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 3dxv_1_A DATA FIRST_RESID 3 DATA SEQUENCE KALYDRDGAA IGNLQKLRFF PLAISGGRGA RLIEENGREL IDLSGAWGAA DATA SEQUENCE SLGYGHPAIV AAVSAAAANP AGATILSASN APAVTLAERL LASFPGEGTH DATA SEQUENCE KIWFGHSGSD ANEAAYRAIV KATGRSGVIA FAGAYHGCTV GSMAFSXXXX DATA SEQUENCE XXXXXXXXGL ILLPYPDPYR PYRNDPTGDA ILTLLTEKLA AVPAGSIGAA DATA SEQUENCE FIEPIQSDGG LIVPPDGFLR KFADICRAHG ILVVCDEVKV GLARSGRLHC DATA SEQUENCE FEHEGFVPDI LVLGKGLGGG LPLSAVIAPA EILDCASAFA MQTLHGNPIS DATA SEQUENCE AAAGLAVLET IDRDDLPAMA ERKGRLLRDG LSELAKRHPL IGDIRGRGLA DATA SEQUENCE CGMELVCDRQ SREPARAETA KLIYRAYQLG LVVYYVGMNG NVLEFTPPLT DATA SEQUENCE ITETDIHKAL DLLDRAFSEL SAVSNEEIAQ FAGW 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 K HA 0.000 nan 4.320 nan 0.000 0.191 3 K C 0.000 176.619 176.600 0.032 0.000 0.988 3 K CA 0.000 56.300 56.287 0.022 0.000 0.838 3 K CB 0.000 32.508 32.500 0.013 0.000 1.064 4 A N 2.494 125.343 122.820 0.048 0.000 2.386 4 A HA 0.218 4.527 4.320 -0.019 0.000 0.248 4 A C 0.956 178.582 177.584 0.071 0.000 1.082 4 A CA -0.235 51.843 52.037 0.069 0.000 0.789 4 A CB 0.379 19.438 19.000 0.099 0.000 1.025 4 A HN 0.772 nan 8.150 nan 0.000 0.490 5 L N 1.574 122.845 121.223 0.081 0.000 2.042 5 L HA -0.176 4.152 4.340 -0.019 0.000 0.210 5 L C 1.948 178.858 176.870 0.066 0.000 1.076 5 L CA 2.293 57.171 54.840 0.064 0.000 0.749 5 L CB -1.152 40.949 42.059 0.070 0.000 0.893 5 L HN 0.832 nan 8.230 nan 0.000 0.432 6 Y N 0.217 120.538 120.300 0.035 0.000 2.293 6 Y HA -0.216 4.324 4.550 -0.017 0.000 0.291 6 Y C 2.334 178.251 175.900 0.028 0.000 1.137 6 Y CA 1.973 60.098 58.100 0.042 0.000 1.202 6 Y CB -0.102 38.405 38.460 0.079 0.000 0.990 6 Y HN 0.356 nan 8.280 nan 0.000 0.537 7 D N -0.687 119.776 120.400 0.105 0.000 2.149 7 D HA -0.121 4.508 4.640 -0.019 0.000 0.201 7 D C 2.158 178.436 176.300 -0.037 0.000 0.972 7 D CA 0.838 54.859 54.000 0.036 0.000 0.835 7 D CB -0.113 40.724 40.800 0.061 0.000 0.966 7 D HN 0.383 nan 8.370 nan 0.000 0.476 8 R N 0.974 121.454 120.500 -0.034 0.000 2.091 8 R HA -0.132 4.197 4.340 -0.019 0.000 0.238 8 R C 2.002 178.243 176.300 -0.098 0.000 1.136 8 R CA 1.073 57.143 56.100 -0.051 0.000 0.959 8 R CB -0.267 30.014 30.300 -0.032 0.000 0.856 8 R HN 0.278 nan 8.270 nan 0.000 0.437 9 D N -0.090 120.212 120.400 -0.163 0.000 2.092 9 D HA -0.136 4.492 4.640 -0.019 0.000 0.193 9 D C 1.815 177.972 176.300 -0.237 0.000 0.994 9 D CA 1.673 55.531 54.000 -0.237 0.000 0.828 9 D CB -0.217 40.338 40.800 -0.408 0.000 0.963 9 D HN 0.295 nan 8.370 nan 0.000 0.450 10 G N 0.351 108.991 108.800 -0.267 0.000 2.462 10 G HA2 -0.152 3.796 3.960 -0.019 0.000 0.220 10 G HA3 -0.152 3.796 3.960 -0.019 0.000 0.220 10 G C 1.655 176.484 174.900 -0.117 0.000 1.121 10 G CA 1.244 46.230 45.100 -0.189 0.000 0.758 10 G HN 0.473 nan 8.290 nan 0.000 0.559 11 A N 0.485 123.247 122.820 -0.097 0.000 1.943 11 A HA 0.582 4.890 4.320 -0.019 0.000 0.213 11 A C 2.622 180.167 177.584 -0.065 0.000 1.181 11 A CA 1.678 53.675 52.037 -0.067 0.000 0.653 11 A CB -0.350 18.620 19.000 -0.049 0.000 0.833 11 A HN 0.603 nan 8.150 nan 0.000 0.451 12 A N -0.785 121.990 122.820 -0.074 0.000 1.984 12 A HA 0.434 4.742 4.320 -0.019 0.000 0.214 12 A C 0.806 178.348 177.584 -0.070 0.000 1.173 12 A CA 0.408 52.407 52.037 -0.064 0.000 0.673 12 A CB -0.086 18.878 19.000 -0.060 0.000 0.830 12 A HN 0.379 nan 8.150 nan 0.000 0.453 13 I N 0.328 120.844 120.570 -0.090 0.000 2.378 13 I HA 0.428 4.586 4.170 -0.019 0.000 0.291 13 I C 0.781 176.842 176.117 -0.092 0.000 0.992 13 I CA -0.851 60.396 61.300 -0.089 0.000 1.154 13 I CB 1.700 39.640 38.000 -0.100 0.000 1.315 13 I HN 0.198 nan 8.210 nan 0.000 0.448 14 G N 3.527 112.281 108.800 -0.076 0.000 2.594 14 G HA2 0.007 3.955 3.960 -0.019 0.000 0.243 14 G HA3 0.007 3.955 3.960 -0.019 0.000 0.243 14 G C 0.655 175.505 174.900 -0.082 0.000 1.229 14 G CA -0.334 44.723 45.100 -0.072 0.000 0.843 14 G HN 0.692 nan 8.290 nan 0.000 0.578 15 N N -0.012 118.640 118.700 -0.079 0.000 2.309 15 N HA -0.110 4.618 4.740 -0.019 0.000 0.182 15 N C 2.317 177.775 175.510 -0.087 0.000 1.018 15 N CA 0.273 53.270 53.050 -0.087 0.000 0.876 15 N CB -0.177 38.264 38.487 -0.077 0.000 0.972 15 N HN 0.388 nan 8.380 nan 0.000 0.434 16 L N 1.832 123.012 121.223 -0.072 0.000 2.034 16 L HA -0.234 4.094 4.340 -0.019 0.000 0.217 16 L C 2.162 178.986 176.870 -0.077 0.000 1.077 16 L CA 1.834 56.635 54.840 -0.065 0.000 0.769 16 L CB -0.381 41.647 42.059 -0.052 0.000 0.890 16 L HN 0.379 nan 8.230 nan 0.000 0.435 17 Q N -1.121 118.628 119.800 -0.085 0.000 2.247 17 Q HA 0.077 4.406 4.340 -0.019 0.000 0.204 17 Q C -0.153 175.767 176.000 -0.134 0.000 0.872 17 Q CA -0.098 55.647 55.803 -0.096 0.000 0.951 17 Q CB 0.063 28.755 28.738 -0.076 0.000 1.099 17 Q HN 0.332 nan 8.270 nan 0.000 0.501 18 K N 1.318 121.629 120.400 -0.148 0.000 2.234 18 K HA 0.255 4.563 4.320 -0.019 0.000 0.282 18 K C -0.880 175.548 176.600 -0.288 0.000 1.039 18 K CA -0.532 55.643 56.287 -0.186 0.000 0.928 18 K CB 1.337 33.744 32.500 -0.155 0.000 1.039 18 K HN 0.067 nan 8.250 nan 0.000 0.470 19 L N 4.641 125.640 121.223 -0.373 0.000 2.679 19 L HA 0.224 4.552 4.340 -0.019 0.000 0.238 19 L C -0.962 175.434 176.870 -0.790 0.000 1.330 19 L CA -0.260 54.198 54.840 -0.638 0.000 0.935 19 L CB 0.162 41.836 42.059 -0.641 0.000 1.243 19 L HN 0.414 nan 8.230 nan 0.000 0.484 20 R N 1.693 121.753 120.500 -0.733 0.000 2.460 20 R HA 0.434 4.763 4.340 -0.019 0.000 0.303 20 R C -0.367 175.478 176.300 -0.759 0.000 0.968 20 R CA -0.296 55.481 56.100 -0.539 0.000 0.889 20 R CB 1.193 31.466 30.300 -0.045 0.000 1.123 20 R HN 0.377 nan 8.270 nan 0.000 0.455 21 F N 0.857 120.541 119.950 -0.444 0.000 2.784 21 F HA 0.260 4.778 4.527 -0.015 0.000 0.316 21 F C 0.202 175.595 175.800 -0.680 0.000 1.026 21 F CA -0.247 57.538 58.000 -0.358 0.000 1.188 21 F CB 0.453 39.276 39.000 -0.294 0.000 0.999 21 F HN 0.421 nan 8.300 nan 0.000 0.605 22 F N -2.287 117.110 119.950 -0.921 0.000 2.686 22 F HA 0.594 5.109 4.527 -0.019 0.000 0.311 22 F C -2.912 171.953 175.800 -1.558 0.000 1.128 22 F CA -2.979 53.966 58.000 -1.759 0.000 0.946 22 F CB 0.348 38.428 39.000 -1.533 0.000 1.336 22 F HN -0.364 nan 8.300 nan 0.000 0.457 23 P HA 0.149 nan 4.420 nan 0.000 0.220 23 P C -0.438 176.442 177.300 -0.700 0.000 1.778 23 P CA 0.200 62.608 63.100 -1.153 0.000 0.912 23 P CB 0.167 31.484 31.700 -0.638 0.000 1.861 24 L N 1.166 122.094 121.223 -0.491 0.000 2.477 24 L HA 0.376 4.705 4.340 -0.019 0.000 0.272 24 L C -0.003 176.947 176.870 0.133 0.000 1.157 24 L CA 0.076 54.849 54.840 -0.111 0.000 0.889 24 L CB -0.069 42.002 42.059 0.021 0.000 1.158 24 L HN 0.192 nan 8.230 nan 0.000 0.473 25 A N 7.281 130.204 122.820 0.171 0.000 2.410 25 A HA 0.677 4.985 4.320 -0.019 0.000 0.289 25 A C -0.708 176.941 177.584 0.109 0.000 1.200 25 A CA -0.489 51.665 52.037 0.195 0.000 0.751 25 A CB 0.239 19.385 19.000 0.244 0.000 1.161 25 A HN 0.658 nan 8.150 nan 0.000 0.459 26 I N 1.976 122.586 120.570 0.067 0.000 2.525 26 I HA 0.477 4.635 4.170 -0.019 0.000 0.301 26 I C 1.172 177.290 176.117 0.001 0.000 0.992 26 I CA -0.280 61.031 61.300 0.018 0.000 1.162 26 I CB 2.358 40.345 38.000 -0.022 0.000 1.332 26 I HN 0.696 nan 8.210 nan 0.000 0.458 27 S N 1.643 117.335 115.700 -0.014 0.000 2.744 27 S HA 0.482 4.941 4.470 -0.019 0.000 0.265 27 S C 0.188 174.770 174.600 -0.030 0.000 1.065 27 S CA 0.033 58.224 58.200 -0.014 0.000 1.191 27 S CB 0.707 63.907 63.200 -0.000 0.000 1.150 27 S HN 0.891 nan 8.310 nan 0.000 0.646 28 G N -0.908 107.858 108.800 -0.057 0.000 2.645 28 G HA2 0.678 4.626 3.960 -0.019 0.000 0.292 28 G HA3 0.678 4.626 3.960 -0.019 0.000 0.292 28 G C -0.885 173.932 174.900 -0.138 0.000 1.415 28 G CA -0.363 44.697 45.100 -0.067 0.000 0.785 28 G HN 1.019 nan 8.290 nan 0.000 0.483 29 G N -0.847 107.890 108.800 -0.105 0.000 2.691 29 G HA2 0.599 4.547 3.960 -0.019 0.000 0.298 29 G HA3 0.599 4.547 3.960 -0.019 0.000 0.298 29 G C -1.620 173.323 174.900 0.071 0.000 1.471 29 G CA -0.662 44.359 45.100 -0.131 0.000 0.912 29 G HN 0.646 nan 8.290 nan 0.000 0.553 30 R N 1.577 122.161 120.500 0.141 0.000 2.531 30 R HA 0.539 4.868 4.340 -0.019 0.000 0.293 30 R C 0.854 177.254 176.300 0.166 0.000 1.124 30 R CA 0.613 56.798 56.100 0.142 0.000 0.945 30 R CB 0.986 31.328 30.300 0.071 0.000 1.195 30 R HN 2.177 nan 8.270 nan 0.000 0.433 31 G N 2.828 111.727 108.800 0.165 0.000 2.565 31 G HA2 -0.426 3.523 3.960 -0.019 0.000 0.295 31 G HA3 -0.426 3.523 3.960 -0.019 0.000 0.295 31 G C 0.394 175.379 174.900 0.141 0.000 1.165 31 G CA 0.360 45.529 45.100 0.114 0.000 0.977 31 G HN 0.853 nan 8.290 nan 0.000 0.546 32 A N 0.318 123.208 122.820 0.117 0.000 2.415 32 A HA 0.638 4.946 4.320 -0.019 0.000 0.248 32 A C 1.028 178.725 177.584 0.189 0.000 1.299 32 A CA 0.767 52.880 52.037 0.127 0.000 0.899 32 A CB 0.022 19.056 19.000 0.057 0.000 0.997 32 A HN 0.541 nan 8.150 nan 0.000 0.506 33 R N -0.439 120.189 120.500 0.213 0.000 2.494 33 R HA 0.627 4.956 4.340 -0.019 0.000 0.305 33 R C -1.183 175.160 176.300 0.071 0.000 0.959 33 R CA -0.370 55.804 56.100 0.123 0.000 0.864 33 R CB 1.698 32.037 30.300 0.064 0.000 1.159 33 R HN 0.299 nan 8.270 nan 0.000 0.446 34 L N 4.510 125.731 121.223 -0.004 0.000 2.312 34 L HA 0.480 4.808 4.340 -0.019 0.000 0.281 34 L C -0.189 176.647 176.870 -0.056 0.000 1.070 34 L CA -0.466 54.306 54.840 -0.113 0.000 0.805 34 L CB 1.080 43.077 42.059 -0.104 0.000 1.174 34 L HN 0.469 nan 8.230 nan 0.000 0.434 35 I N 2.652 123.181 120.570 -0.068 0.000 2.330 35 I HA 0.238 4.396 4.170 -0.019 0.000 0.289 35 I C 0.390 176.494 176.117 -0.020 0.000 1.001 35 I CA -0.443 60.837 61.300 -0.034 0.000 1.193 35 I CB 1.120 39.104 38.000 -0.027 0.000 1.345 35 I HN 0.641 nan 8.210 nan 0.000 0.461 36 E N 4.442 124.643 120.200 0.001 0.000 2.392 36 E HA -0.005 4.334 4.350 -0.019 0.000 0.256 36 E C 0.900 177.513 176.600 0.023 0.000 1.145 36 E CA -0.114 56.302 56.400 0.028 0.000 0.929 36 E CB 1.149 30.879 29.700 0.050 0.000 0.998 36 E HN 0.620 nan 8.360 nan 0.000 0.442 37 E N 1.674 121.897 120.200 0.039 0.000 2.038 37 E HA -0.274 4.064 4.350 -0.019 0.000 0.195 37 E C 1.387 178.002 176.600 0.026 0.000 1.000 37 E CA 1.832 58.252 56.400 0.033 0.000 0.803 37 E CB -0.113 29.616 29.700 0.047 0.000 0.750 37 E HN 0.527 nan 8.360 nan 0.000 0.448 38 N N -0.737 117.982 118.700 0.031 0.000 2.651 38 N HA -0.068 4.660 4.740 -0.019 0.000 0.193 38 N C 1.143 176.656 175.510 0.004 0.000 1.149 38 N CA 1.445 54.506 53.050 0.020 0.000 0.933 38 N CB 0.226 38.726 38.487 0.022 0.000 0.974 38 N HN 0.348 nan 8.380 nan 0.000 0.448 39 G N -0.754 108.047 108.800 0.002 0.000 2.284 39 G HA2 -0.314 3.634 3.960 -0.019 0.000 0.216 39 G HA3 -0.314 3.634 3.960 -0.019 0.000 0.216 39 G C 0.138 175.029 174.900 -0.014 0.000 1.009 39 G CA -0.038 45.058 45.100 -0.006 0.000 0.625 39 G HN 0.592 nan 8.290 nan 0.000 0.501 40 R N 1.689 122.175 120.500 -0.023 0.000 2.543 40 R HA 0.442 4.770 4.340 -0.019 0.000 0.277 40 R C -0.143 176.137 176.300 -0.033 0.000 1.074 40 R CA 0.013 56.090 56.100 -0.038 0.000 1.076 40 R CB 0.248 30.507 30.300 -0.067 0.000 0.993 40 R HN 0.457 nan 8.270 nan 0.000 0.459 41 E N 3.232 123.412 120.200 -0.035 0.000 2.266 41 E HA 0.261 4.599 4.350 -0.019 0.000 0.277 41 E C -0.998 175.578 176.600 -0.040 0.000 1.018 41 E CA -0.619 55.764 56.400 -0.027 0.000 0.840 41 E CB 1.367 31.058 29.700 -0.015 0.000 1.082 41 E HN 0.287 nan 8.360 nan 0.000 0.395 42 L N 2.656 123.862 121.223 -0.029 0.000 2.381 42 L HA 0.422 4.750 4.340 -0.019 0.000 0.268 42 L C -0.500 176.364 176.870 -0.011 0.000 0.997 42 L CA -0.483 54.333 54.840 -0.039 0.000 0.818 42 L CB 1.547 43.582 42.059 -0.040 0.000 1.310 42 L HN 0.467 nan 8.230 nan 0.000 0.416 43 I N 1.863 122.422 120.570 -0.018 0.000 2.452 43 I HA 0.086 4.244 4.170 -0.019 0.000 0.287 43 I C -0.056 176.066 176.117 0.009 0.000 1.079 43 I CA 0.102 61.406 61.300 0.006 0.000 1.387 43 I CB 0.479 38.478 38.000 -0.001 0.000 1.404 43 I HN 0.509 nan 8.210 nan 0.000 0.522 44 D N 7.184 127.617 120.400 0.054 0.000 2.411 44 D HA 0.211 4.839 4.640 -0.019 0.000 0.225 44 D C 0.569 176.892 176.300 0.038 0.000 1.156 44 D CA 0.011 54.049 54.000 0.063 0.000 0.874 44 D CB 0.878 41.791 40.800 0.188 0.000 1.034 44 D HN 0.432 nan 8.370 nan 0.000 0.502 45 L N 2.315 123.536 121.223 -0.003 0.000 2.592 45 L HA 0.066 4.395 4.340 -0.019 0.000 0.227 45 L C 1.938 178.799 176.870 -0.014 0.000 1.127 45 L CA 0.003 54.865 54.840 0.036 0.000 0.884 45 L CB 0.115 42.244 42.059 0.117 0.000 1.065 45 L HN 0.264 nan 8.230 nan 0.000 0.457 46 S N -0.140 115.519 115.700 -0.068 0.000 2.427 46 S HA 0.095 4.554 4.470 -0.019 0.000 0.224 46 S C 1.485 176.062 174.600 -0.039 0.000 1.047 46 S CA 0.749 58.880 58.200 -0.116 0.000 0.953 46 S CB -0.003 63.102 63.200 -0.159 0.000 0.824 46 S HN 0.511 nan 8.310 nan 0.000 0.502 47 G N 1.348 110.168 108.800 0.032 0.000 2.323 47 G HA2 -0.031 3.918 3.960 -0.019 0.000 0.292 47 G HA3 -0.031 3.918 3.960 -0.019 0.000 0.292 47 G C 0.556 175.514 174.900 0.098 0.000 1.040 47 G CA 0.408 45.546 45.100 0.063 0.000 0.942 47 G HN 1.669 nan 8.290 nan 0.000 0.506 48 A N -1.475 121.408 122.820 0.105 0.000 2.610 48 A HA -0.036 4.272 4.320 -0.019 0.000 0.299 48 A C 1.235 178.958 177.584 0.233 0.000 1.487 48 A CA 1.617 53.738 52.037 0.139 0.000 0.743 48 A CB -2.124 17.010 19.000 0.224 0.000 1.070 48 A HN 2.201 nan 8.150 nan 0.000 0.439 49 W N -2.837 118.510 121.300 0.078 0.000 3.834 49 W HA -0.105 4.542 4.660 -0.022 0.000 0.320 49 W C 1.663 178.219 176.519 0.062 0.000 1.201 49 W CA 1.419 58.792 57.345 0.047 0.000 0.701 49 W CB -1.659 27.796 29.460 -0.009 0.000 2.264 49 W HN 2.514 nan 8.180 nan 0.000 1.413 50 G N -2.367 106.544 108.800 0.186 0.000 2.179 50 G HA2 -0.058 3.890 3.960 -0.019 0.000 0.220 50 G HA3 -0.058 3.890 3.960 -0.019 0.000 0.220 50 G C 1.081 176.053 174.900 0.120 0.000 0.990 50 G CA 0.563 45.747 45.100 0.139 0.000 0.646 50 G HN 1.196 nan 8.290 nan 0.000 0.517 51 A N 0.353 123.260 122.820 0.144 0.000 1.930 51 A HA 0.532 4.840 4.320 -0.019 0.000 0.217 51 A C 2.155 179.774 177.584 0.058 0.000 1.175 51 A CA 2.097 54.206 52.037 0.120 0.000 0.627 51 A CB -0.404 18.688 19.000 0.153 0.000 0.815 51 A HN 1.909 nan 8.150 nan 0.000 0.443 52 A N 0.849 123.680 122.820 0.018 0.000 3.074 52 A HA 0.418 4.726 4.320 -0.019 0.000 0.251 52 A C 1.655 179.147 177.584 -0.154 0.000 1.695 52 A CA 0.597 52.559 52.037 -0.126 0.000 1.343 52 A CB -1.035 17.775 19.000 -0.318 0.000 1.078 52 A HN 0.807 nan 8.150 nan 0.000 0.644 53 S N -0.116 115.539 115.700 -0.075 0.000 2.383 53 S HA -0.153 4.306 4.470 -0.019 0.000 0.229 53 S C 1.158 175.696 174.600 -0.104 0.000 1.030 53 S CA 1.376 59.538 58.200 -0.064 0.000 1.002 53 S CB -0.254 62.926 63.200 -0.033 0.000 0.829 53 S HN 0.386 nan 8.310 nan 0.000 0.467 54 L N 1.531 122.668 121.223 -0.144 0.000 2.667 54 L HA 0.454 4.783 4.340 -0.019 0.000 0.232 54 L C 1.386 178.191 176.870 -0.109 0.000 1.138 54 L CA 0.762 55.500 54.840 -0.169 0.000 0.921 54 L CB -0.485 41.386 42.059 -0.314 0.000 1.180 54 L HN 0.680 nan 8.230 nan 0.000 0.487 55 G N -0.928 107.729 108.800 -0.239 0.000 2.642 55 G HA2 -0.305 3.644 3.960 -0.019 0.000 0.231 55 G HA3 -0.305 3.644 3.960 -0.019 0.000 0.231 55 G C -0.636 173.992 174.900 -0.454 0.000 1.338 55 G CA -0.286 44.564 45.100 -0.417 0.000 0.883 55 G HN 0.073 nan 8.290 nan 0.000 0.570 56 Y N 0.418 120.761 120.300 0.072 0.000 2.341 56 Y HA 0.475 5.014 4.550 -0.018 0.000 0.337 56 Y C 1.307 177.246 175.900 0.066 0.000 1.014 56 Y CA 0.443 58.581 58.100 0.063 0.000 1.111 56 Y CB 1.744 40.232 38.460 0.047 0.000 1.194 56 Y HN 2.018 nan 8.280 nan 0.000 0.462 57 G N 1.396 110.317 108.800 0.202 0.000 2.179 57 G HA2 -0.370 3.579 3.960 -0.019 0.000 0.257 57 G HA3 -0.370 3.579 3.960 -0.019 0.000 0.257 57 G C -0.153 174.810 174.900 0.106 0.000 1.010 57 G CA 0.260 45.439 45.100 0.131 0.000 0.736 57 G HN 0.930 nan 8.290 nan 0.000 0.513 58 H N 0.773 119.862 119.070 0.032 0.000 3.034 58 H HA 0.283 4.827 4.556 -0.020 0.000 0.324 58 H C -0.417 174.921 175.328 0.017 0.000 1.015 58 H CA 0.046 56.102 56.048 0.013 0.000 1.429 58 H CB 0.880 30.638 29.762 -0.006 0.000 1.429 58 H HN 0.110 nan 8.280 nan 0.000 0.585 59 P HA -0.235 nan 4.420 nan 0.000 0.216 59 P C 0.946 178.309 177.300 0.104 0.000 1.150 59 P CA 2.154 65.227 63.100 -0.046 0.000 0.843 59 P CB 0.054 31.669 31.700 -0.143 0.000 0.787 60 A N -0.700 122.311 122.820 0.319 0.000 1.930 60 A HA -0.161 4.147 4.320 -0.019 0.000 0.217 60 A C 2.167 179.836 177.584 0.142 0.000 1.175 60 A CA 1.313 53.490 52.037 0.233 0.000 0.627 60 A CB -1.378 17.768 19.000 0.242 0.000 0.815 60 A HN 0.043 nan 8.150 nan 0.000 0.443 61 I N -0.046 120.621 120.570 0.162 0.000 2.202 61 I HA -0.165 3.994 4.170 -0.019 0.000 0.242 61 I C 2.535 178.696 176.117 0.073 0.000 1.091 61 I CA 1.178 62.529 61.300 0.085 0.000 1.368 61 I CB -1.214 36.834 38.000 0.078 0.000 1.058 61 I HN 0.147 nan 8.210 nan 0.000 0.410 62 V N 1.539 121.502 119.914 0.082 0.000 2.287 62 V HA -0.287 3.821 4.120 -0.019 0.000 0.248 62 V C 2.859 178.978 176.094 0.043 0.000 1.053 62 V CA 1.976 64.309 62.300 0.056 0.000 1.027 62 V CB -1.292 30.560 31.823 0.049 0.000 0.646 62 V HN 0.458 nan 8.190 nan 0.000 0.447 63 A N -0.069 122.778 122.820 0.045 0.000 1.877 63 A HA -0.113 4.196 4.320 -0.019 0.000 0.216 63 A C 2.410 180.012 177.584 0.029 0.000 1.186 63 A CA 2.290 54.347 52.037 0.034 0.000 0.620 63 A CB -0.818 18.203 19.000 0.035 0.000 0.822 63 A HN 0.587 nan 8.150 nan 0.000 0.443 64 A N -0.774 122.065 122.820 0.033 0.000 1.872 64 A HA 0.065 4.373 4.320 -0.019 0.000 0.214 64 A C 2.236 179.829 177.584 0.016 0.000 1.187 64 A CA 1.670 53.721 52.037 0.022 0.000 0.614 64 A CB -0.889 18.123 19.000 0.021 0.000 0.826 64 A HN 0.369 nan 8.150 nan 0.000 0.442 65 V N 0.024 119.951 119.914 0.021 0.000 2.358 65 V HA -0.201 3.908 4.120 -0.019 0.000 0.246 65 V C 2.801 178.904 176.094 0.016 0.000 1.047 65 V CA 2.296 64.607 62.300 0.018 0.000 1.035 65 V CB -0.773 31.065 31.823 0.026 0.000 0.658 65 V HN 0.554 nan 8.190 nan 0.000 0.452 66 S N 0.437 116.148 115.700 0.019 0.000 2.356 66 S HA -0.173 4.286 4.470 -0.019 0.000 0.223 66 S C 2.238 176.844 174.600 0.011 0.000 1.032 66 S CA 1.461 59.671 58.200 0.015 0.000 1.005 66 S CB -0.549 62.661 63.200 0.017 0.000 0.867 66 S HN 0.645 nan 8.310 nan 0.000 0.449 67 A N 1.627 124.453 122.820 0.011 0.000 1.902 67 A HA 0.097 4.405 4.320 -0.019 0.000 0.217 67 A C 2.358 179.945 177.584 0.004 0.000 1.181 67 A CA 1.750 53.792 52.037 0.008 0.000 0.623 67 A CB -1.104 17.901 19.000 0.009 0.000 0.818 67 A HN 0.516 nan 8.150 nan 0.000 0.443 68 A N -0.118 122.704 122.820 0.003 0.000 1.877 68 A HA 0.170 4.479 4.320 -0.019 0.000 0.216 68 A C 2.513 180.096 177.584 -0.002 0.000 1.186 68 A CA 2.071 54.106 52.037 -0.003 0.000 0.620 68 A CB -1.069 17.926 19.000 -0.007 0.000 0.822 68 A HN 1.101 nan 8.150 nan 0.000 0.443 69 A N -0.268 122.553 122.820 0.002 0.000 1.978 69 A HA 0.149 4.458 4.320 -0.019 0.000 0.220 69 A C 2.412 179.997 177.584 0.002 0.000 1.170 69 A CA 2.047 54.086 52.037 0.002 0.000 0.636 69 A CB -0.820 18.183 19.000 0.005 0.000 0.810 69 A HN 1.050 nan 8.150 nan 0.000 0.448 70 A N -1.044 121.778 122.820 0.003 0.000 1.968 70 A HA 0.025 4.334 4.320 -0.019 0.000 0.217 70 A C 1.142 178.727 177.584 0.002 0.000 1.169 70 A CA 1.481 53.520 52.037 0.003 0.000 0.638 70 A CB -0.174 18.828 19.000 0.004 0.000 0.812 70 A HN 0.498 nan 8.150 nan 0.000 0.446 71 N N -0.237 118.463 118.700 0.000 0.000 2.716 71 N HA 0.244 4.973 4.740 -0.019 0.000 0.245 71 N C -3.288 172.220 175.510 -0.003 0.000 1.495 71 N CA -1.519 51.530 53.050 -0.001 0.000 0.759 71 N CB 1.068 39.555 38.487 0.001 0.000 1.261 71 N HN 0.028 nan 8.380 nan 0.000 0.515 72 P HA 0.241 nan 4.420 nan 0.000 0.282 72 P C -0.411 176.884 177.300 -0.008 0.000 1.262 72 P CA -0.416 62.679 63.100 -0.008 0.000 0.773 72 P CB 1.168 32.864 31.700 -0.007 0.000 0.879 73 A N 3.557 126.370 122.820 -0.012 0.000 3.052 73 A HA 0.488 4.796 4.320 -0.019 0.000 0.266 73 A C 1.259 178.836 177.584 -0.012 0.000 1.855 73 A CA 0.591 52.621 52.037 -0.011 0.000 1.473 73 A CB -1.793 17.198 19.000 -0.014 0.000 1.038 73 A HN 0.899 nan 8.150 nan 0.000 0.619 74 G N 0.190 108.985 108.800 -0.008 0.000 2.539 74 G HA2 0.167 4.115 3.960 -0.019 0.000 0.256 74 G HA3 0.167 4.115 3.960 -0.019 0.000 0.256 74 G C 0.702 175.597 174.900 -0.008 0.000 1.233 74 G CA 0.209 45.305 45.100 -0.006 0.000 0.936 74 G HN 1.939 nan 8.290 nan 0.000 0.571 75 A N -1.919 120.897 122.820 -0.006 0.000 2.701 75 A HA 0.725 5.033 4.320 -0.019 0.000 0.241 75 A C 0.644 178.227 177.584 -0.002 0.000 1.231 75 A CA 1.923 53.958 52.037 -0.004 0.000 1.003 75 A CB 0.658 19.659 19.000 0.001 0.000 1.281 75 A HN 2.042 nan 8.150 nan 0.000 0.600 76 T N -1.659 112.891 114.554 -0.005 0.000 2.843 76 T HA 0.523 4.861 4.350 -0.019 0.000 0.302 76 T C -0.519 174.178 174.700 -0.006 0.000 1.232 76 T CA -0.060 62.039 62.100 -0.002 0.000 1.009 76 T CB 1.410 70.281 68.868 0.006 0.000 1.254 76 T HN 0.273 nan 8.240 nan 0.000 0.504 77 I N 2.356 122.927 120.570 0.002 0.000 4.139 77 I HA 0.403 4.561 4.170 -0.019 0.000 0.335 77 I C 1.513 177.648 176.117 0.029 0.000 1.327 77 I CA 0.243 61.552 61.300 0.016 0.000 1.112 77 I CB -0.025 37.995 38.000 0.034 0.000 1.058 77 I HN 0.650 nan 8.210 nan 0.000 0.396 78 L N -0.000 121.239 121.223 0.027 0.000 2.005 78 L HA -0.109 4.219 4.340 -0.019 0.000 0.207 78 L C 2.011 178.902 176.870 0.034 0.000 1.072 78 L CA 1.847 56.709 54.840 0.036 0.000 0.744 78 L CB -0.972 41.106 42.059 0.031 0.000 0.895 78 L HN 0.385 nan 8.230 nan 0.000 0.433 79 S N -1.772 113.942 115.700 0.024 0.000 2.539 79 S HA 0.559 5.018 4.470 -0.019 0.000 0.221 79 S C 0.422 175.033 174.600 0.019 0.000 0.987 79 S CA -0.045 58.168 58.200 0.022 0.000 0.929 79 S CB 0.623 63.833 63.200 0.017 0.000 0.832 79 S HN 0.294 nan 8.310 nan 0.000 0.492 80 A N 0.947 123.778 122.820 0.019 0.000 2.574 80 A HA 0.749 5.058 4.320 -0.019 0.000 0.297 80 A C -0.419 177.176 177.584 0.019 0.000 1.062 80 A CA -0.542 51.505 52.037 0.016 0.000 0.686 80 A CB 1.302 20.308 19.000 0.011 0.000 1.285 80 A HN 0.163 nan 8.150 nan 0.000 0.403 81 S N 0.380 116.092 115.700 0.020 0.000 2.565 81 S HA 0.519 4.977 4.470 -0.019 0.000 0.276 81 S C -0.040 174.569 174.600 0.014 0.000 1.326 81 S CA -0.038 58.176 58.200 0.024 0.000 1.045 81 S CB -0.124 63.092 63.200 0.026 0.000 0.918 81 S HN 1.259 nan 8.310 nan 0.000 0.505 82 N N 2.131 120.837 118.700 0.010 0.000 2.235 82 N HA 0.629 5.358 4.740 -0.019 0.000 0.293 82 N C 0.325 175.833 175.510 -0.004 0.000 1.083 82 N CA -0.403 52.645 53.050 -0.003 0.000 0.801 82 N CB 1.335 39.811 38.487 -0.017 0.000 1.559 82 N HN 0.408 nan 8.380 nan 0.000 0.472 83 A N 1.952 124.771 122.820 -0.003 0.000 1.877 83 A HA 0.039 4.348 4.320 -0.019 0.000 0.216 83 A C -0.579 177.002 177.584 -0.006 0.000 1.186 83 A CA 1.592 53.630 52.037 0.003 0.000 0.620 83 A CB -1.646 17.356 19.000 0.004 0.000 0.822 83 A HN 0.756 nan 8.150 nan 0.000 0.443 84 P HA -0.177 nan 4.420 nan 0.000 0.215 84 P C 1.754 179.005 177.300 -0.081 0.000 1.157 84 P CA 2.171 65.242 63.100 -0.048 0.000 0.874 84 P CB -0.183 31.478 31.700 -0.065 0.000 0.790 85 A N -0.799 121.946 122.820 -0.124 0.000 1.933 85 A HA -0.146 4.162 4.320 -0.019 0.000 0.218 85 A C 2.358 179.976 177.584 0.057 0.000 1.175 85 A CA 1.826 53.738 52.037 -0.209 0.000 0.628 85 A CB -1.664 17.195 19.000 -0.234 0.000 0.814 85 A HN 0.051 nan 8.150 nan 0.000 0.444 86 V N -0.447 119.510 119.914 0.073 0.000 2.379 86 V HA -0.192 3.916 4.120 -0.019 0.000 0.245 86 V C 2.722 178.877 176.094 0.102 0.000 1.044 86 V CA 2.374 64.740 62.300 0.110 0.000 1.036 86 V CB -1.215 30.649 31.823 0.069 0.000 0.664 86 V HN 0.591 nan 8.190 nan 0.000 0.453 87 T N 0.722 115.314 114.554 0.063 0.000 2.720 87 T HA -0.198 4.140 4.350 -0.019 0.000 0.268 87 T C 1.882 176.632 174.700 0.084 0.000 1.037 87 T CA 1.905 64.040 62.100 0.058 0.000 1.144 87 T CB -0.327 68.560 68.868 0.032 0.000 0.864 87 T HN 0.308 nan 8.240 nan 0.000 0.444 88 L N 1.372 122.652 121.223 0.095 0.000 2.056 88 L HA 0.192 4.521 4.340 -0.019 0.000 0.207 88 L C 2.588 179.618 176.870 0.266 0.000 1.078 88 L CA 1.747 56.675 54.840 0.148 0.000 0.749 88 L CB -1.109 40.996 42.059 0.075 0.000 0.901 88 L HN 0.198 nan 8.230 nan 0.000 0.433 89 A N -0.460 122.584 122.820 0.375 0.000 1.883 89 A HA -0.261 4.048 4.320 -0.019 0.000 0.217 89 A C 2.170 179.830 177.584 0.128 0.000 1.186 89 A CA 2.040 54.228 52.037 0.252 0.000 0.624 89 A CB -0.735 18.396 19.000 0.218 0.000 0.822 89 A HN 0.617 nan 8.150 nan 0.000 0.444 90 E N -1.157 119.114 120.200 0.117 0.000 2.110 90 E HA -0.206 4.133 4.350 -0.019 0.000 0.193 90 E C 2.284 178.939 176.600 0.091 0.000 0.988 90 E CA 1.220 57.673 56.400 0.088 0.000 0.804 90 E CB -0.121 29.624 29.700 0.074 0.000 0.745 90 E HN 0.472 nan 8.360 nan 0.000 0.458 91 R N 0.902 121.462 120.500 0.100 0.000 2.081 91 R HA -0.094 4.235 4.340 -0.019 0.000 0.235 91 R C 2.066 178.436 176.300 0.117 0.000 1.131 91 R CA 1.121 57.279 56.100 0.097 0.000 0.960 91 R CB -0.321 30.033 30.300 0.090 0.000 0.856 91 R HN 0.157 nan 8.270 nan 0.000 0.436 92 L N -0.356 120.945 121.223 0.131 0.000 2.072 92 L HA -0.114 4.215 4.340 -0.019 0.000 0.205 92 L C 2.188 179.141 176.870 0.138 0.000 1.079 92 L CA 0.995 55.919 54.840 0.140 0.000 0.752 92 L CB -0.344 41.783 42.059 0.114 0.000 0.906 92 L HN 0.217 nan 8.230 nan 0.000 0.436 93 L N -0.483 120.803 121.223 0.105 0.000 2.083 93 L HA -0.180 4.149 4.340 -0.019 0.000 0.209 93 L C 2.861 179.820 176.870 0.148 0.000 1.083 93 L CA 1.066 55.974 54.840 0.115 0.000 0.752 93 L CB -0.737 41.373 42.059 0.086 0.000 0.899 93 L HN 0.236 nan 8.230 nan 0.000 0.433 94 A N 0.094 122.988 122.820 0.123 0.000 1.933 94 A HA -0.221 4.087 4.320 -0.019 0.000 0.218 94 A C 2.479 180.142 177.584 0.131 0.000 1.175 94 A CA 1.987 54.089 52.037 0.108 0.000 0.628 94 A CB -0.619 18.431 19.000 0.082 0.000 0.814 94 A HN 0.519 nan 8.150 nan 0.000 0.444 95 S N -2.327 113.482 115.700 0.181 0.000 2.522 95 S HA 0.167 4.626 4.470 -0.019 0.000 0.227 95 S C 0.273 175.091 174.600 0.365 0.000 0.986 95 S CA -0.036 58.310 58.200 0.244 0.000 0.929 95 S CB -0.355 63.014 63.200 0.281 0.000 0.769 95 S HN 0.372 nan 8.310 nan 0.000 0.529 96 F N 2.453 122.467 119.950 0.108 0.000 2.508 96 F HA 0.590 5.106 4.527 -0.019 0.000 0.325 96 F C -2.793 172.990 175.800 -0.029 0.000 1.090 96 F CA -2.676 55.332 58.000 0.014 0.000 0.945 96 F CB 1.693 40.628 39.000 -0.107 0.000 1.156 96 F HN -0.136 nan 8.300 nan 0.000 0.463 97 P HA 0.225 nan 4.420 nan 0.000 0.226 97 P C -0.321 176.851 177.300 -0.213 0.000 1.783 97 P CA 0.261 63.146 63.100 -0.359 0.000 0.980 97 P CB -0.072 31.381 31.700 -0.411 0.000 1.967 98 G N 1.204 110.070 108.800 0.111 0.000 4.855 98 G HA2 0.128 4.077 3.960 -0.019 0.000 0.275 98 G HA3 0.128 4.077 3.960 -0.019 0.000 0.275 98 G C -0.386 174.639 174.900 0.208 0.000 1.282 98 G CA -0.412 44.812 45.100 0.206 0.000 0.930 98 G HN 0.114 nan 8.290 nan 0.000 0.575 99 E N 0.676 120.954 120.200 0.129 0.000 2.217 99 E HA 0.401 4.739 4.350 -0.019 0.000 0.279 99 E C 1.182 177.837 176.600 0.092 0.000 1.068 99 E CA -0.248 56.211 56.400 0.097 0.000 0.882 99 E CB 0.929 30.667 29.700 0.063 0.000 1.039 99 E HN 0.786 nan 8.360 nan 0.000 0.418 100 G N 3.668 112.517 108.800 0.083 0.000 2.284 100 G HA2 -0.427 3.521 3.960 -0.019 0.000 0.261 100 G HA3 -0.427 3.521 3.960 -0.019 0.000 0.261 100 G C 1.027 175.963 174.900 0.061 0.000 0.997 100 G CA 1.066 46.202 45.100 0.060 0.000 0.621 100 G HN 0.730 nan 8.290 nan 0.000 0.534 101 T N -3.241 111.383 114.554 0.117 0.000 3.039 101 T HA 0.405 4.744 4.350 -0.019 0.000 0.250 101 T C 0.914 175.610 174.700 -0.006 0.000 1.052 101 T CA 1.225 63.382 62.100 0.094 0.000 1.125 101 T CB 0.302 69.292 68.868 0.204 0.000 0.908 101 T HN 0.521 nan 8.240 nan 0.000 0.473 102 H N 0.294 119.372 119.070 0.013 0.000 2.616 102 H HA 0.827 5.371 4.556 -0.019 0.000 0.353 102 H C -0.312 174.986 175.328 -0.049 0.000 1.170 102 H CA -0.654 55.373 56.048 -0.035 0.000 1.212 102 H CB 1.666 31.391 29.762 -0.060 0.000 1.653 102 H HN 0.143 nan 8.280 nan 0.000 0.537 103 K N 0.853 121.255 120.400 0.003 0.000 2.399 103 K HA 0.511 4.819 4.320 -0.019 0.000 0.260 103 K C -1.139 175.419 176.600 -0.071 0.000 1.049 103 K CA -0.909 55.362 56.287 -0.026 0.000 0.890 103 K CB 2.185 34.665 32.500 -0.034 0.000 1.430 103 K HN 0.268 nan 8.250 nan 0.000 0.459 104 I N 0.667 121.168 120.570 -0.115 0.000 2.530 104 I HA 0.329 4.487 4.170 -0.019 0.000 0.297 104 I C -1.079 174.904 176.117 -0.224 0.000 1.011 104 I CA -0.629 60.522 61.300 -0.249 0.000 1.107 104 I CB 1.418 39.144 38.000 -0.456 0.000 1.285 104 I HN 0.699 nan 8.210 nan 0.000 0.436 105 W N 6.578 127.618 121.300 -0.433 0.000 2.600 105 W HA 0.607 5.255 4.660 -0.020 0.000 0.325 105 W C -1.705 174.543 176.519 -0.451 0.000 1.034 105 W CA -0.590 56.552 57.345 -0.338 0.000 1.226 105 W CB 1.325 30.682 29.460 -0.171 0.000 1.379 105 W HN 0.220 nan 8.180 nan 0.000 0.466 106 F N 4.755 124.268 119.950 -0.730 0.000 2.404 106 F HA 0.723 5.238 4.527 -0.020 0.000 0.339 106 F C 1.025 175.856 175.800 -1.615 0.000 1.105 106 F CA -0.215 57.326 58.000 -0.766 0.000 1.087 106 F CB 1.560 40.280 39.000 -0.466 0.000 1.143 106 F HN 0.452 nan 8.300 nan 0.000 0.491 107 G N 0.586 108.919 108.800 -0.779 0.000 3.105 107 G HA2 0.267 4.216 3.960 -0.019 0.000 0.277 107 G HA3 0.267 4.216 3.960 -0.019 0.000 0.277 107 G C -0.142 174.613 174.900 -0.242 0.000 1.375 107 G CA -0.405 44.170 45.100 -0.876 0.000 0.962 107 G HN 0.627 nan 8.290 nan 0.000 0.541 108 H N -0.901 118.262 119.070 0.156 0.000 2.520 108 H HA 0.235 4.780 4.556 -0.018 0.000 0.279 108 H C 1.110 176.534 175.328 0.160 0.000 0.990 108 H CA 1.103 57.256 56.048 0.174 0.000 1.288 108 H CB 0.578 30.458 29.762 0.197 0.000 1.446 108 H HN 0.496 nan 8.280 nan 0.000 0.538 109 S N -1.934 113.947 115.700 0.302 0.000 2.625 109 S HA 0.421 4.880 4.470 -0.019 0.000 0.271 109 S C 1.257 176.001 174.600 0.241 0.000 1.161 109 S CA -0.359 57.987 58.200 0.244 0.000 0.820 109 S CB 1.449 64.781 63.200 0.220 0.000 1.137 109 S HN 0.117 nan 8.310 nan 0.000 0.470 110 G N 1.200 110.126 108.800 0.211 0.000 2.442 110 G HA2 -0.106 3.842 3.960 -0.019 0.000 0.219 110 G HA3 -0.106 3.842 3.960 -0.019 0.000 0.219 110 G C 1.227 176.233 174.900 0.177 0.000 1.141 110 G CA 1.185 46.410 45.100 0.208 0.000 0.763 110 G HN 0.748 nan 8.290 nan 0.000 0.554 111 S N 1.585 117.368 115.700 0.138 0.000 2.348 111 S HA -0.159 4.300 4.470 -0.019 0.000 0.221 111 S C 2.139 176.815 174.600 0.126 0.000 1.033 111 S CA 1.678 59.925 58.200 0.078 0.000 1.010 111 S CB -0.396 62.833 63.200 0.047 0.000 0.891 111 S HN 0.744 nan 8.310 nan 0.000 0.442 112 D N 2.111 122.636 120.400 0.209 0.000 2.178 112 D HA 0.034 4.662 4.640 -0.019 0.000 0.202 112 D C 1.792 178.232 176.300 0.234 0.000 0.974 112 D CA 1.150 55.318 54.000 0.279 0.000 0.841 112 D CB -0.561 40.496 40.800 0.429 0.000 0.953 112 D HN 0.365 nan 8.370 nan 0.000 0.478 113 A N 0.851 123.831 122.820 0.267 0.000 1.855 113 A HA -0.198 4.111 4.320 -0.019 0.000 0.215 113 A C 2.184 179.773 177.584 0.007 0.000 1.191 113 A CA 1.491 53.615 52.037 0.144 0.000 0.613 113 A CB -0.656 18.526 19.000 0.303 0.000 0.829 113 A HN 0.165 nan 8.150 nan 0.000 0.442 114 N N -0.302 118.490 118.700 0.153 0.000 2.120 114 N HA -0.181 4.547 4.740 -0.019 0.000 0.188 114 N C 1.779 177.454 175.510 0.275 0.000 1.024 114 N CA 1.537 54.753 53.050 0.278 0.000 0.852 114 N CB -0.420 38.262 38.487 0.324 0.000 1.003 114 N HN 0.769 nan 8.380 nan 0.000 0.424 115 E N 0.824 121.120 120.200 0.160 0.000 2.070 115 E HA -0.186 4.152 4.350 -0.019 0.000 0.197 115 E C 1.813 178.457 176.600 0.074 0.000 1.004 115 E CA 1.448 57.938 56.400 0.150 0.000 0.805 115 E CB -0.065 29.683 29.700 0.081 0.000 0.744 115 E HN 0.316 nan 8.360 nan 0.000 0.451 116 A N 1.105 123.830 122.820 -0.159 0.000 1.902 116 A HA -0.088 4.220 4.320 -0.019 0.000 0.217 116 A C 2.417 179.821 177.584 -0.299 0.000 1.181 116 A CA 1.903 53.685 52.037 -0.425 0.000 0.623 116 A CB -0.843 17.323 19.000 -1.390 0.000 0.818 116 A HN 0.453 nan 8.150 nan 0.000 0.443 117 A N -1.309 121.392 122.820 -0.198 0.000 1.883 117 A HA -0.138 4.170 4.320 -0.019 0.000 0.217 117 A C 2.176 179.796 177.584 0.059 0.000 1.186 117 A CA 1.790 53.782 52.037 -0.075 0.000 0.624 117 A CB -0.908 18.099 19.000 0.011 0.000 0.822 117 A HN 0.721 nan 8.150 nan 0.000 0.444 118 Y N 0.616 120.970 120.300 0.089 0.000 2.114 118 Y HA -0.205 4.333 4.550 -0.019 0.000 0.284 118 Y C 2.548 178.474 175.900 0.042 0.000 1.143 118 Y CA 2.046 60.178 58.100 0.053 0.000 1.135 118 Y CB -0.419 38.028 38.460 -0.022 0.000 0.980 118 Y HN 0.249 nan 8.280 nan 0.000 0.499 119 R N -0.108 120.378 120.500 -0.023 0.000 2.103 119 R HA -0.219 4.110 4.340 -0.019 0.000 0.242 119 R C 2.468 178.805 176.300 0.061 0.000 1.142 119 R CA 1.439 57.544 56.100 0.009 0.000 0.960 119 R CB -0.795 29.583 30.300 0.131 0.000 0.858 119 R HN 0.465 nan 8.270 nan 0.000 0.439 120 A N 1.091 123.920 122.820 0.014 0.000 1.898 120 A HA -0.117 4.191 4.320 -0.019 0.000 0.216 120 A C 2.170 179.634 177.584 -0.201 0.000 1.181 120 A CA 1.082 53.038 52.037 -0.135 0.000 0.620 120 A CB -0.418 18.487 19.000 -0.159 0.000 0.819 120 A HN 0.172 nan 8.150 nan 0.000 0.442 121 I N -0.336 120.122 120.570 -0.187 0.000 2.163 121 I HA -0.246 3.912 4.170 -0.019 0.000 0.243 121 I C 2.369 178.355 176.117 -0.218 0.000 1.085 121 I CA 1.373 62.560 61.300 -0.189 0.000 1.347 121 I CB -0.319 37.593 38.000 -0.146 0.000 1.044 121 I HN 0.164 nan 8.210 nan 0.000 0.408 122 V N 0.570 120.297 119.914 -0.312 0.000 2.343 122 V HA -0.281 3.827 4.120 -0.019 0.000 0.247 122 V C 2.546 178.534 176.094 -0.177 0.000 1.051 122 V CA 1.665 63.799 62.300 -0.276 0.000 1.036 122 V CB -0.736 30.847 31.823 -0.400 0.000 0.654 122 V HN 0.365 nan 8.190 nan 0.000 0.451 123 K N 0.245 120.538 120.400 -0.178 0.000 2.057 123 K HA -0.108 4.200 4.320 -0.019 0.000 0.207 123 K C 2.194 178.667 176.600 -0.212 0.000 1.049 123 K CA 1.687 57.851 56.287 -0.204 0.000 0.931 123 K CB -0.376 31.863 32.500 -0.434 0.000 0.714 123 K HN 0.459 nan 8.250 nan 0.000 0.440 124 A N 0.197 122.886 122.820 -0.220 0.000 1.930 124 A HA -0.093 4.216 4.320 -0.019 0.000 0.215 124 A C 1.998 179.500 177.584 -0.137 0.000 1.176 124 A CA 2.156 54.083 52.037 -0.184 0.000 0.632 124 A CB -0.400 18.490 19.000 -0.184 0.000 0.819 124 A HN 0.518 nan 8.150 nan 0.000 0.445 125 T N -5.981 108.496 114.554 -0.128 0.000 2.971 125 T HA 0.414 4.753 4.350 -0.019 0.000 0.252 125 T C 1.473 176.124 174.700 -0.082 0.000 1.022 125 T CA 1.129 63.170 62.100 -0.099 0.000 0.980 125 T CB 0.284 69.095 68.868 -0.094 0.000 1.044 125 T HN 1.655 nan 8.240 nan 0.000 0.501 126 G N 1.858 110.605 108.800 -0.088 0.000 2.189 126 G HA2 -0.298 3.651 3.960 -0.019 0.000 0.267 126 G HA3 -0.298 3.651 3.960 -0.019 0.000 0.267 126 G C 0.158 175.024 174.900 -0.056 0.000 0.975 126 G CA 0.151 45.211 45.100 -0.067 0.000 0.644 126 G HN 0.672 nan 8.290 nan 0.000 0.537 127 R N 0.740 121.201 120.500 -0.064 0.000 2.204 127 R HA 0.506 4.834 4.340 -0.019 0.000 0.341 127 R C 1.541 177.819 176.300 -0.037 0.000 1.035 127 R CA 0.430 56.505 56.100 -0.041 0.000 0.887 127 R CB 0.901 31.178 30.300 -0.038 0.000 1.114 127 R HN 0.338 nan 8.270 nan 0.000 0.473 128 S N 0.705 116.405 115.700 -0.001 0.000 2.517 128 S HA 0.095 4.554 4.470 -0.019 0.000 0.214 128 S C 1.073 175.773 174.600 0.166 0.000 0.991 128 S CA -0.217 58.014 58.200 0.051 0.000 0.906 128 S CB 0.571 63.801 63.200 0.050 0.000 0.789 128 S HN 0.535 nan 8.310 nan 0.000 0.513 129 G N 1.029 109.884 108.800 0.092 0.000 2.491 129 G HA2 0.503 4.452 3.960 -0.019 0.000 0.242 129 G HA3 0.503 4.452 3.960 -0.019 0.000 0.242 129 G C -0.903 174.047 174.900 0.082 0.000 1.266 129 G CA -0.225 44.920 45.100 0.074 0.000 0.844 129 G HN 0.339 nan 8.290 nan 0.000 0.571 130 V N 2.470 122.410 119.914 0.044 0.000 2.841 130 V HA 0.437 4.546 4.120 -0.019 0.000 0.310 130 V C -0.274 175.820 176.094 0.000 0.000 1.090 130 V CA -0.613 61.699 62.300 0.020 0.000 0.930 130 V CB 2.089 33.850 31.823 -0.102 0.000 1.014 130 V HN 0.668 nan 8.190 nan 0.000 0.425 131 I N 3.156 123.738 120.570 0.020 0.000 2.404 131 I HA 0.853 5.012 4.170 -0.019 0.000 0.293 131 I C 0.169 176.295 176.117 0.015 0.000 0.992 131 I CA -0.272 61.024 61.300 -0.006 0.000 1.149 131 I CB 1.785 39.791 38.000 0.011 0.000 1.315 131 I HN 0.768 nan 8.210 nan 0.000 0.446 132 A N 5.516 128.296 122.820 -0.067 0.000 2.594 132 A HA 0.821 5.129 4.320 -0.019 0.000 0.291 132 A C -1.456 176.016 177.584 -0.188 0.000 1.105 132 A CA -0.483 51.562 52.037 0.015 0.000 0.694 132 A CB 1.076 20.192 19.000 0.193 0.000 1.291 132 A HN 0.475 nan 8.150 nan 0.000 0.410 133 F N 0.893 120.963 119.950 0.200 0.000 2.399 133 F HA 0.592 5.107 4.527 -0.020 0.000 0.334 133 F C 1.121 176.969 175.800 0.079 0.000 1.097 133 F CA 0.038 58.119 58.000 0.134 0.000 1.076 133 F CB 1.726 40.859 39.000 0.222 0.000 1.162 133 F HN 0.734 nan 8.300 nan 0.000 0.495 134 A N 1.747 124.696 122.820 0.215 0.000 2.520 134 A HA 0.421 4.730 4.320 -0.019 0.000 0.245 134 A C 1.190 178.825 177.584 0.085 0.000 1.072 134 A CA 0.582 52.683 52.037 0.107 0.000 0.761 134 A CB -0.782 18.260 19.000 0.069 0.000 1.004 134 A HN 1.558 nan 8.150 nan 0.000 0.499 135 G N 0.753 109.566 108.800 0.023 0.000 2.176 135 G HA2 0.133 4.081 3.960 -0.019 0.000 0.253 135 G HA3 0.133 4.081 3.960 -0.019 0.000 0.253 135 G C 0.639 175.505 174.900 -0.056 0.000 0.979 135 G CA 0.448 45.529 45.100 -0.031 0.000 0.641 135 G HN 2.245 nan 8.290 nan 0.000 0.530 136 A N -0.328 122.478 122.820 -0.024 0.000 2.498 136 A HA 0.512 4.821 4.320 -0.019 0.000 0.239 136 A C -0.251 177.215 177.584 -0.197 0.000 1.068 136 A CA 0.486 52.449 52.037 -0.124 0.000 0.766 136 A CB 0.284 19.247 19.000 -0.061 0.000 1.003 136 A HN 1.386 nan 8.150 nan 0.000 0.497 137 Y N 2.532 122.591 120.300 -0.402 0.000 2.345 137 Y HA 0.418 4.956 4.550 -0.020 0.000 0.331 137 Y C 0.469 176.144 175.900 -0.376 0.000 0.959 137 Y CA -0.482 57.427 58.100 -0.319 0.000 1.204 137 Y CB 0.903 39.253 38.460 -0.184 0.000 1.135 137 Y HN 0.795 nan 8.280 nan 0.000 0.477 138 H N 3.546 122.348 119.070 -0.447 0.000 2.755 138 H HA 0.487 5.031 4.556 -0.019 0.000 0.273 138 H C 0.744 175.790 175.328 -0.471 0.000 1.055 138 H CA 0.519 56.393 56.048 -0.291 0.000 1.191 138 H CB 0.859 30.549 29.762 -0.121 0.000 1.536 138 H HN 0.819 nan 8.280 nan 0.000 0.529 139 G N -0.379 107.863 108.800 -0.930 0.000 2.361 139 G HA2 -0.069 3.880 3.960 -0.019 0.000 0.331 139 G HA3 -0.069 3.880 3.960 -0.019 0.000 0.331 139 G C -1.164 173.401 174.900 -0.558 0.000 1.324 139 G CA -0.305 44.409 45.100 -0.645 0.000 0.984 139 G HN 0.195 nan 8.290 nan 0.000 0.586 140 C N 2.114 121.294 119.300 -0.200 0.000 3.163 140 C HA 0.803 5.251 4.460 -0.019 0.000 0.228 140 C C 0.713 175.664 174.990 -0.065 0.000 1.593 140 C CA 0.665 59.633 59.018 -0.083 0.000 1.489 140 C CB -1.917 25.861 27.740 0.064 0.000 2.294 140 C HN 1.314 nan 8.230 nan 0.000 0.508 141 T N -2.503 111.988 114.554 -0.105 0.000 2.896 141 T HA 0.421 4.759 4.350 -0.019 0.000 0.297 141 T C 0.945 175.580 174.700 -0.109 0.000 1.108 141 T CA -0.473 61.584 62.100 -0.071 0.000 1.004 141 T CB 1.304 70.154 68.868 -0.029 0.000 1.159 141 T HN -0.101 nan 8.240 nan 0.000 0.499 142 V N 1.738 121.605 119.914 -0.077 0.000 2.317 142 V HA -0.108 4.000 4.120 -0.019 0.000 0.251 142 V C 2.812 178.839 176.094 -0.111 0.000 1.065 142 V CA 2.717 64.966 62.300 -0.085 0.000 1.049 142 V CB -1.333 30.462 31.823 -0.047 0.000 0.651 142 V HN 1.114 nan 8.190 nan 0.000 0.450 143 G N -0.401 108.352 108.800 -0.078 0.000 2.421 143 G HA2 -0.192 3.756 3.960 -0.019 0.000 0.217 143 G HA3 -0.192 3.756 3.960 -0.019 0.000 0.217 143 G C 1.744 176.541 174.900 -0.171 0.000 1.143 143 G CA 1.168 46.237 45.100 -0.050 0.000 0.784 143 G HN 0.671 nan 8.290 nan 0.000 0.541 144 S N -0.304 115.228 115.700 -0.280 0.000 2.486 144 S HA 0.163 4.621 4.470 -0.019 0.000 0.220 144 S C 2.155 176.222 174.600 -0.888 0.000 1.011 144 S CA 0.242 58.122 58.200 -0.534 0.000 0.921 144 S CB -0.082 62.951 63.200 -0.279 0.000 0.785 144 S HN 0.287 nan 8.310 nan 0.000 0.517 145 M N 1.519 120.773 119.600 -0.578 0.000 2.558 145 M HA 0.322 4.790 4.480 -0.019 0.000 0.255 145 M C 2.434 178.423 176.300 -0.518 0.000 1.113 145 M CA 0.620 55.613 55.300 -0.512 0.000 1.097 145 M CB -0.513 31.913 32.600 -0.289 0.000 1.426 145 M HN 0.454 nan 8.290 nan 0.000 0.488 146 A N 1.557 124.062 122.820 -0.525 0.000 1.985 146 A HA -0.231 4.077 4.320 -0.019 0.000 0.223 146 A C 1.743 179.155 177.584 -0.287 0.000 1.189 146 A CA 2.441 54.279 52.037 -0.333 0.000 0.658 146 A CB -0.816 18.064 19.000 -0.199 0.000 0.820 146 A HN 0.689 nan 8.150 nan 0.000 0.464 147 F N -2.534 117.206 119.950 -0.351 0.000 2.577 147 F HA 0.369 4.885 4.527 -0.018 0.000 0.276 147 F C 1.344 177.026 175.800 -0.198 0.000 1.032 147 F CA 0.096 57.894 58.000 -0.337 0.000 1.297 147 F CB -0.854 37.809 39.000 -0.563 0.000 1.061 147 F HN 0.064 nan 8.300 nan 0.000 0.680 162 L N 2.191 123.417 121.223 0.005 0.000 2.313 162 L HA 0.681 5.009 4.340 -0.019 0.000 0.283 162 L C -0.943 175.921 176.870 -0.011 0.000 1.013 162 L CA -0.874 53.964 54.840 -0.003 0.000 0.816 162 L CB 1.678 43.735 42.059 -0.003 0.000 1.236 162 L HN 0.155 nan 8.230 nan 0.000 0.419 163 I N 6.034 126.591 120.570 -0.022 0.000 2.330 163 I HA 0.266 4.424 4.170 -0.019 0.000 0.286 163 I C -0.341 175.745 176.117 -0.052 0.000 1.025 163 I CA -0.297 60.982 61.300 -0.034 0.000 1.197 163 I CB 1.245 39.218 38.000 -0.045 0.000 1.358 163 I HN 0.398 nan 8.210 nan 0.000 0.467 164 L N 7.404 128.602 121.223 -0.041 0.000 2.276 164 L HA 0.489 4.817 4.340 -0.019 0.000 0.286 164 L C -0.385 176.445 176.870 -0.067 0.000 1.061 164 L CA -0.372 54.441 54.840 -0.047 0.000 0.807 164 L CB 0.929 42.981 42.059 -0.012 0.000 1.177 164 L HN 0.451 nan 8.230 nan 0.000 0.429 165 L N 5.012 126.171 121.223 -0.107 0.000 2.330 165 L HA 0.566 4.894 4.340 -0.019 0.000 0.271 165 L C -2.291 174.624 176.870 0.074 0.000 1.013 165 L CA -2.218 52.581 54.840 -0.068 0.000 0.816 165 L CB 1.825 43.832 42.059 -0.087 0.000 1.287 165 L HN 0.326 nan 8.230 nan 0.000 0.435 166 P HA -0.003 nan 4.420 nan 0.000 0.268 166 P C -1.170 176.214 177.300 0.139 0.000 1.205 166 P CA -0.058 63.030 63.100 -0.021 0.000 0.771 166 P CB 0.252 31.756 31.700 -0.327 0.000 0.858 167 Y N 5.268 125.548 120.300 -0.032 0.000 2.425 167 Y HA 0.179 4.718 4.550 -0.019 0.000 0.331 167 Y C -1.569 174.111 175.900 -0.367 0.000 1.157 167 Y CA -1.827 56.073 58.100 -0.332 0.000 1.372 167 Y CB 0.281 38.557 38.460 -0.306 0.000 1.253 167 Y HN 0.326 nan 8.280 nan 0.000 0.536 168 P HA 0.011 nan 4.420 nan 0.000 0.268 168 P C -1.123 175.962 177.300 -0.358 0.000 1.485 168 P CA 0.051 62.699 63.100 -0.754 0.000 1.102 168 P CB 0.306 31.138 31.700 -1.447 0.000 1.501 169 D N 5.013 125.357 120.400 -0.093 0.000 2.359 169 D HA 0.188 4.817 4.640 -0.019 0.000 0.230 169 D C -1.534 174.793 176.300 0.045 0.000 1.118 169 D CA -2.503 51.524 54.000 0.046 0.000 0.844 169 D CB 1.374 42.239 40.800 0.109 0.000 1.059 169 D HN 0.069 nan 8.370 nan 0.000 0.493 170 P HA -0.136 nan 4.420 nan 0.000 0.220 170 P C 1.023 178.401 177.300 0.130 0.000 1.148 170 P CA 0.729 63.873 63.100 0.074 0.000 0.803 170 P CB 0.080 31.827 31.700 0.078 0.000 0.782 171 Y N 0.822 121.132 120.300 0.016 0.000 2.337 171 Y HA 0.035 4.573 4.550 -0.019 0.000 0.293 171 Y C 0.677 176.589 175.900 0.020 0.000 1.123 171 Y CA 0.898 59.010 58.100 0.019 0.000 1.201 171 Y CB 0.193 38.667 38.460 0.023 0.000 1.011 171 Y HN -0.190 nan 8.280 nan 0.000 0.545 172 R N 0.741 121.264 120.500 0.039 0.000 2.513 172 R HA 0.293 4.622 4.340 -0.019 0.000 0.283 172 R C -2.857 173.457 176.300 0.023 0.000 1.535 172 R CA -1.898 54.187 56.100 -0.025 0.000 1.315 172 R CB 0.826 31.131 30.300 0.009 0.000 1.163 172 R HN 0.034 nan 8.270 nan 0.000 0.573 173 P HA -0.103 nan 4.420 nan 0.000 0.269 173 P C -1.073 176.276 177.300 0.081 0.000 1.215 173 P CA -0.113 63.009 63.100 0.036 0.000 0.780 173 P CB 0.442 32.147 31.700 0.008 0.000 0.898 174 Y N 2.519 122.811 120.300 -0.014 0.000 2.313 174 Y HA 0.239 4.778 4.550 -0.019 0.000 0.332 174 Y C 1.119 177.025 175.900 0.012 0.000 1.071 174 Y CA -0.452 57.651 58.100 0.004 0.000 1.169 174 Y CB 0.665 39.134 38.460 0.014 0.000 1.192 174 Y HN 0.344 nan 8.280 nan 0.000 0.487 175 R N 4.321 124.423 120.500 -0.663 0.000 3.405 175 R HA -0.355 3.973 4.340 -0.019 0.000 0.258 175 R C 0.087 176.257 176.300 -0.215 0.000 1.030 175 R CA 1.022 56.811 56.100 -0.519 0.000 0.691 175 R CB -1.720 28.179 30.300 -0.667 0.000 1.093 175 R HN 0.934 nan 8.270 nan 0.000 0.448 176 N N 0.084 118.703 118.700 -0.134 0.000 2.725 176 N HA -0.200 4.528 4.740 -0.019 0.000 0.249 176 N C -1.333 174.153 175.510 -0.040 0.000 1.103 176 N CA 1.565 54.573 53.050 -0.071 0.000 0.707 176 N CB -0.353 38.094 38.487 -0.067 0.000 1.043 176 N HN 0.535 nan 8.380 nan 0.000 0.553 177 D N -1.207 119.180 120.400 -0.021 0.000 2.420 177 D HA 0.408 5.037 4.640 -0.019 0.000 0.255 177 D C -1.826 174.495 176.300 0.034 0.000 1.185 177 D CA -2.036 51.973 54.000 0.016 0.000 0.904 177 D CB 1.236 42.060 40.800 0.040 0.000 1.102 177 D HN 0.010 nan 8.370 nan 0.000 0.534 178 P HA -0.119 nan 4.420 nan 0.000 0.219 178 P C 1.371 178.694 177.300 0.039 0.000 1.146 178 P CA 1.270 64.386 63.100 0.027 0.000 0.808 178 P CB 0.159 31.872 31.700 0.022 0.000 0.779 179 T N -4.756 109.831 114.554 0.055 0.000 2.867 179 T HA 0.058 4.396 4.350 -0.019 0.000 0.268 179 T C 1.752 176.518 174.700 0.111 0.000 1.057 179 T CA 1.334 63.481 62.100 0.079 0.000 1.136 179 T CB -1.134 67.784 68.868 0.084 0.000 0.874 179 T HN 0.244 nan 8.240 nan 0.000 0.466 180 G N 1.034 109.900 108.800 0.111 0.000 2.176 180 G HA2 -0.231 3.718 3.960 -0.019 0.000 0.232 180 G HA3 -0.231 3.718 3.960 -0.019 0.000 0.232 180 G C 0.557 175.633 174.900 0.293 0.000 0.986 180 G CA 0.370 45.555 45.100 0.141 0.000 0.643 180 G HN 0.513 nan 8.290 nan 0.000 0.522 181 D N 0.707 121.239 120.400 0.221 0.000 2.264 181 D HA 0.119 4.747 4.640 -0.019 0.000 0.208 181 D C 2.550 178.966 176.300 0.194 0.000 0.966 181 D CA 1.349 55.467 54.000 0.195 0.000 0.864 181 D CB -0.411 40.465 40.800 0.126 0.000 0.933 181 D HN 0.710 nan 8.370 nan 0.000 0.499 182 A N 0.520 123.462 122.820 0.203 0.000 2.015 182 A HA -0.087 4.221 4.320 -0.019 0.000 0.219 182 A C 2.252 180.034 177.584 0.330 0.000 1.163 182 A CA 0.582 52.759 52.037 0.233 0.000 0.646 182 A CB -0.509 18.609 19.000 0.197 0.000 0.806 182 A HN 0.213 nan 8.150 nan 0.000 0.448 183 I N -0.609 120.169 120.570 0.347 0.000 2.353 183 I HA -0.179 3.979 4.170 -0.019 0.000 0.248 183 I C 2.147 178.448 176.117 0.307 0.000 1.119 183 I CA 0.757 62.233 61.300 0.293 0.000 1.417 183 I CB -0.304 37.858 38.000 0.269 0.000 1.078 183 I HN 0.243 nan 8.210 nan 0.000 0.421 184 L N 0.160 121.571 121.223 0.312 0.000 2.141 184 L HA -0.142 4.187 4.340 -0.019 0.000 0.209 184 L C 2.590 179.526 176.870 0.110 0.000 1.094 184 L CA 1.294 56.237 54.840 0.171 0.000 0.763 184 L CB -0.893 41.215 42.059 0.082 0.000 0.908 184 L HN 0.244 nan 8.230 nan 0.000 0.437 185 T N 0.217 114.847 114.554 0.127 0.000 2.777 185 T HA -0.167 4.172 4.350 -0.019 0.000 0.266 185 T C 1.960 176.716 174.700 0.095 0.000 1.040 185 T CA 0.918 63.076 62.100 0.098 0.000 1.141 185 T CB -0.150 68.780 68.868 0.103 0.000 0.868 185 T HN 0.206 nan 8.240 nan 0.000 0.444 186 L N 0.754 122.056 121.223 0.131 0.000 2.042 186 L HA -0.049 4.280 4.340 -0.019 0.000 0.210 186 L C 2.410 179.313 176.870 0.055 0.000 1.076 186 L CA 1.435 56.339 54.840 0.107 0.000 0.749 186 L CB -0.456 41.675 42.059 0.120 0.000 0.893 186 L HN 0.316 nan 8.230 nan 0.000 0.432 187 L N -0.615 120.644 121.223 0.060 0.000 2.017 187 L HA -0.262 4.067 4.340 -0.019 0.000 0.208 187 L C 2.464 179.299 176.870 -0.058 0.000 1.073 187 L CA 2.060 56.905 54.840 0.008 0.000 0.745 187 L CB -0.490 41.595 42.059 0.043 0.000 0.894 187 L HN 0.341 nan 8.230 nan 0.000 0.432 188 T N -0.307 114.229 114.554 -0.030 0.000 2.665 188 T HA -0.253 4.085 4.350 -0.019 0.000 0.268 188 T C 1.600 176.285 174.700 -0.026 0.000 1.035 188 T CA 1.934 64.014 62.100 -0.033 0.000 1.151 188 T CB -0.243 68.633 68.868 0.013 0.000 0.862 188 T HN 0.465 nan 8.240 nan 0.000 0.438 189 E N 0.587 120.787 120.200 0.000 0.000 2.072 189 E HA -0.084 4.255 4.350 -0.019 0.000 0.191 189 E C 2.475 179.069 176.600 -0.012 0.000 0.985 189 E CA 0.703 57.107 56.400 0.006 0.000 0.801 189 E CB 0.009 29.725 29.700 0.026 0.000 0.750 189 E HN 0.267 nan 8.360 nan 0.000 0.452 190 K N 0.435 120.821 120.400 -0.023 0.000 2.057 190 K HA -0.116 4.193 4.320 -0.019 0.000 0.206 190 K C 2.107 178.669 176.600 -0.064 0.000 1.050 190 K CA 0.677 56.943 56.287 -0.034 0.000 0.935 190 K CB -0.278 32.201 32.500 -0.036 0.000 0.715 190 K HN 0.090 nan 8.250 nan 0.000 0.439 191 L N 1.023 122.176 121.223 -0.116 0.000 2.046 191 L HA -0.094 4.235 4.340 -0.019 0.000 0.208 191 L C 2.352 179.171 176.870 -0.085 0.000 1.077 191 L CA 1.698 56.431 54.840 -0.179 0.000 0.747 191 L CB -1.162 40.637 42.059 -0.434 0.000 0.896 191 L HN 0.119 nan 8.230 nan 0.000 0.432 192 A N -1.208 121.587 122.820 -0.041 0.000 2.066 192 A HA 0.039 4.348 4.320 -0.019 0.000 0.218 192 A C 2.312 179.896 177.584 -0.000 0.000 1.157 192 A CA 1.184 53.224 52.037 0.004 0.000 0.670 192 A CB -0.618 18.392 19.000 0.017 0.000 0.804 192 A HN 0.352 nan 8.150 nan 0.000 0.453 193 A N -1.238 121.577 122.820 -0.009 0.000 2.206 193 A HA 0.438 4.747 4.320 -0.019 0.000 0.211 193 A C 0.751 178.332 177.584 -0.005 0.000 1.158 193 A CA 0.834 52.869 52.037 -0.004 0.000 0.761 193 A CB -0.173 18.825 19.000 -0.004 0.000 0.801 193 A HN 0.463 nan 8.150 nan 0.000 0.473 194 V N -0.062 119.846 119.914 -0.010 0.000 3.007 194 V HA 0.422 4.530 4.120 -0.019 0.000 0.311 194 V C -2.688 173.404 176.094 -0.004 0.000 1.120 194 V CA -2.171 60.124 62.300 -0.008 0.000 0.980 194 V CB 2.313 34.127 31.823 -0.015 0.000 1.033 194 V HN 0.125 nan 8.190 nan 0.000 0.429 195 P HA 0.213 nan 4.420 nan 0.000 0.266 195 P C -0.671 176.635 177.300 0.010 0.000 1.195 195 P CA 0.116 63.218 63.100 0.004 0.000 0.768 195 P CB 0.372 32.072 31.700 0.002 0.000 0.838 196 A N 2.787 125.619 122.820 0.020 0.000 2.511 196 A HA 0.423 4.732 4.320 -0.019 0.000 0.242 196 A C 1.473 179.065 177.584 0.013 0.000 1.069 196 A CA 0.610 52.667 52.037 0.033 0.000 0.763 196 A CB -1.201 17.818 19.000 0.031 0.000 1.001 196 A HN 0.917 nan 8.150 nan 0.000 0.498 197 G N 1.095 109.904 108.800 0.014 0.000 2.143 197 G HA2 -0.240 3.709 3.960 -0.019 0.000 0.248 197 G HA3 -0.240 3.709 3.960 -0.019 0.000 0.248 197 G C 0.912 175.808 174.900 -0.007 0.000 0.991 197 G CA 1.208 46.307 45.100 -0.003 0.000 0.689 197 G HN 1.986 nan 8.290 nan 0.000 0.522 198 S N -1.122 114.575 115.700 -0.004 0.000 2.483 198 S HA 0.424 4.883 4.470 -0.019 0.000 0.221 198 S C 0.915 175.513 174.600 -0.003 0.000 1.030 198 S CA 0.190 58.388 58.200 -0.004 0.000 0.925 198 S CB 0.516 63.715 63.200 -0.002 0.000 0.795 198 S HN 0.376 nan 8.310 nan 0.000 0.511 199 I N 2.947 123.511 120.570 -0.011 0.000 2.304 199 I HA 0.395 4.553 4.170 -0.019 0.000 0.291 199 I C 1.429 177.538 176.117 -0.013 0.000 1.018 199 I CA -0.139 61.155 61.300 -0.011 0.000 1.260 199 I CB 0.475 38.452 38.000 -0.039 0.000 1.390 199 I HN 0.321 nan 8.210 nan 0.000 0.475 200 G N 4.969 113.770 108.800 0.001 0.000 2.662 200 G HA2 0.397 4.345 3.960 -0.019 0.000 0.212 200 G HA3 0.397 4.345 3.960 -0.019 0.000 0.212 200 G C 0.469 175.352 174.900 -0.027 0.000 1.141 200 G CA 0.479 45.568 45.100 -0.020 0.000 0.797 200 G HN 0.690 nan 8.290 nan 0.000 0.531 201 A N -0.865 121.957 122.820 0.003 0.000 2.574 201 A HA 0.803 5.111 4.320 -0.019 0.000 0.297 201 A C -0.932 176.657 177.584 0.009 0.000 1.062 201 A CA 0.038 52.060 52.037 -0.025 0.000 0.686 201 A CB 1.305 20.304 19.000 -0.001 0.000 1.285 201 A HN 1.039 nan 8.150 nan 0.000 0.403 202 A N 1.053 123.855 122.820 -0.030 0.000 2.303 202 A HA 0.779 5.087 4.320 -0.019 0.000 0.320 202 A C -1.297 176.317 177.584 0.050 0.000 1.192 202 A CA -0.314 51.778 52.037 0.092 0.000 0.821 202 A CB 0.221 19.320 19.000 0.166 0.000 1.188 202 A HN 0.744 nan 8.150 nan 0.000 0.492 203 F N 2.332 122.297 119.950 0.026 0.000 2.404 203 F HA 0.584 5.100 4.527 -0.019 0.000 0.354 203 F C 0.122 176.102 175.800 0.300 0.000 1.122 203 F CA -0.161 57.853 58.000 0.023 0.000 1.080 203 F CB 1.395 40.223 39.000 -0.287 0.000 1.131 203 F HN 0.364 nan 8.300 nan 0.000 0.471 204 I N 2.834 123.690 120.570 0.476 0.000 2.646 204 I HA 0.368 4.526 4.170 -0.019 0.000 0.299 204 I C -0.776 175.657 176.117 0.526 0.000 1.036 204 I CA -0.854 60.791 61.300 0.575 0.000 1.074 204 I CB 2.265 40.532 38.000 0.445 0.000 1.258 204 I HN 0.445 nan 8.210 nan 0.000 0.430 205 E N 6.134 126.619 120.200 0.475 0.000 2.133 205 E HA 0.246 4.585 4.350 -0.019 0.000 0.274 205 E C -1.862 174.943 176.600 0.341 0.000 0.930 205 E CA -1.660 54.948 56.400 0.346 0.000 0.770 205 E CB 1.766 31.576 29.700 0.185 0.000 1.104 205 E HN 0.356 nan 8.360 nan 0.000 0.403 206 P HA -0.015 nan 4.420 nan 0.000 0.233 206 P C 0.038 177.510 177.300 0.286 0.000 1.167 206 P CA 0.920 64.235 63.100 0.358 0.000 0.770 206 P CB 0.628 32.555 31.700 0.378 0.000 0.837 207 I N -0.374 120.322 120.570 0.210 0.000 2.548 207 I HA 0.235 4.393 4.170 -0.019 0.000 0.287 207 I C 0.043 176.138 176.117 -0.036 0.000 1.103 207 I CA -0.905 60.465 61.300 0.116 0.000 1.049 207 I CB 2.671 40.721 38.000 0.083 0.000 1.232 207 I HN -0.248 nan 8.210 nan 0.000 0.429 208 Q N 3.269 122.871 119.800 -0.330 0.000 2.313 208 Q HA 0.156 4.484 4.340 -0.019 0.000 0.266 208 Q C 0.815 176.684 176.000 -0.219 0.000 0.989 208 Q CA -0.036 55.464 55.803 -0.506 0.000 0.890 208 Q CB 1.320 29.386 28.738 -1.120 0.000 1.200 208 Q HN 0.895 nan 8.270 nan 0.000 0.396 209 S N 2.307 117.933 115.700 -0.123 0.000 2.289 209 S HA -0.137 4.321 4.470 -0.019 0.000 0.193 209 S C 1.287 175.838 174.600 -0.083 0.000 1.002 209 S CA 0.945 59.119 58.200 -0.043 0.000 0.951 209 S CB -0.522 62.694 63.200 0.026 0.000 0.920 209 S HN 0.851 nan 8.310 nan 0.000 0.502 210 D N 2.022 122.348 120.400 -0.124 0.000 2.221 210 D HA -0.027 4.601 4.640 -0.019 0.000 0.204 210 D C 1.921 178.105 176.300 -0.194 0.000 0.982 210 D CA 1.361 55.235 54.000 -0.210 0.000 0.857 210 D CB -0.864 39.782 40.800 -0.257 0.000 0.934 210 D HN 0.519 nan 8.370 nan 0.000 0.475 211 G N -0.999 107.696 108.800 -0.176 0.000 2.470 211 G HA2 0.092 4.041 3.960 -0.019 0.000 0.220 211 G HA3 0.092 4.041 3.960 -0.019 0.000 0.220 211 G C 1.044 175.874 174.900 -0.116 0.000 1.121 211 G CA 0.554 45.555 45.100 -0.165 0.000 0.766 211 G HN 0.732 nan 8.290 nan 0.000 0.553 212 G N -0.480 108.261 108.800 -0.099 0.000 2.441 212 G HA2 0.023 3.971 3.960 -0.019 0.000 0.139 212 G HA3 0.023 3.971 3.960 -0.019 0.000 0.139 212 G C 0.320 175.203 174.900 -0.028 0.000 1.067 212 G CA -0.340 44.736 45.100 -0.040 0.000 0.766 212 G HN 0.707 nan 8.290 nan 0.000 0.484 213 L N -0.733 120.472 121.223 -0.031 0.000 3.833 213 L HA -0.197 4.131 4.340 -0.019 0.000 0.447 213 L C 0.910 177.771 176.870 -0.015 0.000 1.213 213 L CA 1.295 56.130 54.840 -0.008 0.000 0.801 213 L CB -1.582 40.501 42.059 0.041 0.000 1.676 213 L HN 0.604 nan 8.230 nan 0.000 0.883 214 I N -0.157 120.377 120.570 -0.059 0.000 2.322 214 I HA 0.145 4.303 4.170 -0.019 0.000 0.292 214 I C 0.854 177.026 176.117 0.092 0.000 1.060 214 I CA -0.418 60.884 61.300 0.004 0.000 1.309 214 I CB 1.032 39.034 38.000 0.003 0.000 1.415 214 I HN -0.120 nan 8.210 nan 0.000 0.492 215 V N 9.469 129.437 119.914 0.091 0.000 2.470 215 V HA 0.154 4.262 4.120 -0.019 0.000 0.276 215 V C -1.605 174.560 176.094 0.117 0.000 1.040 215 V CA -1.310 61.054 62.300 0.107 0.000 1.008 215 V CB 0.377 32.227 31.823 0.045 0.000 0.990 215 V HN 0.617 nan 8.190 nan 0.000 0.477 216 P HA 0.235 nan 4.420 nan 0.000 0.272 216 P C -2.593 174.691 177.300 -0.026 0.000 1.230 216 P CA -1.512 61.534 63.100 -0.090 0.000 0.788 216 P CB -0.027 31.520 31.700 -0.255 0.000 0.949 217 P HA -0.018 nan 4.420 nan 0.000 0.268 217 P C 0.025 177.379 177.300 0.089 0.000 1.208 217 P CA 0.281 63.395 63.100 0.023 0.000 0.777 217 P CB 0.408 32.117 31.700 0.014 0.000 0.875 218 D N 0.635 121.090 120.400 0.092 0.000 2.458 218 D HA 0.115 4.743 4.640 -0.019 0.000 0.243 218 D C 1.493 177.874 176.300 0.135 0.000 1.146 218 D CA 1.708 55.775 54.000 0.111 0.000 0.877 218 D CB 0.212 41.065 40.800 0.088 0.000 1.176 218 D HN 0.696 nan 8.370 nan 0.000 0.461 219 G N 3.840 112.732 108.800 0.152 0.000 2.253 219 G HA2 -0.385 3.564 3.960 -0.019 0.000 0.251 219 G HA3 -0.385 3.564 3.960 -0.019 0.000 0.251 219 G C 0.902 175.890 174.900 0.147 0.000 0.998 219 G CA 0.432 45.616 45.100 0.139 0.000 0.621 219 G HN 0.566 nan 8.290 nan 0.000 0.524 220 F N 1.374 121.347 119.950 0.037 0.000 2.069 220 F HA 0.076 4.592 4.527 -0.019 0.000 0.298 220 F C 2.540 178.358 175.800 0.029 0.000 1.113 220 F CA 2.484 60.491 58.000 0.013 0.000 1.214 220 F CB -0.288 38.673 39.000 -0.065 0.000 0.978 220 F HN 0.205 nan 8.300 nan 0.000 0.474 221 L N -0.043 121.261 121.223 0.136 0.000 2.093 221 L HA -0.169 4.159 4.340 -0.019 0.000 0.208 221 L C 2.694 179.437 176.870 -0.213 0.000 1.085 221 L CA 1.357 56.180 54.840 -0.028 0.000 0.755 221 L CB -0.730 41.414 42.059 0.142 0.000 0.904 221 L HN 0.150 nan 8.230 nan 0.000 0.435 222 R N 0.868 121.370 120.500 0.004 0.000 2.080 222 R HA -0.200 4.128 4.340 -0.019 0.000 0.236 222 R C 2.290 178.544 176.300 -0.077 0.000 1.137 222 R CA 1.671 57.795 56.100 0.040 0.000 0.943 222 R CB -0.037 30.348 30.300 0.143 0.000 0.846 222 R HN 0.280 nan 8.270 nan 0.000 0.431 223 K N -0.419 119.917 120.400 -0.106 0.000 2.057 223 K HA -0.175 4.133 4.320 -0.019 0.000 0.207 223 K C 1.996 178.464 176.600 -0.220 0.000 1.049 223 K CA 1.599 57.797 56.287 -0.148 0.000 0.931 223 K CB -0.346 32.065 32.500 -0.149 0.000 0.714 223 K HN 0.164 nan 8.250 nan 0.000 0.440 224 F N 1.838 121.480 119.950 -0.513 0.000 2.091 224 F HA -0.304 4.212 4.527 -0.019 0.000 0.299 224 F C 2.247 177.866 175.800 -0.301 0.000 1.103 224 F CA 1.735 59.455 58.000 -0.467 0.000 1.228 224 F CB -0.253 38.417 39.000 -0.549 0.000 0.984 224 F HN -0.000 nan 8.300 nan 0.000 0.477 225 A N -0.007 122.643 122.820 -0.284 0.000 1.902 225 A HA -0.206 4.103 4.320 -0.019 0.000 0.217 225 A C 1.903 179.347 177.584 -0.234 0.000 1.181 225 A CA 1.970 53.817 52.037 -0.317 0.000 0.623 225 A CB -1.077 17.695 19.000 -0.379 0.000 0.818 225 A HN 0.473 nan 8.150 nan 0.000 0.443 226 D N 0.223 120.518 120.400 -0.174 0.000 2.106 226 D HA -0.180 4.448 4.640 -0.019 0.000 0.191 226 D C 1.794 178.013 176.300 -0.135 0.000 0.997 226 D CA 1.499 55.427 54.000 -0.119 0.000 0.834 226 D CB -0.446 40.302 40.800 -0.088 0.000 0.956 226 D HN 0.525 nan 8.370 nan 0.000 0.448 227 I N 0.436 120.897 120.570 -0.182 0.000 2.163 227 I HA -0.326 3.832 4.170 -0.019 0.000 0.243 227 I C 2.496 178.554 176.117 -0.098 0.000 1.085 227 I CA 0.781 62.003 61.300 -0.130 0.000 1.347 227 I CB -0.235 37.644 38.000 -0.201 0.000 1.044 227 I HN 0.108 nan 8.210 nan 0.000 0.408 228 C N 0.384 119.501 119.300 -0.305 0.000 2.413 228 C HA -0.194 4.255 4.460 -0.019 0.000 0.276 228 C C 2.913 177.840 174.990 -0.105 0.000 1.236 228 C CA 0.888 59.753 59.018 -0.254 0.000 1.735 228 C CB -1.156 26.359 27.740 -0.375 0.000 2.031 228 C HN 0.425 nan 8.230 nan 0.000 0.474 229 R N 1.177 121.611 120.500 -0.110 0.000 2.081 229 R HA -0.025 4.303 4.340 -0.019 0.000 0.235 229 R C 2.324 178.580 176.300 -0.074 0.000 1.131 229 R CA 1.610 57.665 56.100 -0.075 0.000 0.960 229 R CB -1.002 29.259 30.300 -0.065 0.000 0.856 229 R HN 0.545 nan 8.270 nan 0.000 0.436 230 A N 0.086 122.853 122.820 -0.088 0.000 2.032 230 A HA -0.187 4.122 4.320 -0.019 0.000 0.221 230 A C 1.235 178.650 177.584 -0.281 0.000 1.165 230 A CA 1.624 53.560 52.037 -0.169 0.000 0.645 230 A CB -0.543 18.346 19.000 -0.185 0.000 0.807 230 A HN 0.426 nan 8.150 nan 0.000 0.453 231 H N -1.828 117.180 119.070 -0.104 0.000 2.594 231 H HA 0.277 4.822 4.556 -0.019 0.000 0.279 231 H C 1.481 176.759 175.328 -0.084 0.000 1.042 231 H CA 0.405 56.398 56.048 -0.092 0.000 1.177 231 H CB 0.179 29.878 29.762 -0.105 0.000 1.524 231 H HN 0.629 nan 8.280 nan 0.000 0.537 232 G N 1.953 110.746 108.800 -0.011 0.000 2.198 232 G HA2 -0.280 3.668 3.960 -0.019 0.000 0.260 232 G HA3 -0.280 3.668 3.960 -0.019 0.000 0.260 232 G C 0.135 175.015 174.900 -0.033 0.000 1.025 232 G CA 0.110 45.191 45.100 -0.031 0.000 0.769 232 G HN 0.342 nan 8.290 nan 0.000 0.507 233 I N 0.609 121.156 120.570 -0.038 0.000 2.342 233 I HA 0.350 4.508 4.170 -0.019 0.000 0.291 233 I C 1.054 177.122 176.117 -0.081 0.000 1.010 233 I CA -0.873 60.388 61.300 -0.065 0.000 1.308 233 I CB 1.107 39.049 38.000 -0.096 0.000 1.400 233 I HN -0.034 nan 8.210 nan 0.000 0.488 234 L N 6.781 127.955 121.223 -0.082 0.000 2.410 234 L HA 0.195 4.523 4.340 -0.019 0.000 0.273 234 L C -0.219 176.588 176.870 -0.104 0.000 1.152 234 L CA -0.384 54.402 54.840 -0.091 0.000 0.855 234 L CB 0.746 42.739 42.059 -0.109 0.000 1.129 234 L HN 0.324 nan 8.230 nan 0.000 0.463 235 V N 4.926 124.798 119.914 -0.070 0.000 2.348 235 V HA 0.195 4.303 4.120 -0.019 0.000 0.270 235 V C 0.131 176.189 176.094 -0.060 0.000 1.037 235 V CA -0.502 61.780 62.300 -0.029 0.000 0.872 235 V CB 1.439 33.285 31.823 0.038 0.000 1.002 235 V HN 0.402 nan 8.190 nan 0.000 0.464 236 V N 4.810 124.609 119.914 -0.191 0.000 2.350 236 V HA 0.256 4.364 4.120 -0.019 0.000 0.276 236 V C 0.166 176.209 176.094 -0.085 0.000 1.028 236 V CA -0.431 61.674 62.300 -0.325 0.000 0.860 236 V CB 1.422 32.635 31.823 -1.016 0.000 0.990 236 V HN 0.959 nan 8.190 nan 0.000 0.453 237 C N 4.981 124.318 119.300 0.062 0.000 2.255 237 C HA 0.404 4.852 4.460 -0.019 0.000 0.326 237 C C 0.165 175.291 174.990 0.227 0.000 1.258 237 C CA -0.614 58.541 59.018 0.229 0.000 1.676 237 C CB -0.073 27.849 27.740 0.302 0.000 2.314 237 C HN 0.920 nan 8.230 nan 0.000 0.509 238 D N 3.938 124.521 120.400 0.304 0.000 2.441 238 D HA 0.153 4.782 4.640 -0.019 0.000 0.221 238 D C 0.576 177.062 176.300 0.311 0.000 1.156 238 D CA 0.271 54.472 54.000 0.336 0.000 0.896 238 D CB 0.533 41.634 40.800 0.501 0.000 1.028 238 D HN 0.714 nan 8.370 nan 0.000 0.509 239 E N 2.539 122.905 120.200 0.275 0.000 2.496 239 E HA 0.056 4.394 4.350 -0.019 0.000 0.202 239 E C 1.584 178.323 176.600 0.232 0.000 1.021 239 E CA -0.100 56.456 56.400 0.260 0.000 1.015 239 E CB 0.977 30.847 29.700 0.284 0.000 1.102 239 E HN 0.312 nan 8.360 nan 0.000 0.452 240 V N 1.053 121.109 119.914 0.236 0.000 2.392 240 V HA -0.292 3.817 4.120 -0.019 0.000 0.249 240 V C 2.305 178.520 176.094 0.201 0.000 1.059 240 V CA 2.018 64.449 62.300 0.219 0.000 1.051 240 V CB -0.293 31.671 31.823 0.235 0.000 0.658 240 V HN 0.149 nan 8.190 nan 0.000 0.455 241 K N -0.499 120.021 120.400 0.201 0.000 2.168 241 K HA 0.087 4.395 4.320 -0.019 0.000 0.201 241 K C 1.484 178.178 176.600 0.157 0.000 1.049 241 K CA 1.027 57.422 56.287 0.180 0.000 0.974 241 K CB 0.231 32.835 32.500 0.173 0.000 0.792 241 K HN 0.232 nan 8.250 nan 0.000 0.463 242 V N 0.317 120.327 119.914 0.160 0.000 3.528 242 V HA 0.343 4.452 4.120 -0.019 0.000 0.294 242 V C 0.780 176.959 176.094 0.141 0.000 1.404 242 V CA 0.180 62.564 62.300 0.140 0.000 1.065 242 V CB 0.571 32.478 31.823 0.139 0.000 0.904 242 V HN 0.378 nan 8.190 nan 0.000 0.435 243 G N -0.736 108.160 108.800 0.159 0.000 2.543 243 G HA2 0.498 4.446 3.960 -0.019 0.000 0.290 243 G HA3 0.498 4.446 3.960 -0.019 0.000 0.290 243 G C -0.027 174.937 174.900 0.107 0.000 1.310 243 G CA -0.729 44.470 45.100 0.165 0.000 1.025 243 G HN 0.310 nan 8.290 nan 0.000 0.502 244 L N -1.270 119.999 121.223 0.076 0.000 3.709 244 L HA -0.229 4.099 4.340 -0.019 0.000 0.626 244 L C 1.541 178.396 176.870 -0.025 0.000 1.119 244 L CA 0.406 55.245 54.840 -0.001 0.000 0.996 244 L CB -1.873 40.214 42.059 0.046 0.000 1.327 244 L HN 1.948 nan 8.230 nan 0.000 0.808 245 A N 0.494 123.273 122.820 -0.069 0.000 4.109 245 A HA -0.364 3.944 4.320 -0.019 0.000 0.250 245 A C 1.810 179.391 177.584 -0.005 0.000 0.772 245 A CA 1.904 53.911 52.037 -0.051 0.000 1.320 245 A CB -1.146 17.825 19.000 -0.049 0.000 1.076 245 A HN 0.796 nan 8.150 nan 0.000 0.723 246 R N 1.036 121.548 120.500 0.020 0.000 2.152 246 R HA -0.110 4.218 4.340 -0.019 0.000 0.232 246 R C 2.062 178.392 176.300 0.051 0.000 1.117 246 R CA 2.303 58.426 56.100 0.038 0.000 0.981 246 R CB -0.333 30.001 30.300 0.056 0.000 0.870 246 R HN 1.109 nan 8.270 nan 0.000 0.451 247 S N -1.752 113.995 115.700 0.078 0.000 2.593 247 S HA 0.176 4.635 4.470 -0.019 0.000 0.217 247 S C 1.271 175.976 174.600 0.176 0.000 0.966 247 S CA 0.321 58.588 58.200 0.112 0.000 0.914 247 S CB 0.689 63.998 63.200 0.182 0.000 0.776 247 S HN 0.595 nan 8.310 nan 0.000 0.523 248 G N 0.967 109.836 108.800 0.115 0.000 2.194 248 G HA2 -0.179 3.769 3.960 -0.019 0.000 0.236 248 G HA3 -0.179 3.769 3.960 -0.019 0.000 0.236 248 G C 0.124 175.056 174.900 0.054 0.000 0.987 248 G CA -0.099 45.059 45.100 0.097 0.000 0.635 248 G HN 0.548 nan 8.290 nan 0.000 0.520 249 R N -0.865 119.650 120.500 0.024 0.000 2.912 249 R HA 0.683 5.012 4.340 -0.019 0.000 0.262 249 R C 0.993 177.191 176.300 -0.170 0.000 1.057 249 R CA -0.557 55.447 56.100 -0.160 0.000 0.981 249 R CB 0.829 30.883 30.300 -0.410 0.000 1.201 249 R HN 0.227 nan 8.270 nan 0.000 0.484 250 L N 1.048 122.111 121.223 -0.267 0.000 1.994 250 L HA -0.073 4.255 4.340 -0.019 0.000 0.208 250 L C 0.393 176.970 176.870 -0.489 0.000 1.071 250 L CA 2.003 56.612 54.840 -0.384 0.000 0.745 250 L CB -0.209 41.554 42.059 -0.494 0.000 0.892 250 L HN 0.413 nan 8.230 nan 0.000 0.431 251 H N -2.281 116.617 119.070 -0.287 0.000 2.469 251 H HA 0.170 4.715 4.556 -0.020 0.000 0.342 251 H C 0.698 175.766 175.328 -0.434 0.000 1.115 251 H CA -0.229 55.588 56.048 -0.386 0.000 1.204 251 H CB 1.358 30.647 29.762 -0.788 0.000 1.492 251 H HN 0.167 nan 8.280 nan 0.000 0.499 252 C N 3.659 122.952 119.300 -0.012 0.000 2.432 252 C HA -0.158 4.290 4.460 -0.019 0.000 0.280 252 C C 2.580 177.637 174.990 0.111 0.000 1.353 252 C CA 0.685 59.792 59.018 0.149 0.000 1.766 252 C CB -1.716 26.155 27.740 0.218 0.000 1.924 252 C HN 0.779 nan 8.230 nan 0.000 0.509 253 F N 1.326 121.301 119.950 0.041 0.000 2.408 253 F HA 0.029 4.544 4.527 -0.020 0.000 0.300 253 F C 1.839 177.497 175.800 -0.238 0.000 1.090 253 F CA 1.329 59.191 58.000 -0.231 0.000 1.427 253 F CB -1.367 37.299 39.000 -0.557 0.000 1.070 253 F HN 0.229 nan 8.300 nan 0.000 0.549 254 E N -0.106 119.760 120.200 -0.557 0.000 2.204 254 E HA -0.183 4.155 4.350 -0.019 0.000 0.195 254 E C 1.726 178.184 176.600 -0.237 0.000 0.990 254 E CA 1.086 57.244 56.400 -0.403 0.000 0.821 254 E CB -0.350 29.031 29.700 -0.531 0.000 0.750 254 E HN 0.609 nan 8.360 nan 0.000 0.477 255 H N -0.132 118.904 119.070 -0.056 0.000 2.547 255 H HA 0.033 4.577 4.556 -0.019 0.000 0.272 255 H C 1.120 176.496 175.328 0.079 0.000 0.989 255 H CA 0.788 56.846 56.048 0.017 0.000 1.214 255 H CB 0.540 30.323 29.762 0.035 0.000 1.389 255 H HN 0.136 nan 8.280 nan 0.000 0.577 256 E N -0.561 119.767 120.200 0.214 0.000 2.526 256 E HA 0.131 4.470 4.350 -0.019 0.000 0.208 256 E C 1.307 178.112 176.600 0.342 0.000 0.997 256 E CA 0.353 56.942 56.400 0.315 0.000 0.961 256 E CB 1.002 30.999 29.700 0.495 0.000 1.030 256 E HN 0.512 nan 8.360 nan 0.000 0.483 257 G N 2.095 111.022 108.800 0.211 0.000 2.143 257 G HA2 -0.293 3.655 3.960 -0.019 0.000 0.248 257 G HA3 -0.293 3.655 3.960 -0.019 0.000 0.248 257 G C 0.054 175.115 174.900 0.269 0.000 0.991 257 G CA 0.914 46.132 45.100 0.196 0.000 0.689 257 G HN 0.305 nan 8.290 nan 0.000 0.522 258 F N -1.658 118.368 119.950 0.126 0.000 2.650 258 F HA 0.849 5.364 4.527 -0.020 0.000 0.320 258 F C -0.681 175.131 175.800 0.019 0.000 1.091 258 F CA -2.053 55.984 58.000 0.062 0.000 0.962 258 F CB 1.560 40.593 39.000 0.056 0.000 1.363 258 F HN 0.195 nan 8.300 nan 0.000 0.482 259 V N 2.823 122.655 119.914 -0.137 0.000 2.483 259 V HA 0.493 4.601 4.120 -0.019 0.000 0.297 259 V C -2.212 173.729 176.094 -0.256 0.000 1.027 259 V CA -1.682 60.271 62.300 -0.580 0.000 0.855 259 V CB 1.515 33.055 31.823 -0.472 0.000 0.995 259 V HN 0.738 nan 8.190 nan 0.000 0.424 260 P HA 0.241 nan 4.420 nan 0.000 0.274 260 P C -0.043 177.304 177.300 0.078 0.000 1.246 260 P CA -0.169 62.955 63.100 0.040 0.000 0.795 260 P CB 1.317 33.035 31.700 0.030 0.000 1.006 261 D N 0.137 120.595 120.400 0.096 0.000 2.183 261 D HA 0.047 4.675 4.640 -0.019 0.000 0.203 261 D C 0.721 177.110 176.300 0.148 0.000 0.969 261 D CA 1.407 55.492 54.000 0.141 0.000 0.842 261 D CB 0.306 41.128 40.800 0.036 0.000 0.957 261 D HN 0.354 nan 8.370 nan 0.000 0.484 262 I N 0.964 121.538 120.570 0.006 0.000 2.533 262 I HA 0.227 4.385 4.170 -0.019 0.000 0.290 262 I C -1.126 174.932 176.117 -0.097 0.000 1.056 262 I CA -0.918 60.329 61.300 -0.088 0.000 1.057 262 I CB 2.843 40.751 38.000 -0.155 0.000 1.240 262 I HN -0.224 nan 8.210 nan 0.000 0.423 263 L N 7.660 128.781 121.223 -0.170 0.000 2.333 263 L HA 0.618 4.947 4.340 -0.019 0.000 0.280 263 L C -0.860 175.998 176.870 -0.020 0.000 1.004 263 L CA -0.435 54.365 54.840 -0.065 0.000 0.820 263 L CB 1.773 43.770 42.059 -0.104 0.000 1.247 263 L HN 0.288 nan 8.230 nan 0.000 0.416 264 V N 5.929 125.889 119.914 0.076 0.000 2.459 264 V HA 0.575 4.684 4.120 -0.019 0.000 0.295 264 V C -0.552 175.646 176.094 0.174 0.000 1.029 264 V CA -0.634 61.740 62.300 0.123 0.000 0.874 264 V CB 1.532 33.453 31.823 0.163 0.000 0.985 264 V HN 0.473 nan 8.190 nan 0.000 0.438 265 L N 3.479 124.807 121.223 0.176 0.000 2.370 265 L HA 1.043 5.372 4.340 -0.019 0.000 0.266 265 L C 0.434 177.422 176.870 0.197 0.000 1.002 265 L CA 0.336 55.289 54.840 0.190 0.000 0.818 265 L CB 1.790 43.956 42.059 0.180 0.000 1.325 265 L HN 0.859 nan 8.230 nan 0.000 0.418 266 G N 0.410 109.324 108.800 0.190 0.000 2.510 266 G HA2 0.355 4.303 3.960 -0.019 0.000 0.277 266 G HA3 0.355 4.303 3.960 -0.019 0.000 0.277 266 G C -0.206 174.794 174.900 0.166 0.000 1.223 266 G CA 0.064 45.275 45.100 0.185 0.000 0.887 266 G HN 0.430 nan 8.290 nan 0.000 0.485 267 K N -1.202 119.297 120.400 0.166 0.000 2.836 267 K HA -0.331 3.977 4.320 -0.019 0.000 0.175 267 K C 2.036 178.711 176.600 0.126 0.000 0.789 267 K CA 2.386 58.765 56.287 0.154 0.000 0.485 267 K CB -1.530 31.073 32.500 0.171 0.000 0.744 267 K HN 0.997 nan 8.250 nan 0.000 0.798 268 G N 1.185 110.052 108.800 0.113 0.000 2.501 268 G HA2 -0.218 3.731 3.960 -0.019 0.000 0.220 268 G HA3 -0.218 3.731 3.960 -0.019 0.000 0.220 268 G C 1.319 176.259 174.900 0.067 0.000 1.114 268 G CA 0.982 46.127 45.100 0.076 0.000 0.757 268 G HN 0.339 nan 8.290 nan 0.000 0.559 269 L N 0.452 121.731 121.223 0.094 0.000 2.081 269 L HA -0.071 4.257 4.340 -0.019 0.000 0.212 269 L C 2.681 179.595 176.870 0.073 0.000 1.080 269 L CA 1.575 56.472 54.840 0.094 0.000 0.754 269 L CB -0.319 41.819 42.059 0.132 0.000 0.893 269 L HN 0.345 nan 8.230 nan 0.000 0.433 270 G N -1.962 106.884 108.800 0.077 0.000 2.880 270 G HA2 0.077 4.026 3.960 -0.019 0.000 0.209 270 G HA3 0.077 4.026 3.960 -0.019 0.000 0.209 270 G C 1.119 176.045 174.900 0.042 0.000 1.157 270 G CA 0.406 45.543 45.100 0.062 0.000 0.779 270 G HN 0.581 nan 8.290 nan 0.000 0.539 271 G N -0.436 108.382 108.800 0.030 0.000 2.337 271 G HA2 0.158 4.106 3.960 -0.019 0.000 0.290 271 G HA3 0.158 4.106 3.960 -0.019 0.000 0.290 271 G C 1.180 176.096 174.900 0.026 0.000 1.003 271 G CA 1.317 46.418 45.100 0.003 0.000 0.825 271 G HN 1.796 nan 8.290 nan 0.000 0.509 272 G N -2.729 106.107 108.800 0.059 0.000 2.336 272 G HA2 -0.062 3.887 3.960 -0.019 0.000 0.194 272 G HA3 -0.062 3.887 3.960 -0.019 0.000 0.194 272 G C 0.137 175.088 174.900 0.085 0.000 0.999 272 G CA 0.151 45.305 45.100 0.091 0.000 0.669 272 G HN 0.908 nan 8.290 nan 0.000 0.482 273 L N 1.332 122.596 121.223 0.070 0.000 2.344 273 L HA 0.562 4.890 4.340 -0.019 0.000 0.272 273 L C -2.138 174.780 176.870 0.080 0.000 1.035 273 L CA -1.945 52.933 54.840 0.064 0.000 0.807 273 L CB 0.856 42.944 42.059 0.047 0.000 1.237 273 L HN -0.123 nan 8.230 nan 0.000 0.442 274 P HA 0.318 nan 4.420 nan 0.000 0.269 274 P C -0.961 176.431 177.300 0.154 0.000 1.252 274 P CA -0.078 63.098 63.100 0.126 0.000 0.780 274 P CB 0.583 32.349 31.700 0.111 0.000 0.829 275 L N 3.291 124.603 121.223 0.149 0.000 2.588 275 L HA 0.559 4.888 4.340 -0.019 0.000 0.263 275 L C -0.748 176.219 176.870 0.162 0.000 0.935 275 L CA -0.106 54.814 54.840 0.134 0.000 0.891 275 L CB 1.787 43.898 42.059 0.086 0.000 1.318 275 L HN 0.422 nan 8.230 nan 0.000 0.409 276 S N 3.232 119.037 115.700 0.176 0.000 2.667 276 S HA 1.070 5.529 4.470 -0.019 0.000 0.292 276 S C -0.799 173.944 174.600 0.239 0.000 1.126 276 S CA -0.182 58.145 58.200 0.212 0.000 0.881 276 S CB 2.058 65.404 63.200 0.244 0.000 1.132 276 S HN 1.570 nan 8.310 nan 0.000 0.492 277 A N 0.410 123.369 122.820 0.232 0.000 2.574 277 A HA 0.714 5.023 4.320 -0.019 0.000 0.297 277 A C -1.481 176.199 177.584 0.160 0.000 1.062 277 A CA -0.717 51.416 52.037 0.159 0.000 0.686 277 A CB 1.498 20.539 19.000 0.067 0.000 1.285 277 A HN 1.147 nan 8.150 nan 0.000 0.403 278 V N 2.681 122.688 119.914 0.155 0.000 2.384 278 V HA 0.418 4.527 4.120 -0.019 0.000 0.287 278 V C -0.351 175.703 176.094 -0.067 0.000 1.020 278 V CA -0.213 62.114 62.300 0.045 0.000 0.850 278 V CB 1.315 33.144 31.823 0.010 0.000 0.987 278 V HN 0.678 nan 8.190 nan 0.000 0.436 279 I N 4.644 125.120 120.570 -0.156 0.000 2.307 279 I HA 0.742 4.900 4.170 -0.019 0.000 0.289 279 I C 0.333 176.333 176.117 -0.195 0.000 1.021 279 I CA -0.097 61.042 61.300 -0.268 0.000 1.224 279 I CB 1.173 38.822 38.000 -0.585 0.000 1.376 279 I HN 0.708 nan 8.210 nan 0.000 0.470 280 A N 7.834 130.605 122.820 -0.082 0.000 2.498 280 A HA 0.823 5.131 4.320 -0.019 0.000 0.298 280 A C -2.819 174.565 177.584 -0.334 0.000 1.075 280 A CA -1.826 50.142 52.037 -0.115 0.000 0.714 280 A CB 1.551 20.463 19.000 -0.148 0.000 1.299 280 A HN 0.352 nan 8.150 nan 0.000 0.407 281 P HA 0.092 nan 4.420 nan 0.000 0.264 281 P C 1.024 178.127 177.300 -0.328 0.000 1.179 281 P CA 1.021 63.720 63.100 -0.668 0.000 0.763 281 P CB 0.680 32.124 31.700 -0.427 0.000 0.806 282 A N 4.377 127.048 122.820 -0.248 0.000 1.948 282 A HA -0.271 4.037 4.320 -0.019 0.000 0.220 282 A C 1.883 179.391 177.584 -0.126 0.000 1.177 282 A CA 2.152 54.106 52.037 -0.138 0.000 0.636 282 A CB -1.139 17.807 19.000 -0.090 0.000 0.815 282 A HN 0.732 nan 8.150 nan 0.000 0.449 283 E N -0.425 119.692 120.200 -0.138 0.000 2.153 283 E HA -0.165 4.174 4.350 -0.019 0.000 0.194 283 E C 1.660 178.177 176.600 -0.138 0.000 0.988 283 E CA 1.253 57.580 56.400 -0.122 0.000 0.811 283 E CB -0.359 29.273 29.700 -0.113 0.000 0.746 283 E HN 0.531 nan 8.360 nan 0.000 0.466 284 I N 1.196 121.671 120.570 -0.158 0.000 2.333 284 I HA -0.129 4.029 4.170 -0.019 0.000 0.246 284 I C 2.402 178.421 176.117 -0.164 0.000 1.106 284 I CA 1.015 62.214 61.300 -0.168 0.000 1.411 284 I CB -0.702 37.194 38.000 -0.174 0.000 1.082 284 I HN 0.221 nan 8.210 nan 0.000 0.420 285 L N 0.106 121.249 121.223 -0.133 0.000 2.446 285 L HA -0.033 4.295 4.340 -0.019 0.000 0.219 285 L C 0.996 177.828 176.870 -0.064 0.000 1.116 285 L CA 0.582 55.371 54.840 -0.085 0.000 0.844 285 L CB -0.311 41.722 42.059 -0.044 0.000 0.970 285 L HN 0.139 nan 8.230 nan 0.000 0.457 286 D N -0.722 119.628 120.400 -0.084 0.000 2.340 286 D HA -0.009 4.619 4.640 -0.019 0.000 0.217 286 D C 1.905 178.146 176.300 -0.099 0.000 1.081 286 D CA 0.277 54.236 54.000 -0.069 0.000 0.842 286 D CB 0.068 40.835 40.800 -0.055 0.000 0.934 286 D HN 0.406 nan 8.370 nan 0.000 0.511 287 C N -0.214 118.994 119.300 -0.153 0.000 2.456 287 C HA 0.581 5.030 4.460 -0.019 0.000 0.279 287 C C 1.127 175.987 174.990 -0.217 0.000 1.427 287 C CA -0.077 58.827 59.018 -0.190 0.000 1.778 287 C CB -0.876 26.718 27.740 -0.243 0.000 1.842 287 C HN 0.189 nan 8.230 nan 0.000 0.531 288 A N 0.448 123.135 122.820 -0.222 0.000 2.610 288 A HA 0.713 5.021 4.320 -0.019 0.000 0.291 288 A C -0.359 177.206 177.584 -0.032 0.000 1.086 288 A CA 0.279 52.222 52.037 -0.157 0.000 0.677 288 A CB 0.540 19.363 19.000 -0.296 0.000 1.278 288 A HN 0.914 nan 8.150 nan 0.000 0.414 289 S N -0.057 115.670 115.700 0.045 0.000 2.704 289 S HA 0.751 5.210 4.470 -0.019 0.000 0.305 289 S C 0.676 175.375 174.600 0.165 0.000 1.107 289 S CA 0.197 58.457 58.200 0.100 0.000 0.993 289 S CB 1.313 64.553 63.200 0.067 0.000 1.110 289 S HN 2.607 nan 8.310 nan 0.000 0.534 290 A N -0.329 122.590 122.820 0.164 0.000 2.704 290 A HA -0.198 4.110 4.320 -0.019 0.000 0.299 290 A C 0.292 178.002 177.584 0.210 0.000 1.507 290 A CA 1.371 53.504 52.037 0.159 0.000 0.776 290 A CB -2.353 16.710 19.000 0.105 0.000 1.027 290 A HN 1.369 nan 8.150 nan 0.000 0.475 291 F N -1.184 118.821 119.950 0.092 0.000 2.557 291 F HA 0.566 5.082 4.527 -0.019 0.000 0.278 291 F C 1.083 176.950 175.800 0.112 0.000 1.051 291 F CA 0.928 58.974 58.000 0.077 0.000 1.357 291 F CB 0.420 39.450 39.000 0.049 0.000 1.104 291 F HN 0.742 nan 8.300 nan 0.000 0.654 292 A N 2.593 125.586 122.820 0.288 0.000 2.545 292 A HA 0.707 5.015 4.320 -0.019 0.000 0.300 292 A C -0.984 176.914 177.584 0.523 0.000 1.252 292 A CA -0.403 51.807 52.037 0.288 0.000 0.753 292 A CB 0.016 19.198 19.000 0.302 0.000 1.144 292 A HN 0.364 nan 8.150 nan 0.000 0.457 293 M N 0.751 120.549 119.600 0.329 0.000 2.413 293 M HA 0.686 5.155 4.480 -0.019 0.000 0.287 293 M C -1.544 174.747 176.300 -0.014 0.000 1.186 293 M CA -0.500 54.947 55.300 0.245 0.000 0.927 293 M CB 1.797 34.492 32.600 0.158 0.000 1.715 293 M HN 0.379 nan 8.290 nan 0.000 0.478 294 Q N 0.627 120.182 119.800 -0.409 0.000 2.331 294 Q HA 0.428 4.756 4.340 -0.019 0.000 0.272 294 Q C 0.128 175.917 176.000 -0.352 0.000 1.062 294 Q CA -0.780 54.745 55.803 -0.463 0.000 0.806 294 Q CB 2.893 31.255 28.738 -0.626 0.000 1.312 294 Q HN 0.885 nan 8.270 nan 0.000 0.431 295 T N 1.233 115.712 114.554 -0.124 0.000 2.624 295 T HA -0.182 4.156 4.350 -0.019 0.000 0.266 295 T C 1.214 175.907 174.700 -0.012 0.000 1.050 295 T CA 1.357 63.430 62.100 -0.045 0.000 1.163 295 T CB -0.003 68.856 68.868 -0.014 0.000 0.861 295 T HN 0.385 nan 8.240 nan 0.000 0.443 296 L N 0.802 122.060 121.223 0.058 0.000 2.627 296 L HA 0.193 4.521 4.340 -0.019 0.000 0.232 296 L C 0.589 177.568 176.870 0.182 0.000 1.150 296 L CA 0.456 55.387 54.840 0.151 0.000 0.917 296 L CB -1.510 40.667 42.059 0.197 0.000 1.104 296 L HN 0.486 nan 8.230 nan 0.000 0.445 297 H N -0.119 118.879 119.070 -0.120 0.000 3.034 297 H HA 0.145 4.689 4.556 -0.019 0.000 0.324 297 H C 1.289 176.505 175.328 -0.187 0.000 1.015 297 H CA 0.406 56.267 56.048 -0.312 0.000 1.429 297 H CB 0.588 30.116 29.762 -0.391 0.000 1.429 297 H HN 0.418 nan 8.280 nan 0.000 0.585 298 G N 3.227 111.959 108.800 -0.112 0.000 2.153 298 G HA2 -0.354 3.594 3.960 -0.019 0.000 0.252 298 G HA3 -0.354 3.594 3.960 -0.019 0.000 0.252 298 G C 0.096 174.888 174.900 -0.179 0.000 0.994 298 G CA 0.344 45.301 45.100 -0.238 0.000 0.698 298 G HN 0.915 nan 8.290 nan 0.000 0.521 299 N N 0.342 118.988 118.700 -0.090 0.000 2.407 299 N HA 0.369 5.097 4.740 -0.019 0.000 0.250 299 N C -0.563 174.890 175.510 -0.095 0.000 1.236 299 N CA -0.671 52.346 53.050 -0.055 0.000 0.879 299 N CB 0.946 39.436 38.487 0.006 0.000 1.088 299 N HN 0.133 nan 8.380 nan 0.000 0.450 300 P HA -0.102 nan 4.420 nan 0.000 0.226 300 P C 0.927 178.190 177.300 -0.061 0.000 1.153 300 P CA 1.022 64.076 63.100 -0.077 0.000 0.777 300 P CB 0.167 31.838 31.700 -0.049 0.000 0.794 301 I N -0.449 120.096 120.570 -0.041 0.000 2.277 301 I HA -0.145 4.014 4.170 -0.019 0.000 0.243 301 I C 2.427 178.528 176.117 -0.026 0.000 1.094 301 I CA 1.104 62.390 61.300 -0.023 0.000 1.393 301 I CB -0.753 37.242 38.000 -0.008 0.000 1.078 301 I HN -0.088 nan 8.210 nan 0.000 0.417 302 S N 1.077 116.758 115.700 -0.030 0.000 2.356 302 S HA -0.173 4.285 4.470 -0.019 0.000 0.223 302 S C 2.297 176.850 174.600 -0.079 0.000 1.032 302 S CA 1.392 59.574 58.200 -0.031 0.000 1.005 302 S CB -0.427 62.768 63.200 -0.008 0.000 0.867 302 S HN 0.520 nan 8.310 nan 0.000 0.449 303 A N 1.656 124.384 122.820 -0.153 0.000 1.908 303 A HA -0.004 4.305 4.320 -0.019 0.000 0.218 303 A C 2.359 179.878 177.584 -0.109 0.000 1.181 303 A CA 1.899 53.806 52.037 -0.216 0.000 0.627 303 A CB -1.124 17.695 19.000 -0.300 0.000 0.818 303 A HN 0.536 nan 8.150 nan 0.000 0.445 304 A N -0.345 122.433 122.820 -0.070 0.000 1.930 304 A HA 0.217 4.525 4.320 -0.019 0.000 0.217 304 A C 2.509 180.082 177.584 -0.017 0.000 1.175 304 A CA 1.933 53.949 52.037 -0.035 0.000 0.627 304 A CB -1.022 17.964 19.000 -0.023 0.000 0.815 304 A HN 1.087 nan 8.150 nan 0.000 0.443 305 A N -0.254 122.558 122.820 -0.015 0.000 1.892 305 A HA 0.025 4.334 4.320 -0.019 0.000 0.218 305 A C 2.441 180.024 177.584 -0.002 0.000 1.188 305 A CA 2.152 54.188 52.037 -0.001 0.000 0.631 305 A CB -1.499 17.506 19.000 0.008 0.000 0.822 305 A HN 0.768 nan 8.150 nan 0.000 0.447 306 G N -0.588 108.209 108.800 -0.005 0.000 2.418 306 G HA2 -0.158 3.790 3.960 -0.019 0.000 0.217 306 G HA3 -0.158 3.790 3.960 -0.019 0.000 0.217 306 G C 1.575 176.486 174.900 0.019 0.000 1.158 306 G CA 1.056 46.166 45.100 0.016 0.000 0.771 306 G HN 0.414 nan 8.290 nan 0.000 0.545 307 L N 0.702 121.929 121.223 0.006 0.000 2.042 307 L HA -0.040 4.288 4.340 -0.019 0.000 0.210 307 L C 3.338 180.213 176.870 0.008 0.000 1.076 307 L CA 1.419 56.267 54.840 0.014 0.000 0.749 307 L CB -0.216 41.846 42.059 0.004 0.000 0.893 307 L HN 0.292 nan 8.230 nan 0.000 0.432 308 A N -1.164 121.656 122.820 0.001 0.000 1.930 308 A HA -0.140 4.168 4.320 -0.019 0.000 0.217 308 A C 2.285 179.848 177.584 -0.034 0.000 1.175 308 A CA 1.671 53.704 52.037 -0.006 0.000 0.627 308 A CB -0.785 18.217 19.000 0.002 0.000 0.815 308 A HN 0.214 nan 8.150 nan 0.000 0.443 309 V N 0.242 120.135 119.914 -0.036 0.000 2.295 309 V HA -0.260 3.849 4.120 -0.019 0.000 0.246 309 V C 2.572 178.644 176.094 -0.037 0.000 1.049 309 V CA 2.022 64.289 62.300 -0.055 0.000 1.024 309 V CB -0.716 31.091 31.823 -0.026 0.000 0.648 309 V HN 0.578 nan 8.190 nan 0.000 0.447 310 L N -0.591 120.628 121.223 -0.006 0.000 2.093 310 L HA -0.179 4.149 4.340 -0.019 0.000 0.208 310 L C 2.541 179.409 176.870 -0.004 0.000 1.085 310 L CA 1.606 56.449 54.840 0.004 0.000 0.755 310 L CB -0.634 41.445 42.059 0.033 0.000 0.904 310 L HN 0.384 nan 8.230 nan 0.000 0.435 311 E N -0.249 119.951 120.200 -0.001 0.000 2.051 311 E HA -0.184 4.154 4.350 -0.019 0.000 0.192 311 E C 2.107 178.704 176.600 -0.005 0.000 0.991 311 E CA 1.921 58.323 56.400 0.003 0.000 0.799 311 E CB -0.055 29.651 29.700 0.011 0.000 0.748 311 E HN 0.413 nan 8.360 nan 0.000 0.449 312 T N 1.250 115.790 114.554 -0.023 0.000 2.746 312 T HA -0.146 4.192 4.350 -0.019 0.000 0.267 312 T C 1.938 176.616 174.700 -0.036 0.000 1.039 312 T CA 0.920 62.999 62.100 -0.036 0.000 1.142 312 T CB -0.236 68.552 68.868 -0.135 0.000 0.866 312 T HN 0.115 nan 8.240 nan 0.000 0.444 313 I N 1.264 121.806 120.570 -0.046 0.000 2.151 313 I HA -0.247 3.912 4.170 -0.019 0.000 0.243 313 I C 2.316 178.414 176.117 -0.031 0.000 1.080 313 I CA 1.414 62.689 61.300 -0.042 0.000 1.339 313 I CB -0.334 37.637 38.000 -0.047 0.000 1.039 313 I HN 0.176 nan 8.210 nan 0.000 0.409 314 D N 0.021 120.408 120.400 -0.022 0.000 2.110 314 D HA -0.145 4.484 4.640 -0.019 0.000 0.202 314 D C 2.145 178.441 176.300 -0.007 0.000 0.975 314 D CA 0.929 54.920 54.000 -0.016 0.000 0.839 314 D CB -0.345 40.450 40.800 -0.009 0.000 0.996 314 D HN 0.173 nan 8.370 nan 0.000 0.464 315 R N 0.650 121.151 120.500 0.001 0.000 2.113 315 R HA -0.158 4.170 4.340 -0.019 0.000 0.244 315 R C 0.383 176.690 176.300 0.013 0.000 1.142 315 R CA 1.791 57.898 56.100 0.011 0.000 0.953 315 R CB 0.029 30.342 30.300 0.022 0.000 0.860 315 R HN 0.013 nan 8.270 nan 0.000 0.438 316 D N 0.194 120.601 120.400 0.013 0.000 2.368 316 D HA 0.024 4.652 4.640 -0.019 0.000 0.218 316 D C -0.485 175.818 176.300 0.005 0.000 1.112 316 D CA 0.161 54.172 54.000 0.018 0.000 0.834 316 D CB 0.043 40.865 40.800 0.038 0.000 0.953 316 D HN 0.232 nan 8.370 nan 0.000 0.505 317 D N 0.881 121.278 120.400 -0.005 0.000 2.740 317 D HA -0.211 4.418 4.640 -0.019 0.000 0.231 317 D C 1.159 177.450 176.300 -0.015 0.000 1.194 317 D CA 0.156 54.148 54.000 -0.013 0.000 0.673 317 D CB -0.870 39.924 40.800 -0.010 0.000 0.995 317 D HN 0.294 nan 8.370 nan 0.000 0.411 318 L N -0.217 120.993 121.223 -0.021 0.000 2.201 318 L HA -0.067 4.261 4.340 -0.019 0.000 0.212 318 L C -0.514 176.342 176.870 -0.023 0.000 1.105 318 L CA 0.879 55.706 54.840 -0.021 0.000 0.775 318 L CB -1.133 40.907 42.059 -0.031 0.000 0.913 318 L HN 0.247 nan 8.230 nan 0.000 0.440 319 P HA -0.133 nan 4.420 nan 0.000 0.217 319 P C 1.525 178.816 177.300 -0.015 0.000 1.150 319 P CA 1.587 64.668 63.100 -0.030 0.000 0.832 319 P CB 0.079 31.744 31.700 -0.058 0.000 0.787 320 A N -1.140 121.670 122.820 -0.016 0.000 1.929 320 A HA -0.138 4.171 4.320 -0.019 0.000 0.216 320 A C 2.237 179.818 177.584 -0.004 0.000 1.176 320 A CA 1.479 53.511 52.037 -0.008 0.000 0.628 320 A CB -1.408 17.586 19.000 -0.010 0.000 0.816 320 A HN 0.071 nan 8.150 nan 0.000 0.444 321 M N -0.494 119.103 119.600 -0.005 0.000 2.080 321 M HA -0.213 4.255 4.480 -0.019 0.000 0.260 321 M C 2.566 178.863 176.300 -0.005 0.000 1.068 321 M CA 1.661 56.959 55.300 -0.004 0.000 1.109 321 M CB -0.414 32.185 32.600 -0.002 0.000 1.342 321 M HN 0.500 nan 8.290 nan 0.000 0.405 322 A N -0.208 122.610 122.820 -0.004 0.000 1.908 322 A HA -0.237 4.071 4.320 -0.019 0.000 0.218 322 A C 1.866 179.450 177.584 0.001 0.000 1.181 322 A CA 2.197 54.234 52.037 -0.000 0.000 0.627 322 A CB -0.753 18.251 19.000 0.007 0.000 0.818 322 A HN 0.505 nan 8.150 nan 0.000 0.445 323 E N -0.017 120.188 120.200 0.008 0.000 2.031 323 E HA -0.211 4.128 4.350 -0.019 0.000 0.193 323 E C 2.205 178.804 176.600 -0.001 0.000 0.994 323 E CA 1.754 58.161 56.400 0.012 0.000 0.800 323 E CB -0.272 29.442 29.700 0.023 0.000 0.752 323 E HN 0.555 nan 8.360 nan 0.000 0.447 324 R N 0.130 120.628 120.500 -0.004 0.000 2.073 324 R HA -0.115 4.214 4.340 -0.019 0.000 0.234 324 R C 2.166 178.453 176.300 -0.021 0.000 1.134 324 R CA 1.940 58.035 56.100 -0.008 0.000 0.952 324 R CB -0.075 30.223 30.300 -0.004 0.000 0.850 324 R HN 0.069 nan 8.270 nan 0.000 0.433 325 K N -0.907 119.477 120.400 -0.027 0.000 2.217 325 K HA -0.013 4.295 4.320 -0.019 0.000 0.202 325 K C 1.989 178.550 176.600 -0.065 0.000 1.051 325 K CA 1.054 57.312 56.287 -0.048 0.000 0.952 325 K CB -0.068 32.408 32.500 -0.041 0.000 0.736 325 K HN 0.352 nan 8.250 nan 0.000 0.453 326 G N 1.534 110.306 108.800 -0.047 0.000 2.402 326 G HA2 -0.225 3.724 3.960 -0.019 0.000 0.216 326 G HA3 -0.225 3.724 3.960 -0.019 0.000 0.216 326 G C 1.533 176.393 174.900 -0.067 0.000 1.162 326 G CA 0.250 45.318 45.100 -0.054 0.000 0.777 326 G HN 0.074 nan 8.290 nan 0.000 0.539 327 R N -0.271 120.200 120.500 -0.048 0.000 2.091 327 R HA -0.021 4.307 4.340 -0.019 0.000 0.238 327 R C 2.531 178.796 176.300 -0.059 0.000 1.136 327 R CA 1.017 57.091 56.100 -0.044 0.000 0.959 327 R CB -1.063 29.222 30.300 -0.024 0.000 0.856 327 R HN 0.429 nan 8.270 nan 0.000 0.437 328 L N 0.935 122.117 121.223 -0.069 0.000 2.017 328 L HA -0.166 4.162 4.340 -0.019 0.000 0.208 328 L C 2.308 179.091 176.870 -0.146 0.000 1.073 328 L CA 1.413 56.197 54.840 -0.093 0.000 0.745 328 L CB -0.692 41.299 42.059 -0.112 0.000 0.894 328 L HN 0.106 nan 8.230 nan 0.000 0.432 329 L N -0.290 120.829 121.223 -0.173 0.000 1.989 329 L HA -0.227 4.101 4.340 -0.019 0.000 0.211 329 L C 2.667 179.406 176.870 -0.219 0.000 1.071 329 L CA 1.868 56.571 54.840 -0.228 0.000 0.749 329 L CB -0.596 41.315 42.059 -0.247 0.000 0.890 329 L HN 0.226 nan 8.230 nan 0.000 0.431 330 R N -0.587 119.814 120.500 -0.166 0.000 2.115 330 R HA -0.119 4.209 4.340 -0.019 0.000 0.230 330 R C 1.892 178.136 176.300 -0.093 0.000 1.111 330 R CA 1.168 57.187 56.100 -0.134 0.000 0.976 330 R CB -0.456 29.789 30.300 -0.091 0.000 0.870 330 R HN 0.467 nan 8.270 nan 0.000 0.445 331 D N -0.055 120.300 120.400 -0.075 0.000 2.097 331 D HA -0.104 4.525 4.640 -0.019 0.000 0.195 331 D C 1.917 178.190 176.300 -0.045 0.000 0.989 331 D CA 1.564 55.536 54.000 -0.046 0.000 0.827 331 D CB -0.556 40.228 40.800 -0.027 0.000 0.966 331 D HN 0.326 nan 8.370 nan 0.000 0.456 332 G N 1.014 109.776 108.800 -0.064 0.000 2.476 332 G HA2 -0.237 3.711 3.960 -0.019 0.000 0.218 332 G HA3 -0.237 3.711 3.960 -0.019 0.000 0.218 332 G C 1.803 176.670 174.900 -0.055 0.000 1.164 332 G CA 0.574 45.643 45.100 -0.051 0.000 0.768 332 G HN 0.270 nan 8.290 nan 0.000 0.560 333 L N 0.673 121.836 121.223 -0.100 0.000 2.079 333 L HA -0.105 4.224 4.340 -0.019 0.000 0.210 333 L C 3.163 180.006 176.870 -0.045 0.000 1.081 333 L CA 1.254 56.045 54.840 -0.080 0.000 0.752 333 L CB -0.425 41.554 42.059 -0.135 0.000 0.896 333 L HN 0.180 nan 8.230 nan 0.000 0.433 334 S N -0.675 114.997 115.700 -0.046 0.000 2.399 334 S HA -0.182 4.277 4.470 -0.019 0.000 0.231 334 S C 1.868 176.450 174.600 -0.030 0.000 1.022 334 S CA 1.103 59.282 58.200 -0.035 0.000 0.983 334 S CB -0.110 63.072 63.200 -0.030 0.000 0.803 334 S HN 0.334 nan 8.310 nan 0.000 0.480 335 E N 1.207 121.394 120.200 -0.022 0.000 2.072 335 E HA -0.020 4.318 4.350 -0.019 0.000 0.191 335 E C 1.737 178.327 176.600 -0.016 0.000 0.985 335 E CA 0.710 57.101 56.400 -0.016 0.000 0.801 335 E CB -0.326 29.373 29.700 -0.001 0.000 0.750 335 E HN 0.249 nan 8.360 nan 0.000 0.452 336 L N 0.064 121.288 121.223 0.003 0.000 2.191 336 L HA -0.035 4.293 4.340 -0.019 0.000 0.212 336 L C 2.145 179.000 176.870 -0.025 0.000 1.103 336 L CA 1.628 56.492 54.840 0.040 0.000 0.769 336 L CB -0.990 41.107 42.059 0.063 0.000 0.908 336 L HN 0.134 nan 8.230 nan 0.000 0.438 337 A N -0.954 121.830 122.820 -0.059 0.000 2.015 337 A HA -0.188 4.121 4.320 -0.019 0.000 0.219 337 A C 2.334 179.871 177.584 -0.079 0.000 1.163 337 A CA 1.287 53.277 52.037 -0.078 0.000 0.646 337 A CB -0.359 18.609 19.000 -0.054 0.000 0.806 337 A HN 0.352 nan 8.150 nan 0.000 0.448 338 K N -0.699 119.657 120.400 -0.074 0.000 2.211 338 K HA -0.069 4.240 4.320 -0.019 0.000 0.203 338 K C 2.018 178.541 176.600 -0.128 0.000 1.050 338 K CA 1.364 57.603 56.287 -0.080 0.000 0.945 338 K CB -0.055 32.407 32.500 -0.062 0.000 0.732 338 K HN 0.425 nan 8.250 nan 0.000 0.451 339 R N -0.897 119.483 120.500 -0.200 0.000 2.225 339 R HA 0.109 4.438 4.340 -0.019 0.000 0.194 339 R C 0.102 176.051 176.300 -0.584 0.000 0.957 339 R CA 0.305 56.178 56.100 -0.379 0.000 1.042 339 R CB 0.491 30.526 30.300 -0.442 0.000 1.004 339 R HN 0.130 nan 8.270 nan 0.000 0.509 340 H N 0.272 119.224 119.070 -0.196 0.000 2.762 340 H HA 0.193 4.738 4.556 -0.019 0.000 0.310 340 H C -2.059 173.141 175.328 -0.213 0.000 1.004 340 H CA -2.269 53.620 56.048 -0.265 0.000 1.267 340 H CB 1.858 31.262 29.762 -0.598 0.000 1.437 340 H HN -0.128 nan 8.280 nan 0.000 0.498 341 P HA -0.103 nan 4.420 nan 0.000 0.221 341 P C 1.671 178.971 177.300 -0.001 0.000 1.145 341 P CA 0.643 63.731 63.100 -0.018 0.000 0.795 341 P CB 0.439 32.138 31.700 -0.002 0.000 0.775 342 L N -1.196 120.030 121.223 0.006 0.000 2.187 342 L HA -0.103 4.225 4.340 -0.019 0.000 0.213 342 L C 1.151 178.044 176.870 0.038 0.000 1.100 342 L CA 0.631 55.500 54.840 0.048 0.000 0.765 342 L CB -0.616 41.519 42.059 0.127 0.000 0.904 342 L HN -0.048 nan 8.230 nan 0.000 0.437 343 I N -0.024 120.523 120.570 -0.038 0.000 2.505 343 I HA -0.016 4.143 4.170 -0.019 0.000 0.287 343 I C 1.341 177.459 176.117 0.002 0.000 1.104 343 I CA 0.170 61.458 61.300 -0.021 0.000 1.387 343 I CB 0.987 38.936 38.000 -0.085 0.000 1.404 343 I HN 0.023 nan 8.210 nan 0.000 0.528 344 G N 4.374 113.180 108.800 0.010 0.000 2.720 344 G HA2 0.016 3.965 3.960 -0.019 0.000 0.204 344 G HA3 0.016 3.965 3.960 -0.019 0.000 0.204 344 G C -0.150 174.690 174.900 -0.101 0.000 1.113 344 G CA 0.211 45.335 45.100 0.041 0.000 0.805 344 G HN 0.556 nan 8.290 nan 0.000 0.536 345 D N -0.535 119.695 120.400 -0.283 0.000 2.936 345 D HA 0.503 5.132 4.640 -0.019 0.000 0.238 345 D C -1.211 174.972 176.300 -0.194 0.000 1.248 345 D CA -0.504 53.266 54.000 -0.383 0.000 0.903 345 D CB 1.900 42.106 40.800 -0.991 0.000 1.544 345 D HN -0.030 nan 8.370 nan 0.000 0.543 346 I N 3.960 124.464 120.570 -0.110 0.000 2.378 346 I HA 0.551 4.709 4.170 -0.019 0.000 0.291 346 I C 0.021 176.110 176.117 -0.046 0.000 0.992 346 I CA -0.568 60.701 61.300 -0.051 0.000 1.154 346 I CB 1.176 39.153 38.000 -0.038 0.000 1.315 346 I HN 0.328 nan 8.210 nan 0.000 0.448 347 R N 4.365 124.852 120.500 -0.022 0.000 2.799 347 R HA 0.984 5.312 4.340 -0.019 0.000 0.270 347 R C -0.601 175.704 176.300 0.007 0.000 1.010 347 R CA -1.135 54.957 56.100 -0.014 0.000 0.916 347 R CB 2.147 32.434 30.300 -0.020 0.000 1.228 347 R HN 0.751 nan 8.270 nan 0.000 0.469 348 G N 0.456 109.255 108.800 -0.001 0.000 2.369 348 G HA2 0.166 4.115 3.960 -0.019 0.000 0.307 348 G HA3 0.166 4.115 3.960 -0.019 0.000 0.307 348 G C -1.725 173.154 174.900 -0.036 0.000 1.327 348 G CA -1.167 43.932 45.100 -0.001 0.000 0.963 348 G HN 0.540 nan 8.290 nan 0.000 0.590 349 R N -0.211 120.260 120.500 -0.049 0.000 2.628 349 R HA 0.626 4.955 4.340 -0.019 0.000 0.288 349 R C 0.883 177.158 176.300 -0.041 0.000 0.980 349 R CA 0.052 56.090 56.100 -0.102 0.000 0.891 349 R CB 1.695 31.845 30.300 -0.251 0.000 1.188 349 R HN 2.231 nan 8.270 nan 0.000 0.450 350 G N 2.103 110.889 108.800 -0.024 0.000 2.634 350 G HA2 -0.343 3.606 3.960 -0.019 0.000 0.309 350 G HA3 -0.343 3.606 3.960 -0.019 0.000 0.309 350 G C 0.241 175.142 174.900 0.002 0.000 1.265 350 G CA 0.111 45.212 45.100 0.003 0.000 0.998 350 G HN 0.516 nan 8.290 nan 0.000 0.551 351 L N 1.771 123.004 121.223 0.017 0.000 2.928 351 L HA 0.561 4.890 4.340 -0.019 0.000 0.236 351 L C 1.120 178.026 176.870 0.060 0.000 1.290 351 L CA 0.415 55.272 54.840 0.029 0.000 1.099 351 L CB -0.078 41.994 42.059 0.022 0.000 1.437 351 L HN 0.737 nan 8.230 nan 0.000 0.493 352 A N 0.239 123.094 122.820 0.059 0.000 2.536 352 A HA 0.590 4.899 4.320 -0.019 0.000 0.329 352 A C -0.491 177.144 177.584 0.086 0.000 1.321 352 A CA -0.378 51.709 52.037 0.083 0.000 0.804 352 A CB 0.166 19.210 19.000 0.073 0.000 1.126 352 A HN 0.333 nan 8.150 nan 0.000 0.480 353 C N 0.843 120.230 119.300 0.146 0.000 2.614 353 C HA 0.958 5.407 4.460 -0.019 0.000 0.320 353 C C 0.807 175.961 174.990 0.273 0.000 1.200 353 C CA -0.561 58.559 59.018 0.169 0.000 1.700 353 C CB 1.540 29.353 27.740 0.122 0.000 2.275 353 C HN 1.000 nan 8.230 nan 0.000 0.492 354 G N 1.230 110.151 108.800 0.202 0.000 2.519 354 G HA2 0.738 4.686 3.960 -0.019 0.000 0.307 354 G HA3 0.738 4.686 3.960 -0.019 0.000 0.307 354 G C -1.387 173.629 174.900 0.194 0.000 1.266 354 G CA -0.445 44.765 45.100 0.183 0.000 0.970 354 G HN 0.764 nan 8.290 nan 0.000 0.481 355 M N 1.851 121.575 119.600 0.207 0.000 2.124 355 M HA 0.401 4.870 4.480 -0.019 0.000 0.280 355 M C -0.966 175.385 176.300 0.086 0.000 0.954 355 M CA -0.548 54.854 55.300 0.169 0.000 0.958 355 M CB 1.792 34.597 32.600 0.342 0.000 1.611 355 M HN 0.593 nan 8.290 nan 0.000 0.449 356 E N 4.847 125.037 120.200 -0.017 0.000 2.259 356 E HA 0.465 4.803 4.350 -0.019 0.000 0.281 356 E C -1.606 175.006 176.600 0.019 0.000 1.027 356 E CA -0.485 55.898 56.400 -0.029 0.000 0.838 356 E CB 1.080 30.695 29.700 -0.142 0.000 1.066 356 E HN 0.734 nan 8.360 nan 0.000 0.401 357 L N 5.620 126.882 121.223 0.064 0.000 2.287 357 L HA 0.463 4.791 4.340 -0.019 0.000 0.287 357 L C -0.461 176.462 176.870 0.089 0.000 1.022 357 L CA -1.041 53.855 54.840 0.093 0.000 0.814 357 L CB 1.161 43.290 42.059 0.117 0.000 1.217 357 L HN 0.402 nan 8.230 nan 0.000 0.420 358 V N -1.094 118.879 119.914 0.099 0.000 2.914 358 V HA 0.382 4.490 4.120 -0.019 0.000 0.314 358 V C 0.489 176.629 176.094 0.076 0.000 1.084 358 V CA -0.726 61.635 62.300 0.102 0.000 0.963 358 V CB 1.576 33.490 31.823 0.152 0.000 1.025 358 V HN 0.896 nan 8.190 nan 0.000 0.432 359 C N 1.431 120.768 119.300 0.061 0.000 2.467 359 C HA 0.201 4.650 4.460 -0.019 0.000 0.279 359 C C 0.845 175.860 174.990 0.042 0.000 1.347 359 C CA 1.328 60.374 59.018 0.047 0.000 1.748 359 C CB -1.179 26.582 27.740 0.036 0.000 1.977 359 C HN 1.090 nan 8.230 nan 0.000 0.501 360 D N -1.859 118.567 120.400 0.043 0.000 2.879 360 D HA 0.304 4.932 4.640 -0.019 0.000 0.236 360 D C 0.690 177.019 176.300 0.048 0.000 1.171 360 D CA -0.549 53.473 54.000 0.036 0.000 0.868 360 D CB 0.935 41.748 40.800 0.021 0.000 1.598 360 D HN -0.045 nan 8.370 nan 0.000 0.497 361 R N 1.211 121.741 120.500 0.050 0.000 2.235 361 R HA -0.022 4.307 4.340 -0.019 0.000 0.213 361 R C 1.205 177.531 176.300 0.042 0.000 1.059 361 R CA 0.839 56.982 56.100 0.071 0.000 0.997 361 R CB 0.211 30.550 30.300 0.065 0.000 0.884 361 R HN 0.510 nan 8.270 nan 0.000 0.462 362 Q N -0.402 119.407 119.800 0.014 0.000 2.304 362 Q HA 0.021 4.350 4.340 -0.019 0.000 0.204 362 Q C 2.129 178.110 176.000 -0.032 0.000 0.936 362 Q CA 1.450 57.247 55.803 -0.010 0.000 0.878 362 Q CB -0.010 28.725 28.738 -0.006 0.000 0.983 362 Q HN 0.272 nan 8.270 nan 0.000 0.516 363 S N 0.548 116.238 115.700 -0.018 0.000 2.453 363 S HA -0.049 4.410 4.470 -0.019 0.000 0.231 363 S C 0.861 175.437 174.600 -0.040 0.000 1.005 363 S CA 0.338 58.523 58.200 -0.025 0.000 0.949 363 S CB -0.108 63.088 63.200 -0.007 0.000 0.774 363 S HN 0.336 nan 8.310 nan 0.000 0.510 364 R N 0.837 121.319 120.500 -0.031 0.000 3.741 364 R HA -0.119 4.209 4.340 -0.019 0.000 0.292 364 R C -0.441 175.870 176.300 0.018 0.000 1.176 364 R CA 0.952 57.035 56.100 -0.030 0.000 0.794 364 R CB -1.714 28.437 30.300 -0.248 0.000 1.213 364 R HN 0.600 nan 8.270 nan 0.000 0.494 365 E N 1.656 121.872 120.200 0.026 0.000 2.324 365 E HA 0.109 4.447 4.350 -0.019 0.000 0.271 365 E C -2.223 174.407 176.600 0.051 0.000 1.028 365 E CA -1.913 54.504 56.400 0.030 0.000 0.890 365 E CB 0.756 30.468 29.700 0.020 0.000 1.004 365 E HN -0.006 nan 8.360 nan 0.000 0.431 366 P HA 0.061 nan 4.420 nan 0.000 0.271 366 P C -1.218 176.101 177.300 0.032 0.000 1.216 366 P CA -0.026 63.105 63.100 0.050 0.000 0.771 366 P CB 0.823 32.546 31.700 0.038 0.000 0.864 367 A N 3.654 126.492 122.820 0.030 0.000 3.095 367 A HA 0.188 4.497 4.320 -0.019 0.000 0.301 367 A C 1.620 179.191 177.584 -0.021 0.000 1.432 367 A CA -0.415 51.633 52.037 0.018 0.000 1.140 367 A CB -0.765 18.259 19.000 0.040 0.000 1.174 367 A HN 0.545 nan 8.150 nan 0.000 0.546 368 R N 1.319 121.799 120.500 -0.034 0.000 2.073 368 R HA -0.140 4.188 4.340 -0.019 0.000 0.234 368 R C 2.033 178.271 176.300 -0.103 0.000 1.134 368 R CA 1.864 57.912 56.100 -0.087 0.000 0.952 368 R CB -0.156 30.118 30.300 -0.043 0.000 0.850 368 R HN 0.611 nan 8.270 nan 0.000 0.433 369 A N 0.954 123.751 122.820 -0.039 0.000 1.902 369 A HA -0.181 4.127 4.320 -0.019 0.000 0.217 369 A C 1.911 179.480 177.584 -0.025 0.000 1.181 369 A CA 1.810 53.837 52.037 -0.017 0.000 0.623 369 A CB -0.439 18.566 19.000 0.008 0.000 0.818 369 A HN 0.478 nan 8.150 nan 0.000 0.443 370 E N -0.519 119.668 120.200 -0.020 0.000 2.150 370 E HA -0.078 4.260 4.350 -0.019 0.000 0.193 370 E C 2.042 178.615 176.600 -0.044 0.000 0.985 370 E CA 1.593 57.988 56.400 -0.008 0.000 0.814 370 E CB -0.479 29.240 29.700 0.032 0.000 0.752 370 E HN 0.600 nan 8.360 nan 0.000 0.466 371 T N 0.401 114.896 114.554 -0.098 0.000 2.737 371 T HA -0.138 4.201 4.350 -0.019 0.000 0.265 371 T C 1.995 176.595 174.700 -0.168 0.000 1.038 371 T CA 1.288 63.286 62.100 -0.170 0.000 1.144 371 T CB -0.390 68.305 68.868 -0.288 0.000 0.866 371 T HN 0.292 nan 8.240 nan 0.000 0.434 372 A N 1.817 124.523 122.820 -0.190 0.000 1.908 372 A HA -0.161 4.147 4.320 -0.019 0.000 0.218 372 A C 2.244 179.923 177.584 0.159 0.000 1.181 372 A CA 1.713 53.793 52.037 0.072 0.000 0.627 372 A CB -0.462 18.616 19.000 0.130 0.000 0.818 372 A HN 0.475 nan 8.150 nan 0.000 0.445 373 K N -0.565 119.872 120.400 0.062 0.000 2.097 373 K HA 0.033 4.342 4.320 -0.019 0.000 0.205 373 K C 1.938 178.552 176.600 0.025 0.000 1.050 373 K CA 0.907 57.222 56.287 0.047 0.000 0.938 373 K CB -0.246 32.251 32.500 -0.006 0.000 0.718 373 K HN 0.414 nan 8.250 nan 0.000 0.442 374 L N 1.825 123.016 121.223 -0.053 0.000 2.056 374 L HA -0.134 4.194 4.340 -0.019 0.000 0.207 374 L C 2.195 178.974 176.870 -0.152 0.000 1.078 374 L CA 1.748 56.478 54.840 -0.184 0.000 0.749 374 L CB -0.410 41.458 42.059 -0.319 0.000 0.901 374 L HN 0.204 nan 8.230 nan 0.000 0.433 375 I N -3.876 116.668 120.570 -0.044 0.000 2.353 375 I HA -0.288 3.870 4.170 -0.019 0.000 0.248 375 I C 2.628 178.710 176.117 -0.059 0.000 1.119 375 I CA 1.207 62.478 61.300 -0.049 0.000 1.417 375 I CB -0.974 37.061 38.000 0.058 0.000 1.078 375 I HN 0.076 nan 8.210 nan 0.000 0.421 376 Y N 1.789 122.084 120.300 -0.008 0.000 2.114 376 Y HA -0.287 4.250 4.550 -0.022 0.000 0.284 376 Y C 2.919 178.749 175.900 -0.117 0.000 1.143 376 Y CA 1.821 59.909 58.100 -0.020 0.000 1.135 376 Y CB -0.083 38.419 38.460 0.070 0.000 0.980 376 Y HN 0.059 nan 8.280 nan 0.000 0.499 377 R N 0.905 121.506 120.500 0.168 0.000 2.094 377 R HA -0.204 4.124 4.340 -0.019 0.000 0.239 377 R C 2.290 178.518 176.300 -0.121 0.000 1.137 377 R CA 1.819 57.931 56.100 0.020 0.000 0.943 377 R CB -1.195 29.079 30.300 -0.043 0.000 0.850 377 R HN 0.437 nan 8.270 nan 0.000 0.433 378 A N -0.603 122.105 122.820 -0.187 0.000 1.948 378 A HA -0.231 4.077 4.320 -0.019 0.000 0.220 378 A C 2.172 179.559 177.584 -0.328 0.000 1.177 378 A CA 1.714 53.604 52.037 -0.245 0.000 0.636 378 A CB -1.006 17.839 19.000 -0.258 0.000 0.815 378 A HN 0.640 nan 8.150 nan 0.000 0.449 379 Y N 0.583 120.509 120.300 -0.624 0.000 2.145 379 Y HA -0.225 4.314 4.550 -0.019 0.000 0.286 379 Y C 2.375 177.987 175.900 -0.481 0.000 1.145 379 Y CA 2.194 59.796 58.100 -0.830 0.000 1.148 379 Y CB -0.657 36.791 38.460 -1.687 0.000 0.981 379 Y HN 0.451 nan 8.280 nan 0.000 0.507 380 Q N -0.521 118.890 119.800 -0.649 0.000 2.135 380 Q HA -0.172 4.156 4.340 -0.019 0.000 0.204 380 Q C 1.793 177.558 176.000 -0.393 0.000 0.981 380 Q CA 1.511 56.998 55.803 -0.527 0.000 0.856 380 Q CB -0.196 28.434 28.738 -0.180 0.000 0.902 380 Q HN 0.372 nan 8.270 nan 0.000 0.425 381 L N -1.168 119.877 121.223 -0.297 0.000 2.478 381 L HA 0.084 4.413 4.340 -0.019 0.000 0.223 381 L C 1.204 177.945 176.870 -0.215 0.000 1.140 381 L CA 1.516 56.230 54.840 -0.210 0.000 0.842 381 L CB -0.770 41.200 42.059 -0.149 0.000 0.953 381 L HN 0.419 nan 8.230 nan 0.000 0.452 382 G N 0.035 108.660 108.800 -0.291 0.000 2.226 382 G HA2 -0.171 3.777 3.960 -0.019 0.000 0.176 382 G HA3 -0.171 3.777 3.960 -0.019 0.000 0.176 382 G C -0.514 174.283 174.900 -0.171 0.000 1.042 382 G CA 0.021 44.986 45.100 -0.226 0.000 0.732 382 G HN 0.187 nan 8.290 nan 0.000 0.494 383 L N 0.426 121.522 121.223 -0.210 0.000 2.436 383 L HA 0.795 5.123 4.340 -0.019 0.000 0.268 383 L C -0.416 176.315 176.870 -0.232 0.000 0.974 383 L CA -1.039 53.698 54.840 -0.171 0.000 0.826 383 L CB 2.403 44.370 42.059 -0.153 0.000 1.291 383 L HN 0.118 nan 8.230 nan 0.000 0.406 384 V N 5.636 125.439 119.914 -0.185 0.000 2.328 384 V HA 0.712 4.820 4.120 -0.019 0.000 0.278 384 V C -0.556 175.317 176.094 -0.368 0.000 1.021 384 V CA -0.489 61.656 62.300 -0.258 0.000 0.838 384 V CB 1.416 33.168 31.823 -0.118 0.000 0.999 384 V HN 0.571 nan 8.190 nan 0.000 0.447 385 V N 6.598 126.179 119.914 -0.555 0.000 2.932 385 V HA 0.675 4.784 4.120 -0.019 0.000 0.307 385 V C -1.855 173.789 176.094 -0.749 0.000 1.147 385 V CA -0.417 61.534 62.300 -0.581 0.000 0.951 385 V CB 2.464 34.045 31.823 -0.403 0.000 1.031 385 V HN 0.732 nan 8.190 nan 0.000 0.426 386 Y N 4.664 124.707 120.300 -0.428 0.000 2.630 386 Y HA 0.740 5.278 4.550 -0.020 0.000 0.337 386 Y C -0.437 175.264 175.900 -0.332 0.000 1.051 386 Y CA -0.753 57.027 58.100 -0.533 0.000 1.121 386 Y CB 1.980 39.938 38.460 -0.836 0.000 1.299 386 Y HN 0.769 nan 8.280 nan 0.000 0.498 387 Y N -0.358 119.890 120.300 -0.087 0.000 2.509 387 Y HA 0.839 5.378 4.550 -0.020 0.000 0.341 387 Y C -0.814 175.242 175.900 0.260 0.000 1.038 387 Y CA -1.370 56.744 58.100 0.023 0.000 1.089 387 Y CB 1.088 39.547 38.460 -0.003 0.000 1.241 387 Y HN 0.446 nan 8.280 nan 0.000 0.468 388 V N -1.245 118.873 119.914 0.341 0.000 3.087 388 V HA 1.079 5.187 4.120 -0.019 0.000 0.311 388 V C -0.030 176.097 176.094 0.054 0.000 1.333 388 V CA -0.915 61.479 62.300 0.156 0.000 1.054 388 V CB 1.027 32.909 31.823 0.098 0.000 1.123 388 V HN 1.964 nan 8.190 nan 0.000 0.473 389 G N -0.426 108.303 108.800 -0.119 0.000 2.576 389 G HA2 0.041 3.989 3.960 -0.019 0.000 0.686 389 G HA3 0.041 3.989 3.960 -0.019 0.000 0.686 389 G C -0.194 174.620 174.900 -0.142 0.000 1.242 389 G CA -0.164 44.881 45.100 -0.093 0.000 0.819 389 G HN 1.286 nan 8.290 nan 0.000 0.655 390 M N 0.541 120.077 119.600 -0.106 0.000 2.195 390 M HA -0.115 4.354 4.480 -0.019 0.000 0.260 390 M C 1.635 177.898 176.300 -0.061 0.000 1.066 390 M CA 2.185 57.431 55.300 -0.090 0.000 1.089 390 M CB -0.896 31.678 32.600 -0.044 0.000 1.377 390 M HN 0.571 nan 8.290 nan 0.000 0.411 391 N N -0.295 118.387 118.700 -0.029 0.000 2.203 391 N HA 0.306 5.034 4.740 -0.019 0.000 0.207 391 N C 0.826 176.333 175.510 -0.005 0.000 1.130 391 N CA 0.421 53.467 53.050 -0.006 0.000 0.861 391 N CB 0.636 39.130 38.487 0.013 0.000 1.005 391 N HN 0.565 nan 8.380 nan 0.000 0.507 392 G N 2.100 110.906 108.800 0.009 0.000 2.225 392 G HA2 -0.319 3.629 3.960 -0.019 0.000 0.267 392 G HA3 -0.319 3.629 3.960 -0.019 0.000 0.267 392 G C 0.377 175.209 174.900 -0.113 0.000 1.024 392 G CA 0.733 45.875 45.100 0.071 0.000 0.784 392 G HN 0.608 nan 8.290 nan 0.000 0.507 393 N N -1.145 117.539 118.700 -0.027 0.000 2.238 393 N HA 0.232 4.960 4.740 -0.019 0.000 0.235 393 N C -0.206 175.314 175.510 0.018 0.000 1.209 393 N CA 0.213 53.235 53.050 -0.046 0.000 0.879 393 N CB 0.749 39.231 38.487 -0.009 0.000 1.136 393 N HN 0.297 nan 8.380 nan 0.000 0.517 394 V N 2.025 121.978 119.914 0.065 0.000 2.350 394 V HA 0.361 4.470 4.120 -0.019 0.000 0.285 394 V C 0.317 176.455 176.094 0.073 0.000 1.014 394 V CA -0.848 61.488 62.300 0.061 0.000 0.831 394 V CB 1.905 33.752 31.823 0.041 0.000 1.000 394 V HN 0.154 nan 8.190 nan 0.000 0.433 395 L N 4.221 125.450 121.223 0.009 0.000 2.410 395 L HA 0.377 4.705 4.340 -0.019 0.000 0.273 395 L C 0.568 177.262 176.870 -0.292 0.000 1.152 395 L CA 0.247 54.987 54.840 -0.167 0.000 0.855 395 L CB 0.845 42.733 42.059 -0.285 0.000 1.129 395 L HN 0.737 nan 8.230 nan 0.000 0.463 396 E N 3.417 123.408 120.200 -0.348 0.000 2.175 396 E HA 0.368 4.706 4.350 -0.019 0.000 0.278 396 E C -1.586 174.730 176.600 -0.474 0.000 0.969 396 E CA -0.610 55.647 56.400 -0.238 0.000 0.796 396 E CB 0.987 30.680 29.700 -0.013 0.000 1.104 396 E HN 0.309 nan 8.360 nan 0.000 0.395 397 F N 2.730 122.686 119.950 0.010 0.000 2.382 397 F HA 0.244 4.760 4.527 -0.018 0.000 0.361 397 F C 0.217 176.018 175.800 0.000 0.000 1.109 397 F CA -0.674 57.318 58.000 -0.013 0.000 1.031 397 F CB 1.994 40.984 39.000 -0.018 0.000 1.234 397 F HN 0.369 nan 8.300 nan 0.000 0.445 398 T N 0.829 115.458 114.554 0.125 0.000 3.732 398 T HA 0.325 4.663 4.350 -0.019 0.000 0.234 398 T C -2.861 171.877 174.700 0.063 0.000 1.146 398 T CA -1.922 60.235 62.100 0.095 0.000 1.454 398 T CB 0.299 69.224 68.868 0.096 0.000 0.910 398 T HN 0.130 nan 8.240 nan 0.000 0.640 399 P HA 0.343 nan 4.420 nan 0.000 0.274 399 P C -2.757 174.546 177.300 0.006 0.000 1.256 399 P CA -1.549 61.572 63.100 0.035 0.000 0.795 399 P CB -0.374 31.350 31.700 0.040 0.000 1.038 400 P HA 0.034 nan 4.420 nan 0.000 0.264 400 P C 1.067 178.350 177.300 -0.028 0.000 1.183 400 P CA 0.535 63.599 63.100 -0.061 0.000 0.763 400 P CB 0.027 31.661 31.700 -0.109 0.000 0.807 401 L N 1.759 122.965 121.223 -0.028 0.000 2.362 401 L HA -0.125 4.204 4.340 -0.019 0.000 0.219 401 L C 1.967 178.831 176.870 -0.010 0.000 1.134 401 L CA 1.300 56.130 54.840 -0.016 0.000 0.807 401 L CB -0.934 41.113 42.059 -0.020 0.000 0.927 401 L HN 0.415 nan 8.230 nan 0.000 0.447 402 T N -0.121 114.427 114.554 -0.009 0.000 3.055 402 T HA 0.058 4.397 4.350 -0.019 0.000 0.265 402 T C 1.004 175.714 174.700 0.017 0.000 1.111 402 T CA -0.073 62.039 62.100 0.020 0.000 1.118 402 T CB -0.187 68.710 68.868 0.047 0.000 0.909 402 T HN 0.104 nan 8.240 nan 0.000 0.501 403 I N 3.323 123.895 120.570 0.003 0.000 2.996 403 I HA -0.076 4.082 4.170 -0.019 0.000 0.311 403 I C 0.904 177.023 176.117 0.004 0.000 1.219 403 I CA 0.295 61.599 61.300 0.005 0.000 1.452 403 I CB 0.633 38.632 38.000 -0.001 0.000 1.319 403 I HN 0.202 nan 8.210 nan 0.000 0.564 404 T N 2.360 116.919 114.554 0.009 0.000 2.909 404 T HA 0.181 4.519 4.350 -0.019 0.000 0.289 404 T C 0.916 175.618 174.700 0.003 0.000 1.005 404 T CA -0.248 61.859 62.100 0.012 0.000 1.084 404 T CB 1.519 70.400 68.868 0.021 0.000 0.975 404 T HN 0.821 nan 8.240 nan 0.000 0.509 405 E N 1.649 121.856 120.200 0.012 0.000 2.130 405 E HA -0.205 4.133 4.350 -0.019 0.000 0.196 405 E C 1.788 178.440 176.600 0.087 0.000 0.998 405 E CA 1.910 58.321 56.400 0.018 0.000 0.806 405 E CB -0.479 29.259 29.700 0.064 0.000 0.738 405 E HN 0.838 nan 8.360 nan 0.000 0.459 406 T N 0.898 115.513 114.554 0.101 0.000 2.684 406 T HA -0.166 4.173 4.350 -0.019 0.000 0.267 406 T C 1.233 175.978 174.700 0.075 0.000 1.036 406 T CA 1.481 63.647 62.100 0.110 0.000 1.148 406 T CB -0.362 68.542 68.868 0.060 0.000 0.863 406 T HN 0.245 nan 8.240 nan 0.000 0.436 407 D N 0.729 121.149 120.400 0.032 0.000 2.117 407 D HA -0.016 4.613 4.640 -0.019 0.000 0.197 407 D C 2.076 178.369 176.300 -0.012 0.000 0.987 407 D CA 0.735 54.743 54.000 0.014 0.000 0.829 407 D CB -0.347 40.460 40.800 0.011 0.000 0.961 407 D HN 0.388 nan 8.370 nan 0.000 0.460 408 I N 0.781 121.314 120.570 -0.062 0.000 2.127 408 I HA -0.280 3.878 4.170 -0.019 0.000 0.241 408 I C 2.419 178.444 176.117 -0.152 0.000 1.075 408 I CA 1.131 62.343 61.300 -0.147 0.000 1.334 408 I CB -0.358 37.490 38.000 -0.254 0.000 1.040 408 I HN 0.117 nan 8.210 nan 0.000 0.405 409 H N 1.110 120.168 119.070 -0.021 0.000 2.387 409 H HA -0.139 4.405 4.556 -0.019 0.000 0.299 409 H C 2.281 177.601 175.328 -0.013 0.000 1.099 409 H CA 1.369 57.406 56.048 -0.019 0.000 1.315 409 H CB -0.206 29.547 29.762 -0.015 0.000 1.380 409 H HN 0.334 nan 8.280 nan 0.000 0.513 410 K N 0.370 120.830 120.400 0.099 0.000 2.026 410 K HA -0.066 4.242 4.320 -0.019 0.000 0.208 410 K C 2.421 179.035 176.600 0.023 0.000 1.048 410 K CA 1.045 57.361 56.287 0.048 0.000 0.929 410 K CB -0.020 32.497 32.500 0.029 0.000 0.713 410 K HN 0.161 nan 8.250 nan 0.000 0.439 411 A N 1.124 123.948 122.820 0.007 0.000 1.933 411 A HA -0.131 4.177 4.320 -0.019 0.000 0.218 411 A C 2.062 179.652 177.584 0.009 0.000 1.175 411 A CA 1.206 53.243 52.037 -0.000 0.000 0.628 411 A CB -0.573 18.426 19.000 -0.002 0.000 0.814 411 A HN 0.178 nan 8.150 nan 0.000 0.444 412 L N -0.601 120.623 121.223 0.001 0.000 2.046 412 L HA -0.208 4.121 4.340 -0.019 0.000 0.208 412 L C 2.450 179.352 176.870 0.053 0.000 1.077 412 L CA 1.782 56.632 54.840 0.017 0.000 0.747 412 L CB -0.548 41.516 42.059 0.009 0.000 0.896 412 L HN 0.450 nan 8.230 nan 0.000 0.432 413 D N 0.266 120.696 120.400 0.051 0.000 2.117 413 D HA -0.177 4.452 4.640 -0.019 0.000 0.197 413 D C 2.260 178.582 176.300 0.038 0.000 0.987 413 D CA 1.310 55.340 54.000 0.050 0.000 0.829 413 D CB -0.024 40.799 40.800 0.038 0.000 0.961 413 D HN 0.198 nan 8.370 nan 0.000 0.460 414 L N 0.083 121.315 121.223 0.014 0.000 2.083 414 L HA -0.101 4.227 4.340 -0.019 0.000 0.209 414 L C 2.646 179.505 176.870 -0.019 0.000 1.083 414 L CA 0.475 55.306 54.840 -0.015 0.000 0.752 414 L CB -0.397 41.636 42.059 -0.042 0.000 0.899 414 L HN 0.235 nan 8.230 nan 0.000 0.433 415 L N -0.014 121.217 121.223 0.013 0.000 2.056 415 L HA -0.228 4.100 4.340 -0.019 0.000 0.207 415 L C 2.281 179.215 176.870 0.106 0.000 1.078 415 L CA 1.816 56.668 54.840 0.021 0.000 0.749 415 L CB -0.435 41.688 42.059 0.107 0.000 0.901 415 L HN 0.348 nan 8.230 nan 0.000 0.433 416 D N 0.176 120.673 120.400 0.162 0.000 2.106 416 D HA -0.293 4.335 4.640 -0.019 0.000 0.191 416 D C 2.210 178.603 176.300 0.156 0.000 0.997 416 D CA 1.611 55.740 54.000 0.214 0.000 0.834 416 D CB 0.022 40.935 40.800 0.188 0.000 0.956 416 D HN 0.088 nan 8.370 nan 0.000 0.448 417 R N 0.049 120.600 120.500 0.085 0.000 2.103 417 R HA -0.114 4.214 4.340 -0.019 0.000 0.242 417 R C 2.218 178.521 176.300 0.005 0.000 1.142 417 R CA 1.844 57.971 56.100 0.045 0.000 0.960 417 R CB -0.604 29.702 30.300 0.009 0.000 0.858 417 R HN 0.192 nan 8.270 nan 0.000 0.439 418 A N -0.240 122.544 122.820 -0.060 0.000 1.883 418 A HA -0.159 4.149 4.320 -0.019 0.000 0.217 418 A C 2.123 179.605 177.584 -0.171 0.000 1.186 418 A CA 1.557 53.503 52.037 -0.152 0.000 0.624 418 A CB -0.881 17.965 19.000 -0.257 0.000 0.822 418 A HN 0.436 nan 8.150 nan 0.000 0.444 419 F N 0.682 120.521 119.950 -0.184 0.000 2.126 419 F HA -0.168 4.348 4.527 -0.018 0.000 0.299 419 F C 2.707 178.437 175.800 -0.117 0.000 1.096 419 F CA 1.592 59.425 58.000 -0.279 0.000 1.255 419 F CB -0.144 38.349 39.000 -0.845 0.000 0.997 419 F HN 0.132 nan 8.300 nan 0.000 0.479 420 S N -0.930 114.868 115.700 0.163 0.000 2.507 420 S HA -0.112 4.346 4.470 -0.019 0.000 0.235 420 S C 1.086 175.744 174.600 0.096 0.000 0.988 420 S CA 0.899 59.210 58.200 0.185 0.000 0.944 420 S CB -0.298 63.011 63.200 0.183 0.000 0.762 420 S HN 0.443 nan 8.310 nan 0.000 0.526 421 E N 0.073 120.302 120.200 0.049 0.000 2.758 421 E HA 0.278 4.616 4.350 -0.019 0.000 0.215 421 E C 0.926 177.526 176.600 0.001 0.000 0.985 421 E CA -0.151 56.260 56.400 0.018 0.000 1.102 421 E CB 0.258 29.958 29.700 0.000 0.000 1.042 421 E HN 0.294 nan 8.360 nan 0.000 0.480 422 L N 0.889 122.117 121.223 0.007 0.000 2.081 422 L HA -0.235 4.094 4.340 -0.019 0.000 0.212 422 L C 2.295 179.163 176.870 -0.004 0.000 1.080 422 L CA 1.753 56.590 54.840 -0.006 0.000 0.754 422 L CB -0.718 41.350 42.059 0.016 0.000 0.893 422 L HN 0.260 nan 8.230 nan 0.000 0.433 423 S N 0.179 115.885 115.700 0.010 0.000 2.419 423 S HA -0.154 4.305 4.470 -0.019 0.000 0.235 423 S C 1.997 176.592 174.600 -0.009 0.000 1.019 423 S CA 0.914 59.116 58.200 0.005 0.000 0.982 423 S CB -0.474 62.735 63.200 0.015 0.000 0.789 423 S HN 0.434 nan 8.310 nan 0.000 0.490 424 A N 0.741 123.554 122.820 -0.012 0.000 2.239 424 A HA 0.386 4.695 4.320 -0.019 0.000 0.209 424 A C 0.672 178.231 177.584 -0.042 0.000 1.171 424 A CA 0.246 52.271 52.037 -0.020 0.000 0.768 424 A CB -0.253 18.739 19.000 -0.014 0.000 0.790 424 A HN 0.360 nan 8.150 nan 0.000 0.478 425 V N 1.440 121.318 119.914 -0.060 0.000 2.409 425 V HA 0.367 4.475 4.120 -0.019 0.000 0.291 425 V C 0.312 176.342 176.094 -0.107 0.000 1.020 425 V CA -0.364 61.862 62.300 -0.123 0.000 0.848 425 V CB 1.504 33.235 31.823 -0.153 0.000 0.990 425 V HN 0.466 nan 8.190 nan 0.000 0.430 426 S N 2.983 118.611 115.700 -0.119 0.000 2.652 426 S HA 0.279 4.737 4.470 -0.019 0.000 0.270 426 S C 0.667 175.224 174.600 -0.072 0.000 1.243 426 S CA -0.634 57.522 58.200 -0.073 0.000 0.999 426 S CB 0.758 63.928 63.200 -0.050 0.000 0.973 426 S HN 0.678 nan 8.310 nan 0.000 0.544 427 N N 0.845 119.528 118.700 -0.027 0.000 2.550 427 N HA -0.014 4.715 4.740 -0.019 0.000 0.186 427 N C 1.438 176.957 175.510 0.016 0.000 1.110 427 N CA 0.837 53.887 53.050 0.001 0.000 0.912 427 N CB -0.175 38.321 38.487 0.015 0.000 0.968 427 N HN 0.917 nan 8.380 nan 0.000 0.448 428 E N 0.768 120.969 120.200 0.002 0.000 2.250 428 E HA -0.012 4.327 4.350 -0.019 0.000 0.192 428 E C 1.219 177.839 176.600 0.034 0.000 0.986 428 E CA 0.591 57.002 56.400 0.019 0.000 0.849 428 E CB -0.115 29.591 29.700 0.011 0.000 0.797 428 E HN 0.334 nan 8.360 nan 0.000 0.482 429 E N 0.450 120.642 120.200 -0.014 0.000 2.107 429 E HA -0.111 4.228 4.350 -0.019 0.000 0.191 429 E C 1.794 178.474 176.600 0.134 0.000 0.982 429 E CA 0.733 57.125 56.400 -0.012 0.000 0.809 429 E CB -0.026 29.486 29.700 -0.313 0.000 0.756 429 E HN 0.236 nan 8.360 nan 0.000 0.459 430 I N 1.284 121.892 120.570 0.064 0.000 2.252 430 I HA -0.202 3.956 4.170 -0.019 0.000 0.245 430 I C 2.264 178.544 176.117 0.270 0.000 1.102 430 I CA 1.063 62.501 61.300 0.229 0.000 1.385 430 I CB -0.381 37.709 38.000 0.149 0.000 1.064 430 I HN 0.002 nan 8.210 nan 0.000 0.414 431 A N -0.621 122.295 122.820 0.160 0.000 2.125 431 A HA -0.174 4.134 4.320 -0.019 0.000 0.219 431 A C 2.064 179.697 177.584 0.082 0.000 1.156 431 A CA 1.031 53.137 52.037 0.114 0.000 0.671 431 A CB -0.413 18.626 19.000 0.065 0.000 0.794 431 A HN 0.434 nan 8.150 nan 0.000 0.459 432 Q N -1.278 118.576 119.800 0.090 0.000 2.378 432 Q HA 0.061 4.390 4.340 -0.019 0.000 0.205 432 Q C -0.692 175.078 176.000 -0.384 0.000 0.954 432 Q CA 0.598 56.320 55.803 -0.136 0.000 0.901 432 Q CB -0.063 28.564 28.738 -0.185 0.000 0.981 432 Q HN 0.676 nan 8.270 nan 0.000 0.483 433 F N -0.643 119.360 119.950 0.088 0.000 2.427 433 F HA 0.416 4.937 4.527 -0.010 0.000 0.348 433 F C 0.929 176.720 175.800 -0.015 0.000 1.125 433 F CA -0.661 57.356 58.000 0.029 0.000 0.989 433 F CB 1.330 40.356 39.000 0.043 0.000 1.165 433 F HN -0.164 nan 8.300 nan 0.000 0.442 434 A N 2.955 125.792 122.820 0.029 0.000 2.015 434 A HA 0.326 4.635 4.320 -0.019 0.000 0.219 434 A C 1.919 179.462 177.584 -0.068 0.000 1.163 434 A CA 1.286 53.312 52.037 -0.018 0.000 0.646 434 A CB -1.138 17.826 19.000 -0.060 0.000 0.806 434 A HN 1.241 nan 8.150 nan 0.000 0.448 435 G N -1.487 107.138 108.800 -0.292 0.000 2.591 435 G HA2 -0.342 3.607 3.960 -0.019 0.000 0.298 435 G HA3 -0.342 3.607 3.960 -0.019 0.000 0.298 435 G C 0.211 174.810 174.900 -0.502 0.000 1.195 435 G CA 0.385 45.078 45.100 -0.678 0.000 0.989 435 G HN 0.674 nan 8.290 nan 0.000 0.551 436 W N 0.000 121.239 121.300 -0.102 0.000 2.388 436 W HA 0.000 4.650 4.660 -0.017 0.000 0.303 436 W CA 0.000 57.320 57.345 -0.041 0.000 1.226 436 W CB 0.000 29.506 29.460 0.077 0.000 1.126 436 W HN 0.000 nan 8.180 nan 0.000 0.535