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_K 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 0.000 174.874 174.900 -0.044 0.000 0.946 3 G CA 0.000 45.066 45.100 -0.056 0.000 0.502 4 S N 1.130 116.804 115.700 -0.044 0.000 3.266 4 S HA 0.756 5.227 4.470 0.000 0.000 0.209 4 S C 0.062 174.643 174.600 -0.031 0.000 1.409 4 S CA -0.267 57.914 58.200 -0.032 0.000 1.179 4 S CB -0.430 62.755 63.200 -0.026 0.000 1.218 4 S HN 0.346 nan 8.310 nan 0.000 0.514 5 M N 0.711 120.291 119.600 -0.033 0.000 2.531 5 M HA 0.429 4.909 4.480 0.000 0.000 0.286 5 M C 0.505 176.793 176.300 -0.019 0.000 1.232 5 M CA -0.772 54.511 55.300 -0.028 0.000 0.877 5 M CB 2.287 34.863 32.600 -0.039 0.000 1.726 5 M HN 0.022 nan 8.290 nan 0.000 0.463 6 K N 0.236 120.630 120.400 -0.010 0.000 2.026 6 K HA -0.109 4.211 4.320 0.000 0.000 0.208 6 K C 0.261 176.861 176.600 0.000 0.000 1.048 6 K CA 1.250 57.535 56.287 -0.003 0.000 0.929 6 K CB 0.099 32.600 32.500 0.002 0.000 0.713 6 K HN 0.472 nan 8.250 nan 0.000 0.439 7 D N -0.080 120.322 120.400 0.004 0.000 2.458 7 D HA 0.108 4.748 4.640 0.000 0.000 0.258 7 D C -2.071 174.220 176.300 -0.015 0.000 1.134 7 D CA -2.287 51.721 54.000 0.013 0.000 0.915 7 D CB 1.213 42.043 40.800 0.051 0.000 1.028 7 D HN -0.071 nan 8.370 nan 0.000 0.508 8 P HA -0.092 nan 4.420 nan 0.000 0.234 8 P C 1.064 178.284 177.300 -0.134 0.000 1.167 8 P CA 0.462 63.514 63.100 -0.080 0.000 0.763 8 P CB 0.144 31.803 31.700 -0.068 0.000 0.835 9 S N -1.071 114.548 115.700 -0.135 0.000 2.603 9 S HA 0.039 4.509 4.470 0.000 0.000 0.220 9 S C 1.811 176.135 174.600 -0.460 0.000 0.967 9 S CA -0.010 58.017 58.200 -0.288 0.000 0.920 9 S CB -1.266 61.801 63.200 -0.222 0.000 0.773 9 S HN 0.079 nan 8.310 nan 0.000 0.529 10 L N 0.181 121.288 121.223 -0.194 0.000 2.362 10 L HA 0.208 4.548 4.340 0.000 0.000 0.219 10 L C 0.764 177.509 176.870 -0.207 0.000 1.134 10 L CA 0.313 55.089 54.840 -0.106 0.000 0.807 10 L CB -0.260 41.819 42.059 0.034 0.000 0.927 10 L HN 0.365 nan 8.230 nan 0.000 0.447 11 L N 1.254 122.303 121.223 -0.289 0.000 2.281 11 L HA 0.255 4.596 4.340 0.000 0.000 0.285 11 L C -0.050 176.529 176.870 -0.486 0.000 1.074 11 L CA 0.069 54.687 54.840 -0.371 0.000 0.817 11 L CB 0.330 42.131 42.059 -0.430 0.000 1.168 11 L HN -0.022 nan 8.230 nan 0.000 0.434 12 R N 4.222 124.486 120.500 -0.393 0.000 2.604 12 R HA 0.403 4.743 4.340 0.000 0.000 0.287 12 R C -0.166 175.910 176.300 -0.374 0.000 0.970 12 R CA -0.598 55.235 56.100 -0.445 0.000 0.946 12 R CB 1.042 31.100 30.300 -0.403 0.000 1.127 12 R HN 0.645 nan 8.270 nan 0.000 0.473 13 H N 0.220 119.279 119.070 -0.019 0.000 2.784 13 H HA 0.276 4.833 4.556 0.000 0.000 0.273 13 H C -0.223 175.132 175.328 0.045 0.000 1.112 13 H CA 0.001 56.086 56.048 0.063 0.000 1.162 13 H CB 1.505 31.284 29.762 0.028 0.000 1.586 13 H HN 0.389 nan 8.280 nan 0.000 0.548 14 Q N 0.190 120.077 119.800 0.144 0.000 2.387 14 Q HA 0.679 5.019 4.340 0.000 0.000 0.273 14 Q C -0.390 175.848 176.000 0.397 0.000 1.089 14 Q CA -0.881 55.066 55.803 0.240 0.000 0.824 14 Q CB 3.117 32.026 28.738 0.285 0.000 1.367 14 Q HN 0.203 nan 8.270 nan 0.000 0.443 15 A N 0.924 123.918 122.820 0.290 0.000 2.249 15 A HA 0.366 4.687 4.320 0.000 0.000 0.281 15 A C -1.428 176.299 177.584 0.238 0.000 1.127 15 A CA -0.014 52.171 52.037 0.248 0.000 0.833 15 A CB 0.369 19.426 19.000 0.096 0.000 1.140 15 A HN 0.665 nan 8.150 nan 0.000 0.502 16 Y N 0.776 120.971 120.300 -0.175 0.000 2.447 16 Y HA 0.474 5.024 4.550 0.000 0.000 0.325 16 Y C -0.989 174.721 175.900 -0.317 0.000 0.976 16 Y CA -1.421 56.369 58.100 -0.517 0.000 1.280 16 Y CB 0.866 38.854 38.460 -0.786 0.000 1.104 16 Y HN 0.347 nan 8.280 nan 0.000 0.486 17 I N 4.898 125.192 120.570 -0.461 0.000 2.382 17 I HA 0.338 4.508 4.170 0.000 0.000 0.285 17 I C 1.009 176.869 176.117 -0.428 0.000 1.007 17 I CA -0.518 60.577 61.300 -0.342 0.000 1.142 17 I CB 0.873 38.766 38.000 -0.178 0.000 1.289 17 I HN 0.857 nan 8.210 nan 0.000 0.453 18 G N 4.748 113.297 108.800 -0.417 0.000 2.225 18 G HA2 -0.143 3.817 3.960 0.000 0.000 0.267 18 G HA3 -0.143 3.817 3.960 0.000 0.000 0.267 18 G C 0.987 175.601 174.900 -0.477 0.000 1.024 18 G CA 0.694 45.579 45.100 -0.359 0.000 0.784 18 G HN 1.629 nan 8.290 nan 0.000 0.507 19 G N -1.753 106.514 108.800 -0.888 0.000 2.132 19 G HA2 -0.120 3.841 3.960 0.000 0.000 0.234 19 G HA3 -0.120 3.841 3.960 0.000 0.000 0.234 19 G C -0.136 174.295 174.900 -0.783 0.000 0.989 19 G CA 0.893 45.401 45.100 -0.986 0.000 0.676 19 G HN 1.145 nan 8.290 nan 0.000 0.522 20 E N -1.329 118.387 120.200 -0.806 0.000 2.292 20 E HA 0.477 4.827 4.350 0.000 0.000 0.272 20 E C -0.686 175.743 176.600 -0.286 0.000 0.881 20 E CA -1.062 55.120 56.400 -0.363 0.000 0.754 20 E CB 1.288 30.895 29.700 -0.155 0.000 1.201 20 E HN 0.271 nan 8.360 nan 0.000 0.425 21 W N 2.550 123.930 121.300 0.135 0.000 2.304 21 W HA 0.237 4.897 4.660 -0.000 0.000 0.313 21 W C 0.256 176.814 176.519 0.065 0.000 1.323 21 W CA -0.095 57.346 57.345 0.160 0.000 1.223 21 W CB 0.685 30.242 29.460 0.160 0.000 1.237 21 W HN 0.229 nan 8.180 nan 0.000 0.535 22 Q N 2.086 122.047 119.800 0.268 0.000 2.379 22 Q HA 0.666 5.006 4.340 0.000 0.000 0.278 22 Q C -0.574 175.492 176.000 0.110 0.000 1.068 22 Q CA -1.070 54.813 55.803 0.133 0.000 0.816 22 Q CB 2.409 31.173 28.738 0.044 0.000 1.387 22 Q HN 0.551 nan 8.270 nan 0.000 0.413 23 A N 0.979 123.838 122.820 0.066 0.000 2.271 23 A HA 0.788 5.108 4.320 0.000 0.000 0.288 23 A C -0.118 177.467 177.584 0.002 0.000 1.094 23 A CA -0.051 52.003 52.037 0.029 0.000 0.828 23 A CB 0.421 19.431 19.000 0.017 0.000 1.091 23 A HN 0.776 nan 8.150 nan 0.000 0.493 24 A N 0.148 122.953 122.820 -0.025 0.000 2.466 24 A HA 0.302 4.622 4.320 0.000 0.000 0.238 24 A C 0.627 178.197 177.584 -0.022 0.000 1.074 24 A CA 0.273 52.290 52.037 -0.034 0.000 0.774 24 A CB -0.116 18.849 19.000 -0.060 0.000 1.015 24 A HN 0.785 nan 8.150 nan 0.000 0.498 25 D N 0.669 121.057 120.400 -0.020 0.000 2.178 25 D HA -0.129 4.511 4.640 0.000 0.000 0.201 25 D C 2.182 178.473 176.300 -0.014 0.000 0.980 25 D CA 2.085 56.076 54.000 -0.015 0.000 0.842 25 D CB -0.184 40.607 40.800 -0.014 0.000 0.948 25 D HN 0.640 nan 8.370 nan 0.000 0.472 26 S N -0.719 114.970 115.700 -0.018 0.000 2.527 26 S HA -0.046 4.424 4.470 0.000 0.000 0.222 26 S C 0.623 175.211 174.600 -0.019 0.000 0.985 26 S CA 0.249 58.439 58.200 -0.016 0.000 0.921 26 S CB 0.350 63.541 63.200 -0.016 0.000 0.772 26 S HN 0.044 nan 8.310 nan 0.000 0.529 27 D N 0.620 121.005 120.400 -0.025 0.000 3.077 27 D HA -0.140 4.500 4.640 0.000 0.000 0.212 27 D C 0.345 176.620 176.300 -0.043 0.000 1.125 27 D CA 1.003 54.985 54.000 -0.029 0.000 0.970 27 D CB -1.575 39.214 40.800 -0.019 0.000 1.110 27 D HN 0.721 nan 8.370 nan 0.000 0.419 28 A N 0.488 123.277 122.820 -0.052 0.000 2.425 28 A HA 0.523 4.843 4.320 0.000 0.000 0.242 28 A C 0.978 178.481 177.584 -0.135 0.000 1.077 28 A CA 1.101 53.097 52.037 -0.068 0.000 0.781 28 A CB 0.664 19.632 19.000 -0.053 0.000 1.020 28 A HN 0.324 nan 8.150 nan 0.000 0.494 29 T N -1.285 113.179 114.554 -0.149 0.000 2.868 29 T HA 0.726 5.076 4.350 0.000 0.000 0.306 29 T C -0.646 173.920 174.700 -0.223 0.000 1.224 29 T CA -0.652 61.294 62.100 -0.257 0.000 1.012 29 T CB 1.102 69.889 68.868 -0.135 0.000 1.221 29 T HN 1.023 nan 8.240 nan 0.000 0.499 30 F N -0.853 119.093 119.950 -0.006 0.000 2.538 30 F HA 0.834 5.361 4.527 0.000 0.000 0.325 30 F C 0.103 175.875 175.800 -0.046 0.000 1.066 30 F CA -1.580 56.417 58.000 -0.006 0.000 0.946 30 F CB 1.028 40.033 39.000 0.009 0.000 1.199 30 F HN 0.756 nan 8.300 nan 0.000 0.473 31 E N 0.932 121.235 120.200 0.172 0.000 2.266 31 E HA 0.553 4.903 4.350 0.000 0.000 0.277 31 E C -1.336 175.122 176.600 -0.237 0.000 1.018 31 E CA -0.776 55.551 56.400 -0.123 0.000 0.840 31 E CB 1.678 31.187 29.700 -0.318 0.000 1.082 31 E HN 0.580 nan 8.360 nan 0.000 0.395 32 V N 4.829 124.591 119.914 -0.253 0.000 2.427 32 V HA 0.357 4.477 4.120 0.000 0.000 0.286 32 V C -0.634 175.261 176.094 -0.331 0.000 1.034 32 V CA -0.496 61.725 62.300 -0.132 0.000 0.893 32 V CB 0.599 32.496 31.823 0.123 0.000 0.982 32 V HN 0.510 nan 8.190 nan 0.000 0.452 33 F N 1.612 121.606 119.950 0.073 0.000 2.495 33 F HA 0.398 4.925 4.527 0.000 0.000 0.327 33 F C 0.449 176.249 175.800 0.000 0.000 1.103 33 F CA -0.874 57.145 58.000 0.031 0.000 0.949 33 F CB 1.261 40.260 39.000 -0.001 0.000 1.142 33 F HN 0.427 nan 8.300 nan 0.000 0.457 34 D N 4.703 125.194 120.400 0.152 0.000 2.450 34 D HA 0.051 4.691 4.640 0.000 0.000 0.247 34 D C -1.602 174.683 176.300 -0.026 0.000 1.162 34 D CA -1.401 52.625 54.000 0.043 0.000 0.879 34 D CB 1.426 42.233 40.800 0.011 0.000 1.163 34 D HN 0.202 nan 8.370 nan 0.000 0.472 35 P HA 0.040 nan 4.420 nan 0.000 0.245 35 P C 0.509 177.648 177.300 -0.269 0.000 1.212 35 P CA 0.259 63.264 63.100 -0.158 0.000 0.774 35 P CB 0.391 31.988 31.700 -0.171 0.000 0.999 36 A N 0.325 123.012 122.820 -0.223 0.000 1.943 36 A HA 0.027 4.347 4.320 0.000 0.000 0.213 36 A C 2.009 179.481 177.584 -0.188 0.000 1.181 36 A CA 1.900 53.848 52.037 -0.149 0.000 0.653 36 A CB -0.955 18.075 19.000 0.051 0.000 0.833 36 A HN 0.326 nan 8.150 nan 0.000 0.451 37 T N -6.496 107.862 114.554 -0.327 0.000 2.954 37 T HA 0.434 4.784 4.350 0.000 0.000 0.252 37 T C 1.388 175.811 174.700 -0.462 0.000 0.983 37 T CA 1.125 63.009 62.100 -0.359 0.000 0.941 37 T CB 0.452 69.284 68.868 -0.059 0.000 1.141 37 T HN 1.686 nan 8.240 nan 0.000 0.500 38 G N 2.550 111.158 108.800 -0.321 0.000 2.157 38 G HA2 -0.242 3.718 3.960 0.000 0.000 0.248 38 G HA3 -0.242 3.718 3.960 0.000 0.000 0.248 38 G C -0.127 174.859 174.900 0.142 0.000 0.979 38 G CA 0.221 45.277 45.100 -0.072 0.000 0.650 38 G HN 1.057 nan 8.290 nan 0.000 0.529 39 E N 0.671 120.939 120.200 0.114 0.000 2.343 39 E HA 0.519 4.869 4.350 0.000 0.000 0.269 39 E C 0.412 177.125 176.600 0.189 0.000 1.047 39 E CA 0.084 56.578 56.400 0.157 0.000 0.874 39 E CB 1.291 31.037 29.700 0.075 0.000 1.033 39 E HN 0.614 nan 8.360 nan 0.000 0.409 40 S N 0.788 116.568 115.700 0.133 0.000 2.548 40 S HA 0.273 4.743 4.470 0.000 0.000 0.277 40 S C 0.595 175.156 174.600 -0.065 0.000 1.315 40 S CA -0.134 58.019 58.200 -0.079 0.000 1.050 40 S CB 0.770 63.897 63.200 -0.122 0.000 0.918 40 S HN 0.712 nan 8.310 nan 0.000 0.497 41 L N 2.583 123.763 121.223 -0.072 0.000 2.700 41 L HA 0.703 5.043 4.340 0.000 0.000 0.234 41 L C 1.427 178.349 176.870 0.086 0.000 1.156 41 L CA 0.315 55.150 54.840 -0.008 0.000 0.946 41 L CB -1.629 40.447 42.059 0.028 0.000 1.216 41 L HN 1.655 nan 8.230 nan 0.000 0.493 42 G N -0.543 108.256 108.800 -0.001 0.000 2.545 42 G HA2 0.162 4.122 3.960 0.000 0.000 0.216 42 G HA3 0.162 4.122 3.960 0.000 0.000 0.216 42 G C 0.110 175.053 174.900 0.071 0.000 1.314 42 G CA 0.352 45.429 45.100 -0.039 0.000 0.906 42 G HN 1.910 nan 8.290 nan 0.000 0.563 43 T N -2.363 112.228 114.554 0.062 0.000 2.942 43 T HA 0.914 5.264 4.350 0.000 0.000 0.289 43 T C 0.167 174.986 174.700 0.199 0.000 1.044 43 T CA 0.170 62.320 62.100 0.084 0.000 1.023 43 T CB 1.747 70.600 68.868 -0.026 0.000 1.123 43 T HN 2.248 nan 8.240 nan 0.000 0.512 44 V N -2.323 117.601 119.914 0.016 0.000 3.040 44 V HA 0.797 4.917 4.120 0.000 0.000 0.312 44 V C -3.203 172.750 176.094 -0.235 0.000 1.115 44 V CA -3.252 59.010 62.300 -0.063 0.000 0.998 44 V CB 1.385 33.127 31.823 -0.136 0.000 1.042 44 V HN 0.736 nan 8.190 nan 0.000 0.433 45 P HA 0.253 nan 4.420 nan 0.000 0.271 45 P C -1.052 175.965 177.300 -0.471 0.000 1.218 45 P CA -0.130 62.827 63.100 -0.239 0.000 0.780 45 P CB 0.413 32.053 31.700 -0.100 0.000 0.901 46 K N 4.065 124.190 120.400 -0.459 0.000 2.423 46 K HA 0.329 4.649 4.320 0.000 0.000 0.234 46 K C -0.384 176.118 176.600 -0.164 0.000 1.051 46 K CA -0.197 55.821 56.287 -0.449 0.000 1.021 46 K CB -0.134 32.108 32.500 -0.429 0.000 1.474 46 K HN 0.438 nan 8.250 nan 0.000 0.474 47 M N 1.062 120.601 119.600 -0.102 0.000 2.513 47 M HA 0.458 4.938 4.480 0.000 0.000 0.291 47 M C 0.809 177.104 176.300 -0.008 0.000 1.190 47 M CA -0.730 54.543 55.300 -0.044 0.000 0.960 47 M CB 1.489 34.068 32.600 -0.035 0.000 1.517 47 M HN 0.600 nan 8.290 nan 0.000 0.499 48 G N -0.599 108.198 108.800 -0.004 0.000 3.302 48 G HA2 0.594 4.554 3.960 0.000 0.000 0.170 48 G HA3 0.594 4.554 3.960 0.000 0.000 0.170 48 G C 0.480 175.381 174.900 0.001 0.000 1.119 48 G CA 0.157 45.261 45.100 0.007 0.000 0.826 48 G HN 0.726 nan 8.290 nan 0.000 0.646 49 A N -0.344 122.475 122.820 -0.000 0.000 1.872 49 A HA 0.330 4.650 4.320 0.000 0.000 0.214 49 A C 2.729 180.306 177.584 -0.012 0.000 1.187 49 A CA 2.581 54.615 52.037 -0.005 0.000 0.614 49 A CB -1.136 17.861 19.000 -0.004 0.000 0.826 49 A HN 1.384 nan 8.150 nan 0.000 0.442 50 A N 0.212 123.024 122.820 -0.012 0.000 1.884 50 A HA -0.256 4.064 4.320 0.000 0.000 0.219 50 A C 1.867 179.437 177.584 -0.023 0.000 1.197 50 A CA 2.204 54.232 52.037 -0.016 0.000 0.637 50 A CB -0.725 18.267 19.000 -0.014 0.000 0.827 50 A HN 0.556 nan 8.150 nan 0.000 0.450 51 E N -0.783 119.402 120.200 -0.024 0.000 2.153 51 E HA -0.083 4.267 4.350 0.000 0.000 0.194 51 E C 2.079 178.656 176.600 -0.038 0.000 0.988 51 E CA 1.598 57.978 56.400 -0.033 0.000 0.811 51 E CB -0.462 29.220 29.700 -0.030 0.000 0.746 51 E HN 0.625 nan 8.360 nan 0.000 0.466 52 T N 0.490 115.027 114.554 -0.028 0.000 2.777 52 T HA -0.140 4.210 4.350 0.000 0.000 0.266 52 T C 2.005 176.684 174.700 -0.036 0.000 1.040 52 T CA 1.216 63.298 62.100 -0.029 0.000 1.141 52 T CB -0.381 68.477 68.868 -0.016 0.000 0.868 52 T HN 0.294 nan 8.240 nan 0.000 0.444 53 A N 2.112 124.913 122.820 -0.030 0.000 1.917 53 A HA -0.187 4.133 4.320 0.000 0.000 0.219 53 A C 2.396 179.956 177.584 -0.040 0.000 1.182 53 A CA 1.492 53.510 52.037 -0.031 0.000 0.633 53 A CB -0.500 18.486 19.000 -0.024 0.000 0.819 53 A HN 0.408 nan 8.150 nan 0.000 0.448 54 R N -0.709 119.764 120.500 -0.045 0.000 2.075 54 R HA -0.059 4.281 4.340 0.000 0.000 0.232 54 R C 2.537 178.791 176.300 -0.076 0.000 1.126 54 R CA 1.172 57.238 56.100 -0.056 0.000 0.963 54 R CB -0.578 29.687 30.300 -0.058 0.000 0.858 54 R HN 0.519 nan 8.270 nan 0.000 0.435 55 A N 1.597 124.366 122.820 -0.086 0.000 1.908 55 A HA -0.171 4.149 4.320 0.000 0.000 0.218 55 A C 2.202 179.730 177.584 -0.092 0.000 1.181 55 A CA 1.348 53.320 52.037 -0.108 0.000 0.627 55 A CB -0.534 18.405 19.000 -0.101 0.000 0.818 55 A HN 0.178 nan 8.150 nan 0.000 0.445 56 I N -0.686 119.842 120.570 -0.069 0.000 2.179 56 I HA -0.262 3.908 4.170 0.000 0.000 0.242 56 I C 2.523 178.610 176.117 -0.050 0.000 1.088 56 I CA 1.753 63.017 61.300 -0.059 0.000 1.357 56 I CB -0.467 37.505 38.000 -0.047 0.000 1.051 56 I HN 0.409 nan 8.210 nan 0.000 0.409 57 E N 0.807 120.982 120.200 -0.042 0.000 2.110 57 E HA -0.212 4.139 4.350 0.000 0.000 0.193 57 E C 2.281 178.863 176.600 -0.030 0.000 0.988 57 E CA 1.271 57.654 56.400 -0.028 0.000 0.804 57 E CB -0.184 29.500 29.700 -0.025 0.000 0.745 57 E HN 0.521 nan 8.360 nan 0.000 0.458 58 A N 1.206 123.993 122.820 -0.056 0.000 1.969 58 A HA -0.045 4.275 4.320 0.000 0.000 0.218 58 A C 2.340 179.887 177.584 -0.062 0.000 1.169 58 A CA 1.426 53.422 52.037 -0.069 0.000 0.635 58 A CB -0.491 18.441 19.000 -0.114 0.000 0.810 58 A HN 0.291 nan 8.150 nan 0.000 0.445 59 A N -0.468 122.309 122.820 -0.071 0.000 1.877 59 A HA -0.222 4.099 4.320 0.000 0.000 0.216 59 A C 2.195 179.781 177.584 0.003 0.000 1.186 59 A CA 1.862 53.858 52.037 -0.068 0.000 0.620 59 A CB -0.630 18.312 19.000 -0.098 0.000 0.822 59 A HN 0.653 nan 8.150 nan 0.000 0.443 60 Q N -0.432 119.379 119.800 0.018 0.000 2.096 60 Q HA -0.121 4.219 4.340 0.000 0.000 0.204 60 Q C 2.068 178.151 176.000 0.138 0.000 0.982 60 Q CA 1.860 57.721 55.803 0.097 0.000 0.850 60 Q CB -0.390 28.389 28.738 0.067 0.000 0.901 60 Q HN 0.583 nan 8.270 nan 0.000 0.422 61 A N 0.417 123.280 122.820 0.072 0.000 1.933 61 A HA -0.036 4.284 4.320 0.000 0.000 0.218 61 A C 2.204 179.840 177.584 0.086 0.000 1.175 61 A CA 1.509 53.584 52.037 0.063 0.000 0.628 61 A CB -0.811 18.202 19.000 0.022 0.000 0.814 61 A HN 0.555 nan 8.150 nan 0.000 0.444 62 A N -2.138 120.735 122.820 0.088 0.000 2.119 62 A HA 0.016 4.336 4.320 0.000 0.000 0.216 62 A C 1.773 179.501 177.584 0.241 0.000 1.152 62 A CA 1.089 53.190 52.037 0.107 0.000 0.708 62 A CB -0.653 18.360 19.000 0.020 0.000 0.805 62 A HN 0.776 nan 8.150 nan 0.000 0.460 63 W N 1.214 122.549 121.300 0.058 0.000 2.335 63 W HA -0.203 4.457 4.660 0.000 0.000 0.311 63 W C 2.379 178.978 176.519 0.134 0.000 1.213 63 W CA 1.674 59.088 57.345 0.114 0.000 1.274 63 W CB -0.742 28.765 29.460 0.079 0.000 1.148 63 W HN 0.353 nan 8.180 nan 0.000 0.498 64 A N 0.486 123.317 122.820 0.019 0.000 1.917 64 A HA -0.115 4.205 4.320 0.000 0.000 0.219 64 A C 2.306 179.856 177.584 -0.057 0.000 1.182 64 A CA 2.492 54.438 52.037 -0.151 0.000 0.633 64 A CB -1.590 17.353 19.000 -0.095 0.000 0.819 64 A HN 0.416 nan 8.150 nan 0.000 0.448 65 G N -2.035 106.799 108.800 0.056 0.000 2.394 65 G HA2 -0.234 3.726 3.960 0.000 0.000 0.215 65 G HA3 -0.234 3.726 3.960 0.000 0.000 0.215 65 G C 1.537 176.523 174.900 0.143 0.000 1.165 65 G CA 0.784 45.933 45.100 0.082 0.000 0.784 65 G HN 0.683 nan 8.290 nan 0.000 0.535 66 W N 2.677 123.995 121.300 0.029 0.000 2.381 66 W HA -0.100 4.560 4.660 -0.000 0.000 0.301 66 W C 2.670 179.221 176.519 0.053 0.000 1.205 66 W CA 1.302 58.685 57.345 0.062 0.000 1.285 66 W CB 0.100 29.635 29.460 0.126 0.000 1.133 66 W HN 0.329 nan 8.180 nan 0.000 0.521 67 R N 0.065 120.589 120.500 0.041 0.000 2.193 67 R HA -0.093 4.247 4.340 0.000 0.000 0.213 67 R C 2.157 178.358 176.300 -0.165 0.000 1.055 67 R CA 1.320 57.358 56.100 -0.104 0.000 0.995 67 R CB -0.978 29.215 30.300 -0.179 0.000 0.893 67 R HN 0.199 nan 8.270 nan 0.000 0.459 68 M N 1.212 120.727 119.600 -0.141 0.000 2.254 68 M HA 0.037 4.517 4.480 0.000 0.000 0.265 68 M C 0.066 176.288 176.300 -0.130 0.000 1.066 68 M CA 1.083 56.309 55.300 -0.122 0.000 1.123 68 M CB 0.266 32.813 32.600 -0.089 0.000 1.388 68 M HN 0.025 nan 8.290 nan 0.000 0.425 69 K N 1.711 122.008 120.400 -0.171 0.000 2.469 69 K HA -0.014 4.306 4.320 0.000 0.000 0.274 69 K C 0.451 176.926 176.600 -0.208 0.000 0.983 69 K CA 0.352 56.516 56.287 -0.204 0.000 0.974 69 K CB 0.217 32.520 32.500 -0.328 0.000 0.913 69 K HN 0.320 nan 8.250 nan 0.000 0.493 70 T N -0.923 113.536 114.554 -0.158 0.000 2.813 70 T HA 0.164 4.514 4.350 0.000 0.000 0.297 70 T C 1.435 176.037 174.700 -0.164 0.000 1.036 70 T CA -0.219 61.801 62.100 -0.134 0.000 1.044 70 T CB 1.270 70.082 68.868 -0.093 0.000 0.993 70 T HN 0.564 nan 8.240 nan 0.000 0.535 71 A N 1.226 123.971 122.820 -0.124 0.000 1.892 71 A HA -0.128 4.192 4.320 0.000 0.000 0.218 71 A C 2.393 179.918 177.584 -0.098 0.000 1.188 71 A CA 2.173 54.144 52.037 -0.111 0.000 0.631 71 A CB -1.084 17.873 19.000 -0.070 0.000 0.822 71 A HN 0.999 nan 8.150 nan 0.000 0.447 72 K N -0.383 119.969 120.400 -0.080 0.000 2.044 72 K HA -0.233 4.087 4.320 0.000 0.000 0.210 72 K C 1.984 178.550 176.600 -0.056 0.000 1.049 72 K CA 1.959 58.210 56.287 -0.060 0.000 0.927 72 K CB -0.202 32.267 32.500 -0.052 0.000 0.713 72 K HN 0.671 nan 8.250 nan 0.000 0.443 73 E N -0.293 119.859 120.200 -0.081 0.000 2.110 73 E HA -0.177 4.173 4.350 0.000 0.000 0.193 73 E C 2.114 178.659 176.600 -0.091 0.000 0.988 73 E CA 1.073 57.426 56.400 -0.079 0.000 0.804 73 E CB 0.051 29.689 29.700 -0.104 0.000 0.745 73 E HN 0.274 nan 8.360 nan 0.000 0.458 74 R N 0.247 120.639 120.500 -0.180 0.000 2.115 74 R HA 0.024 4.364 4.340 0.000 0.000 0.226 74 R C 2.296 178.615 176.300 0.032 0.000 1.100 74 R CA 0.856 56.841 56.100 -0.192 0.000 0.980 74 R CB -0.143 29.902 30.300 -0.426 0.000 0.875 74 R HN 0.080 nan 8.270 nan 0.000 0.445 75 A N 1.436 124.260 122.820 0.007 0.000 1.969 75 A HA -0.035 4.285 4.320 0.000 0.000 0.218 75 A C 2.348 179.973 177.584 0.068 0.000 1.169 75 A CA 1.453 53.515 52.037 0.042 0.000 0.635 75 A CB -0.381 18.615 19.000 -0.008 0.000 0.810 75 A HN 0.355 nan 8.150 nan 0.000 0.445 76 A N 0.156 123.008 122.820 0.053 0.000 1.898 76 A HA -0.062 4.258 4.320 0.000 0.000 0.216 76 A C 2.089 179.747 177.584 0.124 0.000 1.181 76 A CA 1.505 53.585 52.037 0.071 0.000 0.620 76 A CB -0.555 18.472 19.000 0.045 0.000 0.819 76 A HN 0.489 nan 8.150 nan 0.000 0.442 77 I N -0.416 120.246 120.570 0.153 0.000 2.252 77 I HA -0.220 3.950 4.170 0.000 0.000 0.245 77 I C 2.260 178.550 176.117 0.290 0.000 1.102 77 I CA 0.964 62.393 61.300 0.215 0.000 1.385 77 I CB -0.313 37.851 38.000 0.274 0.000 1.064 77 I HN 0.264 nan 8.210 nan 0.000 0.414 78 L N 0.200 121.611 121.223 0.313 0.000 2.141 78 L HA -0.154 4.186 4.340 0.000 0.000 0.209 78 L C 2.714 179.796 176.870 0.354 0.000 1.094 78 L CA 1.103 56.185 54.840 0.403 0.000 0.763 78 L CB -0.526 41.744 42.059 0.351 0.000 0.908 78 L HN 0.180 nan 8.230 nan 0.000 0.437 79 R N 0.183 120.829 120.500 0.244 0.000 2.115 79 R HA -0.099 4.241 4.340 0.000 0.000 0.230 79 R C 2.466 178.958 176.300 0.320 0.000 1.111 79 R CA 1.043 57.290 56.100 0.245 0.000 0.976 79 R CB 0.018 30.401 30.300 0.139 0.000 0.870 79 R HN 0.245 nan 8.270 nan 0.000 0.445 80 R N -0.858 119.799 120.500 0.261 0.000 2.092 80 R HA -0.170 4.170 4.340 0.000 0.000 0.231 80 R C 1.908 178.381 176.300 0.289 0.000 1.119 80 R CA 1.447 57.683 56.100 0.226 0.000 0.970 80 R CB -0.444 29.959 30.300 0.172 0.000 0.864 80 R HN 0.337 nan 8.270 nan 0.000 0.440 81 W N 1.383 122.762 121.300 0.132 0.000 2.355 81 W HA -0.227 4.434 4.660 0.000 0.000 0.309 81 W C 1.879 178.482 176.519 0.141 0.000 1.206 81 W CA 0.841 58.254 57.345 0.113 0.000 1.284 81 W CB -0.992 28.541 29.460 0.122 0.000 1.145 81 W HN -0.011 nan 8.180 nan 0.000 0.502 82 F N 2.181 122.130 119.950 -0.002 0.000 2.063 82 F HA -0.339 4.188 4.527 0.000 0.000 0.298 82 F C 2.101 177.876 175.800 -0.041 0.000 1.109 82 F CA 2.819 60.748 58.000 -0.118 0.000 1.212 82 F CB -0.869 38.105 39.000 -0.045 0.000 0.973 82 F HN -0.191 nan 8.300 nan 0.000 0.480 83 D N 0.579 120.922 120.400 -0.096 0.000 2.097 83 D HA -0.183 4.457 4.640 0.000 0.000 0.195 83 D C 2.475 178.683 176.300 -0.153 0.000 0.989 83 D CA 1.734 55.619 54.000 -0.193 0.000 0.827 83 D CB -0.637 40.175 40.800 0.021 0.000 0.966 83 D HN 0.360 nan 8.370 nan 0.000 0.456 84 L N 0.388 121.595 121.223 -0.026 0.000 2.046 84 L HA -0.172 4.168 4.340 0.000 0.000 0.208 84 L C 2.583 179.436 176.870 -0.030 0.000 1.077 84 L CA 0.615 55.459 54.840 0.007 0.000 0.747 84 L CB -0.288 41.826 42.059 0.093 0.000 0.896 84 L HN -0.065 nan 8.230 nan 0.000 0.432 85 V N -0.107 119.760 119.914 -0.079 0.000 2.282 85 V HA -0.333 3.787 4.120 0.000 0.000 0.249 85 V C 2.374 178.376 176.094 -0.154 0.000 1.057 85 V CA 1.660 63.891 62.300 -0.115 0.000 1.032 85 V CB -0.503 31.190 31.823 -0.217 0.000 0.645 85 V HN 0.303 nan 8.190 nan 0.000 0.447 86 I N 0.648 121.048 120.570 -0.284 0.000 2.226 86 I HA -0.201 3.969 4.170 0.000 0.000 0.245 86 I C 2.604 178.640 176.117 -0.136 0.000 1.100 86 I CA 2.029 63.174 61.300 -0.258 0.000 1.374 86 I CB -1.558 36.192 38.000 -0.417 0.000 1.057 86 I HN 0.347 nan 8.210 nan 0.000 0.413 87 A N 0.289 123.044 122.820 -0.109 0.000 2.119 87 A HA -0.085 4.235 4.320 0.000 0.000 0.217 87 A C 1.655 179.223 177.584 -0.026 0.000 1.153 87 A CA 1.022 53.026 52.037 -0.054 0.000 0.692 87 A CB -0.462 18.515 19.000 -0.037 0.000 0.799 87 A HN 0.500 nan 8.150 nan 0.000 0.458 88 N N -0.786 117.901 118.700 -0.022 0.000 2.235 88 N HA 0.014 4.754 4.740 0.000 0.000 0.231 88 N C 1.255 176.768 175.510 0.004 0.000 1.177 88 N CA 0.690 53.743 53.050 0.005 0.000 0.874 88 N CB 0.637 39.145 38.487 0.034 0.000 1.097 88 N HN 0.430 nan 8.380 nan 0.000 0.518 89 S N 1.669 117.360 115.700 -0.015 0.000 2.380 89 S HA -0.207 4.264 4.470 0.000 0.000 0.229 89 S C 1.377 175.982 174.600 0.007 0.000 1.043 89 S CA 1.523 59.718 58.200 -0.008 0.000 1.038 89 S CB 0.017 63.204 63.200 -0.022 0.000 0.872 89 S HN 0.190 nan 8.310 nan 0.000 0.456 90 D N 1.148 121.550 120.400 0.004 0.000 2.078 90 D HA -0.082 4.558 4.640 0.000 0.000 0.193 90 D C 1.783 178.088 176.300 0.008 0.000 0.990 90 D CA 1.528 55.532 54.000 0.006 0.000 0.827 90 D CB -0.764 40.038 40.800 0.003 0.000 0.975 90 D HN 0.442 nan 8.370 nan 0.000 0.451 91 D N 0.335 120.740 120.400 0.008 0.000 2.123 91 D HA -0.099 4.541 4.640 0.000 0.000 0.196 91 D C 2.397 178.704 176.300 0.012 0.000 0.992 91 D CA 0.389 54.392 54.000 0.005 0.000 0.833 91 D CB -0.386 40.419 40.800 0.009 0.000 0.954 91 D HN 0.189 nan 8.370 nan 0.000 0.455 92 L N 0.568 121.808 121.223 0.029 0.000 2.042 92 L HA -0.178 4.162 4.340 0.000 0.000 0.210 92 L C 2.509 179.405 176.870 0.042 0.000 1.076 92 L CA 1.269 56.136 54.840 0.046 0.000 0.749 92 L CB -0.389 41.705 42.059 0.059 0.000 0.893 92 L HN -0.021 nan 8.230 nan 0.000 0.432 93 A N -0.309 122.531 122.820 0.033 0.000 1.902 93 A HA -0.219 4.101 4.320 0.000 0.000 0.217 93 A C 2.196 179.793 177.584 0.022 0.000 1.181 93 A CA 1.674 53.729 52.037 0.031 0.000 0.623 93 A CB -0.663 18.353 19.000 0.027 0.000 0.818 93 A HN 0.309 nan 8.150 nan 0.000 0.443 94 L N -0.001 121.228 121.223 0.011 0.000 2.017 94 L HA -0.094 4.246 4.340 0.000 0.000 0.208 94 L C 2.258 179.124 176.870 -0.006 0.000 1.073 94 L CA 1.696 56.536 54.840 -0.001 0.000 0.745 94 L CB -0.600 41.452 42.059 -0.011 0.000 0.894 94 L HN 0.437 nan 8.230 nan 0.000 0.432 95 I N -1.016 119.548 120.570 -0.010 0.000 2.145 95 I HA -0.381 3.790 4.170 0.000 0.000 0.244 95 I C 2.520 178.658 176.117 0.036 0.000 1.075 95 I CA 1.734 63.026 61.300 -0.014 0.000 1.332 95 I CB -0.335 37.664 38.000 -0.001 0.000 1.033 95 I HN 0.321 nan 8.210 nan 0.000 0.410 96 L N -0.128 121.125 121.223 0.050 0.000 1.994 96 L HA -0.250 4.090 4.340 0.000 0.000 0.208 96 L C 2.635 179.528 176.870 0.039 0.000 1.071 96 L CA 1.842 56.718 54.840 0.060 0.000 0.745 96 L CB -0.392 41.699 42.059 0.052 0.000 0.892 96 L HN 0.244 nan 8.230 nan 0.000 0.431 97 T N -1.028 113.540 114.554 0.022 0.000 2.652 97 T HA -0.215 4.135 4.350 0.000 0.000 0.267 97 T C 1.717 176.426 174.700 0.015 0.000 1.039 97 T CA 2.072 64.181 62.100 0.014 0.000 1.153 97 T CB -0.425 68.451 68.868 0.014 0.000 0.863 97 T HN 0.438 nan 8.240 nan 0.000 0.428 98 T N 2.123 116.684 114.554 0.012 0.000 2.685 98 T HA -0.197 4.153 4.350 0.000 0.000 0.268 98 T C 1.980 176.697 174.700 0.029 0.000 1.034 98 T CA 1.877 63.981 62.100 0.006 0.000 1.149 98 T CB -0.320 68.533 68.868 -0.025 0.000 0.860 98 T HN 0.792 nan 8.240 nan 0.000 0.449 99 E N -0.126 120.114 120.200 0.065 0.000 2.251 99 E HA 0.038 4.389 4.350 0.000 0.000 0.194 99 E C 2.255 178.898 176.600 0.072 0.000 0.964 99 E CA 0.253 56.724 56.400 0.118 0.000 0.868 99 E CB -0.100 29.752 29.700 0.252 0.000 0.828 99 E HN 0.268 nan 8.360 nan 0.000 0.481 100 Q N 0.131 119.963 119.800 0.053 0.000 2.394 100 Q HA 0.093 4.433 4.340 0.000 0.000 0.218 100 Q C 1.186 177.183 176.000 -0.004 0.000 0.907 100 Q CA 1.362 57.192 55.803 0.044 0.000 0.919 100 Q CB 1.112 29.892 28.738 0.069 0.000 1.051 100 Q HN 0.478 nan 8.270 nan 0.000 0.538 101 G N 1.679 110.468 108.800 -0.018 0.000 2.376 101 G HA2 -0.272 3.688 3.960 0.000 0.000 0.208 101 G HA3 -0.272 3.688 3.960 0.000 0.000 0.208 101 G C 0.057 174.944 174.900 -0.023 0.000 1.032 101 G CA 0.099 45.167 45.100 -0.052 0.000 0.641 101 G HN 0.427 nan 8.290 nan 0.000 0.503 102 K N 1.865 122.255 120.400 -0.017 0.000 2.494 102 K HA 0.390 4.710 4.320 0.000 0.000 0.273 102 K C -2.530 174.074 176.600 0.007 0.000 0.970 102 K CA -0.570 55.710 56.287 -0.012 0.000 0.963 102 K CB 0.173 32.637 32.500 -0.059 0.000 0.913 102 K HN 0.186 nan 8.250 nan 0.000 0.502 103 P HA -0.061 nan 4.420 nan 0.000 0.268 103 P C 0.670 177.981 177.300 0.018 0.000 1.208 103 P CA -0.142 62.974 63.100 0.028 0.000 0.777 103 P CB 0.461 32.180 31.700 0.032 0.000 0.875 104 L N 1.789 123.025 121.223 0.021 0.000 2.081 104 L HA -0.306 4.034 4.340 0.000 0.000 0.212 104 L C 2.206 179.089 176.870 0.021 0.000 1.080 104 L CA 2.139 56.990 54.840 0.019 0.000 0.754 104 L CB -0.730 41.340 42.059 0.017 0.000 0.893 104 L HN 0.461 nan 8.230 nan 0.000 0.433 105 A N -0.531 122.303 122.820 0.022 0.000 1.873 105 A HA -0.221 4.099 4.320 0.000 0.000 0.215 105 A C 2.111 179.713 177.584 0.030 0.000 1.186 105 A CA 1.589 53.641 52.037 0.025 0.000 0.616 105 A CB -0.410 18.605 19.000 0.024 0.000 0.823 105 A HN 0.456 nan 8.150 nan 0.000 0.442 106 E N -0.308 119.907 120.200 0.025 0.000 2.106 106 E HA -0.090 4.260 4.350 0.000 0.000 0.192 106 E C 2.318 178.929 176.600 0.019 0.000 0.984 106 E CA 0.782 57.195 56.400 0.022 0.000 0.806 106 E CB -0.258 29.443 29.700 0.003 0.000 0.750 106 E HN 0.617 nan 8.360 nan 0.000 0.458 107 A N 1.858 124.685 122.820 0.012 0.000 1.877 107 A HA -0.225 4.095 4.320 0.000 0.000 0.216 107 A C 1.991 179.606 177.584 0.052 0.000 1.186 107 A CA 1.489 53.539 52.037 0.022 0.000 0.620 107 A CB -0.284 18.727 19.000 0.018 0.000 0.822 107 A HN 0.041 nan 8.150 nan 0.000 0.443 108 K N -0.795 119.632 120.400 0.045 0.000 2.097 108 K HA -0.069 4.251 4.320 0.000 0.000 0.205 108 K C 2.145 178.787 176.600 0.070 0.000 1.050 108 K CA 0.880 57.197 56.287 0.050 0.000 0.938 108 K CB -0.435 32.086 32.500 0.035 0.000 0.718 108 K HN 0.475 nan 8.250 nan 0.000 0.442 109 G N 1.577 110.422 108.800 0.075 0.000 2.514 109 G HA2 -0.339 3.621 3.960 0.000 0.000 0.217 109 G HA3 -0.339 3.621 3.960 0.000 0.000 0.217 109 G C 1.328 176.327 174.900 0.165 0.000 1.198 109 G CA 1.012 46.169 45.100 0.096 0.000 0.780 109 G HN 0.400 nan 8.290 nan 0.000 0.565 110 E N -0.120 120.201 120.200 0.200 0.000 2.160 110 E HA -0.142 4.208 4.350 0.000 0.000 0.195 110 E C 2.481 179.260 176.600 0.298 0.000 0.991 110 E CA 0.725 57.331 56.400 0.343 0.000 0.810 110 E CB -0.076 29.823 29.700 0.331 0.000 0.742 110 E HN 0.371 nan 8.360 nan 0.000 0.466 111 I N 1.020 121.697 120.570 0.178 0.000 2.202 111 I HA -0.192 3.978 4.170 0.000 0.000 0.242 111 I C 2.588 178.770 176.117 0.109 0.000 1.091 111 I CA 1.242 62.614 61.300 0.120 0.000 1.368 111 I CB -1.633 36.407 38.000 0.067 0.000 1.058 111 I HN 0.128 nan 8.210 nan 0.000 0.410 112 A N 0.045 122.935 122.820 0.115 0.000 1.933 112 A HA -0.281 4.040 4.320 0.000 0.000 0.218 112 A C 2.358 180.034 177.584 0.152 0.000 1.175 112 A CA 1.545 53.645 52.037 0.104 0.000 0.628 112 A CB -1.080 17.975 19.000 0.092 0.000 0.814 112 A HN 0.491 nan 8.150 nan 0.000 0.444 113 Y N 0.441 120.775 120.300 0.056 0.000 2.263 113 Y HA 0.052 4.602 4.550 0.000 0.000 0.292 113 Y C 2.562 178.542 175.900 0.132 0.000 1.130 113 Y CA 0.861 58.984 58.100 0.039 0.000 1.179 113 Y CB -0.513 37.997 38.460 0.083 0.000 0.998 113 Y HN 0.295 nan 8.280 nan 0.000 0.532 114 A N 0.571 123.485 122.820 0.157 0.000 1.873 114 A HA -0.055 4.265 4.320 0.000 0.000 0.215 114 A C 2.447 180.069 177.584 0.063 0.000 1.186 114 A CA 1.774 53.877 52.037 0.110 0.000 0.616 114 A CB -1.499 17.560 19.000 0.099 0.000 0.823 114 A HN 0.565 nan 8.150 nan 0.000 0.442 115 A N 0.474 123.325 122.820 0.052 0.000 1.908 115 A HA -0.156 4.164 4.320 0.000 0.000 0.218 115 A C 2.535 180.267 177.584 0.247 0.000 1.181 115 A CA 2.594 54.708 52.037 0.128 0.000 0.627 115 A CB -1.081 17.954 19.000 0.058 0.000 0.818 115 A HN 1.083 nan 8.150 nan 0.000 0.445 116 S N -1.021 114.728 115.700 0.082 0.000 2.399 116 S HA -0.153 4.317 4.470 0.000 0.000 0.231 116 S C 1.724 176.202 174.600 -0.203 0.000 1.022 116 S CA 1.486 59.639 58.200 -0.079 0.000 0.983 116 S CB -0.789 62.292 63.200 -0.198 0.000 0.803 116 S HN 0.369 nan 8.310 nan 0.000 0.480 117 F N 1.924 121.791 119.950 -0.138 0.000 2.134 117 F HA 0.141 4.668 4.527 0.000 0.000 0.299 117 F C 2.283 178.126 175.800 0.071 0.000 1.097 117 F CA 0.768 58.720 58.000 -0.079 0.000 1.264 117 F CB -0.547 38.407 39.000 -0.077 0.000 1.001 117 F HN 0.182 nan 8.300 nan 0.000 0.479 118 I N -0.197 120.483 120.570 0.182 0.000 2.163 118 I HA -0.317 3.853 4.170 0.000 0.000 0.243 118 I C 2.525 178.660 176.117 0.029 0.000 1.085 118 I CA 1.796 63.153 61.300 0.096 0.000 1.347 118 I CB -0.597 37.338 38.000 -0.107 0.000 1.044 118 I HN 0.204 nan 8.210 nan 0.000 0.408 119 E N 0.809 120.886 120.200 -0.206 0.000 2.058 119 E HA -0.282 4.068 4.350 0.000 0.000 0.194 119 E C 2.206 178.682 176.600 -0.206 0.000 0.997 119 E CA 1.588 57.703 56.400 -0.475 0.000 0.801 119 E CB -0.275 28.902 29.700 -0.870 0.000 0.746 119 E HN 0.587 nan 8.360 nan 0.000 0.450 120 W N 0.330 121.428 121.300 -0.336 0.000 2.335 120 W HA -0.246 4.414 4.660 0.000 0.000 0.311 120 W C 1.497 177.801 176.519 -0.358 0.000 1.213 120 W CA 1.205 58.309 57.345 -0.402 0.000 1.274 120 W CB -0.375 28.735 29.460 -0.583 0.000 1.148 120 W HN 0.137 nan 8.180 nan 0.000 0.498 121 F N 0.846 120.858 119.950 0.102 0.000 2.293 121 F HA 0.018 4.545 4.527 0.000 0.000 0.297 121 F C 2.720 178.498 175.800 -0.036 0.000 1.089 121 F CA 1.488 59.506 58.000 0.030 0.000 1.377 121 F CB -1.482 37.593 39.000 0.124 0.000 1.051 121 F HN -0.123 nan 8.300 nan 0.000 0.511 122 A N 0.372 123.263 122.820 0.118 0.000 1.903 122 A HA -0.278 4.042 4.320 0.000 0.000 0.219 122 A C 2.134 179.680 177.584 -0.063 0.000 1.191 122 A CA 2.324 54.384 52.037 0.038 0.000 0.638 122 A CB -0.838 18.159 19.000 -0.006 0.000 0.823 122 A HN 0.456 nan 8.150 nan 0.000 0.451 123 E N -0.946 119.142 120.200 -0.186 0.000 2.046 123 E HA -0.128 4.223 4.350 0.000 0.000 0.190 123 E C 2.099 178.527 176.600 -0.287 0.000 0.982 123 E CA 0.802 57.038 56.400 -0.273 0.000 0.800 123 E CB -0.154 29.299 29.700 -0.412 0.000 0.756 123 E HN 0.480 nan 8.360 nan 0.000 0.449 124 E N 0.469 120.452 120.200 -0.362 0.000 2.130 124 E HA -0.171 4.179 4.350 0.000 0.000 0.196 124 E C 2.217 178.791 176.600 -0.042 0.000 0.998 124 E CA 1.172 57.439 56.400 -0.222 0.000 0.806 124 E CB -0.524 29.131 29.700 -0.075 0.000 0.738 124 E HN 0.374 nan 8.360 nan 0.000 0.459 125 G N 1.397 110.203 108.800 0.010 0.000 2.469 125 G HA2 -0.287 3.673 3.960 0.000 0.000 0.220 125 G HA3 -0.287 3.673 3.960 0.000 0.000 0.220 125 G C 1.466 176.355 174.900 -0.018 0.000 1.136 125 G CA 0.888 46.003 45.100 0.025 0.000 0.759 125 G HN 0.275 nan 8.290 nan 0.000 0.562 126 K N -0.396 119.971 120.400 -0.055 0.000 2.487 126 K HA 0.160 4.480 4.320 0.000 0.000 0.192 126 K C 1.986 178.546 176.600 -0.066 0.000 1.027 126 K CA 0.126 56.375 56.287 -0.064 0.000 1.054 126 K CB 0.283 32.735 32.500 -0.079 0.000 0.824 126 K HN 0.156 nan 8.250 nan 0.000 0.510 127 R N 0.229 120.688 120.500 -0.068 0.000 2.476 127 R HA 0.123 4.463 4.340 0.000 0.000 0.276 127 R C -0.241 176.037 176.300 -0.036 0.000 0.941 127 R CA -0.151 55.907 56.100 -0.070 0.000 1.088 127 R CB 0.923 31.155 30.300 -0.114 0.000 1.216 127 R HN -0.130 nan 8.270 nan 0.000 0.533 128 V N 2.210 122.122 119.914 -0.004 0.000 2.452 128 V HA 0.106 4.226 4.120 0.000 0.000 0.286 128 V C 0.304 176.407 176.094 0.016 0.000 0.995 128 V CA 0.263 62.580 62.300 0.028 0.000 1.116 128 V CB 0.175 32.030 31.823 0.053 0.000 0.954 128 V HN 0.233 nan 8.190 nan 0.000 0.473 129 A N 4.636 127.465 122.820 0.014 0.000 2.435 129 A HA 0.910 5.230 4.320 0.000 0.000 0.304 129 A C 0.282 177.877 177.584 0.018 0.000 1.064 129 A CA -0.002 52.038 52.037 0.005 0.000 0.727 129 A CB 1.798 20.788 19.000 -0.017 0.000 1.284 129 A HN 0.877 nan 8.150 nan 0.000 0.415 130 G N -0.007 108.805 108.800 0.020 0.000 2.702 130 G HA2 0.637 4.597 3.960 0.000 0.000 0.254 130 G HA3 0.637 4.597 3.960 0.000 0.000 0.254 130 G C -1.045 173.866 174.900 0.018 0.000 1.380 130 G CA -0.307 44.810 45.100 0.028 0.000 1.042 130 G HN 0.773 nan 8.290 nan 0.000 0.557 131 D N -1.830 118.584 120.400 0.024 0.000 2.559 131 D HA 0.533 5.173 4.640 0.000 0.000 0.250 131 D C -0.671 175.644 176.300 0.025 0.000 1.135 131 D CA -0.611 53.398 54.000 0.017 0.000 0.955 131 D CB 1.618 42.424 40.800 0.010 0.000 1.442 131 D HN 0.533 nan 8.370 nan 0.000 0.471 132 T N -1.195 113.370 114.554 0.019 0.000 2.809 132 T HA 0.699 5.049 4.350 0.000 0.000 0.284 132 T C -0.584 174.126 174.700 0.017 0.000 0.992 132 T CA -0.809 61.306 62.100 0.024 0.000 0.957 132 T CB 0.128 69.008 68.868 0.019 0.000 0.942 132 T HN 0.325 nan 8.240 nan 0.000 0.439 133 L N 3.343 124.579 121.223 0.021 0.000 2.333 133 L HA 0.633 4.973 4.340 0.000 0.000 0.269 133 L C -2.295 174.583 176.870 0.013 0.000 1.010 133 L CA -2.793 52.053 54.840 0.010 0.000 0.818 133 L CB 1.566 43.622 42.059 -0.004 0.000 1.306 133 L HN 0.427 nan 8.230 nan 0.000 0.430 134 P HA 0.061 nan 4.420 nan 0.000 0.271 134 P C -0.407 176.900 177.300 0.011 0.000 1.226 134 P CA -0.122 62.983 63.100 0.009 0.000 0.765 134 P CB 0.688 32.391 31.700 0.004 0.000 0.835 135 T N 3.408 117.973 114.554 0.018 0.000 2.909 135 T HA 0.360 4.710 4.350 0.000 0.000 0.289 135 T C -1.445 173.266 174.700 0.018 0.000 1.005 135 T CA -1.666 60.449 62.100 0.025 0.000 1.084 135 T CB 0.117 69.007 68.868 0.036 0.000 0.975 135 T HN 0.291 nan 8.240 nan 0.000 0.509 136 P HA 0.316 nan 4.420 nan 0.000 0.261 136 P C -0.752 176.559 177.300 0.018 0.000 1.352 136 P CA 0.068 63.176 63.100 0.014 0.000 0.891 136 P CB 0.200 31.906 31.700 0.010 0.000 1.383 137 D N -0.092 120.322 120.400 0.023 0.000 2.616 137 D HA 0.326 4.966 4.640 0.000 0.000 0.238 137 D C 0.814 177.126 176.300 0.020 0.000 1.354 137 D CA -0.567 53.446 54.000 0.021 0.000 0.970 137 D CB 1.867 42.683 40.800 0.026 0.000 1.369 137 D HN -0.141 nan 8.370 nan 0.000 0.585 138 A N 3.929 126.757 122.820 0.015 0.000 2.084 138 A HA -0.208 4.112 4.320 0.000 0.000 0.221 138 A C 1.292 178.883 177.584 0.012 0.000 1.161 138 A CA 1.173 53.217 52.037 0.012 0.000 0.653 138 A CB -0.270 18.735 19.000 0.009 0.000 0.802 138 A HN 0.556 nan 8.150 nan 0.000 0.457 139 N N -0.131 118.577 118.700 0.013 0.000 2.370 139 N HA 0.149 4.889 4.740 0.000 0.000 0.198 139 N C -0.491 175.027 175.510 0.013 0.000 1.156 139 N CA 0.473 53.530 53.050 0.011 0.000 0.839 139 N CB 0.263 38.755 38.487 0.008 0.000 0.989 139 N HN 0.525 nan 8.380 nan 0.000 0.468 140 K N 0.052 120.464 120.400 0.021 0.000 2.502 140 K HA 0.451 4.771 4.320 0.000 0.000 0.257 140 K C -0.684 175.939 176.600 0.037 0.000 0.938 140 K CA -0.809 55.495 56.287 0.028 0.000 0.819 140 K CB 2.351 34.874 32.500 0.039 0.000 1.333 140 K HN -0.219 nan 8.250 nan 0.000 0.434 141 R N 1.694 122.219 120.500 0.041 0.000 2.670 141 R HA 0.524 4.864 4.340 0.000 0.000 0.289 141 R C -0.602 175.754 176.300 0.093 0.000 0.965 141 R CA -0.753 55.378 56.100 0.052 0.000 0.899 141 R CB 1.218 31.538 30.300 0.033 0.000 1.173 141 R HN 0.596 nan 8.270 nan 0.000 0.456 142 I N 2.432 123.071 120.570 0.114 0.000 2.328 142 I HA 0.296 4.466 4.170 0.000 0.000 0.287 142 I C -0.398 175.803 176.117 0.140 0.000 1.012 142 I CA -0.779 60.638 61.300 0.195 0.000 1.195 142 I CB 1.649 39.739 38.000 0.150 0.000 1.350 142 I HN 0.036 nan 8.210 nan 0.000 0.464 143 V N 7.150 127.163 119.914 0.165 0.000 2.487 143 V HA 0.444 4.564 4.120 0.000 0.000 0.298 143 V C -0.182 176.003 176.094 0.152 0.000 1.028 143 V CA -0.733 61.632 62.300 0.109 0.000 0.860 143 V CB 2.131 33.990 31.823 0.061 0.000 0.991 143 V HN 0.354 nan 8.190 nan 0.000 0.427 144 V N 5.617 125.598 119.914 0.112 0.000 2.448 144 V HA 0.644 4.764 4.120 0.000 0.000 0.295 144 V C -0.105 176.033 176.094 0.074 0.000 1.025 144 V CA -0.549 61.820 62.300 0.114 0.000 0.859 144 V CB 1.897 33.770 31.823 0.082 0.000 0.988 144 V HN 0.778 nan 8.190 nan 0.000 0.431 145 V N 2.521 122.479 119.914 0.075 0.000 2.919 145 V HA 0.742 4.862 4.120 0.000 0.000 0.316 145 V C -0.576 175.557 176.094 0.064 0.000 1.077 145 V CA -1.044 61.290 62.300 0.055 0.000 0.977 145 V CB 2.019 33.866 31.823 0.040 0.000 1.039 145 V HN 0.775 nan 8.190 nan 0.000 0.441 146 K N 1.840 122.275 120.400 0.060 0.000 2.207 146 K HA 0.723 5.043 4.320 0.000 0.000 0.255 146 K C -0.829 175.819 176.600 0.080 0.000 0.941 146 K CA -0.565 55.767 56.287 0.074 0.000 0.825 146 K CB 1.991 34.536 32.500 0.076 0.000 1.119 146 K HN 1.014 nan 8.250 nan 0.000 0.430 147 E N 1.456 121.719 120.200 0.105 0.000 2.433 147 E HA 0.391 4.741 4.350 0.000 0.000 0.278 147 E C -2.951 173.767 176.600 0.198 0.000 0.976 147 E CA -2.549 53.928 56.400 0.130 0.000 0.793 147 E CB 1.654 31.418 29.700 0.108 0.000 1.311 147 E HN 0.171 nan 8.360 nan 0.000 0.460 148 P HA 0.028 nan 4.420 nan 0.000 0.268 148 P C 0.464 177.989 177.300 0.375 0.000 1.204 148 P CA 0.028 63.350 63.100 0.370 0.000 0.768 148 P CB 1.060 33.116 31.700 0.594 0.000 0.842 149 I N 1.440 122.103 120.570 0.156 0.000 2.315 149 I HA -0.077 4.093 4.170 0.000 0.000 0.248 149 I C 1.097 177.075 176.117 -0.232 0.000 1.117 149 I CA 2.076 63.394 61.300 0.031 0.000 1.404 149 I CB -0.290 37.696 38.000 -0.023 0.000 1.071 149 I HN 0.705 nan 8.210 nan 0.000 0.419 150 G N -0.687 107.732 108.800 -0.636 0.000 2.240 150 G HA2 -0.098 3.862 3.960 0.000 0.000 0.199 150 G HA3 -0.098 3.862 3.960 0.000 0.000 0.199 150 G C -0.872 173.492 174.900 -0.894 0.000 1.342 150 G CA -0.233 43.972 45.100 -1.492 0.000 1.145 150 G HN -0.067 nan 8.290 nan 0.000 0.477 151 V N 0.969 120.505 119.914 -0.629 0.000 2.450 151 V HA 0.343 4.463 4.120 0.000 0.000 0.281 151 V C 0.714 176.680 176.094 -0.214 0.000 1.019 151 V CA 0.060 62.157 62.300 -0.339 0.000 1.062 151 V CB -0.158 31.538 31.823 -0.212 0.000 0.979 151 V HN 0.804 nan 8.190 nan 0.000 0.477 152 C N 4.717 123.927 119.300 -0.150 0.000 2.399 152 C HA 0.937 5.397 4.460 0.000 0.000 0.348 152 C C 0.595 175.559 174.990 -0.043 0.000 1.183 152 C CA -0.615 58.364 59.018 -0.066 0.000 2.023 152 C CB 1.036 28.801 27.740 0.041 0.000 2.361 152 C HN 0.998 nan 8.230 nan 0.000 0.521 153 A N 0.978 123.787 122.820 -0.018 0.000 2.454 153 A HA 0.972 5.293 4.320 0.000 0.000 0.302 153 A C -0.999 176.604 177.584 0.032 0.000 1.079 153 A CA -0.339 51.697 52.037 -0.002 0.000 0.731 153 A CB 1.281 20.275 19.000 -0.011 0.000 1.299 153 A HN 1.580 nan 8.150 nan 0.000 0.413 154 A N 1.033 123.879 122.820 0.043 0.000 2.427 154 A HA 0.733 5.053 4.320 0.000 0.000 0.298 154 A C -1.196 176.435 177.584 0.078 0.000 1.036 154 A CA -0.265 51.810 52.037 0.064 0.000 0.701 154 A CB 0.806 19.838 19.000 0.054 0.000 1.250 154 A HN 0.753 nan 8.150 nan 0.000 0.412 155 I N 2.557 123.199 120.570 0.121 0.000 2.389 155 I HA 0.459 4.629 4.170 0.000 0.000 0.288 155 I C 0.224 176.373 176.117 0.054 0.000 0.999 155 I CA -0.321 61.069 61.300 0.150 0.000 1.129 155 I CB 2.326 40.511 38.000 0.309 0.000 1.288 155 I HN 0.750 nan 8.210 nan 0.000 0.444 156 T N 4.119 118.685 114.554 0.019 0.000 2.885 156 T HA 0.671 5.022 4.350 0.000 0.000 0.285 156 T C -2.663 172.005 174.700 -0.053 0.000 1.019 156 T CA -2.049 60.021 62.100 -0.051 0.000 1.010 156 T CB 2.268 71.127 68.868 -0.016 0.000 1.022 156 T HN 0.223 nan 8.240 nan 0.000 0.466 157 P HA 0.291 nan 4.420 nan 0.000 0.297 157 P C 0.726 177.964 177.300 -0.104 0.000 1.307 157 P CA -0.797 62.193 63.100 -0.182 0.000 0.773 157 P CB 0.966 32.428 31.700 -0.397 0.000 1.265 158 W N 0.473 121.750 121.300 -0.038 0.000 2.812 158 W HA 0.016 4.676 4.660 0.000 0.000 0.263 158 W C 1.126 177.634 176.519 -0.019 0.000 1.284 158 W CA 0.417 57.743 57.345 -0.031 0.000 1.430 158 W CB -1.789 27.634 29.460 -0.062 0.000 1.088 158 W HN 0.221 nan 8.180 nan 0.000 0.623 159 N N 1.457 119.839 118.700 -0.530 0.000 2.309 159 N HA -0.191 4.550 4.740 0.000 0.000 0.182 159 N C -0.076 175.326 175.510 -0.179 0.000 1.018 159 N CA 0.855 53.681 53.050 -0.372 0.000 0.876 159 N CB -1.035 37.052 38.487 -0.667 0.000 0.972 159 N HN 0.102 nan 8.380 nan 0.000 0.434 160 F N 1.123 121.014 119.950 -0.099 0.000 2.523 160 F HA 0.379 4.906 4.527 0.000 0.000 0.322 160 F C -1.714 174.097 175.800 0.019 0.000 1.361 160 F CA -2.057 55.939 58.000 -0.005 0.000 1.151 160 F CB 1.769 40.768 39.000 -0.000 0.000 1.391 160 F HN -0.125 nan 8.300 nan 0.000 0.566 161 P HA -0.129 nan 4.420 nan 0.000 0.228 161 P C 0.966 178.351 177.300 0.141 0.000 1.151 161 P CA 1.122 64.301 63.100 0.132 0.000 0.770 161 P CB 0.448 32.226 31.700 0.131 0.000 0.786 162 A N 0.275 123.196 122.820 0.168 0.000 1.944 162 A HA 0.418 4.738 4.320 0.000 0.000 0.209 162 A C 2.393 180.063 177.584 0.144 0.000 1.328 162 A CA 0.873 53.006 52.037 0.161 0.000 0.693 162 A CB -1.216 17.880 19.000 0.160 0.000 0.994 162 A HN 0.112 nan 8.150 nan 0.000 0.485 163 A N -0.428 122.514 122.820 0.202 0.000 1.948 163 A HA -0.173 4.147 4.320 0.000 0.000 0.220 163 A C 2.135 179.659 177.584 -0.100 0.000 1.177 163 A CA 2.129 54.223 52.037 0.096 0.000 0.636 163 A CB -0.590 18.569 19.000 0.265 0.000 0.815 163 A HN 0.405 nan 8.150 nan 0.000 0.449 164 M N -0.282 119.298 119.600 -0.033 0.000 2.149 164 M HA -0.115 4.365 4.480 0.000 0.000 0.261 164 M C 1.942 178.197 176.300 -0.075 0.000 1.064 164 M CA 1.241 56.479 55.300 -0.102 0.000 1.102 164 M CB -1.135 31.439 32.600 -0.044 0.000 1.369 164 M HN 0.360 nan 8.290 nan 0.000 0.408 165 I N -0.281 120.296 120.570 0.012 0.000 2.439 165 I HA -0.130 4.040 4.170 0.000 0.000 0.251 165 I C 2.525 178.696 176.117 0.090 0.000 1.139 165 I CA 1.182 62.527 61.300 0.075 0.000 1.438 165 I CB -1.869 36.222 38.000 0.151 0.000 1.085 165 I HN 0.137 nan 8.210 nan 0.000 0.427 166 A N 0.986 123.815 122.820 0.014 0.000 1.897 166 A HA -0.138 4.182 4.320 0.000 0.000 0.215 166 A C 2.446 179.966 177.584 -0.106 0.000 1.181 166 A CA 0.959 52.979 52.037 -0.027 0.000 0.620 166 A CB -0.535 18.433 19.000 -0.053 0.000 0.821 166 A HN 0.272 nan 8.150 nan 0.000 0.443 167 R N -0.596 119.687 120.500 -0.362 0.000 2.237 167 R HA -0.036 4.304 4.340 0.000 0.000 0.219 167 R C 1.529 177.656 176.300 -0.287 0.000 1.080 167 R CA 1.344 57.107 56.100 -0.561 0.000 0.995 167 R CB -0.017 29.796 30.300 -0.812 0.000 0.875 167 R HN 0.506 nan 8.270 nan 0.000 0.462 168 K N -1.171 119.129 120.400 -0.167 0.000 2.380 168 K HA 0.110 4.430 4.320 0.000 0.000 0.200 168 K C 1.813 178.345 176.600 -0.114 0.000 1.201 168 K CA 0.203 56.429 56.287 -0.102 0.000 0.916 168 K CB 0.423 32.911 32.500 -0.021 0.000 1.187 168 K HN -0.095 nan 8.250 nan 0.000 0.498 169 V N 1.681 121.585 119.914 -0.017 0.000 2.358 169 V HA -0.151 3.969 4.120 0.000 0.000 0.246 169 V C 2.350 178.453 176.094 0.015 0.000 1.047 169 V CA 2.312 64.632 62.300 0.033 0.000 1.035 169 V CB -0.940 30.994 31.823 0.185 0.000 0.658 169 V HN 0.469 nan 8.190 nan 0.000 0.452 170 G N 1.451 110.285 108.800 0.057 0.000 2.545 170 G HA2 -0.226 3.734 3.960 0.000 0.000 0.217 170 G HA3 -0.226 3.734 3.960 0.000 0.000 0.217 170 G C 0.090 174.840 174.900 -0.250 0.000 1.218 170 G CA 1.377 46.531 45.100 0.089 0.000 0.787 170 G HN 0.551 nan 8.290 nan 0.000 0.571 171 P HA -0.083 nan 4.420 nan 0.000 0.215 171 P C 2.098 178.879 177.300 -0.865 0.000 1.153 171 P CA 2.160 64.527 63.100 -1.222 0.000 0.853 171 P CB -0.251 30.472 31.700 -1.629 0.000 0.788 172 A N 0.105 122.377 122.820 -0.914 0.000 1.851 172 A HA -0.192 4.128 4.320 0.000 0.000 0.216 172 A C 2.303 179.856 177.584 -0.053 0.000 1.195 172 A CA 1.842 53.609 52.037 -0.451 0.000 0.622 172 A CB -1.722 17.165 19.000 -0.189 0.000 0.831 172 A HN 0.087 nan 8.150 nan 0.000 0.444 173 L N -0.448 120.794 121.223 0.032 0.000 2.042 173 L HA -0.160 4.180 4.340 0.000 0.000 0.210 173 L C 2.936 180.078 176.870 0.453 0.000 1.076 173 L CA 2.022 57.066 54.840 0.338 0.000 0.749 173 L CB -0.719 41.507 42.059 0.278 0.000 0.893 173 L HN 0.417 nan 8.230 nan 0.000 0.432 174 A N -1.270 121.675 122.820 0.209 0.000 2.066 174 A HA 0.054 4.374 4.320 0.000 0.000 0.218 174 A C 2.363 180.011 177.584 0.107 0.000 1.157 174 A CA 1.202 53.332 52.037 0.155 0.000 0.670 174 A CB -0.645 18.449 19.000 0.158 0.000 0.804 174 A HN 0.358 nan 8.150 nan 0.000 0.453 175 A N -1.764 121.116 122.820 0.100 0.000 2.119 175 A HA 0.393 4.714 4.320 0.000 0.000 0.216 175 A C 1.752 179.448 177.584 0.187 0.000 1.152 175 A CA 1.400 53.515 52.037 0.130 0.000 0.708 175 A CB -0.585 18.505 19.000 0.149 0.000 0.805 175 A HN 1.763 nan 8.150 nan 0.000 0.460 176 G N -2.652 106.303 108.800 0.257 0.000 2.154 176 G HA2 -0.172 3.788 3.960 0.000 0.000 0.186 176 G HA3 -0.172 3.788 3.960 0.000 0.000 0.186 176 G C -0.008 175.287 174.900 0.658 0.000 1.000 176 G CA -0.155 45.143 45.100 0.331 0.000 0.664 176 G HN 0.578 nan 8.290 nan 0.000 0.513 177 C N 1.986 121.581 119.300 0.491 0.000 2.366 177 C HA 0.814 5.275 4.460 0.000 0.000 0.345 177 C C -1.695 173.339 174.990 0.073 0.000 1.209 177 C CA -1.375 57.769 59.018 0.210 0.000 2.050 177 C CB 1.753 29.532 27.740 0.066 0.000 2.359 177 C HN 0.402 nan 8.230 nan 0.000 0.527 178 P HA 0.614 nan 4.420 nan 0.000 0.287 178 P C -1.096 176.104 177.300 -0.167 0.000 1.270 178 P CA -0.320 62.651 63.100 -0.214 0.000 0.844 178 P CB 1.316 32.917 31.700 -0.163 0.000 1.068 179 I N 0.922 121.393 120.570 -0.165 0.000 2.686 179 I HA 0.355 4.525 4.170 0.000 0.000 0.295 179 I C -1.414 174.646 176.117 -0.095 0.000 1.114 179 I CA -1.230 60.009 61.300 -0.101 0.000 1.038 179 I CB 2.293 40.257 38.000 -0.060 0.000 1.238 179 I HN -0.049 nan 8.210 nan 0.000 0.420 180 V N 7.481 127.357 119.914 -0.064 0.000 2.384 180 V HA 0.439 4.559 4.120 0.000 0.000 0.287 180 V C -0.411 175.673 176.094 -0.016 0.000 1.020 180 V CA -0.531 61.739 62.300 -0.051 0.000 0.850 180 V CB 1.602 33.392 31.823 -0.055 0.000 0.987 180 V HN 0.424 nan 8.190 nan 0.000 0.436 181 V N 4.961 124.873 119.914 -0.003 0.000 2.495 181 V HA 0.490 4.610 4.120 0.000 0.000 0.298 181 V C 0.019 176.135 176.094 0.038 0.000 1.031 181 V CA -0.909 61.406 62.300 0.025 0.000 0.871 181 V CB 1.884 33.728 31.823 0.035 0.000 0.988 181 V HN 0.799 nan 8.190 nan 0.000 0.432 182 K N 6.939 127.370 120.400 0.052 0.000 2.414 182 K HA 0.426 4.746 4.320 0.000 0.000 0.251 182 K C -2.636 174.011 176.600 0.078 0.000 1.037 182 K CA -1.754 54.573 56.287 0.067 0.000 0.980 182 K CB 1.817 34.360 32.500 0.072 0.000 1.280 182 K HN 0.419 nan 8.250 nan 0.000 0.451 183 P HA 0.077 nan 4.420 nan 0.000 0.274 183 P C -0.620 176.732 177.300 0.087 0.000 1.246 183 P CA -0.411 62.736 63.100 0.078 0.000 0.795 183 P CB 0.787 32.534 31.700 0.079 0.000 1.006 184 A N 0.939 123.814 122.820 0.092 0.000 2.498 184 A HA 0.338 4.658 4.320 0.000 0.000 0.239 184 A C 1.753 179.375 177.584 0.064 0.000 1.068 184 A CA 0.544 52.645 52.037 0.108 0.000 0.766 184 A CB -0.832 18.284 19.000 0.193 0.000 1.003 184 A HN 0.646 nan 8.150 nan 0.000 0.497 185 E N 1.401 121.600 120.200 -0.003 0.000 2.110 185 E HA -0.167 4.183 4.350 0.000 0.000 0.193 185 E C 2.068 178.569 176.600 -0.164 0.000 0.988 185 E CA 1.972 58.296 56.400 -0.128 0.000 0.804 185 E CB -0.882 28.535 29.700 -0.471 0.000 0.745 185 E HN 1.432 nan 8.360 nan 0.000 0.458 186 S N -0.214 115.405 115.700 -0.135 0.000 2.522 186 S HA 0.009 4.479 4.470 0.000 0.000 0.227 186 S C 1.303 175.882 174.600 -0.034 0.000 0.986 186 S CA 1.159 59.286 58.200 -0.122 0.000 0.929 186 S CB -0.304 62.772 63.200 -0.206 0.000 0.769 186 S HN 0.761 nan 8.310 nan 0.000 0.529 187 T N -1.565 113.001 114.554 0.021 0.000 3.734 187 T HA 0.443 4.793 4.350 0.000 0.000 0.238 187 T C -2.431 172.288 174.700 0.031 0.000 1.205 187 T CA -0.984 61.154 62.100 0.062 0.000 1.606 187 T CB 1.445 70.400 68.868 0.145 0.000 0.832 187 T HN 0.088 nan 8.240 nan 0.000 0.655 188 P HA 0.210 nan 4.420 nan 0.000 0.245 188 P C 0.984 178.233 177.300 -0.086 0.000 1.203 188 P CA -0.082 62.953 63.100 -0.108 0.000 0.792 188 P CB -0.120 31.471 31.700 -0.182 0.000 0.997 189 F N 0.993 120.979 119.950 0.060 0.000 2.186 189 F HA -0.089 4.438 4.527 0.000 0.000 0.299 189 F C 2.553 178.381 175.800 0.047 0.000 1.090 189 F CA 1.291 59.304 58.000 0.021 0.000 1.307 189 F CB -1.500 37.489 39.000 -0.019 0.000 1.019 189 F HN -0.100 nan 8.300 nan 0.000 0.489 190 S N 0.004 115.848 115.700 0.240 0.000 2.383 190 S HA -0.206 4.264 4.470 0.000 0.000 0.229 190 S C 2.360 177.069 174.600 0.182 0.000 1.030 190 S CA 1.134 59.445 58.200 0.185 0.000 1.002 190 S CB -0.683 62.611 63.200 0.157 0.000 0.829 190 S HN 0.377 nan 8.310 nan 0.000 0.467 191 A N 1.188 124.106 122.820 0.163 0.000 1.897 191 A HA 0.095 4.416 4.320 0.000 0.000 0.215 191 A C 2.100 179.795 177.584 0.185 0.000 1.181 191 A CA 0.933 53.067 52.037 0.163 0.000 0.620 191 A CB -0.624 18.451 19.000 0.125 0.000 0.821 191 A HN 0.439 nan 8.150 nan 0.000 0.443 192 L N -0.698 120.641 121.223 0.193 0.000 2.093 192 L HA -0.165 4.176 4.340 0.000 0.000 0.208 192 L C 3.081 180.125 176.870 0.290 0.000 1.085 192 L CA 0.896 55.895 54.840 0.265 0.000 0.755 192 L CB -0.526 41.688 42.059 0.257 0.000 0.904 192 L HN 0.444 nan 8.230 nan 0.000 0.435 193 A N -0.201 122.755 122.820 0.227 0.000 1.908 193 A HA -0.236 4.084 4.320 0.000 0.000 0.218 193 A C 2.283 180.048 177.584 0.301 0.000 1.181 193 A CA 1.820 53.992 52.037 0.225 0.000 0.627 193 A CB -0.431 18.673 19.000 0.173 0.000 0.818 193 A HN 0.356 nan 8.150 nan 0.000 0.445 194 M N -1.005 118.770 119.600 0.292 0.000 2.419 194 M HA -0.008 4.472 4.480 0.000 0.000 0.264 194 M C 2.407 178.876 176.300 0.281 0.000 1.082 194 M CA 0.845 56.380 55.300 0.391 0.000 1.119 194 M CB -0.240 32.630 32.600 0.449 0.000 1.398 194 M HN 0.514 nan 8.290 nan 0.000 0.453 195 A N 0.270 123.173 122.820 0.139 0.000 1.898 195 A HA -0.194 4.126 4.320 0.000 0.000 0.216 195 A C 1.899 179.392 177.584 -0.152 0.000 1.181 195 A CA 1.283 53.242 52.037 -0.130 0.000 0.620 195 A CB -0.897 17.980 19.000 -0.205 0.000 0.819 195 A HN 0.498 nan 8.150 nan 0.000 0.442 196 F N 0.637 120.598 119.950 0.018 0.000 2.171 196 F HA -0.119 4.408 4.527 0.000 0.000 0.300 196 F C 1.838 177.660 175.800 0.038 0.000 1.090 196 F CA 1.477 59.550 58.000 0.121 0.000 1.293 196 F CB -0.276 38.784 39.000 0.100 0.000 1.013 196 F HN 0.137 nan 8.300 nan 0.000 0.486 197 L N -0.440 120.785 121.223 0.004 0.000 2.056 197 L HA -0.130 4.210 4.340 0.000 0.000 0.207 197 L C 2.780 179.586 176.870 -0.106 0.000 1.078 197 L CA 1.047 55.881 54.840 -0.009 0.000 0.749 197 L CB -1.173 41.059 42.059 0.290 0.000 0.901 197 L HN 0.194 nan 8.230 nan 0.000 0.433 198 A N 0.064 122.640 122.820 -0.407 0.000 1.933 198 A HA -0.269 4.051 4.320 0.000 0.000 0.218 198 A C 2.244 179.584 177.584 -0.406 0.000 1.175 198 A CA 1.890 53.420 52.037 -0.845 0.000 0.628 198 A CB -0.522 17.672 19.000 -1.343 0.000 0.814 198 A HN 0.508 nan 8.150 nan 0.000 0.444 199 E N -0.322 119.695 120.200 -0.305 0.000 2.058 199 E HA -0.255 4.095 4.350 0.000 0.000 0.194 199 E C 2.279 178.797 176.600 -0.136 0.000 0.997 199 E CA 1.413 57.719 56.400 -0.156 0.000 0.801 199 E CB -0.207 29.446 29.700 -0.078 0.000 0.746 199 E HN 0.560 nan 8.360 nan 0.000 0.450 200 R N -0.327 120.040 120.500 -0.222 0.000 2.115 200 R HA -0.042 4.298 4.340 0.000 0.000 0.230 200 R C 2.164 178.420 176.300 -0.073 0.000 1.111 200 R CA 0.954 56.945 56.100 -0.182 0.000 0.976 200 R CB -0.202 29.915 30.300 -0.304 0.000 0.870 200 R HN 0.260 nan 8.270 nan 0.000 0.445 201 A N -0.238 122.556 122.820 -0.044 0.000 2.121 201 A HA 0.045 4.365 4.320 0.000 0.000 0.218 201 A C 1.282 178.892 177.584 0.044 0.000 1.154 201 A CA 1.242 53.304 52.037 0.041 0.000 0.679 201 A CB -0.241 18.836 19.000 0.129 0.000 0.795 201 A HN 0.533 nan 8.150 nan 0.000 0.458 202 G N -1.759 107.044 108.800 0.005 0.000 2.141 202 G HA2 -0.121 3.839 3.960 0.000 0.000 0.195 202 G HA3 -0.121 3.839 3.960 0.000 0.000 0.195 202 G C -0.024 174.906 174.900 0.050 0.000 1.012 202 G CA -0.127 44.994 45.100 0.035 0.000 0.696 202 G HN 0.757 nan 8.290 nan 0.000 0.508 203 V N 1.773 121.669 119.914 -0.029 0.000 2.450 203 V HA 0.254 4.374 4.120 0.000 0.000 0.281 203 V C -0.962 175.077 176.094 -0.091 0.000 1.019 203 V CA -0.756 61.480 62.300 -0.106 0.000 1.062 203 V CB 0.684 32.333 31.823 -0.291 0.000 0.979 203 V HN 0.248 nan 8.190 nan 0.000 0.477 204 P HA 0.166 nan 4.420 nan 0.000 0.265 204 P C 0.098 177.342 177.300 -0.094 0.000 1.187 204 P CA 0.116 63.203 63.100 -0.022 0.000 0.766 204 P CB 0.280 32.016 31.700 0.060 0.000 0.820 205 K N 2.028 122.386 120.400 -0.070 0.000 2.453 205 K HA 0.371 4.692 4.320 0.000 0.000 0.280 205 K C 1.380 177.891 176.600 -0.148 0.000 1.045 205 K CA 0.378 56.588 56.287 -0.128 0.000 1.059 205 K CB -1.210 31.227 32.500 -0.104 0.000 0.901 205 K HN 0.907 nan 8.250 nan 0.000 0.475 206 G N 0.265 108.934 108.800 -0.217 0.000 2.376 206 G HA2 -0.275 3.685 3.960 0.000 0.000 0.208 206 G HA3 -0.275 3.685 3.960 0.000 0.000 0.208 206 G C 1.453 176.225 174.900 -0.213 0.000 1.032 206 G CA 0.445 45.431 45.100 -0.189 0.000 0.641 206 G HN 1.074 nan 8.290 nan 0.000 0.503 207 V N 0.675 120.426 119.914 -0.272 0.000 2.515 207 V HA 0.257 4.377 4.120 0.000 0.000 0.250 207 V C 1.087 176.955 176.094 -0.377 0.000 1.058 207 V CA 2.021 64.067 62.300 -0.424 0.000 1.064 207 V CB -0.078 31.275 31.823 -0.784 0.000 0.675 207 V HN 0.559 nan 8.190 nan 0.000 0.461 208 L N -0.662 120.384 121.223 -0.294 0.000 2.385 208 L HA 0.656 4.997 4.340 0.000 0.000 0.273 208 L C -0.606 176.174 176.870 -0.151 0.000 0.990 208 L CA 0.159 54.875 54.840 -0.207 0.000 0.821 208 L CB 2.112 44.042 42.059 -0.215 0.000 1.279 208 L HN -0.058 nan 8.230 nan 0.000 0.412 209 S N 3.225 118.853 115.700 -0.120 0.000 2.557 209 S HA 0.779 5.249 4.470 0.000 0.000 0.291 209 S C -1.222 173.365 174.600 -0.022 0.000 1.116 209 S CA -0.533 57.596 58.200 -0.118 0.000 0.992 209 S CB 1.999 65.100 63.200 -0.166 0.000 1.028 209 S HN 0.385 nan 8.310 nan 0.000 0.484 210 V N 3.702 123.638 119.914 0.037 0.000 2.378 210 V HA 0.484 4.604 4.120 0.000 0.000 0.288 210 V C -0.591 175.529 176.094 0.043 0.000 1.016 210 V CA -0.615 61.717 62.300 0.053 0.000 0.840 210 V CB 1.512 33.387 31.823 0.088 0.000 0.994 210 V HN 0.670 nan 8.190 nan 0.000 0.431 211 V N 6.769 126.702 119.914 0.032 0.000 2.384 211 V HA 0.533 4.653 4.120 0.000 0.000 0.287 211 V C -0.367 175.757 176.094 0.050 0.000 1.020 211 V CA -0.431 61.884 62.300 0.025 0.000 0.850 211 V CB 1.617 33.444 31.823 0.007 0.000 0.987 211 V HN 0.681 nan 8.190 nan 0.000 0.436 212 I N 4.346 124.943 120.570 0.046 0.000 2.404 212 I HA 0.919 5.089 4.170 0.000 0.000 0.293 212 I C 0.717 176.861 176.117 0.045 0.000 0.992 212 I CA 0.500 61.843 61.300 0.073 0.000 1.149 212 I CB 1.632 39.661 38.000 0.048 0.000 1.315 212 I HN 0.830 nan 8.210 nan 0.000 0.446 213 G N 3.863 112.769 108.800 0.176 0.000 2.441 213 G HA2 0.134 4.094 3.960 0.000 0.000 0.225 213 G HA3 0.134 4.094 3.960 0.000 0.000 0.225 213 G C -1.696 173.395 174.900 0.317 0.000 1.200 213 G CA -0.813 44.390 45.100 0.171 0.000 0.947 213 G HN 0.507 nan 8.290 nan 0.000 0.484 214 D N 0.885 121.409 120.400 0.206 0.000 2.371 214 D HA 0.468 5.108 4.640 0.000 0.000 0.256 214 D C -0.967 175.398 176.300 0.108 0.000 1.193 214 D CA -1.363 52.737 54.000 0.167 0.000 0.881 214 D CB 1.679 42.547 40.800 0.114 0.000 1.143 214 D HN -0.023 nan 8.370 nan 0.000 0.473 215 P HA -0.192 nan 4.420 nan 0.000 0.216 215 P C 1.214 178.541 177.300 0.045 0.000 1.153 215 P CA 2.244 65.385 63.100 0.068 0.000 0.858 215 P CB 0.062 31.796 31.700 0.056 0.000 0.789 216 K N -0.041 120.381 120.400 0.036 0.000 1.984 216 K HA 0.011 4.331 4.320 0.000 0.000 0.209 216 K C 2.315 178.924 176.600 0.016 0.000 1.046 216 K CA 1.795 58.093 56.287 0.019 0.000 0.934 216 K CB -1.763 30.747 32.500 0.017 0.000 0.717 216 K HN 0.139 nan 8.250 nan 0.000 0.438 217 A N 0.851 123.686 122.820 0.025 0.000 1.908 217 A HA -0.023 4.297 4.320 0.000 0.000 0.218 217 A C 2.485 180.078 177.584 0.015 0.000 1.181 217 A CA 1.774 53.822 52.037 0.019 0.000 0.627 217 A CB -0.433 18.581 19.000 0.023 0.000 0.818 217 A HN 0.510 nan 8.150 nan 0.000 0.445 218 I N -0.542 120.044 120.570 0.026 0.000 2.252 218 I HA -0.144 4.026 4.170 0.000 0.000 0.245 218 I C 2.698 178.823 176.117 0.013 0.000 1.102 218 I CA 0.987 62.300 61.300 0.022 0.000 1.385 218 I CB -0.592 37.431 38.000 0.038 0.000 1.064 218 I HN 0.391 nan 8.210 nan 0.000 0.414 219 G N 0.222 109.030 108.800 0.014 0.000 2.418 219 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 219 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 219 G C 1.667 176.555 174.900 -0.019 0.000 1.158 219 G CA 1.406 46.504 45.100 -0.004 0.000 0.771 219 G HN 0.261 nan 8.290 nan 0.000 0.545 220 T N 0.591 115.136 114.554 -0.015 0.000 2.720 220 T HA -0.102 4.248 4.350 0.000 0.000 0.268 220 T C 2.216 176.906 174.700 -0.017 0.000 1.037 220 T CA 1.705 63.794 62.100 -0.019 0.000 1.144 220 T CB -0.132 68.728 68.868 -0.013 0.000 0.864 220 T HN 0.414 nan 8.240 nan 0.000 0.444 221 E N 1.078 121.271 120.200 -0.012 0.000 2.051 221 E HA -0.061 4.289 4.350 0.000 0.000 0.192 221 E C 2.013 178.602 176.600 -0.018 0.000 0.991 221 E CA 1.151 57.544 56.400 -0.013 0.000 0.799 221 E CB -0.580 29.114 29.700 -0.010 0.000 0.748 221 E HN 0.516 nan 8.360 nan 0.000 0.449 222 I N 0.550 121.110 120.570 -0.017 0.000 2.208 222 I HA -0.301 3.869 4.170 0.000 0.000 0.245 222 I C 2.353 178.454 176.117 -0.027 0.000 1.097 222 I CA 1.900 63.187 61.300 -0.021 0.000 1.363 222 I CB -0.501 37.492 38.000 -0.012 0.000 1.051 222 I HN 0.335 nan 8.210 nan 0.000 0.413 223 T N -2.819 111.717 114.554 -0.030 0.000 3.023 223 T HA -0.069 4.281 4.350 0.000 0.000 0.266 223 T C 1.808 176.489 174.700 -0.031 0.000 1.093 223 T CA 1.039 63.118 62.100 -0.036 0.000 1.129 223 T CB -0.317 68.524 68.868 -0.046 0.000 0.899 223 T HN 0.429 nan 8.240 nan 0.000 0.491 224 S N 0.651 116.335 115.700 -0.026 0.000 2.486 224 S HA 0.140 4.610 4.470 0.000 0.000 0.220 224 S C 0.919 175.507 174.600 -0.020 0.000 1.011 224 S CA -0.465 57.722 58.200 -0.022 0.000 0.921 224 S CB -0.603 62.586 63.200 -0.018 0.000 0.785 224 S HN 0.395 nan 8.310 nan 0.000 0.517 225 N N 3.813 122.500 118.700 -0.022 0.000 2.431 225 N HA 0.213 4.953 4.740 0.000 0.000 0.265 225 N C -1.755 173.740 175.510 -0.024 0.000 1.184 225 N CA -1.643 51.394 53.050 -0.021 0.000 0.943 225 N CB 1.457 39.930 38.487 -0.024 0.000 1.080 225 N HN 0.160 nan 8.380 nan 0.000 0.477 226 P HA -0.088 nan 4.420 nan 0.000 0.225 226 P C 1.441 178.729 177.300 -0.020 0.000 1.148 226 P CA 0.863 63.953 63.100 -0.016 0.000 0.779 226 P CB 0.408 32.103 31.700 -0.008 0.000 0.780 227 I N -0.741 119.815 120.570 -0.023 0.000 2.315 227 I HA -0.105 4.065 4.170 0.000 0.000 0.248 227 I C 0.926 177.006 176.117 -0.061 0.000 1.117 227 I CA 0.659 61.941 61.300 -0.030 0.000 1.404 227 I CB -0.456 37.528 38.000 -0.025 0.000 1.071 227 I HN -0.254 nan 8.210 nan 0.000 0.419 228 V N 2.750 122.629 119.914 -0.059 0.000 2.446 228 V HA 0.035 4.155 4.120 0.000 0.000 0.276 228 V C 1.233 177.282 176.094 -0.076 0.000 1.030 228 V CA 0.453 62.708 62.300 -0.074 0.000 1.033 228 V CB 0.714 32.502 31.823 -0.057 0.000 0.993 228 V HN 0.307 nan 8.190 nan 0.000 0.477 229 R N 3.043 123.482 120.500 -0.103 0.000 2.221 229 R HA 0.178 4.518 4.340 0.000 0.000 0.195 229 R C 0.572 176.814 176.300 -0.096 0.000 0.956 229 R CA 0.104 56.147 56.100 -0.094 0.000 1.064 229 R CB 0.526 30.758 30.300 -0.113 0.000 1.049 229 R HN 0.711 nan 8.270 nan 0.000 0.534 230 K N 0.828 121.160 120.400 -0.114 0.000 2.371 230 K HA 0.381 4.701 4.320 0.000 0.000 0.251 230 K C -1.534 175.007 176.600 -0.098 0.000 0.934 230 K CA -0.799 55.412 56.287 -0.127 0.000 0.798 230 K CB 1.941 34.319 32.500 -0.203 0.000 1.204 230 K HN -0.154 nan 8.250 nan 0.000 0.427 231 L N 1.909 123.084 121.223 -0.080 0.000 2.381 231 L HA 0.491 4.831 4.340 0.000 0.000 0.274 231 L C -1.328 175.535 176.870 -0.011 0.000 0.988 231 L CA -0.053 54.768 54.840 -0.031 0.000 0.824 231 L CB 2.116 44.166 42.059 -0.014 0.000 1.263 231 L HN 0.794 nan 8.230 nan 0.000 0.410 232 S N 4.629 120.348 115.700 0.031 0.000 2.433 232 S HA 0.652 5.122 4.470 0.000 0.000 0.310 232 S C -1.179 173.508 174.600 0.145 0.000 1.097 232 S CA -0.370 57.868 58.200 0.063 0.000 1.103 232 S CB 0.214 63.453 63.200 0.065 0.000 0.992 232 S HN 0.459 nan 8.310 nan 0.000 0.469 233 F N 4.036 123.981 119.950 -0.007 0.000 2.493 233 F HA 0.621 5.148 4.527 0.000 0.000 0.329 233 F C -0.415 175.387 175.800 0.003 0.000 1.126 233 F CA -0.290 57.709 58.000 -0.002 0.000 0.937 233 F CB 1.793 40.792 39.000 -0.002 0.000 1.146 233 F HN 0.392 nan 8.300 nan 0.000 0.442 234 T N 4.892 118.985 114.554 -0.769 0.000 2.812 234 T HA 0.811 5.162 4.350 0.000 0.000 0.282 234 T C -0.058 173.904 174.700 -1.229 0.000 0.990 234 T CA -0.216 61.399 62.100 -0.808 0.000 0.960 234 T CB 1.187 69.839 68.868 -0.359 0.000 0.948 234 T HN 1.109 nan 8.240 nan 0.000 0.438 235 G N 1.812 109.964 108.800 -1.080 0.000 2.399 235 G HA2 0.427 4.387 3.960 0.000 0.000 0.256 235 G HA3 0.427 4.387 3.960 0.000 0.000 0.256 235 G C -0.636 174.193 174.900 -0.119 0.000 1.236 235 G CA -0.263 44.493 45.100 -0.573 0.000 0.914 235 G HN 0.938 nan 8.290 nan 0.000 0.482 236 S N -0.350 115.447 115.700 0.161 0.000 2.580 236 S HA 0.455 4.926 4.470 0.000 0.000 0.274 236 S C 1.372 176.146 174.600 0.289 0.000 1.329 236 S CA 1.087 59.394 58.200 0.178 0.000 1.036 236 S CB 1.326 64.617 63.200 0.152 0.000 0.919 236 S HN 0.819 nan 8.310 nan 0.000 0.515 237 T N 3.104 117.786 114.554 0.214 0.000 2.684 237 T HA -0.133 4.217 4.350 0.000 0.000 0.267 237 T C 2.199 177.021 174.700 0.204 0.000 1.036 237 T CA 1.851 64.103 62.100 0.253 0.000 1.148 237 T CB -0.955 68.135 68.868 0.370 0.000 0.863 237 T HN 0.883 nan 8.240 nan 0.000 0.436 238 A N 0.846 123.771 122.820 0.176 0.000 1.892 238 A HA -0.106 4.214 4.320 0.000 0.000 0.218 238 A C 2.579 180.195 177.584 0.053 0.000 1.188 238 A CA 1.728 53.833 52.037 0.112 0.000 0.631 238 A CB -1.048 18.016 19.000 0.107 0.000 0.822 238 A HN 0.384 nan 8.150 nan 0.000 0.447 239 V N -0.168 119.781 119.914 0.058 0.000 2.515 239 V HA -0.125 3.995 4.120 0.000 0.000 0.250 239 V C 2.784 178.680 176.094 -0.329 0.000 1.058 239 V CA 1.611 63.857 62.300 -0.089 0.000 1.064 239 V CB -1.466 30.353 31.823 -0.006 0.000 0.675 239 V HN 0.634 nan 8.190 nan 0.000 0.461 240 G N 0.514 109.214 108.800 -0.166 0.000 2.514 240 G HA2 -0.300 3.660 3.960 0.000 0.000 0.217 240 G HA3 -0.300 3.660 3.960 0.000 0.000 0.217 240 G C 1.689 176.518 174.900 -0.118 0.000 1.198 240 G CA 1.113 46.123 45.100 -0.150 0.000 0.780 240 G HN 0.451 nan 8.290 nan 0.000 0.565 241 R N -0.086 120.394 120.500 -0.032 0.000 2.096 241 R HA -0.022 4.318 4.340 0.000 0.000 0.240 241 R C 2.683 178.945 176.300 -0.063 0.000 1.139 241 R CA 1.375 57.459 56.100 -0.028 0.000 0.952 241 R CB -0.637 29.665 30.300 0.003 0.000 0.854 241 R HN 0.328 nan 8.270 nan 0.000 0.436 242 L N 0.579 121.751 121.223 -0.085 0.000 2.131 242 L HA -0.160 4.180 4.340 0.000 0.000 0.210 242 L C 2.359 179.157 176.870 -0.119 0.000 1.092 242 L CA 1.050 55.837 54.840 -0.088 0.000 0.759 242 L CB -0.362 41.648 42.059 -0.080 0.000 0.903 242 L HN 0.247 nan 8.230 nan 0.000 0.435 243 L N -1.078 120.028 121.223 -0.194 0.000 2.156 243 L HA -0.205 4.135 4.340 0.000 0.000 0.208 243 L C 2.575 179.370 176.870 -0.125 0.000 1.095 243 L CA 0.955 55.675 54.840 -0.201 0.000 0.770 243 L CB -0.260 41.587 42.059 -0.354 0.000 0.914 243 L HN 0.340 nan 8.230 nan 0.000 0.439 244 M N -0.237 119.302 119.600 -0.102 0.000 2.132 244 M HA -0.170 4.310 4.480 0.000 0.000 0.263 244 M C 2.356 178.627 176.300 -0.049 0.000 1.065 244 M CA 1.906 57.170 55.300 -0.060 0.000 1.122 244 M CB -0.062 32.514 32.600 -0.040 0.000 1.365 244 M HN 0.233 nan 8.290 nan 0.000 0.411 245 A N -0.242 122.548 122.820 -0.050 0.000 1.972 245 A HA -0.211 4.109 4.320 0.000 0.000 0.219 245 A C 1.895 179.456 177.584 -0.039 0.000 1.169 245 A CA 1.716 53.730 52.037 -0.039 0.000 0.635 245 A CB -0.652 18.326 19.000 -0.035 0.000 0.810 245 A HN 0.712 nan 8.150 nan 0.000 0.446 246 Q N -0.722 119.048 119.800 -0.050 0.000 2.389 246 Q HA 0.049 4.389 4.340 0.000 0.000 0.204 246 Q C 1.825 177.800 176.000 -0.042 0.000 0.944 246 Q CA 0.990 56.766 55.803 -0.045 0.000 0.908 246 Q CB 0.179 28.885 28.738 -0.054 0.000 1.002 246 Q HN 0.603 nan 8.270 nan 0.000 0.493 247 S N 0.304 115.977 115.700 -0.045 0.000 2.501 247 S HA 0.073 4.543 4.470 0.000 0.000 0.220 247 S C 1.869 176.450 174.600 -0.031 0.000 0.997 247 S CA 0.464 58.641 58.200 -0.040 0.000 0.919 247 S CB 0.190 63.364 63.200 -0.044 0.000 0.778 247 S HN 0.429 nan 8.310 nan 0.000 0.523 248 A N 2.680 125.482 122.820 -0.029 0.000 1.933 248 A HA -0.010 4.311 4.320 0.000 0.000 0.218 248 A C -0.219 177.354 177.584 -0.019 0.000 1.175 248 A CA 1.219 53.242 52.037 -0.023 0.000 0.628 248 A CB -1.771 17.216 19.000 -0.021 0.000 0.814 248 A HN 0.359 nan 8.150 nan 0.000 0.444 249 P HA -0.077 nan 4.420 nan 0.000 0.223 249 P C 0.899 178.190 177.300 -0.014 0.000 1.144 249 P CA 1.835 64.926 63.100 -0.015 0.000 0.783 249 P CB -0.063 31.628 31.700 -0.015 0.000 0.771 250 T N -6.340 108.204 114.554 -0.017 0.000 3.170 250 T HA 0.214 4.564 4.350 0.000 0.000 0.288 250 T C 0.432 175.121 174.700 -0.018 0.000 0.992 250 T CA -0.232 61.858 62.100 -0.016 0.000 0.909 250 T CB -0.675 68.181 68.868 -0.019 0.000 1.133 250 T HN -0.154 nan 8.240 nan 0.000 0.530 251 V N 0.265 120.168 119.914 -0.018 0.000 5.487 251 V HA -0.245 3.875 4.120 0.000 0.000 0.302 251 V C 0.392 176.472 176.094 -0.023 0.000 0.511 251 V CA 0.732 63.021 62.300 -0.017 0.000 0.684 251 V CB -2.595 29.222 31.823 -0.011 0.000 0.458 251 V HN 0.706 nan 8.190 nan 0.000 1.195 252 K N 0.150 120.532 120.400 -0.030 0.000 2.355 252 K HA 0.352 4.672 4.320 0.000 0.000 0.270 252 K C 0.378 176.951 176.600 -0.045 0.000 1.003 252 K CA -0.534 55.729 56.287 -0.041 0.000 0.957 252 K CB 0.632 33.105 32.500 -0.046 0.000 0.939 252 K HN 0.349 nan 8.250 nan 0.000 0.482 253 K N 2.234 122.598 120.400 -0.060 0.000 2.368 253 K HA 0.125 4.445 4.320 0.000 0.000 0.282 253 K C -1.048 175.504 176.600 -0.080 0.000 1.035 253 K CA -0.106 56.138 56.287 -0.071 0.000 0.973 253 K CB 0.316 32.759 32.500 -0.096 0.000 0.957 253 K HN 0.241 nan 8.250 nan 0.000 0.474 254 L N 3.053 124.238 121.223 -0.063 0.000 2.362 254 L HA 0.487 4.827 4.340 0.000 0.000 0.271 254 L C -0.737 176.110 176.870 -0.038 0.000 1.002 254 L CA -0.144 54.670 54.840 -0.043 0.000 0.818 254 L CB 2.340 44.388 42.059 -0.019 0.000 1.298 254 L HN 0.677 nan 8.230 nan 0.000 0.420 255 T N 4.445 118.988 114.554 -0.019 0.000 2.890 255 T HA 0.654 5.004 4.350 0.000 0.000 0.295 255 T C -0.708 174.032 174.700 0.066 0.000 0.993 255 T CA -0.306 61.796 62.100 0.003 0.000 0.979 255 T CB 0.657 69.505 68.868 -0.033 0.000 0.967 255 T HN 0.260 nan 8.240 nan 0.000 0.441 256 L N 3.508 124.778 121.223 0.077 0.000 2.343 256 L HA 0.501 4.841 4.340 0.000 0.000 0.278 256 L C -0.127 176.792 176.870 0.083 0.000 0.996 256 L CA -0.803 54.116 54.840 0.133 0.000 0.831 256 L CB 1.635 43.783 42.059 0.148 0.000 1.232 256 L HN 0.470 nan 8.230 nan 0.000 0.413 257 E N 5.875 126.099 120.200 0.040 0.000 2.121 257 E HA 0.462 4.812 4.350 0.000 0.000 0.255 257 E C -0.462 176.117 176.600 -0.034 0.000 0.906 257 E CA -0.204 56.204 56.400 0.013 0.000 0.745 257 E CB 2.075 31.798 29.700 0.038 0.000 1.155 257 E HN 0.518 nan 8.360 nan 0.000 0.424 258 L N -0.022 121.215 121.223 0.024 0.000 2.755 258 L HA 0.602 4.942 4.340 0.000 0.000 0.243 258 L C 1.140 177.998 176.870 -0.021 0.000 1.579 258 L CA -1.294 53.574 54.840 0.047 0.000 1.669 258 L CB -0.007 42.144 42.059 0.153 0.000 2.294 258 L HN 0.361 nan 8.230 nan 0.000 0.588 259 G N -1.040 107.706 108.800 -0.089 0.000 2.483 259 G HA2 0.467 4.427 3.960 0.000 0.000 0.248 259 G HA3 0.467 4.427 3.960 0.000 0.000 0.248 259 G C -0.254 174.359 174.900 -0.478 0.000 1.248 259 G CA 0.249 45.104 45.100 -0.409 0.000 0.838 259 G HN 0.685 nan 8.290 nan 0.000 0.566 260 G N -0.602 107.943 108.800 -0.426 0.000 2.971 260 G HA2 0.482 4.442 3.960 0.000 0.000 0.235 260 G HA3 0.482 4.442 3.960 0.000 0.000 0.235 260 G C -0.349 174.437 174.900 -0.190 0.000 1.351 260 G CA -0.554 44.429 45.100 -0.196 0.000 1.039 260 G HN 0.744 nan 8.290 nan 0.000 0.563 261 N N -1.146 117.587 118.700 0.055 0.000 2.968 261 N HA 0.230 4.970 4.740 0.000 0.000 0.192 261 N C -0.262 175.328 175.510 0.133 0.000 1.357 261 N CA -0.077 53.031 53.050 0.097 0.000 1.069 261 N CB 0.299 38.944 38.487 0.263 0.000 1.596 261 N HN 0.724 nan 8.380 nan 0.000 0.588 262 A N 2.082 124.935 122.820 0.055 0.000 2.522 262 A HA 0.394 4.714 4.320 0.000 0.000 0.256 262 A C -2.217 175.366 177.584 -0.002 0.000 1.086 262 A CA -0.398 51.661 52.037 0.038 0.000 0.763 262 A CB -0.165 18.899 19.000 0.107 0.000 1.024 262 A HN 0.318 nan 8.150 nan 0.000 0.502 263 P HA 0.360 nan 4.420 nan 0.000 0.296 263 P C -1.062 176.268 177.300 0.050 0.000 1.306 263 P CA -0.155 62.942 63.100 -0.004 0.000 0.818 263 P CB 0.752 32.335 31.700 -0.195 0.000 0.969 264 F N 4.607 124.532 119.950 -0.042 0.000 2.411 264 F HA 0.526 5.053 4.527 0.000 0.000 0.352 264 F C -0.487 175.395 175.800 0.137 0.000 1.123 264 F CA -0.869 57.149 58.000 0.030 0.000 1.044 264 F CB 0.776 39.637 39.000 -0.232 0.000 1.135 264 F HN 0.129 nan 8.300 nan 0.000 0.461 265 I N 7.137 127.707 120.570 0.000 0.000 2.382 265 I HA 0.329 4.499 4.170 0.000 0.000 0.286 265 I C -1.075 175.090 176.117 0.080 0.000 1.002 265 I CA -0.853 60.463 61.300 0.028 0.000 1.135 265 I CB 1.649 39.538 38.000 -0.185 0.000 1.288 265 I HN 0.222 nan 8.210 nan 0.000 0.448 266 V N 6.665 126.664 119.914 0.142 0.000 2.328 266 V HA 0.386 4.506 4.120 0.000 0.000 0.278 266 V C -0.065 176.110 176.094 0.135 0.000 1.021 266 V CA -0.463 61.891 62.300 0.089 0.000 0.838 266 V CB 0.750 32.407 31.823 -0.277 0.000 0.999 266 V HN 0.400 nan 8.190 nan 0.000 0.447 267 F N 1.749 121.830 119.950 0.218 0.000 2.321 267 F HA 0.326 4.853 4.527 0.000 0.000 0.318 267 F C 1.782 177.581 175.800 -0.002 0.000 1.129 267 F CA -0.191 57.927 58.000 0.197 0.000 1.074 267 F CB 0.519 39.617 39.000 0.163 0.000 1.432 267 F HN 0.519 nan 8.300 nan 0.000 0.502 268 D N 0.352 120.843 120.400 0.151 0.000 2.126 268 D HA -0.219 4.421 4.640 0.000 0.000 0.190 268 D C 0.666 176.965 176.300 -0.000 0.000 1.001 268 D CA 2.007 55.908 54.000 -0.166 0.000 0.841 268 D CB -0.258 40.398 40.800 -0.239 0.000 0.949 268 D HN 0.568 nan 8.370 nan 0.000 0.446 269 D N -0.750 119.689 120.400 0.064 0.000 2.755 269 D HA 0.373 5.013 4.640 0.000 0.000 0.257 269 D C -0.239 176.128 176.300 0.112 0.000 1.291 269 D CA -0.476 53.560 54.000 0.061 0.000 0.836 269 D CB 0.014 40.827 40.800 0.023 0.000 1.059 269 D HN 0.142 nan 8.370 nan 0.000 0.486 270 A N 0.329 123.250 122.820 0.167 0.000 2.351 270 A HA 0.298 4.618 4.320 0.000 0.000 0.257 270 A C 0.235 177.928 177.584 0.182 0.000 1.087 270 A CA -0.556 51.614 52.037 0.220 0.000 0.798 270 A CB 0.420 19.585 19.000 0.275 0.000 1.033 270 A HN 0.216 nan 8.150 nan 0.000 0.488 271 D N 2.478 123.007 120.400 0.215 0.000 2.359 271 D HA 0.077 4.718 4.640 0.000 0.000 0.250 271 D C 1.001 177.402 176.300 0.167 0.000 1.264 271 D CA -0.404 53.700 54.000 0.174 0.000 0.911 271 D CB 0.369 41.276 40.800 0.179 0.000 1.056 271 D HN 0.261 nan 8.370 nan 0.000 0.499 272 L N 3.804 125.110 121.223 0.137 0.000 2.043 272 L HA -0.180 4.160 4.340 0.000 0.000 0.212 272 L C 1.816 178.756 176.870 0.117 0.000 1.075 272 L CA 1.488 56.419 54.840 0.152 0.000 0.752 272 L CB -0.870 41.273 42.059 0.140 0.000 0.891 272 L HN 0.513 nan 8.230 nan 0.000 0.432 273 D N -0.285 120.163 120.400 0.080 0.000 2.117 273 D HA -0.141 4.499 4.640 0.000 0.000 0.197 273 D C 2.108 178.443 176.300 0.060 0.000 0.987 273 D CA 1.488 55.517 54.000 0.048 0.000 0.829 273 D CB 0.271 41.097 40.800 0.044 0.000 0.961 273 D HN 0.324 nan 8.370 nan 0.000 0.460 274 A N 1.236 124.121 122.820 0.108 0.000 1.969 274 A HA 0.035 4.355 4.320 0.000 0.000 0.218 274 A C 2.314 179.909 177.584 0.020 0.000 1.169 274 A CA 1.643 53.785 52.037 0.175 0.000 0.635 274 A CB -0.365 18.827 19.000 0.319 0.000 0.810 274 A HN 0.236 nan 8.150 nan 0.000 0.445 275 A N -0.621 122.083 122.820 -0.194 0.000 1.968 275 A HA 0.104 4.425 4.320 0.000 0.000 0.217 275 A C 2.165 179.752 177.584 0.005 0.000 1.169 275 A CA 1.510 53.257 52.037 -0.482 0.000 0.638 275 A CB -0.632 18.293 19.000 -0.125 0.000 0.812 275 A HN 0.311 nan 8.150 nan 0.000 0.446 276 V N 0.062 119.987 119.914 0.019 0.000 2.270 276 V HA -0.184 3.936 4.120 0.000 0.000 0.245 276 V C 3.122 179.180 176.094 -0.060 0.000 1.043 276 V CA 2.547 64.783 62.300 -0.107 0.000 1.014 276 V CB -1.276 30.447 31.823 -0.167 0.000 0.645 276 V HN 0.760 nan 8.190 nan 0.000 0.447 277 E N 0.542 120.745 120.200 0.006 0.000 2.058 277 E HA -0.241 4.110 4.350 0.000 0.000 0.194 277 E C 2.329 178.994 176.600 0.109 0.000 0.997 277 E CA 1.825 58.258 56.400 0.054 0.000 0.801 277 E CB -1.545 28.207 29.700 0.086 0.000 0.746 277 E HN 0.662 nan 8.360 nan 0.000 0.450 278 G N 0.336 109.253 108.800 0.194 0.000 2.422 278 G HA2 0.011 3.971 3.960 0.000 0.000 0.218 278 G HA3 0.011 3.971 3.960 0.000 0.000 0.218 278 G C 2.013 177.046 174.900 0.221 0.000 1.146 278 G CA 2.087 47.412 45.100 0.376 0.000 0.769 278 G HN 0.910 nan 8.290 nan 0.000 0.547 279 A N 1.172 123.951 122.820 -0.068 0.000 1.845 279 A HA 0.024 4.344 4.320 0.000 0.000 0.215 279 A C 2.338 179.918 177.584 -0.007 0.000 1.195 279 A CA 1.485 53.345 52.037 -0.295 0.000 0.616 279 A CB -0.371 18.441 19.000 -0.313 0.000 0.832 279 A HN 0.237 nan 8.150 nan 0.000 0.443 280 I N 0.210 120.809 120.570 0.048 0.000 2.194 280 I HA -0.283 3.887 4.170 0.000 0.000 0.246 280 I C 2.881 179.097 176.117 0.165 0.000 1.093 280 I CA 1.598 63.000 61.300 0.171 0.000 1.355 280 I CB -1.661 36.365 38.000 0.044 0.000 1.046 280 I HN 0.380 nan 8.210 nan 0.000 0.413 281 A N 0.667 123.545 122.820 0.096 0.000 1.897 281 A HA -0.154 4.166 4.320 0.000 0.000 0.215 281 A C 2.512 180.121 177.584 0.042 0.000 1.181 281 A CA 2.032 54.119 52.037 0.084 0.000 0.620 281 A CB -0.802 18.252 19.000 0.091 0.000 0.821 281 A HN 0.539 nan 8.150 nan 0.000 0.443 282 S N -0.481 115.199 115.700 -0.034 0.000 2.406 282 S HA -0.102 4.368 4.470 0.000 0.000 0.228 282 S C 1.805 176.306 174.600 -0.164 0.000 1.020 282 S CA 1.584 59.669 58.200 -0.192 0.000 0.965 282 S CB -0.100 62.758 63.200 -0.568 0.000 0.798 282 S HN 0.457 nan 8.310 nan 0.000 0.488 283 K N 0.257 120.576 120.400 -0.135 0.000 2.168 283 K HA 0.243 4.563 4.320 0.000 0.000 0.201 283 K C 1.044 177.449 176.600 -0.327 0.000 1.049 283 K CA 0.844 56.972 56.287 -0.266 0.000 0.974 283 K CB -0.328 31.997 32.500 -0.291 0.000 0.792 283 K HN 0.467 nan 8.250 nan 0.000 0.463 284 Y N 0.749 121.067 120.300 0.029 0.000 2.444 284 Y HA 0.268 4.818 4.550 0.000 0.000 0.249 284 Y C 0.079 176.004 175.900 0.042 0.000 1.134 284 Y CA -0.488 57.634 58.100 0.038 0.000 1.261 284 Y CB 0.200 38.674 38.460 0.023 0.000 1.143 284 Y HN -0.043 nan 8.280 nan 0.000 0.523 285 R N 0.526 121.117 120.500 0.151 0.000 2.641 285 R HA 0.099 4.440 4.340 0.000 0.000 0.269 285 R C 0.522 176.883 176.300 0.102 0.000 1.074 285 R CA 0.034 56.205 56.100 0.118 0.000 1.133 285 R CB 0.105 30.468 30.300 0.104 0.000 1.029 285 R HN 0.109 nan 8.270 nan 0.000 0.488 286 N N 1.001 119.741 118.700 0.066 0.000 2.693 286 N HA -0.283 4.457 4.740 0.000 0.000 0.249 286 N C -0.817 174.744 175.510 0.084 0.000 1.119 286 N CA 1.362 54.429 53.050 0.030 0.000 0.717 286 N CB -1.154 37.318 38.487 -0.025 0.000 1.071 286 N HN 0.925 nan 8.380 nan 0.000 0.555 287 N N -1.004 117.764 118.700 0.112 0.000 2.708 287 N HA -0.182 4.558 4.740 0.000 0.000 0.249 287 N C 0.709 176.286 175.510 0.112 0.000 1.097 287 N CA 2.406 55.541 53.050 0.141 0.000 0.710 287 N CB -1.539 37.022 38.487 0.123 0.000 1.032 287 N HN 1.152 nan 8.380 nan 0.000 0.551 288 G N -0.855 107.987 108.800 0.070 0.000 2.198 288 G HA2 -0.346 3.614 3.960 0.000 0.000 0.260 288 G HA3 -0.346 3.614 3.960 0.000 0.000 0.260 288 G C 0.378 175.337 174.900 0.099 0.000 1.025 288 G CA 0.649 45.755 45.100 0.009 0.000 0.769 288 G HN 0.622 nan 8.290 nan 0.000 0.507 289 Q N -0.048 119.858 119.800 0.177 0.000 2.204 289 Q HA 0.227 4.567 4.340 0.000 0.000 0.209 289 Q C 1.081 177.225 176.000 0.239 0.000 0.861 289 Q CA 0.648 56.635 55.803 0.306 0.000 0.971 289 Q CB 0.688 29.641 28.738 0.358 0.000 1.095 289 Q HN 0.665 nan 8.270 nan 0.000 0.486 290 T N -3.242 111.443 114.554 0.219 0.000 2.867 290 T HA 0.151 4.501 4.350 0.000 0.000 0.282 290 T C 1.544 176.358 174.700 0.190 0.000 1.000 290 T CA -0.835 61.410 62.100 0.241 0.000 1.042 290 T CB 1.381 70.449 68.868 0.333 0.000 0.973 290 T HN 0.389 nan 8.240 nan 0.000 0.465 291 C N 2.467 121.881 119.300 0.190 0.000 2.403 291 C HA -0.077 4.383 4.460 0.000 0.000 0.279 291 C C 2.521 177.552 174.990 0.070 0.000 1.269 291 C CA 0.661 59.759 59.018 0.133 0.000 1.774 291 C CB -2.232 25.578 27.740 0.116 0.000 1.993 291 C HN 0.896 nan 8.230 nan 0.000 0.496 292 V N -1.478 118.516 119.914 0.133 0.000 3.461 292 V HA 0.199 4.319 4.120 0.000 0.000 0.267 292 V C 1.263 177.475 176.094 0.197 0.000 1.186 292 V CA -0.138 62.255 62.300 0.156 0.000 1.154 292 V CB -2.003 29.958 31.823 0.230 0.000 0.802 292 V HN 0.661 nan 8.190 nan 0.000 0.474 293 C N 2.472 121.827 119.300 0.091 0.000 2.642 293 C HA 0.254 4.714 4.460 0.000 0.000 0.420 293 C C 1.418 176.385 174.990 -0.039 0.000 1.349 293 C CA 0.285 59.309 59.018 0.010 0.000 1.821 293 C CB -0.485 27.231 27.740 -0.041 0.000 2.637 293 C HN 0.637 nan 8.230 nan 0.000 0.605 294 T N 3.979 118.461 114.554 -0.120 0.000 2.866 294 T HA -0.064 4.287 4.350 0.000 0.000 0.293 294 T C 0.997 175.553 174.700 -0.240 0.000 1.005 294 T CA 0.767 62.732 62.100 -0.224 0.000 1.162 294 T CB 0.093 68.604 68.868 -0.595 0.000 0.968 294 T HN 0.844 nan 8.240 nan 0.000 0.530 295 N N 2.474 121.068 118.700 -0.176 0.000 2.407 295 N HA 0.084 4.824 4.740 0.000 0.000 0.182 295 N C -0.066 175.416 175.510 -0.047 0.000 1.079 295 N CA 0.130 53.105 53.050 -0.125 0.000 0.882 295 N CB 0.619 39.039 38.487 -0.111 0.000 1.106 295 N HN 0.450 nan 8.380 nan 0.000 0.461 296 R N -0.142 120.302 120.500 -0.092 0.000 2.532 296 R HA 0.305 4.645 4.340 0.000 0.000 0.297 296 R C -1.495 174.732 176.300 -0.123 0.000 0.984 296 R CA -0.642 55.420 56.100 -0.064 0.000 0.884 296 R CB 1.364 31.468 30.300 -0.326 0.000 1.182 296 R HN -0.033 nan 8.270 nan 0.000 0.442 297 F N 2.486 122.509 119.950 0.123 0.000 2.404 297 F HA 0.404 4.931 4.527 0.000 0.000 0.345 297 F C -0.104 175.714 175.800 0.031 0.000 1.110 297 F CA -0.241 57.857 58.000 0.162 0.000 1.130 297 F CB 0.806 39.900 39.000 0.156 0.000 1.129 297 F HN 0.321 nan 8.300 nan 0.000 0.500 298 F N 2.845 123.016 119.950 0.368 0.000 2.449 298 F HA 0.615 5.142 4.527 0.000 0.000 0.342 298 F C -0.659 175.396 175.800 0.425 0.000 1.127 298 F CA -0.992 57.210 58.000 0.336 0.000 0.975 298 F CB 1.554 40.532 39.000 -0.037 0.000 1.146 298 F HN -0.004 nan 8.300 nan 0.000 0.444 299 V N 2.943 123.209 119.914 0.587 0.000 2.588 299 V HA 0.276 4.396 4.120 0.000 0.000 0.304 299 V C 0.104 176.232 176.094 0.057 0.000 1.042 299 V CA -0.985 61.469 62.300 0.257 0.000 0.877 299 V CB 1.347 33.146 31.823 -0.041 0.000 0.996 299 V HN 0.692 nan 8.190 nan 0.000 0.425 300 H N 2.887 121.686 119.070 -0.451 0.000 2.836 300 H HA 0.093 4.649 4.556 0.000 0.000 0.368 300 H C 1.178 176.340 175.328 -0.276 0.000 1.164 300 H CA 0.805 56.348 56.048 -0.843 0.000 1.425 300 H CB 1.091 30.533 29.762 -0.535 0.000 1.414 300 H HN 0.840 nan 8.280 nan 0.000 0.614 301 E N 2.706 122.573 120.200 -0.555 0.000 2.070 301 E HA -0.225 4.126 4.350 0.000 0.000 0.197 301 E C 2.162 178.822 176.600 0.098 0.000 1.004 301 E CA 1.224 57.521 56.400 -0.171 0.000 0.805 301 E CB 0.084 29.645 29.700 -0.233 0.000 0.744 301 E HN 0.589 nan 8.360 nan 0.000 0.451 302 R N 0.127 120.796 120.500 0.282 0.000 2.153 302 R HA -0.069 4.271 4.340 0.000 0.000 0.218 302 R C 2.286 178.676 176.300 0.149 0.000 1.072 302 R CA 1.213 57.425 56.100 0.186 0.000 0.990 302 R CB 0.128 30.524 30.300 0.159 0.000 0.889 302 R HN 0.166 nan 8.270 nan 0.000 0.452 303 V N -3.504 116.508 119.914 0.164 0.000 3.578 303 V HA 0.042 4.162 4.120 0.000 0.000 0.290 303 V C 1.649 177.848 176.094 0.175 0.000 1.376 303 V CA -0.110 62.274 62.300 0.141 0.000 1.083 303 V CB -0.787 31.103 31.823 0.111 0.000 0.911 303 V HN 0.109 nan 8.190 nan 0.000 0.433 304 Y N 2.391 122.735 120.300 0.072 0.000 2.069 304 Y HA -0.299 4.251 4.550 0.000 0.000 0.278 304 Y C 2.355 178.322 175.900 0.112 0.000 1.175 304 Y CA 2.655 60.804 58.100 0.082 0.000 1.134 304 Y CB -0.118 38.360 38.460 0.030 0.000 0.965 304 Y HN 0.280 nan 8.280 nan 0.000 0.498 305 D N -0.381 120.190 120.400 0.285 0.000 2.123 305 D HA -0.134 4.507 4.640 0.000 0.000 0.200 305 D C 2.265 178.605 176.300 0.067 0.000 0.976 305 D CA 1.287 55.391 54.000 0.174 0.000 0.831 305 D CB -0.457 40.437 40.800 0.158 0.000 0.974 305 D HN 0.492 nan 8.370 nan 0.000 0.469 306 A N 0.761 123.632 122.820 0.085 0.000 1.908 306 A HA -0.195 4.125 4.320 0.000 0.000 0.218 306 A C 2.062 179.671 177.584 0.041 0.000 1.181 306 A CA 1.036 53.107 52.037 0.057 0.000 0.627 306 A CB -0.942 18.104 19.000 0.077 0.000 0.818 306 A HN 0.240 nan 8.150 nan 0.000 0.445 307 F N 0.898 120.793 119.950 -0.091 0.000 2.113 307 F HA -0.015 4.512 4.527 0.000 0.000 0.297 307 F C 2.513 178.188 175.800 -0.209 0.000 1.103 307 F CA 1.228 59.141 58.000 -0.145 0.000 1.248 307 F CB -0.479 38.427 39.000 -0.157 0.000 0.999 307 F HN 0.233 nan 8.300 nan 0.000 0.475 308 A N -0.203 122.485 122.820 -0.219 0.000 1.972 308 A HA -0.172 4.148 4.320 0.000 0.000 0.219 308 A C 2.007 179.438 177.584 -0.255 0.000 1.169 308 A CA 1.940 53.791 52.037 -0.309 0.000 0.635 308 A CB -0.886 17.978 19.000 -0.226 0.000 0.810 308 A HN 0.473 nan 8.150 nan 0.000 0.446 309 D N -0.297 120.001 120.400 -0.170 0.000 2.091 309 D HA -0.082 4.558 4.640 0.000 0.000 0.199 309 D C 1.874 178.071 176.300 -0.173 0.000 0.980 309 D CA 1.194 55.114 54.000 -0.132 0.000 0.831 309 D CB -0.244 40.516 40.800 -0.068 0.000 0.987 309 D HN 0.424 nan 8.370 nan 0.000 0.460 310 K N 0.288 120.569 120.400 -0.198 0.000 2.147 310 K HA -0.111 4.209 4.320 0.000 0.000 0.205 310 K C 2.100 178.521 176.600 -0.299 0.000 1.049 310 K CA 0.321 56.484 56.287 -0.207 0.000 0.936 310 K CB -0.054 32.345 32.500 -0.169 0.000 0.722 310 K HN 0.019 nan 8.250 nan 0.000 0.446 311 L N 0.688 121.628 121.223 -0.471 0.000 2.044 311 L HA -0.041 4.299 4.340 0.000 0.000 0.205 311 L C 2.143 178.800 176.870 -0.355 0.000 1.075 311 L CA 1.617 56.133 54.840 -0.541 0.000 0.747 311 L CB -0.489 41.038 42.059 -0.887 0.000 0.903 311 L HN 0.053 nan 8.230 nan 0.000 0.435 312 A N -0.461 122.183 122.820 -0.294 0.000 2.019 312 A HA -0.040 4.280 4.320 0.000 0.000 0.219 312 A C 2.406 179.886 177.584 -0.174 0.000 1.164 312 A CA 1.477 53.389 52.037 -0.208 0.000 0.644 312 A CB -1.011 17.891 19.000 -0.162 0.000 0.805 312 A HN 0.586 nan 8.150 nan 0.000 0.449 313 A N -0.088 122.630 122.820 -0.170 0.000 1.898 313 A HA 0.185 4.505 4.320 0.000 0.000 0.216 313 A C 2.458 179.959 177.584 -0.139 0.000 1.181 313 A CA 1.918 53.874 52.037 -0.134 0.000 0.620 313 A CB -0.872 18.057 19.000 -0.118 0.000 0.819 313 A HN 0.998 nan 8.150 nan 0.000 0.442 314 A N -0.776 121.943 122.820 -0.169 0.000 1.968 314 A HA 0.128 4.448 4.320 0.000 0.000 0.217 314 A C 2.167 179.633 177.584 -0.198 0.000 1.169 314 A CA 1.397 53.336 52.037 -0.163 0.000 0.638 314 A CB -0.717 18.183 19.000 -0.167 0.000 0.812 314 A HN 0.325 nan 8.150 nan 0.000 0.446 315 V N 1.101 120.866 119.914 -0.248 0.000 2.343 315 V HA -0.251 3.869 4.120 0.000 0.000 0.247 315 V C 2.980 178.942 176.094 -0.221 0.000 1.051 315 V CA 2.409 64.517 62.300 -0.320 0.000 1.036 315 V CB -0.816 30.809 31.823 -0.330 0.000 0.654 315 V HN 0.813 nan 8.190 nan 0.000 0.451 316 S N 0.533 116.139 115.700 -0.158 0.000 2.447 316 S HA -0.138 4.332 4.470 0.000 0.000 0.233 316 S C 2.057 176.599 174.600 -0.097 0.000 1.006 316 S CA 1.368 59.502 58.200 -0.110 0.000 0.957 316 S CB -0.464 62.682 63.200 -0.090 0.000 0.773 316 S HN 0.631 nan 8.310 nan 0.000 0.507 317 K N 1.479 121.815 120.400 -0.107 0.000 2.283 317 K HA 0.346 4.666 4.320 0.000 0.000 0.202 317 K C 0.996 177.547 176.600 -0.082 0.000 1.048 317 K CA 0.932 57.168 56.287 -0.085 0.000 0.948 317 K CB -1.063 31.388 32.500 -0.082 0.000 0.742 317 K HN 0.636 nan 8.250 nan 0.000 0.458 318 L N 0.668 121.825 121.223 -0.109 0.000 2.439 318 L HA 0.248 4.588 4.340 0.000 0.000 0.269 318 L C 0.323 177.152 176.870 -0.068 0.000 1.179 318 L CA -0.344 54.439 54.840 -0.095 0.000 0.828 318 L CB 1.114 43.086 42.059 -0.145 0.000 1.106 318 L HN 0.275 nan 8.230 nan 0.000 0.467 319 K N 1.620 121.991 120.400 -0.049 0.000 2.413 319 K HA 0.465 4.785 4.320 0.000 0.000 0.257 319 K C -1.198 175.370 176.600 -0.053 0.000 0.946 319 K CA -0.597 55.662 56.287 -0.046 0.000 0.823 319 K CB 1.802 34.279 32.500 -0.039 0.000 1.109 319 K HN 0.307 nan 8.250 nan 0.000 0.427 320 V N 3.302 123.157 119.914 -0.099 0.000 2.546 320 V HA 0.730 4.850 4.120 0.000 0.000 0.284 320 V C 0.608 176.535 176.094 -0.279 0.000 1.050 320 V CA 0.358 62.550 62.300 -0.179 0.000 0.981 320 V CB 1.001 32.594 31.823 -0.384 0.000 0.990 320 V HN 1.029 nan 8.190 nan 0.000 0.474 321 G N 2.650 111.333 108.800 -0.194 0.000 2.313 321 G HA2 0.560 4.520 3.960 0.000 0.000 0.296 321 G HA3 0.560 4.520 3.960 0.000 0.000 0.296 321 G C -0.647 174.314 174.900 0.102 0.000 1.356 321 G CA -0.431 44.515 45.100 -0.257 0.000 0.833 321 G HN 0.882 nan 8.290 nan 0.000 0.552 322 R N -0.482 120.088 120.500 0.117 0.000 2.570 322 R HA 0.547 4.887 4.340 0.000 0.000 0.277 322 R C 1.759 178.131 176.300 0.120 0.000 1.039 322 R CA 1.224 57.461 56.100 0.229 0.000 1.065 322 R CB -0.156 30.239 30.300 0.158 0.000 0.964 322 R HN 2.283 nan 8.270 nan 0.000 0.428 323 G N 0.292 109.156 108.800 0.107 0.000 2.450 323 G HA2 -0.288 3.672 3.960 0.000 0.000 0.220 323 G HA3 -0.288 3.672 3.960 0.000 0.000 0.220 323 G C 1.584 176.507 174.900 0.039 0.000 1.130 323 G CA 1.604 46.740 45.100 0.061 0.000 0.760 323 G HN 0.980 nan 8.290 nan 0.000 0.557 324 T N -1.464 113.112 114.554 0.037 0.000 3.113 324 T HA 0.098 4.448 4.350 0.000 0.000 0.263 324 T C 0.814 175.525 174.700 0.019 0.000 1.143 324 T CA 0.621 62.735 62.100 0.023 0.000 1.090 324 T CB 0.077 68.956 68.868 0.018 0.000 0.922 324 T HN 0.486 nan 8.240 nan 0.000 0.521 325 E N 1.460 121.673 120.200 0.022 0.000 2.197 325 E HA 0.362 4.713 4.350 0.000 0.000 0.281 325 E C -0.866 175.738 176.600 0.007 0.000 0.995 325 E CA -0.561 55.846 56.400 0.010 0.000 0.808 325 E CB 1.081 30.784 29.700 0.005 0.000 1.093 325 E HN 0.081 nan 8.360 nan 0.000 0.394 326 S N 2.335 118.036 115.700 0.002 0.000 2.549 326 S HA 0.314 4.784 4.470 0.000 0.000 0.286 326 S C 0.978 175.576 174.600 -0.004 0.000 1.314 326 S CA 0.866 59.066 58.200 0.001 0.000 1.062 326 S CB 0.747 63.947 63.200 -0.001 0.000 0.865 326 S HN 0.886 nan 8.310 nan 0.000 0.498 327 G N 2.174 110.974 108.800 -0.002 0.000 2.268 327 G HA2 -0.225 3.735 3.960 0.000 0.000 0.240 327 G HA3 -0.225 3.735 3.960 0.000 0.000 0.240 327 G C 0.266 175.162 174.900 -0.006 0.000 1.010 327 G CA -0.053 45.043 45.100 -0.006 0.000 0.618 327 G HN 1.298 nan 8.290 nan 0.000 0.516 328 A N 1.095 123.914 122.820 -0.002 0.000 2.515 328 A HA 0.577 4.897 4.320 0.000 0.000 0.263 328 A C 1.470 179.064 177.584 0.017 0.000 1.096 328 A CA 1.776 53.815 52.037 0.003 0.000 0.769 328 A CB 0.048 19.057 19.000 0.014 0.000 1.040 328 A HN 1.485 nan 8.150 nan 0.000 0.505 329 T N 0.478 115.040 114.554 0.014 0.000 3.023 329 T HA 0.395 4.745 4.350 0.000 0.000 0.253 329 T C 0.173 174.901 174.700 0.046 0.000 1.038 329 T CA 0.137 62.251 62.100 0.024 0.000 0.962 329 T CB -0.304 68.569 68.868 0.009 0.000 1.018 329 T HN 0.361 nan 8.240 nan 0.000 0.521 330 L N 1.772 123.028 121.223 0.056 0.000 2.372 330 L HA 0.731 5.071 4.340 0.000 0.000 0.274 330 L C 0.677 177.644 176.870 0.162 0.000 0.988 330 L CA -1.128 53.771 54.840 0.099 0.000 0.833 330 L CB 1.925 44.041 42.059 0.095 0.000 1.236 330 L HN 0.273 nan 8.230 nan 0.000 0.410 331 G N 3.072 111.961 108.800 0.149 0.000 2.531 331 G HA2 0.639 4.599 3.960 0.000 0.000 0.281 331 G HA3 0.639 4.599 3.960 0.000 0.000 0.281 331 G C -2.739 172.152 174.900 -0.013 0.000 1.382 331 G CA -1.056 44.142 45.100 0.163 0.000 1.045 331 G HN 0.310 nan 8.290 nan 0.000 0.533 332 P HA 0.369 nan 4.420 nan 0.000 0.278 332 P C -0.557 176.581 177.300 -0.270 0.000 1.258 332 P CA -0.669 61.991 63.100 -0.734 0.000 0.811 332 P CB 1.205 32.182 31.700 -1.205 0.000 1.063 333 L N 1.276 122.396 121.223 -0.172 0.000 2.476 333 L HA 0.093 4.433 4.340 0.000 0.000 0.255 333 L C 2.247 179.000 176.870 -0.195 0.000 1.218 333 L CA 0.244 55.019 54.840 -0.108 0.000 0.819 333 L CB -0.691 41.329 42.059 -0.064 0.000 1.119 333 L HN 0.322 nan 8.230 nan 0.000 0.485 334 I N 0.695 121.101 120.570 -0.274 0.000 2.142 334 I HA -0.211 3.959 4.170 0.000 0.000 0.240 334 I C 0.668 176.584 176.117 -0.334 0.000 1.078 334 I CA 1.445 62.487 61.300 -0.431 0.000 1.343 334 I CB -0.108 37.289 38.000 -1.005 0.000 1.046 334 I HN 0.992 nan 8.210 nan 0.000 0.405 335 N N -2.601 115.922 118.700 -0.294 0.000 3.204 335 N HA 0.166 4.906 4.740 0.000 0.000 0.285 335 N C 0.330 175.764 175.510 -0.128 0.000 1.536 335 N CA -0.635 52.295 53.050 -0.201 0.000 0.832 335 N CB 0.104 38.456 38.487 -0.225 0.000 1.645 335 N HN -0.145 nan 8.380 nan 0.000 0.586 336 E N -0.479 119.666 120.200 -0.091 0.000 2.208 336 E HA -0.028 4.322 4.350 0.000 0.000 0.193 336 E C 1.509 178.079 176.600 -0.049 0.000 0.988 336 E CA 0.982 57.353 56.400 -0.048 0.000 0.828 336 E CB -0.253 29.425 29.700 -0.036 0.000 0.763 336 E HN 0.650 nan 8.360 nan 0.000 0.478 337 A N 0.890 123.666 122.820 -0.074 0.000 1.972 337 A HA -0.056 4.264 4.320 0.000 0.000 0.219 337 A C 2.286 179.835 177.584 -0.057 0.000 1.169 337 A CA 1.693 53.695 52.037 -0.059 0.000 0.635 337 A CB -0.296 18.661 19.000 -0.072 0.000 0.810 337 A HN 0.269 nan 8.150 nan 0.000 0.446 338 A N -0.852 121.912 122.820 -0.093 0.000 2.021 338 A HA 0.218 4.538 4.320 0.000 0.000 0.216 338 A C 2.083 179.614 177.584 -0.089 0.000 1.163 338 A CA 1.192 53.179 52.037 -0.083 0.000 0.676 338 A CB -0.474 18.452 19.000 -0.123 0.000 0.818 338 A HN 0.297 nan 8.150 nan 0.000 0.453 339 V N 0.443 120.313 119.914 -0.075 0.000 2.358 339 V HA -0.196 3.924 4.120 0.000 0.000 0.246 339 V C 3.169 179.231 176.094 -0.054 0.000 1.047 339 V CA 2.430 64.690 62.300 -0.066 0.000 1.035 339 V CB -1.104 30.746 31.823 0.044 0.000 0.658 339 V HN 0.689 nan 8.190 nan 0.000 0.452 340 K N 0.555 120.948 120.400 -0.011 0.000 2.032 340 K HA -0.277 4.043 4.320 0.000 0.000 0.209 340 K C 2.109 178.721 176.600 0.021 0.000 1.048 340 K CA 2.241 58.539 56.287 0.018 0.000 0.927 340 K CB -0.706 31.807 32.500 0.022 0.000 0.712 340 K HN 0.476 nan 8.250 nan 0.000 0.441 341 K N 0.160 120.562 120.400 0.004 0.000 2.032 341 K HA -0.082 4.238 4.320 0.000 0.000 0.209 341 K C 2.103 178.703 176.600 0.000 0.000 1.048 341 K CA 1.647 57.954 56.287 0.034 0.000 0.927 341 K CB -0.536 31.965 32.500 0.002 0.000 0.712 341 K HN 0.178 nan 8.250 nan 0.000 0.441 342 V N 1.261 121.092 119.914 -0.138 0.000 2.295 342 V HA -0.261 3.859 4.120 0.000 0.000 0.246 342 V C 2.066 178.115 176.094 -0.075 0.000 1.049 342 V CA 2.118 64.289 62.300 -0.216 0.000 1.024 342 V CB -0.481 31.011 31.823 -0.551 0.000 0.648 342 V HN 0.409 nan 8.190 nan 0.000 0.447 343 E N -0.072 120.098 120.200 -0.050 0.000 2.058 343 E HA -0.230 4.120 4.350 0.000 0.000 0.194 343 E C 2.433 179.105 176.600 0.121 0.000 0.997 343 E CA 1.608 58.075 56.400 0.111 0.000 0.801 343 E CB -0.290 29.499 29.700 0.149 0.000 0.746 343 E HN 0.536 nan 8.360 nan 0.000 0.450 344 S N -0.183 115.587 115.700 0.116 0.000 2.382 344 S HA -0.192 4.278 4.470 0.000 0.000 0.228 344 S C 1.870 176.547 174.600 0.129 0.000 1.027 344 S CA 1.033 59.304 58.200 0.118 0.000 0.991 344 S CB -0.235 63.041 63.200 0.127 0.000 0.823 344 S HN 0.368 nan 8.310 nan 0.000 0.469 345 H N 0.165 119.255 119.070 0.032 0.000 2.357 345 H HA -0.001 4.555 4.556 0.000 0.000 0.301 345 H C 2.164 177.518 175.328 0.043 0.000 1.082 345 H CA 1.697 57.767 56.048 0.038 0.000 1.342 345 H CB -0.112 29.668 29.762 0.030 0.000 1.389 345 H HN 0.413 nan 8.280 nan 0.000 0.511 346 I N 0.636 121.307 120.570 0.169 0.000 2.090 346 I HA -0.256 3.914 4.170 0.000 0.000 0.236 346 I C 2.890 179.058 176.117 0.085 0.000 1.064 346 I CA 1.071 62.448 61.300 0.128 0.000 1.324 346 I CB -0.335 37.767 38.000 0.170 0.000 1.044 346 I HN 0.168 nan 8.210 nan 0.000 0.399 347 A N 0.077 122.948 122.820 0.085 0.000 1.978 347 A HA -0.328 3.992 4.320 0.000 0.000 0.220 347 A C 1.931 179.534 177.584 0.032 0.000 1.170 347 A CA 2.493 54.565 52.037 0.057 0.000 0.636 347 A CB -0.847 18.189 19.000 0.060 0.000 0.810 347 A HN 0.570 nan 8.150 nan 0.000 0.448 348 D N -0.726 119.685 120.400 0.019 0.000 2.123 348 D HA 0.068 4.708 4.640 0.000 0.000 0.200 348 D C 2.031 178.324 176.300 -0.013 0.000 0.976 348 D CA 1.353 55.347 54.000 -0.010 0.000 0.831 348 D CB -0.175 40.594 40.800 -0.052 0.000 0.974 348 D HN 0.321 nan 8.370 nan 0.000 0.469 349 A N -0.019 122.797 122.820 -0.007 0.000 1.873 349 A HA -0.075 4.245 4.320 0.000 0.000 0.215 349 A C 2.088 179.666 177.584 -0.010 0.000 1.186 349 A CA 0.960 52.989 52.037 -0.014 0.000 0.616 349 A CB -0.895 18.101 19.000 -0.006 0.000 0.823 349 A HN 0.313 nan 8.150 nan 0.000 0.442 350 L N -0.130 121.098 121.223 0.008 0.000 1.971 350 L HA -0.186 4.154 4.340 0.000 0.000 0.215 350 L C 2.918 179.790 176.870 0.003 0.000 1.072 350 L CA 2.201 57.046 54.840 0.009 0.000 0.758 350 L CB -0.979 41.094 42.059 0.023 0.000 0.889 350 L HN 0.395 nan 8.230 nan 0.000 0.433 351 A N -1.705 121.118 122.820 0.006 0.000 2.245 351 A HA -0.200 4.120 4.320 0.000 0.000 0.217 351 A C 1.961 179.544 177.584 -0.002 0.000 1.171 351 A CA 1.527 53.566 52.037 0.003 0.000 0.688 351 A CB -0.486 18.517 19.000 0.006 0.000 0.781 351 A HN 0.471 nan 8.150 nan 0.000 0.479 352 K N -1.920 118.476 120.400 -0.007 0.000 2.438 352 K HA 0.308 4.629 4.320 0.000 0.000 0.205 352 K C 0.649 177.239 176.600 -0.017 0.000 1.033 352 K CA 0.419 56.700 56.287 -0.010 0.000 1.089 352 K CB 0.493 32.986 32.500 -0.012 0.000 0.857 352 K HN 0.585 nan 8.250 nan 0.000 0.522 353 G N 1.225 110.015 108.800 -0.017 0.000 2.135 353 G HA2 -0.203 3.757 3.960 0.000 0.000 0.183 353 G HA3 -0.203 3.757 3.960 0.000 0.000 0.183 353 G C 0.056 174.937 174.900 -0.030 0.000 1.004 353 G CA -0.026 45.061 45.100 -0.021 0.000 0.677 353 G HN 0.387 nan 8.290 nan 0.000 0.512 354 A N -0.355 122.447 122.820 -0.030 0.000 2.252 354 A HA 0.907 5.227 4.320 0.000 0.000 0.305 354 A C 0.495 178.072 177.584 -0.011 0.000 1.097 354 A CA 0.393 52.410 52.037 -0.033 0.000 0.849 354 A CB 1.104 20.077 19.000 -0.044 0.000 1.142 354 A HN 1.156 nan 8.150 nan 0.000 0.499 355 S N -0.145 115.553 115.700 -0.003 0.000 2.594 355 S HA 0.423 4.893 4.470 0.000 0.000 0.296 355 S C -0.900 173.707 174.600 0.012 0.000 1.124 355 S CA -0.424 57.779 58.200 0.006 0.000 1.011 355 S CB 1.205 64.411 63.200 0.009 0.000 1.016 355 S HN 0.579 nan 8.310 nan 0.000 0.485 356 L N 4.036 125.267 121.223 0.014 0.000 2.515 356 L HA 0.290 4.630 4.340 0.000 0.000 0.281 356 L C 1.156 178.030 176.870 0.005 0.000 1.131 356 L CA 0.337 55.188 54.840 0.018 0.000 0.905 356 L CB 0.106 42.177 42.059 0.020 0.000 1.246 356 L HN 0.855 nan 8.230 nan 0.000 0.463 357 M N 1.799 121.399 119.600 0.001 0.000 2.160 357 M HA 0.004 4.484 4.480 0.000 0.000 0.264 357 M C 0.633 176.918 176.300 -0.024 0.000 1.073 357 M CA 1.219 56.510 55.300 -0.016 0.000 1.142 357 M CB 0.332 32.913 32.600 -0.031 0.000 1.358 357 M HN 0.648 nan 8.290 nan 0.000 0.422 358 T N -1.719 112.825 114.554 -0.016 0.000 2.816 358 T HA 0.562 4.913 4.350 0.000 0.000 0.299 358 T C 0.245 174.948 174.700 0.005 0.000 1.230 358 T CA -0.001 62.087 62.100 -0.020 0.000 1.007 358 T CB 1.138 69.979 68.868 -0.044 0.000 1.289 358 T HN 0.674 nan 8.240 nan 0.000 0.508 359 G N 1.597 110.393 108.800 -0.008 0.000 2.622 359 G HA2 0.142 4.102 3.960 0.000 0.000 0.307 359 G HA3 0.142 4.102 3.960 0.000 0.000 0.307 359 G C 1.229 176.125 174.900 -0.008 0.000 1.226 359 G CA 1.580 46.678 45.100 -0.003 0.000 0.997 359 G HN 2.521 nan 8.290 nan 0.000 0.551 360 G N -3.208 105.618 108.800 0.043 0.000 2.176 360 G HA2 0.460 4.420 3.960 0.000 0.000 0.232 360 G HA3 0.460 4.420 3.960 0.000 0.000 0.232 360 G C 0.579 175.474 174.900 -0.010 0.000 0.986 360 G CA 1.783 46.934 45.100 0.086 0.000 0.643 360 G HN 2.528 nan 8.290 nan 0.000 0.522 361 K N -0.231 119.971 120.400 -0.329 0.000 2.495 361 K HA 0.899 5.220 4.320 0.000 0.000 0.268 361 K C 0.235 176.159 176.600 -1.127 0.000 1.008 361 K CA -0.289 55.708 56.287 -0.483 0.000 0.882 361 K CB 0.725 33.084 32.500 -0.236 0.000 1.443 361 K HN 0.606 nan 8.250 nan 0.000 0.447 362 R N 1.545 121.632 120.500 -0.687 0.000 2.590 362 R HA 0.141 4.481 4.340 0.000 0.000 0.274 362 R C 0.405 176.558 176.300 -0.244 0.000 1.061 362 R CA -0.549 55.287 56.100 -0.439 0.000 1.081 362 R CB 0.261 30.548 30.300 -0.021 0.000 0.984 362 R HN 0.725 nan 8.270 nan 0.000 0.448 363 H N 1.026 120.009 119.070 -0.145 0.000 2.679 363 H HA 0.029 4.585 4.556 0.000 0.000 0.369 363 H C 0.685 175.989 175.328 -0.041 0.000 1.178 363 H CA 0.497 56.505 56.048 -0.066 0.000 1.419 363 H CB 1.301 31.085 29.762 0.037 0.000 1.458 363 H HN 0.752 nan 8.280 nan 0.000 0.605 364 A N 4.259 126.811 122.820 -0.446 0.000 2.066 364 A HA -0.063 4.258 4.320 0.000 0.000 0.218 364 A C 2.756 180.333 177.584 -0.011 0.000 1.157 364 A CA 1.277 53.180 52.037 -0.224 0.000 0.670 364 A CB -0.971 17.840 19.000 -0.314 0.000 0.804 364 A HN 0.639 nan 8.150 nan 0.000 0.453 365 L N -1.648 119.708 121.223 0.221 0.000 2.275 365 L HA 0.384 4.724 4.340 0.000 0.000 0.215 365 L C 1.876 178.876 176.870 0.217 0.000 1.119 365 L CA 1.714 56.633 54.840 0.132 0.000 0.790 365 L CB -2.112 39.828 42.059 -0.198 0.000 0.919 365 L HN 1.668 nan 8.230 nan 0.000 0.443 366 G N -2.746 106.205 108.800 0.251 0.000 2.527 366 G HA2 -0.154 3.806 3.960 0.000 0.000 0.227 366 G HA3 -0.154 3.806 3.960 0.000 0.000 0.227 366 G C 0.319 175.405 174.900 0.310 0.000 1.291 366 G CA 0.569 45.767 45.100 0.163 0.000 0.904 366 G HN 1.629 nan 8.290 nan 0.000 0.577 367 H N -2.001 117.167 119.070 0.164 0.000 1.452 367 H HA -0.297 4.259 4.556 0.000 0.000 0.090 367 H C 2.216 177.570 175.328 0.043 0.000 0.632 367 H CA 3.315 59.417 56.048 0.090 0.000 1.901 367 H CB -1.284 28.532 29.762 0.091 0.000 2.257 367 H HN 1.654 nan 8.280 nan 0.000 0.961 368 G N -0.267 108.592 108.800 0.099 0.000 2.719 368 G HA2 0.182 4.142 3.960 0.000 0.000 0.211 368 G HA3 0.182 4.142 3.960 0.000 0.000 0.211 368 G C -0.189 174.708 174.900 -0.005 0.000 1.140 368 G CA 0.053 45.117 45.100 -0.059 0.000 0.790 368 G HN 0.190 nan 8.290 nan 0.000 0.529 369 F N 0.207 120.254 119.950 0.161 0.000 2.602 369 F HA 0.477 5.004 4.527 0.000 0.000 0.367 369 F C -0.099 175.865 175.800 0.275 0.000 1.126 369 F CA -0.081 58.012 58.000 0.154 0.000 1.321 369 F CB 0.347 39.391 39.000 0.074 0.000 1.094 369 F HN -0.012 nan 8.300 nan 0.000 0.594 370 F N 1.301 121.423 119.950 0.287 0.000 2.635 370 F HA 0.280 4.807 4.527 0.000 0.000 0.314 370 F C -0.637 175.288 175.800 0.208 0.000 1.119 370 F CA -0.950 57.182 58.000 0.220 0.000 1.000 370 F CB 1.243 40.330 39.000 0.144 0.000 1.278 370 F HN 0.438 nan 8.300 nan 0.000 0.446 371 E N 6.539 126.709 120.200 -0.049 0.000 2.366 371 E HA 0.143 4.493 4.350 0.000 0.000 0.266 371 E C -2.257 174.495 176.600 0.253 0.000 1.015 371 E CA -1.600 54.848 56.400 0.079 0.000 0.906 371 E CB 0.398 30.042 29.700 -0.093 0.000 0.979 371 E HN 0.156 nan 8.360 nan 0.000 0.443 372 P HA -0.064 nan 4.420 nan 0.000 0.261 372 P C -0.823 176.597 177.300 0.200 0.000 1.203 372 P CA 0.289 63.529 63.100 0.234 0.000 0.767 372 P CB 0.506 32.198 31.700 -0.014 0.000 0.785 373 T N 2.784 117.519 114.554 0.302 0.000 2.855 373 T HA 0.465 4.815 4.350 0.000 0.000 0.281 373 T C -0.013 174.802 174.700 0.191 0.000 1.007 373 T CA -0.526 61.705 62.100 0.218 0.000 1.009 373 T CB 1.365 70.391 68.868 0.264 0.000 0.983 373 T HN 0.077 nan 8.240 nan 0.000 0.455 374 V N 3.605 123.576 119.914 0.096 0.000 2.656 374 V HA 0.559 4.679 4.120 0.000 0.000 0.307 374 V C -0.556 175.553 176.094 0.025 0.000 1.051 374 V CA -0.862 61.462 62.300 0.040 0.000 0.893 374 V CB 1.785 33.580 31.823 -0.047 0.000 0.999 374 V HN 0.718 nan 8.190 nan 0.000 0.426 375 L N 3.708 124.943 121.223 0.020 0.000 2.362 375 L HA 0.779 5.119 4.340 0.000 0.000 0.271 375 L C 0.186 177.057 176.870 0.002 0.000 1.002 375 L CA -0.343 54.504 54.840 0.012 0.000 0.818 375 L CB 2.685 44.753 42.059 0.014 0.000 1.298 375 L HN 0.838 nan 8.230 nan 0.000 0.420 376 T N -2.312 112.257 114.554 0.025 0.000 2.942 376 T HA 0.574 4.924 4.350 0.000 0.000 0.289 376 T C 0.706 175.445 174.700 0.065 0.000 1.044 376 T CA -0.167 61.997 62.100 0.107 0.000 1.023 376 T CB 1.704 70.675 68.868 0.173 0.000 1.123 376 T HN 0.929 nan 8.240 nan 0.000 0.512 377 G N 0.365 109.230 108.800 0.108 0.000 2.305 377 G HA2 -0.172 3.788 3.960 0.000 0.000 0.287 377 G HA3 -0.172 3.788 3.960 0.000 0.000 0.287 377 G C -0.005 174.823 174.900 -0.120 0.000 1.036 377 G CA 0.050 45.124 45.100 -0.044 0.000 0.887 377 G HN 1.026 nan 8.290 nan 0.000 0.505 378 V N -0.355 119.422 119.914 -0.229 0.000 2.530 378 V HA 0.710 4.831 4.120 0.000 0.000 0.282 378 V C 0.738 176.500 176.094 -0.553 0.000 1.048 378 V CA 0.565 62.572 62.300 -0.490 0.000 0.997 378 V CB 1.022 32.332 31.823 -0.855 0.000 0.987 378 V HN 0.908 nan 8.190 nan 0.000 0.477 379 K N 5.594 125.806 120.400 -0.314 0.000 2.259 379 K HA 0.700 5.020 4.320 0.000 0.000 0.249 379 K C -2.669 174.027 176.600 0.161 0.000 0.942 379 K CA -2.007 54.254 56.287 -0.043 0.000 0.816 379 K CB 1.217 33.713 32.500 -0.008 0.000 1.155 379 K HN 0.562 nan 8.250 nan 0.000 0.428 380 P HA 0.055 nan 4.420 nan 0.000 0.269 380 P C -0.551 176.865 177.300 0.194 0.000 1.601 380 P CA 0.449 63.763 63.100 0.357 0.000 0.831 380 P CB 0.023 31.899 31.700 0.293 0.000 1.688 381 D N -2.803 117.682 120.400 0.141 0.000 2.502 381 D HA 0.066 4.706 4.640 0.000 0.000 0.232 381 D C 0.534 176.872 176.300 0.062 0.000 1.137 381 D CA 0.088 54.138 54.000 0.085 0.000 0.827 381 D CB -0.201 40.632 40.800 0.056 0.000 1.141 381 D HN 0.129 nan 8.370 nan 0.000 0.517 382 M N 1.445 121.084 119.600 0.066 0.000 2.198 382 M HA 0.079 4.559 4.480 0.000 0.000 0.315 382 M C 0.815 177.129 176.300 0.024 0.000 1.134 382 M CA -0.130 55.184 55.300 0.024 0.000 1.171 382 M CB 0.699 33.299 32.600 -0.000 0.000 1.413 382 M HN -0.316 nan 8.290 nan 0.000 0.467 383 D N 0.430 120.786 120.400 -0.074 0.000 2.178 383 D HA -0.127 4.514 4.640 0.000 0.000 0.201 383 D C 1.750 178.003 176.300 -0.078 0.000 0.980 383 D CA 0.982 54.892 54.000 -0.151 0.000 0.842 383 D CB -0.197 40.371 40.800 -0.388 0.000 0.948 383 D HN 0.397 nan 8.370 nan 0.000 0.472 384 V N 0.344 120.260 119.914 0.002 0.000 3.078 384 V HA -0.086 4.034 4.120 0.000 0.000 0.265 384 V C 1.894 178.165 176.094 0.296 0.000 1.122 384 V CA 1.526 63.987 62.300 0.268 0.000 1.141 384 V CB -0.319 31.702 31.823 0.331 0.000 0.735 384 V HN 0.181 nan 8.190 nan 0.000 0.498 385 A N -0.369 122.614 122.820 0.271 0.000 2.021 385 A HA 0.157 4.477 4.320 0.000 0.000 0.216 385 A C 2.102 179.777 177.584 0.152 0.000 1.163 385 A CA 1.400 53.575 52.037 0.231 0.000 0.676 385 A CB -0.268 18.898 19.000 0.276 0.000 0.818 385 A HN 0.606 nan 8.150 nan 0.000 0.453 386 K N -0.195 120.301 120.400 0.160 0.000 2.483 386 K HA 0.444 4.764 4.320 0.000 0.000 0.206 386 K C -0.084 176.657 176.600 0.236 0.000 1.086 386 K CA 0.407 56.789 56.287 0.160 0.000 1.052 386 K CB 0.141 32.703 32.500 0.103 0.000 0.904 386 K HN 0.612 nan 8.250 nan 0.000 0.557 387 E N 0.225 120.574 120.200 0.249 0.000 2.331 387 E HA 0.281 4.632 4.350 0.000 0.000 0.275 387 E C -1.491 175.242 176.600 0.222 0.000 0.895 387 E CA -0.462 56.108 56.400 0.283 0.000 0.753 387 E CB 1.701 31.590 29.700 0.314 0.000 1.216 387 E HN 0.348 nan 8.360 nan 0.000 0.434 388 E N 1.568 121.801 120.200 0.056 0.000 2.259 388 E HA 0.119 4.469 4.350 0.000 0.000 0.281 388 E C 0.245 176.695 176.600 -0.249 0.000 1.037 388 E CA 0.059 56.327 56.400 -0.221 0.000 0.854 388 E CB 1.243 30.578 29.700 -0.608 0.000 1.051 388 E HN 0.530 nan 8.360 nan 0.000 0.409 389 T N 2.907 117.248 114.554 -0.354 0.000 2.812 389 T HA -0.117 4.233 4.350 0.000 0.000 0.264 389 T C 0.335 174.951 174.700 -0.139 0.000 1.042 389 T CA 0.319 62.156 62.100 -0.439 0.000 1.140 389 T CB -0.207 68.478 68.868 -0.304 0.000 0.870 389 T HN 0.592 nan 8.240 nan 0.000 0.445 390 F N 1.189 121.070 119.950 -0.115 0.000 3.027 390 F HA -0.039 4.488 4.527 0.000 0.000 0.276 390 F C 0.861 176.637 175.800 -0.040 0.000 0.967 390 F CA 0.538 58.517 58.000 -0.036 0.000 0.929 390 F CB -1.753 37.272 39.000 0.040 0.000 0.873 390 F HN 0.444 nan 8.300 nan 0.000 0.787 391 G N -1.070 107.742 108.800 0.020 0.000 2.600 391 G HA2 0.643 4.603 3.960 0.000 0.000 0.293 391 G HA3 0.643 4.603 3.960 0.000 0.000 0.293 391 G C -3.174 171.705 174.900 -0.036 0.000 1.408 391 G CA -0.956 44.136 45.100 -0.014 0.000 0.782 391 G HN -0.210 nan 8.290 nan 0.000 0.482 392 P HA 0.301 nan 4.420 nan 0.000 0.220 392 P C -0.743 176.649 177.300 0.153 0.000 1.806 392 P CA -0.163 63.004 63.100 0.111 0.000 0.976 392 P CB 0.206 32.131 31.700 0.375 0.000 1.952 393 L N 0.992 122.220 121.223 0.008 0.000 2.343 393 L HA 0.715 5.055 4.340 0.000 0.000 0.278 393 L C -0.516 176.400 176.870 0.076 0.000 0.996 393 L CA -0.959 53.928 54.840 0.079 0.000 0.831 393 L CB 1.577 43.671 42.059 0.059 0.000 1.232 393 L HN 0.079 nan 8.230 nan 0.000 0.413 394 A N 7.262 130.167 122.820 0.142 0.000 2.736 394 A HA 0.708 5.028 4.320 0.000 0.000 0.335 394 A C -2.554 175.145 177.584 0.190 0.000 1.446 394 A CA -1.276 50.886 52.037 0.208 0.000 1.028 394 A CB -0.572 18.459 19.000 0.053 0.000 1.154 394 A HN 0.532 nan 8.150 nan 0.000 0.507 395 P HA 0.345 nan 4.420 nan 0.000 0.293 395 P C -0.704 176.715 177.300 0.198 0.000 1.313 395 P CA -0.036 63.156 63.100 0.153 0.000 0.787 395 P CB 1.000 32.802 31.700 0.170 0.000 0.910 396 L N 4.892 126.137 121.223 0.037 0.000 2.257 396 L HA 0.437 4.777 4.340 0.000 0.000 0.290 396 L C 0.328 177.233 176.870 0.057 0.000 1.044 396 L CA -0.558 54.352 54.840 0.116 0.000 0.810 396 L CB -0.020 42.028 42.059 -0.018 0.000 1.193 396 L HN 0.249 nan 8.230 nan 0.000 0.425 397 F N 2.261 122.230 119.950 0.031 0.000 2.411 397 F HA 0.617 5.144 4.527 0.000 0.000 0.324 397 F C 0.551 176.516 175.800 0.276 0.000 1.086 397 F CA -0.662 57.326 58.000 -0.019 0.000 1.028 397 F CB 1.308 39.964 39.000 -0.573 0.000 1.284 397 F HN 0.404 nan 8.300 nan 0.000 0.501 398 R N 1.242 122.009 120.500 0.446 0.000 2.807 398 R HA 0.686 5.026 4.340 0.000 0.000 0.276 398 R C -1.788 174.774 176.300 0.437 0.000 0.979 398 R CA -0.647 55.663 56.100 0.349 0.000 0.928 398 R CB 2.085 32.360 30.300 -0.043 0.000 1.191 398 R HN 0.682 nan 8.270 nan 0.000 0.471 399 F N -0.506 119.492 119.950 0.081 0.000 2.713 399 F HA 0.713 5.240 4.527 0.000 0.000 0.311 399 F C -0.822 174.850 175.800 -0.213 0.000 1.141 399 F CA -0.567 57.435 58.000 0.002 0.000 0.939 399 F CB 1.341 40.381 39.000 0.067 0.000 1.325 399 F HN 0.504 nan 8.300 nan 0.000 0.453 400 A N 0.551 123.308 122.820 -0.105 0.000 1.995 400 A HA 0.506 4.826 4.320 0.000 0.000 0.200 400 A C 0.461 178.079 177.584 0.057 0.000 1.566 400 A CA 0.746 52.618 52.037 -0.276 0.000 0.895 400 A CB -0.713 18.230 19.000 -0.095 0.000 1.046 400 A HN 1.075 nan 8.150 nan 0.000 0.523 401 S N -0.624 115.223 115.700 0.246 0.000 2.578 401 S HA 0.452 4.922 4.470 0.000 0.000 0.301 401 S C 0.531 175.384 174.600 0.422 0.000 1.091 401 S CA 0.216 58.605 58.200 0.314 0.000 1.032 401 S CB 1.997 65.310 63.200 0.189 0.000 1.064 401 S HN 0.413 nan 8.310 nan 0.000 0.508 402 E N 1.044 121.499 120.200 0.425 0.000 2.048 402 E HA -0.296 4.054 4.350 0.000 0.000 0.202 402 E C 1.716 178.432 176.600 0.193 0.000 1.021 402 E CA 1.698 58.329 56.400 0.384 0.000 0.825 402 E CB -0.240 29.596 29.700 0.227 0.000 0.756 402 E HN 0.836 nan 8.360 nan 0.000 0.454 403 E N 0.377 120.658 120.200 0.134 0.000 2.219 403 E HA -0.275 4.075 4.350 0.000 0.000 0.198 403 E C 1.850 178.479 176.600 0.048 0.000 0.998 403 E CA 1.330 57.773 56.400 0.072 0.000 0.818 403 E CB -0.056 29.682 29.700 0.063 0.000 0.741 403 E HN 0.416 nan 8.360 nan 0.000 0.477 404 E N -0.085 120.163 120.200 0.081 0.000 2.170 404 E HA -0.110 4.241 4.350 0.000 0.000 0.191 404 E C 2.359 178.931 176.600 -0.046 0.000 0.981 404 E CA 0.231 56.665 56.400 0.056 0.000 0.830 404 E CB 0.044 29.819 29.700 0.125 0.000 0.775 404 E HN 0.218 nan 8.360 nan 0.000 0.470 405 L N 0.481 121.621 121.223 -0.138 0.000 2.005 405 L HA -0.149 4.191 4.340 0.000 0.000 0.207 405 L C 2.276 178.898 176.870 -0.413 0.000 1.072 405 L CA 1.229 55.763 54.840 -0.511 0.000 0.744 405 L CB -0.381 41.182 42.059 -0.825 0.000 0.895 405 L HN -0.052 nan 8.230 nan 0.000 0.433 406 V N 0.187 119.971 119.914 -0.215 0.000 2.324 406 V HA -0.345 3.775 4.120 0.000 0.000 0.250 406 V C 2.798 178.809 176.094 -0.139 0.000 1.060 406 V CA 2.352 64.560 62.300 -0.153 0.000 1.042 406 V CB -0.849 30.938 31.823 -0.060 0.000 0.650 406 V HN 0.514 nan 8.190 nan 0.000 0.450 407 R N -0.859 119.577 120.500 -0.107 0.000 2.092 407 R HA -0.123 4.217 4.340 0.000 0.000 0.231 407 R C 2.177 178.415 176.300 -0.103 0.000 1.119 407 R CA 1.374 57.427 56.100 -0.077 0.000 0.970 407 R CB -0.163 30.115 30.300 -0.036 0.000 0.864 407 R HN 0.355 nan 8.270 nan 0.000 0.440 408 L N 0.013 121.134 121.223 -0.169 0.000 2.109 408 L HA 0.031 4.371 4.340 0.000 0.000 0.207 408 L C 2.323 179.011 176.870 -0.304 0.000 1.086 408 L CA 1.807 56.537 54.840 -0.182 0.000 0.760 408 L CB -0.602 41.356 42.059 -0.168 0.000 0.910 408 L HN 0.194 nan 8.230 nan 0.000 0.437 409 A N -0.680 121.837 122.820 -0.506 0.000 1.929 409 A HA -0.126 4.194 4.320 0.000 0.000 0.216 409 A C 1.887 179.424 177.584 -0.078 0.000 1.176 409 A CA 1.425 53.191 52.037 -0.452 0.000 0.628 409 A CB -0.449 18.215 19.000 -0.561 0.000 0.816 409 A HN 0.467 nan 8.150 nan 0.000 0.444 410 N N 0.335 118.997 118.700 -0.063 0.000 2.461 410 N HA -0.030 4.710 4.740 0.000 0.000 0.188 410 N C -0.017 175.463 175.510 -0.049 0.000 1.134 410 N CA 0.533 53.575 53.050 -0.014 0.000 0.878 410 N CB -0.178 38.288 38.487 -0.035 0.000 0.972 410 N HN 0.424 nan 8.380 nan 0.000 0.456 411 D N 0.704 121.076 120.400 -0.047 0.000 2.941 411 D HA 0.022 4.662 4.640 0.000 0.000 0.236 411 D C -0.644 175.637 176.300 -0.031 0.000 1.147 411 D CA 0.298 54.276 54.000 -0.036 0.000 0.975 411 D CB -0.283 40.507 40.800 -0.017 0.000 1.162 411 D HN -0.081 nan 8.370 nan 0.000 0.444 412 T N -1.668 112.848 114.554 -0.063 0.000 2.889 412 T HA 0.473 4.823 4.350 0.000 0.000 0.315 412 T C 0.990 175.565 174.700 -0.208 0.000 1.291 412 T CA 0.130 62.174 62.100 -0.093 0.000 1.028 412 T CB 1.245 70.120 68.868 0.011 0.000 1.235 412 T HN 0.010 nan 8.240 nan 0.000 0.491 413 E N 2.626 122.602 120.200 -0.372 0.000 2.077 413 E HA 0.130 4.480 4.350 0.000 0.000 0.193 413 E C 0.353 176.659 176.600 -0.491 0.000 0.989 413 E CA 1.336 57.426 56.400 -0.518 0.000 0.800 413 E CB -0.570 28.659 29.700 -0.785 0.000 0.746 413 E HN 0.561 nan 8.360 nan 0.000 0.452 414 F N -1.002 118.882 119.950 -0.110 0.000 2.368 414 F HA 0.575 5.102 4.527 0.000 0.000 0.308 414 F C 1.429 177.019 175.800 -0.350 0.000 1.198 414 F CA -0.191 57.717 58.000 -0.153 0.000 1.130 414 F CB 1.546 40.501 39.000 -0.075 0.000 1.300 414 F HN 0.077 nan 8.300 nan 0.000 0.537 415 G N 0.743 109.426 108.800 -0.196 0.000 4.809 415 G HA2 0.339 4.299 3.960 0.000 0.000 0.225 415 G HA3 0.339 4.299 3.960 0.000 0.000 0.225 415 G C -0.655 174.053 174.900 -0.321 0.000 1.929 415 G CA -0.212 44.459 45.100 -0.715 0.000 0.616 415 G HN 0.519 nan 8.290 nan 0.000 0.286 416 L N 1.240 122.433 121.223 -0.050 0.000 2.415 416 L HA 0.900 5.240 4.340 0.000 0.000 0.194 416 L C 1.442 178.333 176.870 0.035 0.000 1.256 416 L CA 1.037 55.853 54.840 -0.039 0.000 1.974 416 L CB -0.328 41.688 42.059 -0.071 0.000 1.753 416 L HN 0.354 nan 8.230 nan 0.000 0.948 417 A N -0.655 122.145 122.820 -0.033 0.000 2.293 417 A HA 0.771 5.091 4.320 0.000 0.000 0.302 417 A C -0.741 176.619 177.584 -0.374 0.000 1.119 417 A CA 0.137 52.025 52.037 -0.248 0.000 0.823 417 A CB 0.321 19.137 19.000 -0.305 0.000 1.097 417 A HN 0.698 nan 8.150 nan 0.000 0.491 418 A N 0.627 123.025 122.820 -0.702 0.000 2.515 418 A HA 0.753 5.074 4.320 0.000 0.000 0.298 418 A C -1.612 175.473 177.584 -0.832 0.000 1.059 418 A CA -0.426 51.130 52.037 -0.803 0.000 0.698 418 A CB 0.960 19.374 19.000 -0.977 0.000 1.289 418 A HN 0.810 nan 8.150 nan 0.000 0.404 419 Y N 0.239 120.346 120.300 -0.322 0.000 2.425 419 Y HA 0.697 5.247 4.550 0.000 0.000 0.344 419 Y C -0.525 175.103 175.900 -0.454 0.000 0.969 419 Y CA -0.843 57.045 58.100 -0.354 0.000 1.052 419 Y CB 2.368 40.648 38.460 -0.301 0.000 1.215 419 Y HN 0.648 nan 8.280 nan 0.000 0.451 420 L N 3.468 124.523 121.223 -0.280 0.000 2.470 420 L HA 0.572 4.912 4.340 0.000 0.000 0.268 420 L C -2.286 174.449 176.870 -0.226 0.000 0.964 420 L CA -0.918 53.803 54.840 -0.200 0.000 0.839 420 L CB 1.255 43.223 42.059 -0.151 0.000 1.276 420 L HN 0.595 nan 8.230 nan 0.000 0.403 421 Y N 3.681 123.936 120.300 -0.076 0.000 2.363 421 Y HA 0.726 5.276 4.550 0.000 0.000 0.325 421 Y C -0.097 175.892 175.900 0.149 0.000 0.984 421 Y CA -0.149 57.962 58.100 0.018 0.000 1.248 421 Y CB 2.000 40.475 38.460 0.025 0.000 1.116 421 Y HN 0.675 nan 8.280 nan 0.000 0.470 422 S N 2.618 118.421 115.700 0.172 0.000 2.560 422 S HA 0.369 4.839 4.470 0.000 0.000 0.283 422 S C -0.233 174.392 174.600 0.041 0.000 1.141 422 S CA -0.775 57.506 58.200 0.136 0.000 0.902 422 S CB 1.229 64.468 63.200 0.065 0.000 1.104 422 S HN 0.690 nan 8.310 nan 0.000 0.454 423 R N 1.813 122.340 120.500 0.044 0.000 2.276 423 R HA 0.271 4.612 4.340 0.000 0.000 0.196 423 R C -0.147 176.155 176.300 0.003 0.000 0.961 423 R CA 0.438 56.554 56.100 0.027 0.000 1.024 423 R CB -0.061 30.266 30.300 0.045 0.000 0.940 423 R HN 0.700 nan 8.270 nan 0.000 0.480 424 D N 0.097 120.484 120.400 -0.022 0.000 2.338 424 D HA -0.033 4.607 4.640 0.000 0.000 0.255 424 D C 1.429 177.716 176.300 -0.021 0.000 1.237 424 D CA -0.035 53.946 54.000 -0.033 0.000 0.883 424 D CB 0.450 41.207 40.800 -0.071 0.000 1.087 424 D HN -0.065 nan 8.370 nan 0.000 0.485 425 I N 4.204 124.781 120.570 0.013 0.000 2.194 425 I HA -0.203 3.967 4.170 0.000 0.000 0.246 425 I C 1.744 177.918 176.117 0.095 0.000 1.093 425 I CA 1.764 63.103 61.300 0.065 0.000 1.355 425 I CB -0.794 37.247 38.000 0.069 0.000 1.046 425 I HN 0.655 nan 8.210 nan 0.000 0.413 426 G N 0.162 108.984 108.800 0.037 0.000 2.402 426 G HA2 -0.286 3.674 3.960 0.000 0.000 0.216 426 G HA3 -0.286 3.674 3.960 0.000 0.000 0.216 426 G C 1.868 176.778 174.900 0.017 0.000 1.162 426 G CA 0.727 45.846 45.100 0.033 0.000 0.777 426 G HN 0.380 nan 8.290 nan 0.000 0.539 427 R N -0.141 120.321 120.500 -0.063 0.000 2.115 427 R HA 0.005 4.345 4.340 0.000 0.000 0.230 427 R C 2.567 178.791 176.300 -0.127 0.000 1.111 427 R CA 1.078 57.078 56.100 -0.166 0.000 0.976 427 R CB -0.253 29.834 30.300 -0.357 0.000 0.870 427 R HN 0.259 nan 8.270 nan 0.000 0.445 428 V N -0.286 119.587 119.914 -0.068 0.000 2.223 428 V HA -0.270 3.850 4.120 0.000 0.000 0.244 428 V C 1.825 177.882 176.094 -0.062 0.000 1.045 428 V CA 2.058 64.311 62.300 -0.077 0.000 1.000 428 V CB -0.702 31.074 31.823 -0.078 0.000 0.635 428 V HN 0.469 nan 8.190 nan 0.000 0.445 429 W N 0.244 121.498 121.300 -0.076 0.000 2.342 429 W HA -0.138 4.522 4.660 0.000 0.000 0.297 429 W C 2.843 179.327 176.519 -0.059 0.000 1.213 429 W CA 1.799 59.107 57.345 -0.062 0.000 1.251 429 W CB -0.235 29.194 29.460 -0.052 0.000 1.136 429 W HN 0.071 nan 8.180 nan 0.000 0.526 430 R N -0.613 119.984 120.500 0.162 0.000 2.062 430 R HA -0.153 4.187 4.340 0.000 0.000 0.231 430 R C 1.955 178.272 176.300 0.028 0.000 1.136 430 R CA 1.906 58.053 56.100 0.078 0.000 0.948 430 R CB -1.145 29.171 30.300 0.028 0.000 0.845 430 R HN 0.093 nan 8.270 nan 0.000 0.430 431 V N 0.901 120.809 119.914 -0.009 0.000 2.307 431 V HA -0.224 3.896 4.120 0.000 0.000 0.245 431 V C 2.425 178.487 176.094 -0.053 0.000 1.045 431 V CA 1.978 64.270 62.300 -0.013 0.000 1.024 431 V CB -0.678 31.167 31.823 0.037 0.000 0.651 431 V HN 0.432 nan 8.190 nan 0.000 0.449 432 A N -0.755 122.005 122.820 -0.100 0.000 1.972 432 A HA -0.236 4.085 4.320 0.000 0.000 0.219 432 A C 2.174 179.684 177.584 -0.124 0.000 1.169 432 A CA 1.809 53.748 52.037 -0.163 0.000 0.635 432 A CB -0.440 18.392 19.000 -0.281 0.000 0.810 432 A HN 0.628 nan 8.150 nan 0.000 0.446 433 E N -0.430 119.734 120.200 -0.060 0.000 2.106 433 E HA -0.098 4.252 4.350 0.000 0.000 0.192 433 E C 2.306 178.904 176.600 -0.004 0.000 0.984 433 E CA 0.887 57.288 56.400 0.002 0.000 0.806 433 E CB -0.225 29.538 29.700 0.104 0.000 0.750 433 E HN 0.627 nan 8.360 nan 0.000 0.458 434 A N 1.220 124.037 122.820 -0.006 0.000 1.929 434 A HA -0.043 4.277 4.320 0.000 0.000 0.216 434 A C 1.307 178.883 177.584 -0.015 0.000 1.176 434 A CA 0.324 52.355 52.037 -0.010 0.000 0.628 434 A CB -0.410 18.584 19.000 -0.010 0.000 0.816 434 A HN 0.103 nan 8.150 nan 0.000 0.444 435 L N 1.454 122.665 121.223 -0.021 0.000 2.513 435 L HA 0.001 4.341 4.340 0.000 0.000 0.272 435 L C 0.088 177.017 176.870 0.098 0.000 1.187 435 L CA -0.018 54.840 54.840 0.029 0.000 0.895 435 L CB 0.382 42.413 42.059 -0.047 0.000 1.147 435 L HN 0.380 nan 8.230 nan 0.000 0.483 436 E N 4.991 125.276 120.200 0.143 0.000 2.110 436 E HA 0.174 4.524 4.350 0.000 0.000 0.300 436 E C -1.394 175.066 176.600 -0.234 0.000 1.278 436 E CA -0.004 56.369 56.400 -0.044 0.000 1.365 436 E CB 0.097 29.719 29.700 -0.131 0.000 1.283 436 E HN 0.372 nan 8.360 nan 0.000 0.490 437 Y N -1.446 118.776 120.300 -0.130 0.000 2.504 437 Y HA 0.262 4.812 4.550 0.000 0.000 0.344 437 Y C 1.328 177.125 175.900 -0.172 0.000 1.023 437 Y CA -0.984 57.025 58.100 -0.152 0.000 1.020 437 Y CB 1.870 40.219 38.460 -0.185 0.000 1.282 437 Y HN 0.254 nan 8.280 nan 0.000 0.454 438 G N 1.966 110.723 108.800 -0.071 0.000 2.432 438 G HA2 -0.047 3.914 3.960 0.000 0.000 0.219 438 G HA3 -0.047 3.914 3.960 0.000 0.000 0.219 438 G C 0.153 174.955 174.900 -0.163 0.000 1.135 438 G CA 0.713 45.732 45.100 -0.135 0.000 0.767 438 G HN 0.452 nan 8.290 nan 0.000 0.550 439 M N -0.147 119.346 119.600 -0.178 0.000 2.386 439 M HA 0.482 4.963 4.480 0.000 0.000 0.293 439 M C -1.750 174.383 176.300 -0.279 0.000 1.120 439 M CA -0.508 54.651 55.300 -0.235 0.000 0.909 439 M CB 3.587 36.005 32.600 -0.303 0.000 1.661 439 M HN -0.251 nan 8.290 nan 0.000 0.452 440 V N 1.661 121.404 119.914 -0.284 0.000 2.447 440 V HA 0.611 4.731 4.120 0.000 0.000 0.292 440 V C 0.194 176.097 176.094 -0.318 0.000 1.021 440 V CA -0.808 61.289 62.300 -0.339 0.000 0.850 440 V CB 1.720 33.373 31.823 -0.283 0.000 1.005 440 V HN 1.011 nan 8.190 nan 0.000 0.426 441 G N 5.143 113.718 108.800 -0.375 0.000 2.338 441 G HA2 0.623 4.583 3.960 0.000 0.000 0.295 441 G HA3 0.623 4.583 3.960 0.000 0.000 0.295 441 G C -0.517 174.255 174.900 -0.214 0.000 1.132 441 G CA -0.285 44.694 45.100 -0.201 0.000 0.922 441 G HN 0.654 nan 8.290 nan 0.000 0.427 442 I N 2.762 123.194 120.570 -0.230 0.000 2.328 442 I HA 0.158 4.328 4.170 0.000 0.000 0.287 442 I C 0.121 176.017 176.117 -0.369 0.000 1.012 442 I CA -0.708 60.417 61.300 -0.292 0.000 1.195 442 I CB 1.193 39.042 38.000 -0.253 0.000 1.350 442 I HN 0.499 nan 8.210 nan 0.000 0.464 443 N N 2.385 120.672 118.700 -0.689 0.000 2.741 443 N HA -0.177 4.564 4.740 0.000 0.000 0.250 443 N C -0.153 174.946 175.510 -0.685 0.000 1.115 443 N CA 1.312 53.754 53.050 -1.013 0.000 0.724 443 N CB -0.767 37.480 38.487 -0.401 0.000 1.090 443 N HN 0.751 nan 8.380 nan 0.000 0.558 444 T N -2.880 111.401 114.554 -0.457 0.000 2.853 444 T HA 0.613 4.963 4.350 0.000 0.000 0.311 444 T C 0.676 175.552 174.700 0.294 0.000 1.307 444 T CA 0.177 62.311 62.100 0.056 0.000 1.019 444 T CB 1.610 70.504 68.868 0.043 0.000 1.264 444 T HN 0.056 nan 8.240 nan 0.000 0.497 445 G N 1.476 110.483 108.800 0.346 0.000 3.377 445 G HA2 0.449 4.409 3.960 0.000 0.000 0.257 445 G HA3 0.449 4.409 3.960 0.000 0.000 0.257 445 G C -0.294 174.725 174.900 0.198 0.000 1.038 445 G CA -0.119 45.137 45.100 0.259 0.000 0.809 445 G HN 0.572 nan 8.290 nan 0.000 0.526 446 L N 1.371 122.729 121.223 0.225 0.000 2.404 446 L HA 0.488 4.828 4.340 0.000 0.000 0.272 446 L C 0.604 177.563 176.870 0.149 0.000 0.980 446 L CA -0.716 54.229 54.840 0.175 0.000 0.836 446 L CB 1.975 44.095 42.059 0.102 0.000 1.238 446 L HN 0.234 nan 8.230 nan 0.000 0.408 447 I N -2.457 118.206 120.570 0.154 0.000 4.433 447 I HA 0.264 4.434 4.170 0.000 0.000 0.322 447 I C 0.641 176.815 176.117 0.094 0.000 1.284 447 I CA -0.019 61.337 61.300 0.094 0.000 1.269 447 I CB 0.964 38.992 38.000 0.048 0.000 1.219 447 I HN 0.335 nan 8.210 nan 0.000 0.436 448 S N 3.226 119.000 115.700 0.124 0.000 2.533 448 S HA 0.346 4.816 4.470 0.000 0.000 0.282 448 S C -0.349 174.327 174.600 0.127 0.000 1.304 448 S CA -0.033 58.269 58.200 0.170 0.000 1.063 448 S CB -0.079 63.166 63.200 0.075 0.000 0.881 448 S HN 0.809 nan 8.310 nan 0.000 0.493 449 N N -0.043 118.758 118.700 0.169 0.000 3.348 449 N HA 0.136 4.876 4.740 0.000 0.000 0.233 449 N C 0.351 175.678 175.510 -0.304 0.000 1.440 449 N CA -0.847 52.214 53.050 0.018 0.000 0.887 449 N CB 0.436 38.875 38.487 -0.079 0.000 1.410 449 N HN 0.338 nan 8.380 nan 0.000 0.502 450 E N -0.131 119.624 120.200 -0.741 0.000 2.153 450 E HA -0.175 4.175 4.350 0.000 0.000 0.194 450 E C 1.355 177.300 176.600 -1.092 0.000 0.988 450 E CA 2.011 57.726 56.400 -1.142 0.000 0.811 450 E CB -0.321 28.653 29.700 -1.209 0.000 0.746 450 E HN 0.503 nan 8.360 nan 0.000 0.466 451 V N 0.039 119.391 119.914 -0.937 0.000 3.235 451 V HA 0.353 4.473 4.120 0.000 0.000 0.259 451 V C 0.993 176.840 176.094 -0.411 0.000 1.133 451 V CA 0.523 62.228 62.300 -0.991 0.000 1.128 451 V CB -0.275 31.093 31.823 -0.759 0.000 0.757 451 V HN 0.334 nan 8.190 nan 0.000 0.469 452 A N 1.847 124.526 122.820 -0.236 0.000 2.310 452 A HA 0.791 5.111 4.320 0.000 0.000 0.299 452 A C -2.712 174.901 177.584 0.047 0.000 1.147 452 A CA -1.795 50.211 52.037 -0.053 0.000 0.818 452 A CB 0.365 19.358 19.000 -0.012 0.000 1.096 452 A HN 0.414 nan 8.150 nan 0.000 0.495 453 P HA 0.289 nan 4.420 nan 0.000 0.282 453 P C -1.109 176.258 177.300 0.111 0.000 1.274 453 P CA 0.224 63.387 63.100 0.105 0.000 0.770 453 P CB 0.189 31.882 31.700 -0.011 0.000 0.867 454 F N 4.147 124.110 119.950 0.022 0.000 2.375 454 F HA 0.703 5.230 4.527 0.000 0.000 0.361 454 F C 0.303 176.099 175.800 -0.007 0.000 1.117 454 F CA 0.371 58.377 58.000 0.010 0.000 1.037 454 F CB 0.996 40.026 39.000 0.050 0.000 1.192 454 F HN 0.538 nan 8.300 nan 0.000 0.452 455 G N 2.633 111.241 108.800 -0.320 0.000 2.349 455 G HA2 0.479 4.439 3.960 0.000 0.000 0.294 455 G HA3 0.479 4.439 3.960 0.000 0.000 0.294 455 G C -1.511 173.233 174.900 -0.261 0.000 1.380 455 G CA -0.249 44.725 45.100 -0.211 0.000 0.811 455 G HN 0.911 nan 8.290 nan 0.000 0.519 456 G N -1.603 107.099 108.800 -0.163 0.000 2.644 456 G HA2 0.884 4.845 3.960 0.000 0.000 0.307 456 G HA3 0.884 4.845 3.960 0.000 0.000 0.307 456 G C 0.049 174.881 174.900 -0.114 0.000 1.250 456 G CA 0.149 45.161 45.100 -0.146 0.000 0.996 456 G HN 1.727 nan 8.290 nan 0.000 0.489 457 V N -2.115 117.718 119.914 -0.134 0.000 3.406 457 V HA 0.803 4.923 4.120 0.000 0.000 0.305 457 V C 0.920 176.945 176.094 -0.115 0.000 1.136 457 V CA -0.320 61.906 62.300 -0.123 0.000 1.011 457 V CB 0.778 32.515 31.823 -0.143 0.000 1.221 457 V HN 1.060 nan 8.190 nan 0.000 0.454 458 K N -1.273 119.065 120.400 -0.105 0.000 1.791 458 K HA -0.236 4.084 4.320 0.000 0.000 0.140 458 K C 1.146 177.715 176.600 -0.052 0.000 1.312 458 K CA 1.900 58.126 56.287 -0.101 0.000 0.382 458 K CB -1.267 31.137 32.500 -0.160 0.000 0.635 458 K HN 0.808 nan 8.250 nan 0.000 0.838 459 Q N 0.535 120.312 119.800 -0.038 0.000 2.415 459 Q HA 0.133 4.473 4.340 0.000 0.000 0.206 459 Q C 1.235 177.363 176.000 0.215 0.000 0.946 459 Q CA 0.790 56.628 55.803 0.057 0.000 0.951 459 Q CB 0.618 29.322 28.738 -0.057 0.000 1.026 459 Q HN 0.371 nan 8.270 nan 0.000 0.510 460 S N -0.435 115.344 115.700 0.131 0.000 2.496 460 S HA 0.253 4.723 4.470 0.000 0.000 0.224 460 S C 0.956 175.589 174.600 0.056 0.000 0.996 460 S CA 0.580 58.837 58.200 0.094 0.000 0.927 460 S CB 0.372 63.576 63.200 0.006 0.000 0.774 460 S HN 0.631 nan 8.310 nan 0.000 0.524 461 G N 0.405 109.231 108.800 0.043 0.000 2.352 461 G HA2 0.007 3.967 3.960 0.000 0.000 0.324 461 G HA3 0.007 3.967 3.960 0.000 0.000 0.324 461 G C -1.716 173.192 174.900 0.012 0.000 1.249 461 G CA -0.993 44.133 45.100 0.044 0.000 1.053 461 G HN 0.241 nan 8.290 nan 0.000 0.492 462 L N 0.463 121.698 121.223 0.021 0.000 2.388 462 L HA 0.742 5.082 4.340 0.000 0.000 0.264 462 L C 0.869 177.744 176.870 0.008 0.000 0.998 462 L CA -0.013 54.830 54.840 0.005 0.000 0.817 462 L CB 1.785 43.846 42.059 0.004 0.000 1.338 462 L HN 2.592 nan 8.230 nan 0.000 0.414 463 G N 1.726 110.525 108.800 -0.001 0.000 2.796 463 G HA2 -0.093 3.867 3.960 0.000 0.000 0.571 463 G HA3 -0.093 3.867 3.960 0.000 0.000 0.571 463 G C -1.278 173.640 174.900 0.030 0.000 1.370 463 G CA -0.867 44.242 45.100 0.014 0.000 0.856 463 G HN 0.512 nan 8.290 nan 0.000 0.538 464 R N 0.138 120.681 120.500 0.073 0.000 2.771 464 R HA 0.636 4.976 4.340 0.000 0.000 0.274 464 R C -0.421 175.998 176.300 0.199 0.000 0.987 464 R CA -0.725 55.443 56.100 0.114 0.000 0.908 464 R CB 1.876 32.216 30.300 0.067 0.000 1.213 464 R HN 0.765 nan 8.270 nan 0.000 0.468 465 E N -0.232 120.115 120.200 0.246 0.000 2.277 465 E HA 0.602 4.952 4.350 0.000 0.000 0.266 465 E C -0.178 176.633 176.600 0.352 0.000 0.901 465 E CA -0.684 55.880 56.400 0.274 0.000 0.782 465 E CB 2.218 32.002 29.700 0.139 0.000 1.228 465 E HN 0.760 nan 8.360 nan 0.000 0.424 466 G N 1.704 110.817 108.800 0.523 0.000 2.796 466 G HA2 -0.140 3.820 3.960 0.000 0.000 0.226 466 G HA3 -0.140 3.820 3.960 0.000 0.000 0.226 466 G C 0.057 175.104 174.900 0.245 0.000 1.381 466 G CA -0.053 45.287 45.100 0.400 0.000 0.867 466 G HN 1.620 nan 8.290 nan 0.000 0.552 467 S N -2.954 112.695 115.700 -0.085 0.000 3.538 467 S HA -0.218 4.252 4.470 0.000 0.000 0.640 467 S C 1.008 175.857 174.600 0.414 0.000 2.388 467 S CA 2.063 60.295 58.200 0.054 0.000 2.560 467 S CB -1.103 62.148 63.200 0.086 0.000 0.328 467 S HN 2.822 nan 8.310 nan 0.000 1.791 468 H N -0.496 118.776 119.070 0.336 0.000 2.524 468 H HA 0.213 4.769 4.556 0.000 0.000 0.282 468 H C 1.531 176.936 175.328 0.128 0.000 1.016 468 H CA 1.493 57.654 56.048 0.187 0.000 1.270 468 H CB -0.695 29.053 29.762 -0.024 0.000 1.394 468 H HN 0.594 nan 8.280 nan 0.000 0.568 469 Y N 1.240 121.520 120.300 -0.033 0.000 2.352 469 Y HA 0.056 4.606 4.550 0.000 0.000 0.292 469 Y C 2.746 178.773 175.900 0.212 0.000 1.136 469 Y CA 0.991 59.137 58.100 0.077 0.000 1.227 469 Y CB -0.391 38.047 38.460 -0.037 0.000 0.991 469 Y HN 0.491 nan 8.280 nan 0.000 0.545 470 G N -0.586 108.488 108.800 0.458 0.000 2.625 470 G HA2 -0.170 3.790 3.960 0.000 0.000 0.214 470 G HA3 -0.170 3.790 3.960 0.000 0.000 0.214 470 G C 1.488 176.644 174.900 0.427 0.000 1.132 470 G CA 0.644 46.034 45.100 0.484 0.000 0.782 470 G HN 0.517 nan 8.290 nan 0.000 0.538 471 I N -0.885 119.938 120.570 0.423 0.000 3.708 471 I HA 0.125 4.295 4.170 0.000 0.000 0.302 471 I C 1.500 177.811 176.117 0.323 0.000 1.255 471 I CA 0.167 61.661 61.300 0.324 0.000 1.362 471 I CB 0.316 38.489 38.000 0.287 0.000 1.100 471 I HN -0.107 nan 8.210 nan 0.000 0.434 472 D N 1.382 121.953 120.400 0.284 0.000 2.158 472 D HA -0.212 4.428 4.640 0.000 0.000 0.197 472 D C 1.295 177.693 176.300 0.163 0.000 0.995 472 D CA 1.333 55.463 54.000 0.216 0.000 0.846 472 D CB -0.141 40.794 40.800 0.225 0.000 0.941 472 D HN 0.387 nan 8.370 nan 0.000 0.456 473 D N -0.977 119.509 120.400 0.145 0.000 2.363 473 D HA -0.069 4.571 4.640 0.000 0.000 0.220 473 D C 1.183 177.366 176.300 -0.195 0.000 0.994 473 D CA 0.333 54.312 54.000 -0.036 0.000 0.890 473 D CB 0.025 40.761 40.800 -0.107 0.000 0.906 473 D HN 0.394 nan 8.370 nan 0.000 0.530 474 Y N 0.030 120.352 120.300 0.036 0.000 2.458 474 Y HA 0.060 4.610 4.550 0.000 0.000 0.254 474 Y C 1.127 177.054 175.900 0.044 0.000 1.120 474 Y CA -0.286 57.825 58.100 0.018 0.000 1.282 474 Y CB 0.558 39.017 38.460 -0.001 0.000 1.109 474 Y HN -0.220 nan 8.280 nan 0.000 0.526 475 V N -2.164 117.859 119.914 0.182 0.000 3.093 475 V HA 0.717 4.837 4.120 0.000 0.000 0.320 475 V C -0.425 175.733 176.094 0.106 0.000 1.093 475 V CA -1.239 61.151 62.300 0.150 0.000 1.016 475 V CB 1.917 33.828 31.823 0.146 0.000 1.096 475 V HN -0.280 nan 8.190 nan 0.000 0.452 476 V N 1.784 121.764 119.914 0.110 0.000 2.876 476 V HA 0.636 4.756 4.120 0.000 0.000 0.312 476 V C -0.787 175.363 176.094 0.093 0.000 1.085 476 V CA -0.597 61.758 62.300 0.091 0.000 0.945 476 V CB 2.022 33.901 31.823 0.093 0.000 1.017 476 V HN 1.092 nan 8.190 nan 0.000 0.428 477 I N 3.381 124.001 120.570 0.083 0.000 2.331 477 I HA 0.594 4.765 4.170 0.000 0.000 0.292 477 I C -0.486 175.689 176.117 0.096 0.000 0.998 477 I CA 0.123 61.474 61.300 0.085 0.000 1.267 477 I CB 1.081 39.127 38.000 0.075 0.000 1.386 477 I HN 0.627 nan 8.210 nan 0.000 0.476 478 K N 6.141 126.601 120.400 0.100 0.000 2.307 478 K HA 0.303 4.623 4.320 0.000 0.000 0.263 478 K C -1.797 174.896 176.600 0.154 0.000 0.973 478 K CA -0.769 55.581 56.287 0.105 0.000 0.846 478 K CB 0.930 33.472 32.500 0.070 0.000 1.100 478 K HN 0.719 nan 8.250 nan 0.000 0.438 479 Y N 6.077 126.389 120.300 0.022 0.000 2.367 479 Y HA 0.347 4.898 4.550 0.000 0.000 0.342 479 Y C -1.544 174.364 175.900 0.013 0.000 0.979 479 Y CA -1.083 57.027 58.100 0.017 0.000 1.161 479 Y CB 0.541 39.011 38.460 0.017 0.000 1.155 479 Y HN 0.471 nan 8.280 nan 0.000 0.503 480 L N 7.467 128.651 121.223 -0.065 0.000 2.287 480 L HA 0.401 4.741 4.340 0.000 0.000 0.287 480 L C -0.543 176.144 176.870 -0.305 0.000 1.022 480 L CA -0.645 54.058 54.840 -0.227 0.000 0.814 480 L CB 1.262 43.284 42.059 -0.062 0.000 1.217 480 L HN 0.736 nan 8.230 nan 0.000 0.420 481 C N 5.262 124.271 119.300 -0.485 0.000 2.239 481 C HA 0.654 5.114 4.460 0.000 0.000 0.323 481 C C 0.086 175.001 174.990 -0.125 0.000 1.205 481 C CA -0.454 58.403 59.018 -0.268 0.000 1.584 481 C CB 0.084 27.612 27.740 -0.355 0.000 2.201 481 C HN 0.585 nan 8.230 nan 0.000 0.475 482 V N 6.656 126.543 119.914 -0.045 0.000 2.370 482 V HA 0.561 4.681 4.120 0.000 0.000 0.283 482 V C 0.824 176.910 176.094 -0.013 0.000 1.023 482 V CA -0.426 61.855 62.300 -0.031 0.000 0.857 482 V CB 1.114 32.928 31.823 -0.016 0.000 0.985 482 V HN 1.048 nan 8.190 nan 0.000 0.443 483 A N 4.883 127.692 122.820 -0.017 0.000 2.491 483 A HA 0.512 4.833 4.320 0.000 0.000 0.261 483 A C 0.036 177.617 177.584 -0.005 0.000 1.101 483 A CA 0.195 52.227 52.037 -0.008 0.000 0.772 483 A CB 0.536 19.529 19.000 -0.011 0.000 1.043 483 A HN 0.800 nan 8.150 nan 0.000 0.501 484 V N 0.000 119.914 119.914 0.000 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.300 62.300 0.001 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556