 V CA 2.089 64.104 62.300 -0.476 0.000 1.035 207 V CB -0.111 31.177 31.823 -0.892 0.000 0.658 207 V HN 0.661 nan 8.190 nan 0.000 0.452 208 L N -0.474 120.550 121.223 -0.331 0.000 2.381 208 L HA 0.656 4.996 4.340 -0.000 0.000 0.274 208 L C -0.586 176.178 176.870 -0.176 0.000 0.988 208 L CA 0.269 54.973 54.840 -0.227 0.000 0.824 208 L CB 2.027 43.949 42.059 -0.230 0.000 1.263 208 L HN -0.031 nan 8.230 nan 0.000 0.410 209 S N 3.342 118.953 115.700 -0.148 0.000 2.526 209 S HA 0.798 5.267 4.470 -0.000 0.000 0.293 209 S C -1.152 173.429 174.600 -0.032 0.000 1.092 209 S CA -0.591 57.519 58.200 -0.150 0.000 0.980 209 S CB 2.092 65.167 63.200 -0.207 0.000 1.048 209 S HN 0.427 nan 8.310 nan 0.000 0.483 210 V N 3.217 123.147 119.914 0.027 0.000 2.378 210 V HA 0.448 4.567 4.120 -0.000 0.000 0.288 210 V C -0.560 175.561 176.094 0.045 0.000 1.016 210 V CA -0.634 61.700 62.300 0.056 0.000 0.840 210 V CB 1.457 33.342 31.823 0.104 0.000 0.994 210 V HN 0.692 nan 8.190 nan 0.000 0.431 211 V N 6.742 126.677 119.914 0.036 0.000 2.394 211 V HA 0.564 4.684 4.120 -0.000 0.000 0.282 211 V C -0.244 175.890 176.094 0.066 0.000 1.031 211 V CA -0.415 61.907 62.300 0.037 0.000 0.881 211 V CB 1.660 33.494 31.823 0.018 0.000 0.982 211 V HN 0.693 nan 8.190 nan 0.000 0.451 212 I N 3.744 124.364 120.570 0.084 0.000 2.465 212 I HA 0.901 5.070 4.170 -0.000 0.000 0.291 212 I C 0.605 176.826 176.117 0.174 0.000 1.014 212 I CA 0.272 61.648 61.300 0.126 0.000 1.093 212 I CB 1.977 40.037 38.000 0.100 0.000 1.267 212 I HN 0.884 nan 8.210 nan 0.000 0.431 213 G N 3.983 112.911 108.800 0.215 0.000 2.441 213 G HA2 0.019 3.979 3.960 -0.000 0.000 0.222 213 G HA3 0.019 3.979 3.960 -0.000 0.000 0.222 213 G C -1.675 173.227 174.900 0.002 0.000 1.254 213 G CA -0.786 44.420 45.100 0.177 0.000 0.959 213 G HN 0.478 nan 8.290 nan 0.000 0.474 214 D N 2.025 122.406 120.400 -0.032 0.000 2.363 214 D HA 0.346 4.986 4.640 -0.000 0.000 0.263 214 D C -0.381 175.889 176.300 -0.049 0.000 1.258 214 D CA -1.557 52.395 54.000 -0.081 0.000 0.907 214 D CB 1.479 42.246 40.800 -0.055 0.000 1.107 214 D HN 0.016 nan 8.370 nan 0.000 0.495 215 P HA -0.257 nan 4.420 nan 0.000 0.216 215 P C 1.202 178.487 177.300 -0.026 0.000 1.157 215 P CA 2.209 65.294 63.100 -0.025 0.000 0.880 215 P CB 0.051 31.736 31.700 -0.024 0.000 0.791 216 K N 0.061 120.439 120.400 -0.036 0.000 2.097 216 K HA 0.039 4.358 4.320 -0.000 0.000 0.205 216 K C 2.344 178.926 176.600 -0.030 0.000 1.050 216 K CA 1.803 58.069 56.287 -0.035 0.000 0.938 216 K CB -1.568 30.910 32.500 -0.036 0.000 0.718 216 K HN 0.242 nan 8.250 nan 0.000 0.442 217 A N 0.781 123.585 122.820 -0.026 0.000 1.872 217 A HA 0.111 4.430 4.320 -0.000 0.000 0.214 217 A C 2.454 180.029 177.584 -0.015 0.000 1.187 217 A CA 1.411 53.436 52.037 -0.019 0.000 0.614 217 A CB -0.237 18.754 19.000 -0.015 0.000 0.826 217 A HN 0.458 nan 8.150 nan 0.000 0.442 218 I N -0.199 120.365 120.570 -0.010 0.000 2.202 218 I HA -0.163 4.007 4.170 -0.000 0.000 0.242 218 I C 2.746 178.857 176.117 -0.011 0.000 1.091 218 I CA 1.118 62.416 61.300 -0.004 0.000 1.368 218 I CB -0.750 37.256 38.000 0.010 0.000 1.058 218 I HN 0.377 nan 8.210 nan 0.000 0.410 219 G N 0.307 109.098 108.800 -0.015 0.000 2.469 219 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 219 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 219 G C 1.669 176.546 174.900 -0.038 0.000 1.150 219 G CA 1.606 46.689 45.100 -0.029 0.000 0.763 219 G HN 0.299 nan 8.290 nan 0.000 0.561 220 T N 0.342 114.875 114.554 -0.035 0.000 2.867 220 T HA -0.029 4.320 4.350 -0.000 0.000 0.268 220 T C 2.196 176.879 174.700 -0.029 0.000 1.057 220 T CA 1.531 63.610 62.100 -0.035 0.000 1.136 220 T CB -0.041 68.808 68.868 -0.031 0.000 0.874 220 T HN 0.418 nan 8.240 nan 0.000 0.466 221 E N 1.403 121.588 120.200 -0.024 0.000 2.047 221 E HA -0.028 4.322 4.350 -0.000 0.000 0.191 221 E C 2.006 178.591 176.600 -0.024 0.000 0.987 221 E CA 1.042 57.429 56.400 -0.021 0.000 0.799 221 E CB -0.605 29.084 29.700 -0.018 0.000 0.752 221 E HN 0.479 nan 8.360 nan 0.000 0.449 222 I N 0.767 121.323 120.570 -0.024 0.000 2.151 222 I HA -0.350 3.820 4.170 -0.000 0.000 0.243 222 I C 2.388 178.486 176.117 -0.031 0.000 1.080 222 I CA 2.059 63.343 61.300 -0.026 0.000 1.339 222 I CB -0.603 37.386 38.000 -0.019 0.000 1.039 222 I HN 0.362 nan 8.210 nan 0.000 0.409 223 T N -2.754 111.778 114.554 -0.036 0.000 2.985 223 T HA -0.054 4.295 4.350 -0.000 0.000 0.266 223 T C 1.805 176.484 174.700 -0.034 0.000 1.076 223 T CA 0.985 63.061 62.100 -0.041 0.000 1.135 223 T CB -0.352 68.484 68.868 -0.054 0.000 0.890 223 T HN 0.443 nan 8.240 nan 0.000 0.480 224 S N 0.757 116.438 115.700 -0.030 0.000 2.478 224 S HA 0.125 4.595 4.470 -0.000 0.000 0.222 224 S C 0.963 175.550 174.600 -0.021 0.000 1.008 224 S CA -0.427 57.758 58.200 -0.025 0.000 0.928 224 S CB -0.623 62.563 63.200 -0.023 0.000 0.781 224 S HN 0.406 nan 8.310 nan 0.000 0.518 225 N N 3.421 122.107 118.700 -0.023 0.000 2.452 225 N HA 0.233 4.973 4.740 -0.000 0.000 0.266 225 N C -2.163 173.335 175.510 -0.020 0.000 1.175 225 N CA -1.556 51.482 53.050 -0.020 0.000 0.945 225 N CB 1.455 39.928 38.487 -0.023 0.000 1.063 225 N HN 0.063 nan 8.380 nan 0.000 0.472 226 P HA 0.039 nan 4.420 nan 0.000 0.229 226 P C 1.359 178.652 177.300 -0.011 0.000 1.160 226 P CA 0.676 63.769 63.100 -0.011 0.000 0.777 226 P CB 0.388 32.086 31.700 -0.002 0.000 0.814 227 I N -1.201 119.361 120.570 -0.014 0.000 2.226 227 I HA -0.130 4.040 4.170 -0.000 0.000 0.245 227 I C 0.638 176.725 176.117 -0.051 0.000 1.100 227 I CA 0.807 62.096 61.300 -0.019 0.000 1.374 227 I CB -0.664 37.326 38.000 -0.016 0.000 1.057 227 I HN -0.259 nan 8.210 nan 0.000 0.413 228 V N 3.000 122.883 119.914 -0.052 0.000 2.425 228 V HA -0.035 4.085 4.120 -0.000 0.000 0.276 228 V C 1.311 177.368 176.094 -0.062 0.000 1.017 228 V CA 0.680 62.941 62.300 -0.065 0.000 1.062 228 V CB 0.180 31.973 31.823 -0.049 0.000 0.997 228 V HN 0.324 nan 8.190 nan 0.000 0.476 229 R N 3.163 123.613 120.500 -0.085 0.000 2.308 229 R HA 0.185 4.525 4.340 -0.000 0.000 0.202 229 R C 0.414 176.672 176.300 -0.069 0.000 0.898 229 R CA 0.101 56.159 56.100 -0.070 0.000 1.046 229 R CB 0.487 30.739 30.300 -0.081 0.000 1.026 229 R HN 0.796 nan 8.270 nan 0.000 0.512 230 K N 0.013 120.367 120.400 -0.076 0.000 2.546 230 K HA 0.350 4.669 4.320 -0.000 0.000 0.264 230 K C -1.862 174.703 176.600 -0.058 0.000 0.937 230 K CA -0.935 55.303 56.287 -0.081 0.000 0.833 230 K CB 1.780 34.204 32.500 -0.127 0.000 1.378 230 K HN -0.106 nan 8.250 nan 0.000 0.432 231 L N 1.455 122.648 121.223 -0.051 0.000 2.406 231 L HA 0.529 4.868 4.340 -0.000 0.000 0.272 231 L C -1.354 175.524 176.870 0.014 0.000 0.980 231 L CA -0.018 54.817 54.840 -0.008 0.000 0.831 231 L CB 2.216 44.272 42.059 -0.005 0.000 1.253 231 L HN 0.789 nan 8.230 nan 0.000 0.406 232 S N 4.696 120.431 115.700 0.058 0.000 2.442 232 S HA 0.713 5.183 4.470 -0.000 0.000 0.297 232 S C -1.099 173.608 174.600 0.178 0.000 1.131 232 S CA -0.340 57.915 58.200 0.091 0.000 1.092 232 S CB 0.271 63.541 63.200 0.117 0.000 0.998 232 S HN 0.499 nan 8.310 nan 0.000 0.478 233 F N 3.425 123.379 119.950 0.006 0.000 2.556 233 F HA 0.632 5.159 4.527 -0.000 0.000 0.314 233 F C -0.709 175.101 175.800 0.017 0.000 1.106 233 F CA -0.311 57.696 58.000 0.010 0.000 0.911 233 F CB 2.104 41.107 39.000 0.005 0.000 1.190 233 F HN 0.416 nan 8.300 nan 0.000 0.448 234 T N 4.485 118.439 114.554 -1.001 0.000 2.890 234 T HA 0.766 5.116 4.350 -0.000 0.000 0.295 234 T C -0.169 173.794 174.700 -1.229 0.000 0.993 234 T CA -0.199 61.364 62.100 -0.894 0.000 0.979 234 T CB 1.077 69.727 68.868 -0.364 0.000 0.967 234 T HN 1.123 nan 8.240 nan 0.000 0.441 235 G N 1.988 110.165 108.800 -1.038 0.000 2.498 235 G HA2 0.470 4.430 3.960 -0.000 0.000 0.181 235 G HA3 0.470 4.430 3.960 -0.000 0.000 0.181 235 G C -0.518 174.338 174.900 -0.074 0.000 1.169 235 G CA -0.171 44.671 45.100 -0.431 0.000 0.992 235 G HN 0.908 nan 8.290 nan 0.000 0.490 236 S N -0.303 115.466 115.700 0.115 0.000 2.585 236 S HA 0.421 4.891 4.470 -0.000 0.000 0.273 236 S C 1.323 176.052 174.600 0.216 0.000 1.339 236 S CA 1.120 59.377 58.200 0.096 0.000 1.028 236 S CB 1.279 64.512 63.200 0.056 0.000 0.906 236 S HN 0.755 nan 8.310 nan 0.000 0.528 237 T N 2.618 117.276 114.554 0.173 0.000 2.788 237 T HA -0.066 4.283 4.350 -0.000 0.000 0.268 237 T C 2.148 176.955 174.700 0.179 0.000 1.044 237 T CA 1.551 63.793 62.100 0.236 0.000 1.139 237 T CB -0.815 68.295 68.868 0.404 0.000 0.867 237 T HN 0.840 nan 8.240 nan 0.000 0.454 238 A N 0.972 123.878 122.820 0.142 0.000 1.877 238 A HA -0.054 4.265 4.320 -0.000 0.000 0.216 238 A C 2.577 180.183 177.584 0.038 0.000 1.186 238 A CA 1.416 53.504 52.037 0.085 0.000 0.620 238 A CB -0.991 18.051 19.000 0.069 0.000 0.822 238 A HN 0.361 nan 8.150 nan 0.000 0.443 239 V N -0.012 119.928 119.914 0.043 0.000 2.427 239 V HA -0.151 3.969 4.120 -0.000 0.000 0.248 239 V C 2.820 178.760 176.094 -0.257 0.000 1.051 239 V CA 1.778 64.024 62.300 -0.090 0.000 1.048 239 V CB -1.497 30.297 31.823 -0.048 0.000 0.666 239 V HN 0.622 nan 8.190 nan 0.000 0.456 240 G N 0.171 108.928 108.800 -0.071 0.000 2.476 240 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.218 240 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.218 240 G C 1.733 176.599 174.900 -0.057 0.000 1.164 240 G CA 0.960 46.039 45.100 -0.036 0.000 0.768 240 G HN 0.451 nan 8.290 nan 0.000 0.560 241 R N -0.059 120.434 120.500 -0.012 0.000 2.120 241 R HA 0.038 4.378 4.340 -0.000 0.000 0.234 241 R C 2.603 178.870 176.300 -0.055 0.000 1.123 241 R CA 1.063 57.151 56.100 -0.020 0.000 0.975 241 R CB -0.391 29.910 30.300 0.002 0.000 0.866 241 R HN 0.402 nan 8.270 nan 0.000 0.446 242 L N 0.035 121.207 121.223 -0.086 0.000 2.044 242 L HA -0.105 4.235 4.340 -0.000 0.000 0.205 242 L C 2.276 179.075 176.870 -0.118 0.000 1.075 242 L CA 1.073 55.858 54.840 -0.093 0.000 0.747 242 L CB -0.636 41.364 42.059 -0.098 0.000 0.903 242 L HN 0.128 nan 8.230 nan 0.000 0.435 243 L N -0.444 120.666 121.223 -0.188 0.000 2.083 243 L HA -0.220 4.119 4.340 -0.000 0.000 0.209 243 L C 2.735 179.536 176.870 -0.116 0.000 1.083 243 L CA 1.382 56.107 54.840 -0.192 0.000 0.752 243 L CB -0.366 41.493 42.059 -0.333 0.000 0.899 243 L HN 0.345 nan 8.230 nan 0.000 0.433 244 M N -0.499 119.046 119.600 -0.092 0.000 2.229 244 M HA -0.181 4.298 4.480 -0.000 0.000 0.264 244 M C 2.299 178.570 176.300 -0.047 0.000 1.063 244 M CA 1.795 57.063 55.300 -0.054 0.000 1.114 244 M CB -0.031 32.548 32.600 -0.034 0.000 1.387 244 M HN 0.284 nan 8.290 nan 0.000 0.420 245 A N 0.037 122.826 122.820 -0.052 0.000 1.873 245 A HA -0.195 4.125 4.320 -0.000 0.000 0.215 245 A C 1.899 179.456 177.584 -0.043 0.000 1.186 245 A CA 1.565 53.576 52.037 -0.042 0.000 0.616 245 A CB -0.757 18.219 19.000 -0.040 0.000 0.823 245 A HN 0.658 nan 8.150 nan 0.000 0.442 246 Q N -0.186 119.581 119.800 -0.055 0.000 2.181 246 Q HA -0.106 4.233 4.340 -0.000 0.000 0.205 246 Q C 2.108 178.081 176.000 -0.045 0.000 0.980 246 Q CA 1.645 57.417 55.803 -0.051 0.000 0.862 246 Q CB -0.183 28.517 28.738 -0.064 0.000 0.905 246 Q HN 0.595 nan 8.270 nan 0.000 0.429 247 S N 0.249 115.921 115.700 -0.048 0.000 2.527 247 S HA 0.058 4.527 4.470 -0.000 0.000 0.222 247 S C 1.841 176.422 174.600 -0.032 0.000 0.985 247 S CA 0.465 58.641 58.200 -0.040 0.000 0.921 247 S CB 0.090 63.264 63.200 -0.043 0.000 0.772 247 S HN 0.432 nan 8.310 nan 0.000 0.529 248 A N 2.597 125.399 122.820 -0.030 0.000 1.933 248 A HA -0.003 4.317 4.320 -0.000 0.000 0.218 248 A C -0.159 177.413 177.584 -0.020 0.000 1.175 248 A CA 1.140 53.163 52.037 -0.024 0.000 0.628 248 A CB -1.693 17.293 19.000 -0.023 0.000 0.814 248 A HN 0.369 nan 8.150 nan 0.000 0.444 249 P HA -0.062 nan 4.420 nan 0.000 0.225 249 P C 0.949 178.241 177.300 -0.013 0.000 1.148 249 P CA 1.786 64.876 63.100 -0.016 0.000 0.779 249 P CB -0.021 31.669 31.700 -0.016 0.000 0.780 250 T N -5.970 108.575 114.554 -0.016 0.000 3.200 250 T HA 0.199 4.549 4.350 -0.000 0.000 0.284 250 T C 0.476 175.167 174.700 -0.014 0.000 1.009 250 T CA -0.350 61.742 62.100 -0.013 0.000 0.907 250 T CB -0.760 68.099 68.868 -0.015 0.000 1.120 250 T HN -0.186 nan 8.240 nan 0.000 0.534 251 V N 0.911 120.815 119.914 -0.015 0.000 5.325 251 V HA -0.246 3.874 4.120 -0.000 0.000 0.291 251 V C 0.566 176.648 176.094 -0.019 0.000 0.541 251 V CA 0.940 63.231 62.300 -0.015 0.000 0.687 251 V CB -2.221 29.596 31.823 -0.008 0.000 0.491 251 V HN 0.712 nan 8.190 nan 0.000 1.145 252 K N 0.381 120.766 120.400 -0.025 0.000 2.414 252 K HA 0.236 4.556 4.320 -0.000 0.000 0.272 252 K C 0.444 177.022 176.600 -0.037 0.000 0.993 252 K CA -0.413 55.854 56.287 -0.033 0.000 0.964 252 K CB 0.564 33.041 32.500 -0.037 0.000 0.925 252 K HN 0.362 nan 8.250 nan 0.000 0.487 253 K N 3.063 123.433 120.400 -0.048 0.000 2.383 253 K HA 0.070 4.390 4.320 -0.000 0.000 0.286 253 K C -0.860 175.696 176.600 -0.074 0.000 1.051 253 K CA -0.136 56.114 56.287 -0.061 0.000 0.974 253 K CB 0.320 32.773 32.500 -0.078 0.000 0.968 253 K HN 0.239 nan 8.250 nan 0.000 0.475 254 L N 4.318 125.506 121.223 -0.057 0.000 2.307 254 L HA 0.415 4.755 4.340 -0.000 0.000 0.284 254 L C -0.336 176.506 176.870 -0.047 0.000 1.023 254 L CA -0.248 54.568 54.840 -0.041 0.000 0.810 254 L CB 1.484 43.535 42.059 -0.013 0.000 1.231 254 L HN 0.744 nan 8.230 nan 0.000 0.423 255 T N 5.198 119.727 114.554 -0.041 0.000 2.770 255 T HA 0.652 5.002 4.350 -0.000 0.000 0.283 255 T C -0.021 174.712 174.700 0.055 0.000 0.988 255 T CA -0.310 61.780 62.100 -0.016 0.000 0.957 255 T CB 0.850 69.688 68.868 -0.050 0.000 0.930 255 T HN 0.260 nan 8.240 nan 0.000 0.443 256 L N 3.553 124.816 121.223 0.065 0.000 2.342 256 L HA 0.433 4.772 4.340 -0.000 0.000 0.276 256 L C 0.068 176.979 176.870 0.068 0.000 0.997 256 L CA -0.772 54.140 54.840 0.120 0.000 0.838 256 L CB 1.533 43.677 42.059 0.143 0.000 1.224 256 L HN 0.480 nan 8.230 nan 0.000 0.416 257 E N 5.689 125.903 120.200 0.022 0.000 2.035 257 E HA 0.434 4.784 4.350 -0.000 0.000 0.271 257 E C -0.448 176.134 176.600 -0.030 0.000 0.953 257 E CA -0.217 56.183 56.400 0.001 0.000 0.777 257 E CB 1.918 31.621 29.700 0.005 0.000 1.104 257 E HN 0.503 nan 8.360 nan 0.000 0.408 258 L N 0.341 121.587 121.223 0.037 0.000 2.805 258 L HA 0.555 4.895 4.340 -0.000 0.000 0.242 258 L C 1.181 178.075 176.870 0.040 0.000 1.180 258 L CA -1.174 53.710 54.840 0.073 0.000 1.001 258 L CB 0.247 42.403 42.059 0.163 0.000 1.864 258 L HN 0.402 nan 8.230 nan 0.000 0.551 259 G N -1.249 107.566 108.800 0.025 0.000 2.569 259 G HA2 0.463 4.422 3.960 -0.000 0.000 0.249 259 G HA3 0.463 4.422 3.960 -0.000 0.000 0.249 259 G C -0.191 174.589 174.900 -0.200 0.000 1.216 259 G CA 0.191 45.215 45.100 -0.128 0.000 0.845 259 G HN 0.710 nan 8.290 nan 0.000 0.568 260 G N -1.021 107.658 108.800 -0.201 0.000 2.828 260 G HA2 0.459 4.419 3.960 -0.000 0.000 0.244 260 G HA3 0.459 4.419 3.960 -0.000 0.000 0.244 260 G C -0.129 174.681 174.900 -0.149 0.000 1.365 260 G CA -0.467 44.575 45.100 -0.096 0.000 1.041 260 G HN 0.740 nan 8.290 nan 0.000 0.560 261 N N -1.436 117.303 118.700 0.066 0.000 2.898 261 N HA 0.149 4.889 4.740 -0.000 0.000 0.203 261 N C -0.108 175.495 175.510 0.156 0.000 1.276 261 N CA 0.055 53.175 53.050 0.117 0.000 1.743 261 N CB -0.017 38.618 38.487 0.246 0.000 1.505 261 N HN 0.739 nan 8.380 nan 0.000 0.636 262 A N 1.681 124.553 122.820 0.087 0.000 2.546 262 A HA 0.396 4.715 4.320 -0.000 0.000 0.243 262 A C -2.259 175.314 177.584 -0.019 0.000 1.063 262 A CA -0.216 51.833 52.037 0.021 0.000 0.757 262 A CB -0.141 18.912 19.000 0.089 0.000 0.991 262 A HN 0.251 nan 8.150 nan 0.000 0.503 263 P HA 0.394 nan 4.420 nan 0.000 0.300 263 P C -1.122 176.190 177.300 0.020 0.000 1.326 263 P CA -0.267 62.823 63.100 -0.017 0.000 0.844 263 P CB 0.865 32.513 31.700 -0.088 0.000 0.992 264 F N 4.601 124.471 119.950 -0.134 0.000 2.388 264 F HA 0.523 5.049 4.527 -0.000 0.000 0.358 264 F C -0.521 175.299 175.800 0.034 0.000 1.122 264 F CA -0.792 57.164 58.000 -0.073 0.000 1.056 264 F CB 0.653 39.392 39.000 -0.436 0.000 1.155 264 F HN 0.133 nan 8.300 nan 0.000 0.461 265 I N 7.135 127.656 120.570 -0.081 0.000 2.355 265 I HA 0.311 4.481 4.170 -0.000 0.000 0.288 265 I C -1.054 175.079 176.117 0.027 0.000 0.999 265 I CA -0.804 60.471 61.300 -0.041 0.000 1.163 265 I CB 1.643 39.516 38.000 -0.212 0.000 1.316 265 I HN 0.242 nan 8.210 nan 0.000 0.454 266 V N 7.040 127.016 119.914 0.104 0.000 2.313 266 V HA 0.358 4.478 4.120 -0.000 0.000 0.278 266 V C -0.225 175.964 176.094 0.159 0.000 1.017 266 V CA -0.537 61.811 62.300 0.081 0.000 0.823 266 V CB 0.654 32.327 31.823 -0.249 0.000 1.010 266 V HN 0.367 nan 8.190 nan 0.000 0.443 267 F N 2.222 122.300 119.950 0.214 0.000 2.377 267 F HA 0.317 4.844 4.527 -0.000 0.000 0.328 267 F C 1.667 177.537 175.800 0.117 0.000 1.094 267 F CA -0.150 57.958 58.000 0.180 0.000 1.093 267 F CB 1.028 40.098 39.000 0.117 0.000 1.214 267 F HN 0.563 nan 8.300 nan 0.000 0.518 268 D N 1.151 121.766 120.400 0.358 0.000 3.111 268 D HA -0.297 4.343 4.640 -0.000 0.000 0.190 268 D C 1.165 177.609 176.300 0.240 0.000 1.141 268 D CA 2.331 56.549 54.000 0.363 0.000 0.888 268 D CB -0.145 40.821 40.800 0.277 0.000 0.905 268 D HN 0.652 nan 8.370 nan 0.000 0.497 269 D N -1.223 119.302 120.400 0.209 0.000 2.463 269 D HA 0.286 4.926 4.640 -0.000 0.000 0.224 269 D C 0.055 176.453 176.300 0.164 0.000 1.174 269 D CA -0.196 53.893 54.000 0.148 0.000 0.829 269 D CB -0.419 40.434 40.800 0.089 0.000 0.993 269 D HN 0.219 nan 8.370 nan 0.000 0.497 270 A N 0.509 123.456 122.820 0.213 0.000 2.386 270 A HA 0.197 4.516 4.320 -0.000 0.000 0.248 270 A C 0.281 177.988 177.584 0.204 0.000 1.082 270 A CA -0.436 51.746 52.037 0.242 0.000 0.789 270 A CB 0.375 19.546 19.000 0.285 0.000 1.025 270 A HN 0.172 nan 8.150 nan 0.000 0.490 271 D N 2.462 122.995 120.400 0.221 0.000 2.348 271 D HA 0.058 4.697 4.640 -0.000 0.000 0.259 271 D C 0.933 177.342 176.300 0.180 0.000 1.296 271 D CA -0.379 53.730 54.000 0.182 0.000 0.931 271 D CB 0.391 41.299 40.800 0.180 0.000 1.067 271 D HN 0.293 nan 8.370 nan 0.000 0.503 272 L N 3.741 125.059 121.223 0.159 0.000 2.079 272 L HA -0.164 4.175 4.340 -0.000 0.000 0.210 272 L C 1.723 178.676 176.870 0.138 0.000 1.081 272 L CA 1.359 56.308 54.840 0.181 0.000 0.752 272 L CB -0.956 41.209 42.059 0.177 0.000 0.896 272 L HN 0.411 nan 8.230 nan 0.000 0.433 273 D N 0.009 120.468 120.400 0.097 0.000 2.097 273 D HA -0.121 4.519 4.640 -0.000 0.000 0.195 273 D C 2.249 178.595 176.300 0.076 0.000 0.989 273 D CA 1.531 55.568 54.000 0.061 0.000 0.827 273 D CB 0.063 40.896 40.800 0.055 0.000 0.966 273 D HN 0.263 nan 8.370 nan 0.000 0.456 274 A N 0.767 123.661 122.820 0.123 0.000 1.930 274 A HA 0.010 4.330 4.320 -0.000 0.000 0.217 274 A C 2.260 179.905 177.584 0.101 0.000 1.175 274 A CA 1.966 54.112 52.037 0.183 0.000 0.627 274 A CB -0.615 18.556 19.000 0.284 0.000 0.815 274 A HN 0.226 nan 8.150 nan 0.000 0.443 275 A N -0.762 122.002 122.820 -0.092 0.000 1.969 275 A HA 0.062 4.381 4.320 -0.000 0.000 0.218 275 A C 2.202 179.805 177.584 0.031 0.000 1.169 275 A CA 1.601 53.337 52.037 -0.502 0.000 0.635 275 A CB -0.692 18.170 19.000 -0.231 0.000 0.810 275 A HN 0.330 nan 8.150 nan 0.000 0.445 276 V N 0.016 119.974 119.914 0.074 0.000 2.323 276 V HA -0.172 3.948 4.120 -0.000 0.000 0.244 276 V C 3.103 179.176 176.094 -0.036 0.000 1.041 276 V CA 2.472 64.728 62.300 -0.074 0.000 1.025 276 V CB -0.985 30.713 31.823 -0.208 0.000 0.656 276 V HN 0.768 nan 8.190 nan 0.000 0.451 277 E N -0.050 120.166 120.200 0.026 0.000 2.267 277 E HA -0.199 4.151 4.350 -0.000 0.000 0.197 277 E C 2.123 178.795 176.600 0.120 0.000 0.998 277 E CA 1.583 58.023 56.400 0.067 0.000 0.830 277 E CB -1.004 28.755 29.700 0.097 0.000 0.751 277 E HN 0.707 nan 8.360 nan 0.000 0.491 278 G N -0.769 108.141 108.800 0.184 0.000 2.595 278 G HA2 0.284 4.244 3.960 -0.000 0.000 0.213 278 G HA3 0.284 4.244 3.960 -0.000 0.000 0.213 278 G C 1.896 176.886 174.900 0.150 0.000 1.141 278 G CA 1.084 46.386 45.100 0.337 0.000 0.806 278 G HN 0.776 nan 8.290 nan 0.000 0.530 279 A N 1.476 124.223 122.820 -0.121 0.000 1.855 279 A HA 0.072 4.391 4.320 -0.000 0.000 0.215 279 A C 2.282 179.824 177.584 -0.070 0.000 1.191 279 A CA 1.163 52.992 52.037 -0.347 0.000 0.613 279 A CB -0.360 18.452 19.000 -0.314 0.000 0.829 279 A HN 0.214 nan 8.150 nan 0.000 0.442 280 I N 0.212 120.787 120.570 0.008 0.000 2.208 280 I HA -0.273 3.897 4.170 -0.000 0.000 0.245 280 I C 2.846 179.038 176.117 0.124 0.000 1.097 280 I CA 1.645 63.030 61.300 0.142 0.000 1.363 280 I CB -1.526 36.511 38.000 0.062 0.000 1.051 280 I HN 0.376 nan 8.210 nan 0.000 0.413 281 A N 0.237 123.097 122.820 0.066 0.000 2.066 281 A HA -0.103 4.217 4.320 -0.000 0.000 0.218 281 A C 2.309 179.898 177.584 0.009 0.000 1.157 281 A CA 1.677 53.750 52.037 0.060 0.000 0.670 281 A CB -0.448 18.602 19.000 0.083 0.000 0.804 281 A HN 0.554 nan 8.150 nan 0.000 0.453 282 S N -2.036 113.617 115.700 -0.078 0.000 2.523 282 S HA 0.198 4.668 4.470 -0.000 0.000 0.217 282 S C 1.306 175.764 174.600 -0.238 0.000 0.996 282 S CA 0.646 58.716 58.200 -0.216 0.000 0.921 282 S CB 0.266 63.141 63.200 -0.542 0.000 0.829 282 S HN 0.373 nan 8.310 nan 0.000 0.495 283 K N 0.189 120.456 120.400 -0.221 0.000 2.436 283 K HA 0.379 4.699 4.320 -0.000 0.000 0.198 283 K C 0.213 176.508 176.600 -0.507 0.000 1.174 283 K CA 0.384 56.435 56.287 -0.393 0.000 0.951 283 K CB 0.075 32.326 32.500 -0.415 0.000 1.040 283 K HN 0.376 nan 8.250 nan 0.000 0.536 284 Y N -0.080 120.219 120.300 -0.002 0.000 2.500 284 Y HA 0.398 4.947 4.550 -0.000 0.000 0.246 284 Y C 0.053 175.956 175.900 0.006 0.000 1.146 284 Y CA -0.786 57.319 58.100 0.008 0.000 1.230 284 Y CB 0.446 38.911 38.460 0.010 0.000 1.214 284 Y HN -0.174 nan 8.280 nan 0.000 0.526 285 R N 2.204 122.764 120.500 0.099 0.000 2.570 285 R HA -0.002 4.338 4.340 -0.000 0.000 0.277 285 R C 0.620 176.946 176.300 0.044 0.000 1.039 285 R CA 0.459 56.602 56.100 0.071 0.000 1.065 285 R CB -0.298 30.039 30.300 0.062 0.000 0.964 285 R HN 0.306 nan 8.270 nan 0.000 0.428 286 N N 3.403 122.120 118.700 0.029 0.000 2.708 286 N HA -0.358 4.381 4.740 -0.000 0.000 0.249 286 N C -0.938 174.584 175.510 0.019 0.000 1.097 286 N CA 1.480 54.519 53.050 -0.018 0.000 0.710 286 N CB -1.417 36.997 38.487 -0.121 0.000 1.032 286 N HN 0.941 nan 8.380 nan 0.000 0.551 287 N N -1.349 117.391 118.700 0.067 0.000 2.735 287 N HA -0.218 4.522 4.740 -0.000 0.000 0.248 287 N C 0.675 176.228 175.510 0.072 0.000 1.083 287 N CA 1.300 54.415 53.050 0.108 0.000 0.703 287 N CB -1.351 37.187 38.487 0.086 0.000 1.005 287 N HN 1.166 nan 8.380 nan 0.000 0.550 288 G N -0.576 108.223 108.800 -0.001 0.000 2.148 288 G HA2 -0.314 3.645 3.960 -0.000 0.000 0.254 288 G HA3 -0.314 3.645 3.960 -0.000 0.000 0.254 288 G C 0.409 175.190 174.900 -0.199 0.000 0.981 288 G CA 0.648 45.684 45.100 -0.107 0.000 0.670 288 G HN 0.642 nan 8.290 nan 0.000 0.528 289 Q N 0.250 119.963 119.800 -0.145 0.000 2.282 289 Q HA 0.121 4.461 4.340 -0.000 0.000 0.206 289 Q C 1.317 177.081 176.000 -0.394 0.000 0.878 289 Q CA 0.734 56.422 55.803 -0.193 0.000 0.944 289 Q CB 0.580 29.457 28.738 0.231 0.000 1.100 289 Q HN 0.768 nan 8.270 nan 0.000 0.509 290 T N -2.087 112.305 114.554 -0.269 0.000 2.899 290 T HA 0.078 4.428 4.350 -0.000 0.000 0.295 290 T C 1.552 176.084 174.700 -0.280 0.000 1.033 290 T CA -0.571 61.493 62.100 -0.060 0.000 1.084 290 T CB 1.240 70.202 68.868 0.157 0.000 0.979 290 T HN 0.368 nan 8.240 nan 0.000 0.532 291 C N 1.146 120.416 119.300 -0.050 0.000 2.448 291 C HA 0.133 4.592 4.460 -0.000 0.000 0.280 291 C C 2.273 177.263 174.990 0.001 0.000 1.398 291 C CA 0.134 59.143 59.018 -0.016 0.000 1.774 291 C CB -1.919 25.886 27.740 0.108 0.000 1.888 291 C HN 0.846 nan 8.230 nan 0.000 0.519 292 V N -2.293 117.660 119.914 0.064 0.000 3.596 292 V HA 0.268 4.388 4.120 -0.000 0.000 0.289 292 V C 0.963 177.135 176.094 0.131 0.000 1.336 292 V CA -0.689 61.670 62.300 0.098 0.000 1.137 292 V CB -2.195 29.733 31.823 0.175 0.000 0.966 292 V HN 0.576 nan 8.190 nan 0.000 0.428 293 C N 2.316 121.609 119.300 -0.012 0.000 2.634 293 C HA 0.226 4.686 4.460 -0.000 0.000 0.417 293 C C 1.496 176.448 174.990 -0.064 0.000 1.334 293 C CA 0.647 59.616 59.018 -0.081 0.000 1.829 293 C CB -0.262 27.346 27.740 -0.220 0.000 2.665 293 C HN 0.679 nan 8.230 nan 0.000 0.614 294 T N 4.525 118.984 114.554 -0.159 0.000 2.902 294 T HA -0.012 4.337 4.350 -0.000 0.000 0.301 294 T C 0.909 175.467 174.700 -0.236 0.000 1.012 294 T CA 0.652 62.596 62.100 -0.260 0.000 1.151 294 T CB 0.230 68.706 68.868 -0.653 0.000 0.946 294 T HN 0.814 nan 8.240 nan 0.000 0.542 295 N N 2.114 120.718 118.700 -0.161 0.000 2.445 295 N HA 0.125 4.864 4.740 -0.000 0.000 0.204 295 N C -0.084 175.389 175.510 -0.062 0.000 1.098 295 N CA 0.141 53.144 53.050 -0.079 0.000 0.859 295 N CB 0.659 39.138 38.487 -0.014 0.000 1.249 295 N HN 0.403 nan 8.380 nan 0.000 0.462 296 R N 0.127 120.538 120.500 -0.149 0.000 2.473 296 R HA 0.280 4.620 4.340 -0.000 0.000 0.303 296 R C -1.447 174.704 176.300 -0.249 0.000 1.002 296 R CA -0.602 55.362 56.100 -0.227 0.000 0.884 296 R CB 1.028 31.043 30.300 -0.475 0.000 1.173 296 R HN -0.013 nan 8.270 nan 0.000 0.464 297 F N 3.209 123.143 119.950 -0.027 0.000 2.424 297 F HA 0.298 4.825 4.527 -0.000 0.000 0.356 297 F C -0.013 175.726 175.800 -0.102 0.000 1.110 297 F CA -0.090 57.928 58.000 0.031 0.000 1.161 297 F CB 0.527 39.553 39.000 0.044 0.000 1.115 297 F HN 0.352 nan 8.300 nan 0.000 0.507 298 F N 3.762 123.827 119.950 0.192 0.000 2.332 298 F HA 0.497 5.024 4.527 -0.000 0.000 0.368 298 F C -0.397 175.563 175.800 0.266 0.000 1.110 298 F CA -0.881 57.219 58.000 0.167 0.000 1.087 298 F CB 0.968 39.862 39.000 -0.178 0.000 1.235 298 F HN -0.003 nan 8.300 nan 0.000 0.470 299 V N 2.977 123.086 119.914 0.327 0.000 2.513 299 V HA 0.254 4.374 4.120 -0.000 0.000 0.299 299 V C 0.252 176.344 176.094 -0.003 0.000 1.035 299 V CA -0.984 61.350 62.300 0.057 0.000 0.889 299 V CB 1.461 33.059 31.823 -0.375 0.000 0.988 299 V HN 0.691 nan 8.190 nan 0.000 0.440 300 H N 2.302 121.114 119.070 -0.429 0.000 2.757 300 H HA 0.126 4.681 4.556 -0.000 0.000 0.370 300 H C 0.967 176.141 175.328 -0.256 0.000 1.172 300 H CA 0.092 55.638 56.048 -0.836 0.000 1.426 300 H CB 1.187 30.558 29.762 -0.651 0.000 1.438 300 H HN 0.819 nan 8.280 nan 0.000 0.612 301 E N 2.592 122.420 120.200 -0.620 0.000 2.058 301 E HA -0.208 4.142 4.350 -0.000 0.000 0.194 301 E C 2.321 178.763 176.600 -0.264 0.000 0.997 301 E CA 0.957 57.156 56.400 -0.335 0.000 0.801 301 E CB 0.088 29.582 29.700 -0.343 0.000 0.746 301 E HN 0.610 nan 8.360 nan 0.000 0.450 302 R N 0.249 120.484 120.500 -0.442 0.000 2.105 302 R HA -0.130 4.210 4.340 -0.000 0.000 0.239 302 R C 2.278 178.564 176.300 -0.024 0.000 1.135 302 R CA 1.589 57.588 56.100 -0.168 0.000 0.967 302 R CB -0.005 30.234 30.300 -0.103 0.000 0.861 302 R HN 0.206 nan 8.270 nan 0.000 0.442 303 V N -3.341 116.580 119.914 0.012 0.000 3.621 303 V HA 0.043 4.163 4.120 -0.000 0.000 0.285 303 V C 1.537 177.727 176.094 0.160 0.000 1.346 303 V CA -0.064 62.295 62.300 0.098 0.000 1.104 303 V CB -0.783 31.112 31.823 0.120 0.000 0.913 303 V HN 0.212 nan 8.190 nan 0.000 0.432 304 Y N 2.402 122.705 120.300 0.005 0.000 2.006 304 Y HA -0.312 4.238 4.550 -0.000 0.000 0.266 304 Y C 2.486 178.442 175.900 0.093 0.000 1.133 304 Y CA 2.485 60.613 58.100 0.048 0.000 1.098 304 Y CB -0.168 38.290 38.460 -0.004 0.000 0.969 304 Y HN 0.290 nan 8.280 nan 0.000 0.482 305 D N 0.321 120.964 120.400 0.405 0.000 2.177 305 D HA -0.330 4.310 4.640 -0.000 0.000 0.189 305 D C 2.198 178.603 176.300 0.174 0.000 1.002 305 D CA 1.877 56.019 54.000 0.236 0.000 0.845 305 D CB -1.069 39.789 40.800 0.096 0.000 0.960 305 D HN 0.526 nan 8.370 nan 0.000 0.447 306 A N -0.074 122.833 122.820 0.144 0.000 1.986 306 A HA -0.200 4.119 4.320 -0.000 0.000 0.220 306 A C 2.133 179.787 177.584 0.116 0.000 1.171 306 A CA 1.376 53.477 52.037 0.107 0.000 0.640 306 A CB -0.942 18.119 19.000 0.102 0.000 0.811 306 A HN 0.250 nan 8.150 nan 0.000 0.451 307 F N 0.689 120.643 119.950 0.006 0.000 2.060 307 F HA 0.003 4.530 4.527 -0.000 0.000 0.295 307 F C 2.620 178.370 175.800 -0.083 0.000 1.120 307 F CA 1.181 59.151 58.000 -0.050 0.000 1.205 307 F CB -0.797 38.154 39.000 -0.081 0.000 0.986 307 F HN 0.266 nan 8.300 nan 0.000 0.470 308 A N 0.519 123.334 122.820 -0.008 0.000 1.881 308 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 308 A C 1.987 179.479 177.584 -0.152 0.000 1.215 308 A CA 2.466 54.442 52.037 -0.101 0.000 0.648 308 A CB -1.405 17.640 19.000 0.076 0.000 0.832 308 A HN 0.524 nan 8.150 nan 0.000 0.455 309 D N -0.332 120.024 120.400 -0.073 0.000 2.127 309 D HA -0.180 4.460 4.640 -0.000 0.000 0.190 309 D C 1.883 178.102 176.300 -0.135 0.000 1.000 309 D CA 1.857 55.810 54.000 -0.078 0.000 0.839 309 D CB -0.424 40.355 40.800 -0.036 0.000 0.955 309 D HN 0.577 nan 8.370 nan 0.000 0.446 310 K N -0.300 119.998 120.400 -0.170 0.000 2.152 310 K HA -0.121 4.198 4.320 -0.000 0.000 0.206 310 K C 1.959 178.380 176.600 -0.299 0.000 1.048 310 K CA 0.297 56.460 56.287 -0.206 0.000 0.933 310 K CB -0.138 32.247 32.500 -0.191 0.000 0.721 310 K HN 0.040 nan 8.250 nan 0.000 0.447 311 L N 1.072 122.029 121.223 -0.443 0.000 1.973 311 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 311 L C 2.259 178.964 176.870 -0.276 0.000 1.073 311 L CA 1.915 56.472 54.840 -0.471 0.000 0.746 311 L CB -0.997 40.663 42.059 -0.664 0.000 0.891 311 L HN 0.128 nan 8.230 nan 0.000 0.433 312 A N -0.447 122.243 122.820 -0.216 0.000 1.958 312 A HA -0.247 4.073 4.320 -0.000 0.000 0.221 312 A C 2.358 179.860 177.584 -0.137 0.000 1.178 312 A CA 2.141 54.089 52.037 -0.149 0.000 0.642 312 A CB -1.276 17.659 19.000 -0.109 0.000 0.816 312 A HN 0.597 nan 8.150 nan 0.000 0.453 313 A N -1.122 121.615 122.820 -0.137 0.000 2.125 313 A HA 0.276 4.596 4.320 -0.000 0.000 0.219 313 A C 2.167 179.685 177.584 -0.111 0.000 1.156 313 A CA 1.836 53.807 52.037 -0.110 0.000 0.671 313 A CB -0.515 18.426 19.000 -0.099 0.000 0.794 313 A HN 1.083 nan 8.150 nan 0.000 0.459 314 A N -1.306 121.431 122.820 -0.139 0.000 2.085 314 A HA 0.332 4.652 4.320 -0.000 0.000 0.208 314 A C 1.923 179.419 177.584 -0.147 0.000 1.191 314 A CA 0.827 52.788 52.037 -0.127 0.000 0.799 314 A CB -0.226 18.696 19.000 -0.129 0.000 0.877 314 A HN 0.238 nan 8.150 nan 0.000 0.473 315 V N 1.478 121.281 119.914 -0.185 0.000 2.407 315 V HA -0.237 3.882 4.120 -0.000 0.000 0.248 315 V C 2.935 178.925 176.094 -0.173 0.000 1.055 315 V CA 2.369 64.523 62.300 -0.242 0.000 1.049 315 V CB -0.793 30.872 31.823 -0.263 0.000 0.662 315 V HN 0.785 nan 8.190 nan 0.000 0.455 316 S N 0.784 116.409 115.700 -0.125 0.000 2.419 316 S HA -0.176 4.293 4.470 -0.000 0.000 0.233 316 S C 2.052 176.606 174.600 -0.076 0.000 1.016 316 S CA 1.516 59.663 58.200 -0.090 0.000 0.974 316 S CB -0.498 62.657 63.200 -0.075 0.000 0.786 316 S HN 0.641 nan 8.310 nan 0.000 0.492 317 K N 1.250 121.602 120.400 -0.081 0.000 2.296 317 K HA 0.416 4.735 4.320 -0.000 0.000 0.200 317 K C 0.939 177.502 176.600 -0.062 0.000 1.048 317 K CA 0.717 56.966 56.287 -0.063 0.000 0.966 317 K CB -0.961 31.506 32.500 -0.057 0.000 0.754 317 K HN 0.625 nan 8.250 nan 0.000 0.466 318 L N 2.018 123.187 121.223 -0.089 0.000 2.385 318 L HA 0.200 4.539 4.340 -0.000 0.000 0.281 318 L C 0.346 177.180 176.870 -0.060 0.000 1.106 318 L CA -0.397 54.391 54.840 -0.086 0.000 0.856 318 L CB 1.005 42.972 42.059 -0.154 0.000 1.186 318 L HN 0.233 nan 8.230 nan 0.000 0.453 319 K N 3.420 123.799 120.400 -0.035 0.000 2.284 319 K HA 0.314 4.633 4.320 -0.000 0.000 0.287 319 K C -0.650 175.937 176.600 -0.023 0.000 1.081 319 K CA -0.580 55.692 56.287 -0.024 0.000 0.910 319 K CB 0.889 33.378 32.500 -0.019 0.000 1.088 319 K HN 0.318 nan 8.250 nan 0.000 0.478 320 V N 3.693 123.582 119.914 -0.041 0.000 2.521 320 V HA 0.439 4.559 4.120 -0.000 0.000 0.286 320 V C 0.775 176.759 176.094 -0.182 0.000 1.034 320 V CA 0.398 62.642 62.300 -0.093 0.000 1.045 320 V CB 0.775 32.452 31.823 -0.244 0.000 0.974 320 V HN 0.999 nan 8.190 nan 0.000 0.480 321 G N 2.811 111.572 108.800 -0.066 0.000 2.489 321 G HA2 0.606 4.565 3.960 -0.000 0.000 0.291 321 G HA3 0.606 4.565 3.960 -0.000 0.000 0.291 321 G C -0.630 174.367 174.900 0.162 0.000 1.487 321 G CA -0.449 44.579 45.100 -0.119 0.000 0.795 321 G HN 0.901 nan 8.290 nan 0.000 0.513 322 R N -0.454 120.127 120.500 0.135 0.000 2.585 322 R HA 0.519 4.859 4.340 -0.000 0.000 0.275 322 R C 1.833 178.233 176.300 0.167 0.000 1.018 322 R CA 1.135 57.422 56.100 0.313 0.000 1.072 322 R CB -0.284 30.143 30.300 0.212 0.000 0.953 322 R HN 2.250 nan 8.270 nan 0.000 0.419 323 G N 0.388 109.275 108.800 0.146 0.000 2.507 323 G HA2 -0.337 3.623 3.960 -0.000 0.000 0.221 323 G HA3 -0.337 3.623 3.960 -0.000 0.000 0.221 323 G C 1.530 176.466 174.900 0.060 0.000 1.119 323 G CA 1.761 46.911 45.100 0.084 0.000 0.751 323 G HN 0.940 nan 8.290 nan 0.000 0.574 324 T N -1.465 113.124 114.554 0.058 0.000 3.067 324 T HA 0.166 4.515 4.350 -0.000 0.000 0.261 324 T C 0.959 175.678 174.700 0.031 0.000 1.110 324 T CA 0.237 62.361 62.100 0.039 0.000 1.113 324 T CB 0.198 69.086 68.868 0.034 0.000 0.917 324 T HN 0.385 nan 8.240 nan 0.000 0.499 325 E N 2.253 122.473 120.200 0.034 0.000 2.324 325 E HA 0.179 4.529 4.350 -0.000 0.000 0.271 325 E C -0.694 175.916 176.600 0.017 0.000 1.028 325 E CA -0.180 56.232 56.400 0.020 0.000 0.890 325 E CB 0.547 30.253 29.700 0.011 0.000 1.004 325 E HN 0.194 nan 8.360 nan 0.000 0.431 326 S N 2.304 118.011 115.700 0.011 0.000 2.533 326 S HA 0.299 4.769 4.470 -0.000 0.000 0.282 326 S C 0.915 175.519 174.600 0.006 0.000 1.304 326 S CA 0.597 58.803 58.200 0.010 0.000 1.063 326 S CB 0.918 64.122 63.200 0.007 0.000 0.881 326 S HN 0.833 nan 8.310 nan 0.000 0.493 327 G N 1.963 110.768 108.800 0.008 0.000 2.194 327 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.236 327 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.236 327 G C 0.198 175.102 174.900 0.006 0.000 0.987 327 G CA -0.192 44.910 45.100 0.004 0.000 0.635 327 G HN 1.213 nan 8.290 nan 0.000 0.520 328 A N 1.160 123.989 122.820 0.015 0.000 2.438 328 A HA 0.624 4.943 4.320 -0.000 0.000 0.280 328 A C 1.450 179.054 177.584 0.033 0.000 1.160 328 A CA 1.607 53.659 52.037 0.026 0.000 0.821 328 A CB 0.056 19.083 19.000 0.045 0.000 1.101 328 A HN 1.466 nan 8.150 nan 0.000 0.515 329 T N 0.339 114.909 114.554 0.027 0.000 3.023 329 T HA 0.363 4.713 4.350 -0.000 0.000 0.253 329 T C 0.171 174.898 174.700 0.045 0.000 1.038 329 T CA 0.206 62.324 62.100 0.029 0.000 0.962 329 T CB -0.320 68.555 68.868 0.011 0.000 1.018 329 T HN 0.371 nan 8.240 nan 0.000 0.521 330 L N 2.083 123.342 121.223 0.061 0.000 2.442 330 L HA 0.636 4.975 4.340 -0.000 0.000 0.261 330 L C 0.740 177.700 176.870 0.149 0.000 1.000 330 L CA -1.150 53.744 54.840 0.091 0.000 0.882 330 L CB 1.436 43.545 42.059 0.084 0.000 1.207 330 L HN 0.277 nan 8.230 nan 0.000 0.443 331 G N 2.979 111.834 108.800 0.093 0.000 2.653 331 G HA2 0.442 4.402 3.960 -0.000 0.000 0.265 331 G HA3 0.442 4.402 3.960 -0.000 0.000 0.265 331 G C -2.548 172.204 174.900 -0.246 0.000 1.237 331 G CA -0.783 44.325 45.100 0.013 0.000 0.946 331 G HN 0.266 nan 8.290 nan 0.000 0.522 332 P HA 0.273 nan 4.420 nan 0.000 0.276 332 P C -0.130 176.987 177.300 -0.305 0.000 1.252 332 P CA -0.610 62.004 63.100 -0.810 0.000 0.802 332 P CB 1.047 32.042 31.700 -1.175 0.000 1.035 333 L N 1.386 122.505 121.223 -0.173 0.000 2.468 333 L HA 0.108 4.447 4.340 -0.000 0.000 0.253 333 L C 2.360 179.125 176.870 -0.175 0.000 1.237 333 L CA 0.324 55.108 54.840 -0.095 0.000 0.823 333 L CB -0.304 41.725 42.059 -0.050 0.000 1.124 333 L HN 0.363 nan 8.230 nan 0.000 0.504 334 I N -0.238 120.179 120.570 -0.254 0.000 2.286 334 I HA -0.156 4.013 4.170 -0.000 0.000 0.245 334 I C 0.346 176.272 176.117 -0.319 0.000 1.104 334 I CA 0.980 62.032 61.300 -0.414 0.000 1.397 334 I CB 0.053 37.458 38.000 -0.992 0.000 1.072 334 I HN 0.991 nan 8.210 nan 0.000 0.417 335 N N -2.000 116.536 118.700 -0.274 0.000 3.039 335 N HA 0.082 4.822 4.740 -0.000 0.000 0.257 335 N C 0.184 175.624 175.510 -0.117 0.000 1.497 335 N CA -0.613 52.327 53.050 -0.183 0.000 0.861 335 N CB 0.359 38.727 38.487 -0.199 0.000 1.479 335 N HN -0.257 nan 8.380 nan 0.000 0.547 336 E N -0.072 120.081 120.200 -0.079 0.000 2.118 336 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 336 E C 1.641 178.211 176.600 -0.050 0.000 0.992 336 E CA 1.678 58.053 56.400 -0.042 0.000 0.804 336 E CB -0.536 29.146 29.700 -0.030 0.000 0.741 336 E HN 0.673 nan 8.360 nan 0.000 0.458 337 A N 1.218 123.997 122.820 -0.069 0.000 1.902 337 A HA -0.130 4.189 4.320 -0.000 0.000 0.217 337 A C 2.418 179.959 177.584 -0.070 0.000 1.181 337 A CA 2.094 54.092 52.037 -0.064 0.000 0.623 337 A CB -0.549 18.412 19.000 -0.066 0.000 0.818 337 A HN 0.285 nan 8.150 nan 0.000 0.443 338 A N -0.556 122.214 122.820 -0.083 0.000 1.902 338 A HA -0.009 4.311 4.320 -0.000 0.000 0.217 338 A C 2.208 179.733 177.584 -0.099 0.000 1.181 338 A CA 1.824 53.822 52.037 -0.064 0.000 0.623 338 A CB -0.897 18.072 19.000 -0.051 0.000 0.818 338 A HN 0.424 nan 8.150 nan 0.000 0.443 339 V N 0.216 120.075 119.914 -0.092 0.000 2.427 339 V HA -0.198 3.922 4.120 -0.000 0.000 0.248 339 V C 3.136 179.170 176.094 -0.100 0.000 1.051 339 V CA 2.486 64.722 62.300 -0.108 0.000 1.048 339 V CB -1.209 30.628 31.823 0.024 0.000 0.666 339 V HN 0.720 nan 8.190 nan 0.000 0.456 340 K N 0.369 120.734 120.400 -0.057 0.000 2.211 340 K HA -0.189 4.131 4.320 -0.000 0.000 0.203 340 K C 2.037 178.586 176.600 -0.084 0.000 1.050 340 K CA 1.850 58.112 56.287 -0.042 0.000 0.945 340 K CB -0.425 32.057 32.500 -0.029 0.000 0.732 340 K HN 0.442 nan 8.250 nan 0.000 0.451 341 K N 0.432 120.755 120.400 -0.129 0.000 2.044 341 K HA 0.037 4.357 4.320 -0.000 0.000 0.204 341 K C 2.011 178.442 176.600 -0.282 0.000 1.049 341 K CA 1.320 57.486 56.287 -0.202 0.000 0.945 341 K CB -0.467 31.929 32.500 -0.173 0.000 0.724 341 K HN 0.138 nan 8.250 nan 0.000 0.440 342 V N 1.559 121.317 119.914 -0.261 0.000 2.287 342 V HA -0.261 3.858 4.120 -0.000 0.000 0.248 342 V C 2.064 178.064 176.094 -0.155 0.000 1.053 342 V CA 2.254 64.383 62.300 -0.284 0.000 1.027 342 V CB -0.524 30.919 31.823 -0.633 0.000 0.646 342 V HN 0.402 nan 8.190 nan 0.000 0.447 343 E N -0.123 120.007 120.200 -0.116 0.000 2.153 343 E HA -0.201 4.148 4.350 -0.000 0.000 0.194 343 E C 2.413 179.044 176.600 0.052 0.000 0.988 343 E CA 1.376 57.819 56.400 0.070 0.000 0.811 343 E CB -0.234 29.539 29.700 0.121 0.000 0.746 343 E HN 0.545 nan 8.360 nan 0.000 0.466 344 S N -0.302 115.388 115.700 -0.018 0.000 2.382 344 S HA -0.189 4.281 4.470 -0.000 0.000 0.228 344 S C 1.705 176.358 174.600 0.088 0.000 1.027 344 S CA 1.228 59.429 58.200 0.001 0.000 0.991 344 S CB -0.154 63.008 63.200 -0.063 0.000 0.823 344 S HN 0.404 nan 8.310 nan 0.000 0.469 345 H N 0.001 119.095 119.070 0.040 0.000 2.333 345 H HA 0.097 4.652 4.556 -0.000 0.000 0.302 345 H C 2.171 177.532 175.328 0.055 0.000 1.075 345 H CA 1.492 57.570 56.048 0.050 0.000 1.348 345 H CB -0.073 29.720 29.762 0.052 0.000 1.393 345 H HN 0.338 nan 8.280 nan 0.000 0.509 346 I N 0.834 121.523 120.570 0.199 0.000 2.194 346 I HA -0.306 3.864 4.170 -0.000 0.000 0.246 346 I C 2.745 178.931 176.117 0.115 0.000 1.093 346 I CA 1.054 62.446 61.300 0.153 0.000 1.355 346 I CB -0.242 37.870 38.000 0.186 0.000 1.046 346 I HN 0.311 nan 8.210 nan 0.000 0.413 347 A N 0.294 123.180 122.820 0.110 0.000 1.930 347 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 347 A C 1.996 179.624 177.584 0.072 0.000 1.175 347 A CA 2.185 54.271 52.037 0.082 0.000 0.627 347 A CB -0.724 18.321 19.000 0.074 0.000 0.815 347 A HN 0.520 nan 8.150 nan 0.000 0.443 348 D N -0.382 120.072 120.400 0.090 0.000 2.144 348 D HA 0.018 4.657 4.640 -0.000 0.000 0.200 348 D C 1.939 178.271 176.300 0.053 0.000 0.978 348 D CA 1.467 55.514 54.000 0.078 0.000 0.833 348 D CB -0.140 40.725 40.800 0.109 0.000 0.961 348 D HN 0.319 nan 8.370 nan 0.000 0.470 349 A N 0.391 123.242 122.820 0.052 0.000 1.873 349 A HA -0.070 4.250 4.320 -0.000 0.000 0.215 349 A C 2.164 179.755 177.584 0.011 0.000 1.186 349 A CA 0.842 52.888 52.037 0.014 0.000 0.616 349 A CB -0.816 18.189 19.000 0.007 0.000 0.823 349 A HN 0.332 nan 8.150 nan 0.000 0.442 350 L N -0.312 120.928 121.223 0.028 0.000 2.013 350 L HA -0.213 4.127 4.340 -0.000 0.000 0.212 350 L C 2.966 179.847 176.870 0.019 0.000 1.073 350 L CA 2.225 57.079 54.840 0.023 0.000 0.753 350 L CB -1.626 40.453 42.059 0.034 0.000 0.890 350 L HN 0.465 nan 8.230 nan 0.000 0.432 351 A N -1.117 121.718 122.820 0.026 0.000 2.070 351 A HA -0.201 4.119 4.320 -0.000 0.000 0.220 351 A C 2.245 179.839 177.584 0.017 0.000 1.159 351 A CA 1.504 53.555 52.037 0.023 0.000 0.656 351 A CB -0.276 18.743 19.000 0.031 0.000 0.800 351 A HN 0.395 nan 8.150 nan 0.000 0.453 352 K N -2.493 117.915 120.400 0.013 0.000 2.358 352 K HA 0.303 4.623 4.320 -0.000 0.000 0.200 352 K C 0.931 177.529 176.600 -0.003 0.000 1.030 352 K CA 0.541 56.832 56.287 0.007 0.000 1.097 352 K CB 0.544 33.049 32.500 0.009 0.000 0.862 352 K HN 0.516 nan 8.250 nan 0.000 0.534 353 G N 0.243 109.039 108.800 -0.007 0.000 2.672 353 G HA2 -0.123 3.837 3.960 -0.000 0.000 0.197 353 G HA3 -0.123 3.837 3.960 -0.000 0.000 0.197 353 G C 0.199 175.087 174.900 -0.020 0.000 0.995 353 G CA -0.199 44.893 45.100 -0.013 0.000 0.754 353 G HN 0.326 nan 8.290 nan 0.000 0.505 354 A N 0.171 122.976 122.820 -0.025 0.000 2.366 354 A HA 0.757 5.076 4.320 -0.000 0.000 0.250 354 A C 0.588 178.167 177.584 -0.009 0.000 1.099 354 A CA 1.121 53.141 52.037 -0.028 0.000 0.794 354 A CB 0.542 19.517 19.000 -0.042 0.000 1.056 354 A HN 1.014 nan 8.150 nan 0.000 0.499 355 S N -1.117 114.582 115.700 -0.001 0.000 2.548 355 S HA 0.503 4.973 4.470 -0.000 0.000 0.286 355 S C -1.022 173.587 174.600 0.016 0.000 1.098 355 S CA -0.472 57.732 58.200 0.006 0.000 0.930 355 S CB 1.333 64.533 63.200 0.001 0.000 1.070 355 S HN 0.742 nan 8.310 nan 0.000 0.480 356 L N 4.126 125.359 121.223 0.015 0.000 2.278 356 L HA 0.462 4.801 4.340 -0.000 0.000 0.287 356 L C 0.681 177.558 176.870 0.011 0.000 1.072 356 L CA 0.307 55.160 54.840 0.020 0.000 0.819 356 L CB 0.578 42.649 42.059 0.021 0.000 1.176 356 L HN 0.932 nan 8.230 nan 0.000 0.435 357 M N 3.061 122.668 119.600 0.011 0.000 2.398 357 M HA 0.140 4.620 4.480 -0.000 0.000 0.261 357 M C 0.406 176.698 176.300 -0.014 0.000 1.125 357 M CA 0.979 56.278 55.300 -0.003 0.000 1.183 357 M CB 0.382 32.977 32.600 -0.008 0.000 1.322 357 M HN 0.669 nan 8.290 nan 0.000 0.467 358 T N -1.157 113.392 114.554 -0.007 0.000 2.816 358 T HA 0.581 4.930 4.350 -0.000 0.000 0.299 358 T C -0.032 174.671 174.700 0.004 0.000 1.230 358 T CA 0.037 62.127 62.100 -0.017 0.000 1.007 358 T CB 1.063 69.906 68.868 -0.041 0.000 1.289 358 T HN 0.796 nan 8.240 nan 0.000 0.508 359 G N 1.277 110.068 108.800 -0.014 0.000 2.582 359 G HA2 0.211 4.171 3.960 -0.000 0.000 0.288 359 G HA3 0.211 4.171 3.960 -0.000 0.000 0.288 359 G C 1.040 175.931 174.900 -0.015 0.000 1.247 359 G CA 1.224 46.314 45.100 -0.016 0.000 0.972 359 G HN 2.419 nan 8.290 nan 0.000 0.557 360 G N -3.658 105.151 108.800 0.015 0.000 2.184 360 G HA2 0.493 4.453 3.960 -0.000 0.000 0.206 360 G HA3 0.493 4.453 3.960 -0.000 0.000 0.206 360 G C 0.564 175.431 174.900 -0.054 0.000 0.995 360 G CA 1.652 46.788 45.100 0.060 0.000 0.651 360 G HN 2.498 nan 8.290 nan 0.000 0.511 361 K N 0.100 120.294 120.400 -0.343 0.000 2.433 361 K HA 0.907 5.226 4.320 -0.000 0.000 0.252 361 K C 0.222 176.242 176.600 -0.966 0.000 1.015 361 K CA -0.348 55.671 56.287 -0.447 0.000 0.860 361 K CB 0.715 33.077 32.500 -0.229 0.000 1.359 361 K HN 0.615 nan 8.250 nan 0.000 0.452 362 R N 1.627 121.794 120.500 -0.555 0.000 2.491 362 R HA 0.172 4.511 4.340 -0.000 0.000 0.283 362 R C 0.183 176.378 176.300 -0.176 0.000 1.072 362 R CA -0.708 55.195 56.100 -0.328 0.000 1.048 362 R CB 0.356 30.658 30.300 0.003 0.000 0.983 362 R HN 0.722 nan 8.270 nan 0.000 0.450 363 H N 1.525 120.522 119.070 -0.122 0.000 2.707 363 H HA 0.036 4.592 4.556 -0.000 0.000 0.359 363 H C 0.917 176.208 175.328 -0.063 0.000 1.113 363 H CA 0.491 56.495 56.048 -0.073 0.000 1.422 363 H CB 1.410 31.181 29.762 0.015 0.000 1.443 363 H HN 0.779 nan 8.280 nan 0.000 0.591 364 A N 5.358 127.973 122.820 -0.341 0.000 1.927 364 A HA -0.269 4.051 4.320 -0.000 0.000 0.220 364 A C 3.022 180.592 177.584 -0.023 0.000 1.185 364 A CA 2.653 54.579 52.037 -0.184 0.000 0.639 364 A CB -1.431 17.407 19.000 -0.270 0.000 0.820 364 A HN 0.750 nan 8.150 nan 0.000 0.451 365 L N -1.665 119.646 121.223 0.146 0.000 2.270 365 L HA 0.267 4.607 4.340 -0.000 0.000 0.217 365 L C 2.212 179.095 176.870 0.022 0.000 1.107 365 L CA 2.155 56.989 54.840 -0.010 0.000 0.772 365 L CB -2.328 39.485 42.059 -0.411 0.000 0.902 365 L HN 2.100 nan 8.230 nan 0.000 0.439 366 G N -3.367 105.490 108.800 0.095 0.000 2.645 366 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.239 366 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.239 366 G C 0.360 175.359 174.900 0.166 0.000 1.331 366 G CA 0.554 45.669 45.100 0.025 0.000 0.890 366 G HN 1.846 nan 8.290 nan 0.000 0.572 367 H N -1.775 117.389 119.070 0.156 0.000 1.919 367 H HA -0.250 4.306 4.556 -0.000 0.000 0.090 367 H C 2.003 177.380 175.328 0.083 0.000 0.609 367 H CA 3.565 59.678 56.048 0.108 0.000 1.845 367 H CB -1.620 28.218 29.762 0.127 0.000 2.174 367 H HN 2.102 nan 8.280 nan 0.000 0.951 368 G N -0.004 108.934 108.800 0.231 0.000 4.399 368 G HA2 0.371 4.331 3.960 -0.000 0.000 0.268 368 G HA3 0.371 4.331 3.960 -0.000 0.000 0.268 368 G C -0.331 174.609 174.900 0.067 0.000 1.038 368 G CA -0.196 44.957 45.100 0.088 0.000 0.811 368 G HN 0.140 nan 8.290 nan 0.000 0.408 369 F N 0.658 120.702 119.950 0.158 0.000 2.506 369 F HA 0.628 5.155 4.527 -0.000 0.000 0.351 369 F C -0.036 175.924 175.800 0.266 0.000 1.136 369 F CA 0.008 58.093 58.000 0.141 0.000 1.298 369 F CB 0.753 39.780 39.000 0.044 0.000 1.145 369 F HN 0.004 nan 8.300 nan 0.000 0.593 370 F N 1.390 121.503 119.950 0.271 0.000 2.615 370 F HA 0.271 4.798 4.527 -0.000 0.000 0.312 370 F C -0.688 175.232 175.800 0.199 0.000 1.119 370 F CA -0.943 57.181 58.000 0.208 0.000 0.979 370 F CB 1.298 40.382 39.000 0.139 0.000 1.266 370 F HN 0.427 nan 8.300 nan 0.000 0.444 371 E N 6.389 126.508 120.200 -0.134 0.000 2.366 371 E HA 0.143 4.493 4.350 -0.000 0.000 0.266 371 E C -2.298 174.417 176.600 0.191 0.000 1.015 371 E CA -1.601 54.807 56.400 0.012 0.000 0.906 371 E CB 0.243 29.861 29.700 -0.137 0.000 0.979 371 E HN 0.164 nan 8.360 nan 0.000 0.443 372 P HA -0.061 nan 4.420 nan 0.000 0.262 372 P C -0.756 176.634 177.300 0.151 0.000 1.199 372 P CA 0.343 63.526 63.100 0.138 0.000 0.763 372 P CB 0.475 32.054 31.700 -0.201 0.000 0.790 373 T N 2.929 117.664 114.554 0.301 0.000 2.829 373 T HA 0.443 4.793 4.350 -0.000 0.000 0.280 373 T C -0.105 174.724 174.700 0.216 0.000 0.999 373 T CA -0.480 61.759 62.100 0.232 0.000 0.983 373 T CB 1.286 70.329 68.868 0.293 0.000 0.968 373 T HN 0.057 nan 8.240 nan 0.000 0.446 374 V N 4.110 124.094 119.914 0.117 0.000 2.604 374 V HA 0.569 4.689 4.120 -0.000 0.000 0.305 374 V C -0.621 175.501 176.094 0.047 0.000 1.043 374 V CA -0.859 61.481 62.300 0.066 0.000 0.888 374 V CB 1.753 33.571 31.823 -0.008 0.000 0.995 374 V HN 0.722 nan 8.190 nan 0.000 0.429 375 L N 4.202 125.449 121.223 0.040 0.000 2.356 375 L HA 0.661 5.000 4.340 -0.000 0.000 0.277 375 L C 0.303 177.188 176.870 0.024 0.000 0.996 375 L CA -0.295 54.563 54.840 0.030 0.000 0.822 375 L CB 2.451 44.524 42.059 0.024 0.000 1.256 375 L HN 0.864 nan 8.230 nan 0.000 0.413 376 T N -1.129 113.456 114.554 0.051 0.000 2.943 376 T HA 0.610 4.960 4.350 -0.000 0.000 0.284 376 T C 0.780 175.527 174.700 0.079 0.000 1.015 376 T CA 0.065 62.246 62.100 0.134 0.000 1.042 376 T CB 1.723 70.703 68.868 0.185 0.000 1.055 376 T HN 0.955 nan 8.240 nan 0.000 0.500 377 G N 0.797 109.682 108.800 0.142 0.000 2.298 377 G HA2 -0.127 3.833 3.960 -0.000 0.000 0.287 377 G HA3 -0.127 3.833 3.960 -0.000 0.000 0.287 377 G C -0.151 174.696 174.900 -0.087 0.000 1.075 377 G CA -0.056 45.053 45.100 0.015 0.000 0.960 377 G HN 1.123 nan 8.290 nan 0.000 0.502 378 V N -0.571 119.213 119.914 -0.217 0.000 2.509 378 V HA 0.892 5.012 4.120 -0.000 0.000 0.284 378 V C 0.644 176.370 176.094 -0.613 0.000 1.047 378 V CA 0.253 62.242 62.300 -0.518 0.000 0.952 378 V CB 1.241 32.535 31.823 -0.881 0.000 0.988 378 V HN 0.967 nan 8.190 nan 0.000 0.469 379 K N 5.181 125.341 120.400 -0.400 0.000 2.350 379 K HA 0.702 5.022 4.320 -0.000 0.000 0.241 379 K C -2.124 174.543 176.600 0.113 0.000 0.994 379 K CA -1.514 54.718 56.287 -0.092 0.000 0.839 379 K CB 0.772 33.271 32.500 -0.002 0.000 1.244 379 K HN 0.472 nan 8.250 nan 0.000 0.443 380 P HA -0.175 nan 4.420 nan 0.000 0.222 380 P C 0.213 177.634 177.300 0.201 0.000 1.147 380 P CA 1.516 64.819 63.100 0.338 0.000 0.790 380 P CB 0.084 31.942 31.700 0.265 0.000 0.780 381 D N -1.494 118.984 120.400 0.129 0.000 2.363 381 D HA -0.057 4.583 4.640 -0.000 0.000 0.220 381 D C 0.949 177.294 176.300 0.074 0.000 0.994 381 D CA 0.379 54.432 54.000 0.089 0.000 0.890 381 D CB -0.765 40.075 40.800 0.066 0.000 0.906 381 D HN 0.193 nan 8.370 nan 0.000 0.530 382 M N 0.246 119.887 119.600 0.069 0.000 2.197 382 M HA 0.152 4.631 4.480 -0.000 0.000 0.305 382 M C 0.689 177.019 176.300 0.050 0.000 1.162 382 M CA -0.608 54.716 55.300 0.040 0.000 1.099 382 M CB 0.838 33.428 32.600 -0.016 0.000 1.430 382 M HN -0.318 nan 8.290 nan 0.000 0.481 383 D N 0.571 120.984 120.400 0.022 0.000 2.103 383 D HA -0.108 4.532 4.640 -0.000 0.000 0.199 383 D C 1.740 177.949 176.300 -0.151 0.000 0.978 383 D CA 1.073 55.084 54.000 0.018 0.000 0.829 383 D CB -0.134 40.754 40.800 0.147 0.000 0.981 383 D HN 0.377 nan 8.370 nan 0.000 0.464 384 V N 0.690 120.343 119.914 -0.435 0.000 3.140 384 V HA -0.155 3.964 4.120 -0.000 0.000 0.269 384 V C 1.878 177.951 176.094 -0.035 0.000 1.149 384 V CA 1.640 63.617 62.300 -0.538 0.000 1.162 384 V CB -0.489 31.070 31.823 -0.441 0.000 0.756 384 V HN 0.174 nan 8.190 nan 0.000 0.523 385 A N -0.486 122.401 122.820 0.112 0.000 2.016 385 A HA 0.067 4.386 4.320 -0.000 0.000 0.217 385 A C 2.251 179.919 177.584 0.139 0.000 1.162 385 A CA 1.697 53.879 52.037 0.242 0.000 0.662 385 A CB -0.335 18.871 19.000 0.342 0.000 0.812 385 A HN 0.617 nan 8.150 nan 0.000 0.450 386 K N -0.362 120.112 120.400 0.122 0.000 2.436 386 K HA 0.339 4.659 4.320 -0.000 0.000 0.198 386 K C 0.580 177.308 176.600 0.213 0.000 1.174 386 K CA 0.525 56.910 56.287 0.163 0.000 0.951 386 K CB 0.128 32.714 32.500 0.143 0.000 1.040 386 K HN 0.582 nan 8.250 nan 0.000 0.536 387 E N 0.343 120.640 120.200 0.162 0.000 2.212 387 E HA 0.281 4.631 4.350 -0.000 0.000 0.270 387 E C -1.216 175.499 176.600 0.190 0.000 0.956 387 E CA -0.646 55.876 56.400 0.204 0.000 0.825 387 E CB 1.785 31.664 29.700 0.298 0.000 1.167 387 E HN 0.402 nan 8.360 nan 0.000 0.400 388 E N 0.785 121.089 120.200 0.174 0.000 2.259 388 E HA 0.063 4.413 4.350 -0.000 0.000 0.281 388 E C 0.281 177.097 176.600 0.361 0.000 1.037 388 E CA -0.043 56.488 56.400 0.218 0.000 0.854 388 E CB 1.078 30.904 29.700 0.211 0.000 1.051 388 E HN 0.480 nan 8.360 nan 0.000 0.409 389 T N 3.062 117.829 114.554 0.356 0.000 2.701 389 T HA -0.156 4.194 4.350 -0.000 0.000 0.263 389 T C 0.578 175.457 174.700 0.299 0.000 1.040 389 T CA 0.660 62.959 62.100 0.332 0.000 1.147 389 T CB -0.213 68.825 68.868 0.283 0.000 0.865 389 T HN 0.656 nan 8.240 nan 0.000 0.426 390 F N 0.579 120.560 119.950 0.050 0.000 3.034 390 F HA -0.155 4.372 4.527 -0.000 0.000 0.286 390 F C 0.799 176.626 175.800 0.046 0.000 0.804 390 F CA 0.536 58.569 58.000 0.055 0.000 1.161 390 F CB -1.405 37.651 39.000 0.094 0.000 1.317 390 F HN 0.374 nan 8.300 nan 0.000 0.453 391 G N -1.375 107.480 108.800 0.092 0.000 2.730 391 G HA2 0.697 4.657 3.960 -0.000 0.000 0.289 391 G HA3 0.697 4.657 3.960 -0.000 0.000 0.289 391 G C -3.063 171.852 174.900 0.025 0.000 1.341 391 G CA -1.442 43.674 45.100 0.026 0.000 0.932 391 G HN -0.214 nan 8.290 nan 0.000 0.481 392 P HA 0.312 nan 4.420 nan 0.000 0.252 392 P C -0.971 176.474 177.300 0.243 0.000 1.727 392 P CA -0.128 63.104 63.100 0.220 0.000 1.134 392 P CB 0.386 32.355 31.700 0.450 0.000 1.876 393 L N 2.477 123.750 121.223 0.083 0.000 2.491 393 L HA 0.681 5.020 4.340 -0.000 0.000 0.267 393 L C -0.879 176.049 176.870 0.096 0.000 0.971 393 L CA -1.035 53.886 54.840 0.135 0.000 0.857 393 L CB 1.523 43.666 42.059 0.141 0.000 1.226 393 L HN 0.172 nan 8.230 nan 0.000 0.408 394 A N 7.092 129.995 122.820 0.139 0.000 2.444 394 A HA 0.788 5.108 4.320 -0.000 0.000 0.332 394 A C -2.574 175.115 177.584 0.174 0.000 1.430 394 A CA -1.244 50.907 52.037 0.191 0.000 0.975 394 A CB -0.299 18.701 19.000 0.000 0.000 1.147 394 A HN 0.475 nan 8.150 nan 0.000 0.524 395 P HA 0.323 nan 4.420 nan 0.000 0.292 395 P C -0.681 176.743 177.300 0.207 0.000 1.326 395 P CA -0.049 63.137 63.100 0.144 0.000 0.787 395 P CB 0.927 32.704 31.700 0.127 0.000 0.903 396 L N 4.936 126.191 121.223 0.053 0.000 2.261 396 L HA 0.388 4.728 4.340 -0.000 0.000 0.289 396 L C 0.383 177.233 176.870 -0.033 0.000 1.059 396 L CA -0.496 54.365 54.840 0.036 0.000 0.816 396 L CB -0.234 41.751 42.059 -0.123 0.000 1.191 396 L HN 0.242 nan 8.230 nan 0.000 0.431 397 F N 2.403 122.252 119.950 -0.169 0.000 2.379 397 F HA 0.474 5.001 4.527 -0.000 0.000 0.332 397 F C 0.736 176.600 175.800 0.107 0.000 1.096 397 F CA -0.605 57.317 58.000 -0.130 0.000 1.105 397 F CB 1.212 39.831 39.000 -0.635 0.000 1.189 397 F HN 0.450 nan 8.300 nan 0.000 0.515 398 R N 3.301 124.105 120.500 0.508 0.000 2.407 398 R HA 0.584 4.923 4.340 -0.000 0.000 0.303 398 R C -1.549 175.097 176.300 0.576 0.000 0.981 398 R CA -0.434 56.000 56.100 0.556 0.000 0.905 398 R CB 0.960 31.544 30.300 0.474 0.000 1.099 398 R HN 0.679 nan 8.270 nan 0.000 0.459 399 F N 1.247 121.388 119.950 0.317 0.000 2.626 399 F HA 0.761 5.288 4.527 -0.000 0.000 0.311 399 F C -0.693 175.276 175.800 0.282 0.000 1.088 399 F CA -0.561 57.596 58.000 0.261 0.000 0.949 399 F CB 1.539 40.660 39.000 0.202 0.000 1.322 399 F HN 0.520 nan 8.300 nan 0.000 0.461 400 A N 1.059 124.046 122.820 0.277 0.000 2.121 400 A HA 0.460 4.780 4.320 -0.000 0.000 0.215 400 A C 0.785 178.567 177.584 0.331 0.000 1.861 400 A CA 0.691 52.859 52.037 0.218 0.000 0.850 400 A CB -0.998 18.096 19.000 0.157 0.000 1.346 400 A HN 1.022 nan 8.150 nan 0.000 0.597 401 S N -0.479 115.406 115.700 0.308 0.000 2.669 401 S HA 0.296 4.766 4.470 -0.000 0.000 0.270 401 S C 0.737 175.549 174.600 0.354 0.000 1.225 401 S CA 0.393 58.758 58.200 0.274 0.000 0.991 401 S CB 1.453 64.763 63.200 0.183 0.000 0.987 401 S HN 0.504 nan 8.310 nan 0.000 0.552 402 E N 0.324 120.705 120.200 0.301 0.000 2.046 402 E HA -0.182 4.167 4.350 -0.000 0.000 0.190 402 E C 1.871 178.568 176.600 0.163 0.000 0.982 402 E CA 1.011 57.605 56.400 0.323 0.000 0.800 402 E CB -0.259 29.568 29.700 0.213 0.000 0.756 402 E HN 0.851 nan 8.360 nan 0.000 0.449 403 E N 0.535 120.803 120.200 0.113 0.000 2.118 403 E HA -0.268 4.081 4.350 -0.000 0.000 0.195 403 E C 1.998 178.622 176.600 0.039 0.000 0.992 403 E CA 1.174 57.609 56.400 0.059 0.000 0.804 403 E CB -0.011 29.721 29.700 0.054 0.000 0.741 403 E HN 0.334 nan 8.360 nan 0.000 0.458 404 E N 0.368 120.614 120.200 0.076 0.000 2.031 404 E HA -0.215 4.134 4.350 -0.000 0.000 0.193 404 E C 2.407 178.979 176.600 -0.045 0.000 0.994 404 E CA 1.036 57.474 56.400 0.062 0.000 0.800 404 E CB -0.149 29.643 29.700 0.153 0.000 0.752 404 E HN 0.238 nan 8.360 nan 0.000 0.447 405 L N 0.682 121.839 121.223 -0.111 0.000 2.013 405 L HA -0.211 4.128 4.340 -0.000 0.000 0.212 405 L C 2.350 178.960 176.870 -0.432 0.000 1.073 405 L CA 1.467 56.011 54.840 -0.494 0.000 0.753 405 L CB -0.364 41.204 42.059 -0.818 0.000 0.890 405 L HN 0.026 nan 8.230 nan 0.000 0.432 406 V N -0.040 119.741 119.914 -0.221 0.000 2.332 406 V HA -0.324 3.796 4.120 -0.000 0.000 0.248 406 V C 2.768 178.766 176.094 -0.160 0.000 1.055 406 V CA 2.287 64.489 62.300 -0.165 0.000 1.038 406 V CB -0.843 30.935 31.823 -0.074 0.000 0.651 406 V HN 0.538 nan 8.190 nan 0.000 0.450 407 R N -0.511 119.915 120.500 -0.124 0.000 2.073 407 R HA -0.143 4.197 4.340 -0.000 0.000 0.234 407 R C 2.288 178.511 176.300 -0.129 0.000 1.134 407 R CA 1.484 57.528 56.100 -0.093 0.000 0.952 407 R CB -0.195 30.079 30.300 -0.043 0.000 0.850 407 R HN 0.315 nan 8.270 nan 0.000 0.433 408 L N 0.499 121.597 121.223 -0.209 0.000 2.027 408 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 408 L C 2.607 179.243 176.870 -0.389 0.000 1.074 408 L CA 1.998 56.683 54.840 -0.258 0.000 0.745 408 L CB -1.611 40.264 42.059 -0.305 0.000 0.898 408 L HN 0.297 nan 8.230 nan 0.000 0.433 409 A N -0.052 122.412 122.820 -0.594 0.000 1.940 409 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 409 A C 1.889 179.439 177.584 -0.057 0.000 1.176 409 A CA 1.851 53.634 52.037 -0.423 0.000 0.631 409 A CB -0.469 18.269 19.000 -0.438 0.000 0.814 409 A HN 0.488 nan 8.150 nan 0.000 0.446 410 N N -0.046 118.609 118.700 -0.076 0.000 2.336 410 N HA 0.018 4.758 4.740 -0.000 0.000 0.189 410 N C -0.220 175.246 175.510 -0.073 0.000 1.113 410 N CA 0.314 53.328 53.050 -0.060 0.000 0.858 410 N CB -0.090 38.349 38.487 -0.079 0.000 0.970 410 N HN 0.360 nan 8.380 nan 0.000 0.471 411 D N 0.850 121.218 120.400 -0.054 0.000 2.662 411 D HA 0.065 4.705 4.640 -0.000 0.000 0.228 411 D C -0.660 175.635 176.300 -0.007 0.000 1.093 411 D CA 0.414 54.397 54.000 -0.029 0.000 1.075 411 D CB -0.273 40.525 40.800 -0.004 0.000 1.122 411 D HN -0.068 nan 8.370 nan 0.000 0.475 412 T N -0.945 113.584 114.554 -0.042 0.000 2.977 412 T HA 0.427 4.776 4.350 -0.000 0.000 0.345 412 T C 0.757 175.362 174.700 -0.158 0.000 1.562 412 T CA 0.092 62.169 62.100 -0.039 0.000 1.090 412 T CB 0.980 69.897 68.868 0.083 0.000 1.383 412 T HN 0.012 nan 8.240 nan 0.000 0.484 413 E N 2.370 122.387 120.200 -0.305 0.000 2.274 413 E HA 0.252 4.601 4.350 -0.000 0.000 0.194 413 E C 0.217 176.519 176.600 -0.497 0.000 0.996 413 E CA 0.921 57.046 56.400 -0.458 0.000 0.840 413 E CB -0.306 29.031 29.700 -0.604 0.000 0.772 413 E HN 0.529 nan 8.360 nan 0.000 0.491 414 F N -0.930 118.966 119.950 -0.090 0.000 2.380 414 F HA 0.622 5.149 4.527 -0.000 0.000 0.319 414 F C 1.330 176.979 175.800 -0.252 0.000 1.113 414 F CA -0.408 57.530 58.000 -0.104 0.000 1.056 414 F CB 2.072 41.060 39.000 -0.019 0.000 1.289 414 F HN 0.006 nan 8.300 nan 0.000 0.515 415 G N 1.065 109.840 108.800 -0.041 0.000 4.494 415 G HA2 0.306 4.265 3.960 -0.000 0.000 0.238 415 G HA3 0.306 4.265 3.960 -0.000 0.000 0.238 415 G C -0.568 174.293 174.900 -0.065 0.000 3.102 415 G CA -0.243 44.621 45.100 -0.393 0.000 0.616 415 G HN 0.526 nan 8.290 nan 0.000 0.237 416 L N 1.201 122.489 121.223 0.108 0.000 2.140 416 L HA 0.861 5.201 4.340 -0.000 0.000 0.201 416 L C 1.425 178.292 176.870 -0.006 0.000 1.191 416 L CA 1.641 56.482 54.840 0.001 0.000 0.825 416 L CB -0.426 41.612 42.059 -0.035 0.000 0.970 416 L HN 0.436 nan 8.230 nan 0.000 0.477 417 A N -0.921 121.866 122.820 -0.056 0.000 2.294 417 A HA 0.833 5.153 4.320 -0.000 0.000 0.330 417 A C -0.878 176.411 177.584 -0.492 0.000 1.133 417 A CA 0.059 51.916 52.037 -0.300 0.000 0.836 417 A CB 0.836 19.618 19.000 -0.364 0.000 1.190 417 A HN 0.624 nan 8.150 nan 0.000 0.492 418 A N 0.212 122.547 122.820 -0.808 0.000 2.539 418 A HA 0.772 5.091 4.320 -0.000 0.000 0.296 418 A C -1.672 175.386 177.584 -0.878 0.000 1.073 418 A CA -0.418 51.071 52.037 -0.913 0.000 0.700 418 A CB 0.955 19.271 19.000 -1.140 0.000 1.296 418 A HN 0.837 nan 8.150 nan 0.000 0.405 419 Y N -0.091 119.990 120.300 -0.364 0.000 2.477 419 Y HA 0.704 5.254 4.550 -0.000 0.000 0.347 419 Y C -0.553 175.082 175.900 -0.442 0.000 0.981 419 Y CA -0.817 57.060 58.100 -0.373 0.000 1.033 419 Y CB 2.450 40.700 38.460 -0.351 0.000 1.245 419 Y HN 0.661 nan 8.280 nan 0.000 0.455 420 L N 3.318 124.386 121.223 -0.258 0.000 2.528 420 L HA 0.545 4.885 4.340 -0.000 0.000 0.267 420 L C -2.304 174.457 176.870 -0.181 0.000 0.961 420 L CA -0.615 54.116 54.840 -0.181 0.000 0.866 420 L CB 1.037 42.998 42.059 -0.163 0.000 1.248 420 L HN 0.607 nan 8.230 nan 0.000 0.404 421 Y N 3.745 123.980 120.300 -0.109 0.000 2.328 421 Y HA 0.764 5.314 4.550 -0.000 0.000 0.333 421 Y C 0.217 176.190 175.900 0.122 0.000 0.958 421 Y CA -0.037 58.059 58.100 -0.007 0.000 1.167 421 Y CB 2.090 40.553 38.460 0.005 0.000 1.151 421 Y HN 0.698 nan 8.280 nan 0.000 0.470 422 S N 2.434 118.226 115.700 0.155 0.000 2.578 422 S HA 0.483 4.952 4.470 -0.000 0.000 0.272 422 S C -0.493 174.130 174.600 0.038 0.000 1.145 422 S CA -0.727 57.539 58.200 0.110 0.000 0.835 422 S CB 1.565 64.753 63.200 -0.020 0.000 1.104 422 S HN 0.650 nan 8.310 nan 0.000 0.458 423 R N 1.177 121.697 120.500 0.033 0.000 2.419 423 R HA 0.384 4.724 4.340 -0.000 0.000 0.235 423 R C -0.534 175.770 176.300 0.007 0.000 0.899 423 R CA 0.141 56.260 56.100 0.031 0.000 1.048 423 R CB 0.071 30.407 30.300 0.060 0.000 1.182 423 R HN 0.693 nan 8.270 nan 0.000 0.544 424 D N 0.178 120.564 120.400 -0.023 0.000 2.325 424 D HA 0.017 4.657 4.640 -0.000 0.000 0.251 424 D C 1.399 177.687 176.300 -0.020 0.000 1.196 424 D CA -0.050 53.931 54.000 -0.031 0.000 0.866 424 D CB 0.597 41.358 40.800 -0.065 0.000 1.101 424 D HN -0.063 nan 8.370 nan 0.000 0.476 425 I N 3.999 124.576 120.570 0.011 0.000 2.208 425 I HA -0.160 4.010 4.170 -0.000 0.000 0.245 425 I C 1.757 177.926 176.117 0.087 0.000 1.097 425 I CA 1.524 62.860 61.300 0.061 0.000 1.363 425 I CB -0.667 37.357 38.000 0.039 0.000 1.051 425 I HN 0.662 nan 8.210 nan 0.000 0.413 426 G N 0.130 108.940 108.800 0.017 0.000 2.408 426 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.217 426 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.217 426 G C 1.892 176.801 174.900 0.016 0.000 1.150 426 G CA 0.560 45.666 45.100 0.010 0.000 0.776 426 G HN 0.340 nan 8.290 nan 0.000 0.542 427 R N -0.216 120.251 120.500 -0.054 0.000 2.062 427 R HA 0.025 4.364 4.340 -0.000 0.000 0.229 427 R C 2.673 178.902 176.300 -0.119 0.000 1.128 427 R CA 1.068 57.077 56.100 -0.152 0.000 0.960 427 R CB -0.367 29.738 30.300 -0.325 0.000 0.855 427 R HN 0.210 nan 8.270 nan 0.000 0.432 428 V N -0.111 119.758 119.914 -0.074 0.000 2.324 428 V HA -0.289 3.831 4.120 -0.000 0.000 0.250 428 V C 1.779 177.835 176.094 -0.063 0.000 1.060 428 V CA 1.994 64.251 62.300 -0.073 0.000 1.042 428 V CB -0.532 31.265 31.823 -0.044 0.000 0.650 428 V HN 0.477 nan 8.190 nan 0.000 0.450 429 W N -0.033 121.211 121.300 -0.093 0.000 2.409 429 W HA -0.011 4.648 4.660 -0.000 0.000 0.299 429 W C 2.796 179.273 176.519 -0.071 0.000 1.203 429 W CA 1.170 58.470 57.345 -0.074 0.000 1.298 429 W CB -0.262 29.161 29.460 -0.062 0.000 1.127 429 W HN 0.016 nan 8.180 nan 0.000 0.528 430 R N -0.394 120.195 120.500 0.149 0.000 2.073 430 R HA -0.162 4.178 4.340 -0.000 0.000 0.234 430 R C 1.823 178.127 176.300 0.007 0.000 1.134 430 R CA 1.937 58.075 56.100 0.063 0.000 0.952 430 R CB -0.959 29.351 30.300 0.017 0.000 0.850 430 R HN 0.118 nan 8.270 nan 0.000 0.433 431 V N 0.468 120.363 119.914 -0.031 0.000 2.346 431 V HA -0.135 3.984 4.120 -0.000 0.000 0.244 431 V C 2.390 178.435 176.094 -0.081 0.000 1.037 431 V CA 1.749 64.024 62.300 -0.042 0.000 1.029 431 V CB -0.686 31.130 31.823 -0.012 0.000 0.663 431 V HN 0.372 nan 8.190 nan 0.000 0.454 432 A N -0.368 122.370 122.820 -0.136 0.000 1.978 432 A HA -0.252 4.068 4.320 -0.000 0.000 0.220 432 A C 2.166 179.643 177.584 -0.178 0.000 1.170 432 A CA 1.946 53.859 52.037 -0.207 0.000 0.636 432 A CB -0.437 18.360 19.000 -0.339 0.000 0.810 432 A HN 0.645 nan 8.150 nan 0.000 0.448 433 E N -0.683 119.443 120.200 -0.123 0.000 2.158 433 E HA 0.006 4.355 4.350 -0.000 0.000 0.191 433 E C 2.189 178.763 176.600 -0.043 0.000 0.982 433 E CA 0.726 57.086 56.400 -0.066 0.000 0.823 433 E CB -0.161 29.554 29.700 0.025 0.000 0.766 433 E HN 0.625 nan 8.360 nan 0.000 0.468 434 A N 1.068 123.866 122.820 -0.036 0.000 2.016 434 A HA 0.031 4.351 4.320 -0.000 0.000 0.217 434 A C 1.213 178.779 177.584 -0.031 0.000 1.162 434 A CA 0.093 52.112 52.037 -0.030 0.000 0.662 434 A CB -0.200 18.785 19.000 -0.025 0.000 0.812 434 A HN 0.081 nan 8.150 nan 0.000 0.450 435 L N 1.658 122.867 121.223 -0.023 0.000 2.500 435 L HA 0.042 4.381 4.340 -0.000 0.000 0.272 435 L C -0.056 176.862 176.870 0.081 0.000 1.149 435 L CA -0.097 54.778 54.840 0.059 0.000 0.897 435 L CB 0.360 42.443 42.059 0.041 0.000 1.178 435 L HN 0.360 nan 8.230 nan 0.000 0.473 436 E N 4.546 124.745 120.200 -0.001 0.000 1.842 436 E HA 0.143 4.493 4.350 -0.000 0.000 0.278 436 E C -1.375 174.968 176.600 -0.430 0.000 1.171 436 E CA 0.127 56.419 56.400 -0.181 0.000 1.127 436 E CB 0.023 29.584 29.700 -0.232 0.000 1.100 436 E HN 0.330 nan 8.360 nan 0.000 0.456 437 Y N -1.400 118.818 120.300 -0.137 0.000 2.534 437 Y HA 0.296 4.846 4.550 -0.000 0.000 0.345 437 Y C 1.264 177.057 175.900 -0.179 0.000 1.031 437 Y CA -1.016 56.991 58.100 -0.157 0.000 1.022 437 Y CB 1.770 40.117 38.460 -0.189 0.000 1.292 437 Y HN 0.266 nan 8.280 nan 0.000 0.459 438 G N 1.358 110.128 108.800 -0.050 0.000 2.448 438 G HA2 0.026 3.985 3.960 -0.000 0.000 0.218 438 G HA3 0.026 3.985 3.960 -0.000 0.000 0.218 438 G C 0.091 174.888 174.900 -0.172 0.000 1.135 438 G CA 0.587 45.608 45.100 -0.131 0.000 0.784 438 G HN 0.435 nan 8.290 nan 0.000 0.543 439 M N 0.040 119.527 119.600 -0.188 0.000 2.324 439 M HA 0.454 4.933 4.480 -0.000 0.000 0.288 439 M C -1.767 174.343 176.300 -0.316 0.000 1.097 439 M CA -0.454 54.689 55.300 -0.262 0.000 0.928 439 M CB 3.584 35.972 32.600 -0.353 0.000 1.648 439 M HN -0.257 nan 8.290 nan 0.000 0.460 440 V N 1.677 121.404 119.914 -0.311 0.000 2.483 440 V HA 0.698 4.818 4.120 -0.000 0.000 0.297 440 V C 0.152 176.043 176.094 -0.339 0.000 1.027 440 V CA -0.748 61.331 62.300 -0.368 0.000 0.855 440 V CB 1.918 33.559 31.823 -0.303 0.000 0.995 440 V HN 0.994 nan 8.190 nan 0.000 0.424 441 G N 5.428 113.994 108.800 -0.390 0.000 2.325 441 G HA2 0.599 4.559 3.960 -0.000 0.000 0.298 441 G HA3 0.599 4.559 3.960 -0.000 0.000 0.298 441 G C -0.481 174.278 174.900 -0.236 0.000 1.134 441 G CA -0.389 44.574 45.100 -0.228 0.000 0.876 441 G HN 0.504 nan 8.290 nan 0.000 0.452 442 I N 2.933 123.358 120.570 -0.240 0.000 2.306 442 I HA 0.183 4.352 4.170 -0.000 0.000 0.288 442 I C 0.062 175.946 176.117 -0.389 0.000 1.036 442 I CA -0.700 60.422 61.300 -0.297 0.000 1.221 442 I CB 0.595 38.454 38.000 -0.234 0.000 1.385 442 I HN 0.538 nan 8.210 nan 0.000 0.472 443 N N 2.541 120.783 118.700 -0.763 0.000 2.725 443 N HA -0.187 4.552 4.740 -0.000 0.000 0.249 443 N C 0.109 175.204 175.510 -0.693 0.000 1.103 443 N CA 1.128 53.443 53.050 -1.225 0.000 0.707 443 N CB -0.781 37.415 38.487 -0.485 0.000 1.043 443 N HN 0.786 nan 8.380 nan 0.000 0.553 444 T N -2.976 111.338 114.554 -0.401 0.000 2.942 444 T HA 0.579 4.929 4.350 -0.000 0.000 0.327 444 T C 0.903 175.785 174.700 0.303 0.000 1.360 444 T CA 0.114 62.270 62.100 0.093 0.000 1.055 444 T CB 1.441 70.336 68.868 0.045 0.000 1.261 444 T HN 0.069 nan 8.240 nan 0.000 0.485 445 G N 1.905 110.917 108.800 0.353 0.000 2.833 445 G HA2 0.318 4.278 3.960 -0.000 0.000 0.210 445 G HA3 0.318 4.278 3.960 -0.000 0.000 0.210 445 G C 0.122 175.169 174.900 0.245 0.000 1.139 445 G CA -0.026 45.246 45.100 0.288 0.000 0.771 445 G HN 0.583 nan 8.290 nan 0.000 0.535 446 L N 1.855 123.204 121.223 0.210 0.000 2.276 446 L HA 0.462 4.802 4.340 -0.000 0.000 0.286 446 L C 0.929 177.881 176.870 0.138 0.000 1.024 446 L CA -0.585 54.347 54.840 0.154 0.000 0.826 446 L CB 1.681 43.791 42.059 0.084 0.000 1.211 446 L HN 0.242 nan 8.230 nan 0.000 0.422 447 I N -2.194 118.467 120.570 0.152 0.000 4.244 447 I HA 0.215 4.384 4.170 -0.000 0.000 0.318 447 I C 0.692 176.870 176.117 0.102 0.000 1.282 447 I CA -0.062 61.295 61.300 0.096 0.000 1.276 447 I CB 0.545 38.573 38.000 0.047 0.000 1.183 447 I HN 0.349 nan 8.210 nan 0.000 0.431 448 S N 3.522 119.296 115.700 0.124 0.000 2.525 448 S HA 0.264 4.733 4.470 -0.000 0.000 0.285 448 S C -0.291 174.325 174.600 0.026 0.000 1.283 448 S CA -0.151 58.113 58.200 0.106 0.000 1.072 448 S CB -0.205 62.931 63.200 -0.106 0.000 0.867 448 S HN 0.778 nan 8.310 nan 0.000 0.492 449 N N 0.359 119.111 118.700 0.087 0.000 3.106 449 N HA 0.256 4.996 4.740 -0.000 0.000 0.253 449 N C 0.221 175.602 175.510 -0.214 0.000 1.506 449 N CA -0.934 52.116 53.050 0.001 0.000 0.876 449 N CB 0.480 38.910 38.487 -0.096 0.000 1.452 449 N HN 0.355 nan 8.380 nan 0.000 0.542 450 E N -0.118 119.728 120.200 -0.589 0.000 2.299 450 E HA -0.065 4.285 4.350 -0.000 0.000 0.193 450 E C 1.203 177.122 176.600 -1.135 0.000 0.998 450 E CA 1.443 57.203 56.400 -1.066 0.000 0.851 450 E CB -0.247 28.660 29.700 -1.321 0.000 0.795 450 E HN 0.554 nan 8.360 nan 0.000 0.492 451 V N -1.667 117.689 119.914 -0.930 0.000 3.506 451 V HA 0.483 4.603 4.120 -0.000 0.000 0.263 451 V C 1.026 176.861 176.094 -0.431 0.000 1.203 451 V CA 0.173 61.850 62.300 -1.039 0.000 1.133 451 V CB -0.208 31.175 31.823 -0.733 0.000 0.802 451 V HN 0.295 nan 8.190 nan 0.000 0.459 452 A N 2.118 124.791 122.820 -0.245 0.000 2.312 452 A HA 0.819 5.139 4.320 -0.000 0.000 0.326 452 A C -2.733 174.881 177.584 0.050 0.000 1.172 452 A CA -2.079 49.928 52.037 -0.050 0.000 0.821 452 A CB 0.624 19.616 19.000 -0.013 0.000 1.166 452 A HN 0.320 nan 8.150 nan 0.000 0.493 453 P HA 0.197 nan 4.420 nan 0.000 0.271 453 P C -1.131 176.235 177.300 0.111 0.000 1.233 453 P CA 0.432 63.599 63.100 0.111 0.000 0.764 453 P CB 0.168 31.879 31.700 0.018 0.000 0.825 454 F N 3.639 123.600 119.950 0.017 0.000 2.436 454 F HA 0.678 5.205 4.527 -0.000 0.000 0.340 454 F C 0.548 176.342 175.800 -0.009 0.000 1.113 454 F CA 0.647 58.651 58.000 0.006 0.000 1.022 454 F CB 1.729 40.758 39.000 0.048 0.000 1.128 454 F HN 0.633 nan 8.300 nan 0.000 0.466 455 G N 2.517 111.127 108.800 -0.317 0.000 2.337 455 G HA2 0.430 4.390 3.960 -0.000 0.000 0.298 455 G HA3 0.430 4.390 3.960 -0.000 0.000 0.298 455 G C -1.541 173.229 174.900 -0.217 0.000 1.335 455 G CA -0.285 44.714 45.100 -0.169 0.000 0.875 455 G HN 1.001 nan 8.290 nan 0.000 0.579 456 G N -1.694 107.031 108.800 -0.126 0.000 2.685 456 G HA2 0.975 4.935 3.960 -0.000 0.000 0.298 456 G HA3 0.975 4.935 3.960 -0.000 0.000 0.298 456 G C -0.037 174.808 174.900 -0.091 0.000 1.277 456 G CA 0.230 45.265 45.100 -0.108 0.000 0.986 456 G HN 1.929 nan 8.290 nan 0.000 0.487 457 V N -2.553 117.298 119.914 -0.105 0.000 3.234 457 V HA 0.833 4.953 4.120 -0.000 0.000 0.317 457 V C 0.691 176.722 176.094 -0.106 0.000 1.147 457 V CA -0.552 61.682 62.300 -0.110 0.000 1.037 457 V CB 0.935 32.675 31.823 -0.138 0.000 1.148 457 V HN 1.093 nan 8.190 nan 0.000 0.455 458 K N -0.982 119.353 120.400 -0.108 0.000 1.987 458 K HA -0.228 4.091 4.320 -0.000 0.000 0.206 458 K C 1.011 177.569 176.600 -0.070 0.000 1.587 458 K CA 1.730 57.950 56.287 -0.111 0.000 0.589 458 K CB -1.070 31.331 32.500 -0.165 0.000 0.682 458 K HN 0.836 nan 8.250 nan 0.000 0.876 459 Q N 0.524 120.271 119.800 -0.088 0.000 2.557 459 Q HA 0.023 4.363 4.340 -0.000 0.000 0.217 459 Q C 1.038 177.128 176.000 0.150 0.000 0.978 459 Q CA 0.962 56.751 55.803 -0.025 0.000 0.950 459 Q CB 0.200 28.815 28.738 -0.206 0.000 0.991 459 Q HN 0.356 nan 8.270 nan 0.000 0.533 460 S N -0.591 115.175 115.700 0.110 0.000 2.575 460 S HA 0.342 4.811 4.470 -0.000 0.000 0.215 460 S C 0.807 175.445 174.600 0.064 0.000 0.966 460 S CA 0.414 58.690 58.200 0.127 0.000 0.911 460 S CB 0.561 63.806 63.200 0.076 0.000 0.780 460 S HN 0.643 nan 8.310 nan 0.000 0.514 461 G N 0.750 109.576 108.800 0.042 0.000 2.306 461 G HA2 0.020 3.980 3.960 -0.000 0.000 0.262 461 G HA3 0.020 3.980 3.960 -0.000 0.000 0.262 461 G C -1.913 172.990 174.900 0.006 0.000 1.263 461 G CA -1.033 44.090 45.100 0.038 0.000 1.088 461 G HN 0.254 nan 8.290 nan 0.000 0.489 462 L N 0.309 121.539 121.223 0.011 0.000 2.455 462 L HA 0.731 5.071 4.340 -0.000 0.000 0.264 462 L C 0.699 177.566 176.870 -0.005 0.000 0.968 462 L CA -0.016 54.820 54.840 -0.006 0.000 0.827 462 L CB 1.776 43.833 42.059 -0.003 0.000 1.317 462 L HN 2.617 nan 8.230 nan 0.000 0.407 463 G N 1.727 110.517 108.800 -0.018 0.000 2.756 463 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.678 463 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.678 463 G C -1.433 173.473 174.900 0.011 0.000 1.349 463 G CA -0.942 44.154 45.100 -0.006 0.000 0.847 463 G HN 0.483 nan 8.290 nan 0.000 0.548 464 R N 0.291 120.822 120.500 0.051 0.000 2.744 464 R HA 0.629 4.969 4.340 -0.000 0.000 0.279 464 R C -0.317 176.096 176.300 0.188 0.000 0.977 464 R CA -0.724 55.431 56.100 0.093 0.000 0.906 464 R CB 1.846 32.170 30.300 0.041 0.000 1.197 464 R HN 0.752 nan 8.270 nan 0.000 0.463 465 E N -0.008 120.338 120.200 0.244 0.000 2.227 465 E HA 0.596 4.946 4.350 -0.000 0.000 0.268 465 E C -0.224 176.596 176.600 0.368 0.000 0.907 465 E CA -0.630 55.941 56.400 0.284 0.000 0.786 465 E CB 2.167 31.963 29.700 0.159 0.000 1.191 465 E HN 0.761 nan 8.360 nan 0.000 0.411 466 G N 1.940 111.068 108.800 0.546 0.000 2.860 466 G HA2 -0.094 3.866 3.960 -0.000 0.000 0.553 466 G HA3 -0.094 3.866 3.960 -0.000 0.000 0.553 466 G C -0.042 175.012 174.900 0.256 0.000 1.439 466 G CA -0.222 45.118 45.100 0.400 0.000 0.879 466 G HN 1.593 nan 8.290 nan 0.000 0.545 467 S N -2.260 113.393 115.700 -0.079 0.000 3.769 467 S HA -0.245 4.224 4.470 -0.000 0.000 0.656 467 S C 1.260 176.169 174.600 0.514 0.000 1.960 467 S CA 1.448 59.737 58.200 0.148 0.000 2.104 467 S CB -1.078 62.164 63.200 0.070 0.000 0.328 467 S HN 2.745 nan 8.310 nan 0.000 1.640 468 H N 0.469 119.787 119.070 0.414 0.000 2.489 468 H HA -0.075 4.481 4.556 -0.000 0.000 0.293 468 H C 1.586 176.996 175.328 0.138 0.000 1.066 468 H CA 1.897 58.062 56.048 0.194 0.000 1.305 468 H CB -0.554 29.195 29.762 -0.023 0.000 1.386 468 H HN 0.722 nan 8.280 nan 0.000 0.551 469 Y N 1.707 121.933 120.300 -0.123 0.000 2.457 469 Y HA 0.091 4.641 4.550 -0.000 0.000 0.292 469 Y C 2.897 178.905 175.900 0.181 0.000 1.125 469 Y CA 0.710 58.813 58.100 0.006 0.000 1.254 469 Y CB -0.313 38.085 38.460 -0.103 0.000 1.012 469 Y HN 0.372 nan 8.280 nan 0.000 0.555 470 G N 0.015 109.094 108.800 0.465 0.000 2.418 470 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 470 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 470 G C 1.673 176.838 174.900 0.442 0.000 1.158 470 G CA 0.978 46.391 45.100 0.522 0.000 0.771 470 G HN 0.475 nan 8.290 nan 0.000 0.545 471 I N 0.420 121.264 120.570 0.457 0.000 2.928 471 I HA -0.014 4.156 4.170 -0.000 0.000 0.266 471 I C 1.611 177.909 176.117 0.302 0.000 1.234 471 I CA 0.645 62.151 61.300 0.345 0.000 1.483 471 I CB 0.053 38.233 38.000 0.301 0.000 1.097 471 I HN -0.003 nan 8.210 nan 0.000 0.455 472 D N 1.008 121.559 120.400 0.253 0.000 2.178 472 D HA -0.185 4.455 4.640 -0.000 0.000 0.201 472 D C 1.331 177.694 176.300 0.104 0.000 0.980 472 D CA 1.144 55.252 54.000 0.179 0.000 0.842 472 D CB -0.215 40.702 40.800 0.195 0.000 0.948 472 D HN 0.400 nan 8.370 nan 0.000 0.472 473 D N -0.774 119.651 120.400 0.041 0.000 2.363 473 D HA -0.066 4.573 4.640 -0.000 0.000 0.220 473 D C 0.980 177.085 176.300 -0.325 0.000 0.994 473 D CA 0.353 54.258 54.000 -0.158 0.000 0.890 473 D CB -0.123 40.521 40.800 -0.259 0.000 0.906 473 D HN 0.365 nan 8.370 nan 0.000 0.530 474 Y N -0.239 120.078 120.300 0.027 0.000 2.458 474 Y HA 0.147 4.697 4.550 -0.000 0.000 0.256 474 Y C 0.840 176.762 175.900 0.036 0.000 1.159 474 Y CA -0.437 57.669 58.100 0.011 0.000 1.261 474 Y CB 0.544 38.996 38.460 -0.014 0.000 1.119 474 Y HN -0.208 nan 8.280 nan 0.000 0.524 475 V N -3.196 116.804 119.914 0.144 0.000 3.126 475 V HA 0.821 4.941 4.120 -0.000 0.000 0.314 475 V C -0.876 175.273 176.094 0.092 0.000 1.138 475 V CA -1.236 61.142 62.300 0.129 0.000 1.034 475 V CB 2.075 33.976 31.823 0.131 0.000 1.075 475 V HN -0.333 nan 8.190 nan 0.000 0.442 476 V N 2.093 122.066 119.914 0.099 0.000 2.735 476 V HA 0.549 4.668 4.120 -0.000 0.000 0.310 476 V C -0.384 175.760 176.094 0.084 0.000 1.061 476 V CA -0.591 61.761 62.300 0.085 0.000 0.913 476 V CB 1.960 33.840 31.823 0.094 0.000 1.005 476 V HN 0.842 nan 8.190 nan 0.000 0.428 477 I N 4.874 125.489 120.570 0.076 0.000 2.325 477 I HA 0.387 4.557 4.170 -0.000 0.000 0.291 477 I C 0.103 176.274 176.117 0.090 0.000 1.019 477 I CA -0.038 61.309 61.300 0.079 0.000 1.302 477 I CB 0.889 38.932 38.000 0.071 0.000 1.401 477 I HN 0.437 nan 8.210 nan 0.000 0.485 478 K N 7.128 127.584 120.400 0.093 0.000 2.394 478 K HA 0.255 4.574 4.320 -0.000 0.000 0.260 478 K C -1.376 175.307 176.600 0.138 0.000 0.967 478 K CA -0.670 55.675 56.287 0.097 0.000 0.855 478 K CB 1.166 33.702 32.500 0.060 0.000 1.101 478 K HN 0.446 nan 8.250 nan 0.000 0.433 479 Y N 5.658 125.969 120.300 0.018 0.000 2.327 479 Y HA 0.365 4.915 4.550 -0.000 0.000 0.336 479 Y C -1.494 174.412 175.900 0.010 0.000 1.035 479 Y CA -0.880 57.229 58.100 0.014 0.000 1.165 479 Y CB 0.617 39.085 38.460 0.014 0.000 1.181 479 Y HN 0.457 nan 8.280 nan 0.000 0.494 480 L N 7.763 128.892 121.223 -0.157 0.000 2.295 480 L HA 0.346 4.686 4.340 -0.000 0.000 0.281 480 L C -0.637 176.018 176.870 -0.359 0.000 1.018 480 L CA -0.600 54.066 54.840 -0.291 0.000 0.841 480 L CB 1.247 43.249 42.059 -0.096 0.000 1.218 480 L HN 0.755 nan 8.230 nan 0.000 0.424 481 C N 5.322 124.277 119.300 -0.575 0.000 2.192 481 C HA 0.500 4.960 4.460 -0.000 0.000 0.337 481 C C 0.447 175.357 174.990 -0.132 0.000 1.103 481 C CA -0.500 58.346 59.018 -0.287 0.000 1.581 481 C CB -0.580 26.985 27.740 -0.292 0.000 2.070 481 C HN 0.555 nan 8.230 nan 0.000 0.485 482 V N 7.042 126.921 119.914 -0.058 0.000 2.406 482 V HA 0.489 4.609 4.120 -0.000 0.000 0.272 482 V C 0.928 177.013 176.094 -0.016 0.000 1.043 482 V CA -0.318 61.960 62.300 -0.038 0.000 0.915 482 V CB 0.841 32.649 31.823 -0.024 0.000 0.988 482 V HN 1.007 nan 8.190 nan 0.000 0.466 483 A N 4.972 127.780 122.820 -0.019 0.000 2.440 483 A HA 0.617 4.936 4.320 -0.000 0.000 0.251 483 A C -0.104 177.476 177.584 -0.007 0.000 1.089 483 A CA 0.012 52.044 52.037 -0.009 0.000 0.779 483 A CB 0.930 19.923 19.000 -0.011 0.000 1.022 483 A HN 0.808 nan 8.150 nan 0.000 0.492 484 V N 0.000 119.913 119.914 -0.002 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 484 V CB 0.000 31.824 31.823 0.001 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556