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_5 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 0.000 174.875 174.900 -0.041 0.000 0.946 3 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 4 S N -0.868 114.807 115.700 -0.042 0.000 2.865 4 S HA 0.464 4.934 4.470 -0.000 0.000 0.229 4 S C -0.202 174.380 174.600 -0.029 0.000 0.759 4 S CA -0.362 57.818 58.200 -0.033 0.000 1.142 4 S CB -0.522 62.657 63.200 -0.035 0.000 1.380 4 S HN 0.162 nan 8.310 nan 0.000 0.525 5 M N 0.841 120.423 119.600 -0.030 0.000 2.631 5 M HA 0.532 5.011 4.480 -0.000 0.000 0.288 5 M C 0.377 176.668 176.300 -0.015 0.000 1.260 5 M CA -0.741 54.545 55.300 -0.024 0.000 0.842 5 M CB 1.949 34.531 32.600 -0.031 0.000 1.743 5 M HN -0.101 nan 8.290 nan 0.000 0.461 6 K N 0.200 120.595 120.400 -0.008 0.000 2.209 6 K HA -0.102 4.218 4.320 -0.000 0.000 0.204 6 K C -0.318 176.283 176.600 0.002 0.000 1.048 6 K CA 1.146 57.432 56.287 -0.003 0.000 0.940 6 K CB 0.065 32.565 32.500 -0.000 0.000 0.729 6 K HN 0.403 nan 8.250 nan 0.000 0.451 7 D N -1.362 119.040 120.400 0.003 0.000 2.323 7 D HA 0.147 4.787 4.640 -0.000 0.000 0.242 7 D C -2.435 173.864 176.300 -0.002 0.000 1.347 7 D CA -2.018 51.990 54.000 0.013 0.000 0.988 7 D CB 1.492 42.315 40.800 0.039 0.000 1.314 7 D HN -0.257 nan 8.370 nan 0.000 0.564 8 P HA -0.049 nan 4.420 nan 0.000 0.229 8 P C 1.241 178.488 177.300 -0.089 0.000 1.160 8 P CA 0.562 63.629 63.100 -0.056 0.000 0.777 8 P CB 0.202 31.871 31.700 -0.052 0.000 0.814 9 S N -0.651 115.006 115.700 -0.071 0.000 2.474 9 S HA -0.089 4.381 4.470 -0.000 0.000 0.235 9 S C 1.820 176.274 174.600 -0.244 0.000 0.997 9 S CA 0.722 58.823 58.200 -0.166 0.000 0.949 9 S CB -1.587 61.569 63.200 -0.073 0.000 0.766 9 S HN 0.104 nan 8.310 nan 0.000 0.517 10 L N 0.011 121.202 121.223 -0.054 0.000 2.265 10 L HA 0.150 4.490 4.340 -0.000 0.000 0.215 10 L C 0.876 177.683 176.870 -0.105 0.000 1.117 10 L CA 0.390 55.238 54.840 0.013 0.000 0.782 10 L CB -0.303 41.799 42.059 0.072 0.000 0.914 10 L HN 0.333 nan 8.230 nan 0.000 0.441 11 L N 1.213 122.319 121.223 -0.194 0.000 2.260 11 L HA 0.254 4.594 4.340 -0.000 0.000 0.289 11 L C -0.104 176.545 176.870 -0.368 0.000 1.057 11 L CA 0.106 54.773 54.840 -0.288 0.000 0.811 11 L CB 0.280 42.107 42.059 -0.386 0.000 1.184 11 L HN -0.013 nan 8.230 nan 0.000 0.429 12 R N 4.313 124.632 120.500 -0.302 0.000 2.532 12 R HA 0.379 4.719 4.340 -0.000 0.000 0.295 12 R C -0.053 176.091 176.300 -0.260 0.000 0.968 12 R CA -0.613 55.268 56.100 -0.365 0.000 0.916 12 R CB 1.151 31.184 30.300 -0.444 0.000 1.124 12 R HN 0.662 nan 8.270 nan 0.000 0.463 13 H N 0.062 119.108 119.070 -0.039 0.000 2.755 13 H HA 0.233 4.789 4.556 -0.000 0.000 0.273 13 H C -0.067 175.263 175.328 0.002 0.000 1.055 13 H CA 0.097 56.163 56.048 0.030 0.000 1.191 13 H CB 1.546 31.306 29.762 -0.003 0.000 1.536 13 H HN 0.400 nan 8.280 nan 0.000 0.529 14 Q N 0.238 120.102 119.800 0.107 0.000 2.215 14 Q HA 0.641 4.981 4.340 -0.000 0.000 0.256 14 Q C -0.347 175.864 176.000 0.352 0.000 0.972 14 Q CA -0.766 55.155 55.803 0.197 0.000 0.889 14 Q CB 2.602 31.483 28.738 0.237 0.000 1.281 14 Q HN 0.207 nan 8.270 nan 0.000 0.456 15 A N 0.813 123.813 122.820 0.300 0.000 2.242 15 A HA 0.407 4.727 4.320 -0.000 0.000 0.304 15 A C -1.611 176.120 177.584 0.244 0.000 1.100 15 A CA -0.188 52.014 52.037 0.274 0.000 0.860 15 A CB 0.489 19.557 19.000 0.115 0.000 1.168 15 A HN 0.673 nan 8.150 nan 0.000 0.503 16 Y N 1.196 121.374 120.300 -0.204 0.000 2.464 16 Y HA 0.495 5.045 4.550 -0.000 0.000 0.326 16 Y C -0.947 174.745 175.900 -0.346 0.000 0.969 16 Y CA -1.321 56.407 58.100 -0.620 0.000 1.270 16 Y CB 0.875 38.774 38.460 -0.934 0.000 1.103 16 Y HN 0.357 nan 8.280 nan 0.000 0.491 17 I N 5.369 125.650 120.570 -0.481 0.000 2.390 17 I HA 0.305 4.475 4.170 -0.000 0.000 0.283 17 I C 0.910 176.758 176.117 -0.448 0.000 1.016 17 I CA -0.569 60.520 61.300 -0.351 0.000 1.151 17 I CB 0.823 38.715 38.000 -0.180 0.000 1.293 17 I HN 0.873 nan 8.210 nan 0.000 0.458 18 G N 4.796 113.320 108.800 -0.459 0.000 2.305 18 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.287 18 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.287 18 G C 1.032 175.633 174.900 -0.498 0.000 1.036 18 G CA 0.795 45.658 45.100 -0.394 0.000 0.887 18 G HN 1.535 nan 8.290 nan 0.000 0.505 19 G N -1.843 106.407 108.800 -0.918 0.000 2.195 19 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.246 19 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.246 19 G C 0.056 174.557 174.900 -0.665 0.000 0.984 19 G CA 0.959 45.561 45.100 -0.831 0.000 0.633 19 G HN 1.109 nan 8.290 nan 0.000 0.525 20 E N -0.471 119.338 120.200 -0.651 0.000 2.183 20 E HA 0.589 4.939 4.350 -0.000 0.000 0.271 20 E C -0.533 175.866 176.600 -0.335 0.000 0.919 20 E CA -0.919 55.288 56.400 -0.321 0.000 0.781 20 E CB 0.483 30.090 29.700 -0.155 0.000 1.140 20 E HN 0.282 nan 8.360 nan 0.000 0.402 21 W N 3.210 124.575 121.300 0.110 0.000 2.446 21 W HA 0.243 4.903 4.660 -0.000 0.000 0.316 21 W C 0.311 176.858 176.519 0.047 0.000 1.376 21 W CA -0.126 57.295 57.345 0.126 0.000 1.300 21 W CB 0.508 30.037 29.460 0.114 0.000 1.351 21 W HN 0.225 nan 8.180 nan 0.000 0.530 22 Q N 2.217 122.153 119.800 0.227 0.000 2.421 22 Q HA 0.727 5.067 4.340 -0.000 0.000 0.280 22 Q C -0.456 175.616 176.000 0.120 0.000 1.085 22 Q CA -1.069 54.806 55.803 0.120 0.000 0.807 22 Q CB 2.423 31.180 28.738 0.032 0.000 1.405 22 Q HN 0.534 nan 8.270 nan 0.000 0.419 23 A N 0.900 123.769 122.820 0.081 0.000 2.252 23 A HA 0.819 5.138 4.320 -0.000 0.000 0.305 23 A C -0.326 177.283 177.584 0.041 0.000 1.097 23 A CA -0.204 51.868 52.037 0.059 0.000 0.849 23 A CB 0.489 19.515 19.000 0.045 0.000 1.142 23 A HN 0.772 nan 8.150 nan 0.000 0.499 24 A N 0.040 122.881 122.820 0.035 0.000 2.483 24 A HA 0.300 4.620 4.320 -0.000 0.000 0.238 24 A C 0.614 178.213 177.584 0.026 0.000 1.070 24 A CA 0.201 52.257 52.037 0.032 0.000 0.770 24 A CB -0.143 18.881 19.000 0.040 0.000 1.008 24 A HN 0.765 nan 8.150 nan 0.000 0.497 25 D N 1.156 121.569 120.400 0.021 0.000 2.190 25 D HA -0.142 4.498 4.640 -0.000 0.000 0.200 25 D C 1.910 178.221 176.300 0.017 0.000 0.992 25 D CA 2.201 56.211 54.000 0.016 0.000 0.854 25 D CB -0.144 40.662 40.800 0.011 0.000 0.936 25 D HN 0.649 nan 8.370 nan 0.000 0.462 26 S N -0.607 115.106 115.700 0.021 0.000 2.597 26 S HA 0.086 4.555 4.470 -0.000 0.000 0.224 26 S C 0.507 175.121 174.600 0.024 0.000 0.955 26 S CA 0.202 58.415 58.200 0.022 0.000 0.933 26 S CB 0.427 63.642 63.200 0.024 0.000 0.788 26 S HN -0.000 nan 8.310 nan 0.000 0.488 27 D N 0.848 121.262 120.400 0.023 0.000 3.018 27 D HA -0.208 4.432 4.640 -0.000 0.000 0.224 27 D C 0.306 176.622 176.300 0.026 0.000 1.185 27 D CA 0.902 54.915 54.000 0.022 0.000 0.858 27 D CB -1.407 39.402 40.800 0.016 0.000 1.112 27 D HN 0.853 nan 8.370 nan 0.000 0.415 28 A N 0.098 122.941 122.820 0.038 0.000 2.511 28 A HA 0.492 4.812 4.320 -0.000 0.000 0.242 28 A C 0.846 178.465 177.584 0.058 0.000 1.069 28 A CA 0.909 52.979 52.037 0.056 0.000 0.763 28 A CB 0.373 19.416 19.000 0.072 0.000 1.001 28 A HN 0.556 nan 8.150 nan 0.000 0.498 29 T N -0.288 114.303 114.554 0.063 0.000 2.903 29 T HA 0.738 5.087 4.350 -0.000 0.000 0.299 29 T C -0.579 174.188 174.700 0.113 0.000 1.093 29 T CA -0.581 61.530 62.100 0.018 0.000 1.002 29 T CB 1.301 70.148 68.868 -0.035 0.000 1.127 29 T HN 1.206 nan 8.240 nan 0.000 0.488 30 F N -0.861 119.090 119.950 0.001 0.000 2.563 30 F HA 0.820 5.347 4.527 -0.000 0.000 0.316 30 F C -0.225 175.551 175.800 -0.040 0.000 1.076 30 F CA -1.335 56.663 58.000 -0.003 0.000 0.921 30 F CB 1.474 40.481 39.000 0.011 0.000 1.209 30 F HN 0.775 nan 8.300 nan 0.000 0.462 31 E N 1.837 122.102 120.200 0.108 0.000 2.283 31 E HA 0.530 4.880 4.350 -0.000 0.000 0.278 31 E C -1.308 175.156 176.600 -0.227 0.000 1.027 31 E CA -0.779 55.519 56.400 -0.169 0.000 0.843 31 E CB 1.532 31.043 29.700 -0.315 0.000 1.062 31 E HN 0.637 nan 8.360 nan 0.000 0.401 32 V N 4.772 124.519 119.914 -0.279 0.000 2.483 32 V HA 0.413 4.533 4.120 -0.000 0.000 0.295 32 V C -0.582 175.320 176.094 -0.319 0.000 1.035 32 V CA -0.647 61.573 62.300 -0.134 0.000 0.896 32 V CB 0.781 32.665 31.823 0.102 0.000 0.986 32 V HN 0.515 nan 8.190 nan 0.000 0.447 33 F N 1.130 121.155 119.950 0.126 0.000 2.522 33 F HA 0.426 4.953 4.527 -0.000 0.000 0.324 33 F C 0.414 176.245 175.800 0.052 0.000 1.077 33 F CA -0.855 57.193 58.000 0.080 0.000 0.944 33 F CB 1.204 40.240 39.000 0.060 0.000 1.175 33 F HN 0.427 nan 8.300 nan 0.000 0.468 34 D N 3.540 124.056 120.400 0.194 0.000 2.358 34 D HA 0.116 4.756 4.640 -0.000 0.000 0.258 34 D C -1.828 174.487 176.300 0.025 0.000 1.223 34 D CA -1.678 52.370 54.000 0.081 0.000 0.886 34 D CB 1.529 42.349 40.800 0.034 0.000 1.120 34 D HN 0.180 nan 8.370 nan 0.000 0.482 35 P HA -0.020 nan 4.420 nan 0.000 0.228 35 P C 0.389 177.589 177.300 -0.166 0.000 1.151 35 P CA 0.658 63.712 63.100 -0.076 0.000 0.770 35 P CB 0.419 32.056 31.700 -0.105 0.000 0.786 36 A N -0.463 122.260 122.820 -0.160 0.000 1.909 36 A HA -0.021 4.299 4.320 -0.000 0.000 0.210 36 A C 2.180 179.571 177.584 -0.322 0.000 1.273 36 A CA 1.729 53.703 52.037 -0.105 0.000 0.654 36 A CB -1.452 17.596 19.000 0.081 0.000 0.945 36 A HN 0.266 nan 8.150 nan 0.000 0.471 37 T N -3.985 110.398 114.554 -0.284 0.000 3.043 37 T HA 0.344 4.694 4.350 -0.000 0.000 0.263 37 T C 1.511 175.932 174.700 -0.464 0.000 1.094 37 T CA 1.333 63.239 62.100 -0.324 0.000 1.127 37 T CB -0.135 68.693 68.868 -0.066 0.000 0.905 37 T HN 1.798 nan 8.240 nan 0.000 0.490 38 G N 2.117 110.708 108.800 -0.347 0.000 2.155 38 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.257 38 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.257 38 G C -0.173 174.838 174.900 0.185 0.000 0.983 38 G CA 0.381 45.493 45.100 0.019 0.000 0.676 38 G HN 1.056 nan 8.290 nan 0.000 0.528 39 E N -0.061 120.227 120.200 0.147 0.000 2.242 39 E HA 0.622 4.972 4.350 -0.000 0.000 0.275 39 E C 0.176 176.892 176.600 0.192 0.000 1.002 39 E CA -0.197 56.311 56.400 0.180 0.000 0.841 39 E CB 1.478 31.236 29.700 0.096 0.000 1.109 39 E HN 0.282 nan 8.360 nan 0.000 0.394 40 S N 1.072 116.865 115.700 0.155 0.000 2.533 40 S HA 0.166 4.636 4.470 -0.000 0.000 0.282 40 S C 0.666 175.242 174.600 -0.040 0.000 1.304 40 S CA 0.009 58.191 58.200 -0.030 0.000 1.063 40 S CB 0.267 63.430 63.200 -0.062 0.000 0.881 40 S HN 0.633 nan 8.310 nan 0.000 0.493 41 L N 3.499 124.687 121.223 -0.057 0.000 2.607 41 L HA 0.664 5.004 4.340 -0.000 0.000 0.228 41 L C 1.351 178.251 176.870 0.050 0.000 1.123 41 L CA 0.627 55.452 54.840 -0.025 0.000 0.890 41 L CB -1.690 40.358 42.059 -0.018 0.000 1.103 41 L HN 1.386 nan 8.230 nan 0.000 0.468 42 G N -1.119 107.700 108.800 0.031 0.000 2.409 42 G HA2 0.333 4.293 3.960 -0.000 0.000 0.421 42 G HA3 0.333 4.293 3.960 -0.000 0.000 0.421 42 G C -0.075 174.885 174.900 0.100 0.000 1.259 42 G CA 0.329 45.457 45.100 0.047 0.000 1.011 42 G HN 1.750 nan 8.290 nan 0.000 0.497 43 T N -2.485 112.119 114.554 0.084 0.000 2.932 43 T HA 0.919 5.269 4.350 -0.000 0.000 0.289 43 T C 0.146 174.875 174.700 0.049 0.000 1.039 43 T CA 0.095 62.193 62.100 -0.003 0.000 1.024 43 T CB 1.713 70.530 68.868 -0.084 0.000 1.090 43 T HN 2.200 nan 8.240 nan 0.000 0.496 44 V N -1.916 117.816 119.914 -0.303 0.000 3.001 44 V HA 0.793 4.913 4.120 -0.000 0.000 0.314 44 V C -3.118 172.745 176.094 -0.385 0.000 1.099 44 V CA -3.293 58.787 62.300 -0.365 0.000 0.989 44 V CB 1.288 32.739 31.823 -0.621 0.000 1.040 44 V HN 0.730 nan 8.190 nan 0.000 0.434 45 P HA 0.219 nan 4.420 nan 0.000 0.269 45 P C -1.036 176.246 177.300 -0.029 0.000 1.215 45 P CA -0.112 62.944 63.100 -0.075 0.000 0.780 45 P CB 0.379 32.080 31.700 0.001 0.000 0.898 46 K N 3.711 124.174 120.400 0.104 0.000 2.423 46 K HA 0.334 4.653 4.320 -0.000 0.000 0.234 46 K C -0.392 176.291 176.600 0.139 0.000 1.051 46 K CA -0.205 56.231 56.287 0.250 0.000 1.021 46 K CB -0.185 32.518 32.500 0.338 0.000 1.474 46 K HN 0.402 nan 8.250 nan 0.000 0.474 47 M N 1.277 120.948 119.600 0.117 0.000 2.267 47 M HA 0.448 4.927 4.480 -0.000 0.000 0.303 47 M C 0.789 177.124 176.300 0.059 0.000 1.164 47 M CA -0.597 54.745 55.300 0.070 0.000 1.060 47 M CB 1.461 34.092 32.600 0.053 0.000 1.455 47 M HN 0.641 nan 8.290 nan 0.000 0.483 48 G N -0.643 108.179 108.800 0.037 0.000 3.247 48 G HA2 0.595 4.554 3.960 -0.000 0.000 0.226 48 G HA3 0.595 4.554 3.960 -0.000 0.000 0.226 48 G C 0.463 175.372 174.900 0.014 0.000 1.220 48 G CA -0.013 45.102 45.100 0.026 0.000 0.875 48 G HN 0.749 nan 8.290 nan 0.000 0.606 49 A N -0.392 122.433 122.820 0.008 0.000 1.917 49 A HA 0.107 4.427 4.320 -0.000 0.000 0.219 49 A C 2.737 180.320 177.584 -0.002 0.000 1.182 49 A CA 3.164 55.201 52.037 0.001 0.000 0.633 49 A CB -1.142 17.857 19.000 -0.002 0.000 0.819 49 A HN 1.543 nan 8.150 nan 0.000 0.448 50 A N -0.239 122.581 122.820 0.000 0.000 1.892 50 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 50 A C 1.892 179.470 177.584 -0.010 0.000 1.188 50 A CA 2.106 54.141 52.037 -0.004 0.000 0.631 50 A CB -0.506 18.494 19.000 0.000 0.000 0.822 50 A HN 0.600 nan 8.150 nan 0.000 0.447 51 E N -1.141 119.054 120.200 -0.008 0.000 2.190 51 E HA 0.005 4.355 4.350 -0.000 0.000 0.191 51 E C 1.984 178.568 176.600 -0.026 0.000 0.978 51 E CA 1.067 57.456 56.400 -0.018 0.000 0.839 51 E CB -0.399 29.295 29.700 -0.011 0.000 0.787 51 E HN 0.525 nan 8.360 nan 0.000 0.473 52 T N 0.947 115.492 114.554 -0.016 0.000 2.684 52 T HA -0.208 4.142 4.350 -0.000 0.000 0.267 52 T C 2.047 176.730 174.700 -0.028 0.000 1.036 52 T CA 1.466 63.554 62.100 -0.019 0.000 1.148 52 T CB -0.408 68.455 68.868 -0.008 0.000 0.863 52 T HN 0.295 nan 8.240 nan 0.000 0.436 53 A N 1.445 124.252 122.820 -0.023 0.000 1.908 53 A HA -0.133 4.187 4.320 -0.000 0.000 0.218 53 A C 2.366 179.931 177.584 -0.032 0.000 1.181 53 A CA 1.679 53.702 52.037 -0.024 0.000 0.627 53 A CB -0.543 18.447 19.000 -0.017 0.000 0.818 53 A HN 0.382 nan 8.150 nan 0.000 0.445 54 R N -0.790 119.688 120.500 -0.036 0.000 2.092 54 R HA -0.036 4.304 4.340 -0.000 0.000 0.231 54 R C 2.478 178.737 176.300 -0.068 0.000 1.119 54 R CA 1.128 57.199 56.100 -0.048 0.000 0.970 54 R CB -0.374 29.897 30.300 -0.049 0.000 0.864 54 R HN 0.532 nan 8.270 nan 0.000 0.440 55 A N 1.082 123.857 122.820 -0.075 0.000 1.845 55 A HA -0.172 4.147 4.320 -0.000 0.000 0.215 55 A C 2.099 179.632 177.584 -0.086 0.000 1.195 55 A CA 1.376 53.353 52.037 -0.099 0.000 0.616 55 A CB -0.600 18.345 19.000 -0.091 0.000 0.832 55 A HN 0.219 nan 8.150 nan 0.000 0.443 56 I N -0.651 119.881 120.570 -0.064 0.000 2.194 56 I HA -0.311 3.859 4.170 -0.000 0.000 0.246 56 I C 2.552 178.642 176.117 -0.045 0.000 1.093 56 I CA 2.024 63.291 61.300 -0.056 0.000 1.355 56 I CB -0.309 37.665 38.000 -0.043 0.000 1.046 56 I HN 0.481 nan 8.210 nan 0.000 0.413 57 E N 0.645 120.822 120.200 -0.039 0.000 2.106 57 E HA -0.175 4.175 4.350 -0.000 0.000 0.192 57 E C 2.238 178.822 176.600 -0.027 0.000 0.984 57 E CA 1.152 57.537 56.400 -0.025 0.000 0.806 57 E CB -0.044 29.641 29.700 -0.024 0.000 0.750 57 E HN 0.489 nan 8.360 nan 0.000 0.458 58 A N 0.738 123.526 122.820 -0.053 0.000 1.969 58 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 58 A C 2.321 179.873 177.584 -0.052 0.000 1.169 58 A CA 1.440 53.438 52.037 -0.064 0.000 0.635 58 A CB -0.651 18.283 19.000 -0.111 0.000 0.810 58 A HN 0.367 nan 8.150 nan 0.000 0.445 59 A N -0.461 122.322 122.820 -0.062 0.000 1.865 59 A HA -0.272 4.047 4.320 -0.000 0.000 0.217 59 A C 2.202 179.803 177.584 0.028 0.000 1.191 59 A CA 1.961 53.966 52.037 -0.053 0.000 0.623 59 A CB -0.737 18.209 19.000 -0.089 0.000 0.826 59 A HN 0.638 nan 8.150 nan 0.000 0.444 60 Q N -0.662 119.164 119.800 0.043 0.000 2.096 60 Q HA -0.153 4.187 4.340 -0.000 0.000 0.204 60 Q C 2.024 178.119 176.000 0.159 0.000 0.982 60 Q CA 1.808 57.691 55.803 0.135 0.000 0.850 60 Q CB -0.360 28.437 28.738 0.099 0.000 0.901 60 Q HN 0.619 nan 8.270 nan 0.000 0.422 61 A N -0.323 122.547 122.820 0.084 0.000 2.168 61 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 61 A C 1.926 179.559 177.584 0.082 0.000 1.152 61 A CA 1.227 53.304 52.037 0.068 0.000 0.716 61 A CB -0.351 18.665 19.000 0.027 0.000 0.794 61 A HN 0.514 nan 8.150 nan 0.000 0.465 62 A N -2.141 120.740 122.820 0.102 0.000 2.115 62 A HA 0.169 4.489 4.320 -0.000 0.000 0.211 62 A C 1.705 179.439 177.584 0.249 0.000 1.169 62 A CA 0.694 52.799 52.037 0.113 0.000 0.787 62 A CB -0.608 18.404 19.000 0.021 0.000 0.858 62 A HN 0.689 nan 8.150 nan 0.000 0.474 63 W N 1.597 122.938 121.300 0.067 0.000 2.317 63 W HA -0.260 4.400 4.660 -0.000 0.000 0.318 63 W C 2.299 178.905 176.519 0.146 0.000 1.227 63 W CA 2.014 59.436 57.345 0.128 0.000 1.269 63 W CB -0.761 28.750 29.460 0.085 0.000 1.155 63 W HN 0.346 nan 8.180 nan 0.000 0.484 64 A N 0.339 123.185 122.820 0.043 0.000 1.940 64 A HA -0.062 4.258 4.320 -0.000 0.000 0.219 64 A C 2.302 179.871 177.584 -0.026 0.000 1.176 64 A CA 2.281 54.236 52.037 -0.138 0.000 0.631 64 A CB -1.544 17.389 19.000 -0.112 0.000 0.814 64 A HN 0.422 nan 8.150 nan 0.000 0.446 65 G N -2.039 106.809 108.800 0.080 0.000 2.421 65 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 65 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 65 G C 1.505 176.511 174.900 0.177 0.000 1.143 65 G CA 0.737 45.898 45.100 0.102 0.000 0.784 65 G HN 0.688 nan 8.290 nan 0.000 0.541 66 W N 2.505 123.834 121.300 0.049 0.000 2.407 66 W HA -0.074 4.586 4.660 -0.000 0.000 0.305 66 W C 2.636 179.198 176.519 0.073 0.000 1.196 66 W CA 1.100 58.491 57.345 0.077 0.000 1.311 66 W CB 0.125 29.666 29.460 0.135 0.000 1.135 66 W HN 0.302 nan 8.180 nan 0.000 0.514 67 R N 0.123 120.663 120.500 0.067 0.000 2.276 67 R HA -0.065 4.275 4.340 -0.000 0.000 0.203 67 R C 2.064 178.281 176.300 -0.140 0.000 1.017 67 R CA 1.162 57.214 56.100 -0.080 0.000 1.010 67 R CB -0.853 29.435 30.300 -0.020 0.000 0.900 67 R HN 0.212 nan 8.270 nan 0.000 0.469 68 M N 1.076 120.607 119.600 -0.114 0.000 2.492 68 M HA 0.085 4.565 4.480 -0.000 0.000 0.262 68 M C -0.107 176.125 176.300 -0.114 0.000 1.090 68 M CA 0.799 56.037 55.300 -0.103 0.000 1.110 68 M CB 0.361 32.918 32.600 -0.072 0.000 1.407 68 M HN 0.023 nan 8.290 nan 0.000 0.470 69 K N 1.713 122.016 120.400 -0.162 0.000 2.355 69 K HA 0.049 4.369 4.320 -0.000 0.000 0.270 69 K C 0.449 176.927 176.600 -0.203 0.000 1.003 69 K CA 0.068 56.241 56.287 -0.191 0.000 0.957 69 K CB 0.523 32.842 32.500 -0.302 0.000 0.939 69 K HN 0.257 nan 8.250 nan 0.000 0.482 70 T N -1.010 113.455 114.554 -0.149 0.000 2.860 70 T HA 0.139 4.489 4.350 -0.000 0.000 0.299 70 T C 1.352 175.956 174.700 -0.160 0.000 1.045 70 T CA -0.221 61.802 62.100 -0.128 0.000 1.071 70 T CB 1.316 70.132 68.868 -0.086 0.000 0.985 70 T HN 0.571 nan 8.240 nan 0.000 0.537 71 A N 1.258 124.002 122.820 -0.127 0.000 1.972 71 A HA -0.066 4.254 4.320 -0.000 0.000 0.219 71 A C 2.391 179.918 177.584 -0.095 0.000 1.169 71 A CA 1.692 53.658 52.037 -0.118 0.000 0.635 71 A CB -0.858 18.096 19.000 -0.077 0.000 0.810 71 A HN 0.955 nan 8.150 nan 0.000 0.446 72 K N -0.309 120.045 120.400 -0.078 0.000 2.063 72 K HA -0.201 4.119 4.320 -0.000 0.000 0.208 72 K C 1.941 178.510 176.600 -0.052 0.000 1.048 72 K CA 1.828 58.081 56.287 -0.057 0.000 0.928 72 K CB -0.162 32.309 32.500 -0.048 0.000 0.713 72 K HN 0.663 nan 8.250 nan 0.000 0.442 73 E N -0.112 120.043 120.200 -0.075 0.000 2.047 73 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 73 E C 2.149 178.704 176.600 -0.075 0.000 0.987 73 E CA 1.024 57.383 56.400 -0.067 0.000 0.799 73 E CB 0.054 29.701 29.700 -0.088 0.000 0.752 73 E HN 0.233 nan 8.360 nan 0.000 0.449 74 R N 0.396 120.787 120.500 -0.181 0.000 2.105 74 R HA -0.117 4.223 4.340 -0.000 0.000 0.239 74 R C 2.346 178.666 176.300 0.033 0.000 1.135 74 R CA 1.025 57.012 56.100 -0.188 0.000 0.967 74 R CB -0.309 29.733 30.300 -0.431 0.000 0.861 74 R HN 0.114 nan 8.270 nan 0.000 0.442 75 A N 1.441 124.264 122.820 0.005 0.000 1.902 75 A HA -0.130 4.190 4.320 -0.000 0.000 0.217 75 A C 2.415 180.043 177.584 0.073 0.000 1.181 75 A CA 1.696 53.756 52.037 0.039 0.000 0.623 75 A CB -0.644 18.351 19.000 -0.009 0.000 0.818 75 A HN 0.391 nan 8.150 nan 0.000 0.443 76 A N -0.117 122.738 122.820 0.057 0.000 1.883 76 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 76 A C 2.132 179.793 177.584 0.129 0.000 1.186 76 A CA 1.648 53.731 52.037 0.077 0.000 0.624 76 A CB -0.650 18.381 19.000 0.053 0.000 0.822 76 A HN 0.491 nan 8.150 nan 0.000 0.444 77 I N -0.341 120.323 120.570 0.157 0.000 2.226 77 I HA -0.265 3.905 4.170 -0.000 0.000 0.245 77 I C 2.342 178.628 176.117 0.281 0.000 1.100 77 I CA 1.204 62.633 61.300 0.215 0.000 1.374 77 I CB -0.224 37.945 38.000 0.282 0.000 1.057 77 I HN 0.296 nan 8.210 nan 0.000 0.413 78 L N -0.193 121.217 121.223 0.312 0.000 2.156 78 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 78 L C 2.674 179.758 176.870 0.358 0.000 1.095 78 L CA 0.965 56.053 54.840 0.412 0.000 0.770 78 L CB -0.504 41.782 42.059 0.378 0.000 0.914 78 L HN 0.192 nan 8.230 nan 0.000 0.439 79 R N 0.206 120.850 120.500 0.239 0.000 2.092 79 R HA -0.110 4.229 4.340 -0.000 0.000 0.231 79 R C 2.472 178.951 176.300 0.297 0.000 1.119 79 R CA 1.083 57.316 56.100 0.220 0.000 0.970 79 R CB 0.033 30.406 30.300 0.122 0.000 0.864 79 R HN 0.253 nan 8.270 nan 0.000 0.440 80 R N -0.866 119.788 120.500 0.255 0.000 2.075 80 R HA -0.178 4.162 4.340 -0.000 0.000 0.232 80 R C 1.928 178.397 176.300 0.282 0.000 1.126 80 R CA 1.436 57.670 56.100 0.223 0.000 0.963 80 R CB -0.470 29.930 30.300 0.168 0.000 0.858 80 R HN 0.338 nan 8.270 nan 0.000 0.435 81 W N 1.346 122.717 121.300 0.120 0.000 2.338 81 W HA -0.243 4.417 4.660 -0.000 0.000 0.304 81 W C 1.857 178.456 176.519 0.133 0.000 1.212 81 W CA 0.980 58.387 57.345 0.103 0.000 1.264 81 W CB -0.806 28.721 29.460 0.112 0.000 1.142 81 W HN 0.017 nan 8.180 nan 0.000 0.512 82 F N 1.860 121.815 119.950 0.009 0.000 2.126 82 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 82 F C 2.123 177.899 175.800 -0.040 0.000 1.096 82 F CA 2.604 60.535 58.000 -0.114 0.000 1.255 82 F CB -0.690 38.278 39.000 -0.053 0.000 0.997 82 F HN -0.235 nan 8.300 nan 0.000 0.479 83 D N 0.748 121.129 120.400 -0.030 0.000 2.117 83 D HA -0.187 4.453 4.640 -0.000 0.000 0.197 83 D C 2.455 178.668 176.300 -0.145 0.000 0.987 83 D CA 1.639 55.560 54.000 -0.132 0.000 0.829 83 D CB -0.534 40.293 40.800 0.045 0.000 0.961 83 D HN 0.366 nan 8.370 nan 0.000 0.460 84 L N 0.493 121.694 121.223 -0.037 0.000 2.093 84 L HA -0.125 4.215 4.340 -0.000 0.000 0.208 84 L C 2.567 179.406 176.870 -0.051 0.000 1.085 84 L CA 0.416 55.251 54.840 -0.009 0.000 0.755 84 L CB -0.164 41.944 42.059 0.081 0.000 0.904 84 L HN -0.080 nan 8.230 nan 0.000 0.435 85 V N -0.157 119.685 119.914 -0.120 0.000 2.307 85 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 85 V C 2.410 178.394 176.094 -0.183 0.000 1.045 85 V CA 1.375 63.586 62.300 -0.148 0.000 1.024 85 V CB -0.319 31.357 31.823 -0.245 0.000 0.651 85 V HN 0.253 nan 8.190 nan 0.000 0.449 86 I N 0.749 121.124 120.570 -0.325 0.000 2.127 86 I HA -0.240 3.930 4.170 -0.000 0.000 0.241 86 I C 2.769 178.792 176.117 -0.157 0.000 1.075 86 I CA 2.063 63.185 61.300 -0.295 0.000 1.334 86 I CB -1.748 35.967 38.000 -0.475 0.000 1.040 86 I HN 0.311 nan 8.210 nan 0.000 0.405 87 A N 1.144 123.884 122.820 -0.133 0.000 1.892 87 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 87 A C 1.728 179.285 177.584 -0.045 0.000 1.188 87 A CA 1.815 53.810 52.037 -0.071 0.000 0.631 87 A CB -0.768 18.202 19.000 -0.051 0.000 0.822 87 A HN 0.569 nan 8.150 nan 0.000 0.447 88 N N -0.126 118.552 118.700 -0.038 0.000 2.327 88 N HA 0.055 4.795 4.740 -0.000 0.000 0.231 88 N C 1.081 176.586 175.510 -0.008 0.000 1.130 88 N CA 0.617 53.660 53.050 -0.012 0.000 0.845 88 N CB 0.545 39.037 38.487 0.009 0.000 1.073 88 N HN 0.481 nan 8.380 nan 0.000 0.496 89 S N 1.692 117.378 115.700 -0.024 0.000 2.370 89 S HA -0.170 4.300 4.470 -0.000 0.000 0.226 89 S C 1.372 175.974 174.600 0.003 0.000 1.033 89 S CA 1.354 59.546 58.200 -0.014 0.000 1.011 89 S CB 0.078 63.262 63.200 -0.025 0.000 0.852 89 S HN 0.208 nan 8.310 nan 0.000 0.457 90 D N 1.252 121.652 120.400 0.000 0.000 2.092 90 D HA -0.098 4.542 4.640 -0.000 0.000 0.193 90 D C 1.696 178.000 176.300 0.007 0.000 0.994 90 D CA 1.560 55.562 54.000 0.004 0.000 0.828 90 D CB -0.769 40.032 40.800 0.001 0.000 0.963 90 D HN 0.446 nan 8.370 nan 0.000 0.450 91 D N 0.169 120.573 120.400 0.006 0.000 2.117 91 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 91 D C 2.351 178.659 176.300 0.013 0.000 0.987 91 D CA 0.330 54.333 54.000 0.005 0.000 0.829 91 D CB -0.403 40.401 40.800 0.007 0.000 0.961 91 D HN 0.181 nan 8.370 nan 0.000 0.460 92 L N 0.448 121.687 121.223 0.026 0.000 2.042 92 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 92 L C 2.423 179.319 176.870 0.043 0.000 1.076 92 L CA 1.300 56.166 54.840 0.043 0.000 0.749 92 L CB -0.404 41.686 42.059 0.051 0.000 0.893 92 L HN 0.013 nan 8.230 nan 0.000 0.432 93 A N -0.474 122.367 122.820 0.035 0.000 1.930 93 A HA -0.192 4.128 4.320 -0.000 0.000 0.217 93 A C 2.164 179.763 177.584 0.025 0.000 1.175 93 A CA 1.357 53.416 52.037 0.035 0.000 0.627 93 A CB -0.550 18.469 19.000 0.032 0.000 0.815 93 A HN 0.311 nan 8.150 nan 0.000 0.443 94 L N 0.066 121.297 121.223 0.014 0.000 2.027 94 L HA -0.070 4.270 4.340 -0.000 0.000 0.206 94 L C 2.213 179.081 176.870 -0.003 0.000 1.074 94 L CA 1.615 56.457 54.840 0.003 0.000 0.745 94 L CB -0.480 41.574 42.059 -0.008 0.000 0.898 94 L HN 0.429 nan 8.230 nan 0.000 0.433 95 I N -1.134 119.433 120.570 -0.003 0.000 2.264 95 I HA -0.344 3.826 4.170 -0.000 0.000 0.248 95 I C 2.450 178.592 176.117 0.042 0.000 1.111 95 I CA 1.478 62.775 61.300 -0.006 0.000 1.382 95 I CB -0.213 37.793 38.000 0.009 0.000 1.060 95 I HN 0.337 nan 8.210 nan 0.000 0.418 96 L N -0.118 121.137 121.223 0.054 0.000 2.023 96 L HA -0.192 4.148 4.340 -0.000 0.000 0.205 96 L C 2.616 179.518 176.870 0.053 0.000 1.073 96 L CA 1.606 56.487 54.840 0.069 0.000 0.745 96 L CB -0.343 41.754 42.059 0.062 0.000 0.900 96 L HN 0.160 nan 8.230 nan 0.000 0.435 97 T N -0.962 113.612 114.554 0.033 0.000 2.720 97 T HA -0.208 4.142 4.350 -0.000 0.000 0.268 97 T C 1.673 176.390 174.700 0.027 0.000 1.037 97 T CA 2.005 64.120 62.100 0.025 0.000 1.144 97 T CB -0.359 68.522 68.868 0.021 0.000 0.864 97 T HN 0.411 nan 8.240 nan 0.000 0.444 98 T N 1.930 116.497 114.554 0.022 0.000 2.849 98 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 98 T C 1.855 176.581 174.700 0.044 0.000 1.066 98 T CA 1.584 63.693 62.100 0.015 0.000 1.130 98 T CB -0.219 68.636 68.868 -0.022 0.000 0.864 98 T HN 0.793 nan 8.240 nan 0.000 0.481 99 E N -0.643 119.605 120.200 0.080 0.000 2.434 99 E HA 0.146 4.495 4.350 -0.000 0.000 0.207 99 E C 2.108 178.767 176.600 0.098 0.000 0.929 99 E CA -0.102 56.376 56.400 0.130 0.000 1.001 99 E CB -0.015 29.829 29.700 0.240 0.000 1.016 99 E HN 0.162 nan 8.360 nan 0.000 0.502 100 Q N 0.436 120.283 119.800 0.079 0.000 2.462 100 Q HA 0.130 4.470 4.340 -0.000 0.000 0.224 100 Q C 1.249 177.265 176.000 0.027 0.000 0.911 100 Q CA 1.706 57.556 55.803 0.079 0.000 0.925 100 Q CB 1.158 29.956 28.738 0.101 0.000 1.063 100 Q HN 0.436 nan 8.270 nan 0.000 0.572 101 G N 1.710 110.514 108.800 0.008 0.000 2.253 101 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.209 101 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.209 101 G C -0.007 174.884 174.900 -0.015 0.000 0.997 101 G CA 0.175 45.258 45.100 -0.028 0.000 0.640 101 G HN 0.408 nan 8.290 nan 0.000 0.496 102 K N 1.832 122.226 120.400 -0.010 0.000 2.355 102 K HA 0.517 4.837 4.320 -0.000 0.000 0.270 102 K C -2.248 174.358 176.600 0.009 0.000 1.003 102 K CA -1.119 55.161 56.287 -0.011 0.000 0.957 102 K CB 0.756 33.223 32.500 -0.055 0.000 0.939 102 K HN 0.122 nan 8.250 nan 0.000 0.482 103 P HA -0.138 nan 4.420 nan 0.000 0.267 103 P C 0.916 178.230 177.300 0.023 0.000 1.195 103 P CA 0.028 63.146 63.100 0.030 0.000 0.773 103 P CB 0.476 32.195 31.700 0.033 0.000 0.837 104 L N 1.397 122.635 121.223 0.025 0.000 2.081 104 L HA -0.284 4.056 4.340 -0.000 0.000 0.212 104 L C 2.424 179.310 176.870 0.026 0.000 1.080 104 L CA 2.384 57.238 54.840 0.023 0.000 0.754 104 L CB -0.965 41.106 42.059 0.020 0.000 0.893 104 L HN 0.436 nan 8.230 nan 0.000 0.433 105 A N -0.517 122.318 122.820 0.026 0.000 1.902 105 A HA -0.223 4.097 4.320 -0.000 0.000 0.217 105 A C 2.112 179.718 177.584 0.037 0.000 1.181 105 A CA 1.573 53.628 52.037 0.029 0.000 0.623 105 A CB -0.376 18.639 19.000 0.026 0.000 0.818 105 A HN 0.451 nan 8.150 nan 0.000 0.443 106 E N -0.544 119.676 120.200 0.032 0.000 2.152 106 E HA -0.022 4.327 4.350 -0.000 0.000 0.192 106 E C 2.258 178.883 176.600 0.041 0.000 0.983 106 E CA 0.698 57.119 56.400 0.035 0.000 0.818 106 E CB -0.178 29.528 29.700 0.011 0.000 0.758 106 E HN 0.622 nan 8.360 nan 0.000 0.467 107 A N 1.510 124.348 122.820 0.029 0.000 1.897 107 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 107 A C 1.923 179.548 177.584 0.069 0.000 1.181 107 A CA 1.174 53.234 52.037 0.039 0.000 0.620 107 A CB -0.167 18.850 19.000 0.028 0.000 0.821 107 A HN 0.012 nan 8.150 nan 0.000 0.443 108 K N -0.624 119.809 120.400 0.056 0.000 2.147 108 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 108 K C 1.951 178.598 176.600 0.078 0.000 1.049 108 K CA 1.013 57.334 56.287 0.056 0.000 0.936 108 K CB -0.330 32.193 32.500 0.038 0.000 0.722 108 K HN 0.470 nan 8.250 nan 0.000 0.446 109 G N 0.832 109.685 108.800 0.088 0.000 2.448 109 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.218 109 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.218 109 G C 1.283 176.297 174.900 0.189 0.000 1.135 109 G CA 0.325 45.490 45.100 0.108 0.000 0.784 109 G HN 0.331 nan 8.290 nan 0.000 0.543 110 E N 0.018 120.361 120.200 0.237 0.000 2.122 110 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 110 E C 2.337 179.122 176.600 0.308 0.000 0.977 110 E CA 0.078 56.716 56.400 0.397 0.000 0.820 110 E CB 0.012 29.967 29.700 0.426 0.000 0.770 110 E HN 0.239 nan 8.360 nan 0.000 0.462 111 I N 1.757 122.438 120.570 0.184 0.000 2.127 111 I HA -0.246 3.924 4.170 -0.000 0.000 0.241 111 I C 2.639 178.820 176.117 0.108 0.000 1.075 111 I CA 1.445 62.815 61.300 0.117 0.000 1.334 111 I CB -1.646 36.393 38.000 0.065 0.000 1.040 111 I HN 0.124 nan 8.210 nan 0.000 0.405 112 A N 0.106 122.995 122.820 0.115 0.000 1.883 112 A HA -0.303 4.017 4.320 -0.000 0.000 0.217 112 A C 2.382 180.074 177.584 0.181 0.000 1.186 112 A CA 1.795 53.899 52.037 0.112 0.000 0.624 112 A CB -1.266 17.792 19.000 0.097 0.000 0.822 112 A HN 0.472 nan 8.150 nan 0.000 0.444 113 Y N 0.765 121.110 120.300 0.075 0.000 2.114 113 Y HA -0.197 4.353 4.550 -0.000 0.000 0.282 113 Y C 2.722 178.729 175.900 0.178 0.000 1.165 113 Y CA 1.248 59.396 58.100 0.081 0.000 1.148 113 Y CB -0.921 37.602 38.460 0.104 0.000 0.972 113 Y HN 0.321 nan 8.280 nan 0.000 0.504 114 A N 0.332 123.236 122.820 0.140 0.000 1.908 114 A HA -0.130 4.190 4.320 -0.000 0.000 0.218 114 A C 2.505 180.124 177.584 0.059 0.000 1.181 114 A CA 2.292 54.366 52.037 0.061 0.000 0.627 114 A CB -1.539 17.493 19.000 0.053 0.000 0.818 114 A HN 0.608 nan 8.150 nan 0.000 0.445 115 A N 0.330 123.189 122.820 0.065 0.000 1.877 115 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 115 A C 2.518 180.291 177.584 0.314 0.000 1.186 115 A CA 2.478 54.594 52.037 0.133 0.000 0.620 115 A CB -1.092 17.927 19.000 0.033 0.000 0.822 115 A HN 1.111 nan 8.150 nan 0.000 0.443 116 S N -1.261 114.551 115.700 0.187 0.000 2.442 116 S HA -0.121 4.349 4.470 -0.000 0.000 0.236 116 S C 1.666 176.195 174.600 -0.119 0.000 1.007 116 S CA 1.356 59.565 58.200 0.015 0.000 0.965 116 S CB -0.717 62.434 63.200 -0.081 0.000 0.773 116 S HN 0.350 nan 8.310 nan 0.000 0.504 117 F N 1.731 121.656 119.950 -0.041 0.000 2.163 117 F HA 0.197 4.724 4.527 -0.000 0.000 0.297 117 F C 2.208 178.119 175.800 0.184 0.000 1.094 117 F CA 0.669 58.688 58.000 0.032 0.000 1.290 117 F CB -0.503 38.477 39.000 -0.034 0.000 1.017 117 F HN 0.165 nan 8.300 nan 0.000 0.483 118 I N -0.116 120.590 120.570 0.227 0.000 2.127 118 I HA -0.326 3.844 4.170 -0.000 0.000 0.241 118 I C 2.539 178.712 176.117 0.094 0.000 1.075 118 I CA 1.872 63.244 61.300 0.120 0.000 1.334 118 I CB -0.599 37.285 38.000 -0.193 0.000 1.040 118 I HN 0.174 nan 8.210 nan 0.000 0.405 119 E N 0.777 120.917 120.200 -0.099 0.000 2.085 119 E HA -0.286 4.064 4.350 -0.000 0.000 0.194 119 E C 2.186 178.678 176.600 -0.180 0.000 0.994 119 E CA 1.567 57.738 56.400 -0.383 0.000 0.801 119 E CB -0.296 28.814 29.700 -0.984 0.000 0.743 119 E HN 0.619 nan 8.360 nan 0.000 0.453 120 W N 0.327 121.448 121.300 -0.297 0.000 2.335 120 W HA -0.255 4.405 4.660 -0.000 0.000 0.311 120 W C 1.377 177.700 176.519 -0.326 0.000 1.213 120 W CA 1.191 58.310 57.345 -0.376 0.000 1.274 120 W CB -0.408 28.708 29.460 -0.573 0.000 1.148 120 W HN 0.119 nan 8.180 nan 0.000 0.498 121 F N 0.734 120.705 119.950 0.035 0.000 2.615 121 F HA 0.065 4.592 4.527 -0.000 0.000 0.297 121 F C 2.608 178.370 175.800 -0.063 0.000 1.124 121 F CA 1.256 59.240 58.000 -0.027 0.000 1.451 121 F CB -1.283 37.792 39.000 0.124 0.000 1.103 121 F HN -0.116 nan 8.300 nan 0.000 0.569 122 A N 0.484 123.357 122.820 0.087 0.000 1.865 122 A HA -0.236 4.084 4.320 -0.000 0.000 0.217 122 A C 2.146 179.685 177.584 -0.075 0.000 1.191 122 A CA 2.071 54.126 52.037 0.030 0.000 0.623 122 A CB -0.760 18.241 19.000 0.002 0.000 0.826 122 A HN 0.428 nan 8.150 nan 0.000 0.444 123 E N -0.554 119.523 120.200 -0.204 0.000 2.047 123 E HA -0.171 4.179 4.350 -0.000 0.000 0.191 123 E C 2.023 178.447 176.600 -0.294 0.000 0.987 123 E CA 1.027 57.261 56.400 -0.277 0.000 0.799 123 E CB -0.191 29.271 29.700 -0.397 0.000 0.752 123 E HN 0.484 nan 8.360 nan 0.000 0.449 124 E N 0.448 120.412 120.200 -0.393 0.000 2.118 124 E HA -0.159 4.191 4.350 -0.000 0.000 0.195 124 E C 2.251 178.807 176.600 -0.072 0.000 0.992 124 E CA 1.132 57.374 56.400 -0.263 0.000 0.804 124 E CB -0.579 29.007 29.700 -0.191 0.000 0.741 124 E HN 0.394 nan 8.360 nan 0.000 0.458 125 G N 1.716 110.505 108.800 -0.019 0.000 2.469 125 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 125 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 125 G C 1.413 176.296 174.900 -0.028 0.000 1.136 125 G CA 0.826 45.931 45.100 0.010 0.000 0.759 125 G HN 0.274 nan 8.290 nan 0.000 0.562 126 K N -0.190 120.173 120.400 -0.062 0.000 2.487 126 K HA 0.138 4.458 4.320 -0.000 0.000 0.192 126 K C 1.557 178.118 176.600 -0.066 0.000 1.027 126 K CA 0.192 56.439 56.287 -0.066 0.000 1.054 126 K CB 0.301 32.753 32.500 -0.080 0.000 0.824 126 K HN 0.211 nan 8.250 nan 0.000 0.510 127 R N 0.466 120.926 120.500 -0.066 0.000 2.549 127 R HA 0.144 4.484 4.340 -0.000 0.000 0.344 127 R C -0.434 175.848 176.300 -0.029 0.000 0.979 127 R CA -0.159 55.903 56.100 -0.064 0.000 1.140 127 R CB 1.133 31.368 30.300 -0.107 0.000 1.377 127 R HN -0.135 nan 8.270 nan 0.000 0.541 128 V N 2.261 122.175 119.914 -0.001 0.000 2.425 128 V HA 0.193 4.312 4.120 -0.000 0.000 0.276 128 V C 0.361 176.468 176.094 0.021 0.000 1.017 128 V CA 0.060 62.379 62.300 0.032 0.000 1.062 128 V CB 0.506 32.362 31.823 0.056 0.000 0.997 128 V HN 0.223 nan 8.190 nan 0.000 0.476 129 A N 4.627 127.460 122.820 0.020 0.000 2.365 129 A HA 0.897 5.217 4.320 -0.000 0.000 0.318 129 A C 0.427 178.025 177.584 0.023 0.000 1.091 129 A CA 0.038 52.082 52.037 0.011 0.000 0.763 129 A CB 1.644 20.639 19.000 -0.008 0.000 1.248 129 A HN 0.841 nan 8.150 nan 0.000 0.442 130 G N -0.014 108.801 108.800 0.023 0.000 2.695 130 G HA2 0.604 4.564 3.960 -0.000 0.000 0.213 130 G HA3 0.604 4.564 3.960 -0.000 0.000 0.213 130 G C -0.892 174.022 174.900 0.022 0.000 1.406 130 G CA -0.348 44.771 45.100 0.031 0.000 1.049 130 G HN 0.662 nan 8.290 nan 0.000 0.573 131 D N -0.770 119.646 120.400 0.027 0.000 2.581 131 D HA 0.488 5.128 4.640 -0.000 0.000 0.232 131 D C -0.786 175.530 176.300 0.025 0.000 1.143 131 D CA -0.160 53.852 54.000 0.020 0.000 0.881 131 D CB 2.058 42.866 40.800 0.014 0.000 1.500 131 D HN 0.478 nan 8.370 nan 0.000 0.458 132 T N -0.799 113.766 114.554 0.018 0.000 2.809 132 T HA 0.694 5.044 4.350 -0.000 0.000 0.284 132 T C -0.195 174.513 174.700 0.013 0.000 0.992 132 T CA -0.726 61.387 62.100 0.022 0.000 0.957 132 T CB 0.735 69.614 68.868 0.018 0.000 0.942 132 T HN 0.187 nan 8.240 nan 0.000 0.439 133 L N 3.230 124.462 121.223 0.014 0.000 2.333 133 L HA 0.614 4.954 4.340 -0.000 0.000 0.269 133 L C -2.318 174.555 176.870 0.005 0.000 1.010 133 L CA -2.771 52.069 54.840 0.001 0.000 0.818 133 L CB 1.969 44.017 42.059 -0.018 0.000 1.306 133 L HN 0.442 nan 8.230 nan 0.000 0.430 134 P HA 0.072 nan 4.420 nan 0.000 0.271 134 P C -0.396 176.907 177.300 0.006 0.000 1.220 134 P CA -0.169 62.933 63.100 0.004 0.000 0.768 134 P CB 0.737 32.438 31.700 0.000 0.000 0.848 135 T N 3.856 118.419 114.554 0.014 0.000 2.884 135 T HA 0.220 4.570 4.350 -0.000 0.000 0.298 135 T C -1.096 173.613 174.700 0.014 0.000 0.998 135 T CA -1.360 60.753 62.100 0.021 0.000 1.124 135 T CB -0.040 68.848 68.868 0.032 0.000 0.931 135 T HN 0.318 nan 8.240 nan 0.000 0.531 136 P HA 0.238 nan 4.420 nan 0.000 0.249 136 P C -0.428 176.882 177.300 0.016 0.000 1.229 136 P CA 0.246 63.353 63.100 0.011 0.000 0.788 136 P CB 0.316 32.020 31.700 0.007 0.000 1.072 137 D N -0.178 120.236 120.400 0.023 0.000 2.602 137 D HA 0.372 5.012 4.640 -0.000 0.000 0.245 137 D C 0.787 177.100 176.300 0.022 0.000 1.325 137 D CA -0.658 53.356 54.000 0.022 0.000 0.952 137 D CB 1.820 42.637 40.800 0.028 0.000 1.317 137 D HN -0.157 nan 8.370 nan 0.000 0.577 138 A N 3.946 126.775 122.820 0.016 0.000 2.125 138 A HA -0.168 4.152 4.320 -0.000 0.000 0.219 138 A C 1.449 179.041 177.584 0.014 0.000 1.156 138 A CA 0.977 53.023 52.037 0.014 0.000 0.671 138 A CB -0.191 18.815 19.000 0.010 0.000 0.794 138 A HN 0.565 nan 8.150 nan 0.000 0.459 139 N N -0.447 118.262 118.700 0.014 0.000 2.398 139 N HA 0.080 4.819 4.740 -0.000 0.000 0.188 139 N C 0.062 175.581 175.510 0.016 0.000 1.122 139 N CA 0.580 53.637 53.050 0.012 0.000 0.866 139 N CB 0.217 38.710 38.487 0.010 0.000 0.970 139 N HN 0.501 nan 8.380 nan 0.000 0.462 140 K N 0.060 120.474 120.400 0.024 0.000 2.281 140 K HA 0.478 4.798 4.320 -0.000 0.000 0.242 140 K C -0.602 176.022 176.600 0.041 0.000 0.971 140 K CA -0.676 55.631 56.287 0.033 0.000 0.834 140 K CB 1.620 34.149 32.500 0.048 0.000 1.181 140 K HN -0.274 nan 8.250 nan 0.000 0.435 141 R N 1.426 121.955 120.500 0.048 0.000 2.621 141 R HA 0.506 4.846 4.340 -0.000 0.000 0.292 141 R C -1.207 175.153 176.300 0.099 0.000 0.969 141 R CA -0.656 55.477 56.100 0.056 0.000 0.887 141 R CB 0.995 31.315 30.300 0.035 0.000 1.180 141 R HN 0.543 nan 8.270 nan 0.000 0.450 142 I N 3.206 123.843 120.570 0.112 0.000 2.328 142 I HA 0.381 4.551 4.170 -0.000 0.000 0.287 142 I C -0.570 175.626 176.117 0.132 0.000 1.012 142 I CA -0.814 60.595 61.300 0.181 0.000 1.195 142 I CB 1.534 39.612 38.000 0.129 0.000 1.350 142 I HN 0.073 nan 8.210 nan 0.000 0.464 143 V N 7.254 127.265 119.914 0.162 0.000 2.444 143 V HA 0.420 4.539 4.120 -0.000 0.000 0.294 143 V C -0.182 176.005 176.094 0.155 0.000 1.022 143 V CA -0.728 61.638 62.300 0.111 0.000 0.850 143 V CB 2.062 33.923 31.823 0.063 0.000 0.992 143 V HN 0.350 nan 8.190 nan 0.000 0.426 144 V N 5.667 125.650 119.914 0.116 0.000 2.384 144 V HA 0.609 4.729 4.120 -0.000 0.000 0.287 144 V C -0.085 176.055 176.094 0.077 0.000 1.020 144 V CA -0.586 61.784 62.300 0.117 0.000 0.850 144 V CB 1.847 33.718 31.823 0.081 0.000 0.987 144 V HN 0.768 nan 8.190 nan 0.000 0.436 145 V N 2.436 122.395 119.914 0.076 0.000 2.715 145 V HA 0.708 4.828 4.120 -0.000 0.000 0.310 145 V C -0.460 175.673 176.094 0.064 0.000 1.054 145 V CA -0.985 61.349 62.300 0.056 0.000 0.928 145 V CB 1.857 33.705 31.823 0.041 0.000 1.007 145 V HN 0.779 nan 8.190 nan 0.000 0.437 146 K N 2.831 123.267 120.400 0.060 0.000 2.164 146 K HA 0.703 5.023 4.320 -0.000 0.000 0.258 146 K C -0.677 175.969 176.600 0.076 0.000 0.951 146 K CA -0.493 55.838 56.287 0.073 0.000 0.844 146 K CB 1.940 34.485 32.500 0.074 0.000 1.099 146 K HN 1.040 nan 8.250 nan 0.000 0.435 147 E N 1.446 121.706 120.200 0.099 0.000 2.412 147 E HA 0.365 4.715 4.350 -0.000 0.000 0.279 147 E C -2.995 173.712 176.600 0.177 0.000 0.984 147 E CA -2.441 54.031 56.400 0.119 0.000 0.788 147 E CB 1.712 31.471 29.700 0.099 0.000 1.277 147 E HN 0.147 nan 8.360 nan 0.000 0.455 148 P HA -0.016 nan 4.420 nan 0.000 0.265 148 P C 0.510 178.007 177.300 0.328 0.000 1.193 148 P CA 0.113 63.407 63.100 0.323 0.000 0.765 148 P CB 0.985 32.996 31.700 0.517 0.000 0.823 149 I N 1.817 122.483 120.570 0.161 0.000 2.142 149 I HA -0.093 4.077 4.170 -0.000 0.000 0.240 149 I C 1.139 177.190 176.117 -0.110 0.000 1.078 149 I CA 2.358 63.695 61.300 0.061 0.000 1.343 149 I CB -0.342 37.655 38.000 -0.006 0.000 1.046 149 I HN 0.706 nan 8.210 nan 0.000 0.405 150 G N -0.980 107.532 108.800 -0.480 0.000 2.347 150 G HA2 -0.006 3.954 3.960 -0.000 0.000 0.224 150 G HA3 -0.006 3.954 3.960 -0.000 0.000 0.224 150 G C -1.086 173.256 174.900 -0.930 0.000 1.318 150 G CA -0.209 44.086 45.100 -1.343 0.000 1.016 150 G HN -0.023 nan 8.290 nan 0.000 0.469 151 V N 0.770 120.275 119.914 -0.682 0.000 2.479 151 V HA 0.382 4.502 4.120 -0.000 0.000 0.281 151 V C 0.569 176.530 176.094 -0.222 0.000 1.031 151 V CA -0.046 62.031 62.300 -0.372 0.000 1.038 151 V CB 0.047 31.733 31.823 -0.229 0.000 0.981 151 V HN 0.802 nan 8.190 nan 0.000 0.478 152 C N 4.341 123.549 119.300 -0.152 0.000 2.470 152 C HA 0.977 5.437 4.460 -0.000 0.000 0.341 152 C C 0.490 175.459 174.990 -0.034 0.000 1.190 152 C CA -0.569 58.414 59.018 -0.058 0.000 1.904 152 C CB 1.238 29.007 27.740 0.048 0.000 2.354 152 C HN 1.022 nan 8.230 nan 0.000 0.509 153 A N 0.795 123.615 122.820 -0.001 0.000 2.549 153 A HA 0.953 5.273 4.320 -0.000 0.000 0.297 153 A C -1.147 176.465 177.584 0.048 0.000 1.061 153 A CA -0.221 51.822 52.037 0.010 0.000 0.690 153 A CB 1.250 20.247 19.000 -0.005 0.000 1.287 153 A HN 1.644 nan 8.150 nan 0.000 0.402 154 A N 1.116 123.970 122.820 0.057 0.000 2.486 154 A HA 0.791 5.111 4.320 -0.000 0.000 0.300 154 A C -1.212 176.430 177.584 0.096 0.000 1.048 154 A CA -0.303 51.782 52.037 0.081 0.000 0.696 154 A CB 0.902 19.940 19.000 0.064 0.000 1.278 154 A HN 0.812 nan 8.150 nan 0.000 0.405 155 I N 2.171 122.827 120.570 0.144 0.000 2.418 155 I HA 0.491 4.661 4.170 -0.000 0.000 0.287 155 I C 0.123 176.270 176.117 0.050 0.000 1.008 155 I CA -0.307 61.096 61.300 0.171 0.000 1.104 155 I CB 2.497 40.723 38.000 0.376 0.000 1.264 155 I HN 0.769 nan 8.210 nan 0.000 0.438 156 T N 3.964 118.533 114.554 0.024 0.000 2.887 156 T HA 0.674 5.024 4.350 -0.000 0.000 0.288 156 T C -2.720 171.959 174.700 -0.036 0.000 1.021 156 T CA -2.076 59.998 62.100 -0.042 0.000 1.000 156 T CB 2.242 71.108 68.868 -0.003 0.000 1.034 156 T HN 0.199 nan 8.240 nan 0.000 0.467 157 P HA 0.263 nan 4.420 nan 0.000 0.293 157 P C 0.770 178.039 177.300 -0.050 0.000 1.304 157 P CA -0.771 62.241 63.100 -0.147 0.000 0.767 157 P CB 0.868 32.368 31.700 -0.333 0.000 1.247 158 W N 0.496 121.830 121.300 0.057 0.000 2.704 158 W HA 0.008 4.668 4.660 -0.000 0.000 0.266 158 W C 1.203 177.757 176.519 0.058 0.000 1.266 158 W CA 0.385 57.764 57.345 0.058 0.000 1.377 158 W CB -1.788 27.700 29.460 0.047 0.000 1.082 158 W HN 0.236 nan 8.180 nan 0.000 0.608 159 N N 1.605 119.981 118.700 -0.540 0.000 2.149 159 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 159 N C -0.079 175.315 175.510 -0.194 0.000 1.019 159 N CA 1.047 53.873 53.050 -0.372 0.000 0.857 159 N CB -1.078 37.068 38.487 -0.568 0.000 0.997 159 N HN 0.077 nan 8.380 nan 0.000 0.426 160 F N 1.181 121.086 119.950 -0.076 0.000 2.449 160 F HA 0.387 4.913 4.527 -0.000 0.000 0.344 160 F C -1.763 174.048 175.800 0.018 0.000 1.180 160 F CA -2.156 55.848 58.000 0.007 0.000 1.209 160 F CB 1.877 40.883 39.000 0.008 0.000 1.440 160 F HN -0.083 nan 8.300 nan 0.000 0.526 161 P HA -0.017 nan 4.420 nan 0.000 0.233 161 P C 1.026 178.410 177.300 0.140 0.000 1.167 161 P CA 0.861 64.047 63.100 0.144 0.000 0.770 161 P CB 0.474 32.269 31.700 0.157 0.000 0.837 162 A N 0.369 123.284 122.820 0.159 0.000 1.909 162 A HA 0.384 4.704 4.320 -0.000 0.000 0.209 162 A C 2.343 179.994 177.584 0.112 0.000 1.247 162 A CA 0.991 53.114 52.037 0.143 0.000 0.660 162 A CB -1.235 17.852 19.000 0.144 0.000 0.910 162 A HN 0.130 nan 8.150 nan 0.000 0.465 163 A N -0.676 122.232 122.820 0.148 0.000 2.015 163 A HA -0.042 4.278 4.320 -0.000 0.000 0.219 163 A C 2.116 179.591 177.584 -0.181 0.000 1.163 163 A CA 1.664 53.696 52.037 -0.009 0.000 0.646 163 A CB -0.494 18.524 19.000 0.030 0.000 0.806 163 A HN 0.410 nan 8.150 nan 0.000 0.448 164 M N -0.229 119.321 119.600 -0.083 0.000 2.175 164 M HA -0.087 4.393 4.480 -0.000 0.000 0.264 164 M C 1.950 178.184 176.300 -0.109 0.000 1.063 164 M CA 1.111 56.323 55.300 -0.146 0.000 1.119 164 M CB -0.962 31.599 32.600 -0.065 0.000 1.377 164 M HN 0.328 nan 8.290 nan 0.000 0.415 165 I N 0.462 121.022 120.570 -0.017 0.000 2.113 165 I HA -0.198 3.971 4.170 -0.000 0.000 0.238 165 I C 2.705 178.849 176.117 0.044 0.000 1.070 165 I CA 1.626 62.955 61.300 0.048 0.000 1.332 165 I CB -1.994 36.085 38.000 0.131 0.000 1.044 165 I HN 0.155 nan 8.210 nan 0.000 0.402 166 A N 0.872 123.699 122.820 0.012 0.000 1.883 166 A HA -0.232 4.087 4.320 -0.000 0.000 0.217 166 A C 2.457 179.984 177.584 -0.096 0.000 1.186 166 A CA 1.712 53.742 52.037 -0.011 0.000 0.624 166 A CB -0.837 18.117 19.000 -0.075 0.000 0.822 166 A HN 0.331 nan 8.150 nan 0.000 0.444 167 R N -0.886 119.392 120.500 -0.371 0.000 2.276 167 R HA -0.155 4.185 4.340 -0.000 0.000 0.243 167 R C 1.614 177.718 176.300 -0.326 0.000 1.161 167 R CA 1.758 57.504 56.100 -0.590 0.000 1.007 167 R CB -0.095 29.685 30.300 -0.867 0.000 0.867 167 R HN 0.576 nan 8.270 nan 0.000 0.472 168 K N -1.773 118.504 120.400 -0.205 0.000 2.424 168 K HA 0.101 4.420 4.320 -0.000 0.000 0.200 168 K C 1.746 178.246 176.600 -0.167 0.000 1.279 168 K CA 0.143 56.339 56.287 -0.151 0.000 0.918 168 K CB 0.504 32.976 32.500 -0.047 0.000 1.287 168 K HN -0.106 nan 8.250 nan 0.000 0.502 169 V N 1.604 121.495 119.914 -0.038 0.000 2.307 169 V HA -0.167 3.952 4.120 -0.000 0.000 0.245 169 V C 2.311 178.415 176.094 0.017 0.000 1.045 169 V CA 2.341 64.657 62.300 0.027 0.000 1.024 169 V CB -1.042 30.905 31.823 0.206 0.000 0.651 169 V HN 0.483 nan 8.190 nan 0.000 0.449 170 G N 1.208 110.059 108.800 0.084 0.000 2.672 170 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 170 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 170 G C -0.178 174.601 174.900 -0.201 0.000 1.238 170 G CA 1.587 46.745 45.100 0.097 0.000 0.791 170 G HN 0.522 nan 8.290 nan 0.000 0.606 171 P HA -0.017 nan 4.420 nan 0.000 0.216 171 P C 2.119 178.992 177.300 -0.712 0.000 1.150 171 P CA 2.068 64.552 63.100 -1.027 0.000 0.837 171 P CB -0.226 30.558 31.700 -1.527 0.000 0.786 172 A N -0.845 121.499 122.820 -0.793 0.000 1.902 172 A HA -0.153 4.166 4.320 -0.000 0.000 0.217 172 A C 2.058 179.638 177.584 -0.007 0.000 1.181 172 A CA 1.506 53.317 52.037 -0.375 0.000 0.623 172 A CB -1.592 17.281 19.000 -0.212 0.000 0.818 172 A HN 0.085 nan 8.150 nan 0.000 0.443 173 L N -0.677 120.581 121.223 0.059 0.000 2.156 173 L HA 0.016 4.356 4.340 -0.000 0.000 0.208 173 L C 2.861 180.026 176.870 0.492 0.000 1.095 173 L CA 1.609 56.666 54.840 0.361 0.000 0.770 173 L CB -0.709 41.501 42.059 0.252 0.000 0.914 173 L HN 0.385 nan 8.230 nan 0.000 0.439 174 A N -0.847 122.114 122.820 0.236 0.000 1.929 174 A HA 0.004 4.324 4.320 -0.000 0.000 0.216 174 A C 2.372 180.027 177.584 0.119 0.000 1.176 174 A CA 1.260 53.400 52.037 0.173 0.000 0.628 174 A CB -0.696 18.402 19.000 0.163 0.000 0.816 174 A HN 0.325 nan 8.150 nan 0.000 0.444 175 A N -1.556 121.337 122.820 0.122 0.000 2.168 175 A HA 0.374 4.693 4.320 -0.000 0.000 0.215 175 A C 1.722 179.414 177.584 0.179 0.000 1.152 175 A CA 1.346 53.467 52.037 0.141 0.000 0.716 175 A CB -0.903 18.198 19.000 0.169 0.000 0.794 175 A HN 1.925 nan 8.150 nan 0.000 0.465 176 G N -2.119 106.830 108.800 0.248 0.000 2.164 176 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.212 176 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.212 176 G C -0.061 175.208 174.900 0.614 0.000 1.031 176 G CA -0.131 45.152 45.100 0.305 0.000 0.730 176 G HN 0.641 nan 8.290 nan 0.000 0.501 177 C N 1.105 120.684 119.300 0.464 0.000 2.397 177 C HA 0.848 5.308 4.460 -0.000 0.000 0.343 177 C C -1.658 173.366 174.990 0.055 0.000 1.188 177 C CA -1.488 57.626 59.018 0.160 0.000 1.992 177 C CB 1.972 29.719 27.740 0.011 0.000 2.358 177 C HN 0.453 nan 8.230 nan 0.000 0.518 178 P HA 0.537 nan 4.420 nan 0.000 0.286 178 P C -1.100 176.099 177.300 -0.169 0.000 1.261 178 P CA -0.152 62.826 63.100 -0.204 0.000 0.821 178 P CB 1.361 32.967 31.700 -0.156 0.000 1.013 179 I N 1.889 122.362 120.570 -0.161 0.000 2.689 179 I HA 0.389 4.559 4.170 -0.000 0.000 0.299 179 I C -1.188 174.872 176.117 -0.095 0.000 1.059 179 I CA -1.322 59.917 61.300 -0.102 0.000 1.055 179 I CB 2.296 40.257 38.000 -0.066 0.000 1.243 179 I HN -0.015 nan 8.210 nan 0.000 0.425 180 V N 7.252 127.129 119.914 -0.062 0.000 2.384 180 V HA 0.421 4.541 4.120 -0.000 0.000 0.287 180 V C -0.381 175.707 176.094 -0.011 0.000 1.020 180 V CA -0.579 61.693 62.300 -0.047 0.000 0.850 180 V CB 1.502 33.296 31.823 -0.048 0.000 0.987 180 V HN 0.423 nan 8.190 nan 0.000 0.436 181 V N 4.776 124.691 119.914 0.001 0.000 2.459 181 V HA 0.515 4.635 4.120 -0.000 0.000 0.295 181 V C -0.027 176.093 176.094 0.043 0.000 1.029 181 V CA -0.848 61.470 62.300 0.029 0.000 0.874 181 V CB 1.841 33.685 31.823 0.036 0.000 0.985 181 V HN 0.831 nan 8.190 nan 0.000 0.438 182 K N 7.027 127.463 120.400 0.060 0.000 2.449 182 K HA 0.471 4.790 4.320 -0.000 0.000 0.257 182 K C -2.697 173.957 176.600 0.089 0.000 0.989 182 K CA -1.750 54.582 56.287 0.075 0.000 0.916 182 K CB 2.283 34.830 32.500 0.077 0.000 1.136 182 K HN 0.420 nan 8.250 nan 0.000 0.439 183 P HA 0.094 nan 4.420 nan 0.000 0.275 183 P C -0.691 176.683 177.300 0.123 0.000 1.266 183 P CA -0.458 62.702 63.100 0.099 0.000 0.793 183 P CB 0.586 32.342 31.700 0.095 0.000 1.074 184 A N -0.034 122.874 122.820 0.147 0.000 2.477 184 A HA 0.374 4.694 4.320 -0.000 0.000 0.246 184 A C 1.742 179.430 177.584 0.173 0.000 1.078 184 A CA 0.431 52.580 52.037 0.187 0.000 0.770 184 A CB -0.925 18.254 19.000 0.299 0.000 1.011 184 A HN 0.625 nan 8.150 nan 0.000 0.494 185 E N 1.734 122.025 120.200 0.152 0.000 2.160 185 E HA -0.182 4.168 4.350 -0.000 0.000 0.195 185 E C 2.238 178.973 176.600 0.225 0.000 0.991 185 E CA 1.968 58.490 56.400 0.204 0.000 0.810 185 E CB -0.679 28.959 29.700 -0.103 0.000 0.742 185 E HN 0.839 nan 8.360 nan 0.000 0.466 186 S N -0.037 115.740 115.700 0.129 0.000 2.368 186 S HA -0.090 4.379 4.470 -0.000 0.000 0.225 186 S C 1.539 176.207 174.600 0.114 0.000 1.030 186 S CA 1.848 60.099 58.200 0.085 0.000 0.999 186 S CB -0.212 62.956 63.200 -0.053 0.000 0.844 186 S HN 0.804 nan 8.310 nan 0.000 0.459 187 T N -0.551 114.091 114.554 0.146 0.000 3.401 187 T HA 0.499 4.849 4.350 -0.000 0.000 0.341 187 T C -2.379 172.362 174.700 0.070 0.000 1.674 187 T CA -1.308 60.874 62.100 0.135 0.000 1.600 187 T CB 1.521 70.512 68.868 0.206 0.000 0.974 187 T HN 0.145 nan 8.240 nan 0.000 0.672 188 P HA 0.217 nan 4.420 nan 0.000 0.239 188 P C 0.950 178.161 177.300 -0.149 0.000 1.188 188 P CA -0.050 62.959 63.100 -0.152 0.000 0.794 188 P CB -0.084 31.439 31.700 -0.295 0.000 0.937 189 F N 0.553 120.514 119.950 0.019 0.000 2.206 189 F HA -0.054 4.473 4.527 -0.000 0.000 0.298 189 F C 2.530 178.343 175.800 0.022 0.000 1.090 189 F CA 1.160 59.147 58.000 -0.022 0.000 1.323 189 F CB -1.447 37.511 39.000 -0.069 0.000 1.028 189 F HN -0.127 nan 8.300 nan 0.000 0.492 190 S N 0.204 116.040 115.700 0.226 0.000 2.359 190 S HA -0.235 4.235 4.470 -0.000 0.000 0.224 190 S C 2.411 177.112 174.600 0.168 0.000 1.035 190 S CA 1.280 59.584 58.200 0.173 0.000 1.018 190 S CB -0.783 62.509 63.200 0.154 0.000 0.876 190 S HN 0.372 nan 8.310 nan 0.000 0.448 191 A N 1.173 124.084 122.820 0.151 0.000 1.902 191 A HA 0.001 4.321 4.320 -0.000 0.000 0.217 191 A C 2.123 179.808 177.584 0.169 0.000 1.181 191 A CA 1.165 53.292 52.037 0.150 0.000 0.623 191 A CB -0.685 18.386 19.000 0.118 0.000 0.818 191 A HN 0.461 nan 8.150 nan 0.000 0.443 192 L N -0.928 120.399 121.223 0.174 0.000 2.093 192 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 192 L C 3.067 180.093 176.870 0.260 0.000 1.085 192 L CA 0.867 55.851 54.840 0.240 0.000 0.755 192 L CB -0.529 41.660 42.059 0.216 0.000 0.904 192 L HN 0.438 nan 8.230 nan 0.000 0.435 193 A N -0.256 122.686 122.820 0.204 0.000 1.933 193 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 193 A C 2.316 180.059 177.584 0.264 0.000 1.175 193 A CA 1.633 53.795 52.037 0.209 0.000 0.628 193 A CB -0.379 18.715 19.000 0.157 0.000 0.814 193 A HN 0.332 nan 8.150 nan 0.000 0.444 194 M N -1.009 118.746 119.600 0.258 0.000 2.288 194 M HA -0.049 4.431 4.480 -0.000 0.000 0.266 194 M C 2.540 178.986 176.300 0.243 0.000 1.072 194 M CA 1.051 56.557 55.300 0.343 0.000 1.132 194 M CB -0.427 32.412 32.600 0.399 0.000 1.386 194 M HN 0.502 nan 8.290 nan 0.000 0.432 195 A N 0.305 123.202 122.820 0.129 0.000 1.908 195 A HA -0.223 4.097 4.320 -0.000 0.000 0.218 195 A C 1.918 179.427 177.584 -0.125 0.000 1.181 195 A CA 1.527 53.493 52.037 -0.118 0.000 0.627 195 A CB -0.941 17.947 19.000 -0.187 0.000 0.818 195 A HN 0.486 nan 8.150 nan 0.000 0.445 196 F N 0.308 120.273 119.950 0.026 0.000 2.186 196 F HA -0.013 4.514 4.527 -0.000 0.000 0.299 196 F C 1.863 177.685 175.800 0.037 0.000 1.090 196 F CA 1.091 59.152 58.000 0.100 0.000 1.307 196 F CB -0.291 38.745 39.000 0.061 0.000 1.019 196 F HN 0.125 nan 8.300 nan 0.000 0.489 197 L N -0.576 120.660 121.223 0.022 0.000 2.156 197 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 197 L C 2.661 179.509 176.870 -0.037 0.000 1.095 197 L CA 1.002 55.842 54.840 -0.000 0.000 0.770 197 L CB -1.040 41.161 42.059 0.237 0.000 0.914 197 L HN 0.162 nan 8.230 nan 0.000 0.439 198 A N -0.416 122.246 122.820 -0.262 0.000 2.015 198 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 198 A C 2.267 179.649 177.584 -0.336 0.000 1.163 198 A CA 1.455 53.095 52.037 -0.662 0.000 0.646 198 A CB -0.355 17.925 19.000 -1.201 0.000 0.806 198 A HN 0.449 nan 8.150 nan 0.000 0.448 199 E N -0.284 119.773 120.200 -0.239 0.000 2.107 199 E HA -0.170 4.180 4.350 -0.000 0.000 0.191 199 E C 2.219 178.764 176.600 -0.092 0.000 0.982 199 E CA 0.822 57.159 56.400 -0.104 0.000 0.809 199 E CB -0.124 29.581 29.700 0.007 0.000 0.756 199 E HN 0.595 nan 8.360 nan 0.000 0.459 200 R N -0.078 120.312 120.500 -0.183 0.000 2.148 200 R HA -0.017 4.323 4.340 -0.000 0.000 0.223 200 R C 2.103 178.368 176.300 -0.057 0.000 1.088 200 R CA 0.918 56.926 56.100 -0.153 0.000 0.985 200 R CB -0.090 30.048 30.300 -0.270 0.000 0.880 200 R HN 0.146 nan 8.270 nan 0.000 0.451 201 A N -0.124 122.674 122.820 -0.038 0.000 1.933 201 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 201 A C 1.559 179.169 177.584 0.043 0.000 1.175 201 A CA 1.587 53.648 52.037 0.040 0.000 0.628 201 A CB -0.367 18.687 19.000 0.090 0.000 0.814 201 A HN 0.556 nan 8.150 nan 0.000 0.444 202 G N -2.617 106.188 108.800 0.009 0.000 2.164 202 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.154 202 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.154 202 G C 0.044 174.970 174.900 0.043 0.000 1.014 202 G CA -0.140 44.983 45.100 0.039 0.000 0.683 202 G HN 0.769 nan 8.290 nan 0.000 0.500 203 V N 2.333 122.224 119.914 -0.038 0.000 2.509 203 V HA 0.223 4.343 4.120 -0.000 0.000 0.297 203 V C -1.067 174.964 176.094 -0.104 0.000 1.014 203 V CA -0.189 62.027 62.300 -0.140 0.000 1.127 203 V CB 0.569 32.207 31.823 -0.307 0.000 0.925 203 V HN 0.243 nan 8.190 nan 0.000 0.480 204 P HA 0.286 nan 4.420 nan 0.000 0.271 204 P C 0.008 177.250 177.300 -0.098 0.000 1.218 204 P CA -0.174 62.907 63.100 -0.032 0.000 0.780 204 P CB 0.352 32.084 31.700 0.052 0.000 0.901 205 K N 1.572 121.931 120.400 -0.069 0.000 2.524 205 K HA 0.363 4.683 4.320 -0.000 0.000 0.279 205 K C 1.390 177.900 176.600 -0.151 0.000 0.993 205 K CA 0.377 56.590 56.287 -0.124 0.000 1.030 205 K CB -1.356 31.082 32.500 -0.103 0.000 0.891 205 K HN 0.935 nan 8.250 nan 0.000 0.488 206 G N 0.029 108.695 108.800 -0.222 0.000 2.284 206 G HA2 -0.281 3.678 3.960 -0.000 0.000 0.230 206 G HA3 -0.281 3.678 3.960 -0.000 0.000 0.230 206 G C 1.375 176.151 174.900 -0.207 0.000 1.021 206 G CA 0.600 45.584 45.100 -0.194 0.000 0.619 206 G HN 1.152 nan 8.290 nan 0.000 0.510 207 V N 0.308 120.064 119.914 -0.263 0.000 2.548 207 V HA 0.330 4.450 4.120 -0.000 0.000 0.249 207 V C 1.081 176.966 176.094 -0.347 0.000 1.055 207 V CA 1.864 63.933 62.300 -0.385 0.000 1.065 207 V CB 0.071 31.460 31.823 -0.723 0.000 0.681 207 V HN 0.525 nan 8.190 nan 0.000 0.462 208 L N -0.332 120.725 121.223 -0.277 0.000 2.356 208 L HA 0.673 5.013 4.340 -0.000 0.000 0.277 208 L C -0.583 176.213 176.870 -0.123 0.000 0.996 208 L CA 0.223 54.950 54.840 -0.190 0.000 0.822 208 L CB 1.987 43.928 42.059 -0.197 0.000 1.256 208 L HN -0.039 nan 8.230 nan 0.000 0.413 209 S N 3.353 118.992 115.700 -0.101 0.000 2.538 209 S HA 0.750 5.220 4.470 -0.000 0.000 0.288 209 S C -1.213 173.379 174.600 -0.012 0.000 1.108 209 S CA -0.562 57.579 58.200 -0.098 0.000 0.971 209 S CB 2.032 65.137 63.200 -0.159 0.000 1.041 209 S HN 0.383 nan 8.310 nan 0.000 0.483 210 V N 3.387 123.323 119.914 0.037 0.000 2.304 210 V HA 0.386 4.505 4.120 -0.000 0.000 0.278 210 V C -0.356 175.762 176.094 0.041 0.000 1.018 210 V CA -0.716 61.616 62.300 0.054 0.000 0.814 210 V CB 1.101 32.980 31.823 0.092 0.000 1.021 210 V HN 0.673 nan 8.190 nan 0.000 0.440 211 V N 6.409 126.340 119.914 0.029 0.000 2.432 211 V HA 0.481 4.601 4.120 -0.000 0.000 0.275 211 V C -0.123 176.009 176.094 0.062 0.000 1.043 211 V CA -0.233 62.087 62.300 0.032 0.000 0.925 211 V CB 1.434 33.268 31.823 0.018 0.000 0.985 211 V HN 0.644 nan 8.190 nan 0.000 0.466 212 I N 3.853 124.467 120.570 0.073 0.000 2.509 212 I HA 0.917 5.086 4.170 -0.000 0.000 0.293 212 I C 0.593 176.811 176.117 0.169 0.000 1.020 212 I CA 0.616 61.984 61.300 0.112 0.000 1.088 212 I CB 1.792 39.823 38.000 0.052 0.000 1.267 212 I HN 0.877 nan 8.210 nan 0.000 0.430 213 G N 4.056 113.018 108.800 0.269 0.000 2.439 213 G HA2 -0.007 3.953 3.960 -0.000 0.000 0.186 213 G HA3 -0.007 3.953 3.960 -0.000 0.000 0.186 213 G C -1.383 173.595 174.900 0.129 0.000 1.260 213 G CA -0.860 44.426 45.100 0.311 0.000 1.020 213 G HN 0.474 nan 8.290 nan 0.000 0.470 214 D N 2.400 122.840 120.400 0.068 0.000 2.389 214 D HA 0.326 4.966 4.640 -0.000 0.000 0.263 214 D C -0.466 175.837 176.300 0.005 0.000 1.255 214 D CA -1.358 52.642 54.000 -0.001 0.000 0.914 214 D CB 1.430 42.234 40.800 0.007 0.000 1.116 214 D HN 0.061 nan 8.370 nan 0.000 0.502 215 P HA -0.136 nan 4.420 nan 0.000 0.223 215 P C 0.959 178.262 177.300 0.006 0.000 1.151 215 P CA 1.165 64.272 63.100 0.012 0.000 0.787 215 P CB 0.186 31.892 31.700 0.011 0.000 0.788 216 K N 0.422 120.817 120.400 -0.008 0.000 2.067 216 K HA 0.222 4.542 4.320 -0.000 0.000 0.203 216 K C 2.349 178.943 176.600 -0.011 0.000 1.048 216 K CA 1.342 57.621 56.287 -0.013 0.000 0.954 216 K CB -1.460 31.030 32.500 -0.017 0.000 0.737 216 K HN 0.153 nan 8.250 nan 0.000 0.444 217 A N 0.740 123.557 122.820 -0.005 0.000 1.929 217 A HA 0.116 4.436 4.320 -0.000 0.000 0.216 217 A C 2.428 180.012 177.584 0.001 0.000 1.176 217 A CA 1.360 53.396 52.037 -0.002 0.000 0.628 217 A CB -0.339 18.663 19.000 0.003 0.000 0.816 217 A HN 0.456 nan 8.150 nan 0.000 0.444 218 I N -0.236 120.340 120.570 0.009 0.000 2.142 218 I HA -0.194 3.975 4.170 -0.000 0.000 0.240 218 I C 2.773 178.892 176.117 0.004 0.000 1.078 218 I CA 1.192 62.500 61.300 0.013 0.000 1.343 218 I CB -0.727 37.291 38.000 0.030 0.000 1.046 218 I HN 0.378 nan 8.210 nan 0.000 0.405 219 G N 0.300 109.102 108.800 0.002 0.000 2.476 219 G HA2 -0.280 3.679 3.960 -0.000 0.000 0.218 219 G HA3 -0.280 3.679 3.960 -0.000 0.000 0.218 219 G C 1.642 176.524 174.900 -0.029 0.000 1.164 219 G CA 1.695 46.785 45.100 -0.016 0.000 0.768 219 G HN 0.321 nan 8.290 nan 0.000 0.560 220 T N 0.523 115.062 114.554 -0.026 0.000 2.788 220 T HA -0.079 4.271 4.350 -0.000 0.000 0.268 220 T C 2.192 176.878 174.700 -0.023 0.000 1.044 220 T CA 1.635 63.718 62.100 -0.028 0.000 1.139 220 T CB -0.109 68.745 68.868 -0.023 0.000 0.867 220 T HN 0.406 nan 8.240 nan 0.000 0.454 221 E N 1.161 121.351 120.200 -0.017 0.000 2.072 221 E HA -0.006 4.344 4.350 -0.000 0.000 0.191 221 E C 1.986 178.575 176.600 -0.019 0.000 0.985 221 E CA 0.921 57.312 56.400 -0.016 0.000 0.801 221 E CB -0.530 29.163 29.700 -0.011 0.000 0.750 221 E HN 0.516 nan 8.360 nan 0.000 0.452 222 I N 0.558 121.117 120.570 -0.019 0.000 2.226 222 I HA -0.272 3.897 4.170 -0.000 0.000 0.245 222 I C 2.287 178.386 176.117 -0.029 0.000 1.100 222 I CA 1.816 63.103 61.300 -0.022 0.000 1.374 222 I CB -0.494 37.498 38.000 -0.013 0.000 1.057 222 I HN 0.299 nan 8.210 nan 0.000 0.413 223 T N -2.714 111.819 114.554 -0.035 0.000 3.014 223 T HA -0.033 4.317 4.350 -0.000 0.000 0.263 223 T C 1.786 176.465 174.700 -0.035 0.000 1.078 223 T CA 0.935 63.010 62.100 -0.042 0.000 1.135 223 T CB -0.317 68.517 68.868 -0.056 0.000 0.895 223 T HN 0.397 nan 8.240 nan 0.000 0.480 224 S N 0.767 116.449 115.700 -0.029 0.000 2.503 224 S HA 0.150 4.620 4.470 -0.000 0.000 0.217 224 S C 0.905 175.492 174.600 -0.021 0.000 0.999 224 S CA -0.481 57.704 58.200 -0.024 0.000 0.914 224 S CB -0.611 62.576 63.200 -0.021 0.000 0.782 224 S HN 0.394 nan 8.310 nan 0.000 0.520 225 N N 3.959 122.646 118.700 -0.022 0.000 2.431 225 N HA 0.185 4.925 4.740 -0.000 0.000 0.265 225 N C -1.629 173.869 175.510 -0.021 0.000 1.184 225 N CA -1.713 51.325 53.050 -0.020 0.000 0.943 225 N CB 1.310 39.784 38.487 -0.022 0.000 1.080 225 N HN 0.113 nan 8.380 nan 0.000 0.477 226 P HA -0.077 nan 4.420 nan 0.000 0.223 226 P C 1.436 178.729 177.300 -0.013 0.000 1.151 226 P CA 0.904 63.997 63.100 -0.012 0.000 0.787 226 P CB 0.383 32.081 31.700 -0.003 0.000 0.788 227 I N -0.661 119.901 120.570 -0.014 0.000 2.454 227 I HA -0.112 4.058 4.170 -0.000 0.000 0.254 227 I C 0.850 176.937 176.117 -0.049 0.000 1.156 227 I CA 0.684 61.974 61.300 -0.017 0.000 1.433 227 I CB -0.455 37.538 38.000 -0.012 0.000 1.082 227 I HN -0.257 nan 8.210 nan 0.000 0.432 228 V N 2.529 122.412 119.914 -0.052 0.000 2.397 228 V HA 0.058 4.178 4.120 -0.000 0.000 0.262 228 V C 1.255 177.306 176.094 -0.071 0.000 1.047 228 V CA 0.254 62.512 62.300 -0.070 0.000 1.003 228 V CB 0.570 32.360 31.823 -0.055 0.000 1.037 228 V HN 0.282 nan 8.190 nan 0.000 0.480 229 R N 2.967 123.407 120.500 -0.100 0.000 2.210 229 R HA 0.122 4.461 4.340 -0.000 0.000 0.203 229 R C 0.553 176.802 176.300 -0.085 0.000 1.010 229 R CA 0.402 56.449 56.100 -0.087 0.000 1.008 229 R CB 0.294 30.531 30.300 -0.105 0.000 0.923 229 R HN 0.742 nan 8.270 nan 0.000 0.469 230 K N 0.078 120.420 120.400 -0.097 0.000 2.523 230 K HA 0.350 4.670 4.320 -0.000 0.000 0.257 230 K C -1.822 174.733 176.600 -0.076 0.000 0.932 230 K CA -0.911 55.315 56.287 -0.101 0.000 0.812 230 K CB 1.820 34.227 32.500 -0.156 0.000 1.326 230 K HN -0.124 nan 8.250 nan 0.000 0.433 231 L N 1.698 122.884 121.223 -0.062 0.000 2.365 231 L HA 0.618 4.958 4.340 -0.000 0.000 0.273 231 L C -1.276 175.595 176.870 0.000 0.000 1.000 231 L CA -0.007 54.822 54.840 -0.017 0.000 0.819 231 L CB 2.304 44.358 42.059 -0.008 0.000 1.284 231 L HN 0.809 nan 8.230 nan 0.000 0.418 232 S N 4.343 120.075 115.700 0.053 0.000 2.478 232 S HA 0.705 5.174 4.470 -0.000 0.000 0.312 232 S C -1.309 173.396 174.600 0.176 0.000 1.094 232 S CA -0.405 57.846 58.200 0.086 0.000 1.081 232 S CB 0.454 63.712 63.200 0.096 0.000 1.007 232 S HN 0.494 nan 8.310 nan 0.000 0.475 233 F N 3.586 123.539 119.950 0.006 0.000 2.529 233 F HA 0.641 5.168 4.527 -0.000 0.000 0.320 233 F C -0.635 175.178 175.800 0.021 0.000 1.118 233 F CA -0.223 57.785 58.000 0.012 0.000 0.915 233 F CB 2.150 41.155 39.000 0.008 0.000 1.161 233 F HN 0.463 nan 8.300 nan 0.000 0.445 234 T N 4.656 118.749 114.554 -0.769 0.000 2.847 234 T HA 0.779 5.129 4.350 -0.000 0.000 0.291 234 T C -0.144 173.941 174.700 -1.024 0.000 0.998 234 T CA -0.352 61.344 62.100 -0.675 0.000 0.967 234 T CB 1.053 69.749 68.868 -0.288 0.000 0.954 234 T HN 1.087 nan 8.240 nan 0.000 0.441 235 G N 1.799 110.064 108.800 -0.891 0.000 2.392 235 G HA2 0.479 4.439 3.960 -0.000 0.000 0.260 235 G HA3 0.479 4.439 3.960 -0.000 0.000 0.260 235 G C -0.581 174.275 174.900 -0.074 0.000 1.226 235 G CA -0.277 44.522 45.100 -0.502 0.000 0.913 235 G HN 0.893 nan 8.290 nan 0.000 0.483 236 S N -0.334 115.444 115.700 0.130 0.000 2.572 236 S HA 0.382 4.852 4.470 -0.000 0.000 0.279 236 S C 1.485 176.227 174.600 0.237 0.000 1.341 236 S CA 1.199 59.475 58.200 0.126 0.000 1.043 236 S CB 1.119 64.375 63.200 0.092 0.000 0.887 236 S HN 0.866 nan 8.310 nan 0.000 0.516 237 T N 3.364 118.022 114.554 0.173 0.000 2.684 237 T HA -0.139 4.211 4.350 -0.000 0.000 0.267 237 T C 2.215 177.011 174.700 0.160 0.000 1.036 237 T CA 1.803 64.031 62.100 0.214 0.000 1.148 237 T CB -1.009 68.047 68.868 0.313 0.000 0.863 237 T HN 0.899 nan 8.240 nan 0.000 0.436 238 A N 0.868 123.765 122.820 0.127 0.000 1.908 238 A HA -0.085 4.235 4.320 -0.000 0.000 0.218 238 A C 2.611 180.216 177.584 0.035 0.000 1.181 238 A CA 1.617 53.700 52.037 0.075 0.000 0.627 238 A CB -1.030 18.009 19.000 0.064 0.000 0.818 238 A HN 0.378 nan 8.150 nan 0.000 0.445 239 V N -0.257 119.687 119.914 0.051 0.000 2.379 239 V HA -0.122 3.998 4.120 -0.000 0.000 0.245 239 V C 2.842 178.783 176.094 -0.255 0.000 1.044 239 V CA 1.741 64.003 62.300 -0.063 0.000 1.036 239 V CB -1.493 30.349 31.823 0.031 0.000 0.664 239 V HN 0.610 nan 8.190 nan 0.000 0.453 240 G N 0.003 108.727 108.800 -0.127 0.000 2.476 240 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 240 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 240 G C 1.756 176.584 174.900 -0.121 0.000 1.164 240 G CA 1.075 46.080 45.100 -0.159 0.000 0.768 240 G HN 0.425 nan 8.290 nan 0.000 0.560 241 R N -0.286 120.189 120.500 -0.041 0.000 2.073 241 R HA 0.074 4.414 4.340 -0.000 0.000 0.234 241 R C 2.705 178.963 176.300 -0.069 0.000 1.134 241 R CA 1.054 57.132 56.100 -0.036 0.000 0.952 241 R CB -0.459 29.837 30.300 -0.007 0.000 0.850 241 R HN 0.339 nan 8.270 nan 0.000 0.433 242 L N 0.469 121.638 121.223 -0.089 0.000 2.042 242 L HA -0.205 4.134 4.340 -0.000 0.000 0.210 242 L C 2.255 179.050 176.870 -0.125 0.000 1.076 242 L CA 1.268 56.051 54.840 -0.095 0.000 0.749 242 L CB -0.454 41.550 42.059 -0.092 0.000 0.893 242 L HN 0.237 nan 8.230 nan 0.000 0.432 243 L N -1.074 120.029 121.223 -0.201 0.000 2.275 243 L HA -0.192 4.148 4.340 -0.000 0.000 0.215 243 L C 2.518 179.306 176.870 -0.137 0.000 1.119 243 L CA 0.888 55.601 54.840 -0.212 0.000 0.790 243 L CB -0.277 41.555 42.059 -0.378 0.000 0.919 243 L HN 0.367 nan 8.230 nan 0.000 0.443 244 M N -0.599 118.935 119.600 -0.110 0.000 2.288 244 M HA -0.072 4.408 4.480 -0.000 0.000 0.266 244 M C 2.275 178.541 176.300 -0.055 0.000 1.072 244 M CA 1.393 56.653 55.300 -0.068 0.000 1.132 244 M CB 0.063 32.634 32.600 -0.048 0.000 1.386 244 M HN 0.240 nan 8.290 nan 0.000 0.432 245 A N -0.171 122.614 122.820 -0.057 0.000 1.968 245 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 245 A C 1.873 179.429 177.584 -0.046 0.000 1.169 245 A CA 1.306 53.316 52.037 -0.045 0.000 0.638 245 A CB -0.521 18.454 19.000 -0.042 0.000 0.812 245 A HN 0.646 nan 8.150 nan 0.000 0.446 246 Q N -0.565 119.201 119.800 -0.058 0.000 2.311 246 Q HA 0.010 4.350 4.340 -0.000 0.000 0.203 246 Q C 1.738 177.710 176.000 -0.048 0.000 0.954 246 Q CA 1.252 57.023 55.803 -0.054 0.000 0.885 246 Q CB 0.132 28.830 28.738 -0.067 0.000 0.963 246 Q HN 0.612 nan 8.270 nan 0.000 0.471 247 S N -0.119 115.550 115.700 -0.050 0.000 2.517 247 S HA 0.134 4.604 4.470 -0.000 0.000 0.214 247 S C 1.785 176.365 174.600 -0.034 0.000 0.991 247 S CA 0.362 58.536 58.200 -0.043 0.000 0.906 247 S CB 0.344 63.515 63.200 -0.048 0.000 0.789 247 S HN 0.407 nan 8.310 nan 0.000 0.513 248 A N 2.861 125.662 122.820 -0.032 0.000 1.940 248 A HA -0.032 4.288 4.320 -0.000 0.000 0.219 248 A C -0.215 177.357 177.584 -0.021 0.000 1.176 248 A CA 1.378 53.399 52.037 -0.026 0.000 0.631 248 A CB -1.829 17.156 19.000 -0.025 0.000 0.814 248 A HN 0.354 nan 8.150 nan 0.000 0.446 249 P HA -0.103 nan 4.420 nan 0.000 0.220 249 P C 1.049 178.340 177.300 -0.015 0.000 1.144 249 P CA 1.936 65.026 63.100 -0.017 0.000 0.800 249 P CB -0.109 31.580 31.700 -0.018 0.000 0.772 250 T N -6.395 108.149 114.554 -0.018 0.000 3.091 250 T HA 0.202 4.552 4.350 -0.000 0.000 0.277 250 T C 0.389 175.079 174.700 -0.017 0.000 0.996 250 T CA -0.265 61.826 62.100 -0.016 0.000 0.897 250 T CB -0.685 68.172 68.868 -0.017 0.000 1.109 250 T HN -0.163 nan 8.240 nan 0.000 0.534 251 V N 1.215 121.117 119.914 -0.019 0.000 5.830 251 V HA -0.241 3.879 4.120 -0.000 0.000 0.274 251 V C 0.282 176.362 176.094 -0.023 0.000 0.632 251 V CA 0.644 62.934 62.300 -0.018 0.000 0.594 251 V CB -2.333 29.483 31.823 -0.011 0.000 0.249 251 V HN 0.688 nan 8.190 nan 0.000 0.697 252 K N 0.395 120.777 120.400 -0.030 0.000 2.295 252 K HA 0.425 4.745 4.320 -0.000 0.000 0.270 252 K C 0.333 176.907 176.600 -0.043 0.000 1.011 252 K CA -0.813 55.450 56.287 -0.039 0.000 0.953 252 K CB 0.716 33.190 32.500 -0.045 0.000 0.956 252 K HN 0.302 nan 8.250 nan 0.000 0.477 253 K N 2.454 122.821 120.400 -0.055 0.000 2.368 253 K HA 0.105 4.425 4.320 -0.000 0.000 0.282 253 K C -1.060 175.492 176.600 -0.079 0.000 1.035 253 K CA -0.063 56.185 56.287 -0.066 0.000 0.973 253 K CB 0.252 32.703 32.500 -0.083 0.000 0.957 253 K HN 0.281 nan 8.250 nan 0.000 0.474 254 L N 3.548 124.733 121.223 -0.063 0.000 2.346 254 L HA 0.477 4.817 4.340 -0.000 0.000 0.276 254 L C -0.497 176.343 176.870 -0.049 0.000 1.006 254 L CA -0.080 54.732 54.840 -0.048 0.000 0.817 254 L CB 2.102 44.148 42.059 -0.022 0.000 1.272 254 L HN 0.718 nan 8.230 nan 0.000 0.421 255 T N 4.790 119.321 114.554 -0.039 0.000 2.797 255 T HA 0.721 5.071 4.350 -0.000 0.000 0.279 255 T C -0.493 174.245 174.700 0.064 0.000 0.991 255 T CA -0.326 61.771 62.100 -0.005 0.000 0.979 255 T CB 0.778 69.628 68.868 -0.030 0.000 0.943 255 T HN 0.284 nan 8.240 nan 0.000 0.444 256 L N 3.392 124.661 121.223 0.077 0.000 2.415 256 L HA 0.426 4.766 4.340 -0.000 0.000 0.268 256 L C -0.129 176.799 176.870 0.097 0.000 0.984 256 L CA -0.814 54.105 54.840 0.132 0.000 0.853 256 L CB 1.559 43.706 42.059 0.147 0.000 1.215 256 L HN 0.465 nan 8.230 nan 0.000 0.419 257 E N 5.581 125.824 120.200 0.072 0.000 2.014 257 E HA 0.479 4.829 4.350 -0.000 0.000 0.275 257 E C -0.496 176.116 176.600 0.021 0.000 0.997 257 E CA -0.169 56.265 56.400 0.057 0.000 0.804 257 E CB 1.854 31.602 29.700 0.081 0.000 1.090 257 E HN 0.499 nan 8.360 nan 0.000 0.401 258 L N 0.192 121.451 121.223 0.061 0.000 2.391 258 L HA 0.590 4.929 4.340 -0.000 0.000 0.266 258 L C 1.177 178.081 176.870 0.056 0.000 1.035 258 L CA -1.304 53.585 54.840 0.082 0.000 0.877 258 L CB 0.451 42.606 42.059 0.159 0.000 1.504 258 L HN 0.397 nan 8.230 nan 0.000 0.503 259 G N -1.375 107.448 108.800 0.038 0.000 2.636 259 G HA2 0.472 4.432 3.960 -0.000 0.000 0.246 259 G HA3 0.472 4.432 3.960 -0.000 0.000 0.246 259 G C -0.243 174.562 174.900 -0.157 0.000 1.216 259 G CA 0.381 45.434 45.100 -0.077 0.000 0.854 259 G HN 0.786 nan 8.290 nan 0.000 0.572 260 G N -1.163 107.498 108.800 -0.230 0.000 3.166 260 G HA2 0.455 4.414 3.960 -0.000 0.000 0.267 260 G HA3 0.455 4.414 3.960 -0.000 0.000 0.267 260 G C -0.730 174.067 174.900 -0.172 0.000 1.256 260 G CA -0.421 44.610 45.100 -0.115 0.000 0.859 260 G HN 0.810 nan 8.290 nan 0.000 0.590 261 N N -1.029 117.718 118.700 0.078 0.000 2.658 261 N HA 0.332 5.072 4.740 -0.000 0.000 0.238 261 N C -0.142 175.447 175.510 0.131 0.000 1.495 261 N CA 0.109 53.229 53.050 0.117 0.000 0.883 261 N CB 0.348 38.987 38.487 0.253 0.000 1.463 261 N HN 0.744 nan 8.380 nan 0.000 0.531 262 A N 1.962 124.811 122.820 0.048 0.000 2.537 262 A HA 0.313 4.633 4.320 -0.000 0.000 0.260 262 A C -2.191 175.370 177.584 -0.038 0.000 1.082 262 A CA -0.292 51.728 52.037 -0.027 0.000 0.765 262 A CB -0.311 18.705 19.000 0.027 0.000 1.019 262 A HN 0.353 nan 8.150 nan 0.000 0.507 263 P HA 0.302 nan 4.420 nan 0.000 0.292 263 P C -0.977 176.340 177.300 0.029 0.000 1.287 263 P CA -0.159 62.938 63.100 -0.005 0.000 0.800 263 P CB 0.698 32.353 31.700 -0.074 0.000 0.945 264 F N 4.571 124.473 119.950 -0.080 0.000 2.308 264 F HA 0.443 4.970 4.527 -0.000 0.000 0.370 264 F C -0.186 175.675 175.800 0.102 0.000 1.100 264 F CA -0.913 57.060 58.000 -0.045 0.000 1.108 264 F CB 0.308 39.043 39.000 -0.441 0.000 1.293 264 F HN 0.125 nan 8.300 nan 0.000 0.478 265 I N 6.700 127.313 120.570 0.072 0.000 2.325 265 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 265 I C -0.709 175.532 176.117 0.206 0.000 1.019 265 I CA -0.726 60.646 61.300 0.120 0.000 1.302 265 I CB 1.257 39.224 38.000 -0.054 0.000 1.401 265 I HN 0.182 nan 8.210 nan 0.000 0.485 266 V N 7.464 127.527 119.914 0.249 0.000 2.294 266 V HA 0.282 4.402 4.120 -0.000 0.000 0.272 266 V C -0.038 176.216 176.094 0.268 0.000 1.027 266 V CA -0.487 61.936 62.300 0.206 0.000 0.823 266 V CB 0.317 32.057 31.823 -0.139 0.000 1.030 266 V HN 0.383 nan 8.190 nan 0.000 0.457 267 F N 2.680 122.801 119.950 0.285 0.000 2.418 267 F HA 0.202 4.728 4.527 -0.000 0.000 0.341 267 F C 1.695 177.556 175.800 0.101 0.000 1.120 267 F CA 0.329 58.496 58.000 0.280 0.000 1.232 267 F CB 0.724 39.849 39.000 0.209 0.000 1.175 267 F HN 0.599 nan 8.300 nan 0.000 0.569 268 D N 1.407 121.887 120.400 0.133 0.000 5.591 268 D HA -0.338 4.302 4.640 -0.000 0.000 0.357 268 D C 1.259 177.583 176.300 0.039 0.000 1.674 268 D CA 2.506 56.431 54.000 -0.126 0.000 1.017 268 D CB -0.233 40.449 40.800 -0.196 0.000 0.725 268 D HN 0.683 nan 8.370 nan 0.000 0.843 269 D N -0.944 119.526 120.400 0.117 0.000 2.402 269 D HA 0.339 4.979 4.640 -0.000 0.000 0.216 269 D C 0.321 176.699 176.300 0.129 0.000 1.128 269 D CA 0.190 54.245 54.000 0.092 0.000 0.833 269 D CB -0.507 40.325 40.800 0.054 0.000 0.971 269 D HN 0.338 nan 8.370 nan 0.000 0.503 270 A N 0.572 123.505 122.820 0.189 0.000 2.429 270 A HA 0.181 4.501 4.320 -0.000 0.000 0.242 270 A C 0.267 177.972 177.584 0.201 0.000 1.088 270 A CA -0.161 52.018 52.037 0.237 0.000 0.784 270 A CB 0.167 19.355 19.000 0.313 0.000 1.038 270 A HN 0.138 nan 8.150 nan 0.000 0.501 271 D N 1.583 122.122 120.400 0.232 0.000 2.393 271 D HA 0.188 4.827 4.640 -0.000 0.000 0.232 271 D C 1.097 177.522 176.300 0.208 0.000 1.192 271 D CA -0.437 53.679 54.000 0.193 0.000 0.882 271 D CB 0.288 41.199 40.800 0.185 0.000 1.038 271 D HN 0.251 nan 8.370 nan 0.000 0.499 272 L N 3.415 124.741 121.223 0.172 0.000 2.042 272 L HA -0.159 4.181 4.340 -0.000 0.000 0.210 272 L C 1.468 178.413 176.870 0.125 0.000 1.076 272 L CA 1.433 56.384 54.840 0.185 0.000 0.749 272 L CB -1.162 40.998 42.059 0.167 0.000 0.893 272 L HN 0.386 nan 8.230 nan 0.000 0.432 273 D N 0.553 121.005 120.400 0.088 0.000 2.104 273 D HA -0.164 4.475 4.640 -0.000 0.000 0.194 273 D C 2.273 178.615 176.300 0.070 0.000 0.994 273 D CA 1.633 55.663 54.000 0.050 0.000 0.830 273 D CB -0.131 40.698 40.800 0.048 0.000 0.959 273 D HN 0.310 nan 8.370 nan 0.000 0.452 274 A N 0.691 123.590 122.820 0.132 0.000 1.930 274 A HA 0.074 4.394 4.320 -0.000 0.000 0.217 274 A C 2.258 179.943 177.584 0.168 0.000 1.175 274 A CA 1.866 54.025 52.037 0.204 0.000 0.627 274 A CB -0.828 18.350 19.000 0.298 0.000 0.815 274 A HN 0.232 nan 8.150 nan 0.000 0.443 275 A N -0.634 122.201 122.820 0.025 0.000 1.972 275 A HA 0.025 4.345 4.320 -0.000 0.000 0.219 275 A C 2.209 179.781 177.584 -0.020 0.000 1.169 275 A CA 1.762 53.573 52.037 -0.378 0.000 0.635 275 A CB -0.713 18.246 19.000 -0.069 0.000 0.810 275 A HN 0.342 nan 8.150 nan 0.000 0.446 276 V N -0.174 119.750 119.914 0.016 0.000 2.323 276 V HA -0.140 3.980 4.120 -0.000 0.000 0.244 276 V C 3.118 179.171 176.094 -0.068 0.000 1.041 276 V CA 2.413 64.643 62.300 -0.117 0.000 1.025 276 V CB -1.122 30.556 31.823 -0.242 0.000 0.656 276 V HN 0.762 nan 8.190 nan 0.000 0.451 277 E N 0.428 120.625 120.200 -0.004 0.000 2.118 277 E HA -0.221 4.129 4.350 -0.000 0.000 0.195 277 E C 2.272 178.927 176.600 0.093 0.000 0.992 277 E CA 1.698 58.120 56.400 0.037 0.000 0.804 277 E CB -1.378 28.361 29.700 0.064 0.000 0.741 277 E HN 0.673 nan 8.360 nan 0.000 0.458 278 G N 0.184 109.081 108.800 0.163 0.000 2.408 278 G HA2 0.057 4.017 3.960 -0.000 0.000 0.217 278 G HA3 0.057 4.017 3.960 -0.000 0.000 0.217 278 G C 2.017 177.067 174.900 0.250 0.000 1.150 278 G CA 1.722 47.006 45.100 0.307 0.000 0.776 278 G HN 0.906 nan 8.290 nan 0.000 0.542 279 A N 0.835 123.663 122.820 0.013 0.000 1.930 279 A HA 0.097 4.416 4.320 -0.000 0.000 0.217 279 A C 2.327 179.919 177.584 0.014 0.000 1.175 279 A CA 1.052 52.916 52.037 -0.289 0.000 0.627 279 A CB -0.238 18.563 19.000 -0.332 0.000 0.815 279 A HN 0.264 nan 8.150 nan 0.000 0.443 280 I N 0.118 120.712 120.570 0.039 0.000 2.163 280 I HA -0.273 3.897 4.170 -0.000 0.000 0.243 280 I C 2.924 179.128 176.117 0.144 0.000 1.085 280 I CA 1.650 63.019 61.300 0.116 0.000 1.347 280 I CB -1.555 36.449 38.000 0.007 0.000 1.044 280 I HN 0.374 nan 8.210 nan 0.000 0.408 281 A N 0.816 123.688 122.820 0.086 0.000 1.873 281 A HA -0.184 4.136 4.320 -0.000 0.000 0.215 281 A C 2.554 180.153 177.584 0.024 0.000 1.186 281 A CA 2.304 54.382 52.037 0.069 0.000 0.616 281 A CB -0.912 18.132 19.000 0.073 0.000 0.823 281 A HN 0.544 nan 8.150 nan 0.000 0.442 282 S N -0.204 115.472 115.700 -0.040 0.000 2.368 282 S HA -0.187 4.283 4.470 -0.000 0.000 0.225 282 S C 1.904 176.408 174.600 -0.160 0.000 1.030 282 S CA 1.813 59.892 58.200 -0.201 0.000 0.999 282 S CB -0.228 62.673 63.200 -0.498 0.000 0.844 282 S HN 0.452 nan 8.310 nan 0.000 0.459 283 K N 0.282 120.605 120.400 -0.128 0.000 2.128 283 K HA 0.203 4.522 4.320 -0.000 0.000 0.202 283 K C 0.839 177.238 176.600 -0.334 0.000 1.050 283 K CA 0.855 56.986 56.287 -0.261 0.000 0.966 283 K CB -0.339 32.000 32.500 -0.268 0.000 0.759 283 K HN 0.523 nan 8.250 nan 0.000 0.454 284 Y N 0.796 121.092 120.300 -0.007 0.000 2.607 284 Y HA 0.259 4.809 4.550 -0.000 0.000 0.266 284 Y C -0.283 175.619 175.900 0.003 0.000 1.178 284 Y CA -0.661 57.439 58.100 0.000 0.000 1.226 284 Y CB 0.235 38.693 38.460 -0.003 0.000 1.144 284 Y HN -0.050 nan 8.280 nan 0.000 0.528 285 R N -0.459 120.096 120.500 0.092 0.000 2.404 285 R HA 0.330 4.670 4.340 -0.000 0.000 0.291 285 R C 0.429 176.753 176.300 0.039 0.000 1.025 285 R CA -0.454 55.690 56.100 0.072 0.000 0.991 285 R CB 0.415 30.760 30.300 0.075 0.000 1.053 285 R HN 0.056 nan 8.270 nan 0.000 0.479 286 N N 1.313 120.026 118.700 0.020 0.000 2.708 286 N HA -0.296 4.444 4.740 -0.000 0.000 0.251 286 N C -0.653 174.866 175.510 0.014 0.000 1.123 286 N CA 1.445 54.481 53.050 -0.022 0.000 0.739 286 N CB -1.047 37.386 38.487 -0.090 0.000 1.113 286 N HN 0.984 nan 8.380 nan 0.000 0.561 287 N N -1.564 117.163 118.700 0.044 0.000 2.741 287 N HA -0.184 4.555 4.740 -0.000 0.000 0.251 287 N C 0.761 176.271 175.510 0.000 0.000 1.112 287 N CA 2.402 55.491 53.050 0.066 0.000 0.750 287 N CB -1.444 37.086 38.487 0.071 0.000 1.119 287 N HN 1.344 nan 8.380 nan 0.000 0.561 288 G N -1.359 107.399 108.800 -0.070 0.000 2.157 288 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.248 288 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.248 288 G C 0.335 175.098 174.900 -0.227 0.000 0.979 288 G CA 0.500 45.494 45.100 -0.177 0.000 0.650 288 G HN 0.572 nan 8.290 nan 0.000 0.529 289 Q N 0.851 120.580 119.800 -0.118 0.000 2.247 289 Q HA 0.170 4.510 4.340 -0.000 0.000 0.205 289 Q C 0.953 176.785 176.000 -0.281 0.000 0.896 289 Q CA 0.856 56.613 55.803 -0.076 0.000 0.950 289 Q CB 0.379 29.291 28.738 0.291 0.000 1.054 289 Q HN 0.728 nan 8.270 nan 0.000 0.482 290 T N -3.846 110.516 114.554 -0.321 0.000 2.902 290 T HA 0.164 4.513 4.350 -0.000 0.000 0.283 290 T C 1.404 175.919 174.700 -0.309 0.000 1.009 290 T CA -0.864 61.141 62.100 -0.158 0.000 1.051 290 T CB 1.525 70.473 68.868 0.134 0.000 0.999 290 T HN 0.229 nan 8.240 nan 0.000 0.474 291 C N 2.025 121.267 119.300 -0.096 0.000 2.392 291 C HA -0.101 4.359 4.460 -0.000 0.000 0.276 291 C C 2.620 177.579 174.990 -0.050 0.000 1.212 291 C CA 0.910 59.916 59.018 -0.020 0.000 1.791 291 C CB -1.882 25.926 27.740 0.114 0.000 2.063 291 C HN 0.907 nan 8.230 nan 0.000 0.481 292 V N -2.896 117.020 119.914 0.004 0.000 3.621 292 V HA 0.290 4.410 4.120 -0.000 0.000 0.285 292 V C 0.868 177.016 176.094 0.089 0.000 1.346 292 V CA -0.493 61.835 62.300 0.047 0.000 1.104 292 V CB -1.621 30.272 31.823 0.117 0.000 0.913 292 V HN 0.557 nan 8.190 nan 0.000 0.432 293 C N 2.480 121.749 119.300 -0.051 0.000 2.611 293 C HA 0.245 4.704 4.460 -0.000 0.000 0.416 293 C C 1.475 176.404 174.990 -0.102 0.000 1.366 293 C CA 0.584 59.538 59.018 -0.107 0.000 1.761 293 C CB -0.453 27.148 27.740 -0.231 0.000 2.619 293 C HN 0.644 nan 8.230 nan 0.000 0.606 294 T N 4.010 118.485 114.554 -0.131 0.000 2.933 294 T HA -0.051 4.299 4.350 -0.000 0.000 0.306 294 T C 0.995 175.573 174.700 -0.203 0.000 1.045 294 T CA 0.775 62.758 62.100 -0.194 0.000 1.143 294 T CB 0.205 68.766 68.868 -0.512 0.000 1.003 294 T HN 0.836 nan 8.240 nan 0.000 0.540 295 N N 1.837 120.457 118.700 -0.133 0.000 2.564 295 N HA 0.121 4.861 4.740 -0.000 0.000 0.202 295 N C -0.143 175.370 175.510 0.005 0.000 1.052 295 N CA 0.260 53.278 53.050 -0.053 0.000 0.872 295 N CB 0.640 39.128 38.487 0.003 0.000 1.303 295 N HN 0.430 nan 8.380 nan 0.000 0.440 296 R N -0.011 120.458 120.500 -0.052 0.000 2.439 296 R HA 0.315 4.655 4.340 -0.000 0.000 0.310 296 R C -1.303 174.926 176.300 -0.119 0.000 0.955 296 R CA -0.634 55.421 56.100 -0.074 0.000 0.853 296 R CB 1.285 31.363 30.300 -0.369 0.000 1.171 296 R HN -0.017 nan 8.270 nan 0.000 0.449 297 F N 2.186 122.176 119.950 0.068 0.000 2.384 297 F HA 0.346 4.873 4.527 -0.000 0.000 0.338 297 F C 0.080 175.849 175.800 -0.052 0.000 1.103 297 F CA -0.079 57.978 58.000 0.096 0.000 1.157 297 F CB 0.752 39.797 39.000 0.076 0.000 1.167 297 F HN 0.357 nan 8.300 nan 0.000 0.529 298 F N 2.819 122.951 119.950 0.304 0.000 2.532 298 F HA 0.459 4.986 4.527 -0.000 0.000 0.365 298 F C -0.700 175.294 175.800 0.324 0.000 1.112 298 F CA -0.849 57.294 58.000 0.238 0.000 1.082 298 F CB 1.088 40.046 39.000 -0.069 0.000 1.319 298 F HN -0.005 nan 8.300 nan 0.000 0.457 299 V N 2.710 122.883 119.914 0.432 0.000 2.547 299 V HA 0.289 4.408 4.120 -0.000 0.000 0.299 299 V C 0.439 176.616 176.094 0.139 0.000 1.040 299 V CA -0.908 61.494 62.300 0.170 0.000 0.913 299 V CB 1.433 33.110 31.823 -0.243 0.000 0.992 299 V HN 0.582 nan 8.190 nan 0.000 0.449 300 H N 2.391 121.309 119.070 -0.253 0.000 2.745 300 H HA 0.146 4.702 4.556 -0.000 0.000 0.373 300 H C 1.052 176.252 175.328 -0.213 0.000 1.226 300 H CA 0.309 55.962 56.048 -0.659 0.000 1.435 300 H CB 1.182 30.640 29.762 -0.506 0.000 1.461 300 H HN 0.800 nan 8.280 nan 0.000 0.616 301 E N 2.166 121.963 120.200 -0.672 0.000 2.051 301 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 301 E C 1.969 178.596 176.600 0.045 0.000 0.991 301 E CA 0.815 57.065 56.400 -0.251 0.000 0.799 301 E CB 0.097 29.592 29.700 -0.342 0.000 0.748 301 E HN 0.573 nan 8.360 nan 0.000 0.449 302 R N 0.737 121.392 120.500 0.258 0.000 2.316 302 R HA -0.048 4.291 4.340 -0.000 0.000 0.202 302 R C 1.985 178.384 176.300 0.165 0.000 1.029 302 R CA 1.029 57.252 56.100 0.205 0.000 1.018 302 R CB 0.087 30.505 30.300 0.198 0.000 0.888 302 R HN 0.192 nan 8.270 nan 0.000 0.471 303 V N -4.992 115.035 119.914 0.187 0.000 3.398 303 V HA 0.096 4.215 4.120 -0.000 0.000 0.298 303 V C 1.549 177.759 176.094 0.193 0.000 1.496 303 V CA -0.460 61.938 62.300 0.163 0.000 1.044 303 V CB -0.654 31.253 31.823 0.140 0.000 0.880 303 V HN 0.035 nan 8.190 nan 0.000 0.443 304 Y N 2.485 122.830 120.300 0.076 0.000 2.102 304 Y HA -0.267 4.283 4.550 -0.000 0.000 0.280 304 Y C 2.231 178.205 175.900 0.123 0.000 1.178 304 Y CA 2.697 60.849 58.100 0.087 0.000 1.146 304 Y CB 0.076 38.554 38.460 0.030 0.000 0.968 304 Y HN 0.331 nan 8.280 nan 0.000 0.504 305 D N -0.489 120.088 120.400 0.295 0.000 2.120 305 D HA -0.101 4.539 4.640 -0.000 0.000 0.202 305 D C 2.311 178.671 176.300 0.100 0.000 0.972 305 D CA 1.256 55.375 54.000 0.197 0.000 0.837 305 D CB -0.675 40.216 40.800 0.152 0.000 0.989 305 D HN 0.449 nan 8.370 nan 0.000 0.469 306 A N 0.888 123.771 122.820 0.104 0.000 1.908 306 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 306 A C 2.119 179.734 177.584 0.053 0.000 1.181 306 A CA 1.219 53.298 52.037 0.070 0.000 0.627 306 A CB -1.075 17.977 19.000 0.086 0.000 0.818 306 A HN 0.245 nan 8.150 nan 0.000 0.445 307 F N 0.909 120.823 119.950 -0.059 0.000 2.075 307 F HA -0.074 4.453 4.527 -0.000 0.000 0.297 307 F C 2.551 178.243 175.800 -0.180 0.000 1.113 307 F CA 1.439 59.369 58.000 -0.116 0.000 1.218 307 F CB -0.538 38.381 39.000 -0.136 0.000 0.984 307 F HN 0.246 nan 8.300 nan 0.000 0.472 308 A N 0.032 122.762 122.820 -0.149 0.000 1.902 308 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 308 A C 1.958 179.387 177.584 -0.259 0.000 1.181 308 A CA 2.041 53.923 52.037 -0.258 0.000 0.623 308 A CB -1.027 17.893 19.000 -0.134 0.000 0.818 308 A HN 0.488 nan 8.150 nan 0.000 0.443 309 D N -0.338 119.965 120.400 -0.162 0.000 2.117 309 D HA -0.092 4.548 4.640 -0.000 0.000 0.198 309 D C 1.921 178.109 176.300 -0.186 0.000 0.982 309 D CA 1.322 55.242 54.000 -0.134 0.000 0.828 309 D CB -0.247 40.512 40.800 -0.069 0.000 0.967 309 D HN 0.490 nan 8.370 nan 0.000 0.464 310 K N 0.039 120.299 120.400 -0.234 0.000 2.103 310 K HA -0.061 4.258 4.320 -0.000 0.000 0.204 310 K C 2.005 178.393 176.600 -0.353 0.000 1.052 310 K CA 0.218 56.355 56.287 -0.250 0.000 0.945 310 K CB -0.091 32.279 32.500 -0.216 0.000 0.722 310 K HN 0.001 nan 8.250 nan 0.000 0.443 311 L N 1.082 121.969 121.223 -0.560 0.000 2.083 311 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 311 L C 2.115 178.753 176.870 -0.387 0.000 1.083 311 L CA 1.713 56.194 54.840 -0.599 0.000 0.752 311 L CB -0.620 40.882 42.059 -0.928 0.000 0.899 311 L HN 0.105 nan 8.230 nan 0.000 0.433 312 A N -0.509 122.125 122.820 -0.309 0.000 1.902 312 A HA -0.067 4.252 4.320 -0.000 0.000 0.217 312 A C 2.464 179.936 177.584 -0.187 0.000 1.181 312 A CA 1.702 53.610 52.037 -0.215 0.000 0.623 312 A CB -1.131 17.774 19.000 -0.158 0.000 0.818 312 A HN 0.567 nan 8.150 nan 0.000 0.443 313 A N -0.009 122.704 122.820 -0.179 0.000 1.883 313 A HA 0.111 4.430 4.320 -0.000 0.000 0.217 313 A C 2.526 180.018 177.584 -0.154 0.000 1.186 313 A CA 2.310 54.261 52.037 -0.143 0.000 0.624 313 A CB -1.092 17.833 19.000 -0.125 0.000 0.822 313 A HN 1.083 nan 8.150 nan 0.000 0.444 314 A N -0.810 121.897 122.820 -0.189 0.000 1.930 314 A HA 0.032 4.352 4.320 -0.000 0.000 0.217 314 A C 2.172 179.624 177.584 -0.219 0.000 1.175 314 A CA 1.645 53.571 52.037 -0.185 0.000 0.627 314 A CB -0.877 18.004 19.000 -0.199 0.000 0.815 314 A HN 0.411 nan 8.150 nan 0.000 0.443 315 V N 1.129 120.876 119.914 -0.279 0.000 2.594 315 V HA -0.220 3.900 4.120 -0.000 0.000 0.253 315 V C 2.908 178.854 176.094 -0.248 0.000 1.069 315 V CA 2.211 64.296 62.300 -0.360 0.000 1.082 315 V CB -0.692 30.890 31.823 -0.401 0.000 0.680 315 V HN 0.832 nan 8.190 nan 0.000 0.469 316 S N 0.542 116.137 115.700 -0.175 0.000 2.414 316 S HA -0.102 4.368 4.470 -0.000 0.000 0.227 316 S C 2.103 176.643 174.600 -0.100 0.000 1.022 316 S CA 1.162 59.290 58.200 -0.120 0.000 0.958 316 S CB -0.376 62.766 63.200 -0.096 0.000 0.797 316 S HN 0.590 nan 8.310 nan 0.000 0.493 317 K N 1.400 121.737 120.400 -0.105 0.000 2.362 317 K HA 0.362 4.682 4.320 -0.000 0.000 0.200 317 K C 0.896 177.450 176.600 -0.076 0.000 1.046 317 K CA 0.797 57.036 56.287 -0.080 0.000 0.952 317 K CB -1.135 31.320 32.500 -0.075 0.000 0.753 317 K HN 0.647 nan 8.250 nan 0.000 0.466 318 L N 1.393 122.556 121.223 -0.101 0.000 2.410 318 L HA 0.204 4.544 4.340 -0.000 0.000 0.273 318 L C 0.395 177.229 176.870 -0.060 0.000 1.144 318 L CA -0.339 54.449 54.840 -0.087 0.000 0.863 318 L CB 1.106 43.085 42.059 -0.133 0.000 1.140 318 L HN 0.220 nan 8.230 nan 0.000 0.463 319 K N 2.978 123.354 120.400 -0.040 0.000 2.263 319 K HA 0.397 4.717 4.320 -0.000 0.000 0.272 319 K C -1.034 175.540 176.600 -0.042 0.000 1.033 319 K CA -0.598 55.666 56.287 -0.039 0.000 0.884 319 K CB 1.205 33.688 32.500 -0.030 0.000 1.107 319 K HN 0.349 nan 8.250 nan 0.000 0.460 320 V N 3.801 123.659 119.914 -0.093 0.000 2.389 320 V HA 0.556 4.676 4.120 -0.000 0.000 0.264 320 V C 0.611 176.566 176.094 -0.232 0.000 1.049 320 V CA -0.325 61.886 62.300 -0.149 0.000 0.932 320 V CB 0.640 32.253 31.823 -0.350 0.000 1.011 320 V HN 0.952 nan 8.190 nan 0.000 0.475 321 G N 3.012 111.768 108.800 -0.073 0.000 2.608 321 G HA2 0.666 4.626 3.960 -0.000 0.000 0.291 321 G HA3 0.666 4.626 3.960 -0.000 0.000 0.291 321 G C -0.482 174.509 174.900 0.152 0.000 1.425 321 G CA -0.502 44.518 45.100 -0.133 0.000 0.787 321 G HN 0.856 nan 8.290 nan 0.000 0.484 322 R N -0.728 119.843 120.500 0.118 0.000 2.640 322 R HA 0.479 4.819 4.340 -0.000 0.000 0.270 322 R C 1.607 177.990 176.300 0.138 0.000 1.024 322 R CA 0.831 57.079 56.100 0.247 0.000 1.085 322 R CB -0.258 30.129 30.300 0.144 0.000 0.963 322 R HN 1.978 nan 8.270 nan 0.000 0.426 323 G N -0.036 108.837 108.800 0.122 0.000 2.625 323 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.214 323 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.214 323 G C 1.333 176.260 174.900 0.045 0.000 1.132 323 G CA 1.401 46.543 45.100 0.071 0.000 0.782 323 G HN 0.952 nan 8.290 nan 0.000 0.538 324 T N -2.259 112.320 114.554 0.042 0.000 3.107 324 T HA 0.202 4.552 4.350 -0.000 0.000 0.249 324 T C 0.696 175.408 174.700 0.020 0.000 1.096 324 T CA -0.096 62.019 62.100 0.026 0.000 1.012 324 T CB 0.331 69.211 68.868 0.020 0.000 0.977 324 T HN 0.356 nan 8.240 nan 0.000 0.527 325 E N 1.842 122.056 120.200 0.024 0.000 2.174 325 E HA 0.330 4.680 4.350 -0.000 0.000 0.282 325 E C -0.847 175.759 176.600 0.009 0.000 0.992 325 E CA -0.439 55.968 56.400 0.012 0.000 0.803 325 E CB 0.961 30.663 29.700 0.005 0.000 1.090 325 E HN 0.119 nan 8.360 nan 0.000 0.396 326 S N 2.519 118.222 115.700 0.004 0.000 2.544 326 S HA 0.271 4.740 4.470 -0.000 0.000 0.290 326 S C 0.968 175.568 174.600 0.000 0.000 1.276 326 S CA 0.848 59.050 58.200 0.003 0.000 1.075 326 S CB 0.684 63.884 63.200 0.001 0.000 0.849 326 S HN 0.870 nan 8.310 nan 0.000 0.494 327 G N 2.177 110.979 108.800 0.002 0.000 2.199 327 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.254 327 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.254 327 G C 0.215 175.115 174.900 -0.000 0.000 0.982 327 G CA -0.123 44.977 45.100 -0.001 0.000 0.632 327 G HN 1.248 nan 8.290 nan 0.000 0.529 328 A N 1.079 123.903 122.820 0.006 0.000 2.438 328 A HA 0.603 4.923 4.320 -0.000 0.000 0.280 328 A C 1.481 179.080 177.584 0.025 0.000 1.160 328 A CA 1.515 53.560 52.037 0.014 0.000 0.821 328 A CB 0.026 19.043 19.000 0.028 0.000 1.101 328 A HN 1.274 nan 8.150 nan 0.000 0.515 329 T N 0.786 115.351 114.554 0.019 0.000 3.044 329 T HA 0.342 4.691 4.350 -0.000 0.000 0.250 329 T C 0.316 175.043 174.700 0.046 0.000 1.081 329 T CA 0.224 62.339 62.100 0.025 0.000 1.040 329 T CB -0.328 68.545 68.868 0.008 0.000 0.962 329 T HN 0.381 nan 8.240 nan 0.000 0.506 330 L N 1.397 122.655 121.223 0.059 0.000 2.341 330 L HA 0.764 5.104 4.340 -0.000 0.000 0.278 330 L C 0.690 177.645 176.870 0.141 0.000 1.005 330 L CA -1.209 53.688 54.840 0.096 0.000 0.818 330 L CB 1.949 44.071 42.059 0.105 0.000 1.259 330 L HN 0.219 nan 8.230 nan 0.000 0.418 331 G N 2.142 111.010 108.800 0.114 0.000 2.671 331 G HA2 0.693 4.653 3.960 -0.000 0.000 0.275 331 G HA3 0.693 4.653 3.960 -0.000 0.000 0.275 331 G C -2.772 172.063 174.900 -0.107 0.000 1.368 331 G CA -1.126 44.033 45.100 0.098 0.000 1.044 331 G HN 0.341 nan 8.290 nan 0.000 0.543 332 P HA 0.319 nan 4.420 nan 0.000 0.278 332 P C -0.304 176.816 177.300 -0.301 0.000 1.266 332 P CA -0.603 61.995 63.100 -0.837 0.000 0.807 332 P CB 1.166 32.140 31.700 -1.210 0.000 1.094 333 L N 1.352 122.459 121.223 -0.192 0.000 2.476 333 L HA 0.082 4.422 4.340 -0.000 0.000 0.255 333 L C 2.189 178.964 176.870 -0.157 0.000 1.218 333 L CA -0.001 54.783 54.840 -0.093 0.000 0.819 333 L CB -0.887 41.148 42.059 -0.040 0.000 1.119 333 L HN 0.378 nan 8.230 nan 0.000 0.485 334 I N 0.737 121.180 120.570 -0.212 0.000 2.439 334 I HA -0.152 4.018 4.170 -0.000 0.000 0.251 334 I C 0.605 176.544 176.117 -0.298 0.000 1.139 334 I CA 0.937 62.012 61.300 -0.375 0.000 1.438 334 I CB -0.164 37.248 38.000 -0.979 0.000 1.085 334 I HN 0.961 nan 8.210 nan 0.000 0.427 335 N N -2.868 115.694 118.700 -0.229 0.000 3.373 335 N HA 0.059 4.798 4.740 -0.000 0.000 0.275 335 N C 0.288 175.741 175.510 -0.095 0.000 1.489 335 N CA -0.550 52.407 53.050 -0.155 0.000 0.872 335 N CB 0.128 38.502 38.487 -0.189 0.000 1.555 335 N HN -0.278 nan 8.380 nan 0.000 0.500 336 E N -0.011 120.148 120.200 -0.069 0.000 2.077 336 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 336 E C 1.656 178.237 176.600 -0.033 0.000 0.989 336 E CA 1.862 58.242 56.400 -0.034 0.000 0.800 336 E CB -0.576 29.104 29.700 -0.034 0.000 0.746 336 E HN 0.667 nan 8.360 nan 0.000 0.452 337 A N 1.102 123.891 122.820 -0.052 0.000 2.019 337 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 337 A C 2.327 179.888 177.584 -0.038 0.000 1.164 337 A CA 1.792 53.805 52.037 -0.040 0.000 0.644 337 A CB -0.349 18.621 19.000 -0.049 0.000 0.805 337 A HN 0.260 nan 8.150 nan 0.000 0.449 338 A N -0.497 122.290 122.820 -0.056 0.000 1.872 338 A HA 0.075 4.395 4.320 -0.000 0.000 0.214 338 A C 2.196 179.746 177.584 -0.056 0.000 1.187 338 A CA 1.571 53.583 52.037 -0.042 0.000 0.614 338 A CB -0.861 18.110 19.000 -0.049 0.000 0.826 338 A HN 0.369 nan 8.150 nan 0.000 0.442 339 V N 0.566 120.457 119.914 -0.038 0.000 2.261 339 V HA -0.235 3.884 4.120 -0.000 0.000 0.246 339 V C 3.161 179.239 176.094 -0.027 0.000 1.047 339 V CA 2.740 65.027 62.300 -0.021 0.000 1.015 339 V CB -1.405 30.475 31.823 0.096 0.000 0.642 339 V HN 0.706 nan 8.190 nan 0.000 0.446 340 K N 0.369 120.774 120.400 0.009 0.000 2.103 340 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 340 K C 2.179 178.792 176.600 0.021 0.000 1.048 340 K CA 2.164 58.467 56.287 0.027 0.000 0.930 340 K CB -0.702 31.813 32.500 0.026 0.000 0.716 340 K HN 0.561 nan 8.250 nan 0.000 0.444 341 K N 0.043 120.446 120.400 0.004 0.000 2.097 341 K HA -0.054 4.265 4.320 -0.000 0.000 0.205 341 K C 2.072 178.676 176.600 0.006 0.000 1.050 341 K CA 1.175 57.487 56.287 0.042 0.000 0.938 341 K CB -0.217 32.292 32.500 0.016 0.000 0.718 341 K HN 0.195 nan 8.250 nan 0.000 0.442 342 V N 1.358 121.182 119.914 -0.149 0.000 2.358 342 V HA -0.202 3.917 4.120 -0.000 0.000 0.246 342 V C 1.908 177.885 176.094 -0.195 0.000 1.047 342 V CA 1.763 63.878 62.300 -0.308 0.000 1.035 342 V CB -0.373 31.017 31.823 -0.722 0.000 0.658 342 V HN 0.359 nan 8.190 nan 0.000 0.452 343 E N -0.147 119.992 120.200 -0.102 0.000 2.077 343 E HA -0.195 4.155 4.350 -0.000 0.000 0.193 343 E C 2.438 179.096 176.600 0.097 0.000 0.989 343 E CA 1.500 57.951 56.400 0.085 0.000 0.800 343 E CB -0.207 29.583 29.700 0.150 0.000 0.746 343 E HN 0.483 nan 8.360 nan 0.000 0.452 344 S N -0.540 115.216 115.700 0.093 0.000 2.387 344 S HA -0.137 4.332 4.470 -0.000 0.000 0.226 344 S C 1.813 176.466 174.600 0.089 0.000 1.026 344 S CA 0.738 58.990 58.200 0.088 0.000 0.972 344 S CB -0.154 63.095 63.200 0.082 0.000 0.814 344 S HN 0.364 nan 8.310 nan 0.000 0.477 345 H N 0.364 119.441 119.070 0.012 0.000 2.353 345 H HA -0.028 4.528 4.556 -0.000 0.000 0.300 345 H C 2.153 177.497 175.328 0.028 0.000 1.090 345 H CA 1.748 57.810 56.048 0.023 0.000 1.327 345 H CB -0.159 29.614 29.762 0.018 0.000 1.383 345 H HN 0.395 nan 8.280 nan 0.000 0.508 346 I N 0.588 121.250 120.570 0.153 0.000 2.142 346 I HA -0.256 3.914 4.170 -0.000 0.000 0.240 346 I C 2.903 179.069 176.117 0.082 0.000 1.078 346 I CA 1.018 62.388 61.300 0.116 0.000 1.343 346 I CB -0.304 37.786 38.000 0.151 0.000 1.046 346 I HN 0.178 nan 8.210 nan 0.000 0.405 347 A N 0.174 123.041 122.820 0.078 0.000 1.940 347 A HA -0.320 4.000 4.320 -0.000 0.000 0.219 347 A C 1.967 179.568 177.584 0.028 0.000 1.176 347 A CA 2.409 54.478 52.037 0.053 0.000 0.631 347 A CB -0.813 18.220 19.000 0.054 0.000 0.814 347 A HN 0.493 nan 8.150 nan 0.000 0.446 348 D N -0.509 119.899 120.400 0.015 0.000 2.144 348 D HA -0.009 4.630 4.640 -0.000 0.000 0.199 348 D C 1.975 178.270 176.300 -0.008 0.000 0.984 348 D CA 1.472 55.465 54.000 -0.012 0.000 0.834 348 D CB -0.132 40.634 40.800 -0.058 0.000 0.955 348 D HN 0.361 nan 8.370 nan 0.000 0.465 349 A N -0.057 122.764 122.820 0.003 0.000 1.872 349 A HA -0.035 4.285 4.320 -0.000 0.000 0.214 349 A C 1.957 179.537 177.584 -0.007 0.000 1.187 349 A CA 0.764 52.797 52.037 -0.007 0.000 0.614 349 A CB -0.530 18.470 19.000 0.001 0.000 0.826 349 A HN 0.265 nan 8.150 nan 0.000 0.442 350 L N -0.306 120.922 121.223 0.008 0.000 2.141 350 L HA -0.057 4.283 4.340 -0.000 0.000 0.209 350 L C 2.702 179.573 176.870 0.003 0.000 1.094 350 L CA 1.721 56.566 54.840 0.007 0.000 0.763 350 L CB -1.798 40.272 42.059 0.018 0.000 0.908 350 L HN 0.419 nan 8.230 nan 0.000 0.437 351 A N -0.799 122.023 122.820 0.004 0.000 2.239 351 A HA -0.087 4.233 4.320 -0.000 0.000 0.209 351 A C 1.791 179.373 177.584 -0.002 0.000 1.171 351 A CA 0.869 52.907 52.037 0.002 0.000 0.768 351 A CB -0.379 18.623 19.000 0.004 0.000 0.790 351 A HN 0.429 nan 8.150 nan 0.000 0.478 352 K N -1.874 118.522 120.400 -0.007 0.000 2.533 352 K HA 0.332 4.652 4.320 -0.000 0.000 0.202 352 K C 0.578 177.168 176.600 -0.017 0.000 1.096 352 K CA 0.405 56.686 56.287 -0.010 0.000 1.056 352 K CB 0.836 33.330 32.500 -0.011 0.000 0.890 352 K HN 0.502 nan 8.250 nan 0.000 0.552 353 G N 1.025 109.815 108.800 -0.017 0.000 2.145 353 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.145 353 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.145 353 G C -0.007 174.876 174.900 -0.028 0.000 1.017 353 G CA -0.155 44.932 45.100 -0.021 0.000 0.682 353 G HN 0.365 nan 8.290 nan 0.000 0.504 354 A N -0.263 122.542 122.820 -0.025 0.000 2.256 354 A HA 0.936 5.256 4.320 -0.000 0.000 0.318 354 A C 0.432 178.012 177.584 -0.005 0.000 1.103 354 A CA 0.322 52.344 52.037 -0.024 0.000 0.860 354 A CB 1.183 20.163 19.000 -0.034 0.000 1.182 354 A HN 1.285 nan 8.150 nan 0.000 0.501 355 S N 0.652 116.354 115.700 0.004 0.000 2.594 355 S HA 0.470 4.940 4.470 -0.000 0.000 0.296 355 S C -0.742 173.870 174.600 0.021 0.000 1.124 355 S CA -0.718 57.489 58.200 0.012 0.000 1.011 355 S CB 1.108 64.316 63.200 0.012 0.000 1.016 355 S HN 0.518 nan 8.310 nan 0.000 0.485 356 L N 3.102 124.339 121.223 0.024 0.000 2.499 356 L HA 0.223 4.563 4.340 -0.000 0.000 0.273 356 L C 0.961 177.841 176.870 0.017 0.000 1.195 356 L CA 0.796 55.653 54.840 0.029 0.000 0.882 356 L CB 0.008 42.086 42.059 0.032 0.000 1.133 356 L HN 0.940 nan 8.230 nan 0.000 0.483 357 M N 1.348 120.955 119.600 0.013 0.000 2.669 357 M HA 0.064 4.544 4.480 -0.000 0.000 0.248 357 M C 0.255 176.546 176.300 -0.015 0.000 1.382 357 M CA 0.435 55.733 55.300 -0.004 0.000 1.158 357 M CB 0.952 33.544 32.600 -0.013 0.000 1.371 357 M HN 0.682 nan 8.290 nan 0.000 0.540 358 T N -0.747 113.804 114.554 -0.006 0.000 2.889 358 T HA 0.592 4.942 4.350 -0.000 0.000 0.315 358 T C -0.037 174.676 174.700 0.021 0.000 1.291 358 T CA 0.344 62.437 62.100 -0.010 0.000 1.028 358 T CB 1.434 70.277 68.868 -0.041 0.000 1.235 358 T HN 0.707 nan 8.240 nan 0.000 0.491 359 G N 1.966 110.773 108.800 0.012 0.000 2.514 359 G HA2 0.249 4.208 3.960 -0.000 0.000 0.265 359 G HA3 0.249 4.208 3.960 -0.000 0.000 0.265 359 G C 1.046 175.954 174.900 0.013 0.000 1.150 359 G CA 1.330 46.446 45.100 0.026 0.000 0.959 359 G HN 2.420 nan 8.290 nan 0.000 0.556 360 G N -3.055 105.780 108.800 0.059 0.000 2.491 360 G HA2 0.473 4.433 3.960 -0.000 0.000 0.203 360 G HA3 0.473 4.433 3.960 -0.000 0.000 0.203 360 G C 0.853 175.753 174.900 0.000 0.000 1.052 360 G CA 1.546 46.700 45.100 0.089 0.000 0.675 360 G HN 2.426 nan 8.290 nan 0.000 0.504 361 K N 0.418 120.628 120.400 -0.316 0.000 2.279 361 K HA 0.926 5.246 4.320 -0.000 0.000 0.238 361 K C 0.394 176.391 176.600 -1.004 0.000 1.084 361 K CA -0.060 55.959 56.287 -0.446 0.000 0.885 361 K CB 0.394 32.778 32.500 -0.194 0.000 1.319 361 K HN 0.620 nan 8.250 nan 0.000 0.494 362 R N 0.912 121.084 120.500 -0.547 0.000 2.679 362 R HA 0.203 4.543 4.340 -0.000 0.000 0.269 362 R C 0.155 176.345 176.300 -0.183 0.000 1.076 362 R CA -0.518 55.381 56.100 -0.335 0.000 1.160 362 R CB 0.350 30.635 30.300 -0.024 0.000 1.054 362 R HN 0.713 nan 8.270 nan 0.000 0.507 363 H N 0.234 119.242 119.070 -0.104 0.000 2.483 363 H HA 0.171 4.726 4.556 -0.000 0.000 0.338 363 H C 0.486 175.793 175.328 -0.036 0.000 1.152 363 H CA 0.056 56.068 56.048 -0.060 0.000 1.264 363 H CB 1.814 31.587 29.762 0.018 0.000 1.510 363 H HN 0.744 nan 8.280 nan 0.000 0.530 364 A N 4.224 126.778 122.820 -0.444 0.000 2.131 364 A HA -0.138 4.182 4.320 -0.000 0.000 0.220 364 A C 2.649 180.210 177.584 -0.038 0.000 1.158 364 A CA 1.666 53.567 52.037 -0.226 0.000 0.665 364 A CB -1.054 17.764 19.000 -0.303 0.000 0.795 364 A HN 0.624 nan 8.150 nan 0.000 0.460 365 L N -2.051 119.243 121.223 0.119 0.000 2.217 365 L HA 0.415 4.755 4.340 -0.000 0.000 0.211 365 L C 1.894 178.878 176.870 0.190 0.000 1.107 365 L CA 1.772 56.634 54.840 0.037 0.000 0.783 365 L CB -2.007 39.830 42.059 -0.370 0.000 0.919 365 L HN 1.707 nan 8.230 nan 0.000 0.442 366 G N -2.861 106.097 108.800 0.263 0.000 2.482 366 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.214 366 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.214 366 G C 0.294 175.409 174.900 0.358 0.000 1.271 366 G CA 0.495 45.719 45.100 0.207 0.000 0.944 366 G HN 1.548 nan 8.290 nan 0.000 0.568 367 H N -1.386 117.791 119.070 0.178 0.000 1.452 367 H HA -0.307 4.249 4.556 -0.000 0.000 0.090 367 H C 2.246 177.616 175.328 0.070 0.000 0.987 367 H CA 3.919 60.034 56.048 0.110 0.000 1.901 367 H CB -1.310 28.520 29.762 0.113 0.000 2.257 367 H HN 1.751 nan 8.280 nan 0.000 0.961 368 G N -0.599 108.294 108.800 0.155 0.000 3.192 368 G HA2 0.282 4.242 3.960 -0.000 0.000 0.239 368 G HA3 0.282 4.242 3.960 -0.000 0.000 0.239 368 G C -0.439 174.457 174.900 -0.006 0.000 1.084 368 G CA -0.248 44.852 45.100 -0.001 0.000 0.784 368 G HN 0.174 nan 8.290 nan 0.000 0.540 369 F N 0.842 120.892 119.950 0.167 0.000 2.543 369 F HA 0.500 5.027 4.527 -0.000 0.000 0.375 369 F C -0.095 175.848 175.800 0.238 0.000 1.075 369 F CA -0.380 57.713 58.000 0.154 0.000 1.225 369 F CB 0.517 39.577 39.000 0.100 0.000 1.099 369 F HN -0.030 nan 8.300 nan 0.000 0.561 370 F N 2.103 122.197 119.950 0.239 0.000 2.565 370 F HA 0.369 4.896 4.527 -0.000 0.000 0.313 370 F C -0.181 175.730 175.800 0.184 0.000 1.091 370 F CA -1.011 57.105 58.000 0.193 0.000 0.915 370 F CB 1.291 40.367 39.000 0.127 0.000 1.208 370 F HN 0.415 nan 8.300 nan 0.000 0.453 371 E N 6.010 126.195 120.200 -0.025 0.000 2.414 371 E HA 0.122 4.472 4.350 -0.000 0.000 0.263 371 E C -2.266 174.508 176.600 0.290 0.000 1.000 371 E CA -1.501 54.961 56.400 0.104 0.000 0.914 371 E CB 0.298 29.974 29.700 -0.040 0.000 0.948 371 E HN 0.173 nan 8.360 nan 0.000 0.444 372 P HA -0.063 nan 4.420 nan 0.000 0.262 372 P C -0.927 176.496 177.300 0.206 0.000 1.199 372 P CA 0.298 63.538 63.100 0.234 0.000 0.763 372 P CB 0.513 32.200 31.700 -0.021 0.000 0.790 373 T N 3.166 117.912 114.554 0.320 0.000 2.812 373 T HA 0.375 4.725 4.350 -0.000 0.000 0.282 373 T C -0.063 174.757 174.700 0.200 0.000 0.990 373 T CA -0.466 61.776 62.100 0.238 0.000 0.960 373 T CB 1.231 70.282 68.868 0.305 0.000 0.948 373 T HN 0.034 nan 8.240 nan 0.000 0.438 374 V N 4.604 124.580 119.914 0.103 0.000 2.513 374 V HA 0.555 4.675 4.120 -0.000 0.000 0.299 374 V C -0.347 175.772 176.094 0.041 0.000 1.035 374 V CA -0.849 61.481 62.300 0.050 0.000 0.889 374 V CB 1.713 33.513 31.823 -0.038 0.000 0.988 374 V HN 0.728 nan 8.190 nan 0.000 0.440 375 L N 4.160 125.404 121.223 0.036 0.000 2.346 375 L HA 0.651 4.991 4.340 -0.000 0.000 0.276 375 L C 0.447 177.333 176.870 0.027 0.000 1.006 375 L CA -0.310 54.547 54.840 0.030 0.000 0.817 375 L CB 2.478 44.551 42.059 0.025 0.000 1.272 375 L HN 0.859 nan 8.230 nan 0.000 0.421 376 T N -1.592 112.990 114.554 0.048 0.000 2.923 376 T HA 0.534 4.884 4.350 -0.000 0.000 0.281 376 T C 0.793 175.534 174.700 0.069 0.000 0.995 376 T CA -0.106 62.069 62.100 0.125 0.000 0.985 376 T CB 1.555 70.519 68.868 0.160 0.000 1.114 376 T HN 0.905 nan 8.240 nan 0.000 0.548 377 G N 0.284 109.140 108.800 0.093 0.000 2.369 377 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.286 377 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.286 377 G C -0.151 174.687 174.900 -0.103 0.000 0.938 377 G CA 0.131 45.203 45.100 -0.048 0.000 1.271 377 G HN 0.985 nan 8.290 nan 0.000 0.488 378 V N -0.029 119.769 119.914 -0.194 0.000 2.532 378 V HA 0.944 5.064 4.120 -0.000 0.000 0.295 378 V C 0.576 176.394 176.094 -0.460 0.000 1.041 378 V CA 0.154 62.193 62.300 -0.434 0.000 0.926 378 V CB 1.452 32.802 31.823 -0.789 0.000 0.992 378 V HN 1.014 nan 8.190 nan 0.000 0.457 379 K N 4.030 124.250 120.400 -0.300 0.000 2.400 379 K HA 0.725 5.045 4.320 -0.000 0.000 0.246 379 K C -2.579 174.124 176.600 0.172 0.000 0.995 379 K CA -1.613 54.667 56.287 -0.013 0.000 0.840 379 K CB 0.891 33.400 32.500 0.015 0.000 1.293 379 K HN 0.450 nan 8.250 nan 0.000 0.445 380 P HA -0.153 nan 4.420 nan 0.000 0.222 380 P C 0.569 177.996 177.300 0.211 0.000 1.147 380 P CA 1.338 64.645 63.100 0.345 0.000 0.790 380 P CB 0.261 32.115 31.700 0.256 0.000 0.780 381 D N -1.288 119.193 120.400 0.136 0.000 2.224 381 D HA -0.096 4.544 4.640 -0.000 0.000 0.205 381 D C 0.803 177.147 176.300 0.073 0.000 0.965 381 D CA 0.595 54.648 54.000 0.088 0.000 0.852 381 D CB -0.458 40.376 40.800 0.057 0.000 0.947 381 D HN 0.191 nan 8.370 nan 0.000 0.494 382 M N 0.972 120.617 119.600 0.075 0.000 2.167 382 M HA 0.032 4.512 4.480 -0.000 0.000 0.300 382 M C 0.845 177.176 176.300 0.052 0.000 1.171 382 M CA -0.376 54.948 55.300 0.040 0.000 1.171 382 M CB 0.468 33.073 32.600 0.009 0.000 1.396 382 M HN -0.321 nan 8.290 nan 0.000 0.466 383 D N 0.645 121.026 120.400 -0.033 0.000 2.097 383 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 383 D C 1.827 178.138 176.300 0.019 0.000 0.989 383 D CA 1.062 54.997 54.000 -0.108 0.000 0.827 383 D CB -0.215 40.341 40.800 -0.407 0.000 0.966 383 D HN 0.400 nan 8.370 nan 0.000 0.456 384 V N 0.635 120.623 119.914 0.123 0.000 2.688 384 V HA -0.209 3.911 4.120 -0.000 0.000 0.256 384 V C 2.019 178.337 176.094 0.373 0.000 1.084 384 V CA 1.804 64.338 62.300 0.389 0.000 1.103 384 V CB -0.473 31.595 31.823 0.407 0.000 0.688 384 V HN 0.214 nan 8.190 nan 0.000 0.480 385 A N -0.585 122.467 122.820 0.386 0.000 2.066 385 A HA 0.021 4.340 4.320 -0.000 0.000 0.218 385 A C 2.088 179.807 177.584 0.224 0.000 1.157 385 A CA 1.793 54.040 52.037 0.350 0.000 0.670 385 A CB -0.379 18.868 19.000 0.412 0.000 0.804 385 A HN 0.642 nan 8.150 nan 0.000 0.453 386 K N -0.216 120.317 120.400 0.221 0.000 2.501 386 K HA 0.451 4.771 4.320 -0.000 0.000 0.204 386 K C -0.092 176.662 176.600 0.257 0.000 1.067 386 K CA 0.097 56.516 56.287 0.221 0.000 1.060 386 K CB 0.220 32.821 32.500 0.167 0.000 0.873 386 K HN 0.544 nan 8.250 nan 0.000 0.540 387 E N 0.352 120.713 120.200 0.267 0.000 2.335 387 E HA 0.174 4.524 4.350 -0.000 0.000 0.280 387 E C -1.438 175.306 176.600 0.239 0.000 0.918 387 E CA -0.566 55.996 56.400 0.271 0.000 0.765 387 E CB 1.984 31.889 29.700 0.342 0.000 1.218 387 E HN 0.405 nan 8.360 nan 0.000 0.425 388 E N 1.543 121.815 120.200 0.119 0.000 2.265 388 E HA 0.059 4.409 4.350 -0.000 0.000 0.272 388 E C 0.364 177.034 176.600 0.117 0.000 1.067 388 E CA 0.189 56.672 56.400 0.138 0.000 0.900 388 E CB 1.003 30.863 29.700 0.265 0.000 1.017 388 E HN 0.440 nan 8.360 nan 0.000 0.431 389 T N 2.974 117.495 114.554 -0.054 0.000 2.777 389 T HA -0.136 4.214 4.350 -0.000 0.000 0.266 389 T C 0.425 175.141 174.700 0.027 0.000 1.040 389 T CA 0.393 62.328 62.100 -0.275 0.000 1.141 389 T CB -0.190 68.503 68.868 -0.291 0.000 0.868 389 T HN 0.575 nan 8.240 nan 0.000 0.444 390 F N 0.873 120.740 119.950 -0.138 0.000 3.067 390 F HA -0.077 4.449 4.527 -0.000 0.000 0.279 390 F C 0.811 176.579 175.800 -0.053 0.000 0.945 390 F CA 0.639 58.608 58.000 -0.051 0.000 0.948 390 F CB -1.596 37.422 39.000 0.031 0.000 0.898 390 F HN 0.366 nan 8.300 nan 0.000 0.746 391 G N -1.195 107.584 108.800 -0.036 0.000 2.623 391 G HA2 0.592 4.552 3.960 -0.000 0.000 0.290 391 G HA3 0.592 4.552 3.960 -0.000 0.000 0.290 391 G C -3.014 171.818 174.900 -0.112 0.000 1.437 391 G CA -0.944 44.114 45.100 -0.070 0.000 0.798 391 G HN -0.229 nan 8.290 nan 0.000 0.488 392 P HA 0.179 nan 4.420 nan 0.000 0.238 392 P C -0.479 176.844 177.300 0.038 0.000 1.714 392 P CA -0.088 63.010 63.100 -0.003 0.000 0.908 392 P CB 0.031 31.914 31.700 0.305 0.000 1.893 393 L N 0.843 122.016 121.223 -0.083 0.000 2.287 393 L HA 0.650 4.990 4.340 -0.000 0.000 0.287 393 L C -0.345 176.545 176.870 0.033 0.000 1.022 393 L CA -0.891 53.961 54.840 0.019 0.000 0.814 393 L CB 1.406 43.468 42.059 0.006 0.000 1.217 393 L HN 0.032 nan 8.230 nan 0.000 0.420 394 A N 7.282 130.186 122.820 0.139 0.000 2.540 394 A HA 0.748 5.068 4.320 -0.000 0.000 0.340 394 A C -2.596 175.101 177.584 0.188 0.000 1.424 394 A CA -1.273 50.899 52.037 0.226 0.000 0.940 394 A CB -0.307 18.761 19.000 0.114 0.000 1.149 394 A HN 0.543 nan 8.150 nan 0.000 0.505 395 P HA 0.393 nan 4.420 nan 0.000 0.297 395 P C -0.754 176.697 177.300 0.251 0.000 1.342 395 P CA -0.101 63.103 63.100 0.174 0.000 0.801 395 P CB 1.000 32.798 31.700 0.163 0.000 0.920 396 L N 4.393 125.677 121.223 0.102 0.000 2.287 396 L HA 0.437 4.777 4.340 -0.000 0.000 0.280 396 L C 0.394 177.380 176.870 0.193 0.000 1.055 396 L CA -0.654 54.277 54.840 0.152 0.000 0.863 396 L CB -0.436 41.585 42.059 -0.064 0.000 1.245 396 L HN 0.216 nan 8.230 nan 0.000 0.432 397 F N 1.875 121.824 119.950 -0.001 0.000 2.408 397 F HA 0.429 4.956 4.527 -0.000 0.000 0.303 397 F C 0.881 176.841 175.800 0.267 0.000 1.268 397 F CA -0.400 57.596 58.000 -0.007 0.000 1.218 397 F CB 0.503 39.229 39.000 -0.456 0.000 1.283 397 F HN 0.455 nan 8.300 nan 0.000 0.545 398 R N 1.397 122.185 120.500 0.479 0.000 2.621 398 R HA 0.537 4.876 4.340 -0.000 0.000 0.284 398 R C -1.990 174.553 176.300 0.406 0.000 0.998 398 R CA -0.576 55.758 56.100 0.391 0.000 0.895 398 R CB 1.630 31.965 30.300 0.060 0.000 1.195 398 R HN 0.656 nan 8.270 nan 0.000 0.450 399 F N 1.171 121.189 119.950 0.112 0.000 2.613 399 F HA 0.759 5.285 4.527 -0.000 0.000 0.310 399 F C -0.469 175.221 175.800 -0.184 0.000 1.085 399 F CA -0.561 57.453 58.000 0.023 0.000 0.945 399 F CB 1.913 40.957 39.000 0.074 0.000 1.298 399 F HN 0.514 nan 8.300 nan 0.000 0.455 400 A N 1.385 124.140 122.820 -0.109 0.000 1.973 400 A HA 0.506 4.826 4.320 -0.000 0.000 0.210 400 A C 0.636 178.209 177.584 -0.017 0.000 1.200 400 A CA 0.955 52.846 52.037 -0.243 0.000 0.707 400 A CB -0.627 18.332 19.000 -0.068 0.000 0.862 400 A HN 1.088 nan 8.150 nan 0.000 0.461 401 S N -2.076 113.776 115.700 0.253 0.000 2.685 401 S HA 0.498 4.968 4.470 -0.000 0.000 0.282 401 S C 0.323 175.189 174.600 0.443 0.000 1.159 401 S CA 0.093 58.502 58.200 0.348 0.000 0.833 401 S CB 1.454 64.782 63.200 0.213 0.000 1.151 401 S HN 0.218 nan 8.310 nan 0.000 0.485 402 E N 0.593 121.030 120.200 0.396 0.000 2.015 402 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 402 E C 1.859 178.557 176.600 0.163 0.000 0.991 402 E CA 1.158 57.771 56.400 0.354 0.000 0.802 402 E CB -0.226 29.662 29.700 0.312 0.000 0.759 402 E HN 0.760 nan 8.360 nan 0.000 0.447 403 E N 1.034 121.311 120.200 0.128 0.000 2.171 403 E HA -0.306 4.044 4.350 -0.000 0.000 0.197 403 E C 1.797 178.423 176.600 0.044 0.000 0.997 403 E CA 1.409 57.851 56.400 0.069 0.000 0.810 403 E CB -0.080 29.659 29.700 0.066 0.000 0.738 403 E HN 0.383 nan 8.360 nan 0.000 0.467 404 E N 0.137 120.380 120.200 0.073 0.000 2.076 404 E HA -0.138 4.212 4.350 -0.000 0.000 0.190 404 E C 2.478 179.050 176.600 -0.046 0.000 0.979 404 E CA 0.737 57.169 56.400 0.054 0.000 0.807 404 E CB -0.091 29.686 29.700 0.128 0.000 0.761 404 E HN 0.309 nan 8.360 nan 0.000 0.454 405 L N 0.641 121.786 121.223 -0.131 0.000 2.056 405 L HA -0.132 4.208 4.340 -0.000 0.000 0.207 405 L C 2.267 178.885 176.870 -0.419 0.000 1.078 405 L CA 1.066 55.616 54.840 -0.484 0.000 0.749 405 L CB -0.222 41.315 42.059 -0.871 0.000 0.901 405 L HN -0.028 nan 8.230 nan 0.000 0.433 406 V N 0.241 120.029 119.914 -0.211 0.000 2.255 406 V HA -0.333 3.787 4.120 -0.000 0.000 0.247 406 V C 2.793 178.803 176.094 -0.140 0.000 1.051 406 V CA 2.352 64.564 62.300 -0.146 0.000 1.018 406 V CB -0.806 30.981 31.823 -0.059 0.000 0.641 406 V HN 0.545 nan 8.190 nan 0.000 0.445 407 R N -0.678 119.759 120.500 -0.105 0.000 2.091 407 R HA -0.172 4.168 4.340 -0.000 0.000 0.238 407 R C 2.225 178.465 176.300 -0.099 0.000 1.136 407 R CA 1.584 57.639 56.100 -0.076 0.000 0.959 407 R CB -0.248 30.030 30.300 -0.037 0.000 0.856 407 R HN 0.342 nan 8.270 nan 0.000 0.437 408 L N 0.370 121.493 121.223 -0.166 0.000 2.056 408 L HA -0.025 4.315 4.340 -0.000 0.000 0.207 408 L C 2.426 179.127 176.870 -0.281 0.000 1.078 408 L CA 2.017 56.744 54.840 -0.188 0.000 0.749 408 L CB -0.923 40.997 42.059 -0.231 0.000 0.901 408 L HN 0.256 nan 8.230 nan 0.000 0.433 409 A N -0.853 121.688 122.820 -0.464 0.000 1.929 409 A HA -0.137 4.183 4.320 -0.000 0.000 0.216 409 A C 1.951 179.530 177.584 -0.007 0.000 1.176 409 A CA 1.407 53.242 52.037 -0.337 0.000 0.628 409 A CB -0.465 18.285 19.000 -0.416 0.000 0.816 409 A HN 0.466 nan 8.150 nan 0.000 0.444 410 N N 0.263 118.937 118.700 -0.044 0.000 2.467 410 N HA -0.040 4.700 4.740 -0.000 0.000 0.184 410 N C -0.099 175.378 175.510 -0.055 0.000 1.106 410 N CA 0.622 53.645 53.050 -0.046 0.000 0.892 410 N CB -0.236 38.207 38.487 -0.074 0.000 0.969 410 N HN 0.470 nan 8.380 nan 0.000 0.454 411 D N 0.479 120.860 120.400 -0.032 0.000 2.767 411 D HA 0.065 4.705 4.640 -0.000 0.000 0.231 411 D C -0.619 175.688 176.300 0.012 0.000 1.105 411 D CA 0.191 54.183 54.000 -0.014 0.000 1.024 411 D CB -0.142 40.660 40.800 0.004 0.000 1.123 411 D HN -0.079 nan 8.370 nan 0.000 0.470 412 T N -1.223 113.321 114.554 -0.017 0.000 2.840 412 T HA 0.469 4.819 4.350 -0.000 0.000 0.317 412 T C 0.716 175.325 174.700 -0.152 0.000 1.401 412 T CA 0.063 62.157 62.100 -0.010 0.000 1.028 412 T CB 1.115 70.068 68.868 0.142 0.000 1.317 412 T HN -0.029 nan 8.240 nan 0.000 0.495 413 E N 1.585 121.577 120.200 -0.346 0.000 2.482 413 E HA 0.303 4.653 4.350 -0.000 0.000 0.196 413 E C 0.003 176.238 176.600 -0.608 0.000 1.047 413 E CA 0.705 56.776 56.400 -0.548 0.000 0.869 413 E CB -0.307 28.963 29.700 -0.716 0.000 0.836 413 E HN 0.499 nan 8.360 nan 0.000 0.520 414 F N -1.258 118.654 119.950 -0.064 0.000 2.450 414 F HA 0.680 5.207 4.527 -0.000 0.000 0.328 414 F C 1.251 176.930 175.800 -0.202 0.000 1.068 414 F CA -0.886 57.071 58.000 -0.071 0.000 1.007 414 F CB 2.510 41.518 39.000 0.014 0.000 1.251 414 F HN -0.060 nan 8.300 nan 0.000 0.492 415 G N 1.107 109.918 108.800 0.018 0.000 4.836 415 G HA2 0.315 4.275 3.960 -0.000 0.000 0.222 415 G HA3 0.315 4.275 3.960 -0.000 0.000 0.222 415 G C -0.522 174.374 174.900 -0.006 0.000 1.332 415 G CA -0.154 44.775 45.100 -0.286 0.000 0.606 415 G HN 0.545 nan 8.290 nan 0.000 0.357 416 L N 1.255 122.559 121.223 0.135 0.000 2.035 416 L HA 0.843 5.183 4.340 -0.000 0.000 0.207 416 L C 1.523 178.379 176.870 -0.022 0.000 1.173 416 L CA 1.406 56.247 54.840 0.001 0.000 0.852 416 L CB -0.363 41.666 42.059 -0.050 0.000 0.946 416 L HN 0.334 nan 8.230 nan 0.000 0.483 417 A N -0.924 121.835 122.820 -0.102 0.000 2.279 417 A HA 0.791 5.111 4.320 -0.000 0.000 0.303 417 A C -0.773 176.531 177.584 -0.467 0.000 1.108 417 A CA 0.108 51.959 52.037 -0.310 0.000 0.830 417 A CB 0.516 19.315 19.000 -0.334 0.000 1.106 417 A HN 0.700 nan 8.150 nan 0.000 0.493 418 A N 0.185 122.543 122.820 -0.771 0.000 2.574 418 A HA 0.724 5.044 4.320 -0.000 0.000 0.297 418 A C -1.679 175.372 177.584 -0.889 0.000 1.062 418 A CA -0.433 51.100 52.037 -0.841 0.000 0.686 418 A CB 0.885 19.238 19.000 -1.079 0.000 1.285 418 A HN 0.848 nan 8.150 nan 0.000 0.403 419 Y N 0.159 120.239 120.300 -0.366 0.000 2.477 419 Y HA 0.724 5.274 4.550 -0.000 0.000 0.347 419 Y C -0.518 175.131 175.900 -0.418 0.000 0.981 419 Y CA -0.932 56.929 58.100 -0.399 0.000 1.033 419 Y CB 2.399 40.552 38.460 -0.511 0.000 1.245 419 Y HN 0.653 nan 8.280 nan 0.000 0.455 420 L N 3.236 124.353 121.223 -0.177 0.000 2.470 420 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 420 L C -2.283 174.551 176.870 -0.060 0.000 0.964 420 L CA -1.029 53.758 54.840 -0.089 0.000 0.839 420 L CB 1.155 43.144 42.059 -0.116 0.000 1.276 420 L HN 0.611 nan 8.230 nan 0.000 0.403 421 Y N 3.740 124.033 120.300 -0.011 0.000 2.376 421 Y HA 0.717 5.267 4.550 -0.000 0.000 0.326 421 Y C 0.070 176.068 175.900 0.164 0.000 0.970 421 Y CA -0.187 57.956 58.100 0.070 0.000 1.248 421 Y CB 2.026 40.554 38.460 0.113 0.000 1.117 421 Y HN 0.701 nan 8.280 nan 0.000 0.476 422 S N 2.371 118.167 115.700 0.160 0.000 2.547 422 S HA 0.467 4.937 4.470 -0.000 0.000 0.270 422 S C -0.178 174.445 174.600 0.038 0.000 1.150 422 S CA -0.752 57.517 58.200 0.114 0.000 0.850 422 S CB 1.713 64.898 63.200 -0.025 0.000 1.118 422 S HN 0.708 nan 8.310 nan 0.000 0.461 423 R N 1.388 121.911 120.500 0.039 0.000 2.237 423 R HA 0.323 4.663 4.340 -0.000 0.000 0.195 423 R C -0.266 176.037 176.300 0.005 0.000 0.956 423 R CA 0.482 56.599 56.100 0.028 0.000 1.029 423 R CB -0.056 30.271 30.300 0.045 0.000 0.972 423 R HN 0.703 nan 8.270 nan 0.000 0.493 424 D N 0.220 120.608 120.400 -0.021 0.000 2.339 424 D HA -0.022 4.618 4.640 -0.000 0.000 0.256 424 D C 1.370 177.662 176.300 -0.013 0.000 1.214 424 D CA 0.010 53.993 54.000 -0.028 0.000 0.877 424 D CB 0.528 41.293 40.800 -0.058 0.000 1.111 424 D HN -0.004 nan 8.370 nan 0.000 0.478 425 I N 3.871 124.447 120.570 0.009 0.000 2.248 425 I HA -0.177 3.993 4.170 -0.000 0.000 0.248 425 I C 1.642 177.800 176.117 0.068 0.000 1.107 425 I CA 1.527 62.855 61.300 0.047 0.000 1.373 425 I CB -0.496 37.502 38.000 -0.003 0.000 1.055 425 I HN 0.627 nan 8.210 nan 0.000 0.418 426 G N 0.030 108.837 108.800 0.011 0.000 2.430 426 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 426 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 426 G C 1.846 176.759 174.900 0.021 0.000 1.146 426 G CA 0.441 45.549 45.100 0.014 0.000 0.793 426 G HN 0.328 nan 8.290 nan 0.000 0.537 427 R N -0.087 120.385 120.500 -0.047 0.000 2.055 427 R HA 0.016 4.356 4.340 -0.000 0.000 0.228 427 R C 2.667 178.891 176.300 -0.127 0.000 1.143 427 R CA 1.218 57.226 56.100 -0.154 0.000 0.945 427 R CB -0.531 29.576 30.300 -0.322 0.000 0.841 427 R HN 0.131 nan 8.270 nan 0.000 0.429 428 V N 0.025 119.887 119.914 -0.086 0.000 2.313 428 V HA -0.320 3.800 4.120 -0.000 0.000 0.253 428 V C 1.858 177.912 176.094 -0.067 0.000 1.070 428 V CA 2.190 64.448 62.300 -0.071 0.000 1.057 428 V CB -0.605 31.215 31.823 -0.006 0.000 0.653 428 V HN 0.495 nan 8.190 nan 0.000 0.450 429 W N -0.138 121.104 121.300 -0.096 0.000 2.443 429 W HA 0.034 4.693 4.660 -0.000 0.000 0.296 429 W C 2.780 179.259 176.519 -0.066 0.000 1.202 429 W CA 1.056 58.357 57.345 -0.073 0.000 1.312 429 W CB -0.314 29.110 29.460 -0.060 0.000 1.120 429 W HN 0.019 nan 8.180 nan 0.000 0.536 430 R N -0.288 120.287 120.500 0.125 0.000 2.083 430 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 430 R C 1.884 178.181 176.300 -0.005 0.000 1.137 430 R CA 2.061 58.192 56.100 0.053 0.000 0.951 430 R CB -1.117 29.196 30.300 0.023 0.000 0.851 430 R HN 0.075 nan 8.270 nan 0.000 0.434 431 V N 0.792 120.681 119.914 -0.042 0.000 2.261 431 V HA -0.240 3.879 4.120 -0.000 0.000 0.246 431 V C 2.435 178.473 176.094 -0.093 0.000 1.047 431 V CA 1.997 64.267 62.300 -0.050 0.000 1.015 431 V CB -0.800 31.006 31.823 -0.029 0.000 0.642 431 V HN 0.435 nan 8.190 nan 0.000 0.446 432 A N -0.505 122.215 122.820 -0.167 0.000 1.978 432 A HA -0.250 4.070 4.320 -0.000 0.000 0.220 432 A C 2.170 179.632 177.584 -0.203 0.000 1.170 432 A CA 1.947 53.839 52.037 -0.241 0.000 0.636 432 A CB -0.456 18.294 19.000 -0.417 0.000 0.810 432 A HN 0.656 nan 8.150 nan 0.000 0.448 433 E N -0.550 119.553 120.200 -0.162 0.000 2.152 433 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 433 E C 2.222 178.788 176.600 -0.058 0.000 0.983 433 E CA 0.723 57.067 56.400 -0.095 0.000 0.818 433 E CB -0.187 29.502 29.700 -0.018 0.000 0.758 433 E HN 0.628 nan 8.360 nan 0.000 0.467 434 A N 1.170 123.962 122.820 -0.046 0.000 1.970 434 A HA -0.002 4.318 4.320 -0.000 0.000 0.216 434 A C 1.242 178.806 177.584 -0.034 0.000 1.170 434 A CA 0.170 52.186 52.037 -0.035 0.000 0.645 434 A CB -0.331 18.654 19.000 -0.025 0.000 0.816 434 A HN 0.100 nan 8.150 nan 0.000 0.447 435 L N 1.868 123.076 121.223 -0.025 0.000 2.615 435 L HA -0.011 4.329 4.340 -0.000 0.000 0.271 435 L C 0.011 176.918 176.870 0.061 0.000 1.183 435 L CA -0.026 54.850 54.840 0.061 0.000 0.933 435 L CB 0.250 42.336 42.059 0.045 0.000 1.199 435 L HN 0.368 nan 8.230 nan 0.000 0.487 436 E N 5.017 125.197 120.200 -0.033 0.000 1.972 436 E HA 0.144 4.494 4.350 -0.000 0.000 0.292 436 E C -1.165 175.116 176.600 -0.530 0.000 1.193 436 E CA 0.049 56.310 56.400 -0.232 0.000 1.228 436 E CB 0.084 29.625 29.700 -0.266 0.000 1.167 436 E HN 0.383 nan 8.360 nan 0.000 0.479 437 Y N -1.507 118.712 120.300 -0.136 0.000 2.634 437 Y HA 0.377 4.927 4.550 -0.000 0.000 0.340 437 Y C 1.367 177.164 175.900 -0.171 0.000 1.058 437 Y CA -0.940 57.068 58.100 -0.153 0.000 1.081 437 Y CB 1.452 39.801 38.460 -0.185 0.000 1.295 437 Y HN 0.199 nan 8.280 nan 0.000 0.487 438 G N 0.259 109.038 108.800 -0.034 0.000 2.441 438 G HA2 0.131 4.091 3.960 -0.000 0.000 0.212 438 G HA3 0.131 4.091 3.960 -0.000 0.000 0.212 438 G C -0.011 174.794 174.900 -0.158 0.000 1.164 438 G CA 0.179 45.206 45.100 -0.123 0.000 0.811 438 G HN 0.380 nan 8.290 nan 0.000 0.535 439 M N 0.736 120.222 119.600 -0.191 0.000 2.321 439 M HA 0.538 5.017 4.480 -0.000 0.000 0.315 439 M C -1.647 174.468 176.300 -0.308 0.000 1.052 439 M CA -0.531 54.619 55.300 -0.251 0.000 0.936 439 M CB 3.428 35.838 32.600 -0.316 0.000 1.639 439 M HN -0.233 nan 8.290 nan 0.000 0.433 440 V N 1.990 121.722 119.914 -0.304 0.000 2.482 440 V HA 0.561 4.681 4.120 -0.000 0.000 0.295 440 V C 0.336 176.233 176.094 -0.328 0.000 1.026 440 V CA -0.849 61.234 62.300 -0.362 0.000 0.856 440 V CB 1.671 33.315 31.823 -0.298 0.000 1.001 440 V HN 1.017 nan 8.190 nan 0.000 0.424 441 G N 4.710 113.277 108.800 -0.388 0.000 2.442 441 G HA2 0.593 4.553 3.960 -0.000 0.000 0.249 441 G HA3 0.593 4.553 3.960 -0.000 0.000 0.249 441 G C -0.590 174.191 174.900 -0.198 0.000 1.263 441 G CA -0.207 44.786 45.100 -0.178 0.000 0.846 441 G HN 0.639 nan 8.290 nan 0.000 0.555 442 I N 2.131 122.579 120.570 -0.204 0.000 2.439 442 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 442 I C -0.184 175.710 176.117 -0.372 0.000 1.023 442 I CA -0.791 60.346 61.300 -0.272 0.000 1.100 442 I CB 1.649 39.522 38.000 -0.211 0.000 1.238 442 I HN 0.509 nan 8.210 nan 0.000 0.445 443 N N 2.026 120.273 118.700 -0.755 0.000 2.693 443 N HA -0.186 4.554 4.740 -0.000 0.000 0.249 443 N C -0.123 174.997 175.510 -0.651 0.000 1.119 443 N CA 1.380 53.749 53.050 -1.135 0.000 0.717 443 N CB -0.866 37.348 38.487 -0.456 0.000 1.071 443 N HN 0.732 nan 8.380 nan 0.000 0.555 444 T N -2.940 111.397 114.554 -0.362 0.000 2.843 444 T HA 0.627 4.976 4.350 -0.000 0.000 0.302 444 T C 0.816 175.691 174.700 0.291 0.000 1.232 444 T CA 0.109 62.277 62.100 0.112 0.000 1.009 444 T CB 1.605 70.513 68.868 0.067 0.000 1.254 444 T HN 0.048 nan 8.240 nan 0.000 0.504 445 G N 0.992 109.966 108.800 0.291 0.000 3.062 445 G HA2 0.393 4.353 3.960 -0.000 0.000 0.228 445 G HA3 0.393 4.353 3.960 -0.000 0.000 0.228 445 G C -0.189 174.785 174.900 0.124 0.000 1.094 445 G CA -0.092 45.101 45.100 0.155 0.000 0.782 445 G HN 0.539 nan 8.290 nan 0.000 0.541 446 L N 1.430 122.756 121.223 0.172 0.000 2.333 446 L HA 0.533 4.873 4.340 -0.000 0.000 0.280 446 L C 0.691 177.640 176.870 0.133 0.000 1.004 446 L CA -0.743 54.180 54.840 0.138 0.000 0.820 446 L CB 1.979 44.077 42.059 0.066 0.000 1.247 446 L HN 0.233 nan 8.230 nan 0.000 0.416 447 I N -2.581 118.072 120.570 0.137 0.000 4.592 447 I HA 0.278 4.448 4.170 -0.000 0.000 0.329 447 I C 0.365 176.529 176.117 0.078 0.000 1.309 447 I CA -0.031 61.319 61.300 0.083 0.000 1.243 447 I CB 1.021 39.046 38.000 0.042 0.000 1.241 447 I HN 0.345 nan 8.210 nan 0.000 0.434 448 S N 3.243 118.999 115.700 0.094 0.000 2.528 448 S HA 0.461 4.931 4.470 -0.000 0.000 0.277 448 S C -0.369 174.268 174.600 0.062 0.000 1.297 448 S CA -0.298 57.991 58.200 0.148 0.000 1.052 448 S CB 0.489 63.760 63.200 0.117 0.000 0.917 448 S HN 0.769 nan 8.310 nan 0.000 0.492 449 N N 0.260 119.044 118.700 0.139 0.000 3.020 449 N HA 0.203 4.943 4.740 -0.000 0.000 0.248 449 N C 0.187 175.575 175.510 -0.204 0.000 1.480 449 N CA -0.907 52.156 53.050 0.022 0.000 0.874 449 N CB 0.455 38.885 38.487 -0.095 0.000 1.433 449 N HN 0.369 nan 8.380 nan 0.000 0.530 450 E N -0.393 119.420 120.200 -0.646 0.000 2.285 450 E HA -0.078 4.272 4.350 -0.000 0.000 0.194 450 E C 0.993 176.901 176.600 -1.154 0.000 0.997 450 E CA 1.196 56.852 56.400 -1.241 0.000 0.845 450 E CB -0.068 28.787 29.700 -1.407 0.000 0.782 450 E HN 0.440 nan 8.360 nan 0.000 0.491 451 V N -0.138 119.232 119.914 -0.906 0.000 3.650 451 V HA 0.438 4.557 4.120 -0.000 0.000 0.271 451 V C 0.730 176.595 176.094 -0.383 0.000 1.281 451 V CA 0.367 62.086 62.300 -0.968 0.000 1.120 451 V CB -0.103 31.253 31.823 -0.779 0.000 0.856 451 V HN 0.297 nan 8.190 nan 0.000 0.443 452 A N 2.449 125.143 122.820 -0.210 0.000 2.305 452 A HA 0.819 5.139 4.320 -0.000 0.000 0.322 452 A C -2.714 174.923 177.584 0.088 0.000 1.187 452 A CA -1.929 50.096 52.037 -0.020 0.000 0.825 452 A CB 0.645 19.650 19.000 0.009 0.000 1.164 452 A HN 0.361 nan 8.150 nan 0.000 0.498 453 P HA 0.206 nan 4.420 nan 0.000 0.276 453 P C -1.144 176.231 177.300 0.125 0.000 1.253 453 P CA 0.334 63.513 63.100 0.132 0.000 0.766 453 P CB 0.236 31.933 31.700 -0.004 0.000 0.845 454 F N 4.119 124.086 119.950 0.029 0.000 2.426 454 F HA 0.687 5.214 4.527 -0.000 0.000 0.348 454 F C 0.241 176.038 175.800 -0.006 0.000 1.124 454 F CA 0.444 58.452 58.000 0.014 0.000 1.008 454 F CB 1.502 40.535 39.000 0.055 0.000 1.139 454 F HN 0.602 nan 8.300 nan 0.000 0.452 455 G N 2.671 111.293 108.800 -0.297 0.000 2.313 455 G HA2 0.466 4.426 3.960 -0.000 0.000 0.296 455 G HA3 0.466 4.426 3.960 -0.000 0.000 0.296 455 G C -1.574 173.196 174.900 -0.217 0.000 1.356 455 G CA -0.233 44.764 45.100 -0.171 0.000 0.833 455 G HN 0.981 nan 8.290 nan 0.000 0.552 456 G N -1.642 107.086 108.800 -0.121 0.000 2.600 456 G HA2 0.919 4.879 3.960 -0.000 0.000 0.303 456 G HA3 0.919 4.879 3.960 -0.000 0.000 0.303 456 G C -0.213 174.637 174.900 -0.083 0.000 1.253 456 G CA 0.155 45.194 45.100 -0.101 0.000 0.974 456 G HN 1.824 nan 8.290 nan 0.000 0.483 457 V N -2.154 117.700 119.914 -0.100 0.000 3.177 457 V HA 0.855 4.975 4.120 -0.000 0.000 0.319 457 V C 0.722 176.754 176.094 -0.104 0.000 1.125 457 V CA -0.435 61.800 62.300 -0.110 0.000 1.029 457 V CB 1.009 32.746 31.823 -0.145 0.000 1.119 457 V HN 1.090 nan 8.190 nan 0.000 0.452 458 K N -0.779 119.556 120.400 -0.107 0.000 1.791 458 K HA -0.224 4.096 4.320 -0.000 0.000 0.140 458 K C 0.969 177.527 176.600 -0.070 0.000 1.312 458 K CA 1.769 57.988 56.287 -0.113 0.000 0.382 458 K CB -1.269 31.129 32.500 -0.170 0.000 0.635 458 K HN 0.794 nan 8.250 nan 0.000 0.838 459 Q N 0.631 120.382 119.800 -0.082 0.000 2.373 459 Q HA 0.154 4.493 4.340 -0.000 0.000 0.206 459 Q C 0.962 177.069 176.000 0.179 0.000 0.942 459 Q CA 0.786 56.588 55.803 -0.001 0.000 0.953 459 Q CB 0.591 29.241 28.738 -0.147 0.000 1.022 459 Q HN 0.374 nan 8.270 nan 0.000 0.502 460 S N -0.521 115.258 115.700 0.132 0.000 2.528 460 S HA 0.339 4.808 4.470 -0.000 0.000 0.219 460 S C 0.884 175.528 174.600 0.072 0.000 0.985 460 S CA 0.500 58.780 58.200 0.132 0.000 0.914 460 S CB 0.475 63.721 63.200 0.078 0.000 0.776 460 S HN 0.621 nan 8.310 nan 0.000 0.526 461 G N 0.472 109.301 108.800 0.049 0.000 2.270 461 G HA2 0.133 4.093 3.960 -0.000 0.000 0.268 461 G HA3 0.133 4.093 3.960 -0.000 0.000 0.268 461 G C -2.140 172.768 174.900 0.013 0.000 1.312 461 G CA -1.065 44.062 45.100 0.045 0.000 1.050 461 G HN 0.225 nan 8.290 nan 0.000 0.474 462 L N 0.187 121.421 121.223 0.018 0.000 2.482 462 L HA 0.720 5.060 4.340 -0.000 0.000 0.263 462 L C 0.672 177.545 176.870 0.004 0.000 0.957 462 L CA 0.008 54.848 54.840 0.000 0.000 0.836 462 L CB 1.859 43.917 42.059 -0.001 0.000 1.324 462 L HN 2.584 nan 8.230 nan 0.000 0.406 463 G N 1.726 110.521 108.800 -0.008 0.000 2.795 463 G HA2 -0.071 3.889 3.960 -0.000 0.000 0.664 463 G HA3 -0.071 3.889 3.960 -0.000 0.000 0.664 463 G C -1.362 173.551 174.900 0.022 0.000 1.381 463 G CA -0.893 44.209 45.100 0.005 0.000 0.853 463 G HN 0.509 nan 8.290 nan 0.000 0.545 464 R N 0.179 120.715 120.500 0.059 0.000 2.795 464 R HA 0.665 5.005 4.340 -0.000 0.000 0.275 464 R C -0.422 175.998 176.300 0.201 0.000 0.981 464 R CA -0.735 55.425 56.100 0.100 0.000 0.917 464 R CB 1.923 32.239 30.300 0.028 0.000 1.202 464 R HN 0.744 nan 8.270 nan 0.000 0.469 465 E N -0.288 120.066 120.200 0.257 0.000 2.288 465 E HA 0.604 4.954 4.350 -0.000 0.000 0.268 465 E C -0.428 176.407 176.600 0.391 0.000 0.885 465 E CA -0.568 56.011 56.400 0.299 0.000 0.767 465 E CB 2.330 32.123 29.700 0.156 0.000 1.220 465 E HN 0.786 nan 8.360 nan 0.000 0.427 466 G N 1.815 110.975 108.800 0.601 0.000 2.795 466 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.664 466 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.664 466 G C -0.006 175.086 174.900 0.320 0.000 1.381 466 G CA -0.271 45.117 45.100 0.481 0.000 0.853 466 G HN 1.560 nan 8.290 nan 0.000 0.545 467 S N -2.172 113.512 115.700 -0.026 0.000 3.323 467 S HA -0.289 4.181 4.470 -0.000 0.000 0.637 467 S C 1.312 176.260 174.600 0.579 0.000 2.667 467 S CA 1.769 60.105 58.200 0.228 0.000 2.852 467 S CB -1.051 62.248 63.200 0.165 0.000 0.331 467 S HN 2.738 nan 8.310 nan 0.000 1.796 468 H N 0.300 119.594 119.070 0.374 0.000 2.495 468 H HA -0.012 4.544 4.556 -0.000 0.000 0.287 468 H C 1.753 177.177 175.328 0.160 0.000 1.033 468 H CA 1.743 57.901 56.048 0.183 0.000 1.307 468 H CB -0.716 29.032 29.762 -0.024 0.000 1.401 468 H HN 0.692 nan 8.280 nan 0.000 0.555 469 Y N 1.987 122.160 120.300 -0.211 0.000 2.274 469 Y HA -0.020 4.530 4.550 -0.000 0.000 0.290 469 Y C 3.035 179.045 175.900 0.184 0.000 1.145 469 Y CA 1.108 59.180 58.100 -0.047 0.000 1.203 469 Y CB -0.662 37.730 38.460 -0.113 0.000 0.984 469 Y HN 0.375 nan 8.280 nan 0.000 0.533 470 G N -0.167 108.929 108.800 0.493 0.000 2.450 470 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.220 470 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.220 470 G C 1.653 176.835 174.900 0.470 0.000 1.130 470 G CA 1.125 46.562 45.100 0.561 0.000 0.760 470 G HN 0.511 nan 8.290 nan 0.000 0.557 471 I N -0.287 120.575 120.570 0.487 0.000 3.603 471 I HA 0.073 4.243 4.170 -0.000 0.000 0.297 471 I C 1.488 177.803 176.117 0.329 0.000 1.269 471 I CA 0.310 61.825 61.300 0.358 0.000 1.361 471 I CB 0.115 38.318 38.000 0.338 0.000 1.063 471 I HN -0.012 nan 8.210 nan 0.000 0.448 472 D N 1.077 121.649 120.400 0.285 0.000 2.178 472 D HA -0.167 4.473 4.640 -0.000 0.000 0.202 472 D C 1.226 177.619 176.300 0.154 0.000 0.974 472 D CA 1.075 55.199 54.000 0.206 0.000 0.841 472 D CB -0.037 40.880 40.800 0.195 0.000 0.953 472 D HN 0.367 nan 8.370 nan 0.000 0.478 473 D N -0.365 120.112 120.400 0.128 0.000 2.350 473 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 473 D C 0.983 177.144 176.300 -0.232 0.000 0.968 473 D CA 0.568 54.522 54.000 -0.078 0.000 0.894 473 D CB -0.111 40.580 40.800 -0.181 0.000 0.909 473 D HN 0.408 nan 8.370 nan 0.000 0.520 474 Y N -0.399 119.925 120.300 0.039 0.000 2.485 474 Y HA 0.152 4.702 4.550 -0.000 0.000 0.260 474 Y C 0.722 176.651 175.900 0.049 0.000 1.173 474 Y CA -0.485 57.628 58.100 0.022 0.000 1.252 474 Y CB 0.573 39.035 38.460 0.002 0.000 1.123 474 Y HN -0.228 nan 8.280 nan 0.000 0.524 475 V N -3.189 116.824 119.914 0.166 0.000 3.074 475 V HA 0.771 4.890 4.120 -0.000 0.000 0.314 475 V C -0.899 175.257 176.094 0.104 0.000 1.117 475 V CA -1.281 61.105 62.300 0.144 0.000 1.014 475 V CB 2.035 33.946 31.823 0.146 0.000 1.057 475 V HN -0.314 nan 8.190 nan 0.000 0.438 476 V N 2.629 122.609 119.914 0.109 0.000 2.680 476 V HA 0.609 4.729 4.120 -0.000 0.000 0.309 476 V C -0.309 175.840 176.094 0.092 0.000 1.052 476 V CA -0.631 61.724 62.300 0.092 0.000 0.908 476 V CB 1.822 33.704 31.823 0.098 0.000 1.001 476 V HN 1.052 nan 8.190 nan 0.000 0.431 477 I N 4.071 124.691 120.570 0.082 0.000 2.385 477 I HA 0.604 4.773 4.170 -0.000 0.000 0.294 477 I C -0.507 175.666 176.117 0.093 0.000 0.988 477 I CA -0.161 61.189 61.300 0.084 0.000 1.265 477 I CB 0.924 38.969 38.000 0.074 0.000 1.388 477 I HN 0.628 nan 8.210 nan 0.000 0.480 478 K N 6.028 126.487 120.400 0.099 0.000 2.345 478 K HA 0.299 4.619 4.320 -0.000 0.000 0.255 478 K C -1.898 174.798 176.600 0.159 0.000 0.934 478 K CA -0.769 55.583 56.287 0.107 0.000 0.801 478 K CB 1.531 34.074 32.500 0.071 0.000 1.137 478 K HN 0.691 nan 8.250 nan 0.000 0.424 479 Y N 5.844 126.157 120.300 0.021 0.000 2.331 479 Y HA 0.361 4.911 4.550 -0.000 0.000 0.338 479 Y C -1.501 174.407 175.900 0.013 0.000 0.976 479 Y CA -1.159 56.951 58.100 0.017 0.000 1.137 479 Y CB 0.660 39.130 38.460 0.016 0.000 1.172 479 Y HN 0.410 nan 8.280 nan 0.000 0.478 480 L N 7.481 128.678 121.223 -0.043 0.000 2.265 480 L HA 0.365 4.705 4.340 -0.000 0.000 0.289 480 L C -0.515 176.188 176.870 -0.280 0.000 1.033 480 L CA -0.745 53.969 54.840 -0.211 0.000 0.814 480 L CB 1.208 43.233 42.059 -0.057 0.000 1.203 480 L HN 0.725 nan 8.230 nan 0.000 0.423 481 C N 5.365 124.384 119.300 -0.468 0.000 2.203 481 C HA 0.506 4.966 4.460 -0.000 0.000 0.325 481 C C 0.342 175.267 174.990 -0.109 0.000 1.156 481 C CA -0.414 58.454 59.018 -0.251 0.000 1.597 481 C CB -0.072 27.472 27.740 -0.326 0.000 2.148 481 C HN 0.562 nan 8.230 nan 0.000 0.472 482 V N 6.731 126.625 119.914 -0.034 0.000 2.364 482 V HA 0.485 4.605 4.120 -0.000 0.000 0.272 482 V C 0.882 176.972 176.094 -0.007 0.000 1.036 482 V CA -0.353 61.934 62.300 -0.023 0.000 0.880 482 V CB 0.931 32.749 31.823 -0.008 0.000 0.991 482 V HN 1.003 nan 8.190 nan 0.000 0.460 483 A N 5.475 128.287 122.820 -0.014 0.000 2.454 483 A HA 0.627 4.946 4.320 -0.000 0.000 0.260 483 A C -0.136 177.447 177.584 -0.003 0.000 1.106 483 A CA 0.064 52.098 52.037 -0.006 0.000 0.780 483 A CB 0.305 19.300 19.000 -0.010 0.000 1.044 483 A HN 0.704 nan 8.150 nan 0.000 0.498 484 V N 0.000 119.915 119.914 0.002 0.000 2.409 484 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 484 V CA 0.000 62.301 62.300 0.002 0.000 1.235 484 V CB 0.000 31.826 31.823 0.005 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556