REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 3ifg_1_O DATA FIRST_RESID 3 DATA SEQUENCE GSMKDPSLLR HQAYIGGEWQ AADSDATFEV FDPATGESLG TVPKMGAAET DATA SEQUENCE ARAIEAAQAA WAGWRMKTAK ERAAILRRWF DLVIANSDDL ALILTTEQGK DATA SEQUENCE PLAEAKGEIA YAASFIEWFA EEGKRVAGDT LPTPDANKRI VVVKEPIGVC DATA SEQUENCE AAITPWNFPA AMIARKVGPA LAAGCPIVVK PAESTPFSAL AMAFLAERAG DATA SEQUENCE VPKGVLSVVI GDPKAIGTEI TSNPIVRKLS FTGSTAVGRL LMAQSAPTVK DATA SEQUENCE KLTLELGGNA PFIVFDDADL DAAVEGAIAS KYRNNGQTCV CTNRFFVHER DATA SEQUENCE VYDAFADKLA AAVSKLKVGR GTESGATLGP LINEAAVKKV ESHIADALAK DATA SEQUENCE GASLMTGGKR HALGHGFFEP TVLTGVKPDM DVAKEETFGP LAPLFRFASE DATA SEQUENCE EELVRLANDT EFGLAAYLYS RDIGRVWRVA EALEYGMVGI NTGLISNEVA DATA SEQUENCE PFGGVKQSGL GREGSHYGID DYVVIKYLCV AV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 G HA2 0.000 nan 3.960 nan 0.000 0.244 3 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 3 G C 0.000 174.876 174.900 -0.040 0.000 0.946 3 G CA 0.000 45.070 45.100 -0.051 0.000 0.502 4 S N 0.950 116.626 115.700 -0.041 0.000 2.577 4 S HA 0.745 5.215 4.470 0.000 0.000 0.239 4 S C 0.195 174.779 174.600 -0.027 0.000 1.236 4 S CA -0.323 57.859 58.200 -0.029 0.000 1.233 4 S CB -0.398 62.787 63.200 -0.026 0.000 0.908 4 S HN 0.346 nan 8.310 nan 0.000 0.493 5 M N 0.165 119.748 119.600 -0.028 0.000 2.575 5 M HA 0.462 4.942 4.480 0.000 0.000 0.284 5 M C 0.288 176.579 176.300 -0.015 0.000 1.253 5 M CA -0.849 54.437 55.300 -0.022 0.000 0.861 5 M CB 2.017 34.598 32.600 -0.031 0.000 1.733 5 M HN -0.109 nan 8.290 nan 0.000 0.462 6 K N 0.313 120.709 120.400 -0.007 0.000 2.026 6 K HA -0.070 4.250 4.320 0.000 0.000 0.208 6 K C 0.118 176.720 176.600 0.002 0.000 1.048 6 K CA 1.286 57.572 56.287 -0.001 0.000 0.929 6 K CB 0.094 32.596 32.500 0.003 0.000 0.713 6 K HN 0.415 nan 8.250 nan 0.000 0.439 7 D N -0.756 119.648 120.400 0.007 0.000 2.432 7 D HA 0.174 4.814 4.640 0.000 0.000 0.265 7 D C -2.324 173.972 176.300 -0.005 0.000 1.160 7 D CA -2.301 51.710 54.000 0.018 0.000 0.911 7 D CB 1.197 42.029 40.800 0.054 0.000 1.052 7 D HN -0.138 nan 8.370 nan 0.000 0.508 8 P HA -0.023 nan 4.420 nan 0.000 0.241 8 P C 1.149 178.373 177.300 -0.126 0.000 1.191 8 P CA 0.383 63.440 63.100 -0.073 0.000 0.771 8 P CB 0.157 31.818 31.700 -0.066 0.000 0.929 9 S N -0.710 114.916 115.700 -0.124 0.000 2.507 9 S HA -0.046 4.424 4.470 0.000 0.000 0.235 9 S C 1.697 176.038 174.600 -0.431 0.000 0.988 9 S CA 0.589 58.623 58.200 -0.276 0.000 0.944 9 S CB -1.455 61.624 63.200 -0.200 0.000 0.762 9 S HN 0.130 nan 8.310 nan 0.000 0.526 10 L N 0.092 121.219 121.223 -0.160 0.000 2.376 10 L HA 0.223 4.563 4.340 0.000 0.000 0.219 10 L C 0.738 177.509 176.870 -0.165 0.000 1.133 10 L CA 0.179 54.978 54.840 -0.069 0.000 0.816 10 L CB -0.302 41.793 42.059 0.059 0.000 0.933 10 L HN 0.325 nan 8.230 nan 0.000 0.449 11 L N 1.544 122.618 121.223 -0.248 0.000 2.283 11 L HA 0.250 4.590 4.340 0.000 0.000 0.287 11 L C -0.037 176.564 176.870 -0.449 0.000 1.073 11 L CA 0.087 54.728 54.840 -0.333 0.000 0.822 11 L CB 0.155 41.991 42.059 -0.371 0.000 1.186 11 L HN -0.013 nan 8.230 nan 0.000 0.436 12 R N 4.278 124.560 120.500 -0.364 0.000 2.474 12 R HA 0.383 4.723 4.340 0.000 0.000 0.295 12 R C -0.109 175.983 176.300 -0.348 0.000 0.980 12 R CA -0.528 55.327 56.100 -0.408 0.000 0.934 12 R CB 0.970 31.064 30.300 -0.343 0.000 1.101 12 R HN 0.622 nan 8.270 nan 0.000 0.469 13 H N 0.540 119.591 119.070 -0.031 0.000 2.674 13 H HA 0.281 4.837 4.556 0.000 0.000 0.274 13 H C -0.229 175.100 175.328 0.001 0.000 1.121 13 H CA -0.009 56.055 56.048 0.027 0.000 1.132 13 H CB 1.433 31.192 29.762 -0.005 0.000 1.606 13 H HN 0.403 nan 8.280 nan 0.000 0.558 14 Q N 0.190 120.058 119.800 0.114 0.000 2.413 14 Q HA 0.678 5.018 4.340 0.000 0.000 0.276 14 Q C -0.617 175.606 176.000 0.371 0.000 1.099 14 Q CA -0.964 54.966 55.803 0.213 0.000 0.814 14 Q CB 3.194 32.091 28.738 0.265 0.000 1.379 14 Q HN 0.214 nan 8.270 nan 0.000 0.436 15 A N 0.844 123.818 122.820 0.256 0.000 2.304 15 A HA 0.316 4.636 4.320 0.000 0.000 0.271 15 A C -1.411 176.264 177.584 0.150 0.000 1.091 15 A CA -0.086 52.066 52.037 0.193 0.000 0.812 15 A CB 0.289 19.330 19.000 0.068 0.000 1.056 15 A HN 0.676 nan 8.150 nan 0.000 0.489 16 Y N 2.469 122.616 120.300 -0.255 0.000 2.700 16 Y HA 0.414 4.964 4.550 0.000 0.000 0.333 16 Y C -0.676 175.007 175.900 -0.363 0.000 1.036 16 Y CA -1.420 56.304 58.100 -0.627 0.000 1.287 16 Y CB 0.309 38.246 38.460 -0.871 0.000 1.132 16 Y HN 0.363 nan 8.280 nan 0.000 0.510 17 I N 4.550 124.862 120.570 -0.430 0.000 2.328 17 I HA 0.292 4.462 4.170 0.000 0.000 0.287 17 I C 1.061 176.931 176.117 -0.413 0.000 1.012 17 I CA -0.457 60.648 61.300 -0.326 0.000 1.195 17 I CB 0.773 38.674 38.000 -0.165 0.000 1.350 17 I HN 0.823 nan 8.210 nan 0.000 0.464 18 G N 4.894 113.443 108.800 -0.418 0.000 2.283 18 G HA2 -0.165 3.795 3.960 0.000 0.000 0.280 18 G HA3 -0.165 3.795 3.960 0.000 0.000 0.280 18 G C 1.035 175.624 174.900 -0.518 0.000 1.029 18 G CA 0.721 45.597 45.100 -0.374 0.000 0.840 18 G HN 1.543 nan 8.290 nan 0.000 0.505 19 G N -1.591 106.615 108.800 -0.989 0.000 2.153 19 G HA2 -0.099 3.861 3.960 0.000 0.000 0.252 19 G HA3 -0.099 3.861 3.960 0.000 0.000 0.252 19 G C -0.004 174.428 174.900 -0.779 0.000 0.994 19 G CA 1.234 45.600 45.100 -1.224 0.000 0.698 19 G HN 1.462 nan 8.290 nan 0.000 0.521 20 E N -0.900 118.887 120.200 -0.688 0.000 2.246 20 E HA 0.564 4.914 4.350 0.000 0.000 0.266 20 E C -0.397 176.083 176.600 -0.200 0.000 0.880 20 E CA -0.973 55.267 56.400 -0.266 0.000 0.762 20 E CB 0.659 30.276 29.700 -0.138 0.000 1.180 20 E HN 0.275 nan 8.360 nan 0.000 0.416 21 W N 3.287 124.660 121.300 0.122 0.000 2.303 21 W HA 0.320 4.980 4.660 0.000 0.000 0.318 21 W C 0.306 176.857 176.519 0.053 0.000 1.362 21 W CA -0.070 57.355 57.345 0.132 0.000 1.234 21 W CB 0.695 30.233 29.460 0.129 0.000 1.248 21 W HN 0.322 nan 8.180 nan 0.000 0.546 22 Q N 1.870 121.826 119.800 0.260 0.000 2.377 22 Q HA 0.652 4.992 4.340 0.000 0.000 0.279 22 Q C -0.618 175.449 176.000 0.112 0.000 1.049 22 Q CA -1.030 54.853 55.803 0.133 0.000 0.825 22 Q CB 2.423 31.192 28.738 0.051 0.000 1.401 22 Q HN 0.554 nan 8.270 nan 0.000 0.404 23 A N 0.948 123.812 122.820 0.074 0.000 2.271 23 A HA 0.786 5.106 4.320 0.000 0.000 0.288 23 A C -0.198 177.404 177.584 0.031 0.000 1.094 23 A CA -0.051 52.014 52.037 0.046 0.000 0.828 23 A CB 0.453 19.473 19.000 0.033 0.000 1.091 23 A HN 0.764 nan 8.150 nan 0.000 0.493 24 A N 0.495 123.329 122.820 0.022 0.000 2.483 24 A HA 0.276 4.596 4.320 0.000 0.000 0.238 24 A C 0.755 178.350 177.584 0.019 0.000 1.070 24 A CA 0.191 52.241 52.037 0.021 0.000 0.770 24 A CB -0.070 18.946 19.000 0.027 0.000 1.008 24 A HN 0.812 nan 8.150 nan 0.000 0.497 25 D N 1.318 121.727 120.400 0.015 0.000 2.133 25 D HA -0.162 4.478 4.640 0.000 0.000 0.195 25 D C 2.140 178.448 176.300 0.014 0.000 0.997 25 D CA 2.173 56.180 54.000 0.012 0.000 0.840 25 D CB -0.283 40.523 40.800 0.009 0.000 0.947 25 D HN 0.697 nan 8.370 nan 0.000 0.452 26 S N -0.257 115.454 115.700 0.018 0.000 2.607 26 S HA -0.072 4.398 4.470 0.000 0.000 0.224 26 S C 0.547 175.158 174.600 0.019 0.000 0.969 26 S CA 0.262 58.473 58.200 0.019 0.000 0.927 26 S CB 0.190 63.404 63.200 0.023 0.000 0.772 26 S HN 0.037 nan 8.310 nan 0.000 0.533 27 D N 0.581 120.992 120.400 0.018 0.000 3.077 27 D HA -0.161 4.479 4.640 0.000 0.000 0.217 27 D C 0.400 176.711 176.300 0.017 0.000 1.162 27 D CA 1.120 55.129 54.000 0.015 0.000 0.943 27 D CB -1.550 39.256 40.800 0.011 0.000 1.122 27 D HN 0.751 nan 8.370 nan 0.000 0.413 28 A N 0.137 122.974 122.820 0.028 0.000 2.366 28 A HA 0.574 4.894 4.320 0.000 0.000 0.249 28 A C 1.014 178.620 177.584 0.036 0.000 1.084 28 A CA 0.955 53.017 52.037 0.042 0.000 0.794 28 A CB 0.739 19.776 19.000 0.060 0.000 1.034 28 A HN 0.307 nan 8.150 nan 0.000 0.491 29 T N -1.754 112.831 114.554 0.052 0.000 2.816 29 T HA 0.725 5.075 4.350 0.000 0.000 0.299 29 T C -0.664 174.108 174.700 0.120 0.000 1.230 29 T CA -0.496 61.602 62.100 -0.003 0.000 1.007 29 T CB 1.148 69.992 68.868 -0.041 0.000 1.289 29 T HN 1.313 nan 8.240 nan 0.000 0.508 30 F N -1.248 118.699 119.950 -0.005 0.000 2.588 30 F HA 0.847 5.374 4.527 0.000 0.000 0.314 30 F C -0.342 175.437 175.800 -0.035 0.000 1.069 30 F CA -1.309 56.689 58.000 -0.004 0.000 0.931 30 F CB 1.527 40.530 39.000 0.005 0.000 1.260 30 F HN 0.769 nan 8.300 nan 0.000 0.465 31 E N 1.516 121.800 120.200 0.140 0.000 2.283 31 E HA 0.555 4.905 4.350 0.000 0.000 0.278 31 E C -1.366 175.111 176.600 -0.205 0.000 1.027 31 E CA -0.792 55.526 56.400 -0.137 0.000 0.843 31 E CB 1.636 31.211 29.700 -0.208 0.000 1.062 31 E HN 0.614 nan 8.360 nan 0.000 0.401 32 V N 4.945 124.679 119.914 -0.301 0.000 2.435 32 V HA 0.409 4.529 4.120 0.000 0.000 0.290 32 V C -0.683 175.202 176.094 -0.348 0.000 1.030 32 V CA -0.621 61.607 62.300 -0.120 0.000 0.881 32 V CB 0.760 32.681 31.823 0.164 0.000 0.983 32 V HN 0.530 nan 8.190 nan 0.000 0.445 33 F N 1.483 121.501 119.950 0.115 0.000 2.520 33 F HA 0.390 4.917 4.527 0.000 0.000 0.322 33 F C 0.423 176.235 175.800 0.019 0.000 1.103 33 F CA -0.898 57.135 58.000 0.055 0.000 0.926 33 F CB 1.384 40.401 39.000 0.028 0.000 1.154 33 F HN 0.457 nan 8.300 nan 0.000 0.453 34 D N 5.251 125.753 120.400 0.171 0.000 2.412 34 D HA 0.033 4.673 4.640 0.000 0.000 0.257 34 D C -1.523 174.774 176.300 -0.005 0.000 1.217 34 D CA -1.293 52.740 54.000 0.056 0.000 0.897 34 D CB 1.361 42.172 40.800 0.018 0.000 1.132 34 D HN 0.204 nan 8.370 nan 0.000 0.493 35 P HA -0.049 nan 4.420 nan 0.000 0.230 35 P C 0.602 177.765 177.300 -0.228 0.000 1.158 35 P CA 0.509 63.537 63.100 -0.120 0.000 0.769 35 P CB 0.360 31.980 31.700 -0.134 0.000 0.807 36 A N -0.035 122.660 122.820 -0.207 0.000 2.014 36 A HA 0.043 4.363 4.320 0.000 0.000 0.210 36 A C 2.067 179.561 177.584 -0.150 0.000 1.188 36 A CA 1.736 53.679 52.037 -0.157 0.000 0.731 36 A CB -0.941 18.073 19.000 0.023 0.000 0.858 36 A HN 0.334 nan 8.150 nan 0.000 0.464 37 T N -6.286 108.100 114.554 -0.280 0.000 2.964 37 T HA 0.429 4.779 4.350 0.000 0.000 0.249 37 T C 1.451 175.857 174.700 -0.489 0.000 1.000 37 T CA 1.198 63.111 62.100 -0.311 0.000 0.992 37 T CB 0.406 69.242 68.868 -0.055 0.000 1.087 37 T HN 1.659 nan 8.240 nan 0.000 0.489 38 G N 1.484 110.082 108.800 -0.337 0.000 2.175 38 G HA2 -0.207 3.753 3.960 0.000 0.000 0.244 38 G HA3 -0.207 3.753 3.960 0.000 0.000 0.244 38 G C -0.252 174.726 174.900 0.131 0.000 0.982 38 G CA 0.026 45.066 45.100 -0.099 0.000 0.641 38 G HN 0.677 nan 8.290 nan 0.000 0.527 39 E N 1.033 121.303 120.200 0.116 0.000 2.360 39 E HA 0.414 4.764 4.350 0.000 0.000 0.269 39 E C 0.501 177.234 176.600 0.223 0.000 1.022 39 E CA 0.264 56.761 56.400 0.161 0.000 0.887 39 E CB 1.079 30.820 29.700 0.070 0.000 0.990 39 E HN 0.187 nan 8.360 nan 0.000 0.426 40 S N 2.106 117.930 115.700 0.207 0.000 2.498 40 S HA 0.089 4.560 4.470 0.000 0.000 0.281 40 S C 0.459 175.004 174.600 -0.091 0.000 1.265 40 S CA -0.475 57.697 58.200 -0.047 0.000 1.071 40 S CB 0.042 63.238 63.200 -0.007 0.000 0.894 40 S HN 0.511 nan 8.310 nan 0.000 0.491 41 L N 3.976 125.114 121.223 -0.141 0.000 2.728 41 L HA 0.644 4.984 4.340 0.000 0.000 0.235 41 L C 1.358 178.204 176.870 -0.039 0.000 1.197 41 L CA 0.366 55.146 54.840 -0.100 0.000 0.992 41 L CB -1.756 40.238 42.059 -0.108 0.000 1.263 41 L HN 1.364 nan 8.230 nan 0.000 0.484 42 G N -0.701 108.061 108.800 -0.065 0.000 2.660 42 G HA2 0.156 4.116 3.960 0.000 0.000 0.215 42 G HA3 0.156 4.116 3.960 0.000 0.000 0.215 42 G C 0.095 175.013 174.900 0.030 0.000 1.345 42 G CA 0.331 45.395 45.100 -0.060 0.000 0.877 42 G HN 2.068 nan 8.290 nan 0.000 0.549 43 T N -2.717 111.859 114.554 0.037 0.000 2.930 43 T HA 0.917 5.267 4.350 0.000 0.000 0.290 43 T C 0.137 174.863 174.700 0.044 0.000 1.052 43 T CA 0.158 62.253 62.100 -0.008 0.000 1.017 43 T CB 1.777 70.593 68.868 -0.087 0.000 1.137 43 T HN 2.248 nan 8.240 nan 0.000 0.511 44 V N -2.303 117.443 119.914 -0.279 0.000 3.001 44 V HA 0.787 4.907 4.120 0.000 0.000 0.314 44 V C -3.130 172.701 176.094 -0.438 0.000 1.099 44 V CA -3.281 58.795 62.300 -0.374 0.000 0.989 44 V CB 1.255 32.705 31.823 -0.622 0.000 1.040 44 V HN 0.741 nan 8.190 nan 0.000 0.434 45 P HA 0.170 nan 4.420 nan 0.000 0.267 45 P C -0.953 176.268 177.300 -0.133 0.000 1.200 45 P CA -0.012 63.006 63.100 -0.137 0.000 0.772 45 P CB 0.372 32.047 31.700 -0.041 0.000 0.855 46 K N 4.007 124.427 120.400 0.034 0.000 2.414 46 K HA 0.343 4.663 4.320 0.000 0.000 0.251 46 K C -0.537 176.137 176.600 0.123 0.000 1.037 46 K CA -0.218 56.198 56.287 0.215 0.000 0.980 46 K CB 0.026 32.724 32.500 0.330 0.000 1.280 46 K HN 0.459 nan 8.250 nan 0.000 0.451 47 M N 1.366 121.029 119.600 0.106 0.000 2.471 47 M HA 0.437 4.917 4.480 0.000 0.000 0.309 47 M C 0.762 177.095 176.300 0.056 0.000 1.186 47 M CA -0.719 54.618 55.300 0.062 0.000 1.008 47 M CB 1.703 34.328 32.600 0.041 0.000 1.551 47 M HN 0.625 nan 8.290 nan 0.000 0.477 48 G N -0.381 108.439 108.800 0.033 0.000 3.286 48 G HA2 0.601 4.561 3.960 0.000 0.000 0.166 48 G HA3 0.601 4.561 3.960 0.000 0.000 0.166 48 G C 0.523 175.430 174.900 0.010 0.000 1.155 48 G CA 0.158 45.272 45.100 0.022 0.000 0.871 48 G HN 0.734 nan 8.290 nan 0.000 0.637 49 A N -0.367 122.455 122.820 0.003 0.000 1.872 49 A HA 0.339 4.659 4.320 0.000 0.000 0.214 49 A C 2.711 180.291 177.584 -0.007 0.000 1.187 49 A CA 2.479 54.514 52.037 -0.004 0.000 0.614 49 A CB -1.086 17.911 19.000 -0.006 0.000 0.826 49 A HN 1.333 nan 8.150 nan 0.000 0.442 50 A N 0.228 123.045 122.820 -0.005 0.000 1.892 50 A HA -0.230 4.090 4.320 0.000 0.000 0.218 50 A C 1.856 179.431 177.584 -0.014 0.000 1.188 50 A CA 2.127 54.159 52.037 -0.008 0.000 0.631 50 A CB -0.580 18.417 19.000 -0.004 0.000 0.822 50 A HN 0.573 nan 8.150 nan 0.000 0.447 51 E N -0.906 119.287 120.200 -0.012 0.000 2.216 51 E HA -0.035 4.315 4.350 0.000 0.000 0.192 51 E C 1.975 178.555 176.600 -0.032 0.000 0.988 51 E CA 1.337 57.724 56.400 -0.022 0.000 0.834 51 E CB -0.366 29.327 29.700 -0.013 0.000 0.772 51 E HN 0.580 nan 8.360 nan 0.000 0.479 52 T N 0.499 115.040 114.554 -0.023 0.000 2.857 52 T HA -0.072 4.278 4.350 0.000 0.000 0.266 52 T C 2.007 176.686 174.700 -0.035 0.000 1.048 52 T CA 1.093 63.176 62.100 -0.028 0.000 1.139 52 T CB -0.253 68.605 68.868 -0.017 0.000 0.874 52 T HN 0.274 nan 8.240 nan 0.000 0.455 53 A N 1.905 124.707 122.820 -0.029 0.000 1.933 53 A HA -0.105 4.215 4.320 0.000 0.000 0.218 53 A C 2.389 179.951 177.584 -0.036 0.000 1.175 53 A CA 1.169 53.189 52.037 -0.029 0.000 0.628 53 A CB -0.410 18.578 19.000 -0.021 0.000 0.814 53 A HN 0.361 nan 8.150 nan 0.000 0.444 54 R N -0.710 119.766 120.500 -0.041 0.000 2.090 54 R HA -0.015 4.325 4.340 0.000 0.000 0.228 54 R C 2.476 178.732 176.300 -0.074 0.000 1.110 54 R CA 1.082 57.151 56.100 -0.052 0.000 0.973 54 R CB -0.430 29.839 30.300 -0.052 0.000 0.869 54 R HN 0.509 nan 8.270 nan 0.000 0.440 55 A N 1.330 124.101 122.820 -0.082 0.000 1.933 55 A HA -0.117 4.203 4.320 0.000 0.000 0.218 55 A C 2.130 179.656 177.584 -0.096 0.000 1.175 55 A CA 1.127 53.099 52.037 -0.109 0.000 0.628 55 A CB -0.391 18.547 19.000 -0.103 0.000 0.814 55 A HN 0.156 nan 8.150 nan 0.000 0.444 56 I N -0.785 119.743 120.570 -0.071 0.000 2.252 56 I HA -0.220 3.950 4.170 0.000 0.000 0.245 56 I C 2.470 178.555 176.117 -0.053 0.000 1.102 56 I CA 1.490 62.752 61.300 -0.064 0.000 1.385 56 I CB -0.390 37.580 38.000 -0.050 0.000 1.064 56 I HN 0.373 nan 8.210 nan 0.000 0.414 57 E N 0.966 121.139 120.200 -0.044 0.000 2.072 57 E HA -0.182 4.168 4.350 0.000 0.000 0.191 57 E C 2.343 178.924 176.600 -0.031 0.000 0.985 57 E CA 1.267 57.650 56.400 -0.029 0.000 0.801 57 E CB -0.169 29.517 29.700 -0.024 0.000 0.750 57 E HN 0.489 nan 8.360 nan 0.000 0.452 58 A N 1.276 124.061 122.820 -0.058 0.000 1.933 58 A HA -0.135 4.185 4.320 0.000 0.000 0.218 58 A C 2.341 179.888 177.584 -0.062 0.000 1.175 58 A CA 1.646 53.640 52.037 -0.071 0.000 0.628 58 A CB -0.668 18.261 19.000 -0.119 0.000 0.814 58 A HN 0.305 nan 8.150 nan 0.000 0.444 59 A N -0.542 122.233 122.820 -0.075 0.000 1.851 59 A HA -0.257 4.063 4.320 0.000 0.000 0.216 59 A C 2.199 179.787 177.584 0.007 0.000 1.195 59 A CA 2.058 54.053 52.037 -0.069 0.000 0.622 59 A CB -0.798 18.140 19.000 -0.105 0.000 0.831 59 A HN 0.636 nan 8.150 nan 0.000 0.444 60 Q N -0.467 119.344 119.800 0.019 0.000 2.112 60 Q HA -0.188 4.152 4.340 0.000 0.000 0.206 60 Q C 2.026 178.120 176.000 0.157 0.000 0.987 60 Q CA 2.381 58.248 55.803 0.108 0.000 0.858 60 Q CB -0.434 28.350 28.738 0.075 0.000 0.905 60 Q HN 0.606 nan 8.270 nan 0.000 0.420 61 A N -0.130 122.740 122.820 0.083 0.000 2.015 61 A HA 0.043 4.363 4.320 0.000 0.000 0.219 61 A C 2.061 179.698 177.584 0.088 0.000 1.163 61 A CA 1.423 53.502 52.037 0.070 0.000 0.646 61 A CB -0.584 18.432 19.000 0.027 0.000 0.806 61 A HN 0.538 nan 8.150 nan 0.000 0.448 62 A N -2.484 120.395 122.820 0.099 0.000 2.238 62 A HA 0.188 4.508 4.320 0.000 0.000 0.210 62 A C 1.594 179.327 177.584 0.248 0.000 1.179 62 A CA 0.573 52.680 52.037 0.116 0.000 0.827 62 A CB -0.559 18.461 19.000 0.032 0.000 0.856 62 A HN 0.723 nan 8.150 nan 0.000 0.488 63 W N 1.366 122.699 121.300 0.056 0.000 2.354 63 W HA -0.179 4.481 4.660 0.000 0.000 0.315 63 W C 2.286 178.881 176.519 0.128 0.000 1.206 63 W CA 1.736 59.144 57.345 0.106 0.000 1.290 63 W CB -0.788 28.716 29.460 0.073 0.000 1.152 63 W HN 0.343 nan 8.180 nan 0.000 0.489 64 A N 0.708 123.532 122.820 0.007 0.000 1.892 64 A HA -0.139 4.181 4.320 0.000 0.000 0.218 64 A C 2.324 179.872 177.584 -0.060 0.000 1.188 64 A CA 2.712 54.643 52.037 -0.176 0.000 0.631 64 A CB -1.656 17.273 19.000 -0.118 0.000 0.822 64 A HN 0.429 nan 8.150 nan 0.000 0.447 65 G N -1.826 107.007 108.800 0.054 0.000 2.418 65 G HA2 -0.288 3.672 3.960 0.000 0.000 0.217 65 G HA3 -0.288 3.672 3.960 0.000 0.000 0.217 65 G C 1.556 176.545 174.900 0.149 0.000 1.158 65 G CA 0.900 46.051 45.100 0.085 0.000 0.771 65 G HN 0.703 nan 8.290 nan 0.000 0.545 66 W N 2.560 123.884 121.300 0.041 0.000 2.381 66 W HA -0.117 4.543 4.660 0.000 0.000 0.301 66 W C 2.732 179.290 176.519 0.066 0.000 1.205 66 W CA 1.396 58.785 57.345 0.073 0.000 1.285 66 W CB 0.071 29.612 29.460 0.134 0.000 1.133 66 W HN 0.343 nan 8.180 nan 0.000 0.521 67 R N 0.178 120.708 120.500 0.050 0.000 2.189 67 R HA -0.120 4.220 4.340 0.000 0.000 0.218 67 R C 2.213 178.420 176.300 -0.155 0.000 1.074 67 R CA 1.382 57.429 56.100 -0.088 0.000 0.991 67 R CB -1.068 29.157 30.300 -0.126 0.000 0.883 67 R HN 0.190 nan 8.270 nan 0.000 0.457 68 M N 1.221 120.740 119.600 -0.135 0.000 2.319 68 M HA 0.026 4.506 4.480 0.000 0.000 0.265 68 M C -0.025 176.199 176.300 -0.127 0.000 1.068 68 M CA 1.115 56.344 55.300 -0.118 0.000 1.118 68 M CB 0.198 32.747 32.600 -0.086 0.000 1.395 68 M HN 0.056 nan 8.290 nan 0.000 0.435 69 K N 1.648 121.944 120.400 -0.174 0.000 2.380 69 K HA 0.009 4.329 4.320 0.000 0.000 0.267 69 K C 0.429 176.904 176.600 -0.207 0.000 0.990 69 K CA 0.254 56.416 56.287 -0.208 0.000 0.946 69 K CB 0.372 32.668 32.500 -0.340 0.000 0.937 69 K HN 0.295 nan 8.250 nan 0.000 0.491 70 T N -1.189 113.270 114.554 -0.159 0.000 2.868 70 T HA 0.211 4.561 4.350 0.000 0.000 0.292 70 T C 1.357 175.962 174.700 -0.159 0.000 1.028 70 T CA -0.337 61.684 62.100 -0.131 0.000 1.059 70 T CB 1.432 70.246 68.868 -0.090 0.000 0.991 70 T HN 0.561 nan 8.240 nan 0.000 0.531 71 A N 1.096 123.844 122.820 -0.120 0.000 1.940 71 A HA -0.105 4.215 4.320 0.000 0.000 0.219 71 A C 2.371 179.901 177.584 -0.090 0.000 1.176 71 A CA 1.779 53.752 52.037 -0.105 0.000 0.631 71 A CB -0.879 18.082 19.000 -0.066 0.000 0.814 71 A HN 0.936 nan 8.150 nan 0.000 0.446 72 K N -0.483 119.872 120.400 -0.076 0.000 2.097 72 K HA -0.167 4.153 4.320 0.000 0.000 0.206 72 K C 1.962 178.529 176.600 -0.055 0.000 1.049 72 K CA 1.589 57.842 56.287 -0.057 0.000 0.933 72 K CB -0.145 32.327 32.500 -0.048 0.000 0.717 72 K HN 0.667 nan 8.250 nan 0.000 0.442 73 E N 0.008 120.159 120.200 -0.081 0.000 2.051 73 E HA -0.170 4.180 4.350 0.000 0.000 0.192 73 E C 2.084 178.630 176.600 -0.090 0.000 0.991 73 E CA 1.113 57.465 56.400 -0.081 0.000 0.799 73 E CB 0.068 29.704 29.700 -0.107 0.000 0.748 73 E HN 0.243 nan 8.360 nan 0.000 0.449 74 R N 0.297 120.682 120.500 -0.192 0.000 2.120 74 R HA -0.069 4.271 4.340 0.000 0.000 0.234 74 R C 2.296 178.623 176.300 0.044 0.000 1.123 74 R CA 0.909 56.894 56.100 -0.191 0.000 0.975 74 R CB -0.228 29.819 30.300 -0.422 0.000 0.866 74 R HN 0.098 nan 8.270 nan 0.000 0.446 75 A N 1.579 124.407 122.820 0.014 0.000 1.898 75 A HA -0.068 4.252 4.320 0.000 0.000 0.216 75 A C 2.431 180.062 177.584 0.078 0.000 1.181 75 A CA 1.504 53.570 52.037 0.048 0.000 0.620 75 A CB -0.581 18.417 19.000 -0.002 0.000 0.819 75 A HN 0.359 nan 8.150 nan 0.000 0.442 76 A N 0.057 122.912 122.820 0.059 0.000 1.908 76 A HA -0.140 4.180 4.320 0.000 0.000 0.218 76 A C 2.126 179.787 177.584 0.129 0.000 1.181 76 A CA 1.674 53.758 52.037 0.077 0.000 0.627 76 A CB -0.638 18.393 19.000 0.051 0.000 0.818 76 A HN 0.511 nan 8.150 nan 0.000 0.445 77 I N -0.664 120.000 120.570 0.158 0.000 2.315 77 I HA -0.220 3.950 4.170 0.000 0.000 0.248 77 I C 2.256 178.548 176.117 0.292 0.000 1.117 77 I CA 1.024 62.457 61.300 0.222 0.000 1.404 77 I CB -0.255 37.921 38.000 0.292 0.000 1.071 77 I HN 0.281 nan 8.210 nan 0.000 0.419 78 L N 0.074 121.487 121.223 0.317 0.000 2.156 78 L HA -0.118 4.222 4.340 0.000 0.000 0.208 78 L C 2.684 179.761 176.870 0.345 0.000 1.095 78 L CA 0.838 55.920 54.840 0.402 0.000 0.770 78 L CB -0.451 41.825 42.059 0.361 0.000 0.914 78 L HN 0.175 nan 8.230 nan 0.000 0.439 79 R N 0.318 120.961 120.500 0.239 0.000 2.075 79 R HA -0.116 4.224 4.340 0.000 0.000 0.232 79 R C 2.477 178.964 176.300 0.313 0.000 1.126 79 R CA 1.231 57.468 56.100 0.229 0.000 0.963 79 R CB -0.028 30.352 30.300 0.133 0.000 0.858 79 R HN 0.194 nan 8.270 nan 0.000 0.435 80 R N -0.704 119.947 120.500 0.252 0.000 2.081 80 R HA -0.197 4.143 4.340 0.000 0.000 0.235 80 R C 1.988 178.455 176.300 0.278 0.000 1.131 80 R CA 1.591 57.822 56.100 0.219 0.000 0.960 80 R CB -0.532 29.867 30.300 0.165 0.000 0.856 80 R HN 0.372 nan 8.270 nan 0.000 0.436 81 W N 1.352 122.727 121.300 0.124 0.000 2.335 81 W HA -0.262 4.398 4.660 0.000 0.000 0.311 81 W C 1.880 178.481 176.519 0.137 0.000 1.213 81 W CA 1.121 58.529 57.345 0.105 0.000 1.274 81 W CB -0.947 28.580 29.460 0.112 0.000 1.148 81 W HN 0.028 nan 8.180 nan 0.000 0.498 82 F N 2.146 122.100 119.950 0.006 0.000 2.065 82 F HA -0.293 4.234 4.527 0.000 0.000 0.298 82 F C 2.116 177.890 175.800 -0.044 0.000 1.112 82 F CA 2.756 60.683 58.000 -0.120 0.000 1.212 82 F CB -0.843 38.126 39.000 -0.052 0.000 0.975 82 F HN -0.211 nan 8.300 nan 0.000 0.476 83 D N 0.710 121.048 120.400 -0.103 0.000 2.123 83 D HA -0.187 4.453 4.640 0.000 0.000 0.196 83 D C 2.491 178.698 176.300 -0.155 0.000 0.992 83 D CA 1.627 55.507 54.000 -0.201 0.000 0.833 83 D CB -0.606 40.201 40.800 0.010 0.000 0.954 83 D HN 0.371 nan 8.370 nan 0.000 0.455 84 L N 0.396 121.600 121.223 -0.032 0.000 2.093 84 L HA -0.136 4.204 4.340 0.000 0.000 0.208 84 L C 2.553 179.404 176.870 -0.031 0.000 1.085 84 L CA 0.498 55.341 54.840 0.004 0.000 0.755 84 L CB -0.196 41.918 42.059 0.092 0.000 0.904 84 L HN -0.069 nan 8.230 nan 0.000 0.435 85 V N -0.024 119.838 119.914 -0.086 0.000 2.295 85 V HA -0.302 3.818 4.120 0.000 0.000 0.246 85 V C 2.417 178.418 176.094 -0.155 0.000 1.049 85 V CA 1.482 63.713 62.300 -0.116 0.000 1.024 85 V CB -0.380 31.313 31.823 -0.216 0.000 0.648 85 V HN 0.271 nan 8.190 nan 0.000 0.447 86 I N 0.773 121.167 120.570 -0.293 0.000 2.127 86 I HA -0.267 3.903 4.170 0.000 0.000 0.241 86 I C 2.773 178.804 176.117 -0.144 0.000 1.075 86 I CA 2.160 63.298 61.300 -0.271 0.000 1.334 86 I CB -1.670 36.066 38.000 -0.441 0.000 1.040 86 I HN 0.334 nan 8.210 nan 0.000 0.405 87 A N 0.936 123.683 122.820 -0.121 0.000 1.940 87 A HA -0.190 4.130 4.320 0.000 0.000 0.219 87 A C 1.841 179.405 177.584 -0.034 0.000 1.176 87 A CA 1.711 53.710 52.037 -0.063 0.000 0.631 87 A CB -0.703 18.270 19.000 -0.045 0.000 0.814 87 A HN 0.548 nan 8.150 nan 0.000 0.446 88 N N -0.297 118.388 118.700 -0.024 0.000 2.276 88 N HA 0.021 4.761 4.740 0.000 0.000 0.212 88 N C 1.296 176.809 175.510 0.004 0.000 1.127 88 N CA 0.644 53.696 53.050 0.003 0.000 0.834 88 N CB 0.395 38.901 38.487 0.031 0.000 1.014 88 N HN 0.476 nan 8.380 nan 0.000 0.491 89 S N 1.777 117.469 115.700 -0.014 0.000 2.374 89 S HA -0.186 4.284 4.470 0.000 0.000 0.227 89 S C 1.363 175.970 174.600 0.011 0.000 1.037 89 S CA 1.460 59.657 58.200 -0.005 0.000 1.024 89 S CB 0.032 63.220 63.200 -0.020 0.000 0.861 89 S HN 0.213 nan 8.310 nan 0.000 0.456 90 D N 1.089 121.493 120.400 0.007 0.000 2.092 90 D HA -0.083 4.557 4.640 0.000 0.000 0.193 90 D C 1.746 178.053 176.300 0.013 0.000 0.994 90 D CA 1.406 55.412 54.000 0.010 0.000 0.828 90 D CB -0.724 40.080 40.800 0.005 0.000 0.963 90 D HN 0.419 nan 8.370 nan 0.000 0.450 91 D N 0.014 120.421 120.400 0.012 0.000 2.117 91 D HA -0.067 4.573 4.640 0.000 0.000 0.197 91 D C 2.357 178.668 176.300 0.018 0.000 0.987 91 D CA 0.347 54.353 54.000 0.010 0.000 0.829 91 D CB -0.279 40.528 40.800 0.012 0.000 0.961 91 D HN 0.199 nan 8.370 nan 0.000 0.460 92 L N 0.477 121.721 121.223 0.034 0.000 2.046 92 L HA -0.147 4.193 4.340 0.000 0.000 0.208 92 L C 2.501 179.401 176.870 0.050 0.000 1.077 92 L CA 1.178 56.049 54.840 0.052 0.000 0.747 92 L CB -0.449 41.648 42.059 0.064 0.000 0.896 92 L HN -0.028 nan 8.230 nan 0.000 0.432 93 A N -0.154 122.691 122.820 0.041 0.000 1.933 93 A HA -0.208 4.112 4.320 0.000 0.000 0.218 93 A C 2.213 179.817 177.584 0.032 0.000 1.175 93 A CA 1.607 53.669 52.037 0.042 0.000 0.628 93 A CB -0.595 18.427 19.000 0.037 0.000 0.814 93 A HN 0.308 nan 8.150 nan 0.000 0.444 94 L N -0.056 121.179 121.223 0.019 0.000 2.056 94 L HA -0.033 4.307 4.340 0.000 0.000 0.207 94 L C 2.224 179.093 176.870 -0.001 0.000 1.078 94 L CA 1.517 56.361 54.840 0.006 0.000 0.749 94 L CB -0.547 41.509 42.059 -0.005 0.000 0.901 94 L HN 0.434 nan 8.230 nan 0.000 0.433 95 I N -1.032 119.536 120.570 -0.003 0.000 2.151 95 I HA -0.354 3.816 4.170 0.000 0.000 0.243 95 I C 2.450 178.591 176.117 0.040 0.000 1.080 95 I CA 1.566 62.862 61.300 -0.006 0.000 1.339 95 I CB -0.333 37.674 38.000 0.012 0.000 1.039 95 I HN 0.268 nan 8.210 nan 0.000 0.409 96 L N -0.199 121.058 121.223 0.057 0.000 2.141 96 L HA -0.179 4.161 4.340 0.000 0.000 0.209 96 L C 2.495 179.396 176.870 0.052 0.000 1.094 96 L CA 1.398 56.281 54.840 0.071 0.000 0.763 96 L CB -0.232 41.871 42.059 0.074 0.000 0.908 96 L HN 0.221 nan 8.230 nan 0.000 0.437 97 T N -1.418 113.157 114.554 0.036 0.000 2.770 97 T HA -0.139 4.211 4.350 0.000 0.000 0.263 97 T C 1.730 176.444 174.700 0.024 0.000 1.039 97 T CA 1.771 63.888 62.100 0.028 0.000 1.142 97 T CB -0.184 68.700 68.868 0.027 0.000 0.868 97 T HN 0.384 nan 8.240 nan 0.000 0.435 98 T N 2.457 117.020 114.554 0.016 0.000 2.720 98 T HA -0.166 4.184 4.350 0.000 0.000 0.268 98 T C 1.989 176.704 174.700 0.026 0.000 1.037 98 T CA 1.743 63.846 62.100 0.005 0.000 1.144 98 T CB -0.309 68.541 68.868 -0.030 0.000 0.864 98 T HN 0.752 nan 8.240 nan 0.000 0.444 99 E N 0.089 120.325 120.200 0.060 0.000 2.250 99 E HA -0.002 4.348 4.350 0.000 0.000 0.192 99 E C 2.280 178.939 176.600 0.098 0.000 0.986 99 E CA 0.400 56.873 56.400 0.121 0.000 0.849 99 E CB -0.048 29.799 29.700 0.245 0.000 0.797 99 E HN 0.284 nan 8.360 nan 0.000 0.482 100 Q N -0.014 119.832 119.800 0.077 0.000 2.442 100 Q HA 0.099 4.439 4.340 0.000 0.000 0.228 100 Q C 1.256 177.273 176.000 0.028 0.000 0.902 100 Q CA 1.454 57.303 55.803 0.076 0.000 0.933 100 Q CB 1.169 29.961 28.738 0.090 0.000 1.071 100 Q HN 0.465 nan 8.270 nan 0.000 0.562 101 G N 1.613 110.416 108.800 0.005 0.000 2.352 101 G HA2 -0.241 3.719 3.960 0.000 0.000 0.204 101 G HA3 -0.241 3.719 3.960 0.000 0.000 0.204 101 G C -0.034 174.860 174.900 -0.010 0.000 1.004 101 G CA 0.089 45.169 45.100 -0.034 0.000 0.648 101 G HN 0.390 nan 8.290 nan 0.000 0.491 102 K N 2.101 122.500 120.400 -0.001 0.000 2.436 102 K HA 0.444 4.764 4.320 0.000 0.000 0.275 102 K C -2.372 174.242 176.600 0.023 0.000 0.999 102 K CA -0.915 55.374 56.287 0.003 0.000 0.980 102 K CB 0.576 33.054 32.500 -0.036 0.000 0.919 102 K HN 0.153 nan 8.250 nan 0.000 0.484 103 P HA -0.118 nan 4.420 nan 0.000 0.265 103 P C 0.822 178.144 177.300 0.036 0.000 1.187 103 P CA 0.160 63.285 63.100 0.043 0.000 0.766 103 P CB 0.490 32.216 31.700 0.044 0.000 0.820 104 L N 1.977 123.221 121.223 0.035 0.000 2.197 104 L HA -0.293 4.047 4.340 0.000 0.000 0.215 104 L C 2.296 179.187 176.870 0.034 0.000 1.095 104 L CA 1.929 56.788 54.840 0.032 0.000 0.764 104 L CB -0.589 41.486 42.059 0.027 0.000 0.897 104 L HN 0.434 nan 8.230 nan 0.000 0.436 105 A N -0.643 122.197 122.820 0.034 0.000 1.897 105 A HA -0.181 4.139 4.320 0.000 0.000 0.215 105 A C 2.130 179.742 177.584 0.045 0.000 1.181 105 A CA 1.228 53.287 52.037 0.036 0.000 0.620 105 A CB -0.279 18.740 19.000 0.032 0.000 0.821 105 A HN 0.416 nan 8.150 nan 0.000 0.443 106 E N -0.195 120.032 120.200 0.045 0.000 2.072 106 E HA -0.093 4.257 4.350 0.000 0.000 0.191 106 E C 2.365 179.006 176.600 0.069 0.000 0.985 106 E CA 0.838 57.271 56.400 0.054 0.000 0.801 106 E CB -0.262 29.460 29.700 0.036 0.000 0.750 106 E HN 0.590 nan 8.360 nan 0.000 0.452 107 A N 1.797 124.650 122.820 0.054 0.000 1.865 107 A HA -0.258 4.063 4.320 0.000 0.000 0.217 107 A C 2.000 179.635 177.584 0.085 0.000 1.191 107 A CA 1.725 53.803 52.037 0.068 0.000 0.623 107 A CB -0.393 18.637 19.000 0.051 0.000 0.826 107 A HN 0.049 nan 8.150 nan 0.000 0.444 108 K N -0.908 119.532 120.400 0.066 0.000 2.063 108 K HA -0.131 4.189 4.320 0.000 0.000 0.208 108 K C 2.083 178.731 176.600 0.080 0.000 1.048 108 K CA 1.219 57.543 56.287 0.062 0.000 0.928 108 K CB -0.501 32.026 32.500 0.044 0.000 0.713 108 K HN 0.498 nan 8.250 nan 0.000 0.442 109 G N 0.911 109.763 108.800 0.087 0.000 2.422 109 G HA2 -0.301 3.659 3.960 0.000 0.000 0.218 109 G HA3 -0.301 3.659 3.960 0.000 0.000 0.218 109 G C 1.343 176.341 174.900 0.164 0.000 1.146 109 G CA 0.776 45.936 45.100 0.101 0.000 0.769 109 G HN 0.385 nan 8.290 nan 0.000 0.547 110 E N 0.005 120.327 120.200 0.203 0.000 2.072 110 E HA -0.097 4.253 4.350 0.000 0.000 0.191 110 E C 2.486 179.255 176.600 0.281 0.000 0.985 110 E CA 0.525 57.120 56.400 0.324 0.000 0.801 110 E CB -0.059 29.855 29.700 0.356 0.000 0.750 110 E HN 0.305 nan 8.360 nan 0.000 0.452 111 I N 1.364 122.040 120.570 0.177 0.000 2.226 111 I HA -0.219 3.951 4.170 0.000 0.000 0.245 111 I C 2.567 178.746 176.117 0.103 0.000 1.100 111 I CA 1.274 62.645 61.300 0.118 0.000 1.374 111 I CB -1.583 36.461 38.000 0.072 0.000 1.057 111 I HN 0.125 nan 8.210 nan 0.000 0.413 112 A N -0.009 122.882 122.820 0.118 0.000 1.930 112 A HA -0.267 4.053 4.320 0.000 0.000 0.217 112 A C 2.356 180.035 177.584 0.159 0.000 1.175 112 A CA 1.382 53.484 52.037 0.108 0.000 0.627 112 A CB -1.018 18.039 19.000 0.096 0.000 0.815 112 A HN 0.469 nan 8.150 nan 0.000 0.443 113 Y N 0.574 120.907 120.300 0.055 0.000 2.263 113 Y HA 0.032 4.582 4.550 0.000 0.000 0.292 113 Y C 2.565 178.544 175.900 0.131 0.000 1.130 113 Y CA 0.902 59.026 58.100 0.041 0.000 1.179 113 Y CB -0.566 37.928 38.460 0.056 0.000 0.998 113 Y HN 0.293 nan 8.280 nan 0.000 0.532 114 A N 0.681 123.572 122.820 0.118 0.000 1.873 114 A HA -0.076 4.244 4.320 0.000 0.000 0.215 114 A C 2.444 180.051 177.584 0.039 0.000 1.186 114 A CA 1.900 53.973 52.037 0.060 0.000 0.616 114 A CB -1.536 17.504 19.000 0.066 0.000 0.823 114 A HN 0.580 nan 8.150 nan 0.000 0.442 115 A N 0.294 123.140 122.820 0.043 0.000 1.978 115 A HA -0.117 4.203 4.320 0.000 0.000 0.220 115 A C 2.501 180.240 177.584 0.258 0.000 1.170 115 A CA 2.392 54.502 52.037 0.122 0.000 0.636 115 A CB -0.954 18.078 19.000 0.053 0.000 0.810 115 A HN 1.033 nan 8.150 nan 0.000 0.448 116 S N -0.949 114.814 115.700 0.106 0.000 2.368 116 S HA -0.154 4.317 4.470 0.000 0.000 0.225 116 S C 1.744 176.254 174.600 -0.150 0.000 1.030 116 S CA 1.465 59.641 58.200 -0.041 0.000 0.999 116 S CB -0.783 62.324 63.200 -0.155 0.000 0.844 116 S HN 0.371 nan 8.310 nan 0.000 0.459 117 F N 1.785 121.659 119.950 -0.127 0.000 2.171 117 F HA 0.134 4.661 4.527 0.000 0.000 0.300 117 F C 2.228 178.092 175.800 0.106 0.000 1.090 117 F CA 0.906 58.876 58.000 -0.049 0.000 1.293 117 F CB -0.492 38.460 39.000 -0.080 0.000 1.013 117 F HN 0.199 nan 8.300 nan 0.000 0.486 118 I N -0.331 120.347 120.570 0.181 0.000 2.226 118 I HA -0.279 3.891 4.170 0.000 0.000 0.245 118 I C 2.531 178.678 176.117 0.050 0.000 1.100 118 I CA 1.592 62.940 61.300 0.080 0.000 1.374 118 I CB -0.470 37.414 38.000 -0.193 0.000 1.057 118 I HN 0.189 nan 8.210 nan 0.000 0.413 119 E N 0.827 120.933 120.200 -0.157 0.000 2.047 119 E HA -0.270 4.080 4.350 0.000 0.000 0.191 119 E C 2.206 178.689 176.600 -0.194 0.000 0.987 119 E CA 1.326 57.458 56.400 -0.447 0.000 0.799 119 E CB -0.286 28.822 29.700 -0.986 0.000 0.752 119 E HN 0.578 nan 8.360 nan 0.000 0.449 120 W N 0.488 121.603 121.300 -0.309 0.000 2.317 120 W HA -0.271 4.389 4.660 0.000 0.000 0.318 120 W C 1.563 177.899 176.519 -0.306 0.000 1.227 120 W CA 1.359 58.485 57.345 -0.364 0.000 1.269 120 W CB -0.500 28.637 29.460 -0.540 0.000 1.155 120 W HN 0.139 nan 8.180 nan 0.000 0.484 121 F N 0.795 120.823 119.950 0.131 0.000 2.367 121 F HA 0.003 4.530 4.527 0.000 0.000 0.298 121 F C 2.701 178.492 175.800 -0.014 0.000 1.094 121 F CA 1.561 59.600 58.000 0.066 0.000 1.409 121 F CB -1.403 37.691 39.000 0.157 0.000 1.064 121 F HN -0.105 nan 8.300 nan 0.000 0.528 122 A N 0.239 123.143 122.820 0.140 0.000 1.917 122 A HA -0.257 4.064 4.320 0.000 0.000 0.219 122 A C 2.126 179.681 177.584 -0.050 0.000 1.182 122 A CA 2.210 54.282 52.037 0.058 0.000 0.633 122 A CB -0.751 18.261 19.000 0.020 0.000 0.819 122 A HN 0.455 nan 8.150 nan 0.000 0.448 123 E N -0.879 119.214 120.200 -0.179 0.000 2.112 123 E HA -0.103 4.247 4.350 0.000 0.000 0.190 123 E C 1.951 178.377 176.600 -0.289 0.000 0.979 123 E CA 0.736 56.973 56.400 -0.272 0.000 0.814 123 E CB -0.095 29.356 29.700 -0.416 0.000 0.762 123 E HN 0.502 nan 8.360 nan 0.000 0.460 124 E N 0.370 120.366 120.200 -0.339 0.000 2.204 124 E HA -0.102 4.248 4.350 0.000 0.000 0.194 124 E C 2.119 178.700 176.600 -0.032 0.000 0.989 124 E CA 0.820 57.091 56.400 -0.216 0.000 0.824 124 E CB -0.198 29.424 29.700 -0.129 0.000 0.756 124 E HN 0.337 nan 8.360 nan 0.000 0.477 125 G N 1.320 110.128 108.800 0.013 0.000 2.471 125 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 125 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 125 G C 1.408 176.301 174.900 -0.011 0.000 1.125 125 G CA 0.283 45.403 45.100 0.034 0.000 0.775 125 G HN 0.214 nan 8.290 nan 0.000 0.548 126 K N -0.281 120.090 120.400 -0.048 0.000 2.444 126 K HA 0.178 4.498 4.320 0.000 0.000 0.193 126 K C 1.640 178.205 176.600 -0.058 0.000 1.024 126 K CA 0.082 56.334 56.287 -0.058 0.000 1.077 126 K CB 0.381 32.835 32.500 -0.076 0.000 0.833 126 K HN 0.164 nan 8.250 nan 0.000 0.517 127 R N 0.193 120.661 120.500 -0.054 0.000 2.531 127 R HA 0.126 4.467 4.340 0.000 0.000 0.316 127 R C -0.241 176.048 176.300 -0.018 0.000 0.955 127 R CA -0.142 55.925 56.100 -0.055 0.000 1.120 127 R CB 1.035 31.277 30.300 -0.097 0.000 1.361 127 R HN -0.138 nan 8.270 nan 0.000 0.534 128 V N 2.477 122.399 119.914 0.014 0.000 2.479 128 V HA 0.049 4.169 4.120 0.000 0.000 0.284 128 V C 0.391 176.503 176.094 0.030 0.000 0.981 128 V CA 0.284 62.612 62.300 0.046 0.000 1.139 128 V CB -0.066 31.797 31.823 0.068 0.000 0.947 128 V HN 0.218 nan 8.190 nan 0.000 0.468 129 A N 4.701 127.538 122.820 0.027 0.000 2.355 129 A HA 0.917 5.237 4.320 0.000 0.000 0.324 129 A C 0.408 178.009 177.584 0.028 0.000 1.117 129 A CA 0.028 52.074 52.037 0.016 0.000 0.785 129 A CB 1.691 20.688 19.000 -0.006 0.000 1.254 129 A HN 0.855 nan 8.150 nan 0.000 0.453 130 G N -0.058 108.758 108.800 0.026 0.000 2.702 130 G HA2 0.608 4.568 3.960 0.000 0.000 0.254 130 G HA3 0.608 4.568 3.960 0.000 0.000 0.254 130 G C -1.110 173.803 174.900 0.023 0.000 1.380 130 G CA -0.482 44.638 45.100 0.033 0.000 1.042 130 G HN 0.691 nan 8.290 nan 0.000 0.557 131 D N -1.362 119.054 120.400 0.026 0.000 2.477 131 D HA 0.567 5.207 4.640 0.000 0.000 0.234 131 D C -0.548 175.766 176.300 0.022 0.000 1.048 131 D CA -0.435 53.576 54.000 0.017 0.000 0.959 131 D CB 1.960 42.767 40.800 0.012 0.000 1.408 131 D HN 0.504 nan 8.370 nan 0.000 0.496 132 T N -0.944 113.619 114.554 0.016 0.000 2.812 132 T HA 0.714 5.064 4.350 0.000 0.000 0.282 132 T C -0.622 174.085 174.700 0.012 0.000 0.990 132 T CA -0.836 61.276 62.100 0.019 0.000 0.960 132 T CB 0.329 69.207 68.868 0.017 0.000 0.948 132 T HN 0.235 nan 8.240 nan 0.000 0.438 133 L N 3.073 124.303 121.223 0.012 0.000 2.342 133 L HA 0.603 4.943 4.340 0.000 0.000 0.271 133 L C -2.426 174.447 176.870 0.004 0.000 1.008 133 L CA -2.736 52.104 54.840 0.001 0.000 0.818 133 L CB 1.810 43.859 42.059 -0.017 0.000 1.296 133 L HN 0.414 nan 8.230 nan 0.000 0.427 134 P HA 0.044 nan 4.420 nan 0.000 0.266 134 P C -0.228 177.074 177.300 0.003 0.000 1.215 134 P CA -0.083 63.019 63.100 0.003 0.000 0.763 134 P CB 0.631 32.331 31.700 -0.000 0.000 0.806 135 T N 4.094 118.656 114.554 0.012 0.000 2.918 135 T HA 0.209 4.559 4.350 0.000 0.000 0.302 135 T C -1.128 173.579 174.700 0.012 0.000 1.045 135 T CA -1.254 60.857 62.100 0.018 0.000 1.114 135 T CB -0.033 68.852 68.868 0.029 0.000 0.965 135 T HN 0.325 nan 8.240 nan 0.000 0.540 136 P HA 0.287 nan 4.420 nan 0.000 0.262 136 P C -0.525 176.784 177.300 0.015 0.000 1.304 136 P CA 0.157 63.263 63.100 0.010 0.000 0.859 136 P CB 0.354 32.057 31.700 0.006 0.000 1.310 137 D N -0.021 120.392 120.400 0.021 0.000 2.736 137 D HA 0.326 4.966 4.640 0.000 0.000 0.243 137 D C 0.675 176.988 176.300 0.021 0.000 1.304 137 D CA -0.499 53.514 54.000 0.022 0.000 0.934 137 D CB 2.305 43.121 40.800 0.028 0.000 1.382 137 D HN -0.156 nan 8.370 nan 0.000 0.571 138 A N 4.049 126.878 122.820 0.015 0.000 2.076 138 A HA -0.167 4.153 4.320 0.000 0.000 0.220 138 A C 1.370 178.962 177.584 0.014 0.000 1.160 138 A CA 0.988 53.032 52.037 0.013 0.000 0.653 138 A CB -0.204 18.802 19.000 0.009 0.000 0.801 138 A HN 0.673 nan 8.150 nan 0.000 0.455 139 N N -0.385 118.324 118.700 0.015 0.000 2.370 139 N HA 0.074 4.814 4.740 0.000 0.000 0.198 139 N C -0.394 175.127 175.510 0.017 0.000 1.156 139 N CA 0.426 53.483 53.050 0.013 0.000 0.839 139 N CB 0.344 38.838 38.487 0.011 0.000 0.989 139 N HN 0.476 nan 8.380 nan 0.000 0.468 140 K N 0.379 120.794 120.400 0.025 0.000 2.469 140 K HA 0.441 4.761 4.320 0.000 0.000 0.254 140 K C -0.609 176.017 176.600 0.042 0.000 0.939 140 K CA -0.718 55.590 56.287 0.035 0.000 0.812 140 K CB 2.187 34.716 32.500 0.050 0.000 1.301 140 K HN -0.206 nan 8.250 nan 0.000 0.433 141 R N 1.716 122.245 120.500 0.049 0.000 2.670 141 R HA 0.520 4.860 4.340 0.000 0.000 0.289 141 R C -0.671 175.685 176.300 0.094 0.000 0.965 141 R CA -0.728 55.405 56.100 0.055 0.000 0.899 141 R CB 1.202 31.524 30.300 0.037 0.000 1.173 141 R HN 0.589 nan 8.270 nan 0.000 0.456 142 I N 2.600 123.229 120.570 0.098 0.000 2.354 142 I HA 0.278 4.448 4.170 0.000 0.000 0.286 142 I C -0.319 175.867 176.117 0.116 0.000 1.007 142 I CA -0.837 60.555 61.300 0.154 0.000 1.167 142 I CB 1.652 39.710 38.000 0.096 0.000 1.320 142 I HN 0.062 nan 8.210 nan 0.000 0.458 143 V N 6.806 126.806 119.914 0.145 0.000 2.459 143 V HA 0.473 4.594 4.120 0.000 0.000 0.295 143 V C -0.052 176.128 176.094 0.145 0.000 1.029 143 V CA -0.801 61.562 62.300 0.103 0.000 0.874 143 V CB 1.921 33.783 31.823 0.066 0.000 0.985 143 V HN 0.355 nan 8.190 nan 0.000 0.438 144 V N 5.406 125.382 119.914 0.102 0.000 2.417 144 V HA 0.621 4.741 4.120 0.000 0.000 0.291 144 V C 0.002 176.140 176.094 0.073 0.000 1.024 144 V CA -0.491 61.872 62.300 0.105 0.000 0.861 144 V CB 1.785 33.650 31.823 0.071 0.000 0.985 144 V HN 0.817 nan 8.190 nan 0.000 0.436 145 V N 2.543 122.502 119.914 0.075 0.000 3.019 145 V HA 0.747 4.867 4.120 0.000 0.000 0.317 145 V C -0.539 175.595 176.094 0.067 0.000 1.094 145 V CA -1.037 61.297 62.300 0.058 0.000 1.000 145 V CB 2.033 33.882 31.823 0.044 0.000 1.060 145 V HN 0.778 nan 8.190 nan 0.000 0.443 146 K N 1.316 121.754 120.400 0.063 0.000 2.318 146 K HA 0.731 5.051 4.320 0.000 0.000 0.249 146 K C -1.010 175.638 176.600 0.081 0.000 0.942 146 K CA -0.588 55.746 56.287 0.077 0.000 0.808 146 K CB 2.255 34.804 32.500 0.081 0.000 1.189 146 K HN 1.037 nan 8.250 nan 0.000 0.428 147 E N 1.162 121.425 120.200 0.104 0.000 2.430 147 E HA 0.384 4.734 4.350 0.000 0.000 0.279 147 E C -3.003 173.708 176.600 0.186 0.000 1.003 147 E CA -2.405 54.070 56.400 0.124 0.000 0.801 147 E CB 1.765 31.525 29.700 0.101 0.000 1.313 147 E HN 0.160 nan 8.360 nan 0.000 0.459 148 P HA 0.043 nan 4.420 nan 0.000 0.268 148 P C 0.452 177.961 177.300 0.348 0.000 1.205 148 P CA -0.056 63.244 63.100 0.333 0.000 0.771 148 P CB 1.144 33.147 31.700 0.505 0.000 0.858 149 I N 1.316 121.990 120.570 0.173 0.000 2.315 149 I HA -0.048 4.122 4.170 0.000 0.000 0.248 149 I C 1.067 177.114 176.117 -0.116 0.000 1.117 149 I CA 2.062 63.403 61.300 0.068 0.000 1.404 149 I CB -0.340 37.661 38.000 0.001 0.000 1.071 149 I HN 0.734 nan 8.210 nan 0.000 0.419 150 G N -0.920 107.569 108.800 -0.518 0.000 2.278 150 G HA2 -0.076 3.884 3.960 0.000 0.000 0.265 150 G HA3 -0.076 3.884 3.960 0.000 0.000 0.265 150 G C -0.883 173.465 174.900 -0.920 0.000 1.329 150 G CA -0.343 43.929 45.100 -1.381 0.000 1.017 150 G HN -0.060 nan 8.290 nan 0.000 0.472 151 V N 0.598 120.084 119.914 -0.712 0.000 2.458 151 V HA 0.282 4.402 4.120 0.000 0.000 0.287 151 V C 0.895 176.849 176.094 -0.233 0.000 1.009 151 V CA 0.071 62.139 62.300 -0.387 0.000 1.091 151 V CB -0.228 31.449 31.823 -0.243 0.000 0.960 151 V HN 0.810 nan 8.190 nan 0.000 0.476 152 C N 4.935 124.137 119.300 -0.163 0.000 2.364 152 C HA 0.885 5.345 4.460 0.000 0.000 0.356 152 C C 0.698 175.661 174.990 -0.046 0.000 1.201 152 C CA -0.475 58.505 59.018 -0.063 0.000 2.227 152 C CB 0.874 28.643 27.740 0.049 0.000 2.387 152 C HN 1.026 nan 8.230 nan 0.000 0.546 153 A N 1.343 124.152 122.820 -0.019 0.000 2.413 153 A HA 0.967 5.287 4.320 0.000 0.000 0.307 153 A C -0.862 176.741 177.584 0.031 0.000 1.087 153 A CA -0.365 51.669 52.037 -0.005 0.000 0.750 153 A CB 1.227 20.219 19.000 -0.014 0.000 1.296 153 A HN 1.459 nan 8.150 nan 0.000 0.423 154 A N 0.922 123.766 122.820 0.039 0.000 2.455 154 A HA 0.749 5.069 4.320 0.000 0.000 0.300 154 A C -1.164 176.468 177.584 0.081 0.000 1.040 154 A CA -0.301 51.773 52.037 0.063 0.000 0.697 154 A CB 0.852 19.882 19.000 0.049 0.000 1.265 154 A HN 0.745 nan 8.150 nan 0.000 0.407 155 I N 2.300 122.949 120.570 0.131 0.000 2.418 155 I HA 0.485 4.655 4.170 0.000 0.000 0.287 155 I C 0.122 176.295 176.117 0.093 0.000 1.008 155 I CA -0.308 61.098 61.300 0.178 0.000 1.104 155 I CB 2.404 40.618 38.000 0.356 0.000 1.264 155 I HN 0.752 nan 8.210 nan 0.000 0.438 156 T N 3.939 118.523 114.554 0.050 0.000 2.863 156 T HA 0.690 5.040 4.350 0.000 0.000 0.285 156 T C -2.740 171.952 174.700 -0.013 0.000 1.009 156 T CA -2.042 60.043 62.100 -0.025 0.000 0.989 156 T CB 2.357 71.224 68.868 -0.003 0.000 1.004 156 T HN 0.196 nan 8.240 nan 0.000 0.455 157 P HA 0.321 nan 4.420 nan 0.000 0.306 157 P C 0.804 178.079 177.300 -0.042 0.000 1.309 157 P CA -0.795 62.248 63.100 -0.095 0.000 0.759 157 P CB 0.849 32.371 31.700 -0.296 0.000 1.314 158 W N 0.246 121.538 121.300 -0.013 0.000 2.704 158 W HA 0.038 4.698 4.660 0.000 0.000 0.266 158 W C 1.069 177.576 176.519 -0.020 0.000 1.266 158 W CA 0.554 57.893 57.345 -0.011 0.000 1.377 158 W CB -1.809 27.631 29.460 -0.033 0.000 1.082 158 W HN 0.257 nan 8.180 nan 0.000 0.608 159 N N 0.827 119.112 118.700 -0.692 0.000 2.381 159 N HA -0.155 4.585 4.740 0.000 0.000 0.182 159 N C -0.195 175.047 175.510 -0.448 0.000 1.025 159 N CA 0.787 53.455 53.050 -0.638 0.000 0.888 159 N CB -0.710 37.204 38.487 -0.956 0.000 0.965 159 N HN 0.043 nan 8.380 nan 0.000 0.438 160 F N 0.825 120.697 119.950 -0.129 0.000 2.646 160 F HA 0.375 4.902 4.527 0.000 0.000 0.336 160 F C -1.862 173.940 175.800 0.005 0.000 1.437 160 F CA -2.042 55.943 58.000 -0.025 0.000 1.142 160 F CB 1.730 40.719 39.000 -0.020 0.000 1.530 160 F HN -0.144 nan 8.300 nan 0.000 0.591 161 P HA -0.126 nan 4.420 nan 0.000 0.228 161 P C 1.005 178.389 177.300 0.140 0.000 1.151 161 P CA 1.198 64.379 63.100 0.134 0.000 0.770 161 P CB 0.475 32.257 31.700 0.138 0.000 0.786 162 A N -0.080 122.839 122.820 0.165 0.000 1.970 162 A HA 0.441 4.761 4.320 0.000 0.000 0.204 162 A C 2.356 180.013 177.584 0.120 0.000 1.325 162 A CA 0.820 52.947 52.037 0.149 0.000 0.767 162 A CB -1.066 18.025 19.000 0.152 0.000 0.949 162 A HN 0.124 nan 8.150 nan 0.000 0.481 163 A N -0.169 122.746 122.820 0.159 0.000 1.908 163 A HA -0.138 4.182 4.320 0.000 0.000 0.218 163 A C 2.142 179.650 177.584 -0.127 0.000 1.181 163 A CA 2.053 54.117 52.037 0.044 0.000 0.627 163 A CB -0.554 18.538 19.000 0.152 0.000 0.818 163 A HN 0.395 nan 8.150 nan 0.000 0.445 164 M N -0.174 119.389 119.600 -0.063 0.000 2.117 164 M HA -0.111 4.369 4.480 0.000 0.000 0.262 164 M C 2.055 178.299 176.300 -0.094 0.000 1.065 164 M CA 1.181 56.405 55.300 -0.126 0.000 1.114 164 M CB -1.259 31.304 32.600 -0.062 0.000 1.361 164 M HN 0.341 nan 8.290 nan 0.000 0.408 165 I N 0.429 120.997 120.570 -0.003 0.000 2.163 165 I HA -0.216 3.954 4.170 0.000 0.000 0.243 165 I C 2.655 178.810 176.117 0.063 0.000 1.085 165 I CA 1.659 62.996 61.300 0.061 0.000 1.347 165 I CB -1.968 36.117 38.000 0.142 0.000 1.044 165 I HN 0.175 nan 8.210 nan 0.000 0.408 166 A N 0.788 123.614 122.820 0.010 0.000 1.877 166 A HA -0.204 4.116 4.320 0.000 0.000 0.216 166 A C 2.482 179.984 177.584 -0.138 0.000 1.186 166 A CA 1.467 53.480 52.037 -0.041 0.000 0.620 166 A CB -0.703 18.246 19.000 -0.084 0.000 0.822 166 A HN 0.320 nan 8.150 nan 0.000 0.443 167 R N -0.857 119.413 120.500 -0.383 0.000 2.241 167 R HA -0.069 4.271 4.340 0.000 0.000 0.224 167 R C 1.599 177.698 176.300 -0.335 0.000 1.101 167 R CA 1.518 57.250 56.100 -0.613 0.000 0.995 167 R CB -0.053 29.750 30.300 -0.828 0.000 0.870 167 R HN 0.531 nan 8.270 nan 0.000 0.463 168 K N -1.446 118.833 120.400 -0.202 0.000 2.424 168 K HA 0.108 4.428 4.320 0.000 0.000 0.198 168 K C 1.690 178.204 176.600 -0.144 0.000 1.190 168 K CA 0.127 56.336 56.287 -0.131 0.000 0.935 168 K CB 0.683 33.161 32.500 -0.036 0.000 1.087 168 K HN -0.092 nan 8.250 nan 0.000 0.524 169 V N 1.237 121.125 119.914 -0.044 0.000 2.379 169 V HA -0.108 4.012 4.120 0.000 0.000 0.245 169 V C 2.271 178.367 176.094 0.003 0.000 1.044 169 V CA 2.193 64.503 62.300 0.016 0.000 1.036 169 V CB -0.777 31.147 31.823 0.169 0.000 0.664 169 V HN 0.444 nan 8.190 nan 0.000 0.453 170 G N 1.749 110.568 108.800 0.033 0.000 2.545 170 G HA2 -0.228 3.732 3.960 0.000 0.000 0.217 170 G HA3 -0.228 3.732 3.960 0.000 0.000 0.217 170 G C 0.101 174.840 174.900 -0.267 0.000 1.218 170 G CA 1.412 46.546 45.100 0.056 0.000 0.787 170 G HN 0.556 nan 8.290 nan 0.000 0.571 171 P HA 0.015 nan 4.420 nan 0.000 0.221 171 P C 1.907 178.678 177.300 -0.882 0.000 1.150 171 P CA 1.838 64.207 63.100 -1.218 0.000 0.800 171 P CB -0.079 30.612 31.700 -1.681 0.000 0.787 172 A N -0.132 122.176 122.820 -0.854 0.000 1.872 172 A HA -0.105 4.215 4.320 0.000 0.000 0.214 172 A C 2.220 179.772 177.584 -0.054 0.000 1.187 172 A CA 1.273 53.033 52.037 -0.460 0.000 0.614 172 A CB -1.541 17.326 19.000 -0.223 0.000 0.826 172 A HN 0.083 nan 8.150 nan 0.000 0.442 173 L N -0.377 120.863 121.223 0.028 0.000 2.093 173 L HA -0.056 4.284 4.340 0.000 0.000 0.208 173 L C 2.929 180.089 176.870 0.483 0.000 1.085 173 L CA 1.688 56.727 54.840 0.332 0.000 0.755 173 L CB -0.612 41.586 42.059 0.231 0.000 0.904 173 L HN 0.384 nan 8.230 nan 0.000 0.435 174 A N -0.808 122.152 122.820 0.234 0.000 1.972 174 A HA -0.101 4.219 4.320 0.000 0.000 0.219 174 A C 2.427 180.087 177.584 0.127 0.000 1.169 174 A CA 1.504 53.647 52.037 0.176 0.000 0.635 174 A CB -0.775 18.328 19.000 0.171 0.000 0.810 174 A HN 0.374 nan 8.150 nan 0.000 0.446 175 A N -1.813 121.075 122.820 0.113 0.000 2.066 175 A HA 0.358 4.678 4.320 0.000 0.000 0.218 175 A C 1.828 179.525 177.584 0.188 0.000 1.157 175 A CA 1.566 53.687 52.037 0.140 0.000 0.670 175 A CB -0.728 18.363 19.000 0.152 0.000 0.804 175 A HN 1.895 nan 8.150 nan 0.000 0.453 176 G N -2.748 106.211 108.800 0.266 0.000 2.141 176 G HA2 -0.148 3.812 3.960 0.000 0.000 0.164 176 G HA3 -0.148 3.812 3.960 0.000 0.000 0.164 176 G C -0.116 175.158 174.900 0.623 0.000 1.009 176 G CA -0.211 45.087 45.100 0.330 0.000 0.677 176 G HN 0.646 nan 8.290 nan 0.000 0.508 177 C N 1.551 121.134 119.300 0.473 0.000 2.435 177 C HA 0.833 5.293 4.460 0.000 0.000 0.333 177 C C -1.764 173.263 174.990 0.060 0.000 1.202 177 C CA -1.489 57.639 59.018 0.183 0.000 1.830 177 C CB 1.995 29.757 27.740 0.036 0.000 2.326 177 C HN 0.399 nan 8.230 nan 0.000 0.507 178 P HA 0.573 nan 4.420 nan 0.000 0.284 178 P C -1.060 176.133 177.300 -0.178 0.000 1.258 178 P CA -0.259 62.710 63.100 -0.219 0.000 0.824 178 P CB 1.266 32.862 31.700 -0.174 0.000 1.038 179 I N 0.889 121.354 120.570 -0.175 0.000 2.647 179 I HA 0.349 4.519 4.170 0.000 0.000 0.295 179 I C -1.284 174.768 176.117 -0.107 0.000 1.078 179 I CA -1.263 59.970 61.300 -0.112 0.000 1.048 179 I CB 2.274 40.230 38.000 -0.073 0.000 1.239 179 I HN -0.046 nan 8.210 nan 0.000 0.421 180 V N 7.483 127.351 119.914 -0.076 0.000 2.357 180 V HA 0.412 4.532 4.120 0.000 0.000 0.284 180 V C -0.301 175.776 176.094 -0.028 0.000 1.018 180 V CA -0.559 61.702 62.300 -0.065 0.000 0.841 180 V CB 1.533 33.316 31.823 -0.066 0.000 0.991 180 V HN 0.410 nan 8.190 nan 0.000 0.437 181 V N 5.208 125.112 119.914 -0.016 0.000 2.459 181 V HA 0.485 4.605 4.120 0.000 0.000 0.295 181 V C 0.051 176.162 176.094 0.027 0.000 1.029 181 V CA -0.793 61.516 62.300 0.014 0.000 0.874 181 V CB 1.928 33.765 31.823 0.024 0.000 0.985 181 V HN 0.814 nan 8.190 nan 0.000 0.438 182 K N 7.256 127.684 120.400 0.046 0.000 2.464 182 K HA 0.474 4.794 4.320 0.000 0.000 0.252 182 K C -2.744 173.903 176.600 0.079 0.000 1.000 182 K CA -1.703 54.621 56.287 0.062 0.000 0.951 182 K CB 2.113 34.651 32.500 0.064 0.000 1.183 182 K HN 0.404 nan 8.250 nan 0.000 0.445 183 P HA 0.155 nan 4.420 nan 0.000 0.278 183 P C -0.747 176.618 177.300 0.108 0.000 1.258 183 P CA -0.527 62.624 63.100 0.086 0.000 0.811 183 P CB 0.925 32.672 31.700 0.078 0.000 1.063 184 A N 0.600 123.495 122.820 0.124 0.000 2.511 184 A HA 0.352 4.672 4.320 0.000 0.000 0.242 184 A C 1.729 179.403 177.584 0.150 0.000 1.069 184 A CA 0.537 52.667 52.037 0.154 0.000 0.763 184 A CB -0.894 18.245 19.000 0.232 0.000 1.001 184 A HN 0.645 nan 8.150 nan 0.000 0.498 185 E N 1.817 122.094 120.200 0.129 0.000 2.110 185 E HA -0.156 4.194 4.350 0.000 0.000 0.193 185 E C 2.278 179.005 176.600 0.211 0.000 0.988 185 E CA 1.819 58.331 56.400 0.188 0.000 0.804 185 E CB -0.810 28.757 29.700 -0.221 0.000 0.745 185 E HN 0.851 nan 8.360 nan 0.000 0.458 186 S N 0.067 115.820 115.700 0.089 0.000 2.368 186 S HA -0.145 4.325 4.470 0.000 0.000 0.226 186 S C 1.649 176.314 174.600 0.108 0.000 1.044 186 S CA 2.290 60.525 58.200 0.059 0.000 1.062 186 S CB -0.309 62.876 63.200 -0.026 0.000 0.931 186 S HN 0.870 nan 8.310 nan 0.000 0.440 187 T N -1.458 113.175 114.554 0.131 0.000 3.630 187 T HA 0.435 4.785 4.350 0.000 0.000 0.238 187 T C -2.156 172.581 174.700 0.061 0.000 1.195 187 T CA -1.041 61.136 62.100 0.128 0.000 1.433 187 T CB 1.504 70.485 68.868 0.188 0.000 0.940 187 T HN 0.217 nan 8.240 nan 0.000 0.641 188 P HA 0.147 nan 4.420 nan 0.000 0.236 188 P C 0.917 178.112 177.300 -0.174 0.000 1.177 188 P CA 0.032 63.034 63.100 -0.163 0.000 0.773 188 P CB -0.141 31.371 31.700 -0.313 0.000 0.878 189 F N 0.735 120.702 119.950 0.028 0.000 2.259 189 F HA -0.058 4.469 4.527 0.000 0.000 0.298 189 F C 2.586 178.404 175.800 0.029 0.000 1.088 189 F CA 1.192 59.186 58.000 -0.010 0.000 1.358 189 F CB -1.307 37.662 39.000 -0.052 0.000 1.040 189 F HN -0.095 nan 8.300 nan 0.000 0.505 190 S N 0.065 115.897 115.700 0.219 0.000 2.368 190 S HA -0.177 4.293 4.470 0.000 0.000 0.225 190 S C 2.408 177.110 174.600 0.170 0.000 1.030 190 S CA 1.097 59.403 58.200 0.177 0.000 0.999 190 S CB -0.701 62.593 63.200 0.157 0.000 0.844 190 S HN 0.360 nan 8.310 nan 0.000 0.459 191 A N 1.370 124.277 122.820 0.146 0.000 1.877 191 A HA -0.010 4.310 4.320 0.000 0.000 0.216 191 A C 2.118 179.800 177.584 0.164 0.000 1.186 191 A CA 1.192 53.316 52.037 0.144 0.000 0.620 191 A CB -0.743 18.321 19.000 0.107 0.000 0.822 191 A HN 0.451 nan 8.150 nan 0.000 0.443 192 L N -0.820 120.503 121.223 0.166 0.000 2.093 192 L HA -0.170 4.170 4.340 0.000 0.000 0.208 192 L C 3.087 180.126 176.870 0.282 0.000 1.085 192 L CA 0.917 55.903 54.840 0.242 0.000 0.755 192 L CB -0.543 41.653 42.059 0.227 0.000 0.904 192 L HN 0.443 nan 8.230 nan 0.000 0.435 193 A N -0.049 122.903 122.820 0.220 0.000 1.858 193 A HA -0.230 4.090 4.320 0.000 0.000 0.216 193 A C 2.342 180.097 177.584 0.286 0.000 1.190 193 A CA 1.654 53.830 52.037 0.231 0.000 0.617 193 A CB -0.431 18.673 19.000 0.174 0.000 0.827 193 A HN 0.264 nan 8.150 nan 0.000 0.443 194 M N -0.356 119.411 119.600 0.278 0.000 2.106 194 M HA -0.202 4.278 4.480 0.000 0.000 0.259 194 M C 2.525 178.997 176.300 0.286 0.000 1.068 194 M CA 1.751 57.286 55.300 0.392 0.000 1.100 194 M CB -1.443 31.406 32.600 0.416 0.000 1.351 194 M HN 0.518 nan 8.290 nan 0.000 0.404 195 A N -0.048 122.852 122.820 0.133 0.000 1.877 195 A HA -0.203 4.117 4.320 0.000 0.000 0.216 195 A C 2.065 179.552 177.584 -0.162 0.000 1.186 195 A CA 1.468 53.426 52.037 -0.130 0.000 0.620 195 A CB -1.106 17.787 19.000 -0.178 0.000 0.822 195 A HN 0.437 nan 8.150 nan 0.000 0.443 196 F N 0.549 120.502 119.950 0.006 0.000 2.161 196 F HA -0.126 4.401 4.527 0.000 0.000 0.300 196 F C 1.860 177.670 175.800 0.016 0.000 1.089 196 F CA 1.481 59.542 58.000 0.101 0.000 1.282 196 F CB -0.323 38.729 39.000 0.086 0.000 1.010 196 F HN 0.138 nan 8.300 nan 0.000 0.485 197 L N -0.416 120.797 121.223 -0.016 0.000 2.056 197 L HA -0.150 4.190 4.340 0.000 0.000 0.207 197 L C 2.786 179.591 176.870 -0.108 0.000 1.078 197 L CA 1.090 55.909 54.840 -0.034 0.000 0.749 197 L CB -1.141 41.072 42.059 0.256 0.000 0.901 197 L HN 0.195 nan 8.230 nan 0.000 0.433 198 A N -0.264 122.324 122.820 -0.386 0.000 1.940 198 A HA -0.278 4.042 4.320 0.000 0.000 0.219 198 A C 2.271 179.616 177.584 -0.397 0.000 1.176 198 A CA 1.951 53.506 52.037 -0.803 0.000 0.631 198 A CB -0.541 17.672 19.000 -1.312 0.000 0.814 198 A HN 0.493 nan 8.150 nan 0.000 0.446 199 E N -0.471 119.539 120.200 -0.316 0.000 2.077 199 E HA -0.226 4.124 4.350 0.000 0.000 0.193 199 E C 2.251 178.766 176.600 -0.143 0.000 0.989 199 E CA 1.154 57.453 56.400 -0.169 0.000 0.800 199 E CB -0.147 29.499 29.700 -0.090 0.000 0.746 199 E HN 0.587 nan 8.360 nan 0.000 0.452 200 R N -0.382 119.978 120.500 -0.234 0.000 2.189 200 R HA -0.006 4.335 4.340 0.000 0.000 0.218 200 R C 2.029 178.285 176.300 -0.073 0.000 1.074 200 R CA 0.818 56.809 56.100 -0.181 0.000 0.991 200 R CB -0.038 30.090 30.300 -0.286 0.000 0.883 200 R HN 0.165 nan 8.270 nan 0.000 0.457 201 A N -0.302 122.488 122.820 -0.050 0.000 2.014 201 A HA 0.095 4.415 4.320 0.000 0.000 0.218 201 A C 1.378 178.987 177.584 0.041 0.000 1.163 201 A CA 1.246 53.305 52.037 0.036 0.000 0.652 201 A CB -0.105 18.961 19.000 0.110 0.000 0.808 201 A HN 0.493 nan 8.150 nan 0.000 0.449 202 G N -1.896 106.906 108.800 0.003 0.000 2.141 202 G HA2 -0.108 3.852 3.960 0.000 0.000 0.164 202 G HA3 -0.108 3.852 3.960 0.000 0.000 0.164 202 G C 0.015 174.944 174.900 0.048 0.000 1.009 202 G CA -0.156 44.965 45.100 0.035 0.000 0.677 202 G HN 0.735 nan 8.290 nan 0.000 0.508 203 V N 2.052 121.946 119.914 -0.033 0.000 2.475 203 V HA 0.219 4.339 4.120 0.000 0.000 0.292 203 V C -1.016 175.023 176.094 -0.092 0.000 1.003 203 V CA -0.393 61.832 62.300 -0.125 0.000 1.120 203 V CB 0.549 32.188 31.823 -0.306 0.000 0.937 203 V HN 0.245 nan 8.190 nan 0.000 0.476 204 P HA 0.203 nan 4.420 nan 0.000 0.266 204 P C 0.070 177.318 177.300 -0.087 0.000 1.195 204 P CA 0.024 63.114 63.100 -0.015 0.000 0.768 204 P CB 0.290 32.032 31.700 0.070 0.000 0.838 205 K N 2.026 122.388 120.400 -0.063 0.000 2.466 205 K HA 0.351 4.671 4.320 0.000 0.000 0.278 205 K C 1.355 177.861 176.600 -0.156 0.000 1.048 205 K CA 0.410 56.622 56.287 -0.125 0.000 1.088 205 K CB -1.381 31.060 32.500 -0.097 0.000 0.884 205 K HN 0.929 nan 8.250 nan 0.000 0.478 206 G N 0.293 108.950 108.800 -0.238 0.000 2.278 206 G HA2 -0.250 3.710 3.960 0.000 0.000 0.210 206 G HA3 -0.250 3.710 3.960 0.000 0.000 0.210 206 G C 1.319 176.087 174.900 -0.219 0.000 1.000 206 G CA 0.390 45.366 45.100 -0.208 0.000 0.635 206 G HN 1.079 nan 8.290 nan 0.000 0.495 207 V N 0.368 120.117 119.914 -0.274 0.000 2.719 207 V HA 0.380 4.500 4.120 0.000 0.000 0.252 207 V C 0.907 176.774 176.094 -0.379 0.000 1.065 207 V CA 1.876 63.932 62.300 -0.408 0.000 1.086 207 V CB 0.215 31.597 31.823 -0.736 0.000 0.700 207 V HN 0.571 nan 8.190 nan 0.000 0.467 208 L N -0.647 120.396 121.223 -0.300 0.000 2.409 208 L HA 0.671 5.011 4.340 0.000 0.000 0.272 208 L C -0.684 176.074 176.870 -0.187 0.000 0.980 208 L CA 0.187 54.898 54.840 -0.215 0.000 0.826 208 L CB 2.222 44.155 42.059 -0.209 0.000 1.268 208 L HN -0.091 nan 8.230 nan 0.000 0.407 209 S N 3.321 118.928 115.700 -0.154 0.000 2.532 209 S HA 0.783 5.253 4.470 0.000 0.000 0.299 209 S C -1.178 173.389 174.600 -0.054 0.000 1.105 209 S CA -0.535 57.563 58.200 -0.170 0.000 1.018 209 S CB 1.972 65.056 63.200 -0.193 0.000 1.021 209 S HN 0.413 nan 8.310 nan 0.000 0.483 210 V N 3.847 123.759 119.914 -0.005 0.000 2.326 210 V HA 0.413 4.533 4.120 0.000 0.000 0.281 210 V C -0.444 175.657 176.094 0.012 0.000 1.015 210 V CA -0.691 61.624 62.300 0.025 0.000 0.823 210 V CB 1.289 33.152 31.823 0.066 0.000 1.009 210 V HN 0.674 nan 8.190 nan 0.000 0.436 211 V N 6.529 126.448 119.914 0.009 0.000 2.407 211 V HA 0.512 4.632 4.120 0.000 0.000 0.278 211 V C -0.224 175.896 176.094 0.044 0.000 1.037 211 V CA -0.392 61.916 62.300 0.014 0.000 0.900 211 V CB 1.482 33.307 31.823 0.004 0.000 0.983 211 V HN 0.663 nan 8.190 nan 0.000 0.459 212 I N 4.354 124.953 120.570 0.049 0.000 2.406 212 I HA 0.879 5.049 4.170 0.000 0.000 0.290 212 I C 0.656 176.861 176.117 0.147 0.000 0.999 212 I CA 0.599 61.951 61.300 0.085 0.000 1.124 212 I CB 1.603 39.599 38.000 -0.007 0.000 1.289 212 I HN 0.867 nan 8.210 nan 0.000 0.441 213 G N 4.121 113.073 108.800 0.254 0.000 2.498 213 G HA2 0.080 4.040 3.960 0.000 0.000 0.181 213 G HA3 0.080 4.040 3.960 0.000 0.000 0.181 213 G C -1.625 173.364 174.900 0.147 0.000 1.169 213 G CA -0.698 44.572 45.100 0.284 0.000 0.992 213 G HN 0.407 nan 8.290 nan 0.000 0.490 214 D N 1.869 122.313 120.400 0.074 0.000 2.339 214 D HA 0.369 5.009 4.640 0.000 0.000 0.256 214 D C -0.504 175.796 176.300 0.001 0.000 1.214 214 D CA -1.819 52.182 54.000 0.002 0.000 0.877 214 D CB 1.694 42.497 40.800 0.006 0.000 1.111 214 D HN 0.016 nan 8.370 nan 0.000 0.478 215 P HA -0.224 nan 4.420 nan 0.000 0.216 215 P C 1.144 178.438 177.300 -0.010 0.000 1.153 215 P CA 1.901 64.999 63.100 -0.002 0.000 0.858 215 P CB 0.154 31.848 31.700 -0.009 0.000 0.789 216 K N 0.463 120.851 120.400 -0.020 0.000 2.007 216 K HA 0.071 4.391 4.320 0.000 0.000 0.206 216 K C 2.435 179.023 176.600 -0.019 0.000 1.047 216 K CA 1.748 58.020 56.287 -0.024 0.000 0.937 216 K CB -1.660 30.825 32.500 -0.025 0.000 0.718 216 K HN 0.187 nan 8.250 nan 0.000 0.438 217 A N 0.690 123.504 122.820 -0.011 0.000 1.972 217 A HA 0.053 4.373 4.320 0.000 0.000 0.219 217 A C 2.437 180.018 177.584 -0.005 0.000 1.169 217 A CA 1.560 53.593 52.037 -0.006 0.000 0.635 217 A CB -0.391 18.609 19.000 0.001 0.000 0.810 217 A HN 0.508 nan 8.150 nan 0.000 0.446 218 I N -0.689 119.882 120.570 0.001 0.000 2.193 218 I HA -0.111 4.059 4.170 0.000 0.000 0.240 218 I C 2.776 178.889 176.117 -0.007 0.000 1.084 218 I CA 0.983 62.285 61.300 0.004 0.000 1.365 218 I CB -0.819 37.193 38.000 0.020 0.000 1.064 218 I HN 0.365 nan 8.210 nan 0.000 0.410 219 G N 0.527 109.320 108.800 -0.012 0.000 2.469 219 G HA2 -0.265 3.695 3.960 0.000 0.000 0.219 219 G HA3 -0.265 3.695 3.960 0.000 0.000 0.219 219 G C 1.650 176.526 174.900 -0.040 0.000 1.150 219 G CA 1.700 46.781 45.100 -0.032 0.000 0.763 219 G HN 0.303 nan 8.290 nan 0.000 0.561 220 T N 0.326 114.860 114.554 -0.034 0.000 2.821 220 T HA -0.033 4.317 4.350 0.000 0.000 0.267 220 T C 2.178 176.862 174.700 -0.028 0.000 1.046 220 T CA 1.554 63.634 62.100 -0.033 0.000 1.139 220 T CB -0.055 68.796 68.868 -0.027 0.000 0.871 220 T HN 0.432 nan 8.240 nan 0.000 0.454 221 E N 1.409 121.595 120.200 -0.022 0.000 2.028 221 E HA -0.027 4.324 4.350 0.000 0.000 0.191 221 E C 2.001 178.586 176.600 -0.025 0.000 0.988 221 E CA 1.042 57.430 56.400 -0.021 0.000 0.799 221 E CB -0.569 29.120 29.700 -0.017 0.000 0.755 221 E HN 0.486 nan 8.360 nan 0.000 0.447 222 I N 0.795 121.350 120.570 -0.025 0.000 2.315 222 I HA -0.291 3.880 4.170 0.000 0.000 0.251 222 I C 2.099 178.197 176.117 -0.033 0.000 1.125 222 I CA 1.830 63.114 61.300 -0.027 0.000 1.392 222 I CB -0.572 37.416 38.000 -0.020 0.000 1.065 222 I HN 0.319 nan 8.210 nan 0.000 0.424 223 T N -3.589 110.943 114.554 -0.036 0.000 3.065 223 T HA 0.050 4.400 4.350 0.000 0.000 0.252 223 T C 1.605 176.285 174.700 -0.034 0.000 1.099 223 T CA 0.643 62.719 62.100 -0.040 0.000 1.063 223 T CB -0.023 68.814 68.868 -0.052 0.000 0.948 223 T HN 0.411 nan 8.240 nan 0.000 0.506 224 S N 0.261 115.943 115.700 -0.030 0.000 2.505 224 S HA 0.209 4.679 4.470 0.000 0.000 0.216 224 S C 0.711 175.298 174.600 -0.022 0.000 1.018 224 S CA -0.553 57.632 58.200 -0.025 0.000 0.911 224 S CB -0.465 62.722 63.200 -0.022 0.000 0.818 224 S HN 0.330 nan 8.310 nan 0.000 0.497 225 N N 4.088 122.774 118.700 -0.024 0.000 2.405 225 N HA 0.220 4.960 4.740 0.000 0.000 0.260 225 N C -1.629 173.866 175.510 -0.024 0.000 1.152 225 N CA -1.631 51.405 53.050 -0.023 0.000 0.948 225 N CB 1.413 39.884 38.487 -0.026 0.000 1.111 225 N HN 0.148 nan 8.380 nan 0.000 0.485 226 P HA -0.129 nan 4.420 nan 0.000 0.221 226 P C 1.556 178.845 177.300 -0.018 0.000 1.145 226 P CA 0.947 64.038 63.100 -0.015 0.000 0.795 226 P CB 0.453 32.149 31.700 -0.006 0.000 0.775 227 I N -0.427 120.131 120.570 -0.020 0.000 2.179 227 I HA -0.142 4.028 4.170 0.000 0.000 0.242 227 I C 0.948 177.029 176.117 -0.060 0.000 1.088 227 I CA 0.816 62.099 61.300 -0.028 0.000 1.357 227 I CB -0.703 37.283 38.000 -0.024 0.000 1.051 227 I HN -0.248 nan 8.210 nan 0.000 0.409 228 V N 2.770 122.648 119.914 -0.060 0.000 2.458 228 V HA -0.043 4.077 4.120 0.000 0.000 0.287 228 V C 1.276 177.326 176.094 -0.073 0.000 1.009 228 V CA 0.680 62.935 62.300 -0.075 0.000 1.091 228 V CB 0.331 32.120 31.823 -0.058 0.000 0.960 228 V HN 0.322 nan 8.190 nan 0.000 0.476 229 R N 2.561 123.002 120.500 -0.099 0.000 2.307 229 R HA 0.201 4.541 4.340 0.000 0.000 0.200 229 R C 0.395 176.644 176.300 -0.085 0.000 0.893 229 R CA -0.081 55.968 56.100 -0.085 0.000 1.042 229 R CB 0.506 30.746 30.300 -0.101 0.000 1.059 229 R HN 0.523 nan 8.270 nan 0.000 0.530 230 K N 1.040 121.382 120.400 -0.096 0.000 2.482 230 K HA 0.318 4.638 4.320 0.000 0.000 0.251 230 K C -2.038 174.514 176.600 -0.080 0.000 0.936 230 K CA -0.710 55.514 56.287 -0.106 0.000 0.791 230 K CB 1.614 34.030 32.500 -0.140 0.000 1.213 230 K HN -0.096 nan 8.250 nan 0.000 0.428 231 L N 2.629 123.809 121.223 -0.071 0.000 2.406 231 L HA 0.625 4.965 4.340 0.000 0.000 0.272 231 L C -1.409 175.456 176.870 -0.008 0.000 0.980 231 L CA 0.024 54.849 54.840 -0.026 0.000 0.831 231 L CB 2.150 44.200 42.059 -0.014 0.000 1.253 231 L HN 0.634 nan 8.230 nan 0.000 0.406 232 S N 4.968 120.687 115.700 0.032 0.000 2.449 232 S HA 0.705 5.175 4.470 0.000 0.000 0.310 232 S C -1.208 173.478 174.600 0.143 0.000 1.096 232 S CA -0.402 57.834 58.200 0.060 0.000 1.095 232 S CB 0.389 63.625 63.200 0.059 0.000 1.007 232 S HN 0.508 nan 8.310 nan 0.000 0.474 233 F N 4.046 123.993 119.950 -0.004 0.000 2.518 233 F HA 0.606 5.133 4.527 0.000 0.000 0.323 233 F C -0.594 175.214 175.800 0.013 0.000 1.129 233 F CA -0.221 57.782 58.000 0.005 0.000 0.920 233 F CB 1.851 40.853 39.000 0.004 0.000 1.160 233 F HN 0.434 nan 8.300 nan 0.000 0.440 234 T N 4.966 119.047 114.554 -0.789 0.000 2.792 234 T HA 0.828 5.178 4.350 0.000 0.000 0.280 234 T C 0.002 173.979 174.700 -1.205 0.000 0.990 234 T CA -0.151 61.471 62.100 -0.796 0.000 0.960 234 T CB 1.217 69.876 68.868 -0.349 0.000 0.939 234 T HN 1.128 nan 8.240 nan 0.000 0.439 235 G N 1.805 110.017 108.800 -0.980 0.000 2.404 235 G HA2 0.410 4.370 3.960 0.000 0.000 0.253 235 G HA3 0.410 4.370 3.960 0.000 0.000 0.253 235 G C -0.500 174.373 174.900 -0.046 0.000 1.253 235 G CA -0.233 44.582 45.100 -0.476 0.000 0.917 235 G HN 0.943 nan 8.290 nan 0.000 0.480 236 S N -0.505 115.326 115.700 0.218 0.000 2.585 236 S HA 0.460 4.931 4.470 0.000 0.000 0.273 236 S C 1.404 176.190 174.600 0.310 0.000 1.339 236 S CA 1.190 59.522 58.200 0.219 0.000 1.028 236 S CB 1.258 64.567 63.200 0.181 0.000 0.906 236 S HN 0.867 nan 8.310 nan 0.000 0.528 237 T N 2.766 117.464 114.554 0.241 0.000 2.708 237 T HA -0.052 4.298 4.350 0.000 0.000 0.266 237 T C 2.258 177.077 174.700 0.199 0.000 1.037 237 T CA 1.571 63.828 62.100 0.261 0.000 1.146 237 T CB -1.015 68.064 68.868 0.351 0.000 0.865 237 T HN 0.872 nan 8.240 nan 0.000 0.435 238 A N 1.084 124.006 122.820 0.171 0.000 1.927 238 A HA -0.127 4.193 4.320 0.000 0.000 0.220 238 A C 2.576 180.190 177.584 0.049 0.000 1.185 238 A CA 1.773 53.872 52.037 0.104 0.000 0.639 238 A CB -1.150 17.908 19.000 0.098 0.000 0.820 238 A HN 0.377 nan 8.150 nan 0.000 0.451 239 V N -0.304 119.642 119.914 0.053 0.000 2.427 239 V HA -0.129 3.991 4.120 0.000 0.000 0.248 239 V C 2.772 178.702 176.094 -0.274 0.000 1.051 239 V CA 1.715 63.958 62.300 -0.096 0.000 1.048 239 V CB -1.420 30.364 31.823 -0.066 0.000 0.666 239 V HN 0.631 nan 8.190 nan 0.000 0.456 240 G N 0.346 109.095 108.800 -0.086 0.000 2.459 240 G HA2 -0.244 3.716 3.960 0.000 0.000 0.217 240 G HA3 -0.244 3.716 3.960 0.000 0.000 0.217 240 G C 1.699 176.564 174.900 -0.057 0.000 1.183 240 G CA 0.775 45.844 45.100 -0.051 0.000 0.776 240 G HN 0.438 nan 8.290 nan 0.000 0.552 241 R N -0.082 120.419 120.500 0.002 0.000 2.103 241 R HA -0.031 4.309 4.340 0.000 0.000 0.242 241 R C 2.652 178.926 176.300 -0.043 0.000 1.142 241 R CA 1.206 57.303 56.100 -0.006 0.000 0.960 241 R CB -0.620 29.689 30.300 0.015 0.000 0.858 241 R HN 0.337 nan 8.270 nan 0.000 0.439 242 L N 0.534 121.716 121.223 -0.069 0.000 2.056 242 L HA -0.160 4.180 4.340 0.000 0.000 0.207 242 L C 2.392 179.196 176.870 -0.110 0.000 1.078 242 L CA 1.101 55.892 54.840 -0.081 0.000 0.749 242 L CB -0.321 41.688 42.059 -0.083 0.000 0.901 242 L HN 0.165 nan 8.230 nan 0.000 0.433 243 L N -1.096 120.021 121.223 -0.178 0.000 2.201 243 L HA -0.214 4.126 4.340 0.000 0.000 0.212 243 L C 2.563 179.367 176.870 -0.110 0.000 1.105 243 L CA 1.027 55.755 54.840 -0.186 0.000 0.775 243 L CB -0.309 41.553 42.059 -0.328 0.000 0.913 243 L HN 0.352 nan 8.230 nan 0.000 0.440 244 M N -0.388 119.162 119.600 -0.083 0.000 2.132 244 M HA -0.165 4.315 4.480 0.000 0.000 0.263 244 M C 2.345 178.621 176.300 -0.040 0.000 1.065 244 M CA 1.849 57.122 55.300 -0.046 0.000 1.122 244 M CB -0.038 32.548 32.600 -0.024 0.000 1.365 244 M HN 0.235 nan 8.290 nan 0.000 0.411 245 A N -0.020 122.774 122.820 -0.042 0.000 1.898 245 A HA -0.201 4.119 4.320 0.000 0.000 0.216 245 A C 1.918 179.480 177.584 -0.037 0.000 1.181 245 A CA 1.672 53.689 52.037 -0.034 0.000 0.620 245 A CB -0.728 18.253 19.000 -0.032 0.000 0.819 245 A HN 0.703 nan 8.150 nan 0.000 0.442 246 Q N -0.329 119.442 119.800 -0.047 0.000 2.297 246 Q HA -0.029 4.311 4.340 0.000 0.000 0.204 246 Q C 1.938 177.914 176.000 -0.041 0.000 0.962 246 Q CA 1.289 57.065 55.803 -0.045 0.000 0.879 246 Q CB -0.008 28.696 28.738 -0.056 0.000 0.947 246 Q HN 0.621 nan 8.270 nan 0.000 0.462 247 S N 0.323 115.997 115.700 -0.042 0.000 2.501 247 S HA 0.060 4.530 4.470 0.000 0.000 0.220 247 S C 1.898 176.480 174.600 -0.028 0.000 0.997 247 S CA 0.458 58.636 58.200 -0.037 0.000 0.919 247 S CB 0.140 63.317 63.200 -0.039 0.000 0.778 247 S HN 0.434 nan 8.310 nan 0.000 0.523 248 A N 2.813 125.618 122.820 -0.026 0.000 1.908 248 A HA -0.036 4.284 4.320 0.000 0.000 0.218 248 A C -0.167 177.407 177.584 -0.017 0.000 1.181 248 A CA 1.374 53.400 52.037 -0.020 0.000 0.627 248 A CB -1.874 17.115 19.000 -0.018 0.000 0.818 248 A HN 0.355 nan 8.150 nan 0.000 0.445 249 P HA -0.111 nan 4.420 nan 0.000 0.220 249 P C 1.038 178.331 177.300 -0.012 0.000 1.144 249 P CA 1.943 65.035 63.100 -0.014 0.000 0.800 249 P CB -0.141 31.550 31.700 -0.014 0.000 0.772 250 T N -6.393 108.152 114.554 -0.015 0.000 3.132 250 T HA 0.201 4.551 4.350 0.000 0.000 0.274 250 T C 0.550 175.242 174.700 -0.015 0.000 1.011 250 T CA -0.318 61.774 62.100 -0.014 0.000 0.899 250 T CB -0.721 68.137 68.868 -0.016 0.000 1.089 250 T HN -0.176 nan 8.240 nan 0.000 0.543 251 V N 1.362 121.267 119.914 -0.015 0.000 5.175 251 V HA -0.264 3.856 4.120 0.000 0.000 0.279 251 V C 0.638 176.720 176.094 -0.019 0.000 0.571 251 V CA 0.856 63.148 62.300 -0.015 0.000 0.694 251 V CB -2.219 29.599 31.823 -0.008 0.000 0.525 251 V HN 0.709 nan 8.190 nan 0.000 1.093 252 K N 0.233 120.617 120.400 -0.026 0.000 2.494 252 K HA 0.130 4.450 4.320 0.000 0.000 0.273 252 K C 0.427 177.004 176.600 -0.038 0.000 0.970 252 K CA -0.074 56.192 56.287 -0.035 0.000 0.963 252 K CB 0.430 32.907 32.500 -0.039 0.000 0.913 252 K HN 0.383 nan 8.250 nan 0.000 0.502 253 K N 2.422 122.791 120.400 -0.051 0.000 2.297 253 K HA 0.135 4.455 4.320 0.000 0.000 0.286 253 K C -1.101 175.454 176.600 -0.074 0.000 1.053 253 K CA -0.257 55.993 56.287 -0.062 0.000 0.940 253 K CB 0.363 32.816 32.500 -0.080 0.000 1.019 253 K HN 0.239 nan 8.250 nan 0.000 0.475 254 L N 3.640 124.829 121.223 -0.057 0.000 2.329 254 L HA 0.479 4.819 4.340 0.000 0.000 0.279 254 L C -0.573 176.272 176.870 -0.042 0.000 1.014 254 L CA -0.114 54.702 54.840 -0.040 0.000 0.814 254 L CB 2.058 44.109 42.059 -0.014 0.000 1.257 254 L HN 0.718 nan 8.230 nan 0.000 0.424 255 T N 4.866 119.402 114.554 -0.030 0.000 2.840 255 T HA 0.666 5.016 4.350 0.000 0.000 0.287 255 T C -0.551 174.182 174.700 0.054 0.000 0.991 255 T CA -0.333 61.760 62.100 -0.012 0.000 0.964 255 T CB 0.706 69.537 68.868 -0.062 0.000 0.954 255 T HN 0.259 nan 8.240 nan 0.000 0.438 256 L N 3.495 124.759 121.223 0.069 0.000 2.343 256 L HA 0.503 4.843 4.340 0.000 0.000 0.278 256 L C -0.094 176.823 176.870 0.077 0.000 0.996 256 L CA -0.849 54.063 54.840 0.122 0.000 0.831 256 L CB 1.634 43.780 42.059 0.145 0.000 1.232 256 L HN 0.478 nan 8.230 nan 0.000 0.413 257 E N 5.930 126.150 120.200 0.033 0.000 2.173 257 E HA 0.448 4.798 4.350 0.000 0.000 0.249 257 E C -0.415 176.169 176.600 -0.027 0.000 0.923 257 E CA -0.198 56.215 56.400 0.022 0.000 0.754 257 E CB 1.859 31.579 29.700 0.033 0.000 1.177 257 E HN 0.524 nan 8.360 nan 0.000 0.430 258 L N -0.098 121.147 121.223 0.037 0.000 2.849 258 L HA 0.599 4.939 4.340 0.000 0.000 0.230 258 L C 1.166 178.045 176.870 0.015 0.000 1.589 258 L CA -1.298 53.578 54.840 0.060 0.000 1.664 258 L CB 0.023 42.178 42.059 0.158 0.000 2.392 258 L HN 0.342 nan 8.230 nan 0.000 0.586 259 G N -1.163 107.621 108.800 -0.027 0.000 2.527 259 G HA2 0.476 4.436 3.960 0.000 0.000 0.248 259 G HA3 0.476 4.436 3.960 0.000 0.000 0.248 259 G C -0.315 174.342 174.900 -0.405 0.000 1.231 259 G CA 0.185 45.118 45.100 -0.279 0.000 0.838 259 G HN 0.702 nan 8.290 nan 0.000 0.570 260 G N -0.804 107.744 108.800 -0.419 0.000 3.016 260 G HA2 0.463 4.424 3.960 0.000 0.000 0.270 260 G HA3 0.463 4.424 3.960 0.000 0.000 0.270 260 G C -0.642 174.095 174.900 -0.272 0.000 1.352 260 G CA -0.648 44.312 45.100 -0.234 0.000 1.060 260 G HN 0.690 nan 8.290 nan 0.000 0.538 261 N N -0.923 117.804 118.700 0.046 0.000 2.732 261 N HA 0.360 5.100 4.740 0.000 0.000 0.230 261 N C -0.184 175.417 175.510 0.152 0.000 1.487 261 N CA -0.260 52.850 53.050 0.101 0.000 0.765 261 N CB 0.636 39.291 38.487 0.280 0.000 1.384 261 N HN 0.694 nan 8.380 nan 0.000 0.530 262 A N 2.355 125.210 122.820 0.058 0.000 2.522 262 A HA 0.389 4.709 4.320 0.000 0.000 0.256 262 A C -2.252 175.333 177.584 0.002 0.000 1.086 262 A CA -0.507 51.552 52.037 0.038 0.000 0.763 262 A CB -0.185 18.862 19.000 0.079 0.000 1.024 262 A HN 0.389 nan 8.150 nan 0.000 0.502 263 P HA 0.347 nan 4.420 nan 0.000 0.297 263 P C -1.099 176.260 177.300 0.097 0.000 1.319 263 P CA -0.231 62.889 63.100 0.033 0.000 0.810 263 P CB 0.804 32.498 31.700 -0.010 0.000 0.947 264 F N 4.970 124.908 119.950 -0.020 0.000 2.332 264 F HA 0.482 5.009 4.527 0.000 0.000 0.368 264 F C -0.448 175.450 175.800 0.164 0.000 1.110 264 F CA -0.863 57.184 58.000 0.079 0.000 1.087 264 F CB 0.470 39.379 39.000 -0.152 0.000 1.235 264 F HN 0.127 nan 8.300 nan 0.000 0.470 265 I N 6.846 127.409 120.570 -0.011 0.000 2.354 265 I HA 0.386 4.556 4.170 0.000 0.000 0.292 265 I C -0.971 175.131 176.117 -0.026 0.000 0.989 265 I CA -0.917 60.372 61.300 -0.018 0.000 1.188 265 I CB 1.595 39.456 38.000 -0.232 0.000 1.342 265 I HN 0.204 nan 8.210 nan 0.000 0.457 266 V N 6.573 126.507 119.914 0.033 0.000 2.376 266 V HA 0.414 4.534 4.120 0.000 0.000 0.287 266 V C -0.189 175.928 176.094 0.039 0.000 1.015 266 V CA -0.570 61.741 62.300 0.018 0.000 0.834 266 V CB 0.806 32.479 31.823 -0.250 0.000 1.001 266 V HN 0.400 nan 8.190 nan 0.000 0.428 267 F N 2.563 122.651 119.950 0.230 0.000 2.348 267 F HA 0.345 4.872 4.527 0.000 0.000 0.308 267 F C 1.782 177.586 175.800 0.006 0.000 1.175 267 F CA -0.436 57.660 58.000 0.160 0.000 1.080 267 F CB 0.684 39.756 39.000 0.119 0.000 1.341 267 F HN 0.622 nan 8.300 nan 0.000 0.518 268 D N -0.100 120.330 120.400 0.050 0.000 2.117 268 D HA -0.177 4.463 4.640 0.000 0.000 0.198 268 D C 1.113 177.440 176.300 0.045 0.000 0.982 268 D CA 1.466 55.438 54.000 -0.046 0.000 0.828 268 D CB -0.999 39.656 40.800 -0.241 0.000 0.967 268 D HN 0.588 nan 8.370 nan 0.000 0.464 269 D N 1.322 121.757 120.400 0.058 0.000 2.371 269 D HA 0.088 4.728 4.640 0.000 0.000 0.221 269 D C 0.915 177.277 176.300 0.104 0.000 0.986 269 D CA 0.310 54.344 54.000 0.058 0.000 0.899 269 D CB -0.427 40.383 40.800 0.017 0.000 0.902 269 D HN 0.353 nan 8.370 nan 0.000 0.530 270 A N 0.462 123.380 122.820 0.164 0.000 2.387 270 A HA 0.217 4.537 4.320 0.000 0.000 0.251 270 A C 0.270 177.964 177.584 0.183 0.000 1.113 270 A CA -0.091 52.075 52.037 0.215 0.000 0.794 270 A CB 0.155 19.320 19.000 0.274 0.000 1.069 270 A HN 0.119 nan 8.150 nan 0.000 0.506 271 D N 0.922 121.458 120.400 0.227 0.000 2.485 271 D HA 0.282 4.922 4.640 0.000 0.000 0.229 271 D C 1.019 177.426 176.300 0.178 0.000 1.101 271 D CA -0.538 53.573 54.000 0.184 0.000 0.906 271 D CB 0.297 41.209 40.800 0.185 0.000 1.019 271 D HN 0.202 nan 8.370 nan 0.000 0.516 272 L N 2.817 124.136 121.223 0.160 0.000 2.081 272 L HA -0.153 4.187 4.340 0.000 0.000 0.212 272 L C 1.451 178.395 176.870 0.125 0.000 1.080 272 L CA 1.425 56.383 54.840 0.197 0.000 0.754 272 L CB -1.089 41.090 42.059 0.200 0.000 0.893 272 L HN 0.360 nan 8.230 nan 0.000 0.433 273 D N 0.086 120.533 120.400 0.079 0.000 2.117 273 D HA -0.108 4.532 4.640 0.000 0.000 0.197 273 D C 2.263 178.594 176.300 0.052 0.000 0.987 273 D CA 1.502 55.525 54.000 0.038 0.000 0.829 273 D CB 0.036 40.859 40.800 0.038 0.000 0.961 273 D HN 0.304 nan 8.370 nan 0.000 0.460 274 A N 0.441 123.324 122.820 0.105 0.000 1.968 274 A HA 0.111 4.431 4.320 0.000 0.000 0.217 274 A C 2.203 179.822 177.584 0.059 0.000 1.169 274 A CA 1.627 53.765 52.037 0.169 0.000 0.638 274 A CB -0.598 18.581 19.000 0.299 0.000 0.812 274 A HN 0.218 nan 8.150 nan 0.000 0.446 275 A N -0.488 122.243 122.820 -0.148 0.000 1.898 275 A HA 0.017 4.337 4.320 0.000 0.000 0.216 275 A C 2.190 179.793 177.584 0.031 0.000 1.181 275 A CA 1.643 53.432 52.037 -0.414 0.000 0.620 275 A CB -0.856 18.113 19.000 -0.051 0.000 0.819 275 A HN 0.334 nan 8.150 nan 0.000 0.442 276 V N 0.126 120.040 119.914 -0.001 0.000 2.332 276 V HA -0.251 3.869 4.120 0.000 0.000 0.248 276 V C 3.144 179.197 176.094 -0.069 0.000 1.055 276 V CA 2.747 64.956 62.300 -0.151 0.000 1.038 276 V CB -1.202 30.490 31.823 -0.218 0.000 0.651 276 V HN 0.802 nan 8.190 nan 0.000 0.450 277 E N 0.186 120.390 120.200 0.007 0.000 2.051 277 E HA -0.190 4.160 4.350 0.000 0.000 0.192 277 E C 2.321 178.988 176.600 0.111 0.000 0.991 277 E CA 1.584 58.017 56.400 0.055 0.000 0.799 277 E CB -1.419 28.334 29.700 0.089 0.000 0.748 277 E HN 0.662 nan 8.360 nan 0.000 0.449 278 G N 0.329 109.256 108.800 0.211 0.000 2.422 278 G HA2 0.031 3.991 3.960 0.000 0.000 0.218 278 G HA3 0.031 3.991 3.960 0.000 0.000 0.218 278 G C 2.005 177.025 174.900 0.200 0.000 1.146 278 G CA 1.875 47.198 45.100 0.371 0.000 0.769 278 G HN 0.880 nan 8.290 nan 0.000 0.547 279 A N 1.039 123.817 122.820 -0.071 0.000 1.898 279 A HA 0.077 4.397 4.320 0.000 0.000 0.216 279 A C 2.283 179.865 177.584 -0.003 0.000 1.181 279 A CA 1.259 53.097 52.037 -0.333 0.000 0.620 279 A CB -0.252 18.517 19.000 -0.385 0.000 0.819 279 A HN 0.259 nan 8.150 nan 0.000 0.442 280 I N 0.005 120.608 120.570 0.055 0.000 2.361 280 I HA -0.208 3.962 4.170 0.000 0.000 0.251 280 I C 2.666 178.882 176.117 0.165 0.000 1.133 280 I CA 1.446 62.848 61.300 0.169 0.000 1.413 280 I CB -1.561 36.449 38.000 0.017 0.000 1.073 280 I HN 0.370 nan 8.210 nan 0.000 0.424 281 A N 0.544 123.418 122.820 0.090 0.000 1.943 281 A HA -0.066 4.254 4.320 0.000 0.000 0.213 281 A C 2.486 180.088 177.584 0.030 0.000 1.181 281 A CA 1.271 53.352 52.037 0.074 0.000 0.653 281 A CB -0.459 18.587 19.000 0.077 0.000 0.833 281 A HN 0.489 nan 8.150 nan 0.000 0.451 282 S N -0.014 115.657 115.700 -0.049 0.000 2.362 282 S HA -0.092 4.378 4.470 0.000 0.000 0.221 282 S C 1.876 176.384 174.600 -0.154 0.000 1.032 282 S CA 1.557 59.646 58.200 -0.185 0.000 0.973 282 S CB -0.238 62.658 63.200 -0.507 0.000 0.849 282 S HN 0.349 nan 8.310 nan 0.000 0.465 283 K N 0.037 120.336 120.400 -0.168 0.000 2.243 283 K HA 0.205 4.525 4.320 0.000 0.000 0.201 283 K C 1.091 177.450 176.600 -0.401 0.000 1.051 283 K CA 0.958 57.056 56.287 -0.315 0.000 0.970 283 K CB -0.320 31.980 32.500 -0.334 0.000 0.755 283 K HN 0.557 nan 8.250 nan 0.000 0.465 284 Y N 0.169 120.479 120.300 0.017 0.000 2.462 284 Y HA 0.249 4.799 4.550 0.000 0.000 0.253 284 Y C 0.192 176.111 175.900 0.032 0.000 1.095 284 Y CA -0.392 57.724 58.100 0.027 0.000 1.283 284 Y CB 0.153 38.621 38.460 0.013 0.000 1.138 284 Y HN -0.081 nan 8.280 nan 0.000 0.522 285 R N 0.998 121.585 120.500 0.145 0.000 2.643 285 R HA 0.055 4.395 4.340 0.000 0.000 0.270 285 R C 0.422 176.773 176.300 0.084 0.000 1.061 285 R CA 0.247 56.413 56.100 0.111 0.000 1.107 285 R CB 0.043 30.403 30.300 0.100 0.000 0.999 285 R HN 0.159 nan 8.270 nan 0.000 0.460 286 N N 1.076 119.805 118.700 0.049 0.000 2.693 286 N HA -0.279 4.461 4.740 0.000 0.000 0.249 286 N C -0.857 174.688 175.510 0.059 0.000 1.119 286 N CA 1.406 54.455 53.050 -0.003 0.000 0.717 286 N CB -1.149 37.266 38.487 -0.121 0.000 1.071 286 N HN 0.944 nan 8.380 nan 0.000 0.555 287 N N -1.291 117.468 118.700 0.098 0.000 2.714 287 N HA -0.170 4.570 4.740 0.000 0.000 0.250 287 N C 0.608 176.175 175.510 0.095 0.000 1.117 287 N CA 2.368 55.496 53.050 0.130 0.000 0.719 287 N CB -1.516 37.042 38.487 0.120 0.000 1.081 287 N HN 1.171 nan 8.380 nan 0.000 0.557 288 G N -0.825 108.004 108.800 0.048 0.000 2.198 288 G HA2 -0.338 3.622 3.960 0.000 0.000 0.257 288 G HA3 -0.338 3.622 3.960 0.000 0.000 0.257 288 G C 0.357 175.295 174.900 0.063 0.000 1.042 288 G CA 0.579 45.670 45.100 -0.015 0.000 0.791 288 G HN 0.610 nan 8.290 nan 0.000 0.502 289 Q N -0.176 119.700 119.800 0.127 0.000 2.198 289 Q HA 0.188 4.528 4.340 0.000 0.000 0.209 289 Q C 1.255 177.339 176.000 0.140 0.000 0.848 289 Q CA 0.604 56.552 55.803 0.241 0.000 0.974 289 Q CB 0.727 29.643 28.738 0.297 0.000 1.115 289 Q HN 0.708 nan 8.270 nan 0.000 0.494 290 T N -3.033 111.607 114.554 0.143 0.000 2.922 290 T HA 0.120 4.470 4.350 0.000 0.000 0.285 290 T C 1.573 176.374 174.700 0.168 0.000 1.005 290 T CA -0.760 61.483 62.100 0.238 0.000 1.061 290 T CB 1.369 70.451 68.868 0.356 0.000 1.007 290 T HN 0.370 nan 8.240 nan 0.000 0.502 291 C N 1.736 121.148 119.300 0.186 0.000 2.422 291 C HA 0.002 4.462 4.460 0.000 0.000 0.279 291 C C 2.658 177.697 174.990 0.081 0.000 1.305 291 C CA 0.421 59.514 59.018 0.126 0.000 1.757 291 C CB -2.122 25.708 27.740 0.150 0.000 1.962 291 C HN 0.872 nan 8.230 nan 0.000 0.499 292 V N -0.780 119.228 119.914 0.157 0.000 3.306 292 V HA 0.169 4.289 4.120 0.000 0.000 0.264 292 V C 1.321 177.539 176.094 0.205 0.000 1.149 292 V CA -0.037 62.368 62.300 0.174 0.000 1.143 292 V CB -1.858 30.117 31.823 0.254 0.000 0.767 292 V HN 0.651 nan 8.190 nan 0.000 0.476 293 C N 2.372 121.732 119.300 0.101 0.000 2.665 293 C HA 0.231 4.691 4.460 0.000 0.000 0.416 293 C C 1.393 176.372 174.990 -0.018 0.000 1.305 293 C CA 0.475 59.504 59.018 0.018 0.000 1.903 293 C CB -0.374 27.333 27.740 -0.056 0.000 2.704 293 C HN 0.673 nan 8.230 nan 0.000 0.629 294 T N 3.332 117.823 114.554 -0.105 0.000 2.930 294 T HA 0.038 4.388 4.350 0.000 0.000 0.306 294 T C 0.881 175.424 174.700 -0.261 0.000 1.045 294 T CA 0.368 62.346 62.100 -0.203 0.000 1.134 294 T CB 0.415 68.950 68.868 -0.555 0.000 0.961 294 T HN 0.826 nan 8.240 nan 0.000 0.545 295 N N 1.053 119.624 118.700 -0.214 0.000 2.297 295 N HA 0.113 4.853 4.740 0.000 0.000 0.208 295 N C -0.323 175.126 175.510 -0.100 0.000 1.176 295 N CA -0.025 52.932 53.050 -0.155 0.000 0.882 295 N CB 0.699 39.118 38.487 -0.113 0.000 1.134 295 N HN 0.419 nan 8.380 nan 0.000 0.489 296 R N 0.133 120.520 120.500 -0.188 0.000 2.502 296 R HA 0.293 4.633 4.340 0.000 0.000 0.298 296 R C -1.488 174.622 176.300 -0.317 0.000 1.018 296 R CA -0.613 55.341 56.100 -0.242 0.000 0.899 296 R CB 1.119 31.096 30.300 -0.539 0.000 1.181 296 R HN -0.039 nan 8.270 nan 0.000 0.444 297 F N 2.794 122.748 119.950 0.007 0.000 2.410 297 F HA 0.355 4.882 4.527 0.000 0.000 0.348 297 F C 0.006 175.786 175.800 -0.033 0.000 1.106 297 F CA -0.142 57.914 58.000 0.093 0.000 1.163 297 F CB 0.636 39.723 39.000 0.145 0.000 1.129 297 F HN 0.325 nan 8.300 nan 0.000 0.516 298 F N 3.083 123.264 119.950 0.386 0.000 2.403 298 F HA 0.552 5.079 4.527 0.000 0.000 0.355 298 F C -0.563 175.518 175.800 0.468 0.000 1.119 298 F CA -0.993 57.228 58.000 0.367 0.000 1.007 298 F CB 1.364 40.365 39.000 0.002 0.000 1.194 298 F HN 0.003 nan 8.300 nan 0.000 0.443 299 V N 3.240 123.518 119.914 0.606 0.000 2.555 299 V HA 0.274 4.394 4.120 0.000 0.000 0.302 299 V C 0.365 176.441 176.094 -0.030 0.000 1.038 299 V CA -0.977 61.478 62.300 0.258 0.000 0.887 299 V CB 1.395 33.238 31.823 0.033 0.000 0.991 299 V HN 0.670 nan 8.190 nan 0.000 0.434 300 H N 2.669 121.423 119.070 -0.527 0.000 2.871 300 H HA 0.064 4.620 4.556 0.000 0.000 0.377 300 H C 1.129 176.266 175.328 -0.319 0.000 1.307 300 H CA 0.794 56.314 56.048 -0.881 0.000 1.449 300 H CB 1.021 30.482 29.762 -0.501 0.000 1.452 300 H HN 0.812 nan 8.280 nan 0.000 0.619 301 E N 2.097 121.904 120.200 -0.656 0.000 2.031 301 E HA -0.185 4.165 4.350 0.000 0.000 0.193 301 E C 2.260 178.866 176.600 0.009 0.000 0.994 301 E CA 1.075 57.306 56.400 -0.282 0.000 0.800 301 E CB 0.095 29.592 29.700 -0.338 0.000 0.752 301 E HN 0.596 nan 8.360 nan 0.000 0.447 302 R N 0.332 120.925 120.500 0.155 0.000 2.115 302 R HA -0.073 4.267 4.340 0.000 0.000 0.226 302 R C 2.384 178.774 176.300 0.150 0.000 1.100 302 R CA 1.286 57.478 56.100 0.153 0.000 0.980 302 R CB -0.126 30.275 30.300 0.169 0.000 0.875 302 R HN 0.165 nan 8.270 nan 0.000 0.445 303 V N -2.830 117.188 119.914 0.173 0.000 3.647 303 V HA 0.013 4.133 4.120 0.000 0.000 0.279 303 V C 1.717 177.923 176.094 0.188 0.000 1.314 303 V CA 0.137 62.530 62.300 0.155 0.000 1.125 303 V CB -0.864 31.037 31.823 0.129 0.000 0.907 303 V HN 0.111 nan 8.190 nan 0.000 0.434 304 Y N 2.874 123.213 120.300 0.066 0.000 2.030 304 Y HA -0.264 4.286 4.550 0.000 0.000 0.274 304 Y C 2.360 178.333 175.900 0.121 0.000 1.153 304 Y CA 2.644 60.791 58.100 0.079 0.000 1.115 304 Y CB -0.287 38.187 38.460 0.024 0.000 0.969 304 Y HN 0.303 nan 8.280 nan 0.000 0.488 305 D N -0.106 120.426 120.400 0.219 0.000 2.144 305 D HA -0.159 4.481 4.640 0.000 0.000 0.200 305 D C 2.240 178.558 176.300 0.030 0.000 0.978 305 D CA 1.349 55.410 54.000 0.101 0.000 0.833 305 D CB -0.639 40.245 40.800 0.140 0.000 0.961 305 D HN 0.500 nan 8.370 nan 0.000 0.470 306 A N 0.701 123.563 122.820 0.070 0.000 1.902 306 A HA -0.162 4.158 4.320 0.000 0.000 0.217 306 A C 2.056 179.661 177.584 0.035 0.000 1.181 306 A CA 0.910 52.977 52.037 0.050 0.000 0.623 306 A CB -0.904 18.141 19.000 0.076 0.000 0.818 306 A HN 0.219 nan 8.150 nan 0.000 0.443 307 F N 0.884 120.782 119.950 -0.087 0.000 2.084 307 F HA 0.006 4.533 4.527 0.000 0.000 0.296 307 F C 2.546 178.222 175.800 -0.206 0.000 1.111 307 F CA 1.227 59.148 58.000 -0.131 0.000 1.224 307 F CB -0.485 38.443 39.000 -0.120 0.000 0.991 307 F HN 0.238 nan 8.300 nan 0.000 0.471 308 A N -0.009 122.704 122.820 -0.179 0.000 1.948 308 A HA -0.223 4.097 4.320 0.000 0.000 0.220 308 A C 1.946 179.370 177.584 -0.268 0.000 1.177 308 A CA 2.168 54.025 52.037 -0.300 0.000 0.636 308 A CB -0.992 17.819 19.000 -0.314 0.000 0.815 308 A HN 0.480 nan 8.150 nan 0.000 0.449 309 D N -0.447 119.838 120.400 -0.191 0.000 2.091 309 D HA -0.078 4.562 4.640 0.000 0.000 0.199 309 D C 2.000 178.185 176.300 -0.192 0.000 0.980 309 D CA 1.386 55.296 54.000 -0.150 0.000 0.831 309 D CB -0.284 40.464 40.800 -0.087 0.000 0.987 309 D HN 0.466 nan 8.370 nan 0.000 0.460 310 K N 0.137 120.401 120.400 -0.227 0.000 2.057 310 K HA -0.100 4.220 4.320 0.000 0.000 0.206 310 K C 2.055 178.455 176.600 -0.333 0.000 1.050 310 K CA 0.331 56.473 56.287 -0.241 0.000 0.935 310 K CB -0.219 32.153 32.500 -0.213 0.000 0.715 310 K HN -0.015 nan 8.250 nan 0.000 0.439 311 L N 1.270 122.176 121.223 -0.528 0.000 1.990 311 L HA -0.219 4.121 4.340 0.000 0.000 0.213 311 L C 2.178 178.832 176.870 -0.361 0.000 1.072 311 L CA 2.123 56.621 54.840 -0.569 0.000 0.755 311 L CB -0.771 40.771 42.059 -0.861 0.000 0.889 311 L HN 0.161 nan 8.230 nan 0.000 0.432 312 A N -0.901 121.740 122.820 -0.297 0.000 1.972 312 A HA -0.049 4.271 4.320 0.000 0.000 0.219 312 A C 2.412 179.889 177.584 -0.177 0.000 1.169 312 A CA 1.659 53.572 52.037 -0.206 0.000 0.635 312 A CB -1.049 17.855 19.000 -0.160 0.000 0.810 312 A HN 0.609 nan 8.150 nan 0.000 0.446 313 A N -0.112 122.602 122.820 -0.177 0.000 1.898 313 A HA 0.200 4.520 4.320 0.000 0.000 0.216 313 A C 2.466 179.962 177.584 -0.147 0.000 1.181 313 A CA 1.891 53.843 52.037 -0.142 0.000 0.620 313 A CB -0.911 18.014 19.000 -0.126 0.000 0.819 313 A HN 1.015 nan 8.150 nan 0.000 0.442 314 A N -0.690 122.023 122.820 -0.179 0.000 1.968 314 A HA 0.092 4.412 4.320 0.000 0.000 0.217 314 A C 2.137 179.596 177.584 -0.209 0.000 1.169 314 A CA 1.462 53.393 52.037 -0.175 0.000 0.638 314 A CB -0.730 18.160 19.000 -0.183 0.000 0.812 314 A HN 0.346 nan 8.150 nan 0.000 0.446 315 V N 0.962 120.724 119.914 -0.254 0.000 2.490 315 V HA -0.238 3.882 4.120 0.000 0.000 0.250 315 V C 2.974 178.944 176.094 -0.207 0.000 1.061 315 V CA 2.295 64.410 62.300 -0.309 0.000 1.064 315 V CB -0.746 30.895 31.823 -0.302 0.000 0.670 315 V HN 0.831 nan 8.190 nan 0.000 0.461 316 S N 0.740 116.349 115.700 -0.152 0.000 2.423 316 S HA -0.150 4.320 4.470 0.000 0.000 0.231 316 S C 2.072 176.614 174.600 -0.097 0.000 1.014 316 S CA 1.440 59.576 58.200 -0.107 0.000 0.965 316 S CB -0.396 62.751 63.200 -0.089 0.000 0.785 316 S HN 0.614 nan 8.310 nan 0.000 0.495 317 K N 1.162 121.496 120.400 -0.109 0.000 2.365 317 K HA 0.391 4.711 4.320 0.000 0.000 0.199 317 K C 0.950 177.496 176.600 -0.091 0.000 1.045 317 K CA 0.820 57.053 56.287 -0.090 0.000 0.962 317 K CB -1.038 31.410 32.500 -0.087 0.000 0.759 317 K HN 0.636 nan 8.250 nan 0.000 0.469 318 L N 0.858 122.009 121.223 -0.121 0.000 2.426 318 L HA 0.224 4.564 4.340 0.000 0.000 0.271 318 L C 0.344 177.167 176.870 -0.079 0.000 1.169 318 L CA -0.244 54.529 54.840 -0.113 0.000 0.836 318 L CB 1.128 43.081 42.059 -0.176 0.000 1.112 318 L HN 0.198 nan 8.230 nan 0.000 0.465 319 K N 1.990 122.354 120.400 -0.060 0.000 2.507 319 K HA 0.377 4.697 4.320 0.000 0.000 0.253 319 K C -1.146 175.413 176.600 -0.068 0.000 0.969 319 K CA -0.531 55.722 56.287 -0.057 0.000 0.908 319 K CB 1.467 33.941 32.500 -0.044 0.000 1.127 319 K HN 0.267 nan 8.250 nan 0.000 0.437 320 V N 2.965 122.804 119.914 -0.124 0.000 2.521 320 V HA 0.560 4.680 4.120 0.000 0.000 0.286 320 V C 0.760 176.689 176.094 -0.275 0.000 1.034 320 V CA 0.184 62.361 62.300 -0.204 0.000 1.045 320 V CB 0.874 32.412 31.823 -0.476 0.000 0.974 320 V HN 0.968 nan 8.190 nan 0.000 0.480 321 G N 2.813 111.518 108.800 -0.158 0.000 2.356 321 G HA2 0.602 4.562 3.960 0.000 0.000 0.294 321 G HA3 0.602 4.562 3.960 0.000 0.000 0.294 321 G C -0.635 174.350 174.900 0.141 0.000 1.423 321 G CA -0.466 44.505 45.100 -0.216 0.000 0.806 321 G HN 0.877 nan 8.290 nan 0.000 0.527 322 R N -0.565 120.030 120.500 0.157 0.000 2.570 322 R HA 0.539 4.879 4.340 0.000 0.000 0.277 322 R C 1.711 178.102 176.300 0.153 0.000 1.039 322 R CA 1.139 57.416 56.100 0.294 0.000 1.065 322 R CB -0.129 30.286 30.300 0.193 0.000 0.964 322 R HN 2.163 nan 8.270 nan 0.000 0.428 323 G N 0.230 109.109 108.800 0.133 0.000 2.432 323 G HA2 -0.276 3.684 3.960 0.000 0.000 0.219 323 G HA3 -0.276 3.684 3.960 0.000 0.000 0.219 323 G C 1.595 176.527 174.900 0.053 0.000 1.135 323 G CA 1.554 46.702 45.100 0.079 0.000 0.767 323 G HN 0.969 nan 8.290 nan 0.000 0.550 324 T N -1.212 113.372 114.554 0.049 0.000 3.155 324 T HA 0.055 4.405 4.350 0.000 0.000 0.264 324 T C 0.761 175.477 174.700 0.027 0.000 1.160 324 T CA 0.855 62.974 62.100 0.032 0.000 1.075 324 T CB 0.006 68.890 68.868 0.027 0.000 0.921 324 T HN 0.522 nan 8.240 nan 0.000 0.533 325 E N 1.334 121.553 120.200 0.031 0.000 2.171 325 E HA 0.405 4.755 4.350 0.000 0.000 0.271 325 E C -1.016 175.592 176.600 0.014 0.000 0.916 325 E CA -0.687 55.724 56.400 0.018 0.000 0.774 325 E CB 1.508 31.217 29.700 0.014 0.000 1.128 325 E HN 0.117 nan 8.360 nan 0.000 0.403 326 S N 2.079 117.783 115.700 0.007 0.000 2.568 326 S HA 0.381 4.852 4.470 0.000 0.000 0.282 326 S C 1.009 175.609 174.600 -0.001 0.000 1.338 326 S CA 0.568 58.771 58.200 0.005 0.000 1.045 326 S CB 0.993 64.194 63.200 0.003 0.000 0.873 326 S HN 0.927 nan 8.310 nan 0.000 0.516 327 G N 1.271 110.071 108.800 -0.000 0.000 2.317 327 G HA2 -0.208 3.752 3.960 0.000 0.000 0.227 327 G HA3 -0.208 3.752 3.960 0.000 0.000 0.227 327 G C 0.290 175.186 174.900 -0.007 0.000 1.042 327 G CA -0.127 44.969 45.100 -0.007 0.000 0.623 327 G HN 1.353 nan 8.290 nan 0.000 0.509 328 A N 1.458 124.279 122.820 0.001 0.000 2.496 328 A HA 0.538 4.858 4.320 0.000 0.000 0.278 328 A C 1.502 179.100 177.584 0.022 0.000 1.137 328 A CA 1.793 53.836 52.037 0.010 0.000 0.805 328 A CB -0.160 18.859 19.000 0.032 0.000 1.077 328 A HN 1.421 nan 8.150 nan 0.000 0.513 329 T N 0.615 115.177 114.554 0.013 0.000 3.086 329 T HA 0.422 4.772 4.350 0.000 0.000 0.250 329 T C 0.225 174.951 174.700 0.044 0.000 1.074 329 T CA 0.184 62.297 62.100 0.020 0.000 0.988 329 T CB -0.370 68.497 68.868 -0.003 0.000 0.988 329 T HN 0.394 nan 8.240 nan 0.000 0.530 330 L N 1.070 122.329 121.223 0.060 0.000 2.438 330 L HA 0.717 5.057 4.340 0.000 0.000 0.270 330 L C 0.488 177.459 176.870 0.167 0.000 0.972 330 L CA -1.227 53.675 54.840 0.103 0.000 0.831 330 L CB 2.160 44.281 42.059 0.102 0.000 1.273 330 L HN 0.226 nan 8.230 nan 0.000 0.405 331 G N 2.199 111.084 108.800 0.142 0.000 2.532 331 G HA2 0.677 4.637 3.960 0.000 0.000 0.291 331 G HA3 0.677 4.637 3.960 0.000 0.000 0.291 331 G C -2.730 172.124 174.900 -0.077 0.000 1.349 331 G CA -1.113 44.061 45.100 0.123 0.000 1.038 331 G HN 0.319 nan 8.290 nan 0.000 0.518 332 P HA 0.281 nan 4.420 nan 0.000 0.276 332 P C -0.545 176.598 177.300 -0.262 0.000 1.261 332 P CA -0.606 62.029 63.100 -0.776 0.000 0.800 332 P CB 1.003 32.017 31.700 -1.143 0.000 1.066 333 L N 1.080 122.211 121.223 -0.152 0.000 2.453 333 L HA 0.114 4.454 4.340 0.000 0.000 0.261 333 L C 2.133 178.901 176.870 -0.171 0.000 1.179 333 L CA -0.034 54.751 54.840 -0.091 0.000 0.813 333 L CB -0.832 41.196 42.059 -0.051 0.000 1.110 333 L HN 0.334 nan 8.230 nan 0.000 0.466 334 I N 1.386 121.810 120.570 -0.244 0.000 2.264 334 I HA -0.225 3.945 4.170 0.000 0.000 0.248 334 I C 0.458 176.403 176.117 -0.286 0.000 1.111 334 I CA 1.248 62.328 61.300 -0.368 0.000 1.382 334 I CB -0.131 37.340 38.000 -0.882 0.000 1.060 334 I HN 0.983 nan 8.210 nan 0.000 0.418 335 N N -3.150 115.401 118.700 -0.249 0.000 3.261 335 N HA 0.079 4.820 4.740 0.000 0.000 0.248 335 N C 0.311 175.754 175.510 -0.112 0.000 1.498 335 N CA -0.597 52.356 53.050 -0.163 0.000 0.884 335 N CB 0.159 38.539 38.487 -0.179 0.000 1.428 335 N HN -0.257 nan 8.380 nan 0.000 0.517 336 E N 0.040 120.197 120.200 -0.072 0.000 2.097 336 E HA -0.166 4.184 4.350 0.000 0.000 0.196 336 E C 1.587 178.158 176.600 -0.048 0.000 1.000 336 E CA 1.888 58.264 56.400 -0.039 0.000 0.804 336 E CB -0.532 29.151 29.700 -0.030 0.000 0.740 336 E HN 0.669 nan 8.360 nan 0.000 0.454 337 A N 0.464 123.240 122.820 -0.074 0.000 2.067 337 A HA -0.000 4.320 4.320 0.000 0.000 0.219 337 A C 2.262 179.802 177.584 -0.073 0.000 1.158 337 A CA 1.668 53.665 52.037 -0.066 0.000 0.661 337 A CB -0.269 18.684 19.000 -0.077 0.000 0.801 337 A HN 0.272 nan 8.150 nan 0.000 0.452 338 A N -0.697 122.057 122.820 -0.109 0.000 2.021 338 A HA 0.183 4.503 4.320 0.000 0.000 0.216 338 A C 2.054 179.578 177.584 -0.100 0.000 1.163 338 A CA 1.248 53.223 52.037 -0.104 0.000 0.676 338 A CB -0.488 18.419 19.000 -0.154 0.000 0.818 338 A HN 0.321 nan 8.150 nan 0.000 0.453 339 V N 0.398 120.259 119.914 -0.087 0.000 2.427 339 V HA -0.166 3.954 4.120 0.000 0.000 0.248 339 V C 3.100 179.142 176.094 -0.086 0.000 1.051 339 V CA 2.308 64.551 62.300 -0.096 0.000 1.048 339 V CB -1.125 30.716 31.823 0.030 0.000 0.666 339 V HN 0.671 nan 8.190 nan 0.000 0.456 340 K N 0.467 120.848 120.400 -0.031 0.000 2.211 340 K HA -0.165 4.155 4.320 0.000 0.000 0.203 340 K C 2.054 178.660 176.600 0.010 0.000 1.050 340 K CA 1.782 58.072 56.287 0.004 0.000 0.945 340 K CB -0.445 32.064 32.500 0.014 0.000 0.732 340 K HN 0.490 nan 8.250 nan 0.000 0.451 341 K N 0.194 120.587 120.400 -0.011 0.000 2.025 341 K HA -0.014 4.306 4.320 0.000 0.000 0.207 341 K C 2.041 178.633 176.600 -0.013 0.000 1.049 341 K CA 1.368 57.672 56.287 0.028 0.000 0.933 341 K CB -0.336 32.161 32.500 -0.005 0.000 0.714 341 K HN 0.129 nan 8.250 nan 0.000 0.438 342 V N 1.437 121.248 119.914 -0.171 0.000 2.287 342 V HA -0.271 3.849 4.120 0.000 0.000 0.248 342 V C 2.002 178.016 176.094 -0.132 0.000 1.053 342 V CA 2.155 64.292 62.300 -0.270 0.000 1.027 342 V CB -0.515 30.924 31.823 -0.640 0.000 0.646 342 V HN 0.396 nan 8.190 nan 0.000 0.447 343 E N -0.017 120.122 120.200 -0.102 0.000 2.077 343 E HA -0.216 4.134 4.350 0.000 0.000 0.193 343 E C 2.433 179.095 176.600 0.104 0.000 0.989 343 E CA 1.557 58.005 56.400 0.081 0.000 0.800 343 E CB -0.266 29.512 29.700 0.129 0.000 0.746 343 E HN 0.550 nan 8.360 nan 0.000 0.452 344 S N -0.139 115.622 115.700 0.103 0.000 2.355 344 S HA -0.190 4.280 4.470 0.000 0.000 0.222 344 S C 1.888 176.565 174.600 0.127 0.000 1.031 344 S CA 1.001 59.268 58.200 0.112 0.000 0.993 344 S CB -0.251 63.021 63.200 0.120 0.000 0.859 344 S HN 0.375 nan 8.310 nan 0.000 0.453 345 H N 0.417 119.502 119.070 0.025 0.000 2.352 345 H HA -0.050 4.506 4.556 0.000 0.000 0.299 345 H C 2.173 177.524 175.328 0.039 0.000 1.097 345 H CA 1.794 57.862 56.048 0.033 0.000 1.311 345 H CB -0.178 29.599 29.762 0.026 0.000 1.377 345 H HN 0.415 nan 8.280 nan 0.000 0.504 346 I N 0.645 121.316 120.570 0.168 0.000 2.072 346 I HA -0.265 3.905 4.170 0.000 0.000 0.235 346 I C 2.940 179.111 176.117 0.090 0.000 1.058 346 I CA 1.019 62.397 61.300 0.129 0.000 1.320 346 I CB -0.465 37.635 38.000 0.166 0.000 1.047 346 I HN 0.171 nan 8.210 nan 0.000 0.397 347 A N 0.257 123.131 122.820 0.089 0.000 1.997 347 A HA -0.368 3.952 4.320 0.000 0.000 0.221 347 A C 1.915 179.522 177.584 0.037 0.000 1.172 347 A CA 2.684 54.757 52.037 0.062 0.000 0.645 347 A CB -1.000 18.038 19.000 0.062 0.000 0.813 347 A HN 0.597 nan 8.150 nan 0.000 0.454 348 D N -0.859 119.558 120.400 0.027 0.000 2.084 348 D HA 0.041 4.681 4.640 0.000 0.000 0.196 348 D C 2.109 178.408 176.300 -0.001 0.000 0.985 348 D CA 1.600 55.599 54.000 -0.001 0.000 0.826 348 D CB -0.230 40.545 40.800 -0.042 0.000 0.978 348 D HN 0.345 nan 8.370 nan 0.000 0.456 349 A N 0.065 122.888 122.820 0.006 0.000 1.858 349 A HA -0.123 4.197 4.320 0.000 0.000 0.216 349 A C 2.145 179.730 177.584 0.002 0.000 1.190 349 A CA 1.200 53.236 52.037 -0.003 0.000 0.617 349 A CB -1.061 17.943 19.000 0.007 0.000 0.827 349 A HN 0.337 nan 8.150 nan 0.000 0.443 350 L N -0.281 120.953 121.223 0.019 0.000 2.013 350 L HA -0.188 4.152 4.340 0.000 0.000 0.212 350 L C 2.759 179.637 176.870 0.012 0.000 1.073 350 L CA 2.120 56.972 54.840 0.019 0.000 0.753 350 L CB -0.840 41.239 42.059 0.033 0.000 0.890 350 L HN 0.404 nan 8.230 nan 0.000 0.432 351 A N -1.892 120.936 122.820 0.013 0.000 2.255 351 A HA -0.073 4.247 4.320 0.000 0.000 0.206 351 A C 1.661 179.247 177.584 0.004 0.000 1.193 351 A CA 0.793 52.836 52.037 0.010 0.000 0.794 351 A CB -0.420 18.587 19.000 0.012 0.000 0.794 351 A HN 0.426 nan 8.150 nan 0.000 0.481 352 K N -1.590 118.810 120.400 -0.000 0.000 2.592 352 K HA 0.338 4.658 4.320 0.000 0.000 0.203 352 K C 0.745 177.339 176.600 -0.009 0.000 1.070 352 K CA 0.372 56.657 56.287 -0.004 0.000 1.062 352 K CB 0.564 33.061 32.500 -0.005 0.000 0.814 352 K HN 0.487 nan 8.250 nan 0.000 0.502 353 G N 0.709 109.505 108.800 -0.008 0.000 2.179 353 G HA2 -0.256 3.704 3.960 0.000 0.000 0.220 353 G HA3 -0.256 3.704 3.960 0.000 0.000 0.220 353 G C 0.203 175.094 174.900 -0.015 0.000 0.990 353 G CA -0.061 45.033 45.100 -0.010 0.000 0.646 353 G HN 0.425 nan 8.290 nan 0.000 0.517 354 A N -0.030 122.779 122.820 -0.019 0.000 2.304 354 A HA 0.807 5.127 4.320 0.000 0.000 0.271 354 A C 0.551 178.134 177.584 -0.001 0.000 1.091 354 A CA 0.780 52.805 52.037 -0.021 0.000 0.812 354 A CB 0.781 19.758 19.000 -0.039 0.000 1.056 354 A HN 1.106 nan 8.150 nan 0.000 0.489 355 S N 0.353 116.058 115.700 0.008 0.000 2.482 355 S HA 0.497 4.967 4.470 0.000 0.000 0.303 355 S C -0.536 174.075 174.600 0.019 0.000 1.091 355 S CA -0.554 57.655 58.200 0.015 0.000 1.057 355 S CB 1.291 64.503 63.200 0.020 0.000 1.031 355 S HN 0.671 nan 8.310 nan 0.000 0.485 356 L N 2.713 123.948 121.223 0.020 0.000 2.439 356 L HA 0.418 4.758 4.340 0.000 0.000 0.269 356 L C 0.648 177.524 176.870 0.010 0.000 1.179 356 L CA 0.606 55.460 54.840 0.023 0.000 0.828 356 L CB 0.561 42.635 42.059 0.025 0.000 1.106 356 L HN 0.940 nan 8.230 nan 0.000 0.467 357 M N 1.260 120.863 119.600 0.005 0.000 2.363 357 M HA 0.188 4.668 4.480 0.000 0.000 0.243 357 M C -0.116 176.171 176.300 -0.023 0.000 1.364 357 M CA 0.262 55.553 55.300 -0.015 0.000 1.104 357 M CB 0.749 33.329 32.600 -0.033 0.000 1.570 357 M HN 0.704 nan 8.290 nan 0.000 0.564 358 T N -1.017 113.531 114.554 -0.010 0.000 2.840 358 T HA 0.569 4.919 4.350 0.000 0.000 0.317 358 T C 0.162 174.870 174.700 0.013 0.000 1.401 358 T CA 0.270 62.362 62.100 -0.014 0.000 1.028 358 T CB 1.191 70.036 68.868 -0.038 0.000 1.317 358 T HN 0.709 nan 8.240 nan 0.000 0.495 359 G N 2.141 110.942 108.800 0.000 0.000 2.611 359 G HA2 0.188 4.148 3.960 0.000 0.000 0.301 359 G HA3 0.188 4.148 3.960 0.000 0.000 0.301 359 G C 1.189 176.091 174.900 0.004 0.000 1.233 359 G CA 1.625 46.727 45.100 0.002 0.000 0.993 359 G HN 2.539 nan 8.290 nan 0.000 0.553 360 G N -3.401 105.429 108.800 0.050 0.000 2.201 360 G HA2 0.484 4.444 3.960 0.000 0.000 0.212 360 G HA3 0.484 4.444 3.960 0.000 0.000 0.212 360 G C 0.610 175.533 174.900 0.038 0.000 0.994 360 G CA 1.677 46.836 45.100 0.097 0.000 0.644 360 G HN 2.506 nan 8.290 nan 0.000 0.508 361 K N -0.126 120.114 120.400 -0.266 0.000 2.399 361 K HA 0.913 5.233 4.320 0.000 0.000 0.260 361 K C 0.233 176.125 176.600 -1.179 0.000 1.049 361 K CA -0.249 55.770 56.287 -0.446 0.000 0.890 361 K CB 0.642 33.012 32.500 -0.215 0.000 1.430 361 K HN 0.591 nan 8.250 nan 0.000 0.459 362 R N 1.319 121.380 120.500 -0.732 0.000 2.643 362 R HA 0.178 4.518 4.340 0.000 0.000 0.270 362 R C 0.295 176.436 176.300 -0.265 0.000 1.061 362 R CA -0.540 55.267 56.100 -0.490 0.000 1.107 362 R CB 0.301 30.583 30.300 -0.029 0.000 0.999 362 R HN 0.702 nan 8.270 nan 0.000 0.460 363 H N 0.723 119.694 119.070 -0.165 0.000 2.547 363 H HA 0.111 4.667 4.556 0.000 0.000 0.362 363 H C 0.650 175.950 175.328 -0.048 0.000 1.181 363 H CA 0.280 56.278 56.048 -0.084 0.000 1.376 363 H CB 1.587 31.353 29.762 0.006 0.000 1.488 363 H HN 0.747 nan 8.280 nan 0.000 0.583 364 A N 4.301 126.862 122.820 -0.431 0.000 2.019 364 A HA -0.119 4.201 4.320 0.000 0.000 0.219 364 A C 2.822 180.394 177.584 -0.021 0.000 1.164 364 A CA 1.532 53.439 52.037 -0.216 0.000 0.644 364 A CB -1.122 17.698 19.000 -0.301 0.000 0.805 364 A HN 0.648 nan 8.150 nan 0.000 0.449 365 L N -1.546 119.769 121.223 0.153 0.000 2.191 365 L HA 0.344 4.684 4.340 0.000 0.000 0.212 365 L C 1.910 178.889 176.870 0.181 0.000 1.103 365 L CA 1.924 56.809 54.840 0.075 0.000 0.769 365 L CB -2.132 39.754 42.059 -0.290 0.000 0.908 365 L HN 1.823 nan 8.230 nan 0.000 0.438 366 G N -3.228 105.702 108.800 0.217 0.000 2.660 366 G HA2 -0.016 3.944 3.960 0.000 0.000 0.215 366 G HA3 -0.016 3.944 3.960 0.000 0.000 0.215 366 G C 0.158 175.227 174.900 0.280 0.000 1.345 366 G CA 0.353 45.526 45.100 0.121 0.000 0.877 366 G HN 1.882 nan 8.290 nan 0.000 0.549 367 H N -2.185 116.980 119.070 0.158 0.000 1.452 367 H HA -0.261 4.295 4.556 0.000 0.000 0.090 367 H C 2.160 177.529 175.328 0.069 0.000 0.629 367 H CA 2.959 59.064 56.048 0.096 0.000 1.901 367 H CB -1.334 28.483 29.762 0.092 0.000 2.257 367 H HN 1.748 nan 8.280 nan 0.000 0.961 368 G N -0.001 108.883 108.800 0.141 0.000 2.744 368 G HA2 0.165 4.125 3.960 0.000 0.000 0.211 368 G HA3 0.165 4.125 3.960 0.000 0.000 0.211 368 G C -0.200 174.722 174.900 0.037 0.000 1.146 368 G CA 0.013 45.111 45.100 -0.002 0.000 0.787 368 G HN 0.200 nan 8.290 nan 0.000 0.534 369 F N 0.324 120.377 119.950 0.172 0.000 2.607 369 F HA 0.440 4.967 4.527 0.000 0.000 0.374 369 F C -0.126 175.831 175.800 0.262 0.000 1.104 369 F CA -0.131 57.967 58.000 0.163 0.000 1.296 369 F CB 0.322 39.389 39.000 0.112 0.000 1.085 369 F HN -0.018 nan 8.300 nan 0.000 0.584 370 F N 2.275 122.391 119.950 0.277 0.000 2.588 370 F HA 0.273 4.800 4.527 0.000 0.000 0.314 370 F C -0.279 175.640 175.800 0.199 0.000 1.134 370 F CA -0.973 57.154 58.000 0.213 0.000 0.961 370 F CB 1.152 40.235 39.000 0.139 0.000 1.239 370 F HN 0.439 nan 8.300 nan 0.000 0.448 371 E N 6.861 127.016 120.200 -0.076 0.000 2.465 371 E HA 0.099 4.449 4.350 0.000 0.000 0.260 371 E C -2.194 174.542 176.600 0.227 0.000 0.980 371 E CA -1.499 54.941 56.400 0.067 0.000 0.927 371 E CB 0.561 30.203 29.700 -0.097 0.000 0.934 371 E HN 0.150 nan 8.360 nan 0.000 0.459 372 P HA -0.050 nan 4.420 nan 0.000 0.263 372 P C -1.023 176.401 177.300 0.206 0.000 1.195 372 P CA 0.235 63.470 63.100 0.226 0.000 0.762 372 P CB 0.744 32.458 31.700 0.024 0.000 0.799 373 T N 2.440 117.175 114.554 0.302 0.000 2.863 373 T HA 0.500 4.850 4.350 0.000 0.000 0.285 373 T C -0.177 174.642 174.700 0.199 0.000 1.009 373 T CA -0.525 61.710 62.100 0.224 0.000 0.989 373 T CB 1.474 70.504 68.868 0.270 0.000 1.004 373 T HN 0.095 nan 8.240 nan 0.000 0.455 374 V N 3.262 123.239 119.914 0.106 0.000 2.823 374 V HA 0.662 4.782 4.120 0.000 0.000 0.312 374 V C -0.774 175.341 176.094 0.035 0.000 1.072 374 V CA -0.892 61.439 62.300 0.052 0.000 0.937 374 V CB 1.939 33.742 31.823 -0.033 0.000 1.013 374 V HN 0.722 nan 8.190 nan 0.000 0.430 375 L N 2.924 124.162 121.223 0.025 0.000 2.409 375 L HA 0.804 5.144 4.340 0.000 0.000 0.262 375 L C -0.029 176.846 176.870 0.008 0.000 0.992 375 L CA -0.395 54.456 54.840 0.019 0.000 0.817 375 L CB 2.780 44.855 42.059 0.026 0.000 1.350 375 L HN 0.867 nan 8.230 nan 0.000 0.411 376 T N -2.579 111.992 114.554 0.029 0.000 2.940 376 T HA 0.630 4.980 4.350 0.000 0.000 0.288 376 T C 0.718 175.462 174.700 0.072 0.000 1.045 376 T CA -0.092 62.075 62.100 0.112 0.000 1.018 376 T CB 1.752 70.717 68.868 0.163 0.000 1.151 376 T HN 1.025 nan 8.240 nan 0.000 0.529 377 G N 0.269 109.135 108.800 0.110 0.000 2.249 377 G HA2 -0.177 3.783 3.960 0.000 0.000 0.273 377 G HA3 -0.177 3.783 3.960 0.000 0.000 0.273 377 G C 0.012 174.843 174.900 -0.115 0.000 1.036 377 G CA 0.067 45.151 45.100 -0.027 0.000 0.824 377 G HN 1.143 nan 8.290 nan 0.000 0.504 378 V N -0.519 119.252 119.914 -0.238 0.000 2.583 378 V HA 0.750 4.870 4.120 0.000 0.000 0.287 378 V C 0.666 176.421 176.094 -0.565 0.000 1.051 378 V CA 0.610 62.605 62.300 -0.509 0.000 1.010 378 V CB 1.073 32.356 31.823 -0.901 0.000 0.988 378 V HN 0.960 nan 8.190 nan 0.000 0.478 379 K N 5.581 125.794 120.400 -0.311 0.000 2.435 379 K HA 0.669 4.989 4.320 0.000 0.000 0.251 379 K C -2.209 174.515 176.600 0.206 0.000 0.954 379 K CA -1.557 54.733 56.287 0.005 0.000 0.820 379 K CB 1.294 33.806 32.500 0.020 0.000 1.292 379 K HN 0.472 nan 8.250 nan 0.000 0.436 380 P HA -0.173 nan 4.420 nan 0.000 0.228 380 P C 0.043 177.460 177.300 0.195 0.000 1.151 380 P CA 1.188 64.492 63.100 0.339 0.000 0.770 380 P CB 0.112 31.968 31.700 0.260 0.000 0.786 381 D N -1.863 118.617 120.400 0.133 0.000 2.340 381 D HA 0.010 4.650 4.640 0.000 0.000 0.220 381 D C 0.816 177.153 176.300 0.063 0.000 1.039 381 D CA 0.090 54.138 54.000 0.081 0.000 0.866 381 D CB -0.197 40.636 40.800 0.056 0.000 0.913 381 D HN 0.219 nan 8.370 nan 0.000 0.523 382 M N 1.016 120.662 119.600 0.076 0.000 2.255 382 M HA 0.049 4.529 4.480 0.000 0.000 0.336 382 M C 0.743 177.062 176.300 0.032 0.000 1.135 382 M CA -0.479 54.843 55.300 0.037 0.000 1.145 382 M CB 1.298 33.908 32.600 0.016 0.000 1.473 382 M HN -0.351 nan 8.290 nan 0.000 0.462 383 D N 0.711 121.078 120.400 -0.055 0.000 2.133 383 D HA -0.178 4.462 4.640 0.000 0.000 0.195 383 D C 1.725 177.954 176.300 -0.117 0.000 0.997 383 D CA 1.121 55.034 54.000 -0.145 0.000 0.840 383 D CB -0.131 40.462 40.800 -0.344 0.000 0.947 383 D HN 0.421 nan 8.370 nan 0.000 0.452 384 V N 0.629 120.507 119.914 -0.061 0.000 2.343 384 V HA -0.239 3.881 4.120 0.000 0.000 0.247 384 V C 2.078 178.319 176.094 0.246 0.000 1.051 384 V CA 2.200 64.627 62.300 0.213 0.000 1.036 384 V CB -0.607 31.410 31.823 0.323 0.000 0.654 384 V HN 0.234 nan 8.190 nan 0.000 0.451 385 A N -0.529 122.458 122.820 0.277 0.000 2.076 385 A HA -0.121 4.199 4.320 0.000 0.000 0.220 385 A C 2.144 179.832 177.584 0.173 0.000 1.160 385 A CA 2.421 54.620 52.037 0.269 0.000 0.653 385 A CB -0.606 18.606 19.000 0.353 0.000 0.801 385 A HN 0.791 nan 8.150 nan 0.000 0.455 386 K N -0.559 119.941 120.400 0.167 0.000 2.447 386 K HA 0.450 4.770 4.320 0.000 0.000 0.205 386 K C 0.014 176.757 176.600 0.237 0.000 1.059 386 K CA 0.460 56.848 56.287 0.168 0.000 1.065 386 K CB 0.168 32.737 32.500 0.115 0.000 0.885 386 K HN 0.651 nan 8.250 nan 0.000 0.545 387 E N 0.140 120.485 120.200 0.241 0.000 2.372 387 E HA 0.226 4.576 4.350 0.000 0.000 0.279 387 E C -1.546 175.185 176.600 0.219 0.000 0.946 387 E CA -0.431 56.131 56.400 0.270 0.000 0.769 387 E CB 1.663 31.534 29.700 0.285 0.000 1.230 387 E HN 0.355 nan 8.360 nan 0.000 0.442 388 E N 1.526 121.763 120.200 0.061 0.000 2.290 388 E HA 0.105 4.455 4.350 0.000 0.000 0.277 388 E C 0.261 176.750 176.600 -0.185 0.000 1.035 388 E CA 0.098 56.383 56.400 -0.191 0.000 0.873 388 E CB 1.262 30.620 29.700 -0.569 0.000 1.029 388 E HN 0.480 nan 8.360 nan 0.000 0.419 389 T N 3.060 117.431 114.554 -0.304 0.000 2.737 389 T HA -0.137 4.213 4.350 0.000 0.000 0.265 389 T C 0.436 175.053 174.700 -0.137 0.000 1.038 389 T CA 0.680 62.518 62.100 -0.438 0.000 1.144 389 T CB -0.231 68.448 68.868 -0.315 0.000 0.866 389 T HN 0.660 nan 8.240 nan 0.000 0.434 390 F N 0.331 120.207 119.950 -0.123 0.000 3.074 390 F HA -0.162 4.365 4.527 0.000 0.000 0.289 390 F C 0.792 176.569 175.800 -0.039 0.000 0.863 390 F CA 0.139 58.117 58.000 -0.037 0.000 1.121 390 F CB -1.639 37.388 39.000 0.045 0.000 1.169 390 F HN 0.402 nan 8.300 nan 0.000 0.570 391 G N -1.383 107.425 108.800 0.013 0.000 2.866 391 G HA2 0.685 4.645 3.960 0.000 0.000 0.289 391 G HA3 0.685 4.645 3.960 0.000 0.000 0.289 391 G C -3.003 171.881 174.900 -0.025 0.000 1.396 391 G CA -1.155 43.937 45.100 -0.014 0.000 0.848 391 G HN -0.268 nan 8.290 nan 0.000 0.515 392 P HA 0.280 nan 4.420 nan 0.000 0.218 392 P C -0.673 176.714 177.300 0.145 0.000 1.793 392 P CA -0.205 62.974 63.100 0.131 0.000 0.941 392 P CB 0.043 31.945 31.700 0.337 0.000 1.919 393 L N 0.441 121.662 121.223 -0.004 0.000 2.305 393 L HA 0.716 5.056 4.340 0.000 0.000 0.284 393 L C -0.429 176.477 176.870 0.059 0.000 1.013 393 L CA -0.905 53.971 54.840 0.061 0.000 0.819 393 L CB 1.302 43.384 42.059 0.037 0.000 1.227 393 L HN 0.021 nan 8.230 nan 0.000 0.417 394 A N 7.303 130.208 122.820 0.142 0.000 2.540 394 A HA 0.749 5.069 4.320 0.000 0.000 0.340 394 A C -2.614 175.096 177.584 0.210 0.000 1.424 394 A CA -1.292 50.882 52.037 0.229 0.000 0.940 394 A CB -0.275 18.773 19.000 0.079 0.000 1.149 394 A HN 0.510 nan 8.150 nan 0.000 0.505 395 P HA 0.402 nan 4.420 nan 0.000 0.297 395 P C -0.710 176.749 177.300 0.264 0.000 1.331 395 P CA -0.110 63.103 63.100 0.189 0.000 0.803 395 P CB 1.093 32.899 31.700 0.176 0.000 0.929 396 L N 4.615 125.901 121.223 0.106 0.000 2.275 396 L HA 0.480 4.820 4.340 0.000 0.000 0.288 396 L C 0.172 177.136 176.870 0.156 0.000 1.046 396 L CA -0.531 54.431 54.840 0.204 0.000 0.805 396 L CB 0.328 42.425 42.059 0.064 0.000 1.193 396 L HN 0.256 nan 8.230 nan 0.000 0.426 397 F N 1.869 121.914 119.950 0.158 0.000 2.523 397 F HA 0.584 5.111 4.527 0.000 0.000 0.329 397 F C 0.451 176.452 175.800 0.335 0.000 1.061 397 F CA -0.712 57.364 58.000 0.127 0.000 0.967 397 F CB 1.765 40.614 39.000 -0.252 0.000 1.218 397 F HN 0.383 nan 8.300 nan 0.000 0.480 398 R N 1.799 122.555 120.500 0.427 0.000 2.589 398 R HA 0.669 5.009 4.340 0.000 0.000 0.293 398 R C -1.646 174.881 176.300 0.378 0.000 0.963 398 R CA -0.571 55.660 56.100 0.218 0.000 0.905 398 R CB 1.499 31.726 30.300 -0.122 0.000 1.144 398 R HN 0.649 nan 8.270 nan 0.000 0.459 399 F N 0.033 120.024 119.950 0.069 0.000 2.686 399 F HA 0.708 5.235 4.527 0.000 0.000 0.311 399 F C -0.646 175.052 175.800 -0.170 0.000 1.128 399 F CA -0.709 57.293 58.000 0.003 0.000 0.946 399 F CB 1.485 40.508 39.000 0.039 0.000 1.336 399 F HN 0.475 nan 8.300 nan 0.000 0.457 400 A N 0.554 123.372 122.820 -0.004 0.000 1.999 400 A HA 0.564 4.884 4.320 0.000 0.000 0.200 400 A C 0.459 178.132 177.584 0.147 0.000 1.363 400 A CA 0.818 52.764 52.037 -0.151 0.000 0.844 400 A CB -0.606 18.368 19.000 -0.043 0.000 0.954 400 A HN 1.132 nan 8.150 nan 0.000 0.481 401 S N -1.482 114.409 115.700 0.318 0.000 2.632 401 S HA 0.515 4.985 4.470 0.000 0.000 0.289 401 S C 0.349 175.177 174.600 0.379 0.000 1.115 401 S CA 0.104 58.506 58.200 0.337 0.000 0.889 401 S CB 1.791 65.105 63.200 0.190 0.000 1.116 401 S HN 0.259 nan 8.310 nan 0.000 0.486 402 E N 0.657 121.049 120.200 0.320 0.000 2.031 402 E HA -0.204 4.146 4.350 0.000 0.000 0.193 402 E C 1.808 178.478 176.600 0.116 0.000 0.994 402 E CA 1.445 57.996 56.400 0.252 0.000 0.800 402 E CB -0.183 29.612 29.700 0.159 0.000 0.752 402 E HN 0.817 nan 8.360 nan 0.000 0.447 403 E N 0.500 120.753 120.200 0.089 0.000 2.097 403 E HA -0.293 4.057 4.350 0.000 0.000 0.196 403 E C 2.001 178.615 176.600 0.022 0.000 1.000 403 E CA 1.302 57.728 56.400 0.044 0.000 0.804 403 E CB -0.031 29.695 29.700 0.044 0.000 0.740 403 E HN 0.305 nan 8.360 nan 0.000 0.454 404 E N 0.195 120.427 120.200 0.053 0.000 2.047 404 E HA -0.179 4.171 4.350 0.000 0.000 0.191 404 E C 2.438 178.996 176.600 -0.071 0.000 0.987 404 E CA 0.878 57.297 56.400 0.032 0.000 0.799 404 E CB -0.105 29.658 29.700 0.106 0.000 0.752 404 E HN 0.254 nan 8.360 nan 0.000 0.449 405 L N 0.678 121.815 121.223 -0.145 0.000 1.989 405 L HA -0.181 4.159 4.340 0.000 0.000 0.211 405 L C 2.371 178.983 176.870 -0.430 0.000 1.071 405 L CA 1.410 55.942 54.840 -0.513 0.000 0.749 405 L CB -0.527 41.010 42.059 -0.870 0.000 0.890 405 L HN -0.025 nan 8.230 nan 0.000 0.431 406 V N 0.390 120.165 119.914 -0.231 0.000 2.282 406 V HA -0.366 3.754 4.120 0.000 0.000 0.249 406 V C 2.840 178.842 176.094 -0.153 0.000 1.057 406 V CA 2.392 64.594 62.300 -0.164 0.000 1.032 406 V CB -0.854 30.928 31.823 -0.068 0.000 0.645 406 V HN 0.591 nan 8.190 nan 0.000 0.447 407 R N -0.587 119.839 120.500 -0.123 0.000 2.083 407 R HA -0.193 4.147 4.340 0.000 0.000 0.237 407 R C 2.279 178.499 176.300 -0.134 0.000 1.137 407 R CA 1.872 57.914 56.100 -0.097 0.000 0.951 407 R CB -0.379 29.885 30.300 -0.059 0.000 0.851 407 R HN 0.394 nan 8.270 nan 0.000 0.434 408 L N 0.749 121.843 121.223 -0.215 0.000 2.083 408 L HA -0.060 4.280 4.340 0.000 0.000 0.209 408 L C 2.390 179.050 176.870 -0.351 0.000 1.083 408 L CA 2.052 56.732 54.840 -0.266 0.000 0.752 408 L CB -0.730 41.109 42.059 -0.367 0.000 0.899 408 L HN 0.322 nan 8.230 nan 0.000 0.433 409 A N -0.810 121.719 122.820 -0.486 0.000 1.898 409 A HA -0.159 4.161 4.320 0.000 0.000 0.216 409 A C 1.892 179.466 177.584 -0.017 0.000 1.181 409 A CA 1.625 53.463 52.037 -0.330 0.000 0.620 409 A CB -0.549 18.225 19.000 -0.376 0.000 0.819 409 A HN 0.534 nan 8.150 nan 0.000 0.442 410 N N 0.427 119.107 118.700 -0.034 0.000 2.461 410 N HA -0.038 4.702 4.740 0.000 0.000 0.188 410 N C -0.094 175.391 175.510 -0.042 0.000 1.134 410 N CA 0.491 53.537 53.050 -0.006 0.000 0.878 410 N CB -0.147 38.322 38.487 -0.029 0.000 0.972 410 N HN 0.383 nan 8.380 nan 0.000 0.456 411 D N 0.777 121.155 120.400 -0.038 0.000 2.885 411 D HA 0.045 4.685 4.640 0.000 0.000 0.234 411 D C -0.608 175.683 176.300 -0.016 0.000 1.129 411 D CA 0.258 54.240 54.000 -0.029 0.000 0.991 411 D CB -0.274 40.517 40.800 -0.015 0.000 1.137 411 D HN -0.063 nan 8.370 nan 0.000 0.459 412 T N -1.671 112.855 114.554 -0.048 0.000 2.840 412 T HA 0.471 4.821 4.350 0.000 0.000 0.317 412 T C 0.861 175.449 174.700 -0.187 0.000 1.401 412 T CA 0.156 62.214 62.100 -0.071 0.000 1.028 412 T CB 1.187 70.079 68.868 0.040 0.000 1.317 412 T HN -0.007 nan 8.240 nan 0.000 0.495 413 E N 2.035 122.021 120.200 -0.356 0.000 2.152 413 E HA 0.227 4.577 4.350 0.000 0.000 0.192 413 E C 0.311 176.634 176.600 -0.461 0.000 0.983 413 E CA 0.998 57.110 56.400 -0.479 0.000 0.818 413 E CB -0.371 28.920 29.700 -0.682 0.000 0.758 413 E HN 0.530 nan 8.360 nan 0.000 0.467 414 F N -0.733 119.156 119.950 -0.102 0.000 2.375 414 F HA 0.583 5.110 4.527 0.000 0.000 0.313 414 F C 1.368 176.969 175.800 -0.331 0.000 1.176 414 F CA -0.240 57.676 58.000 -0.141 0.000 1.142 414 F CB 1.701 40.663 39.000 -0.062 0.000 1.275 414 F HN 0.051 nan 8.300 nan 0.000 0.544 415 G N 0.964 109.660 108.800 -0.173 0.000 4.314 415 G HA2 0.333 4.293 3.960 0.000 0.000 0.249 415 G HA3 0.333 4.293 3.960 0.000 0.000 0.249 415 G C -0.684 174.047 174.900 -0.282 0.000 3.443 415 G CA -0.236 44.454 45.100 -0.685 0.000 0.602 415 G HN 0.564 nan 8.290 nan 0.000 0.241 416 L N 1.130 122.340 121.223 -0.020 0.000 2.496 416 L HA 0.912 5.252 4.340 0.000 0.000 0.189 416 L C 1.288 178.163 176.870 0.009 0.000 1.308 416 L CA 1.279 56.100 54.840 -0.032 0.000 0.912 416 L CB -0.175 41.850 42.059 -0.056 0.000 1.148 416 L HN 0.422 nan 8.230 nan 0.000 0.537 417 A N -0.563 122.253 122.820 -0.007 0.000 2.325 417 A HA 0.847 5.168 4.320 0.000 0.000 0.333 417 A C -0.795 176.535 177.584 -0.424 0.000 1.155 417 A CA 0.062 51.954 52.037 -0.242 0.000 0.814 417 A CB 0.794 19.627 19.000 -0.278 0.000 1.206 417 A HN 0.639 nan 8.150 nan 0.000 0.482 418 A N 0.432 122.777 122.820 -0.793 0.000 2.566 418 A HA 0.846 5.166 4.320 0.000 0.000 0.292 418 A C -1.730 175.253 177.584 -1.003 0.000 1.112 418 A CA -0.459 51.032 52.037 -0.910 0.000 0.707 418 A CB 1.052 19.432 19.000 -1.034 0.000 1.302 418 A HN 0.915 nan 8.150 nan 0.000 0.409 419 Y N -0.699 119.422 120.300 -0.298 0.000 2.504 419 Y HA 0.674 5.224 4.550 0.000 0.000 0.344 419 Y C -0.759 174.914 175.900 -0.378 0.000 1.023 419 Y CA -0.746 57.167 58.100 -0.312 0.000 1.020 419 Y CB 2.369 40.654 38.460 -0.292 0.000 1.282 419 Y HN 0.672 nan 8.280 nan 0.000 0.454 420 L N 3.221 124.330 121.223 -0.189 0.000 2.464 420 L HA 0.625 4.965 4.340 0.000 0.000 0.266 420 L C -2.288 174.499 176.870 -0.138 0.000 0.965 420 L CA -0.937 53.833 54.840 -0.117 0.000 0.833 420 L CB 1.440 43.437 42.059 -0.103 0.000 1.296 420 L HN 0.611 nan 8.230 nan 0.000 0.405 421 Y N 3.462 123.757 120.300 -0.009 0.000 2.329 421 Y HA 0.749 5.299 4.550 0.000 0.000 0.328 421 Y C -0.093 175.926 175.900 0.198 0.000 0.992 421 Y CA -0.158 57.976 58.100 0.057 0.000 1.151 421 Y CB 2.219 40.699 38.460 0.034 0.000 1.150 421 Y HN 0.695 nan 8.280 nan 0.000 0.450 422 S N 2.581 118.398 115.700 0.195 0.000 2.608 422 S HA 0.391 4.861 4.470 0.000 0.000 0.285 422 S C -0.374 174.253 174.600 0.044 0.000 1.108 422 S CA -0.837 57.445 58.200 0.136 0.000 0.858 422 S CB 0.968 64.184 63.200 0.025 0.000 1.077 422 S HN 0.656 nan 8.310 nan 0.000 0.450 423 R N 1.403 121.928 120.500 0.041 0.000 2.254 423 R HA 0.213 4.554 4.340 0.000 0.000 0.195 423 R C -0.154 176.145 176.300 -0.001 0.000 0.957 423 R CA 0.140 56.255 56.100 0.024 0.000 1.024 423 R CB -0.853 29.471 30.300 0.040 0.000 0.952 423 R HN 0.672 nan 8.270 nan 0.000 0.484 424 D N 1.577 121.960 120.400 -0.028 0.000 2.344 424 D HA 0.008 4.648 4.640 0.000 0.000 0.253 424 D C 1.398 177.683 176.300 -0.026 0.000 1.255 424 D CA -0.053 53.925 54.000 -0.037 0.000 0.894 424 D CB 0.418 41.175 40.800 -0.072 0.000 1.067 424 D HN -0.150 nan 8.370 nan 0.000 0.492 425 I N 3.839 124.416 120.570 0.012 0.000 2.248 425 I HA -0.196 3.974 4.170 0.000 0.000 0.248 425 I C 1.717 177.895 176.117 0.101 0.000 1.107 425 I CA 1.491 62.830 61.300 0.065 0.000 1.373 425 I CB -0.604 37.438 38.000 0.069 0.000 1.055 425 I HN 0.600 nan 8.210 nan 0.000 0.418 426 G N 0.203 109.025 108.800 0.037 0.000 2.404 426 G HA2 -0.269 3.691 3.960 0.000 0.000 0.215 426 G HA3 -0.269 3.691 3.960 0.000 0.000 0.215 426 G C 1.834 176.746 174.900 0.020 0.000 1.174 426 G CA 0.671 45.790 45.100 0.031 0.000 0.780 426 G HN 0.342 nan 8.290 nan 0.000 0.537 427 R N 0.065 120.529 120.500 -0.060 0.000 2.083 427 R HA -0.073 4.267 4.340 0.000 0.000 0.237 427 R C 2.597 178.814 176.300 -0.138 0.000 1.137 427 R CA 1.680 57.680 56.100 -0.166 0.000 0.951 427 R CB -0.491 29.610 30.300 -0.332 0.000 0.851 427 R HN 0.235 nan 8.270 nan 0.000 0.434 428 V N 0.047 119.909 119.914 -0.087 0.000 2.219 428 V HA -0.301 3.819 4.120 0.000 0.000 0.248 428 V C 2.028 178.090 176.094 -0.053 0.000 1.053 428 V CA 2.297 64.547 62.300 -0.084 0.000 1.009 428 V CB -0.832 30.941 31.823 -0.083 0.000 0.636 428 V HN 0.485 nan 8.190 nan 0.000 0.445 429 W N 0.269 121.523 121.300 -0.078 0.000 2.317 429 W HA -0.206 4.454 4.660 0.000 0.000 0.318 429 W C 2.920 179.404 176.519 -0.059 0.000 1.227 429 W CA 2.301 59.609 57.345 -0.061 0.000 1.269 429 W CB -0.366 29.063 29.460 -0.052 0.000 1.155 429 W HN 0.054 nan 8.180 nan 0.000 0.484 430 R N -0.574 120.052 120.500 0.209 0.000 2.096 430 R HA -0.207 4.133 4.340 0.000 0.000 0.240 430 R C 1.824 178.154 176.300 0.050 0.000 1.139 430 R CA 2.166 58.330 56.100 0.107 0.000 0.952 430 R CB -1.166 29.160 30.300 0.044 0.000 0.854 430 R HN 0.150 nan 8.270 nan 0.000 0.436 431 V N 0.523 120.441 119.914 0.008 0.000 2.379 431 V HA -0.171 3.950 4.120 0.000 0.000 0.245 431 V C 2.354 178.428 176.094 -0.033 0.000 1.044 431 V CA 1.829 64.127 62.300 -0.003 0.000 1.036 431 V CB -0.595 31.245 31.823 0.028 0.000 0.664 431 V HN 0.406 nan 8.190 nan 0.000 0.453 432 A N -0.659 122.116 122.820 -0.074 0.000 2.015 432 A HA -0.165 4.155 4.320 0.000 0.000 0.219 432 A C 2.186 179.712 177.584 -0.098 0.000 1.163 432 A CA 1.373 53.327 52.037 -0.137 0.000 0.646 432 A CB -0.351 18.495 19.000 -0.256 0.000 0.806 432 A HN 0.588 nan 8.150 nan 0.000 0.448 433 E N -0.329 119.857 120.200 -0.024 0.000 2.106 433 E HA -0.090 4.260 4.350 0.000 0.000 0.192 433 E C 2.244 178.854 176.600 0.017 0.000 0.984 433 E CA 0.924 57.345 56.400 0.035 0.000 0.806 433 E CB -0.168 29.616 29.700 0.139 0.000 0.750 433 E HN 0.622 nan 8.360 nan 0.000 0.458 434 A N 1.093 123.919 122.820 0.010 0.000 1.930 434 A HA 0.020 4.340 4.320 0.000 0.000 0.215 434 A C 1.297 178.882 177.584 0.003 0.000 1.176 434 A CA 0.086 52.126 52.037 0.004 0.000 0.632 434 A CB -0.299 18.701 19.000 0.001 0.000 0.819 434 A HN 0.088 nan 8.150 nan 0.000 0.445 435 L N 1.387 122.611 121.223 0.002 0.000 2.559 435 L HA -0.008 4.332 4.340 0.000 0.000 0.274 435 L C 0.182 177.130 176.870 0.131 0.000 1.205 435 L CA 0.074 54.951 54.840 0.063 0.000 0.907 435 L CB 0.338 42.386 42.059 -0.019 0.000 1.153 435 L HN 0.369 nan 8.230 nan 0.000 0.490 436 E N 4.283 124.576 120.200 0.156 0.000 2.028 436 E HA 0.194 4.544 4.350 0.000 0.000 0.275 436 E C -1.374 175.093 176.600 -0.221 0.000 1.171 436 E CA -0.037 56.340 56.400 -0.038 0.000 1.186 436 E CB 0.171 29.790 29.700 -0.135 0.000 1.256 436 E HN 0.350 nan 8.360 nan 0.000 0.474 437 Y N -1.644 118.585 120.300 -0.119 0.000 2.553 437 Y HA 0.325 4.875 4.550 0.000 0.000 0.347 437 Y C 1.351 177.153 175.900 -0.164 0.000 1.019 437 Y CA -1.060 56.954 58.100 -0.143 0.000 1.032 437 Y CB 1.780 40.133 38.460 -0.178 0.000 1.284 437 Y HN 0.244 nan 8.280 nan 0.000 0.466 438 G N 1.275 110.042 108.800 -0.055 0.000 2.403 438 G HA2 0.009 3.969 3.960 0.000 0.000 0.216 438 G HA3 0.009 3.969 3.960 0.000 0.000 0.216 438 G C 0.093 174.899 174.900 -0.157 0.000 1.154 438 G CA 0.571 45.592 45.100 -0.131 0.000 0.784 438 G HN 0.436 nan 8.290 nan 0.000 0.538 439 M N 0.110 119.604 119.600 -0.177 0.000 2.326 439 M HA 0.512 4.992 4.480 0.000 0.000 0.292 439 M C -1.754 174.389 176.300 -0.262 0.000 1.081 439 M CA -0.534 54.633 55.300 -0.222 0.000 0.919 439 M CB 3.497 35.924 32.600 -0.289 0.000 1.634 439 M HN -0.262 nan 8.290 nan 0.000 0.451 440 V N 1.681 121.441 119.914 -0.257 0.000 2.483 440 V HA 0.659 4.779 4.120 0.000 0.000 0.297 440 V C 0.241 176.173 176.094 -0.270 0.000 1.027 440 V CA -0.739 61.373 62.300 -0.314 0.000 0.855 440 V CB 1.882 33.545 31.823 -0.266 0.000 0.995 440 V HN 1.012 nan 8.190 nan 0.000 0.424 441 G N 4.999 113.623 108.800 -0.294 0.000 2.355 441 G HA2 0.623 4.583 3.960 0.000 0.000 0.276 441 G HA3 0.623 4.583 3.960 0.000 0.000 0.276 441 G C -0.580 174.226 174.900 -0.157 0.000 1.198 441 G CA -0.285 44.753 45.100 -0.103 0.000 0.876 441 G HN 0.648 nan 8.290 nan 0.000 0.478 442 I N 2.654 123.109 120.570 -0.192 0.000 2.390 442 I HA 0.185 4.355 4.170 0.000 0.000 0.283 442 I C -0.033 175.864 176.117 -0.368 0.000 1.016 442 I CA -0.737 60.399 61.300 -0.274 0.000 1.151 442 I CB 1.328 39.185 38.000 -0.237 0.000 1.293 442 I HN 0.508 nan 8.210 nan 0.000 0.458 443 N N 2.037 120.298 118.700 -0.732 0.000 2.782 443 N HA -0.169 4.571 4.740 0.000 0.000 0.251 443 N C -0.110 174.988 175.510 -0.686 0.000 1.101 443 N CA 1.326 53.713 53.050 -1.104 0.000 0.764 443 N CB -0.832 37.399 38.487 -0.428 0.000 1.122 443 N HN 0.718 nan 8.380 nan 0.000 0.561 444 T N -2.625 111.690 114.554 -0.399 0.000 2.853 444 T HA 0.604 4.954 4.350 0.000 0.000 0.311 444 T C 0.658 175.508 174.700 0.251 0.000 1.307 444 T CA 0.153 62.305 62.100 0.088 0.000 1.019 444 T CB 1.534 70.436 68.868 0.058 0.000 1.264 444 T HN 0.067 nan 8.240 nan 0.000 0.497 445 G N 1.515 110.488 108.800 0.287 0.000 3.324 445 G HA2 0.405 4.365 3.960 0.000 0.000 0.251 445 G HA3 0.405 4.365 3.960 0.000 0.000 0.251 445 G C -0.166 174.809 174.900 0.125 0.000 1.072 445 G CA -0.085 45.099 45.100 0.140 0.000 0.787 445 G HN 0.558 nan 8.290 nan 0.000 0.537 446 L N 1.781 123.106 121.223 0.169 0.000 2.372 446 L HA 0.473 4.813 4.340 0.000 0.000 0.273 446 L C 0.659 177.602 176.870 0.122 0.000 0.989 446 L CA -0.586 54.334 54.840 0.134 0.000 0.841 446 L CB 1.726 43.830 42.059 0.076 0.000 1.225 446 L HN 0.265 nan 8.230 nan 0.000 0.414 447 I N -2.291 118.365 120.570 0.142 0.000 4.456 447 I HA 0.250 4.420 4.170 0.000 0.000 0.329 447 I C 0.603 176.775 176.117 0.091 0.000 1.313 447 I CA -0.042 61.315 61.300 0.095 0.000 1.205 447 I CB 1.019 39.065 38.000 0.078 0.000 1.179 447 I HN 0.305 nan 8.210 nan 0.000 0.419 448 S N 3.492 119.256 115.700 0.107 0.000 2.533 448 S HA 0.345 4.815 4.470 0.000 0.000 0.282 448 S C -0.339 174.312 174.600 0.086 0.000 1.304 448 S CA -0.024 58.259 58.200 0.137 0.000 1.063 448 S CB -0.018 63.184 63.200 0.003 0.000 0.881 448 S HN 0.826 nan 8.310 nan 0.000 0.493 449 N N -0.051 118.758 118.700 0.182 0.000 3.545 449 N HA 0.095 4.835 4.740 0.000 0.000 0.227 449 N C 0.339 175.698 175.510 -0.251 0.000 1.380 449 N CA -0.807 52.280 53.050 0.061 0.000 0.892 449 N CB 0.450 38.901 38.487 -0.061 0.000 1.441 449 N HN 0.332 nan 8.380 nan 0.000 0.497 450 E N -0.002 119.770 120.200 -0.714 0.000 2.118 450 E HA -0.201 4.149 4.350 0.000 0.000 0.195 450 E C 1.318 177.238 176.600 -1.133 0.000 0.992 450 E CA 2.165 57.812 56.400 -1.254 0.000 0.804 450 E CB -0.411 28.519 29.700 -1.283 0.000 0.741 450 E HN 0.528 nan 8.360 nan 0.000 0.458 451 V N 0.186 119.523 119.914 -0.962 0.000 3.406 451 V HA 0.343 4.463 4.120 0.000 0.000 0.263 451 V C 0.998 176.845 176.094 -0.411 0.000 1.172 451 V CA 0.561 62.254 62.300 -1.012 0.000 1.140 451 V CB -0.360 31.013 31.823 -0.750 0.000 0.784 451 V HN 0.339 nan 8.190 nan 0.000 0.467 452 A N 2.816 125.493 122.820 -0.239 0.000 2.328 452 A HA 0.705 5.025 4.320 0.000 0.000 0.284 452 A C -2.477 175.138 177.584 0.051 0.000 1.160 452 A CA -1.669 50.339 52.037 -0.049 0.000 0.818 452 A CB 0.104 19.102 19.000 -0.005 0.000 1.087 452 A HN 0.433 nan 8.150 nan 0.000 0.504 453 P HA 0.140 nan 4.420 nan 0.000 0.271 453 P C -1.038 176.336 177.300 0.124 0.000 1.233 453 P CA 0.429 63.607 63.100 0.130 0.000 0.764 453 P CB 0.175 31.911 31.700 0.061 0.000 0.825 454 F N 3.943 123.916 119.950 0.038 0.000 2.444 454 F HA 0.696 5.223 4.527 0.000 0.000 0.342 454 F C 0.289 176.090 175.800 0.001 0.000 1.121 454 F CA 0.439 58.453 58.000 0.024 0.000 0.997 454 F CB 1.687 40.725 39.000 0.065 0.000 1.130 454 F HN 0.603 nan 8.300 nan 0.000 0.454 455 G N 2.650 111.216 108.800 -0.389 0.000 2.316 455 G HA2 0.451 4.411 3.960 0.000 0.000 0.296 455 G HA3 0.451 4.411 3.960 0.000 0.000 0.296 455 G C -1.496 173.237 174.900 -0.278 0.000 1.399 455 G CA -0.262 44.710 45.100 -0.214 0.000 0.833 455 G HN 0.987 nan 8.290 nan 0.000 0.565 456 G N -1.644 107.063 108.800 -0.155 0.000 2.597 456 G HA2 0.909 4.869 3.960 0.000 0.000 0.317 456 G HA3 0.909 4.869 3.960 0.000 0.000 0.317 456 G C -0.013 174.824 174.900 -0.104 0.000 1.230 456 G CA 0.118 45.138 45.100 -0.134 0.000 0.996 456 G HN 1.849 nan 8.290 nan 0.000 0.490 457 V N -2.377 117.465 119.914 -0.119 0.000 3.177 457 V HA 0.845 4.965 4.120 0.000 0.000 0.319 457 V C 0.687 176.718 176.094 -0.105 0.000 1.125 457 V CA -0.365 61.869 62.300 -0.111 0.000 1.029 457 V CB 1.095 32.841 31.823 -0.128 0.000 1.119 457 V HN 1.093 nan 8.190 nan 0.000 0.452 458 K N -0.845 119.500 120.400 -0.091 0.000 1.979 458 K HA -0.228 4.092 4.320 0.000 0.000 0.143 458 K C 1.079 177.651 176.600 -0.046 0.000 1.185 458 K CA 1.689 57.922 56.287 -0.089 0.000 0.336 458 K CB -1.372 31.044 32.500 -0.140 0.000 0.680 458 K HN 0.768 nan 8.250 nan 0.000 0.783 459 Q N 0.666 120.444 119.800 -0.037 0.000 2.365 459 Q HA 0.155 4.495 4.340 0.000 0.000 0.203 459 Q C 1.114 177.224 176.000 0.183 0.000 0.929 459 Q CA 0.819 56.646 55.803 0.040 0.000 0.948 459 Q CB 0.676 29.371 28.738 -0.072 0.000 1.043 459 Q HN 0.369 nan 8.270 nan 0.000 0.505 460 S N -0.553 115.217 115.700 0.116 0.000 2.528 460 S HA 0.314 4.784 4.470 0.000 0.000 0.219 460 S C 0.895 175.533 174.600 0.064 0.000 0.985 460 S CA 0.498 58.760 58.200 0.104 0.000 0.914 460 S CB 0.507 63.722 63.200 0.025 0.000 0.776 460 S HN 0.600 nan 8.310 nan 0.000 0.526 461 G N 0.469 109.299 108.800 0.050 0.000 2.306 461 G HA2 0.056 4.016 3.960 0.000 0.000 0.262 461 G HA3 0.056 4.016 3.960 0.000 0.000 0.262 461 G C -1.772 173.137 174.900 0.016 0.000 1.263 461 G CA -0.971 44.158 45.100 0.049 0.000 1.088 461 G HN 0.246 nan 8.290 nan 0.000 0.489 462 L N 0.042 121.276 121.223 0.019 0.000 2.409 462 L HA 0.770 5.110 4.340 0.000 0.000 0.255 462 L C 0.862 177.734 176.870 0.003 0.000 1.027 462 L CA -0.097 54.743 54.840 0.000 0.000 0.834 462 L CB 1.933 43.991 42.059 -0.001 0.000 1.426 462 L HN 2.651 nan 8.230 nan 0.000 0.411 463 G N 1.135 109.930 108.800 -0.008 0.000 2.860 463 G HA2 -0.098 3.862 3.960 0.000 0.000 0.553 463 G HA3 -0.098 3.862 3.960 0.000 0.000 0.553 463 G C -1.262 173.652 174.900 0.022 0.000 1.439 463 G CA -0.806 44.296 45.100 0.003 0.000 0.879 463 G HN 0.484 nan 8.290 nan 0.000 0.545 464 R N 0.424 120.960 120.500 0.060 0.000 2.628 464 R HA 0.519 4.859 4.340 0.000 0.000 0.288 464 R C -0.384 176.035 176.300 0.199 0.000 0.980 464 R CA -0.717 55.446 56.100 0.105 0.000 0.891 464 R CB 1.851 32.176 30.300 0.041 0.000 1.188 464 R HN 0.736 nan 8.270 nan 0.000 0.450 465 E N 0.485 120.833 120.200 0.247 0.000 2.171 465 E HA 0.591 4.941 4.350 0.000 0.000 0.271 465 E C -0.076 176.739 176.600 0.358 0.000 0.916 465 E CA -0.443 56.116 56.400 0.264 0.000 0.774 465 E CB 1.978 31.745 29.700 0.110 0.000 1.128 465 E HN 0.800 nan 8.360 nan 0.000 0.403 466 G N 2.262 111.386 108.800 0.541 0.000 2.710 466 G HA2 -0.041 3.919 3.960 0.000 0.000 0.668 466 G HA3 -0.041 3.919 3.960 0.000 0.000 0.668 466 G C -0.063 174.993 174.900 0.260 0.000 1.320 466 G CA -0.347 45.028 45.100 0.458 0.000 0.860 466 G HN 1.449 nan 8.290 nan 0.000 0.538 467 S N -2.573 113.062 115.700 -0.108 0.000 3.460 467 S HA -0.213 4.257 4.470 0.000 0.000 0.637 467 S C 1.102 175.952 174.600 0.416 0.000 2.505 467 S CA 2.087 60.313 58.200 0.043 0.000 2.686 467 S CB -1.112 62.127 63.200 0.065 0.000 0.330 467 S HN 2.846 nan 8.310 nan 0.000 1.795 468 H N -0.316 118.949 119.070 0.325 0.000 2.462 468 H HA 0.172 4.728 4.556 0.000 0.000 0.292 468 H C 1.658 177.074 175.328 0.147 0.000 1.049 468 H CA 1.571 57.727 56.048 0.180 0.000 1.334 468 H CB -0.728 29.022 29.762 -0.019 0.000 1.404 468 H HN 0.576 nan 8.280 nan 0.000 0.544 469 Y N 1.518 121.705 120.300 -0.188 0.000 2.224 469 Y HA -0.024 4.526 4.550 0.000 0.000 0.289 469 Y C 2.829 178.846 175.900 0.195 0.000 1.146 469 Y CA 1.293 59.389 58.100 -0.006 0.000 1.182 469 Y CB -0.681 37.725 38.460 -0.090 0.000 0.983 469 Y HN 0.485 nan 8.280 nan 0.000 0.524 470 G N -0.749 108.332 108.800 0.468 0.000 2.807 470 G HA2 -0.104 3.856 3.960 0.000 0.000 0.207 470 G HA3 -0.104 3.856 3.960 0.000 0.000 0.207 470 G C 1.301 176.494 174.900 0.489 0.000 1.151 470 G CA 0.508 45.914 45.100 0.509 0.000 0.800 470 G HN 0.531 nan 8.290 nan 0.000 0.523 471 I N -1.402 119.452 120.570 0.473 0.000 4.323 471 I HA 0.141 4.311 4.170 0.000 0.000 0.328 471 I C 1.264 177.596 176.117 0.358 0.000 1.310 471 I CA 0.074 61.605 61.300 0.384 0.000 1.186 471 I CB 0.455 38.670 38.000 0.358 0.000 1.130 471 I HN -0.105 nan 8.210 nan 0.000 0.411 472 D N 1.534 122.116 120.400 0.303 0.000 2.116 472 D HA -0.219 4.421 4.640 0.000 0.000 0.193 472 D C 1.291 177.689 176.300 0.163 0.000 0.998 472 D CA 1.495 55.628 54.000 0.223 0.000 0.836 472 D CB -0.263 40.671 40.800 0.223 0.000 0.951 472 D HN 0.324 nan 8.370 nan 0.000 0.449 473 D N -0.849 119.621 120.400 0.118 0.000 2.378 473 D HA -0.103 4.537 4.640 0.000 0.000 0.222 473 D C 1.168 177.354 176.300 -0.191 0.000 0.980 473 D CA 0.449 54.415 54.000 -0.057 0.000 0.907 473 D CB -0.181 40.531 40.800 -0.147 0.000 0.899 473 D HN 0.416 nan 8.370 nan 0.000 0.527 474 Y N -0.246 120.081 120.300 0.045 0.000 2.449 474 Y HA 0.093 4.643 4.550 0.000 0.000 0.254 474 Y C 1.079 177.012 175.900 0.055 0.000 1.140 474 Y CA -0.354 57.763 58.100 0.028 0.000 1.272 474 Y CB 0.503 38.968 38.460 0.009 0.000 1.114 474 Y HN -0.201 nan 8.280 nan 0.000 0.525 475 V N -2.468 117.561 119.914 0.191 0.000 3.096 475 V HA 0.734 4.854 4.120 0.000 0.000 0.319 475 V C -0.543 175.619 176.094 0.113 0.000 1.103 475 V CA -1.267 61.127 62.300 0.156 0.000 1.016 475 V CB 2.001 33.916 31.823 0.153 0.000 1.090 475 V HN -0.301 nan 8.190 nan 0.000 0.449 476 V N 2.169 122.152 119.914 0.115 0.000 2.709 476 V HA 0.593 4.713 4.120 0.000 0.000 0.308 476 V C -0.593 175.559 176.094 0.096 0.000 1.062 476 V CA -0.538 61.820 62.300 0.097 0.000 0.901 476 V CB 1.824 33.709 31.823 0.102 0.000 1.003 476 V HN 1.069 nan 8.190 nan 0.000 0.425 477 I N 3.967 124.588 120.570 0.086 0.000 2.365 477 I HA 0.578 4.748 4.170 0.000 0.000 0.291 477 I C -0.425 175.750 176.117 0.097 0.000 1.004 477 I CA 0.136 61.489 61.300 0.088 0.000 1.311 477 I CB 0.992 39.040 38.000 0.080 0.000 1.401 477 I HN 0.628 nan 8.210 nan 0.000 0.491 478 K N 6.059 126.520 120.400 0.100 0.000 2.394 478 K HA 0.277 4.597 4.320 0.000 0.000 0.260 478 K C -1.725 174.968 176.600 0.154 0.000 0.967 478 K CA -0.803 55.547 56.287 0.106 0.000 0.855 478 K CB 0.848 33.391 32.500 0.071 0.000 1.101 478 K HN 0.709 nan 8.250 nan 0.000 0.433 479 Y N 6.347 126.662 120.300 0.024 0.000 2.404 479 Y HA 0.300 4.850 4.550 0.000 0.000 0.344 479 Y C -1.380 174.529 175.900 0.015 0.000 0.995 479 Y CA -0.894 57.217 58.100 0.019 0.000 1.201 479 Y CB 0.393 38.864 38.460 0.019 0.000 1.151 479 Y HN 0.452 nan 8.280 nan 0.000 0.517 480 L N 7.559 128.813 121.223 0.052 0.000 2.296 480 L HA 0.391 4.731 4.340 0.000 0.000 0.286 480 L C -0.592 176.194 176.870 -0.140 0.000 1.023 480 L CA -0.794 53.967 54.840 -0.131 0.000 0.812 480 L CB 1.362 43.407 42.059 -0.023 0.000 1.223 480 L HN 0.747 nan 8.230 nan 0.000 0.421 481 C N 5.291 124.401 119.300 -0.316 0.000 2.291 481 C HA 0.636 5.096 4.460 0.000 0.000 0.322 481 C C -0.004 174.945 174.990 -0.069 0.000 1.205 481 C CA -0.432 58.502 59.018 -0.140 0.000 1.495 481 C CB 0.106 27.698 27.740 -0.247 0.000 2.127 481 C HN 0.564 nan 8.230 nan 0.000 0.452 482 V N 6.482 126.391 119.914 -0.007 0.000 2.370 482 V HA 0.595 4.715 4.120 0.000 0.000 0.283 482 V C 0.882 176.977 176.094 0.002 0.000 1.023 482 V CA -0.409 61.886 62.300 -0.009 0.000 0.857 482 V CB 0.992 32.816 31.823 0.001 0.000 0.985 482 V HN 1.064 nan 8.190 nan 0.000 0.443 483 A N 4.820 127.637 122.820 -0.006 0.000 2.492 483 A HA 0.508 4.829 4.320 0.000 0.000 0.254 483 A C 0.105 177.690 177.584 0.002 0.000 1.091 483 A CA 0.163 52.200 52.037 -0.000 0.000 0.768 483 A CB 0.523 19.520 19.000 -0.005 0.000 1.028 483 A HN 0.733 nan 8.150 nan 0.000 0.498 484 V N 0.000 119.917 119.914 0.005 0.000 2.409 484 V HA 0.000 4.120 4.120 0.000 0.000 0.244 484 V CA 0.000 62.303 62.300 0.005 0.000 1.235 484 V CB 0.000 31.828 31.823 0.008 0.000 1.184 484 V HN 0.000 nan 8.190 nan 0.000 0.556