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 3ifh_1_R 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 0.000 174.866 174.900 -0.057 0.000 0.946 3 G CA 0.000 45.055 45.100 -0.074 0.000 0.502 4 S N -0.467 115.199 115.700 -0.056 0.000 2.640 4 S HA 0.601 5.071 4.470 0.000 0.000 0.163 4 S C -0.619 173.957 174.600 -0.038 0.000 0.936 4 S CA -0.499 57.676 58.200 -0.041 0.000 1.081 4 S CB -0.556 62.624 63.200 -0.033 0.000 1.720 4 S HN 0.197 nan 8.310 nan 0.000 0.488 5 M N 0.948 120.523 119.600 -0.042 0.000 2.470 5 M HA 0.485 4.965 4.480 0.000 0.000 0.285 5 M C 0.327 176.610 176.300 -0.028 0.000 1.213 5 M CA -0.849 54.430 55.300 -0.036 0.000 0.901 5 M CB 2.064 34.634 32.600 -0.049 0.000 1.718 5 M HN 0.044 nan 8.290 nan 0.000 0.469 6 K N 0.394 120.784 120.400 -0.017 0.000 2.059 6 K HA -0.146 4.174 4.320 0.000 0.000 0.212 6 K C 0.235 176.829 176.600 -0.009 0.000 1.050 6 K CA 1.557 57.839 56.287 -0.009 0.000 0.927 6 K CB -0.009 32.491 32.500 -0.000 0.000 0.714 6 K HN 0.421 nan 8.250 nan 0.000 0.447 7 D N -1.240 119.154 120.400 -0.010 0.000 2.462 7 D HA 0.178 4.818 4.640 0.000 0.000 0.249 7 D C -2.229 174.039 176.300 -0.055 0.000 1.117 7 D CA -2.341 51.653 54.000 -0.010 0.000 0.900 7 D CB 1.243 42.063 40.800 0.034 0.000 1.039 7 D HN -0.160 nan 8.370 nan 0.000 0.516 8 P HA -0.082 nan 4.420 nan 0.000 0.223 8 P C 1.171 178.360 177.300 -0.185 0.000 1.151 8 P CA 0.671 63.701 63.100 -0.117 0.000 0.787 8 P CB 0.225 31.865 31.700 -0.101 0.000 0.788 9 S N -1.193 114.383 115.700 -0.208 0.000 2.555 9 S HA -0.001 4.469 4.470 0.000 0.000 0.230 9 S C 1.744 175.933 174.600 -0.685 0.000 0.978 9 S CA 0.390 58.358 58.200 -0.387 0.000 0.934 9 S CB -1.442 61.567 63.200 -0.318 0.000 0.766 9 S HN 0.093 nan 8.310 nan 0.000 0.533 10 L N 0.023 120.995 121.223 -0.419 0.000 2.131 10 L HA 0.104 4.444 4.340 0.000 0.000 0.210 10 L C 1.053 177.715 176.870 -0.346 0.000 1.092 10 L CA 0.517 55.151 54.840 -0.344 0.000 0.759 10 L CB -0.462 41.551 42.059 -0.077 0.000 0.903 10 L HN 0.354 nan 8.230 nan 0.000 0.435 11 L N 1.709 122.727 121.223 -0.342 0.000 2.342 11 L HA 0.170 4.510 4.340 0.000 0.000 0.285 11 L C 0.141 176.766 176.870 -0.409 0.000 1.095 11 L CA 0.274 54.878 54.840 -0.393 0.000 0.843 11 L CB -0.027 41.776 42.059 -0.426 0.000 1.201 11 L HN 0.016 nan 8.230 nan 0.000 0.445 12 R N 4.149 124.434 120.500 -0.358 0.000 2.598 12 R HA 0.386 4.726 4.340 0.000 0.000 0.279 12 R C -0.110 176.063 176.300 -0.212 0.000 0.984 12 R CA -0.551 55.361 56.100 -0.313 0.000 0.999 12 R CB 0.922 30.988 30.300 -0.389 0.000 1.114 12 R HN 0.645 nan 8.270 nan 0.000 0.493 13 H N 0.228 119.265 119.070 -0.056 0.000 2.662 13 H HA 0.274 4.830 4.556 0.000 0.000 0.268 13 H C -0.247 175.110 175.328 0.048 0.000 1.152 13 H CA -0.030 56.038 56.048 0.033 0.000 1.072 13 H CB 1.569 31.311 29.762 -0.033 0.000 1.660 13 H HN 0.390 nan 8.280 nan 0.000 0.584 14 Q N 0.245 120.167 119.800 0.202 0.000 2.484 14 Q HA 0.666 5.006 4.340 0.000 0.000 0.285 14 Q C -0.705 175.541 176.000 0.410 0.000 1.097 14 Q CA -0.910 55.059 55.803 0.276 0.000 0.802 14 Q CB 3.088 32.027 28.738 0.335 0.000 1.444 14 Q HN 0.266 nan 8.270 nan 0.000 0.429 15 A N 0.595 123.587 122.820 0.286 0.000 2.332 15 A HA 0.308 4.628 4.320 0.000 0.000 0.258 15 A C -1.476 176.209 177.584 0.168 0.000 1.087 15 A CA 0.028 52.198 52.037 0.222 0.000 0.802 15 A CB 0.242 19.304 19.000 0.104 0.000 1.042 15 A HN 0.658 nan 8.150 nan 0.000 0.489 16 Y N 2.414 122.584 120.300 -0.216 0.000 2.491 16 Y HA 0.474 5.024 4.550 0.000 0.000 0.334 16 Y C -0.823 174.871 175.900 -0.344 0.000 0.969 16 Y CA -1.251 56.488 58.100 -0.602 0.000 1.241 16 Y CB 0.564 38.496 38.460 -0.880 0.000 1.105 16 Y HN 0.376 nan 8.280 nan 0.000 0.503 17 I N 5.488 125.742 120.570 -0.526 0.000 2.382 17 I HA 0.304 4.474 4.170 0.000 0.000 0.285 17 I C 0.946 176.787 176.117 -0.461 0.000 1.007 17 I CA -0.732 60.344 61.300 -0.374 0.000 1.142 17 I CB 0.785 38.672 38.000 -0.188 0.000 1.289 17 I HN 0.866 nan 8.210 nan 0.000 0.453 18 G N 4.873 113.407 108.800 -0.444 0.000 2.356 18 G HA2 -0.101 3.859 3.960 0.000 0.000 0.296 18 G HA3 -0.101 3.859 3.960 0.000 0.000 0.296 18 G C 1.046 175.652 174.900 -0.489 0.000 1.022 18 G CA 0.877 45.752 45.100 -0.376 0.000 0.961 18 G HN 1.602 nan 8.290 nan 0.000 0.510 19 G N -1.530 106.718 108.800 -0.920 0.000 2.176 19 G HA2 -0.196 3.764 3.960 0.000 0.000 0.253 19 G HA3 -0.196 3.764 3.960 0.000 0.000 0.253 19 G C 0.052 174.515 174.900 -0.728 0.000 0.979 19 G CA 1.090 45.659 45.100 -0.885 0.000 0.641 19 G HN 1.323 nan 8.290 nan 0.000 0.530 20 E N -0.873 118.876 120.200 -0.751 0.000 2.222 20 E HA 0.524 4.874 4.350 0.000 0.000 0.267 20 E C -0.758 175.647 176.600 -0.326 0.000 0.884 20 E CA -1.305 54.889 56.400 -0.343 0.000 0.764 20 E CB 0.908 30.499 29.700 -0.182 0.000 1.169 20 E HN 0.243 nan 8.360 nan 0.000 0.413 21 W N 3.868 125.218 121.300 0.084 0.000 2.422 21 W HA 0.216 4.876 4.660 0.000 0.000 0.349 21 W C 0.171 176.728 176.519 0.063 0.000 1.062 21 W CA -0.346 57.078 57.345 0.132 0.000 1.497 21 W CB 0.539 30.100 29.460 0.169 0.000 1.407 21 W HN 0.329 nan 8.180 nan 0.000 0.393 22 Q N 1.951 121.873 119.800 0.204 0.000 2.306 22 Q HA 0.836 5.176 4.340 0.000 0.000 0.269 22 Q C -0.190 175.887 176.000 0.128 0.000 1.053 22 Q CA -1.051 54.826 55.803 0.124 0.000 0.879 22 Q CB 2.004 30.766 28.738 0.040 0.000 1.344 22 Q HN 0.476 nan 8.270 nan 0.000 0.464 23 A N 0.404 123.277 122.820 0.087 0.000 2.288 23 A HA 0.822 5.142 4.320 0.000 0.000 0.328 23 A C -0.799 176.815 177.584 0.050 0.000 1.123 23 A CA -0.474 51.605 52.037 0.069 0.000 0.861 23 A CB 0.813 19.847 19.000 0.057 0.000 1.272 23 A HN 0.736 nan 8.150 nan 0.000 0.490 24 A N -0.070 122.778 122.820 0.047 0.000 2.462 24 A HA 0.367 4.687 4.320 0.000 0.000 0.243 24 A C 0.411 178.015 177.584 0.034 0.000 1.076 24 A CA -0.005 52.057 52.037 0.043 0.000 0.773 24 A CB -0.160 18.872 19.000 0.053 0.000 1.010 24 A HN 0.736 nan 8.150 nan 0.000 0.493 25 D N 0.969 121.385 120.400 0.027 0.000 2.315 25 D HA -0.123 4.517 4.640 0.000 0.000 0.211 25 D C 1.808 178.122 176.300 0.022 0.000 0.977 25 D CA 2.059 56.072 54.000 0.021 0.000 0.894 25 D CB 0.033 40.842 40.800 0.016 0.000 0.910 25 D HN 0.613 nan 8.370 nan 0.000 0.490 26 S N -1.181 114.536 115.700 0.027 0.000 2.540 26 S HA 0.067 4.537 4.470 0.000 0.000 0.222 26 S C 0.607 175.225 174.600 0.029 0.000 1.008 26 S CA 0.126 58.342 58.200 0.027 0.000 0.939 26 S CB 0.715 63.933 63.200 0.029 0.000 0.865 26 S HN -0.012 nan 8.310 nan 0.000 0.499 27 D N 1.368 121.787 120.400 0.031 0.000 2.811 27 D HA -0.175 4.465 4.640 0.000 0.000 0.231 27 D C 0.232 176.554 176.300 0.036 0.000 1.157 27 D CA 0.815 54.834 54.000 0.031 0.000 0.716 27 D CB -1.383 39.432 40.800 0.024 0.000 1.077 27 D HN 0.818 nan 8.370 nan 0.000 0.428 28 A N -0.079 122.769 122.820 0.048 0.000 2.407 28 A HA 0.595 4.915 4.320 0.000 0.000 0.248 28 A C 0.917 178.546 177.584 0.075 0.000 1.082 28 A CA 0.771 52.847 52.037 0.065 0.000 0.785 28 A CB 0.623 19.669 19.000 0.076 0.000 1.020 28 A HN 0.553 nan 8.150 nan 0.000 0.489 29 T N -1.333 113.273 114.554 0.086 0.000 2.812 29 T HA 0.785 5.135 4.350 0.000 0.000 0.294 29 T C -0.613 174.184 174.700 0.161 0.000 1.159 29 T CA -0.443 61.687 62.100 0.050 0.000 1.008 29 T CB 1.275 70.130 68.868 -0.022 0.000 1.289 29 T HN 1.414 nan 8.240 nan 0.000 0.514 30 F N -1.688 118.267 119.950 0.008 0.000 2.626 30 F HA 0.822 5.349 4.527 0.000 0.000 0.311 30 F C -0.662 175.114 175.800 -0.041 0.000 1.088 30 F CA -1.230 56.770 58.000 -0.001 0.000 0.949 30 F CB 1.263 40.265 39.000 0.003 0.000 1.322 30 F HN 0.646 nan 8.300 nan 0.000 0.461 31 E N 1.149 121.406 120.200 0.096 0.000 2.319 31 E HA 0.596 4.946 4.350 0.000 0.000 0.268 31 E C -1.261 175.202 176.600 -0.229 0.000 1.050 31 E CA -0.969 55.311 56.400 -0.201 0.000 0.878 31 E CB 2.259 31.715 29.700 -0.407 0.000 1.066 31 E HN 0.517 nan 8.360 nan 0.000 0.406 32 V N 3.404 123.080 119.914 -0.396 0.000 2.540 32 V HA 0.408 4.528 4.120 0.000 0.000 0.302 32 V C -0.820 175.053 176.094 -0.368 0.000 1.035 32 V CA -0.667 61.488 62.300 -0.242 0.000 0.873 32 V CB 0.845 32.546 31.823 -0.202 0.000 0.992 32 V HN 0.490 nan 8.190 nan 0.000 0.428 33 F N 1.106 121.092 119.950 0.061 0.000 2.556 33 F HA 0.461 4.988 4.527 0.000 0.000 0.327 33 F C 0.414 176.221 175.800 0.011 0.000 1.059 33 F CA -0.850 57.172 58.000 0.036 0.000 0.953 33 F CB 1.237 40.243 39.000 0.010 0.000 1.227 33 F HN 0.401 nan 8.300 nan 0.000 0.478 34 D N 3.627 124.143 120.400 0.194 0.000 2.325 34 D HA 0.142 4.782 4.640 0.000 0.000 0.251 34 D C -1.626 174.668 176.300 -0.010 0.000 1.196 34 D CA -1.828 52.213 54.000 0.068 0.000 0.866 34 D CB 1.507 42.328 40.800 0.035 0.000 1.101 34 D HN 0.159 nan 8.370 nan 0.000 0.476 35 P HA -0.062 nan 4.420 nan 0.000 0.226 35 P C 0.676 177.855 177.300 -0.202 0.000 1.153 35 P CA 0.497 63.526 63.100 -0.119 0.000 0.777 35 P CB 0.421 32.039 31.700 -0.136 0.000 0.794 36 A N 0.059 122.776 122.820 -0.172 0.000 1.997 36 A HA 0.039 4.359 4.320 0.000 0.000 0.212 36 A C 2.026 179.551 177.584 -0.098 0.000 1.178 36 A CA 1.744 53.732 52.037 -0.081 0.000 0.698 36 A CB -0.975 18.068 19.000 0.073 0.000 0.842 36 A HN 0.336 nan 8.150 nan 0.000 0.458 37 T N -6.209 108.182 114.554 -0.272 0.000 2.975 37 T HA 0.428 4.778 4.350 0.000 0.000 0.257 37 T C 1.432 175.814 174.700 -0.529 0.000 1.003 37 T CA 1.119 63.022 62.100 -0.328 0.000 0.932 37 T CB 0.481 69.321 68.868 -0.048 0.000 1.087 37 T HN 1.645 nan 8.240 nan 0.000 0.512 38 G N 2.405 110.915 108.800 -0.483 0.000 2.205 38 G HA2 -0.295 3.665 3.960 0.000 0.000 0.261 38 G HA3 -0.295 3.665 3.960 0.000 0.000 0.261 38 G C -0.068 174.891 174.900 0.099 0.000 0.980 38 G CA 0.387 45.383 45.100 -0.173 0.000 0.632 38 G HN 1.074 nan 8.290 nan 0.000 0.533 39 E N 0.743 121.002 120.200 0.099 0.000 2.354 39 E HA 0.543 4.893 4.350 0.000 0.000 0.269 39 E C 0.208 176.947 176.600 0.231 0.000 1.036 39 E CA 0.043 56.545 56.400 0.169 0.000 0.876 39 E CB 1.183 30.936 29.700 0.088 0.000 1.009 39 E HN 0.157 nan 8.360 nan 0.000 0.416 40 S N 1.301 117.127 115.700 0.210 0.000 2.537 40 S HA 0.109 4.579 4.470 0.000 0.000 0.286 40 S C 0.817 175.406 174.600 -0.019 0.000 1.299 40 S CA 0.164 58.367 58.200 0.005 0.000 1.067 40 S CB 0.235 63.422 63.200 -0.022 0.000 0.864 40 S HN 0.591 nan 8.310 nan 0.000 0.494 41 L N 3.608 124.803 121.223 -0.047 0.000 2.607 41 L HA 0.625 4.965 4.340 0.000 0.000 0.228 41 L C 1.340 178.243 176.870 0.056 0.000 1.123 41 L CA 0.866 55.717 54.840 0.018 0.000 0.890 41 L CB -1.811 40.334 42.059 0.144 0.000 1.103 41 L HN 1.263 nan 8.230 nan 0.000 0.468 42 G N -1.252 107.576 108.800 0.047 0.000 2.409 42 G HA2 0.369 4.329 3.960 0.000 0.000 0.421 42 G HA3 0.369 4.329 3.960 0.000 0.000 0.421 42 G C -0.080 174.900 174.900 0.134 0.000 1.259 42 G CA 0.331 45.526 45.100 0.159 0.000 1.011 42 G HN 1.758 nan 8.290 nan 0.000 0.497 43 T N -2.629 112.066 114.554 0.236 0.000 2.930 43 T HA 0.962 5.312 4.350 0.000 0.000 0.290 43 T C 0.090 174.805 174.700 0.025 0.000 1.052 43 T CA 0.216 62.330 62.100 0.024 0.000 1.017 43 T CB 1.681 70.521 68.868 -0.047 0.000 1.137 43 T HN 2.284 nan 8.240 nan 0.000 0.511 44 V N -2.668 117.047 119.914 -0.333 0.000 3.130 44 V HA 0.838 4.958 4.120 0.000 0.000 0.310 44 V C -3.201 172.654 176.094 -0.398 0.000 1.158 44 V CA -3.168 58.922 62.300 -0.351 0.000 1.029 44 V CB 1.292 32.807 31.823 -0.513 0.000 1.057 44 V HN 0.777 nan 8.190 nan 0.000 0.436 45 P HA 0.284 nan 4.420 nan 0.000 0.271 45 P C -1.028 176.304 177.300 0.053 0.000 1.218 45 P CA -0.176 62.897 63.100 -0.044 0.000 0.780 45 P CB 0.445 32.165 31.700 0.033 0.000 0.901 46 K N 3.421 123.913 120.400 0.153 0.000 2.385 46 K HA 0.303 4.623 4.320 0.000 0.000 0.229 46 K C -0.291 176.397 176.600 0.147 0.000 1.089 46 K CA -0.200 56.251 56.287 0.273 0.000 1.060 46 K CB -0.314 32.365 32.500 0.298 0.000 1.698 46 K HN 0.460 nan 8.250 nan 0.000 0.469 47 M N 0.338 120.015 119.600 0.127 0.000 2.227 47 M HA 0.341 4.821 4.480 0.000 0.000 0.316 47 M C 0.876 177.211 176.300 0.059 0.000 1.144 47 M CA -0.199 55.146 55.300 0.076 0.000 1.121 47 M CB 1.459 34.096 32.600 0.062 0.000 1.440 47 M HN 0.561 nan 8.290 nan 0.000 0.473 48 G N -0.636 108.186 108.800 0.036 0.000 3.187 48 G HA2 0.591 4.551 3.960 0.000 0.000 0.175 48 G HA3 0.591 4.551 3.960 0.000 0.000 0.175 48 G C 0.418 175.325 174.900 0.011 0.000 1.112 48 G CA 0.118 45.231 45.100 0.022 0.000 0.821 48 G HN 0.738 nan 8.290 nan 0.000 0.636 49 A N 0.024 122.847 122.820 0.005 0.000 1.841 49 A HA 0.188 4.508 4.320 0.000 0.000 0.216 49 A C 2.799 180.381 177.584 -0.002 0.000 1.199 49 A CA 3.479 55.515 52.037 -0.001 0.000 0.621 49 A CB -1.342 17.656 19.000 -0.003 0.000 0.835 49 A HN 1.615 nan 8.150 nan 0.000 0.445 50 A N -0.377 122.443 122.820 -0.001 0.000 1.903 50 A HA -0.254 4.066 4.320 0.000 0.000 0.219 50 A C 1.876 179.456 177.584 -0.008 0.000 1.191 50 A CA 2.330 54.365 52.037 -0.003 0.000 0.638 50 A CB -0.687 18.313 19.000 -0.000 0.000 0.823 50 A HN 0.614 nan 8.150 nan 0.000 0.451 51 E N -0.740 119.457 120.200 -0.004 0.000 2.047 51 E HA -0.078 4.272 4.350 0.000 0.000 0.191 51 E C 2.128 178.716 176.600 -0.021 0.000 0.987 51 E CA 1.632 58.025 56.400 -0.011 0.000 0.799 51 E CB -0.622 29.078 29.700 0.000 0.000 0.752 51 E HN 0.597 nan 8.360 nan 0.000 0.449 52 T N 0.825 115.371 114.554 -0.013 0.000 2.720 52 T HA -0.229 4.121 4.350 0.000 0.000 0.268 52 T C 1.993 176.677 174.700 -0.027 0.000 1.037 52 T CA 1.449 63.538 62.100 -0.018 0.000 1.144 52 T CB -0.448 68.414 68.868 -0.010 0.000 0.864 52 T HN 0.299 nan 8.240 nan 0.000 0.444 53 A N 1.831 124.638 122.820 -0.022 0.000 1.902 53 A HA -0.128 4.192 4.320 0.000 0.000 0.217 53 A C 2.412 179.978 177.584 -0.030 0.000 1.181 53 A CA 1.337 53.361 52.037 -0.023 0.000 0.623 53 A CB -0.494 18.496 19.000 -0.016 0.000 0.818 53 A HN 0.402 nan 8.150 nan 0.000 0.443 54 R N -0.565 119.915 120.500 -0.033 0.000 2.081 54 R HA -0.120 4.220 4.340 0.000 0.000 0.235 54 R C 2.504 178.767 176.300 -0.061 0.000 1.131 54 R CA 1.265 57.339 56.100 -0.043 0.000 0.960 54 R CB -0.536 29.737 30.300 -0.046 0.000 0.856 54 R HN 0.526 nan 8.270 nan 0.000 0.436 55 A N 1.374 124.152 122.820 -0.069 0.000 1.877 55 A HA -0.152 4.168 4.320 0.000 0.000 0.216 55 A C 2.188 179.725 177.584 -0.079 0.000 1.186 55 A CA 1.275 53.257 52.037 -0.091 0.000 0.620 55 A CB -0.491 18.457 19.000 -0.087 0.000 0.822 55 A HN 0.175 nan 8.150 nan 0.000 0.443 56 I N -0.662 119.873 120.570 -0.058 0.000 2.226 56 I HA -0.263 3.907 4.170 0.000 0.000 0.245 56 I C 2.477 178.569 176.117 -0.040 0.000 1.100 56 I CA 1.725 62.994 61.300 -0.052 0.000 1.374 56 I CB -0.379 37.597 38.000 -0.040 0.000 1.057 56 I HN 0.369 nan 8.210 nan 0.000 0.413 57 E N 0.669 120.849 120.200 -0.033 0.000 2.110 57 E HA -0.202 4.148 4.350 0.000 0.000 0.193 57 E C 2.264 178.853 176.600 -0.019 0.000 0.988 57 E CA 1.340 57.730 56.400 -0.018 0.000 0.804 57 E CB -0.155 29.535 29.700 -0.017 0.000 0.745 57 E HN 0.522 nan 8.360 nan 0.000 0.458 58 A N 0.794 123.587 122.820 -0.045 0.000 1.968 58 A HA 0.018 4.338 4.320 0.000 0.000 0.217 58 A C 2.308 179.864 177.584 -0.046 0.000 1.169 58 A CA 1.287 53.290 52.037 -0.056 0.000 0.638 58 A CB -0.495 18.444 19.000 -0.101 0.000 0.812 58 A HN 0.296 nan 8.150 nan 0.000 0.446 59 A N -0.524 122.261 122.820 -0.057 0.000 1.908 59 A HA -0.252 4.068 4.320 0.000 0.000 0.218 59 A C 2.186 179.787 177.584 0.028 0.000 1.181 59 A CA 1.877 53.882 52.037 -0.053 0.000 0.627 59 A CB -0.614 18.331 19.000 -0.090 0.000 0.818 59 A HN 0.639 nan 8.150 nan 0.000 0.445 60 Q N -0.745 119.080 119.800 0.042 0.000 2.084 60 Q HA -0.119 4.221 4.340 0.000 0.000 0.202 60 Q C 2.185 178.280 176.000 0.159 0.000 0.978 60 Q CA 1.594 57.473 55.803 0.128 0.000 0.844 60 Q CB -0.333 28.458 28.738 0.088 0.000 0.898 60 Q HN 0.624 nan 8.270 nan 0.000 0.426 61 A N 0.291 123.162 122.820 0.085 0.000 1.969 61 A HA -0.037 4.283 4.320 0.000 0.000 0.218 61 A C 2.136 179.773 177.584 0.089 0.000 1.169 61 A CA 1.469 53.548 52.037 0.069 0.000 0.635 61 A CB -0.654 18.362 19.000 0.027 0.000 0.810 61 A HN 0.514 nan 8.150 nan 0.000 0.445 62 A N -2.078 120.798 122.820 0.094 0.000 2.119 62 A HA 0.021 4.341 4.320 0.000 0.000 0.216 62 A C 1.788 179.517 177.584 0.242 0.000 1.152 62 A CA 1.095 53.197 52.037 0.108 0.000 0.708 62 A CB -0.640 18.373 19.000 0.021 0.000 0.805 62 A HN 0.781 nan 8.150 nan 0.000 0.460 63 W N 1.232 122.566 121.300 0.057 0.000 2.355 63 W HA -0.168 4.492 4.660 0.000 0.000 0.309 63 W C 2.359 178.959 176.519 0.134 0.000 1.206 63 W CA 1.575 58.988 57.345 0.114 0.000 1.284 63 W CB -0.761 28.747 29.460 0.079 0.000 1.145 63 W HN 0.352 nan 8.180 nan 0.000 0.502 64 A N 0.736 123.561 122.820 0.009 0.000 1.873 64 A HA -0.137 4.183 4.320 0.000 0.000 0.218 64 A C 2.339 179.890 177.584 -0.055 0.000 1.193 64 A CA 2.720 54.657 52.037 -0.167 0.000 0.629 64 A CB -1.671 17.263 19.000 -0.110 0.000 0.826 64 A HN 0.421 nan 8.150 nan 0.000 0.447 65 G N -1.870 106.962 108.800 0.054 0.000 2.418 65 G HA2 -0.289 3.671 3.960 0.000 0.000 0.217 65 G HA3 -0.289 3.671 3.960 0.000 0.000 0.217 65 G C 1.554 176.545 174.900 0.153 0.000 1.158 65 G CA 0.900 46.051 45.100 0.085 0.000 0.771 65 G HN 0.701 nan 8.290 nan 0.000 0.545 66 W N 2.480 123.803 121.300 0.040 0.000 2.381 66 W HA -0.122 4.538 4.660 0.000 0.000 0.301 66 W C 2.754 179.314 176.519 0.067 0.000 1.205 66 W CA 1.399 58.788 57.345 0.074 0.000 1.285 66 W CB 0.054 29.599 29.460 0.140 0.000 1.133 66 W HN 0.332 nan 8.180 nan 0.000 0.521 67 R N 0.146 120.676 120.500 0.050 0.000 2.189 67 R HA -0.122 4.218 4.340 0.000 0.000 0.218 67 R C 2.015 178.222 176.300 -0.155 0.000 1.074 67 R CA 1.409 57.454 56.100 -0.091 0.000 0.991 67 R CB -0.929 29.314 30.300 -0.095 0.000 0.883 67 R HN 0.199 nan 8.270 nan 0.000 0.457 68 M N 1.267 120.788 119.600 -0.131 0.000 2.319 68 M HA 0.035 4.515 4.480 0.000 0.000 0.265 68 M C 0.036 176.260 176.300 -0.128 0.000 1.068 68 M CA 1.162 56.392 55.300 -0.115 0.000 1.118 68 M CB 0.289 32.841 32.600 -0.081 0.000 1.395 68 M HN -0.005 nan 8.290 nan 0.000 0.435 69 K N 1.433 121.727 120.400 -0.176 0.000 2.414 69 K HA 0.042 4.362 4.320 0.000 0.000 0.272 69 K C 0.400 176.868 176.600 -0.220 0.000 0.993 69 K CA 0.254 56.415 56.287 -0.210 0.000 0.964 69 K CB 0.076 32.379 32.500 -0.329 0.000 0.925 69 K HN 0.278 nan 8.250 nan 0.000 0.487 70 T N -0.994 113.463 114.554 -0.162 0.000 2.860 70 T HA 0.174 4.524 4.350 0.000 0.000 0.299 70 T C 1.458 176.057 174.700 -0.167 0.000 1.045 70 T CA -0.243 61.775 62.100 -0.136 0.000 1.071 70 T CB 1.362 70.175 68.868 -0.091 0.000 0.985 70 T HN 0.571 nan 8.240 nan 0.000 0.537 71 A N 1.860 124.602 122.820 -0.131 0.000 1.884 71 A HA -0.164 4.156 4.320 0.000 0.000 0.219 71 A C 2.389 179.916 177.584 -0.095 0.000 1.197 71 A CA 2.178 54.147 52.037 -0.114 0.000 0.637 71 A CB -1.097 17.861 19.000 -0.069 0.000 0.827 71 A HN 0.988 nan 8.150 nan 0.000 0.450 72 K N -0.792 119.562 120.400 -0.076 0.000 2.059 72 K HA -0.254 4.066 4.320 0.000 0.000 0.212 72 K C 2.179 178.745 176.600 -0.057 0.000 1.050 72 K CA 2.002 58.254 56.287 -0.058 0.000 0.927 72 K CB -0.189 32.281 32.500 -0.049 0.000 0.714 72 K HN 0.699 nan 8.250 nan 0.000 0.447 73 E N 0.158 120.310 120.200 -0.081 0.000 2.106 73 E HA -0.175 4.175 4.350 0.000 0.000 0.192 73 E C 2.023 178.568 176.600 -0.092 0.000 0.984 73 E CA 0.888 57.242 56.400 -0.077 0.000 0.806 73 E CB 0.164 29.808 29.700 -0.092 0.000 0.750 73 E HN 0.247 nan 8.360 nan 0.000 0.458 74 R N -0.120 120.267 120.500 -0.188 0.000 2.120 74 R HA -0.081 4.259 4.340 0.000 0.000 0.234 74 R C 2.326 178.639 176.300 0.021 0.000 1.123 74 R CA 0.933 56.907 56.100 -0.211 0.000 0.975 74 R CB -0.214 29.837 30.300 -0.416 0.000 0.866 74 R HN 0.117 nan 8.270 nan 0.000 0.446 75 A N 1.182 124.004 122.820 0.004 0.000 1.969 75 A HA -0.071 4.249 4.320 0.000 0.000 0.218 75 A C 2.319 179.946 177.584 0.072 0.000 1.169 75 A CA 1.543 53.606 52.037 0.044 0.000 0.635 75 A CB -0.394 18.605 19.000 -0.002 0.000 0.810 75 A HN 0.382 nan 8.150 nan 0.000 0.445 76 A N -0.146 122.708 122.820 0.057 0.000 1.898 76 A HA -0.010 4.311 4.320 0.000 0.000 0.216 76 A C 1.998 179.656 177.584 0.124 0.000 1.181 76 A CA 1.514 53.596 52.037 0.074 0.000 0.620 76 A CB -0.531 18.497 19.000 0.047 0.000 0.819 76 A HN 0.411 nan 8.150 nan 0.000 0.442 77 I N -0.157 120.505 120.570 0.152 0.000 2.226 77 I HA -0.239 3.931 4.170 0.000 0.000 0.245 77 I C 2.397 178.668 176.117 0.256 0.000 1.100 77 I CA 1.085 62.505 61.300 0.201 0.000 1.374 77 I CB -0.283 37.882 38.000 0.275 0.000 1.057 77 I HN 0.271 nan 8.210 nan 0.000 0.413 78 L N -0.356 121.041 121.223 0.290 0.000 2.027 78 L HA -0.191 4.149 4.340 0.000 0.000 0.206 78 L C 2.704 179.791 176.870 0.362 0.000 1.074 78 L CA 1.265 56.331 54.840 0.376 0.000 0.745 78 L CB -0.495 41.768 42.059 0.340 0.000 0.898 78 L HN 0.149 nan 8.230 nan 0.000 0.433 79 R N 0.002 120.647 120.500 0.242 0.000 2.127 79 R HA -0.150 4.190 4.340 0.000 0.000 0.238 79 R C 2.443 178.938 176.300 0.324 0.000 1.134 79 R CA 1.215 57.452 56.100 0.227 0.000 0.975 79 R CB -0.023 30.343 30.300 0.110 0.000 0.865 79 R HN 0.252 nan 8.270 nan 0.000 0.447 80 R N -0.997 119.666 120.500 0.270 0.000 2.075 80 R HA -0.176 4.164 4.340 0.000 0.000 0.232 80 R C 1.898 178.385 176.300 0.312 0.000 1.126 80 R CA 1.454 57.700 56.100 0.243 0.000 0.963 80 R CB -0.446 29.961 30.300 0.178 0.000 0.858 80 R HN 0.339 nan 8.270 nan 0.000 0.435 81 W N 1.267 122.650 121.300 0.139 0.000 2.355 81 W HA -0.223 4.437 4.660 0.000 0.000 0.309 81 W C 1.906 178.509 176.519 0.140 0.000 1.206 81 W CA 0.860 58.274 57.345 0.115 0.000 1.284 81 W CB -0.900 28.630 29.460 0.118 0.000 1.145 81 W HN -0.001 nan 8.180 nan 0.000 0.502 82 F N 1.998 122.013 119.950 0.108 0.000 2.065 82 F HA -0.313 4.214 4.527 0.000 0.000 0.298 82 F C 2.055 177.853 175.800 -0.004 0.000 1.112 82 F CA 2.742 60.723 58.000 -0.032 0.000 1.212 82 F CB -0.794 38.222 39.000 0.027 0.000 0.975 82 F HN -0.234 nan 8.300 nan 0.000 0.476 83 D N 0.825 121.218 120.400 -0.011 0.000 2.104 83 D HA -0.197 4.444 4.640 0.000 0.000 0.194 83 D C 2.417 178.635 176.300 -0.135 0.000 0.994 83 D CA 1.890 55.818 54.000 -0.120 0.000 0.830 83 D CB -0.695 40.158 40.800 0.089 0.000 0.959 83 D HN 0.369 nan 8.370 nan 0.000 0.452 84 L N 0.277 121.493 121.223 -0.013 0.000 2.131 84 L HA -0.132 4.208 4.340 0.000 0.000 0.210 84 L C 2.463 179.313 176.870 -0.033 0.000 1.092 84 L CA 0.410 55.262 54.840 0.020 0.000 0.759 84 L CB -0.161 41.972 42.059 0.122 0.000 0.903 84 L HN -0.051 nan 8.230 nan 0.000 0.435 85 V N -0.413 119.423 119.914 -0.130 0.000 2.379 85 V HA -0.247 3.873 4.120 0.000 0.000 0.245 85 V C 2.380 178.356 176.094 -0.196 0.000 1.044 85 V CA 1.231 63.423 62.300 -0.180 0.000 1.036 85 V CB -0.257 31.377 31.823 -0.315 0.000 0.664 85 V HN 0.256 nan 8.190 nan 0.000 0.453 86 I N 0.838 121.215 120.570 -0.321 0.000 2.142 86 I HA -0.208 3.962 4.170 0.000 0.000 0.240 86 I C 2.713 178.742 176.117 -0.147 0.000 1.078 86 I CA 2.054 63.182 61.300 -0.287 0.000 1.343 86 I CB -1.561 36.166 38.000 -0.455 0.000 1.046 86 I HN 0.314 nan 8.210 nan 0.000 0.405 87 A N 0.517 123.267 122.820 -0.117 0.000 2.019 87 A HA -0.156 4.164 4.320 0.000 0.000 0.219 87 A C 1.745 179.312 177.584 -0.028 0.000 1.164 87 A CA 1.472 53.477 52.037 -0.053 0.000 0.644 87 A CB -0.509 18.473 19.000 -0.029 0.000 0.805 87 A HN 0.502 nan 8.150 nan 0.000 0.449 88 N N -0.594 118.090 118.700 -0.026 0.000 2.234 88 N HA 0.035 4.775 4.740 0.000 0.000 0.227 88 N C 1.306 176.811 175.510 -0.007 0.000 1.151 88 N CA 0.706 53.756 53.050 0.000 0.000 0.865 88 N CB 0.542 39.048 38.487 0.033 0.000 1.066 88 N HN 0.467 nan 8.380 nan 0.000 0.515 89 S N 1.823 117.506 115.700 -0.028 0.000 2.378 89 S HA -0.222 4.248 4.470 0.000 0.000 0.229 89 S C 1.391 175.988 174.600 -0.004 0.000 1.052 89 S CA 1.593 59.780 58.200 -0.022 0.000 1.084 89 S CB -0.026 63.157 63.200 -0.029 0.000 0.950 89 S HN 0.217 nan 8.310 nan 0.000 0.440 90 D N 0.969 121.367 120.400 -0.003 0.000 2.092 90 D HA -0.092 4.548 4.640 0.000 0.000 0.193 90 D C 1.770 178.071 176.300 0.002 0.000 0.994 90 D CA 1.548 55.549 54.000 0.001 0.000 0.828 90 D CB -0.740 40.060 40.800 -0.000 0.000 0.963 90 D HN 0.472 nan 8.370 nan 0.000 0.450 91 D N 0.062 120.462 120.400 0.001 0.000 2.144 91 D HA -0.046 4.594 4.640 0.000 0.000 0.200 91 D C 2.367 178.668 176.300 0.002 0.000 0.978 91 D CA 0.256 54.254 54.000 -0.003 0.000 0.833 91 D CB -0.255 40.543 40.800 -0.003 0.000 0.961 91 D HN 0.195 nan 8.370 nan 0.000 0.470 92 L N 0.481 121.712 121.223 0.014 0.000 2.046 92 L HA -0.137 4.203 4.340 0.000 0.000 0.208 92 L C 2.486 179.371 176.870 0.026 0.000 1.077 92 L CA 1.085 55.941 54.840 0.026 0.000 0.747 92 L CB -0.415 41.663 42.059 0.030 0.000 0.896 92 L HN -0.022 nan 8.230 nan 0.000 0.432 93 A N -0.118 122.714 122.820 0.020 0.000 1.908 93 A HA -0.239 4.081 4.320 0.000 0.000 0.218 93 A C 2.203 179.797 177.584 0.017 0.000 1.181 93 A CA 1.837 53.887 52.037 0.021 0.000 0.627 93 A CB -0.647 18.365 19.000 0.019 0.000 0.818 93 A HN 0.336 nan 8.150 nan 0.000 0.445 94 L N -0.625 120.603 121.223 0.009 0.000 2.240 94 L HA 0.089 4.429 4.340 0.000 0.000 0.211 94 L C 2.096 178.966 176.870 0.000 0.000 1.106 94 L CA 1.119 55.961 54.840 0.003 0.000 0.793 94 L CB -0.257 41.798 42.059 -0.006 0.000 0.927 94 L HN 0.414 nan 8.230 nan 0.000 0.446 95 I N -1.371 119.199 120.570 0.001 0.000 2.252 95 I HA -0.299 3.871 4.170 0.000 0.000 0.245 95 I C 2.333 178.483 176.117 0.054 0.000 1.102 95 I CA 1.191 62.496 61.300 0.009 0.000 1.385 95 I CB -0.229 37.777 38.000 0.009 0.000 1.064 95 I HN 0.250 nan 8.210 nan 0.000 0.414 96 L N 0.113 121.366 121.223 0.050 0.000 1.976 96 L HA -0.245 4.095 4.340 0.000 0.000 0.209 96 L C 2.663 179.554 176.870 0.036 0.000 1.071 96 L CA 1.838 56.709 54.840 0.051 0.000 0.746 96 L CB -0.437 41.643 42.059 0.035 0.000 0.890 96 L HN 0.216 nan 8.230 nan 0.000 0.432 97 T N -0.937 113.630 114.554 0.022 0.000 2.624 97 T HA -0.242 4.108 4.350 0.000 0.000 0.268 97 T C 1.698 176.411 174.700 0.022 0.000 1.041 97 T CA 2.177 64.287 62.100 0.016 0.000 1.159 97 T CB -0.453 68.425 68.868 0.016 0.000 0.863 97 T HN 0.455 nan 8.240 nan 0.000 0.434 98 T N 1.989 116.560 114.554 0.028 0.000 2.788 98 T HA -0.127 4.223 4.350 0.000 0.000 0.268 98 T C 2.013 176.746 174.700 0.054 0.000 1.044 98 T CA 1.632 63.752 62.100 0.032 0.000 1.139 98 T CB -0.259 68.620 68.868 0.018 0.000 0.867 98 T HN 0.783 nan 8.240 nan 0.000 0.454 99 E N 0.145 120.395 120.200 0.084 0.000 2.250 99 E HA 0.012 4.362 4.350 0.000 0.000 0.192 99 E C 2.232 178.865 176.600 0.054 0.000 0.986 99 E CA 0.397 56.861 56.400 0.107 0.000 0.849 99 E CB -0.028 29.782 29.700 0.184 0.000 0.797 99 E HN 0.283 nan 8.360 nan 0.000 0.482 100 Q N 0.077 119.901 119.800 0.040 0.000 2.471 100 Q HA 0.104 4.444 4.340 0.000 0.000 0.241 100 Q C 1.216 177.211 176.000 -0.008 0.000 0.886 100 Q CA 1.432 57.255 55.803 0.033 0.000 0.953 100 Q CB 1.263 30.035 28.738 0.058 0.000 1.108 100 Q HN 0.438 nan 8.270 nan 0.000 0.575 101 G N 1.782 110.571 108.800 -0.019 0.000 2.380 101 G HA2 -0.229 3.731 3.960 0.000 0.000 0.197 101 G HA3 -0.229 3.731 3.960 0.000 0.000 0.197 101 G C 0.018 174.899 174.900 -0.032 0.000 1.001 101 G CA 0.104 45.172 45.100 -0.053 0.000 0.668 101 G HN 0.402 nan 8.290 nan 0.000 0.483 102 K N 1.414 121.800 120.400 -0.023 0.000 2.319 102 K HA 0.505 4.825 4.320 0.000 0.000 0.265 102 K C -2.617 173.985 176.600 0.004 0.000 1.000 102 K CA -1.171 55.106 56.287 -0.017 0.000 0.943 102 K CB 0.608 33.074 32.500 -0.057 0.000 0.950 102 K HN 0.063 nan 8.250 nan 0.000 0.485 103 P HA -0.105 nan 4.420 nan 0.000 0.266 103 P C 0.752 178.064 177.300 0.021 0.000 1.195 103 P CA -0.091 63.027 63.100 0.029 0.000 0.768 103 P CB 0.474 32.195 31.700 0.035 0.000 0.838 104 L N 2.808 124.045 121.223 0.023 0.000 2.081 104 L HA -0.300 4.040 4.340 0.000 0.000 0.212 104 L C 2.045 178.929 176.870 0.023 0.000 1.080 104 L CA 2.265 57.117 54.840 0.021 0.000 0.754 104 L CB -0.765 41.306 42.059 0.019 0.000 0.893 104 L HN 0.440 nan 8.230 nan 0.000 0.433 105 A N -0.585 122.250 122.820 0.025 0.000 1.908 105 A HA -0.264 4.056 4.320 0.000 0.000 0.218 105 A C 2.087 179.691 177.584 0.034 0.000 1.181 105 A CA 1.883 53.937 52.037 0.028 0.000 0.627 105 A CB -0.468 18.548 19.000 0.027 0.000 0.818 105 A HN 0.530 nan 8.150 nan 0.000 0.445 106 E N -0.618 119.600 120.200 0.031 0.000 2.072 106 E HA -0.069 4.281 4.350 0.000 0.000 0.191 106 E C 2.384 179.004 176.600 0.034 0.000 0.985 106 E CA 0.803 57.222 56.400 0.032 0.000 0.801 106 E CB -0.242 29.467 29.700 0.014 0.000 0.750 106 E HN 0.612 nan 8.360 nan 0.000 0.452 107 A N 1.726 124.558 122.820 0.019 0.000 1.902 107 A HA -0.216 4.104 4.320 0.000 0.000 0.217 107 A C 1.957 179.572 177.584 0.051 0.000 1.181 107 A CA 1.412 53.463 52.037 0.024 0.000 0.623 107 A CB -0.298 18.710 19.000 0.015 0.000 0.818 107 A HN 0.050 nan 8.150 nan 0.000 0.443 108 K N -0.851 119.576 120.400 0.045 0.000 2.147 108 K HA -0.109 4.211 4.320 0.000 0.000 0.205 108 K C 2.050 178.692 176.600 0.071 0.000 1.049 108 K CA 1.029 57.344 56.287 0.047 0.000 0.936 108 K CB -0.370 32.150 32.500 0.034 0.000 0.722 108 K HN 0.494 nan 8.250 nan 0.000 0.446 109 G N 1.265 110.114 108.800 0.081 0.000 2.403 109 G HA2 -0.277 3.683 3.960 0.000 0.000 0.216 109 G HA3 -0.277 3.683 3.960 0.000 0.000 0.216 109 G C 1.343 176.357 174.900 0.189 0.000 1.154 109 G CA 0.711 45.874 45.100 0.106 0.000 0.784 109 G HN 0.418 nan 8.290 nan 0.000 0.538 110 E N 0.075 120.406 120.200 0.219 0.000 2.072 110 E HA -0.099 4.251 4.350 0.000 0.000 0.190 110 E C 2.378 179.154 176.600 0.295 0.000 0.982 110 E CA 0.593 57.215 56.400 0.371 0.000 0.803 110 E CB -0.111 29.764 29.700 0.292 0.000 0.755 110 E HN 0.245 nan 8.360 nan 0.000 0.453 111 I N 1.671 122.339 120.570 0.163 0.000 2.208 111 I HA -0.225 3.945 4.170 0.000 0.000 0.245 111 I C 2.531 178.700 176.117 0.087 0.000 1.097 111 I CA 1.496 62.852 61.300 0.093 0.000 1.363 111 I CB -1.618 36.408 38.000 0.044 0.000 1.051 111 I HN 0.239 nan 8.210 nan 0.000 0.413 112 A N -0.448 122.442 122.820 0.116 0.000 1.969 112 A HA -0.244 4.076 4.320 0.000 0.000 0.218 112 A C 2.328 180.024 177.584 0.188 0.000 1.169 112 A CA 1.137 53.242 52.037 0.112 0.000 0.635 112 A CB -0.881 18.179 19.000 0.101 0.000 0.810 112 A HN 0.468 nan 8.150 nan 0.000 0.445 113 Y N 0.641 120.998 120.300 0.094 0.000 2.220 113 Y HA 0.072 4.622 4.550 0.000 0.000 0.291 113 Y C 2.555 178.602 175.900 0.244 0.000 1.129 113 Y CA 0.780 58.952 58.100 0.120 0.000 1.161 113 Y CB -0.803 37.747 38.460 0.149 0.000 0.997 113 Y HN 0.286 nan 8.280 nan 0.000 0.522 114 A N 1.107 123.993 122.820 0.109 0.000 1.865 114 A HA -0.176 4.144 4.320 0.000 0.000 0.217 114 A C 2.516 180.145 177.584 0.074 0.000 1.191 114 A CA 2.543 54.599 52.037 0.032 0.000 0.623 114 A CB -1.660 17.332 19.000 -0.014 0.000 0.826 114 A HN 0.634 nan 8.150 nan 0.000 0.444 115 A N 0.264 123.116 122.820 0.054 0.000 1.917 115 A HA -0.177 4.143 4.320 0.000 0.000 0.219 115 A C 2.520 180.292 177.584 0.314 0.000 1.182 115 A CA 2.777 54.882 52.037 0.114 0.000 0.633 115 A CB -1.131 17.865 19.000 -0.005 0.000 0.819 115 A HN 1.177 nan 8.150 nan 0.000 0.448 116 S N -1.423 114.395 115.700 0.197 0.000 2.423 116 S HA -0.106 4.364 4.470 0.000 0.000 0.231 116 S C 1.673 176.267 174.600 -0.010 0.000 1.014 116 S CA 1.326 59.577 58.200 0.085 0.000 0.965 116 S CB -0.711 62.469 63.200 -0.034 0.000 0.785 116 S HN 0.363 nan 8.310 nan 0.000 0.495 117 F N 1.820 121.787 119.950 0.028 0.000 2.206 117 F HA 0.244 4.771 4.527 0.000 0.000 0.298 117 F C 2.103 178.039 175.800 0.227 0.000 1.090 117 F CA 0.590 58.631 58.000 0.069 0.000 1.323 117 F CB -0.377 38.618 39.000 -0.008 0.000 1.028 117 F HN 0.195 nan 8.300 nan 0.000 0.492 118 I N -0.628 120.135 120.570 0.322 0.000 2.286 118 I HA -0.217 3.953 4.170 0.000 0.000 0.245 118 I C 2.424 178.665 176.117 0.206 0.000 1.104 118 I CA 1.272 62.738 61.300 0.277 0.000 1.397 118 I CB -0.551 37.514 38.000 0.107 0.000 1.072 118 I HN 0.132 nan 8.210 nan 0.000 0.417 119 E N 1.061 121.296 120.200 0.059 0.000 2.077 119 E HA -0.265 4.085 4.350 0.000 0.000 0.193 119 E C 2.151 178.700 176.600 -0.086 0.000 0.989 119 E CA 1.349 57.615 56.400 -0.222 0.000 0.800 119 E CB -0.198 29.153 29.700 -0.583 0.000 0.746 119 E HN 0.605 nan 8.360 nan 0.000 0.452 120 W N 0.286 121.464 121.300 -0.203 0.000 2.355 120 W HA -0.237 4.423 4.660 0.000 0.000 0.309 120 W C 1.446 177.797 176.519 -0.279 0.000 1.206 120 W CA 1.127 58.283 57.345 -0.315 0.000 1.284 120 W CB -0.339 28.810 29.460 -0.519 0.000 1.145 120 W HN 0.120 nan 8.180 nan 0.000 0.502 121 F N 0.776 120.811 119.950 0.143 0.000 2.234 121 F HA 0.026 4.553 4.527 0.000 0.000 0.296 121 F C 2.737 178.532 175.800 -0.008 0.000 1.089 121 F CA 1.619 59.661 58.000 0.071 0.000 1.343 121 F CB -1.450 37.659 39.000 0.182 0.000 1.040 121 F HN -0.135 nan 8.300 nan 0.000 0.498 122 A N 0.351 123.274 122.820 0.172 0.000 1.903 122 A HA -0.280 4.040 4.320 0.000 0.000 0.219 122 A C 2.106 179.667 177.584 -0.039 0.000 1.191 122 A CA 2.287 54.370 52.037 0.077 0.000 0.638 122 A CB -0.887 18.143 19.000 0.051 0.000 0.823 122 A HN 0.473 nan 8.150 nan 0.000 0.451 123 E N -0.893 119.210 120.200 -0.162 0.000 2.152 123 E HA -0.132 4.218 4.350 0.000 0.000 0.192 123 E C 1.967 178.396 176.600 -0.285 0.000 0.983 123 E CA 0.862 57.102 56.400 -0.266 0.000 0.818 123 E CB -0.065 29.389 29.700 -0.411 0.000 0.758 123 E HN 0.534 nan 8.360 nan 0.000 0.467 124 E N 0.228 120.255 120.200 -0.288 0.000 2.107 124 E HA -0.080 4.270 4.350 0.000 0.000 0.191 124 E C 2.223 178.815 176.600 -0.012 0.000 0.982 124 E CA 0.846 57.142 56.400 -0.174 0.000 0.809 124 E CB -0.330 29.352 29.700 -0.030 0.000 0.756 124 E HN 0.336 nan 8.360 nan 0.000 0.459 125 G N 1.638 110.459 108.800 0.035 0.000 2.450 125 G HA2 -0.264 3.696 3.960 0.000 0.000 0.220 125 G HA3 -0.264 3.696 3.960 0.000 0.000 0.220 125 G C 1.476 176.372 174.900 -0.006 0.000 1.130 125 G CA 0.536 45.660 45.100 0.040 0.000 0.760 125 G HN 0.226 nan 8.290 nan 0.000 0.557 126 K N -0.310 120.066 120.400 -0.040 0.000 2.525 126 K HA 0.132 4.452 4.320 0.000 0.000 0.192 126 K C 1.977 178.548 176.600 -0.048 0.000 1.029 126 K CA 0.212 56.468 56.287 -0.051 0.000 1.029 126 K CB 0.200 32.658 32.500 -0.069 0.000 0.814 126 K HN 0.203 nan 8.250 nan 0.000 0.503 127 R N -0.087 120.388 120.500 -0.041 0.000 2.469 127 R HA 0.116 4.456 4.340 0.000 0.000 0.250 127 R C -0.162 176.138 176.300 0.000 0.000 0.909 127 R CA -0.147 55.931 56.100 -0.037 0.000 1.050 127 R CB 0.890 31.146 30.300 -0.074 0.000 1.256 127 R HN -0.131 nan 8.270 nan 0.000 0.550 128 V N 2.482 122.412 119.914 0.027 0.000 2.703 128 V HA -0.042 4.078 4.120 0.000 0.000 0.300 128 V C 0.277 176.394 176.094 0.039 0.000 1.063 128 V CA 0.609 62.942 62.300 0.054 0.000 1.240 128 V CB 0.026 31.890 31.823 0.069 0.000 0.845 128 V HN 0.270 nan 8.190 nan 0.000 0.476 129 A N 4.598 127.445 122.820 0.046 0.000 2.422 129 A HA 0.879 5.199 4.320 0.000 0.000 0.302 129 A C 0.211 177.821 177.584 0.043 0.000 1.041 129 A CA 0.021 52.078 52.037 0.034 0.000 0.708 129 A CB 1.818 20.829 19.000 0.018 0.000 1.257 129 A HN 0.981 nan 8.150 nan 0.000 0.414 130 G N 0.257 109.081 108.800 0.039 0.000 2.702 130 G HA2 0.679 4.639 3.960 0.000 0.000 0.254 130 G HA3 0.679 4.639 3.960 0.000 0.000 0.254 130 G C -0.892 174.029 174.900 0.036 0.000 1.380 130 G CA -0.024 45.103 45.100 0.045 0.000 1.042 130 G HN 0.901 nan 8.290 nan 0.000 0.557 131 D N -2.493 117.930 120.400 0.039 0.000 2.596 131 D HA 0.505 5.145 4.640 0.000 0.000 0.262 131 D C -0.734 175.588 176.300 0.037 0.000 1.210 131 D CA -0.642 53.377 54.000 0.032 0.000 0.873 131 D CB 1.385 42.201 40.800 0.027 0.000 1.408 131 D HN 0.558 nan 8.370 nan 0.000 0.441 132 T N -1.157 113.415 114.554 0.030 0.000 2.770 132 T HA 0.686 5.036 4.350 0.000 0.000 0.283 132 T C -0.525 174.192 174.700 0.028 0.000 0.988 132 T CA -0.814 61.307 62.100 0.034 0.000 0.957 132 T CB 0.170 69.054 68.868 0.027 0.000 0.930 132 T HN 0.384 nan 8.240 nan 0.000 0.443 133 L N 3.593 124.836 121.223 0.033 0.000 2.334 133 L HA 0.591 4.931 4.340 0.000 0.000 0.273 133 L C -2.332 174.551 176.870 0.021 0.000 1.013 133 L CA -2.731 52.121 54.840 0.021 0.000 0.816 133 L CB 1.571 43.636 42.059 0.009 0.000 1.278 133 L HN 0.420 nan 8.230 nan 0.000 0.431 134 P HA 0.037 nan 4.420 nan 0.000 0.267 134 P C -0.298 177.010 177.300 0.015 0.000 1.209 134 P CA -0.056 63.052 63.100 0.013 0.000 0.763 134 P CB 0.636 32.340 31.700 0.008 0.000 0.816 135 T N 3.853 118.420 114.554 0.021 0.000 2.907 135 T HA 0.276 4.626 4.350 0.000 0.000 0.298 135 T C -1.190 173.521 174.700 0.018 0.000 1.017 135 T CA -1.378 60.738 62.100 0.026 0.000 1.118 135 T CB 0.035 68.924 68.868 0.035 0.000 0.948 135 T HN 0.307 nan 8.240 nan 0.000 0.531 136 P HA 0.299 nan 4.420 nan 0.000 0.261 136 P C -0.580 176.730 177.300 0.017 0.000 1.268 136 P CA 0.129 63.236 63.100 0.013 0.000 0.833 136 P CB 0.338 32.043 31.700 0.008 0.000 1.231 137 D N -0.100 120.314 120.400 0.023 0.000 2.686 137 D HA 0.384 5.024 4.640 0.000 0.000 0.249 137 D C 0.708 177.021 176.300 0.022 0.000 1.260 137 D CA -0.637 53.377 54.000 0.023 0.000 0.910 137 D CB 2.072 42.889 40.800 0.028 0.000 1.323 137 D HN -0.150 nan 8.370 nan 0.000 0.561 138 A N 3.958 126.788 122.820 0.016 0.000 2.125 138 A HA -0.154 4.166 4.320 0.000 0.000 0.219 138 A C 1.450 179.042 177.584 0.014 0.000 1.156 138 A CA 0.904 52.950 52.037 0.014 0.000 0.671 138 A CB -0.197 18.809 19.000 0.010 0.000 0.794 138 A HN 0.573 nan 8.150 nan 0.000 0.459 139 N N -0.117 118.592 118.700 0.015 0.000 2.467 139 N HA 0.042 4.782 4.740 0.000 0.000 0.184 139 N C -0.102 175.417 175.510 0.015 0.000 1.106 139 N CA 0.690 53.748 53.050 0.012 0.000 0.892 139 N CB 0.157 38.650 38.487 0.011 0.000 0.969 139 N HN 0.527 nan 8.380 nan 0.000 0.454 140 K N 0.250 120.664 120.400 0.023 0.000 2.371 140 K HA 0.440 4.760 4.320 0.000 0.000 0.251 140 K C -0.667 175.956 176.600 0.038 0.000 0.934 140 K CA -0.768 55.537 56.287 0.029 0.000 0.798 140 K CB 1.925 34.451 32.500 0.042 0.000 1.204 140 K HN -0.290 nan 8.250 nan 0.000 0.427 141 R N 1.764 122.286 120.500 0.037 0.000 2.514 141 R HA 0.490 4.830 4.340 0.000 0.000 0.301 141 R C -0.751 175.595 176.300 0.077 0.000 0.962 141 R CA -0.641 55.486 56.100 0.045 0.000 0.882 141 R CB 0.719 31.035 30.300 0.027 0.000 1.143 141 R HN 0.572 nan 8.270 nan 0.000 0.452 142 I N 3.403 124.036 120.570 0.104 0.000 2.330 142 I HA 0.352 4.522 4.170 0.000 0.000 0.289 142 I C -0.625 175.576 176.117 0.140 0.000 1.001 142 I CA -0.825 60.585 61.300 0.184 0.000 1.193 142 I CB 1.463 39.572 38.000 0.181 0.000 1.345 142 I HN 0.070 nan 8.210 nan 0.000 0.461 143 V N 7.315 127.321 119.914 0.154 0.000 2.588 143 V HA 0.445 4.565 4.120 0.000 0.000 0.304 143 V C -0.295 175.884 176.094 0.142 0.000 1.042 143 V CA -0.685 61.677 62.300 0.104 0.000 0.877 143 V CB 2.469 34.324 31.823 0.053 0.000 0.996 143 V HN 0.349 nan 8.190 nan 0.000 0.425 144 V N 5.492 125.474 119.914 0.113 0.000 2.444 144 V HA 0.605 4.725 4.120 0.000 0.000 0.294 144 V C -0.133 176.008 176.094 0.078 0.000 1.022 144 V CA -0.555 61.817 62.300 0.119 0.000 0.850 144 V CB 1.883 33.768 31.823 0.104 0.000 0.992 144 V HN 0.765 nan 8.190 nan 0.000 0.426 145 V N 2.604 122.562 119.914 0.073 0.000 2.994 145 V HA 0.749 4.869 4.120 0.000 0.000 0.318 145 V C -0.505 175.628 176.094 0.065 0.000 1.085 145 V CA -0.971 61.363 62.300 0.056 0.000 0.998 145 V CB 2.060 33.906 31.823 0.039 0.000 1.063 145 V HN 0.771 nan 8.190 nan 0.000 0.447 146 K N 1.381 121.818 120.400 0.061 0.000 2.259 146 K HA 0.677 4.997 4.320 0.000 0.000 0.252 146 K C -1.026 175.621 176.600 0.079 0.000 0.936 146 K CA -0.602 55.730 56.287 0.075 0.000 0.810 146 K CB 2.090 34.637 32.500 0.078 0.000 1.143 146 K HN 0.985 nan 8.250 nan 0.000 0.427 147 E N 1.858 122.120 120.200 0.102 0.000 2.408 147 E HA 0.384 4.734 4.350 0.000 0.000 0.275 147 E C -2.909 173.805 176.600 0.190 0.000 0.935 147 E CA -2.605 53.871 56.400 0.127 0.000 0.775 147 E CB 1.668 31.433 29.700 0.108 0.000 1.277 147 E HN 0.193 nan 8.360 nan 0.000 0.455 148 P HA -0.002 nan 4.420 nan 0.000 0.265 148 P C 0.493 178.005 177.300 0.353 0.000 1.193 148 P CA 0.145 63.452 63.100 0.345 0.000 0.765 148 P CB 0.969 33.007 31.700 0.563 0.000 0.823 149 I N 1.540 122.205 120.570 0.158 0.000 2.202 149 I HA -0.026 4.144 4.170 0.000 0.000 0.242 149 I C 1.082 177.124 176.117 -0.126 0.000 1.091 149 I CA 2.154 63.490 61.300 0.059 0.000 1.368 149 I CB -0.311 37.691 38.000 0.003 0.000 1.058 149 I HN 0.686 nan 8.210 nan 0.000 0.410 150 G N -0.882 107.574 108.800 -0.573 0.000 2.347 150 G HA2 -0.001 3.959 3.960 0.000 0.000 0.224 150 G HA3 -0.001 3.959 3.960 0.000 0.000 0.224 150 G C -1.124 173.218 174.900 -0.930 0.000 1.318 150 G CA -0.240 44.039 45.100 -1.370 0.000 1.016 150 G HN -0.039 nan 8.290 nan 0.000 0.469 151 V N 0.780 120.314 119.914 -0.634 0.000 2.485 151 V HA 0.341 4.461 4.120 0.000 0.000 0.287 151 V C 0.670 176.634 176.094 -0.217 0.000 1.022 151 V CA -0.067 62.019 62.300 -0.357 0.000 1.067 151 V CB 0.004 31.701 31.823 -0.210 0.000 0.967 151 V HN 0.795 nan 8.190 nan 0.000 0.479 152 C N 4.766 123.974 119.300 -0.154 0.000 2.365 152 C HA 0.924 5.384 4.460 0.000 0.000 0.349 152 C C 0.657 175.625 174.990 -0.036 0.000 1.191 152 C CA -0.504 58.484 59.018 -0.050 0.000 2.114 152 C CB 0.929 28.706 27.740 0.061 0.000 2.367 152 C HN 1.020 nan 8.230 nan 0.000 0.530 153 A N 1.049 123.866 122.820 -0.006 0.000 2.479 153 A HA 0.995 5.315 4.320 0.000 0.000 0.296 153 A C -1.060 176.547 177.584 0.038 0.000 1.121 153 A CA -0.356 51.684 52.037 0.004 0.000 0.743 153 A CB 1.322 20.317 19.000 -0.008 0.000 1.323 153 A HN 1.675 nan 8.150 nan 0.000 0.415 154 A N 0.645 123.492 122.820 0.045 0.000 2.465 154 A HA 0.669 4.989 4.320 0.000 0.000 0.292 154 A C -1.362 176.271 177.584 0.082 0.000 1.041 154 A CA -0.197 51.880 52.037 0.067 0.000 0.718 154 A CB 0.646 19.678 19.000 0.052 0.000 1.266 154 A HN 0.737 nan 8.150 nan 0.000 0.403 155 I N 2.540 123.192 120.570 0.136 0.000 2.378 155 I HA 0.528 4.698 4.170 0.000 0.000 0.291 155 I C 0.372 176.541 176.117 0.086 0.000 0.992 155 I CA -0.045 61.360 61.300 0.175 0.000 1.154 155 I CB 2.380 40.588 38.000 0.347 0.000 1.315 155 I HN 0.749 nan 8.210 nan 0.000 0.448 156 T N 4.200 118.778 114.554 0.040 0.000 2.924 156 T HA 0.752 5.102 4.350 0.000 0.000 0.291 156 T C -2.812 171.864 174.700 -0.039 0.000 1.045 156 T CA -2.013 60.063 62.100 -0.040 0.000 1.015 156 T CB 2.228 71.084 68.868 -0.021 0.000 1.103 156 T HN 0.210 nan 8.240 nan 0.000 0.496 157 P HA 0.385 nan 4.420 nan 0.000 0.293 157 P C 0.701 177.924 177.300 -0.128 0.000 1.305 157 P CA -1.008 61.985 63.100 -0.179 0.000 0.874 157 P CB 1.210 32.660 31.700 -0.417 0.000 1.288 158 W N 0.891 122.169 121.300 -0.037 0.000 2.658 158 W HA -0.029 4.631 4.660 0.000 0.000 0.263 158 W C 1.020 177.518 176.519 -0.035 0.000 1.274 158 W CA 0.719 58.043 57.345 -0.036 0.000 1.343 158 W CB -1.902 27.524 29.460 -0.057 0.000 1.106 158 W HN 0.264 nan 8.180 nan 0.000 0.615 159 N N 1.275 119.689 118.700 -0.475 0.000 2.309 159 N HA -0.177 4.563 4.740 0.000 0.000 0.182 159 N C -0.109 175.300 175.510 -0.169 0.000 1.018 159 N CA 0.769 53.630 53.050 -0.316 0.000 0.876 159 N CB -1.007 37.134 38.487 -0.577 0.000 0.972 159 N HN 0.100 nan 8.380 nan 0.000 0.434 160 F N 1.080 120.962 119.950 -0.113 0.000 2.622 160 F HA 0.385 4.912 4.527 0.000 0.000 0.338 160 F C -1.736 174.048 175.800 -0.027 0.000 1.334 160 F CA -1.991 55.991 58.000 -0.030 0.000 1.179 160 F CB 1.845 40.831 39.000 -0.024 0.000 1.471 160 F HN -0.122 nan 8.300 nan 0.000 0.576 161 P HA -0.116 nan 4.420 nan 0.000 0.225 161 P C 0.988 178.339 177.300 0.085 0.000 1.148 161 P CA 1.208 64.358 63.100 0.083 0.000 0.779 161 P CB 0.500 32.252 31.700 0.086 0.000 0.780 162 A N -0.318 122.562 122.820 0.100 0.000 2.026 162 A HA 0.484 4.804 4.320 0.000 0.000 0.201 162 A C 2.290 179.904 177.584 0.049 0.000 1.318 162 A CA 0.792 52.879 52.037 0.083 0.000 0.857 162 A CB -0.889 18.162 19.000 0.084 0.000 0.939 162 A HN 0.141 nan 8.150 nan 0.000 0.476 163 A N -0.651 122.224 122.820 0.092 0.000 1.970 163 A HA 0.046 4.366 4.320 0.000 0.000 0.216 163 A C 2.071 179.521 177.584 -0.223 0.000 1.170 163 A CA 1.530 53.527 52.037 -0.067 0.000 0.645 163 A CB -0.455 18.542 19.000 -0.004 0.000 0.816 163 A HN 0.349 nan 8.150 nan 0.000 0.447 164 M N 0.031 119.565 119.600 -0.109 0.000 2.149 164 M HA -0.112 4.368 4.480 0.000 0.000 0.261 164 M C 1.995 178.214 176.300 -0.135 0.000 1.064 164 M CA 1.233 56.433 55.300 -0.167 0.000 1.102 164 M CB -1.058 31.488 32.600 -0.090 0.000 1.369 164 M HN 0.330 nan 8.290 nan 0.000 0.408 165 I N 0.076 120.616 120.570 -0.050 0.000 2.142 165 I HA -0.212 3.958 4.170 0.000 0.000 0.240 165 I C 2.584 178.707 176.117 0.009 0.000 1.078 165 I CA 1.590 62.899 61.300 0.015 0.000 1.343 165 I CB -1.800 36.255 38.000 0.092 0.000 1.046 165 I HN 0.168 nan 8.210 nan 0.000 0.405 166 A N 0.673 123.461 122.820 -0.052 0.000 1.902 166 A HA -0.208 4.112 4.320 0.000 0.000 0.217 166 A C 2.458 179.986 177.584 -0.094 0.000 1.181 166 A CA 1.406 53.407 52.037 -0.060 0.000 0.623 166 A CB -0.694 18.234 19.000 -0.121 0.000 0.818 166 A HN 0.313 nan 8.150 nan 0.000 0.443 167 R N -0.715 119.581 120.500 -0.339 0.000 2.193 167 R HA -0.091 4.249 4.340 0.000 0.000 0.229 167 R C 1.655 177.802 176.300 -0.254 0.000 1.110 167 R CA 1.586 57.388 56.100 -0.496 0.000 0.988 167 R CB -0.044 29.793 30.300 -0.770 0.000 0.871 167 R HN 0.550 nan 8.270 nan 0.000 0.458 168 K N -1.428 118.870 120.400 -0.169 0.000 2.367 168 K HA 0.105 4.425 4.320 0.000 0.000 0.198 168 K C 1.805 178.302 176.600 -0.171 0.000 1.132 168 K CA 0.194 56.410 56.287 -0.118 0.000 0.941 168 K CB 0.420 32.903 32.500 -0.027 0.000 1.052 168 K HN -0.089 nan 8.250 nan 0.000 0.507 169 V N 1.687 121.565 119.914 -0.060 0.000 2.307 169 V HA -0.162 3.958 4.120 0.000 0.000 0.245 169 V C 2.347 178.417 176.094 -0.041 0.000 1.045 169 V CA 2.312 64.602 62.300 -0.016 0.000 1.024 169 V CB -0.994 30.918 31.823 0.149 0.000 0.651 169 V HN 0.486 nan 8.190 nan 0.000 0.449 170 G N 1.589 110.418 108.800 0.049 0.000 2.672 170 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 170 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 170 G C 0.088 174.841 174.900 -0.245 0.000 1.238 170 G CA 1.546 46.691 45.100 0.075 0.000 0.791 170 G HN 0.550 nan 8.290 nan 0.000 0.606 171 P HA -0.064 nan 4.420 nan 0.000 0.216 171 P C 2.090 178.907 177.300 -0.804 0.000 1.153 171 P CA 2.202 64.657 63.100 -1.075 0.000 0.848 171 P CB -0.267 30.550 31.700 -1.472 0.000 0.787 172 A N 0.065 122.284 122.820 -1.002 0.000 1.851 172 A HA -0.185 4.135 4.320 0.000 0.000 0.216 172 A C 2.316 179.836 177.584 -0.107 0.000 1.195 172 A CA 1.809 53.497 52.037 -0.582 0.000 0.622 172 A CB -1.696 17.081 19.000 -0.371 0.000 0.831 172 A HN 0.083 nan 8.150 nan 0.000 0.444 173 L N -0.360 120.857 121.223 -0.011 0.000 2.012 173 L HA -0.151 4.189 4.340 0.000 0.000 0.210 173 L C 3.032 180.152 176.870 0.417 0.000 1.073 173 L CA 2.036 57.074 54.840 0.330 0.000 0.748 173 L CB -0.830 41.376 42.059 0.246 0.000 0.891 173 L HN 0.407 nan 8.230 nan 0.000 0.431 174 A N -0.867 122.069 122.820 0.193 0.000 1.978 174 A HA -0.155 4.165 4.320 0.000 0.000 0.220 174 A C 2.425 180.071 177.584 0.103 0.000 1.170 174 A CA 1.717 53.846 52.037 0.152 0.000 0.636 174 A CB -0.852 18.247 19.000 0.165 0.000 0.810 174 A HN 0.407 nan 8.150 nan 0.000 0.448 175 A N -1.915 120.960 122.820 0.091 0.000 2.014 175 A HA 0.370 4.690 4.320 0.000 0.000 0.218 175 A C 1.809 179.486 177.584 0.156 0.000 1.163 175 A CA 1.528 53.636 52.037 0.118 0.000 0.652 175 A CB -0.697 18.384 19.000 0.136 0.000 0.808 175 A HN 1.927 nan 8.150 nan 0.000 0.449 176 G N -2.484 106.454 108.800 0.230 0.000 2.151 176 G HA2 -0.136 3.824 3.960 0.000 0.000 0.156 176 G HA3 -0.136 3.824 3.960 0.000 0.000 0.156 176 G C -0.141 175.125 174.900 0.610 0.000 1.017 176 G CA -0.254 45.020 45.100 0.290 0.000 0.686 176 G HN 0.633 nan 8.290 nan 0.000 0.503 177 C N 1.549 121.114 119.300 0.442 0.000 2.391 177 C HA 0.836 5.296 4.460 0.000 0.000 0.339 177 C C -1.399 173.605 174.990 0.023 0.000 1.205 177 C CA -1.479 57.616 59.018 0.128 0.000 1.937 177 C CB 1.929 29.657 27.740 -0.021 0.000 2.341 177 C HN 0.433 nan 8.230 nan 0.000 0.516 178 P HA 0.559 nan 4.420 nan 0.000 0.276 178 P C -1.000 176.184 177.300 -0.194 0.000 1.261 178 P CA -0.193 62.767 63.100 -0.234 0.000 0.800 178 P CB 1.278 32.873 31.700 -0.176 0.000 1.066 179 I N -0.639 119.822 120.570 -0.181 0.000 2.775 179 I HA 0.285 4.455 4.170 0.000 0.000 0.295 179 I C -1.602 174.455 176.117 -0.100 0.000 1.287 179 I CA -1.150 60.079 61.300 -0.118 0.000 1.029 179 I CB 2.355 40.299 38.000 -0.094 0.000 1.282 179 I HN -0.071 nan 8.210 nan 0.000 0.426 180 V N 7.348 127.223 119.914 -0.066 0.000 2.350 180 V HA 0.418 4.538 4.120 0.000 0.000 0.285 180 V C -0.323 175.762 176.094 -0.015 0.000 1.014 180 V CA -0.554 61.717 62.300 -0.049 0.000 0.831 180 V CB 1.603 33.395 31.823 -0.053 0.000 1.000 180 V HN 0.411 nan 8.190 nan 0.000 0.433 181 V N 4.910 124.823 119.914 -0.002 0.000 2.472 181 V HA 0.481 4.601 4.120 0.000 0.000 0.290 181 V C 0.122 176.239 176.094 0.038 0.000 1.037 181 V CA -0.790 61.525 62.300 0.024 0.000 0.908 181 V CB 1.887 33.730 31.823 0.034 0.000 0.985 181 V HN 0.795 nan 8.190 nan 0.000 0.454 182 K N 6.784 127.214 120.400 0.051 0.000 2.473 182 K HA 0.414 4.734 4.320 0.000 0.000 0.246 182 K C -2.602 174.043 176.600 0.075 0.000 1.011 182 K CA -1.769 54.556 56.287 0.064 0.000 0.984 182 K CB 1.813 34.351 32.500 0.063 0.000 1.250 182 K HN 0.427 nan 8.250 nan 0.000 0.454 183 P HA 0.050 nan 4.420 nan 0.000 0.274 183 P C -0.655 176.698 177.300 0.089 0.000 1.260 183 P CA -0.384 62.761 63.100 0.074 0.000 0.793 183 P CB 0.645 32.388 31.700 0.071 0.000 1.048 184 A N -0.051 122.829 122.820 0.101 0.000 2.401 184 A HA 0.424 4.744 4.320 0.000 0.000 0.259 184 A C 1.714 179.366 177.584 0.112 0.000 1.103 184 A CA 0.291 52.409 52.037 0.135 0.000 0.789 184 A CB -0.732 18.405 19.000 0.228 0.000 1.035 184 A HN 0.609 nan 8.150 nan 0.000 0.491 185 E N 1.387 121.640 120.200 0.087 0.000 2.118 185 E HA -0.218 4.132 4.350 0.000 0.000 0.195 185 E C 2.038 178.709 176.600 0.117 0.000 0.992 185 E CA 2.218 58.677 56.400 0.098 0.000 0.804 185 E CB -0.958 28.653 29.700 -0.148 0.000 0.741 185 E HN 1.388 nan 8.360 nan 0.000 0.458 186 S N -0.314 115.412 115.700 0.042 0.000 2.481 186 S HA -0.006 4.464 4.470 0.000 0.000 0.231 186 S C 1.457 176.053 174.600 -0.006 0.000 0.996 186 S CA 1.210 59.411 58.200 0.002 0.000 0.942 186 S CB -0.273 62.859 63.200 -0.113 0.000 0.768 186 S HN 0.823 nan 8.310 nan 0.000 0.520 187 T N -1.366 113.200 114.554 0.020 0.000 3.658 187 T HA 0.486 4.836 4.350 0.000 0.000 0.245 187 T C -2.362 172.304 174.700 -0.056 0.000 1.292 187 T CA -1.212 60.886 62.100 -0.003 0.000 1.598 187 T CB 1.462 70.390 68.868 0.101 0.000 0.861 187 T HN 0.067 nan 8.240 nan 0.000 0.663 188 P HA 0.154 nan 4.420 nan 0.000 0.226 188 P C 1.157 178.381 177.300 -0.127 0.000 1.161 188 P CA 0.130 63.113 63.100 -0.194 0.000 0.804 188 P CB -0.091 31.427 31.700 -0.303 0.000 0.829 189 F N 1.335 121.276 119.950 -0.015 0.000 2.095 189 F HA -0.151 4.376 4.527 0.000 0.000 0.298 189 F C 2.522 178.324 175.800 0.003 0.000 1.104 189 F CA 1.414 59.384 58.000 -0.050 0.000 1.232 189 F CB -1.902 37.037 39.000 -0.102 0.000 0.987 189 F HN -0.095 nan 8.300 nan 0.000 0.475 190 S N 0.113 115.936 115.700 0.205 0.000 2.383 190 S HA -0.200 4.270 4.470 0.000 0.000 0.229 190 S C 2.356 177.048 174.600 0.153 0.000 1.030 190 S CA 1.054 59.344 58.200 0.151 0.000 1.002 190 S CB -0.828 62.442 63.200 0.117 0.000 0.829 190 S HN 0.386 nan 8.310 nan 0.000 0.467 191 A N 1.440 124.344 122.820 0.141 0.000 1.898 191 A HA 0.024 4.344 4.320 0.000 0.000 0.216 191 A C 2.129 179.823 177.584 0.183 0.000 1.181 191 A CA 1.115 53.241 52.037 0.148 0.000 0.620 191 A CB -0.674 18.393 19.000 0.112 0.000 0.819 191 A HN 0.450 nan 8.150 nan 0.000 0.442 192 L N -0.804 120.542 121.223 0.204 0.000 2.093 192 L HA -0.143 4.197 4.340 0.000 0.000 0.208 192 L C 3.071 180.135 176.870 0.324 0.000 1.085 192 L CA 0.928 55.946 54.840 0.298 0.000 0.755 192 L CB -0.526 41.721 42.059 0.313 0.000 0.904 192 L HN 0.418 nan 8.230 nan 0.000 0.435 193 A N -0.259 122.699 122.820 0.229 0.000 1.908 193 A HA -0.223 4.097 4.320 0.000 0.000 0.218 193 A C 2.283 180.052 177.584 0.309 0.000 1.181 193 A CA 1.813 53.977 52.037 0.211 0.000 0.627 193 A CB -0.446 18.636 19.000 0.137 0.000 0.818 193 A HN 0.374 nan 8.150 nan 0.000 0.445 194 M N -1.076 118.704 119.600 0.300 0.000 2.506 194 M HA 0.027 4.507 4.480 0.000 0.000 0.260 194 M C 2.320 178.863 176.300 0.406 0.000 1.104 194 M CA 0.798 56.355 55.300 0.429 0.000 1.112 194 M CB -0.120 32.738 32.600 0.431 0.000 1.401 194 M HN 0.506 nan 8.290 nan 0.000 0.473 195 A N 0.096 123.028 122.820 0.186 0.000 1.898 195 A HA -0.145 4.176 4.320 0.000 0.000 0.214 195 A C 1.879 179.343 177.584 -0.201 0.000 1.183 195 A CA 0.944 52.888 52.037 -0.155 0.000 0.622 195 A CB -0.835 17.996 19.000 -0.282 0.000 0.824 195 A HN 0.485 nan 8.150 nan 0.000 0.444 196 F N 0.873 120.844 119.950 0.036 0.000 2.154 196 F HA -0.176 4.351 4.527 0.000 0.000 0.301 196 F C 1.802 177.642 175.800 0.068 0.000 1.087 196 F CA 1.736 59.842 58.000 0.177 0.000 1.274 196 F CB -0.181 38.927 39.000 0.180 0.000 1.009 196 F HN 0.140 nan 8.300 nan 0.000 0.485 197 L N -0.607 120.695 121.223 0.132 0.000 2.179 197 L HA -0.067 4.273 4.340 0.000 0.000 0.208 197 L C 2.760 179.625 176.870 -0.009 0.000 1.096 197 L CA 0.841 55.747 54.840 0.110 0.000 0.779 197 L CB -1.165 41.109 42.059 0.359 0.000 0.922 197 L HN 0.196 nan 8.230 nan 0.000 0.443 198 A N 0.108 122.760 122.820 -0.279 0.000 1.933 198 A HA -0.266 4.054 4.320 0.000 0.000 0.218 198 A C 2.240 179.583 177.584 -0.402 0.000 1.175 198 A CA 1.884 53.464 52.037 -0.763 0.000 0.628 198 A CB -0.470 17.883 19.000 -1.077 0.000 0.814 198 A HN 0.468 nan 8.150 nan 0.000 0.444 199 E N -0.329 119.679 120.200 -0.319 0.000 2.038 199 E HA -0.239 4.111 4.350 0.000 0.000 0.195 199 E C 2.264 178.769 176.600 -0.159 0.000 1.000 199 E CA 1.339 57.621 56.400 -0.196 0.000 0.803 199 E CB -0.146 29.460 29.700 -0.156 0.000 0.750 199 E HN 0.566 nan 8.360 nan 0.000 0.448 200 R N -0.382 119.993 120.500 -0.208 0.000 2.159 200 R HA -0.121 4.219 4.340 0.000 0.000 0.237 200 R C 2.233 178.502 176.300 -0.051 0.000 1.131 200 R CA 0.984 56.998 56.100 -0.143 0.000 0.982 200 R CB -0.197 29.997 30.300 -0.177 0.000 0.868 200 R HN 0.204 nan 8.270 nan 0.000 0.453 201 A N -0.351 122.448 122.820 -0.036 0.000 2.014 201 A HA 0.080 4.400 4.320 0.000 0.000 0.218 201 A C 1.412 179.009 177.584 0.022 0.000 1.163 201 A CA 1.232 53.289 52.037 0.033 0.000 0.652 201 A CB -0.107 18.939 19.000 0.077 0.000 0.808 201 A HN 0.461 nan 8.150 nan 0.000 0.449 202 G N -1.636 107.150 108.800 -0.024 0.000 2.141 202 G HA2 -0.116 3.844 3.960 0.000 0.000 0.195 202 G HA3 -0.116 3.844 3.960 0.000 0.000 0.195 202 G C -0.014 174.889 174.900 0.005 0.000 1.012 202 G CA -0.129 44.973 45.100 0.003 0.000 0.696 202 G HN 0.764 nan 8.290 nan 0.000 0.508 203 V N 1.860 121.721 119.914 -0.088 0.000 2.434 203 V HA 0.227 4.347 4.120 0.000 0.000 0.281 203 V C -0.996 175.018 176.094 -0.134 0.000 1.005 203 V CA -0.579 61.615 62.300 -0.177 0.000 1.089 203 V CB 0.569 32.172 31.823 -0.368 0.000 0.978 203 V HN 0.271 nan 8.190 nan 0.000 0.474 204 P HA 0.185 nan 4.420 nan 0.000 0.265 204 P C 0.131 177.370 177.300 -0.100 0.000 1.193 204 P CA 0.126 63.203 63.100 -0.037 0.000 0.765 204 P CB 0.260 31.993 31.700 0.054 0.000 0.823 205 K N 2.092 122.448 120.400 -0.072 0.000 2.511 205 K HA 0.349 4.669 4.320 0.000 0.000 0.280 205 K C 1.432 177.945 176.600 -0.145 0.000 1.008 205 K CA 0.397 56.611 56.287 -0.121 0.000 1.050 205 K CB -1.257 31.177 32.500 -0.110 0.000 0.889 205 K HN 0.933 nan 8.250 nan 0.000 0.484 206 G N 0.104 108.781 108.800 -0.205 0.000 2.279 206 G HA2 -0.274 3.686 3.960 0.000 0.000 0.223 206 G HA3 -0.274 3.686 3.960 0.000 0.000 0.223 206 G C 1.421 176.205 174.900 -0.193 0.000 1.015 206 G CA 0.526 45.517 45.100 -0.181 0.000 0.621 206 G HN 1.129 nan 8.290 nan 0.000 0.506 207 V N 0.372 120.132 119.914 -0.255 0.000 2.626 207 V HA 0.276 4.396 4.120 0.000 0.000 0.252 207 V C 1.062 176.942 176.094 -0.357 0.000 1.067 207 V CA 2.051 64.111 62.300 -0.400 0.000 1.081 207 V CB 0.036 31.410 31.823 -0.748 0.000 0.686 207 V HN 0.621 nan 8.190 nan 0.000 0.468 208 L N -0.716 120.349 121.223 -0.264 0.000 2.409 208 L HA 0.648 4.988 4.340 0.000 0.000 0.272 208 L C -0.612 176.206 176.870 -0.087 0.000 0.980 208 L CA 0.286 55.020 54.840 -0.176 0.000 0.826 208 L CB 2.182 44.119 42.059 -0.204 0.000 1.268 208 L HN -0.072 nan 8.230 nan 0.000 0.407 209 S N 3.050 118.701 115.700 -0.082 0.000 2.542 209 S HA 0.805 5.275 4.470 0.000 0.000 0.293 209 S C -1.203 173.398 174.600 0.003 0.000 1.089 209 S CA -0.583 57.575 58.200 -0.071 0.000 0.961 209 S CB 2.173 65.286 63.200 -0.146 0.000 1.062 209 S HN 0.414 nan 8.310 nan 0.000 0.483 210 V N 3.151 123.093 119.914 0.047 0.000 2.378 210 V HA 0.466 4.586 4.120 0.000 0.000 0.288 210 V C -0.504 175.616 176.094 0.044 0.000 1.016 210 V CA -0.575 61.758 62.300 0.056 0.000 0.840 210 V CB 1.541 33.420 31.823 0.094 0.000 0.994 210 V HN 0.696 nan 8.190 nan 0.000 0.431 211 V N 6.671 126.607 119.914 0.038 0.000 2.472 211 V HA 0.586 4.706 4.120 0.000 0.000 0.290 211 V C -0.269 175.868 176.094 0.071 0.000 1.037 211 V CA -0.499 61.825 62.300 0.041 0.000 0.908 211 V CB 1.800 33.637 31.823 0.023 0.000 0.985 211 V HN 0.688 nan 8.190 nan 0.000 0.454 212 I N 3.027 123.651 120.570 0.090 0.000 2.545 212 I HA 0.905 5.075 4.170 0.000 0.000 0.292 212 I C 0.528 176.761 176.117 0.193 0.000 1.040 212 I CA 0.243 61.625 61.300 0.137 0.000 1.068 212 I CB 2.035 40.096 38.000 0.102 0.000 1.251 212 I HN 0.924 nan 8.210 nan 0.000 0.424 213 G N 3.806 112.769 108.800 0.272 0.000 2.334 213 G HA2 -0.008 3.952 3.960 0.000 0.000 0.249 213 G HA3 -0.008 3.952 3.960 0.000 0.000 0.249 213 G C -1.545 173.390 174.900 0.058 0.000 1.327 213 G CA -0.919 44.340 45.100 0.265 0.000 0.979 213 G HN 0.535 nan 8.290 nan 0.000 0.471 214 D N 1.434 121.845 120.400 0.018 0.000 2.451 214 D HA 0.309 4.949 4.640 0.000 0.000 0.254 214 D C -0.815 175.469 176.300 -0.027 0.000 1.204 214 D CA -1.159 52.817 54.000 -0.040 0.000 0.896 214 D CB 1.404 42.193 40.800 -0.018 0.000 1.136 214 D HN -0.008 nan 8.370 nan 0.000 0.499 215 P HA -0.135 nan 4.420 nan 0.000 0.216 215 P C 1.244 178.531 177.300 -0.022 0.000 1.153 215 P CA 2.173 65.260 63.100 -0.021 0.000 0.848 215 P CB 0.124 31.808 31.700 -0.027 0.000 0.787 216 K N 0.124 120.505 120.400 -0.031 0.000 2.001 216 K HA -0.005 4.315 4.320 0.000 0.000 0.208 216 K C 2.295 178.879 176.600 -0.026 0.000 1.048 216 K CA 1.816 58.083 56.287 -0.033 0.000 0.932 216 K CB -1.814 30.667 32.500 -0.032 0.000 0.715 216 K HN 0.148 nan 8.250 nan 0.000 0.437 217 A N 0.727 123.536 122.820 -0.019 0.000 1.902 217 A HA 0.009 4.329 4.320 0.000 0.000 0.217 217 A C 2.480 180.059 177.584 -0.009 0.000 1.181 217 A CA 1.667 53.697 52.037 -0.012 0.000 0.623 217 A CB -0.373 18.625 19.000 -0.004 0.000 0.818 217 A HN 0.497 nan 8.150 nan 0.000 0.443 218 I N -0.442 120.127 120.570 -0.003 0.000 2.252 218 I HA -0.151 4.019 4.170 0.000 0.000 0.245 218 I C 2.715 178.827 176.117 -0.008 0.000 1.102 218 I CA 1.059 62.360 61.300 0.002 0.000 1.385 218 I CB -0.557 37.453 38.000 0.017 0.000 1.064 218 I HN 0.382 nan 8.210 nan 0.000 0.414 219 G N 0.167 108.958 108.800 -0.016 0.000 2.446 219 G HA2 -0.249 3.711 3.960 0.000 0.000 0.217 219 G HA3 -0.249 3.711 3.960 0.000 0.000 0.217 219 G C 1.657 176.533 174.900 -0.041 0.000 1.168 219 G CA 1.533 46.612 45.100 -0.035 0.000 0.771 219 G HN 0.291 nan 8.290 nan 0.000 0.551 220 T N 0.625 115.157 114.554 -0.036 0.000 2.720 220 T HA -0.107 4.243 4.350 0.000 0.000 0.268 220 T C 2.207 176.891 174.700 -0.027 0.000 1.037 220 T CA 1.680 63.760 62.100 -0.033 0.000 1.144 220 T CB -0.142 68.710 68.868 -0.027 0.000 0.864 220 T HN 0.391 nan 8.240 nan 0.000 0.444 221 E N 1.107 121.294 120.200 -0.021 0.000 2.072 221 E HA -0.028 4.322 4.350 0.000 0.000 0.191 221 E C 1.993 178.580 176.600 -0.021 0.000 0.985 221 E CA 1.018 57.407 56.400 -0.018 0.000 0.801 221 E CB -0.551 29.140 29.700 -0.014 0.000 0.750 221 E HN 0.526 nan 8.360 nan 0.000 0.452 222 I N 0.475 121.032 120.570 -0.022 0.000 2.361 222 I HA -0.247 3.923 4.170 0.000 0.000 0.251 222 I C 2.145 178.244 176.117 -0.029 0.000 1.133 222 I CA 1.742 63.027 61.300 -0.024 0.000 1.413 222 I CB -0.392 37.597 38.000 -0.017 0.000 1.073 222 I HN 0.291 nan 8.210 nan 0.000 0.424 223 T N -3.193 111.340 114.554 -0.034 0.000 3.054 223 T HA 0.004 4.354 4.350 0.000 0.000 0.259 223 T C 1.723 176.404 174.700 -0.031 0.000 1.092 223 T CA 0.749 62.826 62.100 -0.038 0.000 1.121 223 T CB -0.200 68.638 68.868 -0.051 0.000 0.912 223 T HN 0.370 nan 8.240 nan 0.000 0.489 224 S N 0.596 116.280 115.700 -0.027 0.000 2.517 224 S HA 0.171 4.641 4.470 0.000 0.000 0.214 224 S C 0.805 175.394 174.600 -0.018 0.000 0.991 224 S CA -0.562 57.625 58.200 -0.022 0.000 0.906 224 S CB -0.533 62.656 63.200 -0.019 0.000 0.789 224 S HN 0.376 nan 8.310 nan 0.000 0.513 225 N N 3.706 122.394 118.700 -0.020 0.000 2.420 225 N HA 0.202 4.942 4.740 0.000 0.000 0.262 225 N C -1.797 173.702 175.510 -0.017 0.000 1.144 225 N CA -1.509 51.531 53.050 -0.018 0.000 0.952 225 N CB 1.418 39.892 38.487 -0.020 0.000 1.081 225 N HN 0.110 nan 8.380 nan 0.000 0.480 226 P HA -0.089 nan 4.420 nan 0.000 0.225 226 P C 1.359 178.654 177.300 -0.008 0.000 1.148 226 P CA 0.942 64.037 63.100 -0.007 0.000 0.779 226 P CB 0.429 32.129 31.700 -0.000 0.000 0.780 227 I N -0.978 119.586 120.570 -0.011 0.000 2.353 227 I HA -0.082 4.088 4.170 0.000 0.000 0.248 227 I C 0.865 176.956 176.117 -0.044 0.000 1.119 227 I CA 0.508 61.800 61.300 -0.014 0.000 1.417 227 I CB -0.378 37.616 38.000 -0.010 0.000 1.078 227 I HN -0.284 nan 8.210 nan 0.000 0.421 228 V N 3.020 122.905 119.914 -0.047 0.000 2.421 228 V HA 0.021 4.141 4.120 0.000 0.000 0.271 228 V C 1.280 177.338 176.094 -0.061 0.000 1.031 228 V CA 0.487 62.748 62.300 -0.064 0.000 1.032 228 V CB 0.366 32.159 31.823 -0.050 0.000 1.009 228 V HN 0.318 nan 8.190 nan 0.000 0.477 229 R N 3.008 123.458 120.500 -0.084 0.000 2.206 229 R HA 0.174 4.514 4.340 0.000 0.000 0.198 229 R C 0.690 176.949 176.300 -0.070 0.000 0.986 229 R CA 0.174 56.232 56.100 -0.070 0.000 1.029 229 R CB 0.485 30.735 30.300 -0.082 0.000 0.966 229 R HN 0.604 nan 8.270 nan 0.000 0.487 230 K N 0.958 121.310 120.400 -0.081 0.000 2.427 230 K HA 0.322 4.642 4.320 0.000 0.000 0.252 230 K C -1.801 174.761 176.600 -0.063 0.000 0.931 230 K CA -0.740 55.495 56.287 -0.088 0.000 0.793 230 K CB 1.701 34.123 32.500 -0.131 0.000 1.211 230 K HN -0.136 nan 8.250 nan 0.000 0.426 231 L N 2.181 123.371 121.223 -0.054 0.000 2.362 231 L HA 0.607 4.947 4.340 0.000 0.000 0.271 231 L C -1.380 175.489 176.870 -0.002 0.000 1.002 231 L CA 0.019 54.850 54.840 -0.015 0.000 0.818 231 L CB 2.294 44.350 42.059 -0.004 0.000 1.298 231 L HN 0.663 nan 8.230 nan 0.000 0.420 232 S N 4.151 119.878 115.700 0.044 0.000 2.659 232 S HA 0.628 5.098 4.470 0.000 0.000 0.312 232 S C -1.311 173.372 174.600 0.139 0.000 1.114 232 S CA -0.414 57.824 58.200 0.063 0.000 1.063 232 S CB 0.211 63.444 63.200 0.056 0.000 0.996 232 S HN 0.492 nan 8.310 nan 0.000 0.478 233 F N 3.870 123.814 119.950 -0.011 0.000 2.508 233 F HA 0.734 5.261 4.527 0.000 0.000 0.325 233 F C -0.465 175.335 175.800 -0.001 0.000 1.090 233 F CA -0.252 57.745 58.000 -0.006 0.000 0.945 233 F CB 2.110 41.107 39.000 -0.006 0.000 1.156 233 F HN 0.397 nan 8.300 nan 0.000 0.463 234 T N 4.473 118.384 114.554 -1.071 0.000 2.949 234 T HA 0.737 5.087 4.350 0.000 0.000 0.300 234 T C -0.211 173.761 174.700 -1.214 0.000 0.988 234 T CA -0.261 61.290 62.100 -0.915 0.000 0.993 234 T CB 0.990 69.617 68.868 -0.402 0.000 0.984 234 T HN 1.128 nan 8.240 nan 0.000 0.442 235 G N 2.008 110.184 108.800 -1.039 0.000 2.441 235 G HA2 0.477 4.437 3.960 0.000 0.000 0.225 235 G HA3 0.477 4.437 3.960 0.000 0.000 0.225 235 G C -0.418 174.448 174.900 -0.055 0.000 1.200 235 G CA -0.149 44.681 45.100 -0.451 0.000 0.947 235 G HN 0.934 nan 8.290 nan 0.000 0.484 236 S N -0.536 115.274 115.700 0.184 0.000 2.589 236 S HA 0.415 4.885 4.470 0.000 0.000 0.265 236 S C 1.371 176.131 174.600 0.268 0.000 1.342 236 S CA 1.183 59.498 58.200 0.191 0.000 1.005 236 S CB 1.159 64.459 63.200 0.167 0.000 0.909 236 S HN 0.942 nan 8.310 nan 0.000 0.555 237 T N 1.587 116.260 114.554 0.199 0.000 2.857 237 T HA 0.053 4.403 4.350 0.000 0.000 0.266 237 T C 2.188 176.992 174.700 0.175 0.000 1.048 237 T CA 0.976 63.210 62.100 0.224 0.000 1.139 237 T CB -0.824 68.233 68.868 0.315 0.000 0.874 237 T HN 0.822 nan 8.240 nan 0.000 0.455 238 A N 1.272 124.180 122.820 0.147 0.000 1.908 238 A HA -0.050 4.270 4.320 0.000 0.000 0.218 238 A C 2.563 180.170 177.584 0.037 0.000 1.181 238 A CA 1.445 53.536 52.037 0.090 0.000 0.627 238 A CB -1.007 18.044 19.000 0.084 0.000 0.818 238 A HN 0.365 nan 8.150 nan 0.000 0.445 239 V N -0.348 119.588 119.914 0.037 0.000 2.346 239 V HA -0.080 4.040 4.120 0.000 0.000 0.244 239 V C 2.845 178.761 176.094 -0.297 0.000 1.037 239 V CA 1.627 63.858 62.300 -0.115 0.000 1.029 239 V CB -1.497 30.272 31.823 -0.090 0.000 0.663 239 V HN 0.592 nan 8.190 nan 0.000 0.454 240 G N 0.113 108.826 108.800 -0.146 0.000 2.476 240 G HA2 -0.310 3.650 3.960 0.000 0.000 0.218 240 G HA3 -0.310 3.650 3.960 0.000 0.000 0.218 240 G C 1.735 176.595 174.900 -0.066 0.000 1.164 240 G CA 1.114 46.162 45.100 -0.086 0.000 0.768 240 G HN 0.415 nan 8.290 nan 0.000 0.560 241 R N -0.313 120.184 120.500 -0.005 0.000 2.096 241 R HA 0.003 4.343 4.340 0.000 0.000 0.240 241 R C 2.688 178.959 176.300 -0.048 0.000 1.139 241 R CA 1.301 57.396 56.100 -0.008 0.000 0.952 241 R CB -0.458 29.852 30.300 0.017 0.000 0.854 241 R HN 0.346 nan 8.270 nan 0.000 0.436 242 L N 0.338 121.515 121.223 -0.077 0.000 2.093 242 L HA -0.160 4.180 4.340 0.000 0.000 0.208 242 L C 2.285 179.090 176.870 -0.108 0.000 1.085 242 L CA 1.082 55.872 54.840 -0.084 0.000 0.755 242 L CB -0.362 41.646 42.059 -0.084 0.000 0.904 242 L HN 0.242 nan 8.230 nan 0.000 0.435 243 L N -0.964 120.156 121.223 -0.172 0.000 2.141 243 L HA -0.202 4.138 4.340 0.000 0.000 0.209 243 L C 2.591 179.399 176.870 -0.105 0.000 1.094 243 L CA 0.971 55.707 54.840 -0.172 0.000 0.763 243 L CB -0.301 41.582 42.059 -0.293 0.000 0.908 243 L HN 0.332 nan 8.230 nan 0.000 0.437 244 M N -0.156 119.394 119.600 -0.083 0.000 2.132 244 M HA -0.160 4.320 4.480 0.000 0.000 0.263 244 M C 2.355 178.631 176.300 -0.040 0.000 1.065 244 M CA 1.881 57.153 55.300 -0.046 0.000 1.122 244 M CB -0.060 32.525 32.600 -0.026 0.000 1.365 244 M HN 0.217 nan 8.290 nan 0.000 0.411 245 A N -0.069 122.726 122.820 -0.042 0.000 1.933 245 A HA -0.213 4.107 4.320 0.000 0.000 0.218 245 A C 1.928 179.491 177.584 -0.036 0.000 1.175 245 A CA 1.796 53.812 52.037 -0.034 0.000 0.628 245 A CB -0.706 18.274 19.000 -0.032 0.000 0.814 245 A HN 0.713 nan 8.150 nan 0.000 0.444 246 Q N -0.341 119.431 119.800 -0.047 0.000 2.123 246 Q HA -0.054 4.286 4.340 0.000 0.000 0.199 246 Q C 2.083 178.060 176.000 -0.040 0.000 0.966 246 Q CA 1.482 57.258 55.803 -0.045 0.000 0.845 246 Q CB -0.054 28.649 28.738 -0.057 0.000 0.907 246 Q HN 0.635 nan 8.270 nan 0.000 0.439 247 S N 0.682 116.356 115.700 -0.042 0.000 2.555 247 S HA 0.003 4.473 4.470 0.000 0.000 0.230 247 S C 1.809 176.392 174.600 -0.027 0.000 0.978 247 S CA 0.526 58.705 58.200 -0.035 0.000 0.934 247 S CB 0.015 63.193 63.200 -0.037 0.000 0.766 247 S HN 0.413 nan 8.310 nan 0.000 0.533 248 A N 2.755 125.559 122.820 -0.026 0.000 1.898 248 A HA 0.024 4.344 4.320 0.000 0.000 0.216 248 A C -0.172 177.402 177.584 -0.016 0.000 1.181 248 A CA 1.044 53.069 52.037 -0.020 0.000 0.620 248 A CB -1.746 17.242 19.000 -0.019 0.000 0.819 248 A HN 0.374 nan 8.150 nan 0.000 0.442 249 P HA -0.066 nan 4.420 nan 0.000 0.228 249 P C 0.908 178.202 177.300 -0.010 0.000 1.151 249 P CA 1.804 64.897 63.100 -0.012 0.000 0.770 249 P CB -0.084 31.608 31.700 -0.013 0.000 0.786 250 T N -6.360 108.187 114.554 -0.013 0.000 3.084 250 T HA 0.191 4.541 4.350 0.000 0.000 0.270 250 T C 0.406 175.100 174.700 -0.011 0.000 1.008 250 T CA -0.396 61.698 62.100 -0.011 0.000 0.900 250 T CB -0.614 68.246 68.868 -0.013 0.000 1.084 250 T HN -0.208 nan 8.240 nan 0.000 0.538 251 V N 2.041 121.947 119.914 -0.013 0.000 5.953 251 V HA -0.212 3.908 4.120 0.000 0.000 0.213 251 V C 0.071 176.155 176.094 -0.017 0.000 0.673 251 V CA 0.782 63.074 62.300 -0.013 0.000 0.618 251 V CB -1.735 30.084 31.823 -0.007 0.000 0.533 251 V HN 0.641 nan 8.190 nan 0.000 0.447 252 K N 2.028 122.414 120.400 -0.023 0.000 2.118 252 K HA 0.517 4.837 4.320 0.000 0.000 0.267 252 K C 0.156 176.735 176.600 -0.035 0.000 0.991 252 K CA -0.977 55.291 56.287 -0.031 0.000 0.916 252 K CB 1.357 33.836 32.500 -0.035 0.000 1.041 252 K HN 0.396 nan 8.250 nan 0.000 0.455 253 K N 2.628 123.000 120.400 -0.046 0.000 2.379 253 K HA 0.123 4.443 4.320 0.000 0.000 0.284 253 K C -1.029 175.526 176.600 -0.075 0.000 1.044 253 K CA -0.076 56.175 56.287 -0.060 0.000 0.974 253 K CB 0.282 32.738 32.500 -0.075 0.000 0.962 253 K HN 0.259 nan 8.250 nan 0.000 0.474 254 L N 3.329 124.514 121.223 -0.063 0.000 2.354 254 L HA 0.532 4.872 4.340 0.000 0.000 0.269 254 L C -0.696 176.144 176.870 -0.050 0.000 1.005 254 L CA -0.262 54.551 54.840 -0.046 0.000 0.819 254 L CB 2.325 44.374 42.059 -0.017 0.000 1.311 254 L HN 0.780 nan 8.230 nan 0.000 0.423 255 T N 3.875 118.412 114.554 -0.027 0.000 2.906 255 T HA 0.608 4.958 4.350 0.000 0.000 0.302 255 T C -0.621 174.113 174.700 0.057 0.000 1.002 255 T CA -0.316 61.779 62.100 -0.009 0.000 0.988 255 T CB 0.593 69.432 68.868 -0.047 0.000 0.972 255 T HN 0.253 nan 8.240 nan 0.000 0.447 256 L N 3.274 124.539 121.223 0.070 0.000 2.319 256 L HA 0.502 4.842 4.340 0.000 0.000 0.281 256 L C 0.183 177.094 176.870 0.069 0.000 1.005 256 L CA -0.787 54.131 54.840 0.130 0.000 0.828 256 L CB 1.370 43.520 42.059 0.152 0.000 1.227 256 L HN 0.475 nan 8.230 nan 0.000 0.415 257 E N 5.690 125.898 120.200 0.012 0.000 2.103 257 E HA 0.407 4.757 4.350 0.000 0.000 0.254 257 E C -0.320 176.253 176.600 -0.045 0.000 0.940 257 E CA -0.191 56.205 56.400 -0.007 0.000 0.771 257 E CB 1.757 31.454 29.700 -0.006 0.000 1.153 257 E HN 0.546 nan 8.360 nan 0.000 0.428 258 L N 0.056 121.294 121.223 0.026 0.000 2.902 258 L HA 0.518 4.858 4.340 0.000 0.000 0.229 258 L C 1.207 178.079 176.870 0.004 0.000 1.324 258 L CA -1.113 53.761 54.840 0.057 0.000 1.230 258 L CB 0.011 42.158 42.059 0.147 0.000 2.134 258 L HN 0.374 nan 8.230 nan 0.000 0.567 259 G N -1.075 107.697 108.800 -0.046 0.000 2.544 259 G HA2 0.431 4.391 3.960 0.000 0.000 0.242 259 G HA3 0.431 4.391 3.960 0.000 0.000 0.242 259 G C -0.152 174.522 174.900 -0.376 0.000 1.247 259 G CA 0.231 45.153 45.100 -0.298 0.000 0.840 259 G HN 0.694 nan 8.290 nan 0.000 0.578 260 G N -0.730 107.859 108.800 -0.353 0.000 2.971 260 G HA2 0.462 4.422 3.960 0.000 0.000 0.235 260 G HA3 0.462 4.422 3.960 0.000 0.000 0.235 260 G C -0.240 174.519 174.900 -0.235 0.000 1.351 260 G CA -0.510 44.476 45.100 -0.191 0.000 1.039 260 G HN 0.875 nan 8.290 nan 0.000 0.563 261 N N -1.646 117.064 118.700 0.018 0.000 2.776 261 N HA 0.252 4.992 4.740 0.000 0.000 0.215 261 N C -0.187 175.392 175.510 0.114 0.000 1.347 261 N CA 0.157 53.252 53.050 0.074 0.000 1.323 261 N CB -0.038 38.599 38.487 0.249 0.000 1.547 261 N HN 0.704 nan 8.380 nan 0.000 0.582 262 A N 1.921 124.761 122.820 0.034 0.000 2.561 262 A HA 0.324 4.644 4.320 0.000 0.000 0.251 262 A C -2.198 175.374 177.584 -0.021 0.000 1.062 262 A CA -0.213 51.814 52.037 -0.017 0.000 0.761 262 A CB -0.266 18.757 19.000 0.037 0.000 0.986 262 A HN 0.377 nan 8.150 nan 0.000 0.510 263 P HA 0.385 nan 4.420 nan 0.000 0.290 263 P C -1.055 176.272 177.300 0.045 0.000 1.276 263 P CA -0.201 62.906 63.100 0.012 0.000 0.808 263 P CB 0.890 32.544 31.700 -0.078 0.000 0.966 264 F N 4.136 124.044 119.950 -0.071 0.000 2.402 264 F HA 0.519 5.046 4.527 0.000 0.000 0.355 264 F C -0.587 175.293 175.800 0.133 0.000 1.123 264 F CA -0.946 57.047 58.000 -0.012 0.000 1.021 264 F CB 0.812 39.568 39.000 -0.407 0.000 1.160 264 F HN 0.112 nan 8.300 nan 0.000 0.451 265 I N 7.142 127.708 120.570 -0.006 0.000 2.330 265 I HA 0.297 4.467 4.170 0.000 0.000 0.289 265 I C -0.976 175.238 176.117 0.162 0.000 1.001 265 I CA -0.773 60.586 61.300 0.097 0.000 1.193 265 I CB 1.589 39.551 38.000 -0.064 0.000 1.345 265 I HN 0.250 nan 8.210 nan 0.000 0.461 266 V N 7.112 127.170 119.914 0.239 0.000 2.294 266 V HA 0.325 4.445 4.120 0.000 0.000 0.272 266 V C -0.109 176.132 176.094 0.246 0.000 1.027 266 V CA -0.512 61.882 62.300 0.155 0.000 0.823 266 V CB 0.384 32.053 31.823 -0.256 0.000 1.030 266 V HN 0.374 nan 8.190 nan 0.000 0.457 267 F N 2.304 122.411 119.950 0.263 0.000 2.370 267 F HA 0.302 4.829 4.527 0.000 0.000 0.324 267 F C 1.651 177.495 175.800 0.074 0.000 1.116 267 F CA -0.077 58.089 58.000 0.277 0.000 1.123 267 F CB 1.056 40.188 39.000 0.219 0.000 1.238 267 F HN 0.566 nan 8.300 nan 0.000 0.536 268 D N 0.999 121.517 120.400 0.196 0.000 2.600 268 D HA -0.302 4.338 4.640 0.000 0.000 0.194 268 D C 1.268 177.558 176.300 -0.017 0.000 1.040 268 D CA 2.379 56.235 54.000 -0.240 0.000 0.871 268 D CB -0.190 40.388 40.800 -0.369 0.000 0.973 268 D HN 0.640 nan 8.370 nan 0.000 0.470 269 D N -0.887 119.550 120.400 0.062 0.000 2.427 269 D HA 0.226 4.866 4.640 0.000 0.000 0.224 269 D C -0.253 176.110 176.300 0.105 0.000 1.157 269 D CA -0.179 53.855 54.000 0.057 0.000 0.828 269 D CB -0.394 40.420 40.800 0.023 0.000 0.974 269 D HN 0.224 nan 8.370 nan 0.000 0.498 270 A N 0.698 123.615 122.820 0.161 0.000 2.363 270 A HA 0.181 4.501 4.320 0.000 0.000 0.270 270 A C 0.244 177.938 177.584 0.183 0.000 1.121 270 A CA -0.514 51.648 52.037 0.208 0.000 0.800 270 A CB 0.446 19.618 19.000 0.287 0.000 1.052 270 A HN 0.149 nan 8.150 nan 0.000 0.493 271 D N 2.524 123.041 120.400 0.194 0.000 2.479 271 D HA -0.047 4.593 4.640 0.000 0.000 0.257 271 D C 0.921 177.338 176.300 0.195 0.000 1.230 271 D CA -0.135 53.971 54.000 0.176 0.000 0.912 271 D CB 0.370 41.279 40.800 0.181 0.000 1.130 271 D HN 0.292 nan 8.370 nan 0.000 0.515 272 L N 4.006 125.330 121.223 0.168 0.000 2.093 272 L HA -0.112 4.228 4.340 0.000 0.000 0.208 272 L C 1.825 178.805 176.870 0.183 0.000 1.085 272 L CA 1.331 56.298 54.840 0.212 0.000 0.755 272 L CB -0.783 41.389 42.059 0.189 0.000 0.904 272 L HN 0.523 nan 8.230 nan 0.000 0.435 273 D N -0.219 120.252 120.400 0.117 0.000 2.183 273 D HA -0.093 4.547 4.640 0.000 0.000 0.203 273 D C 2.099 178.453 176.300 0.090 0.000 0.969 273 D CA 1.291 55.334 54.000 0.072 0.000 0.842 273 D CB 0.433 41.267 40.800 0.056 0.000 0.957 273 D HN 0.270 nan 8.370 nan 0.000 0.484 274 A N 1.266 124.172 122.820 0.143 0.000 1.968 274 A HA 0.071 4.391 4.320 0.000 0.000 0.217 274 A C 2.311 179.959 177.584 0.108 0.000 1.169 274 A CA 1.520 53.682 52.037 0.208 0.000 0.638 274 A CB -0.340 18.854 19.000 0.323 0.000 0.812 274 A HN 0.218 nan 8.150 nan 0.000 0.446 275 A N -0.650 122.145 122.820 -0.042 0.000 2.014 275 A HA 0.101 4.421 4.320 0.000 0.000 0.218 275 A C 2.128 179.773 177.584 0.101 0.000 1.163 275 A CA 1.519 53.366 52.037 -0.316 0.000 0.652 275 A CB -0.593 18.381 19.000 -0.042 0.000 0.808 275 A HN 0.316 nan 8.150 nan 0.000 0.449 276 V N -0.029 119.954 119.914 0.114 0.000 2.453 276 V HA -0.141 3.979 4.120 0.000 0.000 0.247 276 V C 3.084 179.140 176.094 -0.062 0.000 1.048 276 V CA 2.357 64.605 62.300 -0.086 0.000 1.049 276 V CB -0.961 30.738 31.823 -0.207 0.000 0.672 276 V HN 0.769 nan 8.190 nan 0.000 0.457 277 E N 0.401 120.606 120.200 0.008 0.000 2.106 277 E HA -0.147 4.203 4.350 0.000 0.000 0.192 277 E C 2.282 178.933 176.600 0.085 0.000 0.984 277 E CA 1.432 57.859 56.400 0.045 0.000 0.806 277 E CB -1.181 28.568 29.700 0.081 0.000 0.750 277 E HN 0.650 nan 8.360 nan 0.000 0.458 278 G N 0.165 109.047 108.800 0.136 0.000 2.421 278 G HA2 0.111 4.071 3.960 0.000 0.000 0.217 278 G HA3 0.111 4.071 3.960 0.000 0.000 0.217 278 G C 1.988 176.924 174.900 0.060 0.000 1.143 278 G CA 1.518 46.766 45.100 0.248 0.000 0.784 278 G HN 0.818 nan 8.290 nan 0.000 0.541 279 A N 1.222 123.942 122.820 -0.168 0.000 1.877 279 A HA 0.023 4.343 4.320 0.000 0.000 0.216 279 A C 2.337 179.903 177.584 -0.029 0.000 1.186 279 A CA 1.284 53.132 52.037 -0.314 0.000 0.620 279 A CB -0.324 18.503 19.000 -0.288 0.000 0.822 279 A HN 0.247 nan 8.150 nan 0.000 0.443 280 I N 0.115 120.705 120.570 0.033 0.000 2.091 280 I HA -0.298 3.872 4.170 0.000 0.000 0.239 280 I C 2.972 179.185 176.117 0.161 0.000 1.061 280 I CA 1.766 63.172 61.300 0.177 0.000 1.317 280 I CB -1.633 36.407 38.000 0.067 0.000 1.031 280 I HN 0.378 nan 8.210 nan 0.000 0.401 281 A N 0.705 123.574 122.820 0.082 0.000 1.933 281 A HA -0.178 4.142 4.320 0.000 0.000 0.218 281 A C 2.461 180.062 177.584 0.027 0.000 1.175 281 A CA 2.283 54.362 52.037 0.070 0.000 0.628 281 A CB -0.756 18.288 19.000 0.072 0.000 0.814 281 A HN 0.584 nan 8.150 nan 0.000 0.444 282 S N -1.161 114.508 115.700 -0.052 0.000 2.470 282 S HA 0.012 4.482 4.470 0.000 0.000 0.225 282 S C 1.662 176.182 174.600 -0.133 0.000 1.006 282 S CA 1.322 59.426 58.200 -0.159 0.000 0.934 282 S CB 0.020 62.934 63.200 -0.477 0.000 0.778 282 S HN 0.439 nan 8.310 nan 0.000 0.517 283 K N 0.149 120.464 120.400 -0.142 0.000 2.313 283 K HA 0.306 4.626 4.320 0.000 0.000 0.197 283 K C 0.315 176.643 176.600 -0.454 0.000 1.061 283 K CA 0.486 56.583 56.287 -0.317 0.000 0.980 283 K CB -0.035 32.233 32.500 -0.386 0.000 0.888 283 K HN 0.444 nan 8.250 nan 0.000 0.502 284 Y N 0.236 120.564 120.300 0.045 0.000 2.584 284 Y HA 0.354 4.904 4.550 0.000 0.000 0.254 284 Y C -0.156 175.774 175.900 0.050 0.000 1.177 284 Y CA -0.608 57.520 58.100 0.047 0.000 1.216 284 Y CB 0.417 38.894 38.460 0.028 0.000 1.172 284 Y HN -0.164 nan 8.280 nan 0.000 0.529 285 R N 1.849 122.433 120.500 0.140 0.000 2.267 285 R HA 0.148 4.488 4.340 0.000 0.000 0.319 285 R C 0.296 176.665 176.300 0.114 0.000 1.067 285 R CA 0.188 56.361 56.100 0.121 0.000 0.936 285 R CB 0.022 30.391 30.300 0.114 0.000 1.006 285 R HN 0.244 nan 8.270 nan 0.000 0.452 286 N N 3.230 121.984 118.700 0.089 0.000 2.776 286 N HA -0.259 4.481 4.740 0.000 0.000 0.249 286 N C -0.861 174.708 175.510 0.099 0.000 1.111 286 N CA 1.237 54.322 53.050 0.058 0.000 0.711 286 N CB -1.386 37.108 38.487 0.012 0.000 1.065 286 N HN 0.953 nan 8.380 nan 0.000 0.556 287 N N -0.739 118.036 118.700 0.125 0.000 2.693 287 N HA -0.184 4.556 4.740 0.000 0.000 0.249 287 N C 0.746 176.334 175.510 0.131 0.000 1.119 287 N CA 2.495 55.638 53.050 0.154 0.000 0.717 287 N CB -1.419 37.141 38.487 0.121 0.000 1.071 287 N HN 1.329 nan 8.380 nan 0.000 0.555 288 G N -1.054 107.803 108.800 0.095 0.000 2.160 288 G HA2 -0.338 3.622 3.960 0.000 0.000 0.251 288 G HA3 -0.338 3.622 3.960 0.000 0.000 0.251 288 G C 0.039 175.008 174.900 0.115 0.000 1.008 288 G CA 0.575 45.697 45.100 0.037 0.000 0.724 288 G HN 0.676 nan 8.290 nan 0.000 0.514 289 Q N 0.591 120.518 119.800 0.211 0.000 2.465 289 Q HA 0.420 4.760 4.340 0.000 0.000 0.361 289 Q C 0.482 176.698 176.000 0.360 0.000 0.957 289 Q CA 0.374 56.415 55.803 0.398 0.000 1.065 289 Q CB 0.341 29.348 28.738 0.448 0.000 1.274 289 Q HN 0.615 nan 8.270 nan 0.000 0.421 290 T N -4.254 110.474 114.554 0.291 0.000 2.907 290 T HA 0.250 4.600 4.350 0.000 0.000 0.292 290 T C 1.295 176.132 174.700 0.229 0.000 1.043 290 T CA -0.782 61.492 62.100 0.290 0.000 1.003 290 T CB 1.294 70.388 68.868 0.376 0.000 1.084 290 T HN 0.368 nan 8.240 nan 0.000 0.483 291 C N 1.646 121.080 119.300 0.223 0.000 2.369 291 C HA -0.128 4.332 4.460 0.000 0.000 0.273 291 C C 2.702 177.750 174.990 0.097 0.000 1.172 291 C CA 1.091 60.209 59.018 0.165 0.000 1.791 291 C CB -2.004 25.854 27.740 0.198 0.000 2.086 291 C HN 0.917 nan 8.230 nan 0.000 0.459 292 V N -2.048 117.960 119.914 0.156 0.000 3.649 292 V HA 0.250 4.370 4.120 0.000 0.000 0.275 292 V C 0.889 177.093 176.094 0.184 0.000 1.281 292 V CA -0.362 62.031 62.300 0.154 0.000 1.143 292 V CB -1.769 30.190 31.823 0.227 0.000 0.892 292 V HN 0.626 nan 8.190 nan 0.000 0.441 293 C N 2.483 121.843 119.300 0.100 0.000 2.634 293 C HA 0.257 4.717 4.460 0.000 0.000 0.418 293 C C 1.440 176.429 174.990 -0.002 0.000 1.373 293 C CA 0.357 59.401 59.018 0.043 0.000 1.756 293 C CB -0.553 27.187 27.740 -0.000 0.000 2.589 293 C HN 0.634 nan 8.230 nan 0.000 0.602 294 T N 4.415 118.951 114.554 -0.030 0.000 2.849 294 T HA -0.075 4.275 4.350 0.000 0.000 0.289 294 T C 1.046 175.646 174.700 -0.166 0.000 1.010 294 T CA 0.792 62.817 62.100 -0.126 0.000 1.161 294 T CB 0.061 68.656 68.868 -0.454 0.000 0.989 294 T HN 0.803 nan 8.240 nan 0.000 0.523 295 N N 2.735 121.368 118.700 -0.111 0.000 2.482 295 N HA 0.096 4.836 4.740 0.000 0.000 0.179 295 N C 0.049 175.566 175.510 0.011 0.000 1.039 295 N CA 0.460 53.478 53.050 -0.054 0.000 0.884 295 N CB 0.565 39.032 38.487 -0.032 0.000 1.113 295 N HN 0.464 nan 8.380 nan 0.000 0.440 296 R N -0.400 120.092 120.500 -0.013 0.000 2.575 296 R HA 0.320 4.660 4.340 0.000 0.000 0.293 296 R C -1.455 174.833 176.300 -0.020 0.000 0.983 296 R CA -0.608 55.539 56.100 0.078 0.000 0.887 296 R CB 1.447 31.759 30.300 0.019 0.000 1.184 296 R HN -0.038 nan 8.270 nan 0.000 0.445 297 F N 2.774 122.805 119.950 0.135 0.000 2.405 297 F HA 0.386 4.913 4.527 0.000 0.000 0.355 297 F C -0.223 175.606 175.800 0.047 0.000 1.121 297 F CA -0.366 57.732 58.000 0.163 0.000 1.112 297 F CB 0.816 39.891 39.000 0.125 0.000 1.126 297 F HN 0.351 nan 8.300 nan 0.000 0.481 298 F N 3.707 123.884 119.950 0.378 0.000 2.325 298 F HA 0.488 5.015 4.527 0.000 0.000 0.369 298 F C -0.421 175.672 175.800 0.488 0.000 1.095 298 F CA -0.913 57.300 58.000 0.354 0.000 1.082 298 F CB 0.980 39.955 39.000 -0.042 0.000 1.289 298 F HN 0.007 nan 8.300 nan 0.000 0.462 299 V N 3.110 123.364 119.914 0.566 0.000 2.435 299 V HA 0.217 4.338 4.120 0.000 0.000 0.290 299 V C 0.423 176.538 176.094 0.036 0.000 1.030 299 V CA -0.981 61.487 62.300 0.281 0.000 0.881 299 V CB 1.135 32.964 31.823 0.011 0.000 0.983 299 V HN 0.600 nan 8.190 nan 0.000 0.445 300 H N 2.762 121.571 119.070 -0.435 0.000 2.929 300 H HA -0.004 4.552 4.556 0.000 0.000 0.358 300 H C 1.292 176.389 175.328 -0.387 0.000 1.111 300 H CA 1.126 56.609 56.048 -0.941 0.000 1.409 300 H CB 0.907 30.353 29.762 -0.526 0.000 1.373 300 H HN 0.942 nan 8.280 nan 0.000 0.610 301 E N 3.424 123.202 120.200 -0.702 0.000 2.086 301 E HA -0.287 4.063 4.350 0.000 0.000 0.205 301 E C 2.037 178.643 176.600 0.010 0.000 1.027 301 E CA 1.906 58.131 56.400 -0.291 0.000 0.830 301 E CB 0.172 29.661 29.700 -0.352 0.000 0.751 301 E HN 0.674 nan 8.360 nan 0.000 0.456 302 R N -0.193 120.420 120.500 0.189 0.000 2.061 302 R HA -0.110 4.230 4.340 0.000 0.000 0.230 302 R C 2.627 179.018 176.300 0.150 0.000 1.140 302 R CA 1.698 57.889 56.100 0.151 0.000 0.940 302 R CB -0.691 29.695 30.300 0.143 0.000 0.839 302 R HN 0.242 nan 8.270 nan 0.000 0.429 303 V N -1.373 118.638 119.914 0.163 0.000 2.913 303 V HA -0.195 3.925 4.120 0.000 0.000 0.260 303 V C 1.950 178.161 176.094 0.195 0.000 1.098 303 V CA 1.057 63.449 62.300 0.152 0.000 1.121 303 V CB -1.217 30.681 31.823 0.125 0.000 0.714 303 V HN 0.227 nan 8.190 nan 0.000 0.487 304 Y N 3.209 123.549 120.300 0.066 0.000 1.967 304 Y HA -0.380 4.170 4.550 0.000 0.000 0.260 304 Y C 2.450 178.413 175.900 0.106 0.000 1.181 304 Y CA 2.763 60.910 58.100 0.078 0.000 1.097 304 Y CB -0.509 37.967 38.460 0.025 0.000 0.934 304 Y HN 0.382 nan 8.280 nan 0.000 0.492 305 D N 0.046 120.623 120.400 0.294 0.000 2.123 305 D HA -0.235 4.405 4.640 0.000 0.000 0.196 305 D C 2.247 178.583 176.300 0.061 0.000 0.992 305 D CA 1.525 55.624 54.000 0.165 0.000 0.833 305 D CB -1.026 39.865 40.800 0.152 0.000 0.954 305 D HN 0.519 nan 8.370 nan 0.000 0.455 306 A N 0.811 123.682 122.820 0.086 0.000 1.858 306 A HA -0.142 4.178 4.320 0.000 0.000 0.216 306 A C 2.143 179.752 177.584 0.041 0.000 1.190 306 A CA 1.207 53.279 52.037 0.059 0.000 0.617 306 A CB -1.185 17.863 19.000 0.081 0.000 0.827 306 A HN 0.230 nan 8.150 nan 0.000 0.443 307 F N 1.128 121.037 119.950 -0.067 0.000 2.161 307 F HA -0.110 4.417 4.527 0.000 0.000 0.300 307 F C 2.452 178.139 175.800 -0.188 0.000 1.089 307 F CA 1.253 59.186 58.000 -0.112 0.000 1.282 307 F CB -0.306 38.637 39.000 -0.095 0.000 1.010 307 F HN 0.247 nan 8.300 nan 0.000 0.485 308 A N -0.180 122.545 122.820 -0.159 0.000 1.940 308 A HA -0.210 4.110 4.320 0.000 0.000 0.219 308 A C 2.001 179.425 177.584 -0.267 0.000 1.176 308 A CA 2.058 53.926 52.037 -0.282 0.000 0.631 308 A CB -0.951 17.897 19.000 -0.252 0.000 0.814 308 A HN 0.444 nan 8.150 nan 0.000 0.446 309 D N -0.353 119.936 120.400 -0.184 0.000 2.123 309 D HA -0.074 4.566 4.640 0.000 0.000 0.200 309 D C 2.022 178.206 176.300 -0.194 0.000 0.976 309 D CA 1.187 55.097 54.000 -0.150 0.000 0.831 309 D CB -0.179 40.570 40.800 -0.085 0.000 0.974 309 D HN 0.485 nan 8.370 nan 0.000 0.469 310 K N 0.201 120.459 120.400 -0.237 0.000 2.057 310 K HA -0.111 4.209 4.320 0.000 0.000 0.206 310 K C 2.113 178.501 176.600 -0.353 0.000 1.050 310 K CA 0.425 56.560 56.287 -0.254 0.000 0.935 310 K CB -0.176 32.187 32.500 -0.229 0.000 0.715 310 K HN 0.062 nan 8.250 nan 0.000 0.439 311 L N 1.462 122.348 121.223 -0.562 0.000 2.017 311 L HA -0.121 4.219 4.340 0.000 0.000 0.208 311 L C 2.332 178.987 176.870 -0.359 0.000 1.073 311 L CA 1.812 56.304 54.840 -0.579 0.000 0.745 311 L CB -0.709 40.823 42.059 -0.878 0.000 0.894 311 L HN 0.140 nan 8.230 nan 0.000 0.432 312 A N -0.421 122.218 122.820 -0.302 0.000 1.940 312 A HA -0.155 4.165 4.320 0.000 0.000 0.219 312 A C 2.304 179.781 177.584 -0.178 0.000 1.176 312 A CA 1.833 53.746 52.037 -0.207 0.000 0.631 312 A CB -1.186 17.715 19.000 -0.165 0.000 0.814 312 A HN 0.580 nan 8.150 nan 0.000 0.446 313 A N -1.294 121.421 122.820 -0.176 0.000 2.235 313 A HA 0.470 4.790 4.320 0.000 0.000 0.208 313 A C 2.012 179.511 177.584 -0.142 0.000 1.172 313 A CA 1.361 53.314 52.037 -0.139 0.000 0.786 313 A CB -0.474 18.455 19.000 -0.118 0.000 0.804 313 A HN 0.896 nan 8.150 nan 0.000 0.479 314 A N -1.068 121.645 122.820 -0.178 0.000 1.993 314 A HA 0.285 4.605 4.320 0.000 0.000 0.207 314 A C 1.968 179.433 177.584 -0.199 0.000 1.224 314 A CA 0.945 52.880 52.037 -0.169 0.000 0.749 314 A CB -0.446 18.448 19.000 -0.177 0.000 0.884 314 A HN 0.215 nan 8.150 nan 0.000 0.467 315 V N 1.638 121.400 119.914 -0.253 0.000 2.255 315 V HA -0.303 3.817 4.120 0.000 0.000 0.247 315 V C 3.042 179.001 176.094 -0.226 0.000 1.051 315 V CA 2.633 64.734 62.300 -0.331 0.000 1.018 315 V CB -1.087 30.541 31.823 -0.325 0.000 0.641 315 V HN 0.800 nan 8.190 nan 0.000 0.445 316 S N 1.171 116.775 115.700 -0.161 0.000 2.380 316 S HA -0.319 4.151 4.470 0.000 0.000 0.229 316 S C 2.051 176.592 174.600 -0.099 0.000 1.043 316 S CA 2.179 60.312 58.200 -0.112 0.000 1.038 316 S CB -0.804 62.340 63.200 -0.094 0.000 0.872 316 S HN 0.683 nan 8.310 nan 0.000 0.456 317 K N 1.047 121.383 120.400 -0.108 0.000 2.504 317 K HA 0.426 4.746 4.320 0.000 0.000 0.195 317 K C 0.878 177.428 176.600 -0.082 0.000 1.036 317 K CA 0.791 57.027 56.287 -0.085 0.000 0.984 317 K CB -0.921 31.531 32.500 -0.080 0.000 0.788 317 K HN 0.636 nan 8.250 nan 0.000 0.488 318 L N 1.069 122.227 121.223 -0.110 0.000 2.349 318 L HA 0.283 4.623 4.340 0.000 0.000 0.275 318 L C 0.351 177.184 176.870 -0.062 0.000 1.115 318 L CA -0.599 54.183 54.840 -0.097 0.000 0.820 318 L CB 1.615 43.579 42.059 -0.159 0.000 1.135 318 L HN 0.202 nan 8.230 nan 0.000 0.445 319 K N 2.287 122.664 120.400 -0.038 0.000 2.213 319 K HA 0.458 4.778 4.320 0.000 0.000 0.270 319 K C -1.190 175.395 176.600 -0.025 0.000 1.002 319 K CA -0.581 55.690 56.287 -0.027 0.000 0.868 319 K CB 1.402 33.890 32.500 -0.021 0.000 1.093 319 K HN 0.324 nan 8.250 nan 0.000 0.454 320 V N 3.767 123.647 119.914 -0.057 0.000 2.350 320 V HA 0.635 4.755 4.120 0.000 0.000 0.276 320 V C 0.488 176.463 176.094 -0.199 0.000 1.028 320 V CA -0.308 61.926 62.300 -0.111 0.000 0.860 320 V CB 0.881 32.535 31.823 -0.282 0.000 0.990 320 V HN 0.997 nan 8.190 nan 0.000 0.453 321 G N 3.024 111.792 108.800 -0.053 0.000 2.600 321 G HA2 0.662 4.622 3.960 0.000 0.000 0.293 321 G HA3 0.662 4.622 3.960 0.000 0.000 0.293 321 G C -0.476 174.532 174.900 0.179 0.000 1.408 321 G CA -0.425 44.609 45.100 -0.111 0.000 0.782 321 G HN 0.850 nan 8.290 nan 0.000 0.482 322 R N -0.701 119.885 120.500 0.143 0.000 2.640 322 R HA 0.470 4.810 4.340 0.000 0.000 0.270 322 R C 1.726 178.114 176.300 0.147 0.000 1.024 322 R CA 1.063 57.313 56.100 0.250 0.000 1.085 322 R CB -0.464 29.920 30.300 0.141 0.000 0.963 322 R HN 2.047 nan 8.270 nan 0.000 0.426 323 G N 0.061 108.936 108.800 0.125 0.000 2.462 323 G HA2 -0.285 3.675 3.960 0.000 0.000 0.220 323 G HA3 -0.285 3.675 3.960 0.000 0.000 0.220 323 G C 1.602 176.532 174.900 0.049 0.000 1.121 323 G CA 1.673 46.815 45.100 0.071 0.000 0.758 323 G HN 0.980 nan 8.290 nan 0.000 0.559 324 T N -1.497 113.085 114.554 0.046 0.000 3.043 324 T HA 0.110 4.460 4.350 0.000 0.000 0.263 324 T C 0.989 175.704 174.700 0.026 0.000 1.094 324 T CA 0.484 62.602 62.100 0.030 0.000 1.127 324 T CB 0.050 68.933 68.868 0.025 0.000 0.905 324 T HN 0.442 nan 8.240 nan 0.000 0.490 325 E N 2.352 122.570 120.200 0.031 0.000 2.290 325 E HA 0.222 4.572 4.350 0.000 0.000 0.277 325 E C -0.258 176.351 176.600 0.015 0.000 1.035 325 E CA -0.352 56.059 56.400 0.019 0.000 0.873 325 E CB 0.614 30.322 29.700 0.014 0.000 1.029 325 E HN 0.264 nan 8.360 nan 0.000 0.419 326 S N 3.234 118.940 115.700 0.009 0.000 2.544 326 S HA 0.228 4.698 4.470 0.000 0.000 0.290 326 S C 1.066 175.669 174.600 0.005 0.000 1.276 326 S CA 0.969 59.173 58.200 0.007 0.000 1.075 326 S CB -0.039 63.164 63.200 0.004 0.000 0.849 326 S HN 0.927 nan 8.310 nan 0.000 0.494 327 G N 3.080 111.884 108.800 0.007 0.000 2.241 327 G HA2 -0.162 3.798 3.960 0.000 0.000 0.244 327 G HA3 -0.162 3.798 3.960 0.000 0.000 0.244 327 G C 0.319 175.222 174.900 0.005 0.000 0.998 327 G CA 0.044 45.146 45.100 0.004 0.000 0.621 327 G HN 1.613 nan 8.290 nan 0.000 0.519 328 A N 0.707 123.534 122.820 0.011 0.000 2.488 328 A HA 0.609 4.929 4.320 0.000 0.000 0.249 328 A C 1.440 179.041 177.584 0.029 0.000 1.083 328 A CA 1.752 53.800 52.037 0.020 0.000 0.768 328 A CB 0.238 19.259 19.000 0.036 0.000 1.017 328 A HN 1.423 nan 8.150 nan 0.000 0.496 329 T N 0.221 114.792 114.554 0.028 0.000 2.959 329 T HA 0.345 4.695 4.350 0.000 0.000 0.254 329 T C 0.202 174.937 174.700 0.058 0.000 1.003 329 T CA 0.050 62.172 62.100 0.036 0.000 0.950 329 T CB -0.202 68.679 68.868 0.020 0.000 1.090 329 T HN 0.373 nan 8.240 nan 0.000 0.503 330 L N 2.219 123.482 121.223 0.067 0.000 2.319 330 L HA 0.730 5.070 4.340 0.000 0.000 0.281 330 L C 0.807 177.764 176.870 0.145 0.000 1.005 330 L CA -1.174 53.728 54.840 0.103 0.000 0.828 330 L CB 1.643 43.767 42.059 0.107 0.000 1.227 330 L HN 0.275 nan 8.230 nan 0.000 0.415 331 G N 3.487 112.350 108.800 0.105 0.000 2.510 331 G HA2 0.580 4.540 3.960 0.000 0.000 0.280 331 G HA3 0.580 4.540 3.960 0.000 0.000 0.280 331 G C -2.643 172.157 174.900 -0.167 0.000 1.386 331 G CA -0.876 44.258 45.100 0.057 0.000 1.047 331 G HN 0.340 nan 8.290 nan 0.000 0.527 332 P HA 0.411 nan 4.420 nan 0.000 0.281 332 P C -0.697 176.425 177.300 -0.298 0.000 1.281 332 P CA -0.690 61.935 63.100 -0.793 0.000 0.811 332 P CB 1.208 32.159 31.700 -1.248 0.000 1.154 333 L N 0.839 121.950 121.223 -0.187 0.000 2.418 333 L HA 0.139 4.479 4.340 0.000 0.000 0.265 333 L C 2.188 178.948 176.870 -0.183 0.000 1.143 333 L CA -0.121 54.651 54.840 -0.113 0.000 0.809 333 L CB -0.226 41.795 42.059 -0.062 0.000 1.124 333 L HN 0.267 nan 8.230 nan 0.000 0.456 334 I N 1.535 121.958 120.570 -0.245 0.000 2.248 334 I HA -0.235 3.935 4.170 0.000 0.000 0.248 334 I C 0.759 176.676 176.117 -0.332 0.000 1.107 334 I CA 1.367 62.439 61.300 -0.380 0.000 1.373 334 I CB -0.513 36.965 38.000 -0.871 0.000 1.055 334 I HN 0.993 nan 8.210 nan 0.000 0.418 335 N N -2.534 115.991 118.700 -0.292 0.000 3.364 335 N HA 0.072 4.812 4.740 0.000 0.000 0.294 335 N C 0.484 175.913 175.510 -0.134 0.000 1.562 335 N CA -0.497 52.430 53.050 -0.205 0.000 0.862 335 N CB 0.136 38.480 38.487 -0.239 0.000 1.691 335 N HN -0.240 nan 8.380 nan 0.000 0.572 336 E N -0.200 119.940 120.200 -0.100 0.000 2.216 336 E HA 0.168 4.518 4.350 0.000 0.000 0.192 336 E C 1.538 178.103 176.600 -0.058 0.000 0.988 336 E CA 1.157 57.524 56.400 -0.055 0.000 0.834 336 E CB -0.392 29.281 29.700 -0.045 0.000 0.772 336 E HN 0.624 nan 8.360 nan 0.000 0.479 337 A N 0.779 123.548 122.820 -0.085 0.000 1.930 337 A HA -0.007 4.313 4.320 0.000 0.000 0.217 337 A C 2.305 179.842 177.584 -0.077 0.000 1.175 337 A CA 1.648 53.642 52.037 -0.073 0.000 0.627 337 A CB -0.380 18.572 19.000 -0.081 0.000 0.815 337 A HN 0.242 nan 8.150 nan 0.000 0.443 338 A N -0.732 122.023 122.820 -0.108 0.000 2.066 338 A HA 0.188 4.508 4.320 0.000 0.000 0.218 338 A C 2.071 179.594 177.584 -0.102 0.000 1.157 338 A CA 1.353 53.331 52.037 -0.098 0.000 0.670 338 A CB -0.465 18.456 19.000 -0.132 0.000 0.804 338 A HN 0.302 nan 8.150 nan 0.000 0.453 339 V N 0.147 120.015 119.914 -0.077 0.000 2.346 339 V HA -0.142 3.978 4.120 0.000 0.000 0.244 339 V C 3.154 179.213 176.094 -0.058 0.000 1.037 339 V CA 2.319 64.585 62.300 -0.056 0.000 1.029 339 V CB -0.996 30.873 31.823 0.077 0.000 0.663 339 V HN 0.656 nan 8.190 nan 0.000 0.454 340 K N 0.692 121.078 120.400 -0.023 0.000 2.063 340 K HA -0.287 4.033 4.320 0.000 0.000 0.208 340 K C 2.087 178.664 176.600 -0.038 0.000 1.048 340 K CA 2.319 58.602 56.287 -0.007 0.000 0.928 340 K CB -0.735 31.763 32.500 -0.003 0.000 0.713 340 K HN 0.483 nan 8.250 nan 0.000 0.442 341 K N 0.254 120.607 120.400 -0.077 0.000 2.032 341 K HA -0.077 4.243 4.320 0.000 0.000 0.209 341 K C 2.024 178.499 176.600 -0.208 0.000 1.048 341 K CA 1.698 57.907 56.287 -0.130 0.000 0.927 341 K CB -0.487 31.936 32.500 -0.128 0.000 0.712 341 K HN 0.181 nan 8.250 nan 0.000 0.441 342 V N 1.038 120.813 119.914 -0.231 0.000 2.427 342 V HA -0.199 3.921 4.120 0.000 0.000 0.248 342 V C 2.039 178.028 176.094 -0.174 0.000 1.051 342 V CA 1.969 64.090 62.300 -0.298 0.000 1.048 342 V CB -0.452 31.019 31.823 -0.587 0.000 0.666 342 V HN 0.393 nan 8.190 nan 0.000 0.456 343 E N -0.026 120.119 120.200 -0.091 0.000 2.058 343 E HA -0.231 4.119 4.350 0.000 0.000 0.194 343 E C 2.446 179.103 176.600 0.095 0.000 0.997 343 E CA 1.614 58.072 56.400 0.097 0.000 0.801 343 E CB -0.284 29.499 29.700 0.139 0.000 0.746 343 E HN 0.508 nan 8.360 nan 0.000 0.450 344 S N -0.295 115.444 115.700 0.065 0.000 2.370 344 S HA -0.230 4.240 4.470 0.000 0.000 0.226 344 S C 1.820 176.526 174.600 0.177 0.000 1.033 344 S CA 1.307 59.566 58.200 0.099 0.000 1.011 344 S CB -0.292 62.953 63.200 0.076 0.000 0.852 344 S HN 0.395 nan 8.310 nan 0.000 0.457 345 H N -0.242 118.844 119.070 0.027 0.000 2.387 345 H HA 0.006 4.562 4.556 0.000 0.000 0.299 345 H C 2.121 177.470 175.328 0.035 0.000 1.090 345 H CA 1.547 57.614 56.048 0.030 0.000 1.332 345 H CB -0.030 29.744 29.762 0.019 0.000 1.386 345 H HN 0.396 nan 8.280 nan 0.000 0.516 346 I N 0.361 121.033 120.570 0.170 0.000 2.202 346 I HA -0.223 3.947 4.170 0.000 0.000 0.242 346 I C 2.844 179.015 176.117 0.091 0.000 1.091 346 I CA 0.772 62.146 61.300 0.123 0.000 1.368 346 I CB -0.240 37.857 38.000 0.161 0.000 1.058 346 I HN 0.233 nan 8.210 nan 0.000 0.410 347 A N 0.708 123.586 122.820 0.096 0.000 1.865 347 A HA -0.355 3.965 4.320 0.000 0.000 0.217 347 A C 1.983 179.599 177.584 0.054 0.000 1.191 347 A CA 2.563 54.643 52.037 0.072 0.000 0.623 347 A CB -1.044 17.999 19.000 0.073 0.000 0.826 347 A HN 0.522 nan 8.150 nan 0.000 0.444 348 D N -0.523 119.913 120.400 0.060 0.000 2.106 348 D HA -0.113 4.527 4.640 0.000 0.000 0.191 348 D C 1.994 178.303 176.300 0.015 0.000 0.997 348 D CA 2.108 56.131 54.000 0.040 0.000 0.834 348 D CB -0.196 40.631 40.800 0.045 0.000 0.956 348 D HN 0.377 nan 8.370 nan 0.000 0.448 349 A N 0.164 122.987 122.820 0.004 0.000 1.902 349 A HA -0.094 4.226 4.320 0.000 0.000 0.217 349 A C 2.250 179.828 177.584 -0.010 0.000 1.181 349 A CA 0.874 52.898 52.037 -0.021 0.000 0.623 349 A CB -0.762 18.216 19.000 -0.037 0.000 0.818 349 A HN 0.377 nan 8.150 nan 0.000 0.443 350 L N -0.396 120.832 121.223 0.009 0.000 1.989 350 L HA -0.198 4.143 4.340 0.000 0.000 0.211 350 L C 3.020 179.895 176.870 0.009 0.000 1.071 350 L CA 2.285 57.132 54.840 0.012 0.000 0.749 350 L CB -1.556 40.518 42.059 0.025 0.000 0.890 350 L HN 0.456 nan 8.230 nan 0.000 0.431 351 A N -0.573 122.256 122.820 0.014 0.000 1.986 351 A HA -0.236 4.084 4.320 0.000 0.000 0.220 351 A C 2.137 179.725 177.584 0.008 0.000 1.171 351 A CA 1.694 53.739 52.037 0.013 0.000 0.640 351 A CB -0.383 18.629 19.000 0.019 0.000 0.811 351 A HN 0.449 nan 8.150 nan 0.000 0.451 352 K N -1.871 118.532 120.400 0.004 0.000 2.404 352 K HA 0.272 4.592 4.320 0.000 0.000 0.194 352 K C 0.902 177.497 176.600 -0.007 0.000 1.023 352 K CA 0.473 56.760 56.287 -0.000 0.000 1.094 352 K CB 0.179 32.678 32.500 -0.001 0.000 0.841 352 K HN 0.625 nan 8.250 nan 0.000 0.523 353 G N 0.578 109.372 108.800 -0.009 0.000 2.205 353 G HA2 -0.173 3.787 3.960 0.000 0.000 0.180 353 G HA3 -0.173 3.787 3.960 0.000 0.000 0.180 353 G C 0.075 174.964 174.900 -0.018 0.000 1.004 353 G CA -0.214 44.879 45.100 -0.012 0.000 0.670 353 G HN 0.361 nan 8.290 nan 0.000 0.496 354 A N 0.368 123.174 122.820 -0.023 0.000 2.371 354 A HA 0.727 5.047 4.320 0.000 0.000 0.257 354 A C 0.677 178.254 177.584 -0.010 0.000 1.089 354 A CA 0.761 52.781 52.037 -0.029 0.000 0.794 354 A CB 0.526 19.497 19.000 -0.049 0.000 1.029 354 A HN 1.267 nan 8.150 nan 0.000 0.488 355 S N 1.488 117.186 115.700 -0.004 0.000 2.433 355 S HA 0.433 4.903 4.470 0.000 0.000 0.310 355 S C -0.479 174.125 174.600 0.006 0.000 1.097 355 S CA -0.583 57.620 58.200 0.006 0.000 1.103 355 S CB 1.041 64.249 63.200 0.015 0.000 0.992 355 S HN 0.716 nan 8.310 nan 0.000 0.469 356 L N 4.190 125.419 121.223 0.009 0.000 2.369 356 L HA 0.370 4.710 4.340 0.000 0.000 0.279 356 L C 0.796 177.667 176.870 0.002 0.000 1.108 356 L CA 0.310 55.157 54.840 0.013 0.000 0.852 356 L CB 0.328 42.400 42.059 0.022 0.000 1.169 356 L HN 0.902 nan 8.230 nan 0.000 0.452 357 M N 2.584 122.181 119.600 -0.005 0.000 2.447 357 M HA 0.093 4.573 4.480 0.000 0.000 0.266 357 M C 0.156 176.441 176.300 -0.025 0.000 1.120 357 M CA 0.729 56.016 55.300 -0.022 0.000 1.166 357 M CB 0.415 32.989 32.600 -0.044 0.000 1.349 357 M HN 0.752 nan 8.290 nan 0.000 0.463 358 T N -1.180 113.366 114.554 -0.013 0.000 2.957 358 T HA 0.532 4.882 4.350 0.000 0.000 0.336 358 T C -0.164 174.546 174.700 0.018 0.000 1.462 358 T CA 0.206 62.298 62.100 -0.013 0.000 1.073 358 T CB 1.308 70.153 68.868 -0.038 0.000 1.319 358 T HN 0.643 nan 8.240 nan 0.000 0.485 359 G N 2.525 111.332 108.800 0.011 0.000 2.742 359 G HA2 0.240 4.200 3.960 0.000 0.000 0.255 359 G HA3 0.240 4.200 3.960 0.000 0.000 0.255 359 G C 1.401 176.315 174.900 0.022 0.000 1.322 359 G CA 1.433 46.552 45.100 0.032 0.000 0.967 359 G HN 2.488 nan 8.290 nan 0.000 0.556 360 G N -1.872 106.991 108.800 0.105 0.000 2.328 360 G HA2 0.317 4.277 3.960 0.000 0.000 0.256 360 G HA3 0.317 4.277 3.960 0.000 0.000 0.256 360 G C 0.909 175.826 174.900 0.029 0.000 1.014 360 G CA 2.247 47.422 45.100 0.125 0.000 0.620 360 G HN 2.497 nan 8.290 nan 0.000 0.530 361 K N 0.534 120.806 120.400 -0.213 0.000 2.318 361 K HA 0.847 5.167 4.320 0.000 0.000 0.249 361 K C 0.436 176.525 176.600 -0.850 0.000 0.942 361 K CA -0.207 55.856 56.287 -0.374 0.000 0.808 361 K CB 0.673 33.053 32.500 -0.200 0.000 1.189 361 K HN 0.706 nan 8.250 nan 0.000 0.428 362 R N 1.857 121.875 120.500 -0.804 0.000 2.638 362 R HA 0.015 4.355 4.340 0.000 0.000 0.268 362 R C 0.513 176.641 176.300 -0.287 0.000 1.006 362 R CA -0.292 55.440 56.100 -0.614 0.000 1.088 362 R CB 0.098 30.311 30.300 -0.145 0.000 0.950 362 R HN 0.766 nan 8.270 nan 0.000 0.419 363 H N 0.976 119.935 119.070 -0.186 0.000 2.679 363 H HA 0.061 4.617 4.556 0.000 0.000 0.369 363 H C 0.749 176.040 175.328 -0.061 0.000 1.178 363 H CA 0.475 56.473 56.048 -0.083 0.000 1.419 363 H CB 1.311 31.090 29.762 0.029 0.000 1.458 363 H HN 0.723 nan 8.280 nan 0.000 0.605 364 A N 4.033 126.589 122.820 -0.440 0.000 2.015 364 A HA -0.085 4.235 4.320 0.000 0.000 0.219 364 A C 2.733 180.300 177.584 -0.029 0.000 1.163 364 A CA 1.386 53.286 52.037 -0.228 0.000 0.646 364 A CB -1.063 17.743 19.000 -0.322 0.000 0.806 364 A HN 0.641 nan 8.150 nan 0.000 0.448 365 L N -1.515 119.796 121.223 0.147 0.000 2.549 365 L HA 0.385 4.725 4.340 0.000 0.000 0.229 365 L C 1.803 178.752 176.870 0.131 0.000 1.158 365 L CA 1.552 56.414 54.840 0.035 0.000 0.842 365 L CB -2.213 39.654 42.059 -0.320 0.000 0.952 365 L HN 1.673 nan 8.230 nan 0.000 0.452 366 G N -2.439 106.450 108.800 0.149 0.000 2.542 366 G HA2 -0.191 3.769 3.960 0.000 0.000 0.235 366 G HA3 -0.191 3.769 3.960 0.000 0.000 0.235 366 G C 0.345 175.386 174.900 0.236 0.000 1.286 366 G CA 0.623 45.770 45.100 0.079 0.000 0.904 366 G HN 1.622 nan 8.290 nan 0.000 0.577 367 H N -1.668 117.498 119.070 0.161 0.000 1.452 367 H HA -0.263 4.293 4.556 0.000 0.000 0.090 367 H C 2.134 177.521 175.328 0.099 0.000 0.957 367 H CA 2.911 59.030 56.048 0.118 0.000 1.901 367 H CB -1.167 28.674 29.762 0.131 0.000 2.257 367 H HN 1.692 nan 8.280 nan 0.000 0.961 368 G N -0.171 108.738 108.800 0.181 0.000 3.042 368 G HA2 0.217 4.177 3.960 0.000 0.000 0.212 368 G HA3 0.217 4.177 3.960 0.000 0.000 0.212 368 G C -0.379 174.525 174.900 0.007 0.000 1.166 368 G CA -0.205 44.906 45.100 0.018 0.000 0.767 368 G HN 0.179 nan 8.290 nan 0.000 0.546 369 F N 0.260 120.307 119.950 0.162 0.000 2.484 369 F HA 0.544 5.071 4.527 0.000 0.000 0.360 369 F C -0.123 175.828 175.800 0.251 0.000 1.101 369 F CA -0.365 57.724 58.000 0.149 0.000 1.251 369 F CB 0.702 39.748 39.000 0.077 0.000 1.132 369 F HN -0.030 nan 8.300 nan 0.000 0.570 370 F N 1.728 121.838 119.950 0.267 0.000 2.596 370 F HA 0.317 4.844 4.527 0.000 0.000 0.311 370 F C -0.406 175.519 175.800 0.208 0.000 1.116 370 F CA -0.911 57.216 58.000 0.211 0.000 0.957 370 F CB 1.342 40.424 39.000 0.137 0.000 1.250 370 F HN 0.424 nan 8.300 nan 0.000 0.444 371 E N 6.009 126.265 120.200 0.093 0.000 2.360 371 E HA 0.172 4.522 4.350 0.000 0.000 0.269 371 E C -2.301 174.477 176.600 0.297 0.000 1.022 371 E CA -1.621 54.881 56.400 0.171 0.000 0.887 371 E CB 0.525 30.241 29.700 0.026 0.000 0.990 371 E HN 0.158 nan 8.360 nan 0.000 0.426 372 P HA -0.002 nan 4.420 nan 0.000 0.271 372 P C -0.926 176.491 177.300 0.196 0.000 1.233 372 P CA -0.019 63.216 63.100 0.226 0.000 0.764 372 P CB 0.731 32.411 31.700 -0.033 0.000 0.825 373 T N 2.893 117.620 114.554 0.288 0.000 2.824 373 T HA 0.397 4.747 4.350 0.000 0.000 0.280 373 T C -0.007 174.796 174.700 0.172 0.000 0.995 373 T CA -0.440 61.785 62.100 0.209 0.000 1.009 373 T CB 1.093 70.111 68.868 0.249 0.000 0.955 373 T HN 0.076 nan 8.240 nan 0.000 0.452 374 V N 4.483 124.446 119.914 0.081 0.000 2.448 374 V HA 0.496 4.616 4.120 0.000 0.000 0.295 374 V C -0.400 175.695 176.094 0.002 0.000 1.025 374 V CA -0.830 61.482 62.300 0.020 0.000 0.859 374 V CB 1.481 33.269 31.823 -0.058 0.000 0.988 374 V HN 0.719 nan 8.190 nan 0.000 0.431 375 L N 4.690 125.909 121.223 -0.006 0.000 2.322 375 L HA 0.686 5.026 4.340 0.000 0.000 0.281 375 L C 0.449 177.297 176.870 -0.038 0.000 1.014 375 L CA -0.281 54.550 54.840 -0.015 0.000 0.815 375 L CB 2.443 44.495 42.059 -0.012 0.000 1.247 375 L HN 0.825 nan 8.230 nan 0.000 0.421 376 T N -1.864 112.684 114.554 -0.012 0.000 2.948 376 T HA 0.562 4.912 4.350 0.000 0.000 0.285 376 T C 0.820 175.547 174.700 0.045 0.000 1.019 376 T CA -0.104 62.028 62.100 0.053 0.000 1.013 376 T CB 1.687 70.612 68.868 0.096 0.000 1.117 376 T HN 0.898 nan 8.240 nan 0.000 0.533 377 G N 0.186 109.056 108.800 0.116 0.000 2.323 377 G HA2 -0.154 3.806 3.960 0.000 0.000 0.292 377 G HA3 -0.154 3.806 3.960 0.000 0.000 0.292 377 G C -0.080 174.756 174.900 -0.107 0.000 1.040 377 G CA 0.017 45.113 45.100 -0.007 0.000 0.942 377 G HN 1.026 nan 8.290 nan 0.000 0.506 378 V N -0.154 119.626 119.914 -0.222 0.000 2.461 378 V HA 0.757 4.877 4.120 0.000 0.000 0.275 378 V C 0.704 176.421 176.094 -0.629 0.000 1.047 378 V CA 0.463 62.458 62.300 -0.508 0.000 0.955 378 V CB 0.952 32.297 31.823 -0.796 0.000 0.988 378 V HN 0.897 nan 8.190 nan 0.000 0.471 379 K N 5.834 126.032 120.400 -0.336 0.000 2.281 379 K HA 0.735 5.055 4.320 0.000 0.000 0.242 379 K C -2.626 174.119 176.600 0.242 0.000 0.971 379 K CA -1.925 54.356 56.287 -0.010 0.000 0.834 379 K CB 1.022 33.534 32.500 0.020 0.000 1.181 379 K HN 0.511 nan 8.250 nan 0.000 0.435 380 P HA 0.048 nan 4.420 nan 0.000 0.258 380 P C -0.496 176.920 177.300 0.193 0.000 1.403 380 P CA 0.480 63.809 63.100 0.381 0.000 0.826 380 P CB 0.123 31.988 31.700 0.276 0.000 1.414 381 D N -2.215 118.267 120.400 0.137 0.000 2.462 381 D HA 0.098 4.738 4.640 0.000 0.000 0.221 381 D C 0.292 176.629 176.300 0.061 0.000 1.173 381 D CA 0.021 54.071 54.000 0.083 0.000 0.831 381 D CB -0.089 40.747 40.800 0.060 0.000 1.001 381 D HN 0.135 nan 8.370 nan 0.000 0.499 382 M N 0.393 120.033 119.600 0.067 0.000 2.573 382 M HA 0.215 4.695 4.480 0.000 0.000 0.309 382 M C 0.644 176.947 176.300 0.006 0.000 1.202 382 M CA -0.755 54.555 55.300 0.017 0.000 0.975 382 M CB 1.644 34.226 32.600 -0.029 0.000 1.600 382 M HN -0.363 nan 8.290 nan 0.000 0.479 383 D N 0.591 120.957 120.400 -0.056 0.000 2.117 383 D HA -0.126 4.514 4.640 0.000 0.000 0.198 383 D C 1.765 177.926 176.300 -0.231 0.000 0.982 383 D CA 1.119 55.071 54.000 -0.080 0.000 0.828 383 D CB -0.063 40.721 40.800 -0.027 0.000 0.967 383 D HN 0.372 nan 8.370 nan 0.000 0.464 384 V N 0.669 120.296 119.914 -0.479 0.000 2.867 384 V HA -0.178 3.942 4.120 0.000 0.000 0.260 384 V C 1.945 178.045 176.094 0.009 0.000 1.099 384 V CA 1.775 63.810 62.300 -0.441 0.000 1.122 384 V CB -0.345 31.287 31.823 -0.319 0.000 0.708 384 V HN 0.186 nan 8.190 nan 0.000 0.490 385 A N -0.727 122.162 122.820 0.115 0.000 2.081 385 A HA 0.162 4.482 4.320 0.000 0.000 0.214 385 A C 2.165 179.840 177.584 0.152 0.000 1.158 385 A CA 1.339 53.523 52.037 0.244 0.000 0.724 385 A CB -0.268 18.949 19.000 0.363 0.000 0.826 385 A HN 0.584 nan 8.150 nan 0.000 0.463 386 K N -0.167 120.313 120.400 0.132 0.000 2.402 386 K HA 0.383 4.703 4.320 0.000 0.000 0.203 386 K C 0.301 177.034 176.600 0.222 0.000 1.077 386 K CA 0.301 56.682 56.287 0.157 0.000 1.051 386 K CB 0.225 32.796 32.500 0.118 0.000 0.907 386 K HN 0.577 nan 8.250 nan 0.000 0.554 387 E N -0.006 120.313 120.200 0.199 0.000 2.336 387 E HA 0.291 4.641 4.350 0.000 0.000 0.267 387 E C -1.241 175.494 176.600 0.225 0.000 0.906 387 E CA -0.739 55.808 56.400 0.246 0.000 0.781 387 E CB 2.060 31.957 29.700 0.329 0.000 1.261 387 E HN 0.393 nan 8.360 nan 0.000 0.436 388 E N 0.499 120.773 120.200 0.124 0.000 2.249 388 E HA 0.153 4.503 4.350 0.000 0.000 0.280 388 E C 0.153 176.771 176.600 0.031 0.000 1.016 388 E CA -0.052 56.320 56.400 -0.048 0.000 0.830 388 E CB 1.424 30.885 29.700 -0.399 0.000 1.081 388 E HN 0.422 nan 8.360 nan 0.000 0.395 389 T N 2.072 116.622 114.554 -0.006 0.000 2.894 389 T HA -0.057 4.293 4.350 0.000 0.000 0.258 389 T C 0.328 175.052 174.700 0.041 0.000 1.043 389 T CA 0.146 62.228 62.100 -0.028 0.000 1.141 389 T CB -0.158 68.762 68.868 0.087 0.000 0.873 389 T HN 0.553 nan 8.240 nan 0.000 0.449 390 F N 1.136 121.090 119.950 0.007 0.000 3.090 390 F HA -0.098 4.429 4.527 0.000 0.000 0.282 390 F C 0.896 176.713 175.800 0.029 0.000 0.923 390 F CA 0.539 58.564 58.000 0.042 0.000 0.977 390 F CB -1.684 37.377 39.000 0.103 0.000 0.954 390 F HN 0.378 nan 8.300 nan 0.000 0.695 391 G N -1.417 107.441 108.800 0.097 0.000 2.721 391 G HA2 0.694 4.654 3.960 0.000 0.000 0.296 391 G HA3 0.694 4.654 3.960 0.000 0.000 0.296 391 G C -3.039 171.879 174.900 0.029 0.000 1.383 391 G CA -0.990 44.134 45.100 0.040 0.000 0.788 391 G HN -0.240 nan 8.290 nan 0.000 0.500 392 P HA 0.315 nan 4.420 nan 0.000 0.214 392 P C -0.736 176.700 177.300 0.225 0.000 1.807 392 P CA -0.196 63.022 63.100 0.197 0.000 0.921 392 P CB 0.081 31.988 31.700 0.344 0.000 1.835 393 L N 0.084 121.352 121.223 0.076 0.000 2.356 393 L HA 0.785 5.125 4.340 0.000 0.000 0.277 393 L C -0.782 176.139 176.870 0.085 0.000 0.996 393 L CA -0.906 54.003 54.840 0.115 0.000 0.822 393 L CB 1.836 43.955 42.059 0.100 0.000 1.256 393 L HN 0.013 nan 8.230 nan 0.000 0.413 394 A N 6.936 129.836 122.820 0.134 0.000 2.511 394 A HA 0.753 5.073 4.320 0.000 0.000 0.340 394 A C -2.678 174.990 177.584 0.140 0.000 1.396 394 A CA -1.350 50.792 52.037 0.175 0.000 0.887 394 A CB -0.193 18.833 19.000 0.043 0.000 1.145 394 A HN 0.505 nan 8.150 nan 0.000 0.497 395 P HA 0.429 nan 4.420 nan 0.000 0.292 395 P C -0.888 176.481 177.300 0.115 0.000 1.287 395 P CA -0.180 62.964 63.100 0.072 0.000 0.800 395 P CB 1.225 32.938 31.700 0.022 0.000 0.945 396 L N 4.228 125.435 121.223 -0.027 0.000 2.276 396 L HA 0.449 4.790 4.340 0.000 0.000 0.286 396 L C 0.257 177.142 176.870 0.024 0.000 1.024 396 L CA -0.640 54.222 54.840 0.036 0.000 0.826 396 L CB 0.130 42.119 42.059 -0.117 0.000 1.211 396 L HN 0.234 nan 8.230 nan 0.000 0.422 397 F N 2.019 121.967 119.950 -0.003 0.000 2.378 397 F HA 0.531 5.058 4.527 0.000 0.000 0.325 397 F C 0.696 176.650 175.800 0.257 0.000 1.097 397 F CA -0.401 57.574 58.000 -0.041 0.000 1.079 397 F CB 1.123 39.736 39.000 -0.645 0.000 1.240 397 F HN 0.405 nan 8.300 nan 0.000 0.519 398 R N 2.304 123.040 120.500 0.394 0.000 2.604 398 R HA 0.636 4.976 4.340 0.000 0.000 0.287 398 R C -1.635 174.881 176.300 0.359 0.000 0.970 398 R CA -0.602 55.641 56.100 0.238 0.000 0.946 398 R CB 1.310 31.507 30.300 -0.171 0.000 1.127 398 R HN 0.650 nan 8.270 nan 0.000 0.473 399 F N 0.388 120.374 119.950 0.059 0.000 2.631 399 F HA 0.678 5.205 4.527 0.000 0.000 0.308 399 F C -0.514 175.150 175.800 -0.226 0.000 1.097 399 F CA -0.735 57.250 58.000 -0.025 0.000 0.952 399 F CB 1.556 40.568 39.000 0.020 0.000 1.307 399 F HN 0.503 nan 8.300 nan 0.000 0.450 400 A N 1.278 124.041 122.820 -0.095 0.000 1.909 400 A HA 0.432 4.752 4.320 0.000 0.000 0.209 400 A C 0.715 178.251 177.584 -0.079 0.000 1.247 400 A CA 0.928 52.833 52.037 -0.221 0.000 0.660 400 A CB -0.839 18.122 19.000 -0.065 0.000 0.910 400 A HN 0.964 nan 8.150 nan 0.000 0.465 401 S N -1.200 114.595 115.700 0.157 0.000 2.621 401 S HA 0.442 4.912 4.470 0.000 0.000 0.302 401 S C 0.491 175.319 174.600 0.380 0.000 1.093 401 S CA 0.128 58.482 58.200 0.257 0.000 1.017 401 S CB 1.843 65.141 63.200 0.164 0.000 1.077 401 S HN 0.412 nan 8.310 nan 0.000 0.517 402 E N 0.677 121.135 120.200 0.431 0.000 2.085 402 E HA -0.248 4.102 4.350 0.000 0.000 0.194 402 E C 1.691 178.413 176.600 0.204 0.000 0.994 402 E CA 1.429 58.098 56.400 0.448 0.000 0.801 402 E CB -0.147 29.769 29.700 0.361 0.000 0.743 402 E HN 0.839 nan 8.360 nan 0.000 0.453 403 E N 0.406 120.691 120.200 0.143 0.000 2.077 403 E HA -0.264 4.086 4.350 0.000 0.000 0.193 403 E C 2.021 178.640 176.600 0.032 0.000 0.989 403 E CA 1.310 57.752 56.400 0.070 0.000 0.800 403 E CB -0.032 29.706 29.700 0.063 0.000 0.746 403 E HN 0.354 nan 8.360 nan 0.000 0.452 404 E N 0.354 120.586 120.200 0.055 0.000 2.072 404 E HA -0.190 4.160 4.350 0.000 0.000 0.191 404 E C 2.406 178.948 176.600 -0.098 0.000 0.985 404 E CA 0.802 57.212 56.400 0.017 0.000 0.801 404 E CB -0.109 29.640 29.700 0.082 0.000 0.750 404 E HN 0.267 nan 8.360 nan 0.000 0.452 405 L N 0.536 121.649 121.223 -0.184 0.000 1.989 405 L HA -0.195 4.145 4.340 0.000 0.000 0.211 405 L C 2.331 178.934 176.870 -0.445 0.000 1.071 405 L CA 1.394 55.901 54.840 -0.555 0.000 0.749 405 L CB -0.318 41.173 42.059 -0.947 0.000 0.890 405 L HN 0.033 nan 8.230 nan 0.000 0.431 406 V N 0.114 119.888 119.914 -0.232 0.000 2.380 406 V HA -0.327 3.793 4.120 0.000 0.000 0.251 406 V C 2.775 178.768 176.094 -0.169 0.000 1.063 406 V CA 2.296 64.496 62.300 -0.168 0.000 1.055 406 V CB -0.917 30.863 31.823 -0.071 0.000 0.657 406 V HN 0.533 nan 8.190 nan 0.000 0.455 407 R N -0.721 119.690 120.500 -0.148 0.000 2.092 407 R HA -0.111 4.229 4.340 0.000 0.000 0.231 407 R C 2.180 178.381 176.300 -0.165 0.000 1.119 407 R CA 1.297 57.325 56.100 -0.121 0.000 0.970 407 R CB -0.121 30.135 30.300 -0.073 0.000 0.864 407 R HN 0.348 nan 8.270 nan 0.000 0.440 408 L N 0.429 121.495 121.223 -0.262 0.000 2.044 408 L HA 0.027 4.367 4.340 0.000 0.000 0.205 408 L C 2.502 179.102 176.870 -0.450 0.000 1.075 408 L CA 1.976 56.613 54.840 -0.338 0.000 0.747 408 L CB -1.028 40.762 42.059 -0.450 0.000 0.903 408 L HN 0.197 nan 8.230 nan 0.000 0.435 409 A N -0.495 121.954 122.820 -0.618 0.000 1.933 409 A HA -0.186 4.134 4.320 0.000 0.000 0.218 409 A C 1.891 179.424 177.584 -0.085 0.000 1.175 409 A CA 1.839 53.605 52.037 -0.451 0.000 0.628 409 A CB -0.523 18.197 19.000 -0.468 0.000 0.814 409 A HN 0.506 nan 8.150 nan 0.000 0.444 410 N N -0.078 118.562 118.700 -0.101 0.000 2.336 410 N HA 0.021 4.761 4.740 0.000 0.000 0.189 410 N C -0.301 175.147 175.510 -0.103 0.000 1.113 410 N CA 0.356 53.363 53.050 -0.072 0.000 0.858 410 N CB 0.020 38.457 38.487 -0.084 0.000 0.970 410 N HN 0.411 nan 8.380 nan 0.000 0.471 411 D N 0.605 120.947 120.400 -0.096 0.000 2.713 411 D HA 0.124 4.764 4.640 0.000 0.000 0.229 411 D C -0.730 175.531 176.300 -0.065 0.000 1.136 411 D CA 0.156 54.107 54.000 -0.081 0.000 1.010 411 D CB -0.104 40.655 40.800 -0.067 0.000 1.084 411 D HN -0.113 nan 8.370 nan 0.000 0.495 412 T N -0.739 113.757 114.554 -0.098 0.000 2.830 412 T HA 0.440 4.790 4.350 0.000 0.000 0.322 412 T C 0.912 175.460 174.700 -0.253 0.000 1.501 412 T CA 0.141 62.169 62.100 -0.120 0.000 1.036 412 T CB 1.029 69.902 68.868 0.008 0.000 1.379 412 T HN 0.017 nan 8.240 nan 0.000 0.493 413 E N 1.635 121.559 120.200 -0.460 0.000 2.268 413 E HA 0.180 4.530 4.350 0.000 0.000 0.195 413 E C 0.204 176.434 176.600 -0.616 0.000 0.995 413 E CA 1.213 57.239 56.400 -0.624 0.000 0.836 413 E CB -0.451 28.733 29.700 -0.861 0.000 0.763 413 E HN 0.494 nan 8.360 nan 0.000 0.491 414 F N -1.354 118.528 119.950 -0.114 0.000 2.411 414 F HA 0.649 5.176 4.527 0.000 0.000 0.324 414 F C 1.405 177.002 175.800 -0.338 0.000 1.086 414 F CA -0.667 57.246 58.000 -0.145 0.000 1.028 414 F CB 2.073 41.039 39.000 -0.058 0.000 1.284 414 F HN -0.029 nan 8.300 nan 0.000 0.501 415 G N 0.543 109.250 108.800 -0.155 0.000 5.374 415 G HA2 0.286 4.246 3.960 0.000 0.000 0.198 415 G HA3 0.286 4.246 3.960 0.000 0.000 0.198 415 G C -0.296 174.490 174.900 -0.190 0.000 0.812 415 G CA -0.159 44.582 45.100 -0.598 0.000 0.614 415 G HN 0.521 nan 8.290 nan 0.000 0.357 416 L N 1.070 122.333 121.223 0.067 0.000 2.038 416 L HA 0.835 5.175 4.340 0.000 0.000 0.205 416 L C 1.294 178.184 176.870 0.035 0.000 1.151 416 L CA 1.700 56.541 54.840 0.002 0.000 0.799 416 L CB -0.302 41.728 42.059 -0.047 0.000 0.926 416 L HN 0.327 nan 8.230 nan 0.000 0.457 417 A N -1.206 121.606 122.820 -0.014 0.000 2.356 417 A HA 0.857 5.177 4.320 0.000 0.000 0.323 417 A C -1.109 176.148 177.584 -0.545 0.000 1.119 417 A CA 0.022 51.895 52.037 -0.274 0.000 0.790 417 A CB 1.152 19.974 19.000 -0.296 0.000 1.273 417 A HN 0.633 nan 8.150 nan 0.000 0.452 418 A N 0.508 122.818 122.820 -0.850 0.000 2.549 418 A HA 0.752 5.072 4.320 0.000 0.000 0.297 418 A C -1.752 175.238 177.584 -0.991 0.000 1.061 418 A CA -0.431 51.027 52.037 -0.964 0.000 0.690 418 A CB 0.907 19.216 19.000 -1.151 0.000 1.287 418 A HN 0.835 nan 8.150 nan 0.000 0.402 419 Y N 0.324 120.422 120.300 -0.336 0.000 2.446 419 Y HA 0.708 5.258 4.550 0.000 0.000 0.345 419 Y C -0.348 175.294 175.900 -0.430 0.000 0.984 419 Y CA -0.935 56.937 58.100 -0.380 0.000 1.058 419 Y CB 2.249 40.438 38.460 -0.452 0.000 1.220 419 Y HN 0.663 nan 8.280 nan 0.000 0.455 420 L N 3.407 124.505 121.223 -0.208 0.000 2.476 420 L HA 0.558 4.898 4.340 0.000 0.000 0.269 420 L C -2.357 174.456 176.870 -0.094 0.000 0.965 420 L CA -0.879 53.894 54.840 -0.113 0.000 0.845 420 L CB 1.070 43.063 42.059 -0.109 0.000 1.259 420 L HN 0.598 nan 8.230 nan 0.000 0.403 421 Y N 3.693 123.957 120.300 -0.059 0.000 2.338 421 Y HA 0.730 5.280 4.550 0.000 0.000 0.328 421 Y C 0.147 176.133 175.900 0.143 0.000 0.965 421 Y CA -0.183 57.938 58.100 0.036 0.000 1.208 421 Y CB 2.083 40.586 38.460 0.071 0.000 1.132 421 Y HN 0.733 nan 8.280 nan 0.000 0.469 422 S N 2.468 118.264 115.700 0.159 0.000 2.537 422 S HA 0.473 4.943 4.470 0.000 0.000 0.270 422 S C -0.058 174.570 174.600 0.046 0.000 1.142 422 S CA -0.779 57.492 58.200 0.119 0.000 0.870 422 S CB 1.675 64.868 63.200 -0.012 0.000 1.112 422 S HN 0.699 nan 8.310 nan 0.000 0.466 423 R N 1.473 122.001 120.500 0.047 0.000 2.223 423 R HA 0.299 4.639 4.340 0.000 0.000 0.198 423 R C -0.259 176.045 176.300 0.008 0.000 0.984 423 R CA 0.548 56.669 56.100 0.034 0.000 1.018 423 R CB -0.175 30.155 30.300 0.050 0.000 0.945 423 R HN 0.718 nan 8.270 nan 0.000 0.479 424 D N 0.194 120.583 120.400 -0.018 0.000 2.336 424 D HA -0.014 4.626 4.640 0.000 0.000 0.249 424 D C 1.473 177.765 176.300 -0.014 0.000 1.213 424 D CA -0.070 53.914 54.000 -0.027 0.000 0.870 424 D CB 0.469 41.233 40.800 -0.059 0.000 1.076 424 D HN -0.049 nan 8.370 nan 0.000 0.483 425 I N 4.240 124.823 120.570 0.022 0.000 2.145 425 I HA -0.220 3.950 4.170 0.000 0.000 0.244 425 I C 1.694 177.882 176.117 0.119 0.000 1.075 425 I CA 1.889 63.241 61.300 0.086 0.000 1.332 425 I CB -0.824 37.220 38.000 0.074 0.000 1.033 425 I HN 0.632 nan 8.210 nan 0.000 0.410 426 G N 0.668 109.487 108.800 0.032 0.000 2.459 426 G HA2 -0.337 3.623 3.960 0.000 0.000 0.217 426 G HA3 -0.337 3.623 3.960 0.000 0.000 0.217 426 G C 1.857 176.773 174.900 0.026 0.000 1.183 426 G CA 0.991 46.100 45.100 0.015 0.000 0.776 426 G HN 0.444 nan 8.290 nan 0.000 0.552 427 R N -0.138 120.329 120.500 -0.055 0.000 2.083 427 R HA -0.062 4.278 4.340 0.000 0.000 0.237 427 R C 2.644 178.867 176.300 -0.128 0.000 1.137 427 R CA 1.670 57.671 56.100 -0.165 0.000 0.951 427 R CB -0.557 29.535 30.300 -0.348 0.000 0.851 427 R HN 0.229 nan 8.270 nan 0.000 0.434 428 V N -0.043 119.829 119.914 -0.070 0.000 2.324 428 V HA -0.276 3.844 4.120 0.000 0.000 0.250 428 V C 1.856 177.921 176.094 -0.049 0.000 1.060 428 V CA 2.074 64.334 62.300 -0.066 0.000 1.042 428 V CB -0.545 31.247 31.823 -0.051 0.000 0.650 428 V HN 0.462 nan 8.190 nan 0.000 0.450 429 W N 0.134 121.381 121.300 -0.088 0.000 2.418 429 W HA -0.036 4.624 4.660 0.000 0.000 0.319 429 W C 2.796 179.277 176.519 -0.064 0.000 1.183 429 W CA 1.261 58.565 57.345 -0.069 0.000 1.327 429 W CB -0.529 28.897 29.460 -0.058 0.000 1.163 429 W HN -0.014 nan 8.180 nan 0.000 0.479 430 R N -0.172 120.447 120.500 0.198 0.000 2.133 430 R HA -0.200 4.140 4.340 0.000 0.000 0.247 430 R C 1.735 178.060 176.300 0.040 0.000 1.151 430 R CA 1.888 58.045 56.100 0.094 0.000 0.971 430 R CB -1.162 29.166 30.300 0.046 0.000 0.866 430 R HN 0.188 nan 8.270 nan 0.000 0.447 431 V N 0.479 120.398 119.914 0.008 0.000 2.346 431 V HA -0.136 3.984 4.120 0.000 0.000 0.244 431 V C 2.475 178.541 176.094 -0.047 0.000 1.037 431 V CA 1.637 63.934 62.300 -0.005 0.000 1.029 431 V CB -0.670 31.169 31.823 0.027 0.000 0.663 431 V HN 0.366 nan 8.190 nan 0.000 0.454 432 A N -0.006 122.756 122.820 -0.096 0.000 1.873 432 A HA -0.308 4.012 4.320 0.000 0.000 0.218 432 A C 2.162 179.676 177.584 -0.117 0.000 1.193 432 A CA 2.309 54.245 52.037 -0.167 0.000 0.629 432 A CB -0.611 18.197 19.000 -0.320 0.000 0.826 432 A HN 0.622 nan 8.150 nan 0.000 0.447 433 E N -0.670 119.495 120.200 -0.059 0.000 2.110 433 E HA -0.094 4.256 4.350 0.000 0.000 0.193 433 E C 2.253 178.845 176.600 -0.012 0.000 0.988 433 E CA 0.882 57.276 56.400 -0.011 0.000 0.804 433 E CB -0.253 29.493 29.700 0.078 0.000 0.745 433 E HN 0.638 nan 8.360 nan 0.000 0.458 434 A N 1.081 123.895 122.820 -0.010 0.000 2.014 434 A HA -0.026 4.294 4.320 0.000 0.000 0.218 434 A C 1.221 178.793 177.584 -0.021 0.000 1.163 434 A CA 0.269 52.297 52.037 -0.015 0.000 0.652 434 A CB -0.332 18.661 19.000 -0.011 0.000 0.808 434 A HN 0.088 nan 8.150 nan 0.000 0.449 435 L N 1.384 122.597 121.223 -0.016 0.000 2.534 435 L HA 0.027 4.367 4.340 0.000 0.000 0.271 435 L C 0.111 177.024 176.870 0.072 0.000 1.178 435 L CA -0.041 54.827 54.840 0.046 0.000 0.907 435 L CB 0.386 42.453 42.059 0.012 0.000 1.164 435 L HN 0.348 nan 8.230 nan 0.000 0.482 436 E N 4.628 124.850 120.200 0.037 0.000 2.110 436 E HA 0.182 4.532 4.350 0.000 0.000 0.300 436 E C -1.378 174.992 176.600 -0.384 0.000 1.278 436 E CA -0.005 56.302 56.400 -0.156 0.000 1.365 436 E CB 0.085 29.648 29.700 -0.229 0.000 1.283 436 E HN 0.361 nan 8.360 nan 0.000 0.490 437 Y N -1.596 118.621 120.300 -0.139 0.000 2.534 437 Y HA 0.302 4.852 4.550 0.000 0.000 0.345 437 Y C 1.292 177.084 175.900 -0.179 0.000 1.031 437 Y CA -1.065 56.939 58.100 -0.160 0.000 1.022 437 Y CB 1.771 40.115 38.460 -0.193 0.000 1.292 437 Y HN 0.234 nan 8.280 nan 0.000 0.459 438 G N 1.300 110.066 108.800 -0.057 0.000 2.484 438 G HA2 0.061 4.021 3.960 0.000 0.000 0.218 438 G HA3 0.061 4.021 3.960 0.000 0.000 0.218 438 G C 0.072 174.875 174.900 -0.162 0.000 1.130 438 G CA 0.498 45.517 45.100 -0.135 0.000 0.784 438 G HN 0.431 nan 8.290 nan 0.000 0.543 439 M N 0.244 119.743 119.600 -0.167 0.000 2.324 439 M HA 0.435 4.915 4.480 0.000 0.000 0.288 439 M C -1.761 174.374 176.300 -0.274 0.000 1.097 439 M CA -0.513 54.655 55.300 -0.219 0.000 0.928 439 M CB 3.463 35.901 32.600 -0.270 0.000 1.648 439 M HN -0.253 nan 8.290 nan 0.000 0.460 440 V N 1.504 121.256 119.914 -0.271 0.000 2.483 440 V HA 0.638 4.758 4.120 0.000 0.000 0.297 440 V C 0.328 176.245 176.094 -0.295 0.000 1.027 440 V CA -0.863 61.236 62.300 -0.334 0.000 0.855 440 V CB 1.747 33.402 31.823 -0.281 0.000 0.995 440 V HN 1.010 nan 8.190 nan 0.000 0.424 441 G N 4.847 113.442 108.800 -0.342 0.000 2.360 441 G HA2 0.564 4.524 3.960 0.000 0.000 0.279 441 G HA3 0.564 4.524 3.960 0.000 0.000 0.279 441 G C -0.439 174.353 174.900 -0.179 0.000 1.189 441 G CA -0.224 44.803 45.100 -0.122 0.000 0.941 441 G HN 0.672 nan 8.290 nan 0.000 0.445 442 I N 3.019 123.462 120.570 -0.211 0.000 2.337 442 I HA 0.126 4.296 4.170 0.000 0.000 0.285 442 I C -0.054 175.839 176.117 -0.374 0.000 1.041 442 I CA -0.706 60.426 61.300 -0.281 0.000 1.199 442 I CB 0.950 38.803 38.000 -0.246 0.000 1.370 442 I HN 0.506 nan 8.210 nan 0.000 0.470 443 N N 2.295 120.562 118.700 -0.722 0.000 2.741 443 N HA -0.180 4.560 4.740 0.000 0.000 0.250 443 N C -0.087 174.976 175.510 -0.745 0.000 1.115 443 N CA 1.350 53.700 53.050 -1.167 0.000 0.724 443 N CB -0.996 37.204 38.487 -0.479 0.000 1.090 443 N HN 0.738 nan 8.380 nan 0.000 0.558 444 T N -3.318 110.982 114.554 -0.424 0.000 2.894 444 T HA 0.629 4.979 4.350 0.000 0.000 0.309 444 T C 0.857 175.755 174.700 0.331 0.000 1.208 444 T CA 0.110 62.270 62.100 0.099 0.000 1.016 444 T CB 1.704 70.610 68.868 0.063 0.000 1.192 444 T HN 0.054 nan 8.240 nan 0.000 0.491 445 G N 1.672 110.670 108.800 0.330 0.000 3.044 445 G HA2 0.369 4.329 3.960 0.000 0.000 0.223 445 G HA3 0.369 4.329 3.960 0.000 0.000 0.223 445 G C -0.010 174.940 174.900 0.084 0.000 1.123 445 G CA -0.142 45.035 45.100 0.128 0.000 0.765 445 G HN 0.606 nan 8.290 nan 0.000 0.546 446 L N 1.613 122.931 121.223 0.158 0.000 2.343 446 L HA 0.490 4.830 4.340 0.000 0.000 0.278 446 L C 0.455 177.402 176.870 0.129 0.000 0.996 446 L CA -0.661 54.256 54.840 0.129 0.000 0.831 446 L CB 1.823 43.925 42.059 0.072 0.000 1.232 446 L HN 0.238 nan 8.230 nan 0.000 0.413 447 I N -2.210 118.449 120.570 0.149 0.000 4.338 447 I HA 0.294 4.464 4.170 0.000 0.000 0.329 447 I C 0.318 176.484 176.117 0.082 0.000 1.378 447 I CA -0.043 61.318 61.300 0.102 0.000 1.170 447 I CB 1.067 39.125 38.000 0.098 0.000 1.206 447 I HN 0.290 nan 8.210 nan 0.000 0.432 448 S N 2.897 118.636 115.700 0.065 0.000 2.513 448 S HA 0.565 5.035 4.470 0.000 0.000 0.276 448 S C -0.391 174.201 174.600 -0.015 0.000 1.254 448 S CA -0.382 57.855 58.200 0.061 0.000 1.053 448 S CB 0.599 63.781 63.200 -0.031 0.000 0.958 448 S HN 0.775 nan 8.310 nan 0.000 0.491 449 N N 0.340 119.088 118.700 0.079 0.000 3.179 449 N HA 0.193 4.933 4.740 0.000 0.000 0.250 449 N C 0.049 175.455 175.510 -0.174 0.000 1.507 449 N CA -0.916 52.130 53.050 -0.007 0.000 0.883 449 N CB 0.456 38.880 38.487 -0.105 0.000 1.435 449 N HN 0.358 nan 8.380 nan 0.000 0.532 450 E N -0.217 119.625 120.200 -0.596 0.000 2.435 450 E HA -0.051 4.299 4.350 0.000 0.000 0.195 450 E C 0.836 176.739 176.600 -1.161 0.000 1.029 450 E CA 1.007 56.705 56.400 -1.171 0.000 0.865 450 E CB 0.095 28.942 29.700 -1.421 0.000 0.833 450 E HN 0.468 nan 8.360 nan 0.000 0.510 451 V N -0.449 118.943 119.914 -0.870 0.000 3.644 451 V HA 0.476 4.596 4.120 0.000 0.000 0.267 451 V C 0.778 176.683 176.094 -0.316 0.000 1.277 451 V CA 0.323 62.098 62.300 -0.874 0.000 1.096 451 V CB 0.104 31.496 31.823 -0.718 0.000 0.828 451 V HN 0.274 nan 8.190 nan 0.000 0.446 452 A N 2.098 124.815 122.820 -0.172 0.000 2.309 452 A HA 0.799 5.119 4.320 0.000 0.000 0.298 452 A C -2.707 174.934 177.584 0.095 0.000 1.165 452 A CA -1.764 50.271 52.037 -0.003 0.000 0.821 452 A CB 0.311 19.323 19.000 0.019 0.000 1.102 452 A HN 0.396 nan 8.150 nan 0.000 0.500 453 P HA 0.172 nan 4.420 nan 0.000 0.274 453 P C -0.868 176.505 177.300 0.122 0.000 1.291 453 P CA 0.281 63.471 63.100 0.150 0.000 0.815 453 P CB -0.131 31.595 31.700 0.044 0.000 0.897 454 F N 4.211 124.190 119.950 0.049 0.000 2.420 454 F HA 0.623 5.150 4.527 0.000 0.000 0.352 454 F C 0.776 176.575 175.800 -0.002 0.000 1.108 454 F CA 0.932 58.947 58.000 0.025 0.000 1.162 454 F CB 0.751 39.787 39.000 0.060 0.000 1.118 454 F HN 0.532 nan 8.300 nan 0.000 0.510 455 G N 2.803 111.311 108.800 -0.485 0.000 2.316 455 G HA2 0.454 4.414 3.960 0.000 0.000 0.296 455 G HA3 0.454 4.414 3.960 0.000 0.000 0.296 455 G C -1.483 173.216 174.900 -0.336 0.000 1.399 455 G CA -0.290 44.619 45.100 -0.319 0.000 0.833 455 G HN 1.005 nan 8.290 nan 0.000 0.565 456 G N -1.728 106.949 108.800 -0.206 0.000 2.788 456 G HA2 0.962 4.922 3.960 0.000 0.000 0.293 456 G HA3 0.962 4.922 3.960 0.000 0.000 0.293 456 G C -0.093 174.735 174.900 -0.119 0.000 1.305 456 G CA 0.186 45.190 45.100 -0.159 0.000 1.005 456 G HN 1.872 nan 8.290 nan 0.000 0.496 457 V N -2.730 117.107 119.914 -0.127 0.000 3.234 457 V HA 0.829 4.949 4.120 0.000 0.000 0.317 457 V C 0.861 176.888 176.094 -0.111 0.000 1.147 457 V CA -0.187 62.041 62.300 -0.121 0.000 1.037 457 V CB 0.976 32.713 31.823 -0.143 0.000 1.148 457 V HN 1.074 nan 8.190 nan 0.000 0.455 458 K N -1.049 119.288 120.400 -0.105 0.000 1.795 458 K HA -0.253 4.067 4.320 0.000 0.000 0.138 458 K C 1.182 177.751 176.600 -0.053 0.000 1.027 458 K CA 1.998 58.224 56.287 -0.101 0.000 0.303 458 K CB -1.359 31.047 32.500 -0.156 0.000 0.699 458 K HN 0.786 nan 8.250 nan 0.000 0.789 459 Q N 0.449 120.228 119.800 -0.034 0.000 2.360 459 Q HA 0.170 4.510 4.340 0.000 0.000 0.202 459 Q C 0.903 177.029 176.000 0.209 0.000 0.915 459 Q CA 0.624 56.464 55.803 0.060 0.000 0.943 459 Q CB 0.898 29.617 28.738 -0.031 0.000 1.064 459 Q HN 0.377 nan 8.270 nan 0.000 0.511 460 S N 0.193 115.978 115.700 0.142 0.000 2.650 460 S HA 0.279 4.749 4.470 0.000 0.000 0.219 460 S C 0.925 175.555 174.600 0.050 0.000 0.960 460 S CA 0.440 58.699 58.200 0.100 0.000 0.925 460 S CB 0.121 63.338 63.200 0.028 0.000 0.775 460 S HN 0.605 nan 8.310 nan 0.000 0.525 461 G N 0.932 109.761 108.800 0.049 0.000 2.582 461 G HA2 -0.128 3.832 3.960 0.000 0.000 0.222 461 G HA3 -0.128 3.832 3.960 0.000 0.000 0.222 461 G C -1.039 173.865 174.900 0.006 0.000 1.311 461 G CA -0.861 44.264 45.100 0.042 0.000 0.915 461 G HN 0.326 nan 8.290 nan 0.000 0.528 462 L N 0.379 121.608 121.223 0.010 0.000 2.319 462 L HA 0.837 5.177 4.340 0.000 0.000 0.267 462 L C 1.133 177.997 176.870 -0.010 0.000 1.011 462 L CA -0.176 54.658 54.840 -0.009 0.000 0.818 462 L CB 1.301 43.355 42.059 -0.008 0.000 1.316 462 L HN 2.651 nan 8.230 nan 0.000 0.432 463 G N 0.896 109.683 108.800 -0.022 0.000 2.860 463 G HA2 -0.108 3.852 3.960 0.000 0.000 0.553 463 G HA3 -0.108 3.852 3.960 0.000 0.000 0.553 463 G C -1.085 173.815 174.900 0.001 0.000 1.439 463 G CA -0.839 44.252 45.100 -0.014 0.000 0.879 463 G HN 0.520 nan 8.290 nan 0.000 0.545 464 R N 0.479 120.999 120.500 0.034 0.000 2.628 464 R HA 0.526 4.867 4.340 0.000 0.000 0.288 464 R C -0.182 176.225 176.300 0.177 0.000 0.980 464 R CA -0.695 55.451 56.100 0.078 0.000 0.891 464 R CB 1.893 32.201 30.300 0.013 0.000 1.188 464 R HN 0.758 nan 8.270 nan 0.000 0.450 465 E N 0.126 120.471 120.200 0.241 0.000 2.222 465 E HA 0.625 4.975 4.350 0.000 0.000 0.267 465 E C -0.073 176.756 176.600 0.381 0.000 0.963 465 E CA -0.596 55.979 56.400 0.293 0.000 0.837 465 E CB 1.865 31.673 29.700 0.181 0.000 1.183 465 E HN 0.749 nan 8.360 nan 0.000 0.403 466 G N 1.462 110.582 108.800 0.534 0.000 2.829 466 G HA2 -0.101 3.859 3.960 0.000 0.000 0.628 466 G HA3 -0.101 3.859 3.960 0.000 0.000 0.628 466 G C 0.026 175.115 174.900 0.315 0.000 1.412 466 G CA -0.125 45.263 45.100 0.480 0.000 0.864 466 G HN 1.532 nan 8.290 nan 0.000 0.544 467 S N -2.419 113.275 115.700 -0.009 0.000 3.460 467 S HA -0.241 4.229 4.470 0.000 0.000 0.637 467 S C 1.032 175.933 174.600 0.501 0.000 2.505 467 S CA 1.971 60.262 58.200 0.151 0.000 2.686 467 S CB -1.070 62.285 63.200 0.258 0.000 0.330 467 S HN 2.869 nan 8.310 nan 0.000 1.795 468 H N 0.279 119.554 119.070 0.342 0.000 2.559 468 H HA 0.259 4.815 4.556 0.000 0.000 0.273 468 H C 1.325 176.699 175.328 0.076 0.000 1.000 468 H CA 1.449 57.604 56.048 0.179 0.000 1.195 468 H CB -0.416 29.344 29.762 -0.004 0.000 1.368 468 H HN 0.579 nan 8.280 nan 0.000 0.592 469 Y N 0.151 120.336 120.300 -0.191 0.000 2.517 469 Y HA 0.229 4.779 4.550 0.000 0.000 0.281 469 Y C 2.657 178.623 175.900 0.110 0.000 1.125 469 Y CA 0.609 58.616 58.100 -0.155 0.000 1.283 469 Y CB 0.091 38.468 38.460 -0.138 0.000 1.042 469 Y HN 0.465 nan 8.280 nan 0.000 0.547 470 G N -0.274 108.787 108.800 0.434 0.000 2.484 470 G HA2 -0.184 3.776 3.960 0.000 0.000 0.218 470 G HA3 -0.184 3.776 3.960 0.000 0.000 0.218 470 G C 1.523 176.699 174.900 0.460 0.000 1.130 470 G CA 0.637 46.036 45.100 0.499 0.000 0.784 470 G HN 0.487 nan 8.290 nan 0.000 0.543 471 I N -0.529 120.312 120.570 0.452 0.000 3.427 471 I HA 0.097 4.267 4.170 0.000 0.000 0.288 471 I C 1.458 177.763 176.117 0.313 0.000 1.249 471 I CA 0.309 61.831 61.300 0.370 0.000 1.421 471 I CB 0.225 38.435 38.000 0.349 0.000 1.086 471 I HN -0.049 nan 8.210 nan 0.000 0.448 472 D N 1.118 121.659 120.400 0.235 0.000 2.219 472 D HA -0.171 4.469 4.640 0.000 0.000 0.205 472 D C 1.265 177.630 176.300 0.109 0.000 0.970 472 D CA 1.032 55.128 54.000 0.159 0.000 0.851 472 D CB -0.050 40.829 40.800 0.131 0.000 0.943 472 D HN 0.461 nan 8.370 nan 0.000 0.488 473 D N -0.162 120.277 120.400 0.064 0.000 2.264 473 D HA -0.118 4.522 4.640 0.000 0.000 0.208 473 D C 1.191 177.364 176.300 -0.212 0.000 0.966 473 D CA 0.667 54.594 54.000 -0.121 0.000 0.864 473 D CB 0.039 40.681 40.800 -0.264 0.000 0.933 473 D HN 0.396 nan 8.370 nan 0.000 0.499 474 Y N 0.333 120.648 120.300 0.025 0.000 2.466 474 Y HA 0.073 4.623 4.550 0.000 0.000 0.272 474 Y C 0.966 176.889 175.900 0.037 0.000 1.169 474 Y CA -0.349 57.757 58.100 0.010 0.000 1.285 474 Y CB 0.476 38.931 38.460 -0.009 0.000 1.078 474 Y HN -0.208 nan 8.280 nan 0.000 0.523 475 V N -2.760 117.255 119.914 0.167 0.000 2.919 475 V HA 0.779 4.899 4.120 0.000 0.000 0.316 475 V C -0.585 175.568 176.094 0.099 0.000 1.077 475 V CA -1.198 61.186 62.300 0.140 0.000 0.977 475 V CB 2.034 33.942 31.823 0.141 0.000 1.039 475 V HN -0.278 nan 8.190 nan 0.000 0.441 476 V N 3.424 123.401 119.914 0.105 0.000 2.769 476 V HA 0.612 4.732 4.120 0.000 0.000 0.312 476 V C -0.312 175.836 176.094 0.090 0.000 1.061 476 V CA -0.553 61.801 62.300 0.089 0.000 0.931 476 V CB 1.908 33.789 31.823 0.097 0.000 1.010 476 V HN 1.068 nan 8.190 nan 0.000 0.433 477 I N 2.687 123.306 120.570 0.081 0.000 2.441 477 I HA 0.656 4.826 4.170 0.000 0.000 0.295 477 I C -0.648 175.525 176.117 0.094 0.000 0.994 477 I CA -0.372 60.979 61.300 0.084 0.000 1.144 477 I CB 1.252 39.299 38.000 0.077 0.000 1.314 477 I HN 0.630 nan 8.210 nan 0.000 0.445 478 K N 6.283 126.741 120.400 0.097 0.000 2.358 478 K HA 0.291 4.611 4.320 0.000 0.000 0.260 478 K C -1.836 174.849 176.600 0.143 0.000 0.956 478 K CA -0.714 55.634 56.287 0.100 0.000 0.834 478 K CB 1.303 33.840 32.500 0.063 0.000 1.102 478 K HN 0.711 nan 8.250 nan 0.000 0.431 479 Y N 5.883 126.196 120.300 0.022 0.000 2.341 479 Y HA 0.365 4.915 4.550 0.000 0.000 0.340 479 Y C -1.535 174.373 175.900 0.014 0.000 0.997 479 Y CA -0.922 57.189 58.100 0.018 0.000 1.149 479 Y CB 0.647 39.117 38.460 0.018 0.000 1.171 479 Y HN 0.463 nan 8.280 nan 0.000 0.494 480 L N 7.687 128.816 121.223 -0.157 0.000 2.280 480 L HA 0.377 4.717 4.340 0.000 0.000 0.287 480 L C -0.612 176.034 176.870 -0.374 0.000 1.023 480 L CA -0.705 53.965 54.840 -0.283 0.000 0.819 480 L CB 1.202 43.204 42.059 -0.096 0.000 1.212 480 L HN 0.762 nan 8.230 nan 0.000 0.420 481 C N 5.323 124.297 119.300 -0.543 0.000 2.239 481 C HA 0.618 5.078 4.460 0.000 0.000 0.325 481 C C 0.139 175.048 174.990 -0.135 0.000 1.231 481 C CA -0.408 58.431 59.018 -0.298 0.000 1.652 481 C CB 0.087 27.626 27.740 -0.334 0.000 2.284 481 C HN 0.573 nan 8.230 nan 0.000 0.499 482 V N 7.125 127.005 119.914 -0.056 0.000 2.357 482 V HA 0.558 4.678 4.120 0.000 0.000 0.284 482 V C 0.867 176.952 176.094 -0.015 0.000 1.018 482 V CA -0.382 61.896 62.300 -0.037 0.000 0.841 482 V CB 0.948 32.757 31.823 -0.023 0.000 0.991 482 V HN 1.079 nan 8.190 nan 0.000 0.437 483 A N 4.727 127.537 122.820 -0.017 0.000 2.483 483 A HA 0.595 4.915 4.320 0.000 0.000 0.238 483 A C -0.040 177.541 177.584 -0.005 0.000 1.070 483 A CA 0.174 52.207 52.037 -0.007 0.000 0.770 483 A CB 0.798 19.793 19.000 -0.009 0.000 1.008 483 A HN 0.735 nan 8.150 nan 0.000 0.497 484 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 0.000 0.000 1.235 484 V CB 0.000 31.826 31.823 0.004 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556