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 2h7x_1_A DATA FIRST_RESID 9 DATA SEQUENCE AGMFRALFRQ AVEDDRYGEF LDVLAEASAF RPQFASPEAC SERLDPVLLA DATA SEQUENCE GGPTDXXEGR AVLVGCTGTA ANGGPHEFLR LSTSFQEERD FLAVPLPGYG DATA SEQUENCE TGXXXGTALL PADLDTALDA QARAILRAAG DAPVVLLGHS GGALLAHELA DATA SEQUENCE FRLERAHGAP PAGIVLVDPY PPGHQEPIEV WSRQLGEGLF AGELEPMSDA DATA SEQUENCE RLLAMGRYAR FLAGPRPGRS SAPVLLVRAS EPLGDWQEER GDWRAHWDLP DATA SEQUENCE HTVADVPGDH FTMMRDHAPA VAEAVLSWLD AIEG 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.647 177.584 0.105 0.000 1.274 9 A CA 0.000 52.088 52.037 0.085 0.000 0.836 9 A CB 0.000 19.040 19.000 0.067 0.000 0.831 10 G N 0.981 109.846 108.800 0.107 0.000 2.379 10 G HA2 0.442 4.401 3.960 -0.001 0.000 0.609 10 G HA3 0.442 4.401 3.960 -0.001 0.000 0.609 10 G C 0.195 175.176 174.900 0.135 0.000 1.484 10 G CA 0.188 45.366 45.100 0.131 0.000 0.921 10 G HN 1.732 nan 8.290 nan 0.000 0.658 11 M N 1.400 121.053 119.600 0.090 0.000 2.117 11 M HA 0.183 4.662 4.480 -0.001 0.000 0.262 11 M C 2.109 178.437 176.300 0.047 0.000 1.065 11 M CA 2.032 57.335 55.300 0.006 0.000 1.114 11 M CB -0.776 31.755 32.600 -0.115 0.000 1.361 11 M HN 0.560 nan 8.290 nan 0.000 0.408 12 F N -0.475 119.578 119.950 0.172 0.000 2.161 12 F HA -0.185 4.342 4.527 -0.001 0.000 0.300 12 F C 2.664 178.650 175.800 0.310 0.000 1.089 12 F CA 1.837 60.006 58.000 0.282 0.000 1.282 12 F CB -0.531 38.609 39.000 0.233 0.000 1.010 12 F HN 0.176 nan 8.300 nan 0.000 0.485 13 R N 0.448 121.199 120.500 0.419 0.000 2.092 13 R HA -0.127 4.212 4.340 -0.001 0.000 0.231 13 R C 2.330 178.828 176.300 0.329 0.000 1.119 13 R CA 1.157 57.505 56.100 0.413 0.000 0.970 13 R CB -0.423 30.071 30.300 0.323 0.000 0.864 13 R HN 0.264 nan 8.270 nan 0.000 0.440 14 A N 1.187 124.118 122.820 0.186 0.000 1.877 14 A HA -0.130 4.190 4.320 -0.001 0.000 0.216 14 A C 2.188 179.777 177.584 0.009 0.000 1.186 14 A CA 1.153 53.233 52.037 0.073 0.000 0.620 14 A CB -0.559 18.463 19.000 0.037 0.000 0.822 14 A HN 0.324 nan 8.150 nan 0.000 0.443 15 L N -1.932 119.297 121.223 0.010 0.000 2.042 15 L HA -0.183 4.156 4.340 -0.001 0.000 0.210 15 L C 2.530 179.157 176.870 -0.405 0.000 1.076 15 L CA 1.825 56.600 54.840 -0.109 0.000 0.749 15 L CB -0.587 41.505 42.059 0.054 0.000 0.893 15 L HN 0.575 nan 8.230 nan 0.000 0.432 16 F N 0.520 120.069 119.950 -0.669 0.000 2.102 16 F HA -0.268 4.258 4.527 -0.001 0.000 0.298 16 F C 2.919 178.626 175.800 -0.155 0.000 1.105 16 F CA 1.205 58.792 58.000 -0.688 0.000 1.239 16 F CB -0.020 38.962 39.000 -0.031 0.000 0.991 16 F HN -0.096 nan 8.300 nan 0.000 0.474 17 R N 0.080 120.494 120.500 -0.143 0.000 2.083 17 R HA -0.261 4.078 4.340 -0.001 0.000 0.237 17 R C 2.294 178.361 176.300 -0.389 0.000 1.137 17 R CA 2.072 57.845 56.100 -0.545 0.000 0.951 17 R CB -0.431 29.597 30.300 -0.454 0.000 0.851 17 R HN 0.301 nan 8.270 nan 0.000 0.434 18 Q N 0.004 119.662 119.800 -0.237 0.000 2.079 18 Q HA -0.068 4.272 4.340 -0.001 0.000 0.200 18 Q C 1.794 177.717 176.000 -0.128 0.000 0.974 18 Q CA 2.075 57.780 55.803 -0.163 0.000 0.840 18 Q CB -0.272 28.402 28.738 -0.106 0.000 0.898 18 Q HN 0.404 nan 8.270 nan 0.000 0.430 19 A N -0.675 122.068 122.820 -0.129 0.000 1.908 19 A HA -0.150 4.170 4.320 -0.001 0.000 0.218 19 A C 2.268 179.863 177.584 0.019 0.000 1.181 19 A CA 1.741 53.777 52.037 -0.003 0.000 0.627 19 A CB -0.850 18.193 19.000 0.072 0.000 0.818 19 A HN 0.274 nan 8.150 nan 0.000 0.445 20 V N -0.307 119.546 119.914 -0.103 0.000 2.307 20 V HA -0.248 3.871 4.120 -0.001 0.000 0.245 20 V C 2.469 178.483 176.094 -0.132 0.000 1.045 20 V CA 2.196 64.411 62.300 -0.142 0.000 1.024 20 V CB -0.728 30.875 31.823 -0.365 0.000 0.651 20 V HN 0.729 nan 8.190 nan 0.000 0.449 21 E N -0.066 120.022 120.200 -0.187 0.000 2.130 21 E HA -0.277 4.072 4.350 -0.001 0.000 0.196 21 E C 1.305 177.860 176.600 -0.075 0.000 0.998 21 E CA 1.611 57.924 56.400 -0.145 0.000 0.806 21 E CB -0.023 29.577 29.700 -0.167 0.000 0.738 21 E HN 0.589 nan 8.360 nan 0.000 0.459 22 D N 0.107 120.479 120.400 -0.046 0.000 2.328 22 D HA -0.019 4.620 4.640 -0.001 0.000 0.221 22 D C -0.221 176.094 176.300 0.025 0.000 1.072 22 D CA 0.342 54.337 54.000 -0.008 0.000 0.850 22 D CB 0.079 40.881 40.800 0.004 0.000 0.922 22 D HN 0.143 nan 8.370 nan 0.000 0.516 23 D N 0.761 121.181 120.400 0.034 0.000 2.699 23 D HA -0.217 4.422 4.640 -0.001 0.000 0.239 23 D C -0.164 176.207 176.300 0.118 0.000 1.136 23 D CA 0.501 54.546 54.000 0.075 0.000 0.668 23 D CB -0.863 39.972 40.800 0.058 0.000 1.060 23 D HN 0.218 nan 8.370 nan 0.000 0.429 24 R N 0.120 120.714 120.500 0.157 0.000 2.698 24 R HA 0.140 4.479 4.340 -0.001 0.000 0.422 24 R C 1.089 177.578 176.300 0.314 0.000 1.073 24 R CA -0.380 55.836 56.100 0.193 0.000 1.054 24 R CB -0.033 30.360 30.300 0.155 0.000 1.373 24 R HN 0.402 nan 8.270 nan 0.000 0.593 25 Y N 0.357 120.781 120.300 0.207 0.000 2.128 25 Y HA -0.206 4.344 4.550 -0.001 0.000 0.284 25 Y C 2.174 178.262 175.900 0.313 0.000 1.154 25 Y CA 1.722 60.014 58.100 0.321 0.000 1.149 25 Y CB 0.094 38.724 38.460 0.283 0.000 0.976 25 Y HN 0.268 nan 8.280 nan 0.000 0.505 26 G N -0.308 108.550 108.800 0.096 0.000 2.446 26 G HA2 -0.308 3.651 3.960 -0.001 0.000 0.217 26 G HA3 -0.308 3.651 3.960 -0.001 0.000 0.217 26 G C 1.427 176.330 174.900 0.006 0.000 1.168 26 G CA 1.061 46.136 45.100 -0.042 0.000 0.771 26 G HN 0.506 nan 8.290 nan 0.000 0.551 27 E N -0.720 119.537 120.200 0.096 0.000 2.077 27 E HA -0.114 4.235 4.350 -0.001 0.000 0.193 27 E C 2.058 178.740 176.600 0.136 0.000 0.989 27 E CA 0.651 57.113 56.400 0.103 0.000 0.800 27 E CB -0.205 29.575 29.700 0.132 0.000 0.746 27 E HN 0.427 nan 8.360 nan 0.000 0.452 28 F N 0.802 120.809 119.950 0.096 0.000 2.186 28 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 28 F C 1.919 177.745 175.800 0.043 0.000 1.090 28 F CA 0.759 58.841 58.000 0.137 0.000 1.307 28 F CB -0.044 39.138 39.000 0.303 0.000 1.019 28 F HN 0.048 nan 8.300 nan 0.000 0.489 29 L N 0.323 121.481 121.223 -0.108 0.000 2.079 29 L HA -0.239 4.100 4.340 -0.001 0.000 0.210 29 L C 1.957 178.676 176.870 -0.252 0.000 1.081 29 L CA 1.846 56.527 54.840 -0.265 0.000 0.752 29 L CB -1.375 40.510 42.059 -0.291 0.000 0.896 29 L HN 0.154 nan 8.230 nan 0.000 0.433 30 D N -0.772 119.528 120.400 -0.166 0.000 2.117 30 D HA -0.144 4.495 4.640 -0.001 0.000 0.197 30 D C 2.337 178.547 176.300 -0.150 0.000 0.987 30 D CA 0.951 54.875 54.000 -0.127 0.000 0.829 30 D CB -0.035 40.728 40.800 -0.062 0.000 0.961 30 D HN 0.138 nan 8.370 nan 0.000 0.460 31 V N 1.138 120.941 119.914 -0.186 0.000 2.295 31 V HA -0.221 3.898 4.120 -0.001 0.000 0.246 31 V C 2.699 178.657 176.094 -0.227 0.000 1.049 31 V CA 1.125 63.323 62.300 -0.170 0.000 1.024 31 V CB -0.479 31.248 31.823 -0.161 0.000 0.648 31 V HN 0.208 nan 8.190 nan 0.000 0.447 32 L N -0.060 120.892 121.223 -0.451 0.000 2.042 32 L HA -0.219 4.120 4.340 -0.001 0.000 0.210 32 L C 2.742 179.427 176.870 -0.309 0.000 1.076 32 L CA 1.732 56.310 54.840 -0.435 0.000 0.749 32 L CB -0.791 40.948 42.059 -0.533 0.000 0.893 32 L HN 0.390 nan 8.230 nan 0.000 0.432 33 A N -0.396 122.264 122.820 -0.267 0.000 1.877 33 A HA -0.200 4.119 4.320 -0.001 0.000 0.216 33 A C 2.181 179.652 177.584 -0.189 0.000 1.186 33 A CA 1.550 53.444 52.037 -0.239 0.000 0.620 33 A CB -0.376 18.501 19.000 -0.204 0.000 0.822 33 A HN 0.370 nan 8.150 nan 0.000 0.443 34 E N 0.021 120.150 120.200 -0.119 0.000 2.051 34 E HA -0.148 4.201 4.350 -0.001 0.000 0.192 34 E C 2.334 178.956 176.600 0.038 0.000 0.991 34 E CA 1.329 57.705 56.400 -0.040 0.000 0.799 34 E CB -0.739 28.973 29.700 0.020 0.000 0.748 34 E HN 0.580 nan 8.360 nan 0.000 0.449 35 A N 1.642 124.497 122.820 0.059 0.000 1.972 35 A HA -0.173 4.146 4.320 -0.001 0.000 0.219 35 A C 2.399 180.036 177.584 0.089 0.000 1.169 35 A CA 2.076 54.224 52.037 0.186 0.000 0.635 35 A CB -0.617 18.479 19.000 0.159 0.000 0.810 35 A HN 0.335 nan 8.150 nan 0.000 0.446 36 S N 0.210 115.834 115.700 -0.127 0.000 2.442 36 S HA 0.041 4.510 4.470 -0.001 0.000 0.236 36 S C 1.919 176.388 174.600 -0.217 0.000 1.007 36 S CA 1.171 59.249 58.200 -0.203 0.000 0.965 36 S CB -0.616 62.407 63.200 -0.296 0.000 0.773 36 S HN 0.956 nan 8.310 nan 0.000 0.504 37 A N 0.371 123.005 122.820 -0.310 0.000 2.131 37 A HA 0.140 4.459 4.320 -0.001 0.000 0.220 37 A C 1.300 178.489 177.584 -0.659 0.000 1.158 37 A CA 0.941 52.660 52.037 -0.530 0.000 0.665 37 A CB -0.828 17.745 19.000 -0.711 0.000 0.795 37 A HN 0.646 nan 8.150 nan 0.000 0.460 38 F N -0.658 119.257 119.950 -0.059 0.000 2.639 38 F HA 0.282 4.808 4.527 -0.001 0.000 0.302 38 F C 0.923 176.704 175.800 -0.033 0.000 1.097 38 F CA -0.447 57.534 58.000 -0.032 0.000 1.294 38 F CB 0.281 39.274 39.000 -0.012 0.000 1.027 38 F HN -0.093 nan 8.300 nan 0.000 0.550 39 R N 1.307 121.827 120.500 0.034 0.000 2.410 39 R HA 0.332 4.671 4.340 -0.001 0.000 0.288 39 R C -2.414 173.887 176.300 0.002 0.000 1.051 39 R CA -2.042 54.063 56.100 0.009 0.000 1.021 39 R CB -0.026 30.243 30.300 -0.051 0.000 1.032 39 R HN -0.077 nan 8.270 nan 0.000 0.481 40 P HA 0.002 nan 4.420 nan 0.000 0.265 40 P C -0.598 176.725 177.300 0.038 0.000 1.187 40 P CA 0.331 63.452 63.100 0.035 0.000 0.766 40 P CB 0.548 32.277 31.700 0.048 0.000 0.820 41 Q N 1.175 120.997 119.800 0.037 0.000 2.416 41 Q HA 0.625 4.964 4.340 -0.001 0.000 0.279 41 Q C -0.785 175.291 176.000 0.127 0.000 1.101 41 Q CA -0.860 54.961 55.803 0.030 0.000 0.830 41 Q CB 1.710 30.409 28.738 -0.066 0.000 1.402 41 Q HN 0.466 nan 8.270 nan 0.000 0.445 42 F N -1.395 118.562 119.950 0.012 0.000 2.458 42 F HA 0.783 5.309 4.527 -0.001 0.000 0.336 42 F C 0.157 175.965 175.800 0.012 0.000 1.114 42 F CA -0.824 57.186 58.000 0.017 0.000 0.987 42 F CB 1.129 40.145 39.000 0.027 0.000 1.130 42 F HN 0.532 nan 8.300 nan 0.000 0.458 43 A N 2.332 125.187 122.820 0.059 0.000 2.252 43 A HA 0.401 4.720 4.320 -0.001 0.000 0.213 43 A C 0.475 178.075 177.584 0.026 0.000 1.188 43 A CA 0.589 52.608 52.037 -0.031 0.000 0.863 43 A CB -0.519 18.474 19.000 -0.012 0.000 0.893 43 A HN 0.842 nan 8.150 nan 0.000 0.495 44 S N -1.927 113.860 115.700 0.146 0.000 2.549 44 S HA 0.579 5.048 4.470 -0.001 0.000 0.280 44 S C -2.557 172.204 174.600 0.268 0.000 1.109 44 S CA -1.243 57.045 58.200 0.147 0.000 0.905 44 S CB 1.948 65.205 63.200 0.094 0.000 1.081 44 S HN -0.105 nan 8.310 nan 0.000 0.477 45 P HA -0.128 nan 4.420 nan 0.000 0.216 45 P C 0.861 178.229 177.300 0.112 0.000 1.150 45 P CA 1.436 64.668 63.100 0.219 0.000 0.843 45 P CB 0.005 31.796 31.700 0.152 0.000 0.787 46 E N -0.231 120.019 120.200 0.085 0.000 2.153 46 E HA -0.099 4.250 4.350 -0.001 0.000 0.194 46 E C 1.955 178.563 176.600 0.014 0.000 0.988 46 E CA 1.402 57.824 56.400 0.036 0.000 0.811 46 E CB -1.043 28.679 29.700 0.038 0.000 0.746 46 E HN 0.202 nan 8.360 nan 0.000 0.466 47 A N 0.252 123.112 122.820 0.066 0.000 2.238 47 A HA 0.029 4.348 4.320 -0.001 0.000 0.208 47 A C 0.835 178.375 177.584 -0.073 0.000 1.177 47 A CA -0.233 51.840 52.037 0.060 0.000 0.804 47 A CB -0.634 18.455 19.000 0.149 0.000 0.823 47 A HN 0.372 nan 8.150 nan 0.000 0.482 48 C N 1.715 120.804 119.300 -0.352 0.000 2.596 48 C HA 0.245 4.704 4.460 -0.001 0.000 0.414 48 C C 2.185 176.920 174.990 -0.426 0.000 1.396 48 C CA 0.479 58.935 59.018 -0.938 0.000 1.698 48 C CB -0.558 26.648 27.740 -0.889 0.000 2.572 48 C HN 0.686 nan 8.230 nan 0.000 0.604 49 S N 2.755 118.239 115.700 -0.360 0.000 2.562 49 S HA 0.095 4.564 4.470 -0.001 0.000 0.221 49 S C 0.183 174.719 174.600 -0.107 0.000 0.975 49 S CA 0.183 58.296 58.200 -0.145 0.000 0.918 49 S CB -0.166 62.998 63.200 -0.060 0.000 0.772 49 S HN 0.909 nan 8.310 nan 0.000 0.531 50 E N 0.978 121.093 120.200 -0.142 0.000 2.221 50 E HA 0.478 4.827 4.350 -0.001 0.000 0.268 50 E C -0.679 175.882 176.600 -0.065 0.000 0.933 50 E CA -1.068 55.290 56.400 -0.070 0.000 0.809 50 E CB 0.856 30.537 29.700 -0.032 0.000 1.190 50 E HN 0.002 nan 8.360 nan 0.000 0.406 51 R N 2.065 122.547 120.500 -0.031 0.000 2.242 51 R HA 0.173 4.512 4.340 -0.001 0.000 0.334 51 R C 0.109 176.402 176.300 -0.011 0.000 1.071 51 R CA -0.012 56.075 56.100 -0.022 0.000 0.922 51 R CB 0.065 30.359 30.300 -0.010 0.000 1.023 51 R HN 0.592 nan 8.270 nan 0.000 0.458 52 L N 2.108 123.321 121.223 -0.017 0.000 2.728 52 L HA 0.104 4.443 4.340 -0.001 0.000 0.235 52 L C -0.038 176.829 176.870 -0.005 0.000 1.197 52 L CA -0.160 54.678 54.840 -0.003 0.000 0.992 52 L CB -0.020 42.037 42.059 -0.004 0.000 1.263 52 L HN 0.331 nan 8.230 nan 0.000 0.484 53 D N 2.701 123.097 120.400 -0.006 0.000 2.502 53 D HA 0.047 4.686 4.640 -0.001 0.000 0.249 53 D C -1.997 174.303 176.300 -0.001 0.000 1.188 53 D CA -0.486 53.509 54.000 -0.007 0.000 0.890 53 D CB 0.464 41.262 40.800 -0.004 0.000 1.140 53 D HN 0.052 nan 8.370 nan 0.000 0.505 54 P HA 0.020 nan 4.420 nan 0.000 0.269 54 P C -0.266 177.039 177.300 0.007 0.000 1.209 54 P CA -0.339 62.756 63.100 -0.009 0.000 0.776 54 P CB 0.728 32.401 31.700 -0.044 0.000 0.876 55 V N 3.899 123.833 119.914 0.033 0.000 2.427 55 V HA 0.160 4.279 4.120 -0.001 0.000 0.286 55 V C 0.308 176.438 176.094 0.061 0.000 1.034 55 V CA -0.668 61.660 62.300 0.047 0.000 0.893 55 V CB 1.274 33.135 31.823 0.064 0.000 0.982 55 V HN 0.382 nan 8.190 nan 0.000 0.452 56 L N 5.861 127.112 121.223 0.047 0.000 2.385 56 L HA 0.306 4.645 4.340 -0.001 0.000 0.281 56 L C 0.595 177.518 176.870 0.089 0.000 1.106 56 L CA 0.798 55.675 54.840 0.061 0.000 0.856 56 L CB 0.231 42.309 42.059 0.033 0.000 1.186 56 L HN 0.615 nan 8.230 nan 0.000 0.453 57 L N 4.878 126.193 121.223 0.154 0.000 2.556 57 L HA 0.505 4.844 4.340 -0.001 0.000 0.226 57 L C 0.549 177.475 176.870 0.093 0.000 1.089 57 L CA 0.262 55.177 54.840 0.125 0.000 0.864 57 L CB 0.013 42.165 42.059 0.155 0.000 1.067 57 L HN 0.756 nan 8.230 nan 0.000 0.477 58 A N -0.540 122.363 122.820 0.139 0.000 2.606 58 A HA 0.738 5.057 4.320 -0.001 0.000 0.293 58 A C -0.753 176.896 177.584 0.109 0.000 1.082 58 A CA -0.136 51.972 52.037 0.118 0.000 0.685 58 A CB 1.310 20.407 19.000 0.162 0.000 1.284 58 A HN 0.016 nan 8.150 nan 0.000 0.408 59 G N -0.140 108.708 108.800 0.080 0.000 2.513 59 G HA2 0.625 4.584 3.960 -0.001 0.000 0.317 59 G HA3 0.625 4.584 3.960 -0.001 0.000 0.317 59 G C 0.144 175.080 174.900 0.060 0.000 1.277 59 G CA 0.114 45.248 45.100 0.057 0.000 0.955 59 G HN 1.238 nan 8.290 nan 0.000 0.484 60 G N 0.816 109.644 108.800 0.046 0.000 2.588 60 G HA2 0.587 4.546 3.960 -0.001 0.000 0.281 60 G HA3 0.587 4.546 3.960 -0.001 0.000 0.281 60 G C -2.485 172.432 174.900 0.028 0.000 1.236 60 G CA -1.109 44.017 45.100 0.043 0.000 0.969 60 G HN 0.507 nan 8.290 nan 0.000 0.504 61 P HA 0.105 nan 4.420 nan 0.000 0.268 61 P C 1.265 178.570 177.300 0.008 0.000 1.204 61 P CA 0.058 63.167 63.100 0.016 0.000 0.768 61 P CB 0.791 32.500 31.700 0.014 0.000 0.842 62 T N -0.836 113.722 114.554 0.006 0.000 2.803 62 T HA -0.151 4.198 4.350 -0.001 0.000 0.269 62 T C 0.549 175.249 174.700 -0.001 0.000 1.052 62 T CA 0.858 62.959 62.100 0.002 0.000 1.136 62 T CB -0.876 67.993 68.868 0.002 0.000 0.864 62 T HN 0.351 nan 8.240 nan 0.000 0.467 67 G N 0.446 109.223 108.800 -0.038 0.000 2.220 67 G HA2 -0.364 3.595 3.960 -0.001 0.000 0.269 67 G HA3 -0.364 3.595 3.960 -0.001 0.000 0.269 67 G C 0.273 175.141 174.900 -0.053 0.000 0.977 67 G CA 0.993 46.066 45.100 -0.045 0.000 0.634 67 G HN 0.390 nan 8.290 nan 0.000 0.539 68 R N 0.944 121.414 120.500 -0.051 0.000 2.357 68 R HA 0.652 4.991 4.340 -0.001 0.000 0.296 68 R C 0.828 177.086 176.300 -0.070 0.000 1.052 68 R CA 0.227 56.293 56.100 -0.057 0.000 0.988 68 R CB 0.557 30.831 30.300 -0.043 0.000 1.025 68 R HN 0.543 nan 8.270 nan 0.000 0.469 69 A N 3.652 126.421 122.820 -0.086 0.000 2.425 69 A HA 0.303 4.623 4.320 -0.001 0.000 0.249 69 A C -0.122 177.396 177.584 -0.111 0.000 1.084 69 A CA -0.533 51.442 52.037 -0.103 0.000 0.781 69 A CB 0.386 19.312 19.000 -0.122 0.000 1.019 69 A HN 0.616 nan 8.150 nan 0.000 0.490 70 V N 1.352 121.188 119.914 -0.131 0.000 2.612 70 V HA 0.684 4.804 4.120 -0.001 0.000 0.301 70 V C -0.095 175.851 176.094 -0.247 0.000 1.046 70 V CA -0.889 61.312 62.300 -0.165 0.000 0.946 70 V CB 0.986 32.721 31.823 -0.148 0.000 1.003 70 V HN 0.698 nan 8.190 nan 0.000 0.459 71 L N 4.054 125.064 121.223 -0.354 0.000 2.312 71 L HA 0.592 4.931 4.340 -0.001 0.000 0.281 71 L C -0.467 175.950 176.870 -0.756 0.000 1.070 71 L CA -0.448 54.062 54.840 -0.550 0.000 0.805 71 L CB 1.793 43.425 42.059 -0.712 0.000 1.174 71 L HN 0.578 nan 8.230 nan 0.000 0.434 72 V N 2.441 121.941 119.914 -0.689 0.000 2.376 72 V HA 0.408 4.527 4.120 -0.001 0.000 0.287 72 V C 0.509 176.149 176.094 -0.757 0.000 1.015 72 V CA -0.677 61.221 62.300 -0.669 0.000 0.834 72 V CB 1.464 33.066 31.823 -0.368 0.000 1.001 72 V HN 0.851 nan 8.190 nan 0.000 0.428 73 G N 3.081 111.240 108.800 -1.069 0.000 2.349 73 G HA2 0.332 4.291 3.960 -0.001 0.000 0.281 73 G HA3 0.332 4.291 3.960 -0.001 0.000 0.281 73 G C -0.094 174.620 174.900 -0.310 0.000 1.182 73 G CA -0.162 44.320 45.100 -1.029 0.000 0.899 73 G HN 0.772 nan 8.290 nan 0.000 0.455 74 C N 3.005 122.280 119.300 -0.041 0.000 2.256 74 C HA 0.323 4.782 4.460 -0.001 0.000 0.333 74 C C 1.199 176.367 174.990 0.295 0.000 1.183 74 C CA -0.595 58.482 59.018 0.098 0.000 1.692 74 C CB -0.939 26.823 27.740 0.035 0.000 2.274 74 C HN 0.763 nan 8.230 nan 0.000 0.509 75 T N 3.366 118.075 114.554 0.259 0.000 2.933 75 T HA 0.268 4.617 4.350 -0.001 0.000 0.306 75 T C 0.963 175.628 174.700 -0.058 0.000 1.045 75 T CA 0.534 62.695 62.100 0.102 0.000 1.143 75 T CB 0.505 69.358 68.868 -0.024 0.000 1.003 75 T HN 0.909 nan 8.240 nan 0.000 0.540 76 G N 1.502 110.239 108.800 -0.105 0.000 2.563 76 G HA2 0.359 4.318 3.960 -0.001 0.000 0.283 76 G HA3 0.359 4.318 3.960 -0.001 0.000 0.283 76 G C 1.174 175.929 174.900 -0.241 0.000 1.309 76 G CA -0.092 44.941 45.100 -0.112 0.000 1.022 76 G HN 0.758 nan 8.290 nan 0.000 0.501 77 T N -2.786 111.694 114.554 -0.123 0.000 3.065 77 T HA 0.414 4.764 4.350 -0.001 0.000 0.252 77 T C 1.273 176.008 174.700 0.059 0.000 1.099 77 T CA 0.635 62.696 62.100 -0.065 0.000 1.063 77 T CB -0.082 68.840 68.868 0.090 0.000 0.948 77 T HN 0.903 nan 8.240 nan 0.000 0.506 78 A N 1.207 124.045 122.820 0.030 0.000 2.566 78 A HA 0.595 4.914 4.320 -0.001 0.000 0.245 78 A C 1.848 179.508 177.584 0.126 0.000 1.056 78 A CA 0.274 52.372 52.037 0.101 0.000 0.757 78 A CB -0.368 18.688 19.000 0.093 0.000 0.979 78 A HN 0.663 nan 8.150 nan 0.000 0.508 79 A N 2.905 125.828 122.820 0.172 0.000 2.070 79 A HA -0.152 4.168 4.320 -0.001 0.000 0.220 79 A C 1.598 179.247 177.584 0.109 0.000 1.159 79 A CA 1.663 53.812 52.037 0.186 0.000 0.656 79 A CB -0.532 18.512 19.000 0.072 0.000 0.800 79 A HN 1.067 nan 8.150 nan 0.000 0.453 80 N N -0.017 118.711 118.700 0.046 0.000 2.322 80 N HA 0.189 4.928 4.740 -0.001 0.000 0.194 80 N C 0.696 176.196 175.510 -0.017 0.000 1.126 80 N CA 0.677 53.725 53.050 -0.004 0.000 0.845 80 N CB -0.533 37.926 38.487 -0.047 0.000 0.976 80 N HN 0.241 nan 8.380 nan 0.000 0.475 81 G N -1.597 107.197 108.800 -0.009 0.000 2.531 81 G HA2 0.656 4.615 3.960 -0.001 0.000 0.281 81 G HA3 0.656 4.615 3.960 -0.001 0.000 0.281 81 G C 0.120 174.996 174.900 -0.041 0.000 1.382 81 G CA -0.156 44.910 45.100 -0.058 0.000 1.045 81 G HN 0.586 nan 8.290 nan 0.000 0.533 82 G N -1.793 106.969 108.800 -0.064 0.000 2.291 82 G HA2 0.188 4.148 3.960 -0.001 0.000 0.249 82 G HA3 0.188 4.148 3.960 -0.001 0.000 0.249 82 G C -2.444 172.471 174.900 0.025 0.000 1.340 82 G CA 0.221 45.316 45.100 -0.010 0.000 1.017 82 G HN 0.422 nan 8.290 nan 0.000 0.470 83 P HA 0.029 nan 4.420 nan 0.000 0.225 83 P C 1.227 178.560 177.300 0.054 0.000 1.148 83 P CA 1.098 64.244 63.100 0.076 0.000 0.779 83 P CB -0.145 31.593 31.700 0.062 0.000 0.780 84 H N -0.739 118.320 119.070 -0.019 0.000 2.495 84 H HA -0.068 4.488 4.556 -0.001 0.000 0.287 84 H C 1.971 177.253 175.328 -0.077 0.000 1.033 84 H CA 0.882 56.910 56.048 -0.032 0.000 1.307 84 H CB 0.091 29.832 29.762 -0.036 0.000 1.401 84 H HN 0.319 nan 8.280 nan 0.000 0.555 85 E N 0.935 121.104 120.200 -0.052 0.000 2.086 85 E HA -0.208 4.141 4.350 -0.001 0.000 0.200 85 E C 0.709 177.099 176.600 -0.350 0.000 1.012 85 E CA 1.392 57.610 56.400 -0.303 0.000 0.812 85 E CB -0.084 29.243 29.700 -0.620 0.000 0.743 85 E HN 0.386 nan 8.360 nan 0.000 0.453 86 F N -0.092 119.884 119.950 0.042 0.000 2.641 86 F HA 0.208 4.734 4.527 -0.001 0.000 0.302 86 F C 1.506 177.226 175.800 -0.133 0.000 1.098 86 F CA -0.533 57.448 58.000 -0.032 0.000 1.318 86 F CB 0.361 39.390 39.000 0.048 0.000 1.035 86 F HN 0.003 nan 8.300 nan 0.000 0.551 87 L N -0.091 121.154 121.223 0.037 0.000 2.017 87 L HA -0.211 4.128 4.340 -0.001 0.000 0.208 87 L C 2.537 179.380 176.870 -0.046 0.000 1.073 87 L CA 1.601 56.428 54.840 -0.022 0.000 0.745 87 L CB -0.470 41.562 42.059 -0.046 0.000 0.894 87 L HN 0.137 nan 8.230 nan 0.000 0.432 88 R N -0.427 120.052 120.500 -0.035 0.000 2.075 88 R HA -0.177 4.162 4.340 -0.001 0.000 0.232 88 R C 2.219 178.470 176.300 -0.082 0.000 1.126 88 R CA 1.246 57.313 56.100 -0.055 0.000 0.963 88 R CB -0.541 29.730 30.300 -0.048 0.000 0.858 88 R HN 0.186 nan 8.270 nan 0.000 0.435 89 L N 1.199 122.385 121.223 -0.062 0.000 2.017 89 L HA -0.177 4.163 4.340 -0.001 0.000 0.208 89 L C 2.337 179.091 176.870 -0.194 0.000 1.073 89 L CA 2.174 56.960 54.840 -0.089 0.000 0.745 89 L CB -0.562 41.531 42.059 0.057 0.000 0.894 89 L HN 0.181 nan 8.230 nan 0.000 0.432 90 S N -1.818 113.723 115.700 -0.265 0.000 2.399 90 S HA -0.231 4.239 4.470 -0.001 0.000 0.231 90 S C 2.034 176.566 174.600 -0.113 0.000 1.022 90 S CA 1.485 59.498 58.200 -0.312 0.000 0.983 90 S CB -1.674 61.239 63.200 -0.478 0.000 0.803 90 S HN 0.708 nan 8.310 nan 0.000 0.480 91 T N -0.189 114.293 114.554 -0.120 0.000 2.803 91 T HA -0.053 4.297 4.350 -0.001 0.000 0.269 91 T C 1.867 176.496 174.700 -0.118 0.000 1.052 91 T CA 1.626 63.674 62.100 -0.087 0.000 1.136 91 T CB -1.029 67.793 68.868 -0.076 0.000 0.864 91 T HN 0.389 nan 8.240 nan 0.000 0.467 92 S N 0.611 116.173 115.700 -0.230 0.000 2.507 92 S HA 0.189 4.658 4.470 -0.001 0.000 0.235 92 S C 1.103 175.462 174.600 -0.402 0.000 0.988 92 S CA 0.523 58.522 58.200 -0.335 0.000 0.944 92 S CB -0.511 62.421 63.200 -0.446 0.000 0.762 92 S HN 0.646 nan 8.310 nan 0.000 0.526 93 F N 0.880 120.806 119.950 -0.039 0.000 2.754 93 F HA 0.240 4.766 4.527 -0.001 0.000 0.297 93 F C 1.166 176.972 175.800 0.011 0.000 1.122 93 F CA -0.470 57.535 58.000 0.007 0.000 1.400 93 F CB 0.042 39.075 39.000 0.055 0.000 1.117 93 F HN 0.060 nan 8.300 nan 0.000 0.587 94 Q N 1.673 121.541 119.800 0.113 0.000 2.286 94 Q HA -0.059 4.280 4.340 -0.001 0.000 0.290 94 Q C 0.573 176.608 176.000 0.059 0.000 1.049 94 Q CA 0.618 56.467 55.803 0.075 0.000 0.923 94 Q CB 0.101 28.857 28.738 0.030 0.000 1.183 94 Q HN 0.212 nan 8.270 nan 0.000 0.383 95 E N 2.378 122.614 120.200 0.059 0.000 3.628 95 E HA -0.242 4.107 4.350 -0.001 0.000 0.309 95 E C -0.160 176.475 176.600 0.059 0.000 0.839 95 E CA 1.408 57.836 56.400 0.045 0.000 1.123 95 E CB -1.002 28.714 29.700 0.027 0.000 1.568 95 E HN 0.846 nan 8.360 nan 0.000 0.440 96 E N -0.692 119.567 120.200 0.098 0.000 2.520 96 E HA 0.189 4.538 4.350 -0.001 0.000 0.201 96 E C 0.575 177.248 176.600 0.121 0.000 0.894 96 E CA 0.252 56.722 56.400 0.118 0.000 1.161 96 E CB 0.723 30.524 29.700 0.168 0.000 1.137 96 E HN -0.008 nan 8.360 nan 0.000 0.510 97 R N 1.456 122.051 120.500 0.158 0.000 2.668 97 R HA 0.296 4.635 4.340 -0.001 0.000 0.272 97 R C -1.181 175.160 176.300 0.069 0.000 1.019 97 R CA -0.690 55.456 56.100 0.076 0.000 0.894 97 R CB 1.400 31.710 30.300 0.017 0.000 1.228 97 R HN -0.013 nan 8.270 nan 0.000 0.460 98 D N 1.401 121.807 120.400 0.011 0.000 2.443 98 D HA 0.086 4.725 4.640 -0.001 0.000 0.239 98 D C -0.643 175.647 176.300 -0.016 0.000 1.136 98 D CA 0.811 54.816 54.000 0.009 0.000 0.879 98 D CB 0.355 41.135 40.800 -0.033 0.000 1.195 98 D HN 0.243 nan 8.370 nan 0.000 0.443 99 F N 2.452 122.331 119.950 -0.120 0.000 2.553 99 F HA 0.365 4.891 4.527 -0.001 0.000 0.335 99 F C -1.284 174.438 175.800 -0.130 0.000 1.148 99 F CA -0.804 57.084 58.000 -0.187 0.000 0.963 99 F CB 0.705 39.609 39.000 -0.161 0.000 1.217 99 F HN 0.104 nan 8.300 nan 0.000 0.441 100 L N 5.943 126.958 121.223 -0.348 0.000 2.307 100 L HA 0.740 5.079 4.340 -0.001 0.000 0.284 100 L C -0.209 176.499 176.870 -0.270 0.000 1.023 100 L CA -0.936 53.792 54.840 -0.187 0.000 0.810 100 L CB 1.754 43.695 42.059 -0.197 0.000 1.231 100 L HN 0.714 nan 8.230 nan 0.000 0.423 101 A N 3.686 126.510 122.820 0.007 0.000 2.260 101 A HA 0.571 4.890 4.320 -0.001 0.000 0.314 101 A C -0.675 176.941 177.584 0.054 0.000 1.257 101 A CA -0.445 51.646 52.037 0.089 0.000 0.871 101 A CB 1.444 20.666 19.000 0.370 0.000 1.166 101 A HN 0.452 nan 8.150 nan 0.000 0.522 102 V N 5.418 125.346 119.914 0.022 0.000 2.394 102 V HA 0.506 4.625 4.120 -0.001 0.000 0.282 102 V C -2.377 173.750 176.094 0.055 0.000 1.031 102 V CA -2.179 60.131 62.300 0.017 0.000 0.881 102 V CB 1.608 33.412 31.823 -0.031 0.000 0.982 102 V HN 0.794 nan 8.190 nan 0.000 0.451 103 P HA 0.185 nan 4.420 nan 0.000 0.272 103 P C -0.996 176.325 177.300 0.034 0.000 1.223 103 P CA -0.317 62.807 63.100 0.041 0.000 0.784 103 P CB 0.533 32.264 31.700 0.051 0.000 0.923 104 L N 4.871 126.090 121.223 -0.007 0.000 2.264 104 L HA 0.463 4.802 4.340 -0.001 0.000 0.289 104 L C -2.412 174.606 176.870 0.246 0.000 1.044 104 L CA -2.535 52.314 54.840 0.016 0.000 0.807 104 L CB 0.510 42.407 42.059 -0.269 0.000 1.192 104 L HN 0.226 nan 8.230 nan 0.000 0.425 105 P HA 0.284 nan 4.420 nan 0.000 0.264 105 P C 0.490 178.138 177.300 0.580 0.000 1.193 105 P CA 0.704 64.051 63.100 0.412 0.000 0.763 105 P CB 0.784 32.792 31.700 0.512 0.000 0.810 106 G N 1.642 110.685 108.800 0.406 0.000 2.231 106 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.206 106 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.206 106 G C 0.457 175.399 174.900 0.070 0.000 0.996 106 G CA -0.345 44.915 45.100 0.267 0.000 0.645 106 G HN 0.462 nan 8.290 nan 0.000 0.498 107 Y N 1.443 121.823 120.300 0.134 0.000 2.449 107 Y HA 0.471 5.020 4.550 -0.002 0.000 0.254 107 Y C 2.176 178.112 175.900 0.060 0.000 1.140 107 Y CA 0.076 58.225 58.100 0.083 0.000 1.272 107 Y CB 0.397 38.895 38.460 0.063 0.000 1.114 107 Y HN 0.410 nan 8.280 nan 0.000 0.525 108 G N -0.061 108.847 108.800 0.179 0.000 2.616 108 G HA2 0.453 4.412 3.960 -0.001 0.000 0.268 108 G HA3 0.453 4.412 3.960 -0.001 0.000 0.268 108 G C -0.456 174.490 174.900 0.076 0.000 1.213 108 G CA -0.151 45.018 45.100 0.114 0.000 0.926 108 G HN 0.047 nan 8.290 nan 0.000 0.523 109 T N -1.373 113.218 114.554 0.061 0.000 2.906 109 T HA 0.769 5.118 4.350 -0.001 0.000 0.295 109 T C 0.078 174.799 174.700 0.036 0.000 1.061 109 T CA 0.068 62.196 62.100 0.046 0.000 1.000 109 T CB 2.112 71.008 68.868 0.046 0.000 1.103 109 T HN 1.124 nan 8.240 nan 0.000 0.486 115 T N -1.180 113.391 114.554 0.028 0.000 2.926 115 T HA 0.782 5.131 4.350 -0.001 0.000 0.289 115 T C 0.309 175.028 174.700 0.032 0.000 1.054 115 T CA 0.292 62.408 62.100 0.028 0.000 1.015 115 T CB 1.583 70.463 68.868 0.019 0.000 1.167 115 T HN 1.726 nan 8.240 nan 0.000 0.526 116 A N 1.414 124.256 122.820 0.037 0.000 2.462 116 A HA 0.533 4.852 4.320 -0.001 0.000 0.243 116 A C 0.509 178.139 177.584 0.076 0.000 1.076 116 A CA -0.636 51.433 52.037 0.053 0.000 0.773 116 A CB -0.526 18.517 19.000 0.072 0.000 1.010 116 A HN 0.838 nan 8.150 nan 0.000 0.493 117 L N 1.981 123.273 121.223 0.114 0.000 2.485 117 L HA 0.123 4.463 4.340 -0.001 0.000 0.275 117 L C 0.089 177.151 176.870 0.320 0.000 1.207 117 L CA 0.041 55.003 54.840 0.205 0.000 0.855 117 L CB 0.080 42.311 42.059 0.287 0.000 1.114 117 L HN 0.554 nan 8.230 nan 0.000 0.485 118 L N 4.251 125.588 121.223 0.189 0.000 2.357 118 L HA 0.414 4.753 4.340 -0.001 0.000 0.273 118 L C -2.019 174.792 176.870 -0.099 0.000 1.080 118 L CA -2.035 52.862 54.840 0.096 0.000 0.803 118 L CB 1.281 43.292 42.059 -0.079 0.000 1.174 118 L HN 0.364 nan 8.230 nan 0.000 0.443 119 P HA 0.015 nan 4.420 nan 0.000 0.271 119 P C -0.000 177.058 177.300 -0.403 0.000 1.216 119 P CA -0.138 62.434 63.100 -0.881 0.000 0.776 119 P CB 1.145 32.589 31.700 -0.426 0.000 0.881 120 A N 3.340 125.886 122.820 -0.457 0.000 1.969 120 A HA -0.098 4.221 4.320 -0.001 0.000 0.218 120 A C 0.607 178.109 177.584 -0.137 0.000 1.169 120 A CA 1.730 53.639 52.037 -0.213 0.000 0.635 120 A CB -0.836 18.048 19.000 -0.193 0.000 0.810 120 A HN 0.731 nan 8.150 nan 0.000 0.445 121 D N -4.301 115.910 120.400 -0.315 0.000 2.596 121 D HA 0.356 4.995 4.640 -0.001 0.000 0.262 121 D C 0.236 175.969 176.300 -0.945 0.000 1.210 121 D CA -0.696 52.935 54.000 -0.614 0.000 0.873 121 D CB 0.299 40.879 40.800 -0.366 0.000 1.408 121 D HN -0.110 nan 8.370 nan 0.000 0.441 122 L N 0.471 120.881 121.223 -1.356 0.000 2.046 122 L HA -0.022 4.317 4.340 -0.001 0.000 0.208 122 L C 1.135 177.843 176.870 -0.269 0.000 1.077 122 L CA 2.022 56.370 54.840 -0.819 0.000 0.747 122 L CB -0.871 40.852 42.059 -0.560 0.000 0.896 122 L HN 0.467 nan 8.230 nan 0.000 0.432 123 D N -1.011 119.258 120.400 -0.218 0.000 2.149 123 D HA -0.167 4.473 4.640 -0.001 0.000 0.198 123 D C 2.028 178.318 176.300 -0.017 0.000 0.990 123 D CA 1.742 55.704 54.000 -0.063 0.000 0.839 123 D CB -0.162 40.610 40.800 -0.046 0.000 0.948 123 D HN 0.396 nan 8.370 nan 0.000 0.460 124 T N 0.539 115.045 114.554 -0.079 0.000 2.708 124 T HA -0.119 4.230 4.350 -0.001 0.000 0.266 124 T C 2.032 176.819 174.700 0.146 0.000 1.037 124 T CA 1.535 63.629 62.100 -0.010 0.000 1.146 124 T CB -0.267 68.496 68.868 -0.175 0.000 0.865 124 T HN 0.202 nan 8.240 nan 0.000 0.435 125 A N 1.267 124.158 122.820 0.119 0.000 1.902 125 A HA 0.043 4.362 4.320 -0.001 0.000 0.217 125 A C 2.322 180.051 177.584 0.241 0.000 1.181 125 A CA 1.128 53.361 52.037 0.326 0.000 0.623 125 A CB -0.836 18.413 19.000 0.416 0.000 0.818 125 A HN 0.470 nan 8.150 nan 0.000 0.443 126 L N -0.565 120.754 121.223 0.160 0.000 2.083 126 L HA -0.182 4.157 4.340 -0.001 0.000 0.209 126 L C 2.062 178.987 176.870 0.092 0.000 1.083 126 L CA 1.364 56.273 54.840 0.115 0.000 0.752 126 L CB -0.691 41.426 42.059 0.098 0.000 0.899 126 L HN 0.298 nan 8.230 nan 0.000 0.433 127 D N 0.314 120.799 120.400 0.142 0.000 2.117 127 D HA -0.143 4.496 4.640 -0.001 0.000 0.197 127 D C 2.259 178.627 176.300 0.113 0.000 0.987 127 D CA 1.497 55.611 54.000 0.190 0.000 0.829 127 D CB -0.035 40.895 40.800 0.216 0.000 0.961 127 D HN 0.283 nan 8.370 nan 0.000 0.460 128 A N 0.843 123.748 122.820 0.142 0.000 1.908 128 A HA -0.255 4.065 4.320 -0.001 0.000 0.218 128 A C 2.129 179.736 177.584 0.039 0.000 1.181 128 A CA 1.606 53.704 52.037 0.101 0.000 0.627 128 A CB -0.642 18.444 19.000 0.142 0.000 0.818 128 A HN 0.243 nan 8.150 nan 0.000 0.445 129 Q N -0.852 118.974 119.800 0.044 0.000 2.079 129 Q HA -0.074 4.266 4.340 -0.001 0.000 0.200 129 Q C 2.488 178.441 176.000 -0.078 0.000 0.974 129 Q CA 1.218 57.019 55.803 -0.003 0.000 0.840 129 Q CB -0.385 28.364 28.738 0.018 0.000 0.898 129 Q HN 0.686 nan 8.270 nan 0.000 0.430 130 A N 1.433 124.165 122.820 -0.147 0.000 1.883 130 A HA -0.246 4.074 4.320 -0.001 0.000 0.217 130 A C 2.036 179.456 177.584 -0.273 0.000 1.186 130 A CA 1.645 53.487 52.037 -0.326 0.000 0.624 130 A CB -0.456 18.097 19.000 -0.745 0.000 0.822 130 A HN 0.212 nan 8.150 nan 0.000 0.444 131 R N -0.533 119.862 120.500 -0.174 0.000 2.081 131 R HA -0.049 4.290 4.340 -0.001 0.000 0.235 131 R C 2.448 178.713 176.300 -0.059 0.000 1.131 131 R CA 1.311 57.368 56.100 -0.072 0.000 0.960 131 R CB -0.482 29.821 30.300 0.005 0.000 0.856 131 R HN 0.521 nan 8.270 nan 0.000 0.436 132 A N 0.815 123.602 122.820 -0.055 0.000 1.930 132 A HA -0.119 4.200 4.320 -0.001 0.000 0.217 132 A C 2.134 179.680 177.584 -0.063 0.000 1.175 132 A CA 1.183 53.192 52.037 -0.047 0.000 0.627 132 A CB -0.425 18.554 19.000 -0.035 0.000 0.815 132 A HN 0.191 nan 8.150 nan 0.000 0.443 133 I N -0.400 120.119 120.570 -0.086 0.000 2.202 133 I HA -0.233 3.936 4.170 -0.001 0.000 0.242 133 I C 2.366 178.426 176.117 -0.095 0.000 1.091 133 I CA 1.018 62.257 61.300 -0.101 0.000 1.368 133 I CB -0.295 37.631 38.000 -0.124 0.000 1.058 133 I HN 0.286 nan 8.210 nan 0.000 0.410 134 L N 0.149 121.313 121.223 -0.099 0.000 2.046 134 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 134 L C 2.775 179.611 176.870 -0.057 0.000 1.077 134 L CA 1.344 56.137 54.840 -0.078 0.000 0.747 134 L CB -0.632 41.384 42.059 -0.072 0.000 0.896 134 L HN 0.222 nan 8.230 nan 0.000 0.432 135 R N 0.277 120.747 120.500 -0.049 0.000 2.080 135 R HA -0.214 4.125 4.340 -0.001 0.000 0.236 135 R C 2.298 178.574 176.300 -0.040 0.000 1.137 135 R CA 1.793 57.871 56.100 -0.037 0.000 0.943 135 R CB -0.283 29.999 30.300 -0.030 0.000 0.846 135 R HN 0.361 nan 8.270 nan 0.000 0.431 136 A N 0.011 122.802 122.820 -0.048 0.000 1.968 136 A HA 0.014 4.333 4.320 -0.001 0.000 0.217 136 A C 2.140 179.690 177.584 -0.056 0.000 1.169 136 A CA 1.446 53.453 52.037 -0.049 0.000 0.638 136 A CB -0.376 18.592 19.000 -0.054 0.000 0.812 136 A HN 0.534 nan 8.150 nan 0.000 0.446 137 A N -1.633 121.147 122.820 -0.067 0.000 2.081 137 A HA 0.432 4.751 4.320 -0.001 0.000 0.214 137 A C 1.971 179.520 177.584 -0.059 0.000 1.158 137 A CA 1.383 53.376 52.037 -0.073 0.000 0.724 137 A CB -0.973 17.972 19.000 -0.091 0.000 0.826 137 A HN 1.836 nan 8.150 nan 0.000 0.463 138 G N 0.006 108.776 108.800 -0.050 0.000 2.596 138 G HA2 -0.372 3.587 3.960 -0.001 0.000 0.304 138 G HA3 -0.372 3.587 3.960 -0.001 0.000 0.304 138 G C 0.536 175.411 174.900 -0.042 0.000 1.189 138 G CA 0.592 45.668 45.100 -0.040 0.000 0.986 138 G HN 0.321 nan 8.290 nan 0.000 0.548 139 D N 2.069 122.445 120.400 -0.040 0.000 2.350 139 D HA 0.417 5.056 4.640 -0.001 0.000 0.213 139 D C 1.503 177.775 176.300 -0.047 0.000 1.031 139 D CA 0.847 54.823 54.000 -0.040 0.000 0.861 139 D CB 0.040 40.820 40.800 -0.033 0.000 0.926 139 D HN 0.782 nan 8.370 nan 0.000 0.520 140 A N 2.183 124.971 122.820 -0.054 0.000 2.477 140 A HA 0.344 4.664 4.320 -0.001 0.000 0.246 140 A C -2.195 175.345 177.584 -0.072 0.000 1.078 140 A CA -0.818 51.182 52.037 -0.062 0.000 0.770 140 A CB 0.006 18.966 19.000 -0.067 0.000 1.011 140 A HN -0.095 nan 8.150 nan 0.000 0.494 141 P HA 0.274 nan 4.420 nan 0.000 0.269 141 P C -0.761 176.479 177.300 -0.100 0.000 1.209 141 P CA -0.094 62.956 63.100 -0.084 0.000 0.776 141 P CB 0.666 32.314 31.700 -0.087 0.000 0.876 142 V N 3.590 123.442 119.914 -0.103 0.000 2.513 142 V HA 0.296 4.416 4.120 -0.001 0.000 0.299 142 V C -0.101 175.923 176.094 -0.116 0.000 1.035 142 V CA -0.582 61.643 62.300 -0.124 0.000 0.889 142 V CB 2.200 33.947 31.823 -0.126 0.000 0.988 142 V HN 0.192 nan 8.190 nan 0.000 0.440 143 V N 6.457 126.289 119.914 -0.138 0.000 2.378 143 V HA 0.438 4.557 4.120 -0.001 0.000 0.288 143 V C -0.065 175.938 176.094 -0.152 0.000 1.016 143 V CA -0.491 61.751 62.300 -0.096 0.000 0.840 143 V CB 1.527 33.322 31.823 -0.047 0.000 0.994 143 V HN 0.617 nan 8.190 nan 0.000 0.431 144 L N 5.765 126.918 121.223 -0.117 0.000 2.371 144 L HA 0.598 4.937 4.340 -0.001 0.000 0.272 144 L C -0.352 176.431 176.870 -0.145 0.000 1.124 144 L CA -0.238 54.509 54.840 -0.155 0.000 0.816 144 L CB 1.190 43.181 42.059 -0.112 0.000 1.129 144 L HN 0.499 nan 8.230 nan 0.000 0.448 145 L N 1.825 122.936 121.223 -0.188 0.000 2.431 145 L HA 0.898 5.237 4.340 -0.001 0.000 0.266 145 L C -0.544 176.310 176.870 -0.027 0.000 0.978 145 L CA -0.049 54.721 54.840 -0.117 0.000 0.822 145 L CB 2.017 43.998 42.059 -0.129 0.000 1.310 145 L HN 0.661 nan 8.230 nan 0.000 0.409 146 G N 1.572 110.413 108.800 0.068 0.000 2.704 146 G HA2 0.332 4.291 3.960 -0.001 0.000 0.293 146 G HA3 0.332 4.291 3.960 -0.001 0.000 0.293 146 G C -2.345 172.697 174.900 0.236 0.000 1.421 146 G CA -0.452 44.768 45.100 0.200 0.000 0.870 146 G HN 0.770 nan 8.290 nan 0.000 0.492 147 H N 0.763 119.931 119.070 0.163 0.000 2.547 147 H HA 0.582 5.137 4.556 -0.001 0.000 0.342 147 H C 0.645 176.025 175.328 0.088 0.000 1.048 147 H CA 0.377 56.483 56.048 0.096 0.000 1.204 147 H CB 1.831 31.644 29.762 0.085 0.000 1.493 147 H HN 0.825 nan 8.280 nan 0.000 0.511 148 S N 2.713 118.255 115.700 -0.262 0.000 4.116 148 S HA -0.318 4.151 4.470 -0.001 0.000 0.623 148 S C 1.869 176.504 174.600 0.058 0.000 1.933 148 S CA 1.648 59.793 58.200 -0.092 0.000 4.224 148 S CB -1.654 61.390 63.200 -0.261 0.000 0.208 148 S HN 1.057 nan 8.310 nan 0.000 0.527 149 G N 0.918 109.762 108.800 0.073 0.000 2.505 149 G HA2 -0.068 3.891 3.960 -0.001 0.000 0.220 149 G HA3 -0.068 3.891 3.960 -0.001 0.000 0.220 149 G C 1.615 176.560 174.900 0.075 0.000 1.145 149 G CA 1.457 46.616 45.100 0.098 0.000 0.761 149 G HN 1.424 nan 8.290 nan 0.000 0.571 150 G N 0.964 109.794 108.800 0.050 0.000 2.442 150 G HA2 0.040 3.999 3.960 -0.001 0.000 0.219 150 G HA3 0.040 3.999 3.960 -0.001 0.000 0.219 150 G C 2.024 176.972 174.900 0.081 0.000 1.141 150 G CA 1.513 46.657 45.100 0.075 0.000 0.763 150 G HN 0.685 nan 8.290 nan 0.000 0.554 151 A N 0.812 123.672 122.820 0.068 0.000 1.877 151 A HA 0.077 4.396 4.320 -0.001 0.000 0.216 151 A C 2.438 180.018 177.584 -0.006 0.000 1.186 151 A CA 1.348 53.388 52.037 0.005 0.000 0.620 151 A CB -0.445 18.545 19.000 -0.017 0.000 0.822 151 A HN 0.353 nan 8.150 nan 0.000 0.443 152 L N -0.711 120.565 121.223 0.089 0.000 2.042 152 L HA -0.199 4.140 4.340 -0.001 0.000 0.210 152 L C 2.552 179.531 176.870 0.182 0.000 1.076 152 L CA 1.124 56.073 54.840 0.182 0.000 0.749 152 L CB -0.708 41.491 42.059 0.234 0.000 0.893 152 L HN 0.342 nan 8.230 nan 0.000 0.432 153 L N -0.255 121.049 121.223 0.136 0.000 2.093 153 L HA -0.170 4.169 4.340 -0.001 0.000 0.208 153 L C 2.928 179.848 176.870 0.084 0.000 1.085 153 L CA 0.994 55.908 54.840 0.123 0.000 0.755 153 L CB -0.662 41.444 42.059 0.077 0.000 0.904 153 L HN 0.247 nan 8.230 nan 0.000 0.435 154 A N -0.741 122.108 122.820 0.048 0.000 1.883 154 A HA -0.297 4.022 4.320 -0.001 0.000 0.217 154 A C 2.312 179.897 177.584 0.002 0.000 1.186 154 A CA 1.865 53.902 52.037 -0.000 0.000 0.624 154 A CB -0.962 18.015 19.000 -0.038 0.000 0.822 154 A HN 0.519 nan 8.150 nan 0.000 0.444 155 H N -0.216 118.823 119.070 -0.051 0.000 2.321 155 H HA -0.111 4.444 4.556 -0.001 0.000 0.300 155 H C 1.772 177.181 175.328 0.135 0.000 1.087 155 H CA 1.837 57.891 56.048 0.011 0.000 1.319 155 H CB -0.001 29.766 29.762 0.009 0.000 1.379 155 H HN 0.409 nan 8.280 nan 0.000 0.501 156 E N 0.824 121.097 120.200 0.123 0.000 2.110 156 E HA -0.137 4.212 4.350 -0.001 0.000 0.193 156 E C 2.497 179.141 176.600 0.072 0.000 0.988 156 E CA 0.529 57.002 56.400 0.123 0.000 0.804 156 E CB -0.558 29.256 29.700 0.191 0.000 0.745 156 E HN 0.384 nan 8.360 nan 0.000 0.458 157 L N 0.887 122.134 121.223 0.040 0.000 2.056 157 L HA -0.036 4.303 4.340 -0.001 0.000 0.207 157 L C 2.183 179.036 176.870 -0.028 0.000 1.078 157 L CA 2.016 56.864 54.840 0.013 0.000 0.749 157 L CB -0.855 41.201 42.059 -0.004 0.000 0.901 157 L HN 0.045 nan 8.230 nan 0.000 0.433 158 A N -0.801 121.980 122.820 -0.065 0.000 1.883 158 A HA -0.299 4.020 4.320 -0.001 0.000 0.217 158 A C 2.304 179.850 177.584 -0.064 0.000 1.186 158 A CA 2.078 54.067 52.037 -0.079 0.000 0.624 158 A CB -1.284 17.661 19.000 -0.091 0.000 0.822 158 A HN 0.559 nan 8.150 nan 0.000 0.444 159 F N 0.390 120.208 119.950 -0.220 0.000 2.134 159 F HA -0.131 4.395 4.527 -0.001 0.000 0.299 159 F C 2.286 178.065 175.800 -0.034 0.000 1.097 159 F CA 2.032 59.954 58.000 -0.130 0.000 1.264 159 F CB -0.148 38.765 39.000 -0.146 0.000 1.001 159 F HN 0.190 nan 8.300 nan 0.000 0.479 160 R N 0.695 121.194 120.500 -0.002 0.000 2.081 160 R HA -0.104 4.235 4.340 -0.001 0.000 0.235 160 R C 2.179 178.491 176.300 0.019 0.000 1.131 160 R CA 1.679 57.776 56.100 -0.005 0.000 0.960 160 R CB -0.981 29.381 30.300 0.104 0.000 0.856 160 R HN 0.453 nan 8.270 nan 0.000 0.436 161 L N 0.211 121.426 121.223 -0.015 0.000 2.012 161 L HA -0.192 4.147 4.340 -0.001 0.000 0.210 161 L C 2.562 179.414 176.870 -0.030 0.000 1.073 161 L CA 2.079 56.913 54.840 -0.009 0.000 0.748 161 L CB -0.520 41.487 42.059 -0.086 0.000 0.891 161 L HN 0.419 nan 8.230 nan 0.000 0.431 162 E N -0.205 119.909 120.200 -0.143 0.000 2.051 162 E HA -0.250 4.099 4.350 -0.001 0.000 0.192 162 E C 2.459 178.908 176.600 -0.253 0.000 0.991 162 E CA 0.987 57.275 56.400 -0.188 0.000 0.799 162 E CB 0.046 29.617 29.700 -0.215 0.000 0.748 162 E HN 0.212 nan 8.360 nan 0.000 0.449 163 R N -0.219 120.016 120.500 -0.442 0.000 2.062 163 R HA 0.023 4.362 4.340 -0.001 0.000 0.226 163 R C 1.860 178.021 176.300 -0.232 0.000 1.125 163 R CA 1.337 57.186 56.100 -0.419 0.000 0.966 163 R CB -0.145 29.731 30.300 -0.707 0.000 0.861 163 R HN 0.236 nan 8.270 nan 0.000 0.433 164 A N -0.780 121.922 122.820 -0.197 0.000 2.252 164 A HA 0.070 4.390 4.320 -0.001 0.000 0.213 164 A C 0.825 178.123 177.584 -0.476 0.000 1.188 164 A CA 0.225 52.092 52.037 -0.284 0.000 0.863 164 A CB 0.058 18.882 19.000 -0.293 0.000 0.893 164 A HN 0.365 nan 8.150 nan 0.000 0.495 165 H N -1.480 117.533 119.070 -0.095 0.000 3.078 165 H HA 0.220 4.775 4.556 -0.001 0.000 0.263 165 H C 1.390 176.675 175.328 -0.071 0.000 1.177 165 H CA 0.263 56.269 56.048 -0.071 0.000 1.128 165 H CB 0.467 30.191 29.762 -0.063 0.000 1.623 165 H HN 0.542 nan 8.280 nan 0.000 0.592 166 G N 1.911 110.704 108.800 -0.012 0.000 2.296 166 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.282 166 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.282 166 G C 0.442 175.330 174.900 -0.019 0.000 1.014 166 G CA 0.581 45.663 45.100 -0.030 0.000 0.812 166 G HN 0.597 nan 8.290 nan 0.000 0.508 167 A N 0.221 123.035 122.820 -0.011 0.000 3.258 167 A HA 0.710 5.029 4.320 -0.001 0.000 0.318 167 A C -1.887 175.670 177.584 -0.045 0.000 0.990 167 A CA -0.915 51.107 52.037 -0.024 0.000 0.885 167 A CB 1.240 20.230 19.000 -0.016 0.000 1.090 167 A HN 0.228 nan 8.150 nan 0.000 0.479 168 P HA 0.262 nan 4.420 nan 0.000 0.267 168 P C -2.608 174.665 177.300 -0.046 0.000 1.205 168 P CA -0.550 62.521 63.100 -0.049 0.000 0.765 168 P CB 0.111 31.790 31.700 -0.035 0.000 0.828 169 P HA 0.051 nan 4.420 nan 0.000 0.271 169 P C 0.766 178.042 177.300 -0.040 0.000 1.233 169 P CA -0.085 62.984 63.100 -0.051 0.000 0.789 169 P CB 0.287 31.958 31.700 -0.048 0.000 0.951 170 A N 0.785 123.570 122.820 -0.058 0.000 2.167 170 A HA 0.396 4.715 4.320 -0.001 0.000 0.214 170 A C 0.994 178.543 177.584 -0.058 0.000 1.151 170 A CA 1.476 53.468 52.037 -0.075 0.000 0.735 170 A CB -0.884 18.048 19.000 -0.113 0.000 0.802 170 A HN 0.706 nan 8.150 nan 0.000 0.467 171 G N -1.583 107.224 108.800 0.012 0.000 2.489 171 G HA2 0.488 4.447 3.960 -0.001 0.000 0.291 171 G HA3 0.488 4.447 3.960 -0.001 0.000 0.291 171 G C -1.487 173.511 174.900 0.163 0.000 1.487 171 G CA -0.687 44.516 45.100 0.172 0.000 0.795 171 G HN 0.248 nan 8.290 nan 0.000 0.513 172 I N 0.247 120.930 120.570 0.189 0.000 2.533 172 I HA 0.480 4.650 4.170 -0.001 0.000 0.290 172 I C -0.467 175.559 176.117 -0.151 0.000 1.056 172 I CA -1.212 60.085 61.300 -0.006 0.000 1.057 172 I CB 2.421 40.383 38.000 -0.064 0.000 1.240 172 I HN 0.225 nan 8.210 nan 0.000 0.423 173 V N 6.980 126.796 119.914 -0.163 0.000 2.347 173 V HA 0.404 4.524 4.120 -0.001 0.000 0.280 173 V C -0.067 175.906 176.094 -0.202 0.000 1.021 173 V CA -0.438 61.714 62.300 -0.247 0.000 0.847 173 V CB 1.500 33.250 31.823 -0.122 0.000 0.990 173 V HN 0.469 nan 8.190 nan 0.000 0.444 174 L N 5.982 127.041 121.223 -0.274 0.000 2.277 174 L HA 0.500 4.839 4.340 -0.001 0.000 0.284 174 L C -0.498 176.300 176.870 -0.120 0.000 1.028 174 L CA -0.617 54.075 54.840 -0.247 0.000 0.835 174 L CB 1.647 43.415 42.059 -0.485 0.000 1.215 174 L HN 0.362 nan 8.230 nan 0.000 0.425 175 V N 2.407 122.326 119.914 0.009 0.000 2.348 175 V HA 0.122 4.241 4.120 -0.001 0.000 0.270 175 V C 0.098 176.303 176.094 0.186 0.000 1.037 175 V CA -0.210 62.153 62.300 0.106 0.000 0.872 175 V CB 0.826 32.758 31.823 0.182 0.000 1.002 175 V HN 0.809 nan 8.190 nan 0.000 0.464 176 D N 3.642 124.118 120.400 0.128 0.000 2.697 176 D HA -0.114 4.525 4.640 -0.001 0.000 0.238 176 D C -2.286 174.096 176.300 0.136 0.000 1.152 176 D CA 0.438 54.537 54.000 0.165 0.000 0.666 176 D CB -0.092 40.916 40.800 0.346 0.000 1.037 176 D HN 0.494 nan 8.370 nan 0.000 0.423 177 P HA 0.154 nan 4.420 nan 0.000 0.279 177 P C -0.825 176.476 177.300 0.002 0.000 1.239 177 P CA -0.130 63.034 63.100 0.106 0.000 0.789 177 P CB 0.412 32.188 31.700 0.127 0.000 0.933 178 Y N 3.809 124.244 120.300 0.224 0.000 2.686 178 Y HA 0.289 4.838 4.550 -0.001 0.000 0.331 178 Y C -1.752 174.262 175.900 0.190 0.000 0.996 178 Y CA -2.227 55.988 58.100 0.192 0.000 1.293 178 Y CB 1.298 39.789 38.460 0.052 0.000 1.092 178 Y HN 0.312 nan 8.280 nan 0.000 0.524 179 P HA 0.144 nan 4.420 nan 0.000 0.274 179 P C -2.312 175.076 177.300 0.146 0.000 1.256 179 P CA -1.692 61.531 63.100 0.205 0.000 0.795 179 P CB 1.213 32.931 31.700 0.031 0.000 1.038 180 P HA -0.135 nan 4.420 nan 0.000 0.218 180 P C 1.493 178.823 177.300 0.049 0.000 1.146 180 P CA 2.032 65.168 63.100 0.060 0.000 0.813 180 P CB -0.504 31.215 31.700 0.033 0.000 0.778 181 G N -2.636 106.187 108.800 0.037 0.000 2.744 181 G HA2 -0.147 3.812 3.960 -0.001 0.000 0.211 181 G HA3 -0.147 3.812 3.960 -0.001 0.000 0.211 181 G C 0.205 175.164 174.900 0.098 0.000 1.143 181 G CA 0.355 45.472 45.100 0.028 0.000 0.788 181 G HN 0.329 nan 8.290 nan 0.000 0.534 182 H N -0.150 118.932 119.070 0.020 0.000 2.429 182 H HA 0.378 4.934 4.556 -0.001 0.000 0.231 182 H C 0.805 176.218 175.328 0.142 0.000 1.416 182 H CA -0.656 55.424 56.048 0.053 0.000 1.443 182 H CB 0.263 30.045 29.762 0.034 0.000 1.591 182 H HN 0.027 nan 8.280 nan 0.000 0.507 183 Q N 1.185 120.969 119.800 -0.027 0.000 2.247 183 Q HA 0.038 4.377 4.340 -0.001 0.000 0.211 183 Q C 1.392 177.307 176.000 -0.141 0.000 0.861 183 Q CA 0.038 55.795 55.803 -0.076 0.000 0.949 183 Q CB 0.960 29.690 28.738 -0.013 0.000 1.115 183 Q HN 0.701 nan 8.270 nan 0.000 0.507 184 E N 1.416 121.545 120.200 -0.119 0.000 2.058 184 E HA -0.168 4.182 4.350 -0.001 0.000 0.194 184 E C -0.920 175.622 176.600 -0.097 0.000 0.997 184 E CA 1.394 57.777 56.400 -0.028 0.000 0.801 184 E CB -0.222 29.560 29.700 0.137 0.000 0.746 184 E HN 0.200 nan 8.360 nan 0.000 0.450 185 P HA -0.153 nan 4.420 nan 0.000 0.218 185 P C 1.011 177.894 177.300 -0.696 0.000 1.149 185 P CA 0.967 63.545 63.100 -0.870 0.000 0.817 185 P CB 0.046 31.023 31.700 -1.205 0.000 0.785 186 I N -0.070 120.194 120.570 -0.509 0.000 2.252 186 I HA -0.176 3.994 4.170 -0.001 0.000 0.245 186 I C 2.065 178.135 176.117 -0.078 0.000 1.102 186 I CA 1.519 62.655 61.300 -0.273 0.000 1.385 186 I CB -1.605 36.266 38.000 -0.215 0.000 1.064 186 I HN 0.110 nan 8.210 nan 0.000 0.414 187 E N 0.479 120.630 120.200 -0.082 0.000 2.028 187 E HA -0.144 4.205 4.350 -0.001 0.000 0.191 187 E C 2.357 178.970 176.600 0.021 0.000 0.988 187 E CA 1.209 57.605 56.400 -0.007 0.000 0.799 187 E CB -0.114 29.575 29.700 -0.019 0.000 0.755 187 E HN 0.217 nan 8.360 nan 0.000 0.447 188 V N 0.370 120.260 119.914 -0.040 0.000 2.515 188 V HA -0.181 3.938 4.120 -0.001 0.000 0.250 188 V C 1.111 177.310 176.094 0.175 0.000 1.058 188 V CA 1.124 63.424 62.300 0.001 0.000 1.064 188 V CB -0.305 31.484 31.823 -0.057 0.000 0.675 188 V HN 0.423 nan 8.190 nan 0.000 0.461 189 W N 0.282 121.619 121.300 0.061 0.000 3.305 189 W HA 0.289 4.948 4.660 -0.001 0.000 0.392 189 W C 2.262 178.816 176.519 0.058 0.000 1.121 189 W CA -0.045 57.316 57.345 0.027 0.000 1.909 189 W CB -1.276 28.152 29.460 -0.053 0.000 1.065 189 W HN 0.450 nan 8.180 nan 0.000 0.714 190 S N 0.301 116.173 115.700 0.287 0.000 2.370 190 S HA -0.268 4.201 4.470 -0.001 0.000 0.226 190 S C 1.981 176.742 174.600 0.269 0.000 1.033 190 S CA 1.216 59.628 58.200 0.353 0.000 1.011 190 S CB -0.402 63.016 63.200 0.362 0.000 0.852 190 S HN 0.328 nan 8.310 nan 0.000 0.457 191 R N 1.104 121.714 120.500 0.183 0.000 2.083 191 R HA -0.137 4.202 4.340 -0.001 0.000 0.237 191 R C 2.563 178.877 176.300 0.023 0.000 1.137 191 R CA 1.925 58.067 56.100 0.071 0.000 0.951 191 R CB -0.364 29.973 30.300 0.061 0.000 0.851 191 R HN 0.479 nan 8.270 nan 0.000 0.434 192 Q N 0.234 120.084 119.800 0.084 0.000 2.170 192 Q HA -0.103 4.236 4.340 -0.001 0.000 0.203 192 Q C 2.087 178.192 176.000 0.175 0.000 0.976 192 Q CA 1.332 57.182 55.803 0.078 0.000 0.858 192 Q CB -0.066 28.687 28.738 0.025 0.000 0.907 192 Q HN 0.362 nan 8.270 nan 0.000 0.433 193 L N -0.738 120.609 121.223 0.207 0.000 2.056 193 L HA -0.091 4.249 4.340 -0.001 0.000 0.207 193 L C 2.312 179.206 176.870 0.040 0.000 1.078 193 L CA 1.229 56.253 54.840 0.307 0.000 0.749 193 L CB -0.840 41.416 42.059 0.328 0.000 0.901 193 L HN 0.369 nan 8.230 nan 0.000 0.433 194 G N -0.617 107.932 108.800 -0.419 0.000 2.418 194 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.217 194 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.217 194 G C 1.445 176.225 174.900 -0.200 0.000 1.158 194 G CA 0.529 45.239 45.100 -0.651 0.000 0.771 194 G HN 0.380 nan 8.290 nan 0.000 0.545 195 E N 0.085 120.205 120.200 -0.133 0.000 2.077 195 E HA -0.055 4.294 4.350 -0.001 0.000 0.193 195 E C 2.772 179.310 176.600 -0.103 0.000 0.989 195 E CA 0.591 56.943 56.400 -0.079 0.000 0.800 195 E CB -0.321 29.322 29.700 -0.095 0.000 0.746 195 E HN 0.388 nan 8.360 nan 0.000 0.452 196 G N 1.201 109.883 108.800 -0.198 0.000 2.442 196 G HA2 -0.253 3.706 3.960 -0.001 0.000 0.219 196 G HA3 -0.253 3.706 3.960 -0.001 0.000 0.219 196 G C 1.485 176.100 174.900 -0.474 0.000 1.141 196 G CA 0.412 45.131 45.100 -0.634 0.000 0.763 196 G HN 0.091 nan 8.290 nan 0.000 0.554 197 L N -0.350 120.761 121.223 -0.186 0.000 2.056 197 L HA 0.206 4.545 4.340 -0.001 0.000 0.207 197 L C 2.582 179.337 176.870 -0.192 0.000 1.078 197 L CA 1.210 55.985 54.840 -0.107 0.000 0.749 197 L CB -0.859 41.225 42.059 0.041 0.000 0.901 197 L HN 0.251 nan 8.230 nan 0.000 0.433 198 F N -0.676 119.198 119.950 -0.127 0.000 2.146 198 F HA -0.143 4.383 4.527 -0.001 0.000 0.298 198 F C 2.460 178.184 175.800 -0.126 0.000 1.096 198 F CA 1.189 59.117 58.000 -0.119 0.000 1.275 198 F CB -0.858 38.035 39.000 -0.178 0.000 1.008 198 F HN 0.112 nan 8.300 nan 0.000 0.480 199 A N -0.007 122.812 122.820 -0.001 0.000 1.978 199 A HA -0.095 4.224 4.320 -0.001 0.000 0.220 199 A C 2.376 179.897 177.584 -0.105 0.000 1.170 199 A CA 1.736 53.726 52.037 -0.077 0.000 0.636 199 A CB -1.475 17.436 19.000 -0.147 0.000 0.810 199 A HN 0.397 nan 8.150 nan 0.000 0.448 200 G N -0.728 107.988 108.800 -0.141 0.000 2.985 200 G HA2 0.187 4.146 3.960 -0.001 0.000 0.209 200 G HA3 0.187 4.146 3.960 -0.001 0.000 0.209 200 G C 0.284 175.126 174.900 -0.097 0.000 1.165 200 G CA -0.272 44.751 45.100 -0.129 0.000 0.776 200 G HN 0.601 nan 8.290 nan 0.000 0.541 201 E N 0.210 120.363 120.200 -0.079 0.000 2.366 201 E HA 0.186 4.536 4.350 -0.001 0.000 0.266 201 E C 0.799 177.358 176.600 -0.069 0.000 1.015 201 E CA -0.245 56.115 56.400 -0.067 0.000 0.906 201 E CB 1.142 30.824 29.700 -0.031 0.000 0.979 201 E HN 0.188 nan 8.360 nan 0.000 0.443 202 L N 2.647 123.812 121.223 -0.096 0.000 2.416 202 L HA 0.096 4.435 4.340 -0.001 0.000 0.216 202 L C 0.783 177.613 176.870 -0.066 0.000 1.098 202 L CA 0.454 55.228 54.840 -0.109 0.000 0.840 202 L CB -0.144 41.787 42.059 -0.214 0.000 0.981 202 L HN 0.571 nan 8.230 nan 0.000 0.462 203 E N -1.122 119.049 120.200 -0.048 0.000 2.430 203 E HA 0.424 4.773 4.350 -0.001 0.000 0.279 203 E C -2.833 173.770 176.600 0.004 0.000 1.003 203 E CA -2.422 53.970 56.400 -0.014 0.000 0.801 203 E CB 1.149 30.843 29.700 -0.010 0.000 1.313 203 E HN -0.281 nan 8.360 nan 0.000 0.459 204 P HA 0.026 nan 4.420 nan 0.000 0.263 204 P C -0.540 176.787 177.300 0.046 0.000 1.195 204 P CA 0.383 63.516 63.100 0.055 0.000 0.762 204 P CB 0.317 32.062 31.700 0.074 0.000 0.799 205 M N 2.011 121.630 119.600 0.032 0.000 2.284 205 M HA 0.026 4.505 4.480 -0.001 0.000 0.351 205 M C 0.953 177.296 176.300 0.071 0.000 1.443 205 M CA 0.437 55.757 55.300 0.033 0.000 1.031 205 M CB -0.160 32.439 32.600 -0.001 0.000 1.893 205 M HN 0.382 nan 8.290 nan 0.000 0.456 206 S N 1.517 117.253 115.700 0.060 0.000 2.585 206 S HA 0.105 4.575 4.470 -0.001 0.000 0.273 206 S C 0.485 175.122 174.600 0.062 0.000 1.339 206 S CA -0.769 57.471 58.200 0.066 0.000 1.028 206 S CB 0.966 64.195 63.200 0.048 0.000 0.906 206 S HN 0.661 nan 8.310 nan 0.000 0.528 207 D N 1.919 122.377 120.400 0.096 0.000 2.149 207 D HA -0.053 4.587 4.640 -0.001 0.000 0.198 207 D C 2.202 178.450 176.300 -0.087 0.000 0.990 207 D CA 1.866 55.917 54.000 0.085 0.000 0.839 207 D CB -0.825 40.124 40.800 0.248 0.000 0.948 207 D HN 0.728 nan 8.370 nan 0.000 0.460 208 A N 0.729 123.516 122.820 -0.055 0.000 1.902 208 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 208 A C 2.170 179.647 177.584 -0.177 0.000 1.181 208 A CA 1.362 53.334 52.037 -0.109 0.000 0.623 208 A CB -0.390 18.579 19.000 -0.052 0.000 0.818 208 A HN 0.132 nan 8.150 nan 0.000 0.443 209 R N -0.757 119.667 120.500 -0.126 0.000 2.115 209 R HA 0.086 4.425 4.340 -0.001 0.000 0.226 209 R C 2.016 178.217 176.300 -0.164 0.000 1.100 209 R CA 1.030 57.031 56.100 -0.164 0.000 0.980 209 R CB -0.415 29.899 30.300 0.022 0.000 0.875 209 R HN 0.492 nan 8.270 nan 0.000 0.445 210 L N 0.591 121.734 121.223 -0.134 0.000 2.046 210 L HA -0.196 4.144 4.340 -0.001 0.000 0.208 210 L C 2.280 178.978 176.870 -0.286 0.000 1.077 210 L CA 1.242 55.976 54.840 -0.176 0.000 0.747 210 L CB -0.373 41.617 42.059 -0.115 0.000 0.896 210 L HN 0.197 nan 8.230 nan 0.000 0.432 211 L N -0.623 120.378 121.223 -0.370 0.000 2.046 211 L HA -0.192 4.147 4.340 -0.001 0.000 0.208 211 L C 2.883 179.554 176.870 -0.332 0.000 1.077 211 L CA 1.107 55.699 54.840 -0.414 0.000 0.747 211 L CB -0.726 41.072 42.059 -0.435 0.000 0.896 211 L HN 0.237 nan 8.230 nan 0.000 0.432 212 A N -0.167 122.445 122.820 -0.346 0.000 1.883 212 A HA -0.305 4.015 4.320 -0.001 0.000 0.217 212 A C 2.354 179.873 177.584 -0.109 0.000 1.186 212 A CA 2.209 54.024 52.037 -0.369 0.000 0.624 212 A CB -0.592 17.860 19.000 -0.914 0.000 0.822 212 A HN 0.453 nan 8.150 nan 0.000 0.444 213 M N -0.321 119.240 119.600 -0.065 0.000 2.117 213 M HA -0.094 4.385 4.480 -0.001 0.000 0.262 213 M C 2.082 178.378 176.300 -0.007 0.000 1.065 213 M CA 2.002 57.370 55.300 0.114 0.000 1.114 213 M CB -0.492 32.161 32.600 0.089 0.000 1.361 213 M HN 0.392 nan 8.290 nan 0.000 0.408 214 G N 0.121 108.826 108.800 -0.158 0.000 2.440 214 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.218 214 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.218 214 G C 1.566 176.304 174.900 -0.269 0.000 1.154 214 G CA 1.130 46.096 45.100 -0.224 0.000 0.767 214 G HN 0.506 nan 8.290 nan 0.000 0.552 215 R N -0.893 119.390 120.500 -0.363 0.000 2.073 215 R HA -0.080 4.259 4.340 -0.001 0.000 0.234 215 R C 2.358 178.113 176.300 -0.909 0.000 1.134 215 R CA 1.444 57.145 56.100 -0.666 0.000 0.952 215 R CB -0.460 29.404 30.300 -0.726 0.000 0.850 215 R HN 0.479 nan 8.270 nan 0.000 0.433 216 Y N -0.034 120.000 120.300 -0.443 0.000 2.224 216 Y HA -0.155 4.394 4.550 -0.001 0.000 0.289 216 Y C 2.410 178.282 175.900 -0.045 0.000 1.146 216 Y CA 1.183 59.187 58.100 -0.159 0.000 1.182 216 Y CB -0.269 38.258 38.460 0.112 0.000 0.983 216 Y HN 0.264 nan 8.280 nan 0.000 0.524 217 A N 0.221 123.086 122.820 0.075 0.000 1.908 217 A HA -0.283 4.036 4.320 -0.001 0.000 0.218 217 A C 2.143 179.740 177.584 0.021 0.000 1.181 217 A CA 2.131 54.200 52.037 0.054 0.000 0.627 217 A CB -0.629 18.366 19.000 -0.008 0.000 0.818 217 A HN 0.354 nan 8.150 nan 0.000 0.445 218 R N -0.925 119.525 120.500 -0.083 0.000 2.081 218 R HA -0.082 4.257 4.340 -0.001 0.000 0.235 218 R C 1.661 178.009 176.300 0.081 0.000 1.131 218 R CA 1.625 57.687 56.100 -0.062 0.000 0.960 218 R CB -0.945 29.257 30.300 -0.165 0.000 0.856 218 R HN 0.413 nan 8.270 nan 0.000 0.436 219 F N 0.570 120.513 119.950 -0.012 0.000 2.091 219 F HA -0.150 4.376 4.527 -0.001 0.000 0.299 219 F C 1.979 177.814 175.800 0.058 0.000 1.103 219 F CA 1.118 59.122 58.000 0.007 0.000 1.228 219 F CB -0.834 38.174 39.000 0.013 0.000 0.984 219 F HN 0.033 nan 8.300 nan 0.000 0.477 220 L N -1.077 120.325 121.223 0.299 0.000 2.492 220 L HA 0.023 4.363 4.340 -0.001 0.000 0.223 220 L C 2.356 179.319 176.870 0.155 0.000 1.132 220 L CA 0.606 55.583 54.840 0.227 0.000 0.850 220 L CB -0.678 41.522 42.059 0.234 0.000 0.966 220 L HN 0.073 nan 8.230 nan 0.000 0.454 221 A N 0.139 123.032 122.820 0.122 0.000 1.975 221 A HA 0.186 4.505 4.320 -0.001 0.000 0.215 221 A C 1.573 179.198 177.584 0.068 0.000 1.170 221 A CA 0.765 52.849 52.037 0.079 0.000 0.656 221 A CB -0.651 18.378 19.000 0.048 0.000 0.821 221 A HN 0.335 nan 8.150 nan 0.000 0.449 222 G N -0.122 108.729 108.800 0.084 0.000 2.653 222 G HA2 0.427 4.386 3.960 -0.001 0.000 0.265 222 G HA3 0.427 4.386 3.960 -0.001 0.000 0.265 222 G C -2.584 172.341 174.900 0.042 0.000 1.237 222 G CA -0.924 44.212 45.100 0.060 0.000 0.946 222 G HN 0.191 nan 8.290 nan 0.000 0.522 223 P HA 0.234 nan 4.420 nan 0.000 0.269 223 P C -0.595 176.705 177.300 0.000 0.000 1.252 223 P CA 0.063 63.165 63.100 0.004 0.000 0.780 223 P CB 0.474 32.172 31.700 -0.003 0.000 0.829 224 R N 5.036 125.533 120.500 -0.005 0.000 2.494 224 R HA 0.214 4.553 4.340 -0.001 0.000 0.284 224 R C -1.552 174.701 176.300 -0.079 0.000 1.525 224 R CA -1.347 54.742 56.100 -0.018 0.000 1.460 224 R CB 0.705 31.027 30.300 0.038 0.000 1.134 224 R HN 0.406 nan 8.270 nan 0.000 0.592 225 P HA -0.091 nan 4.420 nan 0.000 0.216 225 P C 0.746 177.883 177.300 -0.272 0.000 1.153 225 P CA 0.679 63.694 63.100 -0.142 0.000 0.848 225 P CB 0.237 31.880 31.700 -0.096 0.000 0.787 226 G N 0.849 109.296 108.800 -0.587 0.000 2.441 226 G HA2 0.182 4.141 3.960 -0.001 0.000 0.243 226 G HA3 0.182 4.141 3.960 -0.001 0.000 0.243 226 G C -0.370 174.055 174.900 -0.791 0.000 1.281 226 G CA -0.408 43.921 45.100 -1.284 0.000 0.854 226 G HN 0.251 nan 8.290 nan 0.000 0.560 227 R N 1.682 122.002 120.500 -0.300 0.000 2.387 227 R HA 0.409 4.749 4.340 -0.001 0.000 0.314 227 R C 0.198 176.759 176.300 0.436 0.000 0.958 227 R CA -0.485 55.726 56.100 0.185 0.000 0.846 227 R CB 1.149 31.528 30.300 0.131 0.000 1.147 227 R HN 0.536 nan 8.270 nan 0.000 0.447 228 S N 1.647 117.685 115.700 0.564 0.000 2.560 228 S HA -0.031 4.438 4.470 -0.001 0.000 0.284 228 S C 1.242 176.023 174.600 0.302 0.000 1.327 228 S CA 0.027 58.455 58.200 0.380 0.000 1.055 228 S CB 0.823 64.115 63.200 0.153 0.000 0.868 228 S HN 0.744 nan 8.310 nan 0.000 0.506 229 S N 3.811 119.636 115.700 0.207 0.000 2.561 229 S HA 0.246 4.715 4.470 -0.001 0.000 0.225 229 S C 0.785 175.467 174.600 0.137 0.000 0.977 229 S CA 0.102 58.396 58.200 0.156 0.000 0.926 229 S CB -0.424 62.840 63.200 0.107 0.000 0.769 229 S HN 0.985 nan 8.310 nan 0.000 0.533 230 A N 3.720 126.619 122.820 0.132 0.000 2.462 230 A HA 0.510 4.829 4.320 -0.001 0.000 0.243 230 A C -2.008 175.676 177.584 0.167 0.000 1.076 230 A CA -1.404 50.701 52.037 0.114 0.000 0.773 230 A CB -0.272 18.778 19.000 0.084 0.000 1.010 230 A HN 0.371 nan 8.150 nan 0.000 0.493 231 P HA 0.271 nan 4.420 nan 0.000 0.271 231 P C -0.788 176.711 177.300 0.331 0.000 1.216 231 P CA -0.026 63.232 63.100 0.264 0.000 0.776 231 P CB 0.878 32.682 31.700 0.172 0.000 0.881 232 V N 4.237 124.298 119.914 0.246 0.000 2.459 232 V HA 0.223 4.342 4.120 -0.001 0.000 0.295 232 V C 0.271 176.189 176.094 -0.293 0.000 1.029 232 V CA -0.773 61.503 62.300 -0.039 0.000 0.874 232 V CB 1.469 33.237 31.823 -0.093 0.000 0.985 232 V HN 0.412 nan 8.190 nan 0.000 0.438 233 L N 6.415 127.131 121.223 -0.846 0.000 2.257 233 L HA 0.580 4.919 4.340 -0.001 0.000 0.290 233 L C -0.661 175.885 176.870 -0.540 0.000 1.044 233 L CA -0.207 54.012 54.840 -1.034 0.000 0.810 233 L CB 1.169 42.191 42.059 -1.727 0.000 1.193 233 L HN 0.633 nan 8.230 nan 0.000 0.425 234 L N 7.013 128.030 121.223 -0.344 0.000 2.255 234 L HA 0.530 4.870 4.340 -0.001 0.000 0.289 234 L C -0.956 175.811 176.870 -0.171 0.000 1.046 234 L CA 0.009 54.717 54.840 -0.220 0.000 0.816 234 L CB 1.192 43.172 42.059 -0.131 0.000 1.197 234 L HN 0.410 nan 8.230 nan 0.000 0.427 235 V N 6.425 126.260 119.914 -0.131 0.000 2.370 235 V HA 0.563 4.682 4.120 -0.001 0.000 0.283 235 V C 0.162 176.244 176.094 -0.020 0.000 1.023 235 V CA -0.594 61.665 62.300 -0.069 0.000 0.857 235 V CB 1.232 33.030 31.823 -0.042 0.000 0.985 235 V HN 0.698 nan 8.190 nan 0.000 0.443 236 R N 3.079 123.572 120.500 -0.012 0.000 2.494 236 R HA 0.743 5.082 4.340 -0.001 0.000 0.305 236 R C -0.048 176.296 176.300 0.073 0.000 0.959 236 R CA -0.573 55.538 56.100 0.019 0.000 0.864 236 R CB 2.054 32.328 30.300 -0.042 0.000 1.159 236 R HN 0.807 nan 8.270 nan 0.000 0.446 237 A N 1.535 124.456 122.820 0.169 0.000 2.483 237 A HA 0.083 4.403 4.320 -0.001 0.000 0.238 237 A C 0.585 178.337 177.584 0.281 0.000 1.070 237 A CA 0.000 52.175 52.037 0.229 0.000 0.770 237 A CB 0.407 19.609 19.000 0.336 0.000 1.008 237 A HN 0.806 nan 8.150 nan 0.000 0.497 238 S N 0.351 116.191 115.700 0.232 0.000 2.517 238 S HA 0.091 4.560 4.470 -0.001 0.000 0.214 238 S C 0.272 175.121 174.600 0.415 0.000 0.991 238 S CA 0.122 58.477 58.200 0.258 0.000 0.906 238 S CB 0.086 63.346 63.200 0.098 0.000 0.789 238 S HN 0.739 nan 8.310 nan 0.000 0.513 239 E N 2.310 122.697 120.200 0.311 0.000 2.199 239 E HA 0.369 4.718 4.350 -0.001 0.000 0.269 239 E C -2.866 173.531 176.600 -0.338 0.000 0.899 239 E CA -2.886 53.557 56.400 0.072 0.000 0.772 239 E CB 1.178 30.870 29.700 -0.013 0.000 1.155 239 E HN 0.046 nan 8.360 nan 0.000 0.408 240 P HA 0.047 nan 4.420 nan 0.000 0.275 240 P C 0.766 177.411 177.300 -1.092 0.000 1.227 240 P CA -0.411 61.807 63.100 -1.469 0.000 0.781 240 P CB 1.037 31.987 31.700 -1.249 0.000 0.906 241 L N 2.434 122.693 121.223 -1.606 0.000 2.201 241 L HA 0.177 4.516 4.340 -0.001 0.000 0.212 241 L C 0.927 177.107 176.870 -1.151 0.000 1.105 241 L CA 1.996 56.126 54.840 -1.182 0.000 0.775 241 L CB -0.830 40.612 42.059 -1.028 0.000 0.913 241 L HN 0.654 nan 8.230 nan 0.000 0.440 242 G N -2.245 105.570 108.800 -1.642 0.000 2.682 242 G HA2 0.248 4.207 3.960 -0.001 0.000 0.303 242 G HA3 0.248 4.207 3.960 -0.001 0.000 0.303 242 G C -1.768 172.987 174.900 -0.242 0.000 1.341 242 G CA -0.414 44.208 45.100 -0.797 0.000 0.784 242 G HN -0.077 nan 8.290 nan 0.000 0.497 243 D N -0.436 120.004 120.400 0.068 0.000 2.414 243 D HA 0.356 4.995 4.640 -0.001 0.000 0.242 243 D C -0.667 175.964 176.300 0.553 0.000 1.129 243 D CA 0.278 54.416 54.000 0.230 0.000 0.885 243 D CB 0.604 41.490 40.800 0.143 0.000 1.198 243 D HN 0.387 nan 8.370 nan 0.000 0.437 244 W N 4.950 126.380 121.300 0.217 0.000 3.132 244 W HA 0.193 4.853 4.660 -0.002 0.000 0.337 244 W C -1.381 175.224 176.519 0.144 0.000 1.082 244 W CA -0.624 56.850 57.345 0.214 0.000 1.242 244 W CB 1.105 30.738 29.460 0.288 0.000 1.354 244 W HN 0.320 nan 8.180 nan 0.000 0.461 245 Q N 3.770 123.358 119.800 -0.352 0.000 2.296 245 Q HA -0.040 4.300 4.340 -0.001 0.000 0.263 245 Q C 1.201 176.990 176.000 -0.352 0.000 1.026 245 Q CA 0.473 56.105 55.803 -0.286 0.000 0.912 245 Q CB 1.680 30.259 28.738 -0.265 0.000 1.198 245 Q HN 0.651 nan 8.270 nan 0.000 0.407 246 E N 2.351 122.538 120.200 -0.022 0.000 2.171 246 E HA -0.243 4.106 4.350 -0.001 0.000 0.197 246 E C 1.032 177.672 176.600 0.066 0.000 0.997 246 E CA 1.412 57.892 56.400 0.133 0.000 0.810 246 E CB 0.405 30.193 29.700 0.148 0.000 0.738 246 E HN 0.578 nan 8.360 nan 0.000 0.467 247 E N 0.075 120.255 120.200 -0.033 0.000 2.482 247 E HA -0.143 4.206 4.350 -0.001 0.000 0.196 247 E C 1.599 178.162 176.600 -0.062 0.000 1.047 247 E CA 0.364 56.747 56.400 -0.028 0.000 0.869 247 E CB -0.210 29.469 29.700 -0.036 0.000 0.836 247 E HN 0.289 nan 8.360 nan 0.000 0.520 248 R N 0.999 121.389 120.500 -0.182 0.000 2.193 248 R HA 0.027 4.366 4.340 -0.001 0.000 0.229 248 R C 1.110 177.469 176.300 0.098 0.000 1.110 248 R CA 0.841 56.820 56.100 -0.202 0.000 0.988 248 R CB -0.129 29.719 30.300 -0.753 0.000 0.871 248 R HN 0.338 nan 8.270 nan 0.000 0.458 249 G N 0.628 109.563 108.800 0.226 0.000 2.384 249 G HA2 -0.212 3.747 3.960 -0.001 0.000 0.204 249 G HA3 -0.212 3.747 3.960 -0.001 0.000 0.204 249 G C -1.564 173.633 174.900 0.495 0.000 1.237 249 G CA -0.424 44.855 45.100 0.298 0.000 1.060 249 G HN 0.185 nan 8.290 nan 0.000 0.514 250 D N 1.105 121.668 120.400 0.272 0.000 2.312 250 D HA 0.337 4.976 4.640 -0.001 0.000 0.252 250 D C 1.633 177.931 176.300 -0.005 0.000 1.150 250 D CA -0.193 53.844 54.000 0.062 0.000 0.870 250 D CB 0.261 40.995 40.800 -0.111 0.000 1.153 250 D HN 0.577 nan 8.370 nan 0.000 0.457 251 W N 3.856 124.956 121.300 -0.333 0.000 3.003 251 W HA 0.150 4.809 4.660 -0.001 0.000 0.257 251 W C 0.256 176.690 176.519 -0.142 0.000 1.308 251 W CA -0.602 56.217 57.345 -0.877 0.000 1.529 251 W CB -0.320 28.184 29.460 -1.592 0.000 1.115 251 W HN 0.093 nan 8.180 nan 0.000 0.659 252 R N 1.521 121.697 120.500 -0.539 0.000 2.734 252 R HA 0.299 4.638 4.340 -0.001 0.000 0.266 252 R C 0.718 176.994 176.300 -0.040 0.000 1.044 252 R CA 0.109 55.959 56.100 -0.417 0.000 1.128 252 R CB 0.456 30.354 30.300 -0.670 0.000 1.010 252 R HN -0.038 nan 8.270 nan 0.000 0.461 253 A N 2.069 124.781 122.820 -0.180 0.000 2.507 253 A HA -0.002 4.317 4.320 -0.001 0.000 0.235 253 A C -0.295 177.181 177.584 -0.180 0.000 1.070 253 A CA 0.359 52.077 52.037 -0.532 0.000 0.768 253 A CB 0.167 18.947 19.000 -0.368 0.000 1.011 253 A HN 0.792 nan 8.150 nan 0.000 0.502 254 H N 0.966 119.908 119.070 -0.213 0.000 2.806 254 H HA 0.467 5.022 4.556 -0.001 0.000 0.367 254 H C -1.864 173.519 175.328 0.091 0.000 1.136 254 H CA -0.503 55.476 56.048 -0.114 0.000 1.178 254 H CB 1.376 30.985 29.762 -0.255 0.000 1.718 254 H HN 0.816 nan 8.280 nan 0.000 0.540 255 W N 4.206 124.971 121.300 -0.891 0.000 3.138 255 W HA 0.135 4.794 4.660 -0.001 0.000 0.331 255 W C -1.230 174.794 176.519 -0.824 0.000 1.166 255 W CA -0.581 56.346 57.345 -0.697 0.000 1.212 255 W CB 2.129 31.386 29.460 -0.338 0.000 1.399 255 W HN 0.659 nan 8.180 nan 0.000 0.514 256 D N 3.934 123.761 120.400 -0.953 0.000 2.358 256 D HA 0.236 4.875 4.640 -0.001 0.000 0.258 256 D C 0.695 176.873 176.300 -0.204 0.000 1.223 256 D CA 0.677 54.391 54.000 -0.476 0.000 0.886 256 D CB 0.331 40.869 40.800 -0.437 0.000 1.120 256 D HN 0.431 nan 8.370 nan 0.000 0.482 257 L N 2.907 124.077 121.223 -0.089 0.000 3.533 257 L HA -0.183 4.156 4.340 -0.001 0.000 0.477 257 L C -1.794 175.127 176.870 0.086 0.000 1.306 257 L CA -0.420 54.422 54.840 0.003 0.000 0.850 257 L CB -1.568 40.497 42.059 0.010 0.000 1.654 257 L HN 0.501 nan 8.230 nan 0.000 0.863 258 P HA -0.016 nan 4.420 nan 0.000 0.272 258 P C 0.867 178.240 177.300 0.122 0.000 1.223 258 P CA -0.017 63.156 63.100 0.122 0.000 0.784 258 P CB 0.619 32.342 31.700 0.038 0.000 0.923 259 H N 1.338 120.465 119.070 0.094 0.000 2.353 259 H HA -0.010 4.545 4.556 -0.001 0.000 0.300 259 H C -0.275 175.135 175.328 0.136 0.000 1.090 259 H CA 1.366 57.512 56.048 0.163 0.000 1.327 259 H CB 0.348 30.308 29.762 0.331 0.000 1.383 259 H HN 0.347 nan 8.280 nan 0.000 0.508 260 T N 0.916 115.591 114.554 0.201 0.000 2.923 260 T HA 0.440 4.789 4.350 -0.001 0.000 0.311 260 T C -1.201 173.456 174.700 -0.070 0.000 1.183 260 T CA -0.639 61.514 62.100 0.090 0.000 1.020 260 T CB 2.829 71.847 68.868 0.249 0.000 1.165 260 T HN -0.047 nan 8.240 nan 0.000 0.482 261 V N 1.741 121.624 119.914 -0.051 0.000 2.540 261 V HA 0.860 4.980 4.120 -0.001 0.000 0.302 261 V C -0.195 175.864 176.094 -0.059 0.000 1.035 261 V CA -0.799 61.455 62.300 -0.076 0.000 0.873 261 V CB 1.458 33.246 31.823 -0.059 0.000 0.992 261 V HN 1.126 nan 8.190 nan 0.000 0.428 262 A N 3.386 126.162 122.820 -0.073 0.000 2.355 262 A HA 0.792 5.112 4.320 -0.001 0.000 0.317 262 A C -0.912 176.652 177.584 -0.035 0.000 1.094 262 A CA -0.674 51.339 52.037 -0.041 0.000 0.764 262 A CB 0.942 19.921 19.000 -0.036 0.000 1.230 262 A HN 0.745 nan 8.150 nan 0.000 0.448 263 D N 1.310 121.697 120.400 -0.021 0.000 2.163 263 D HA 0.511 5.150 4.640 -0.001 0.000 0.248 263 D C -0.107 176.188 176.300 -0.007 0.000 1.035 263 D CA 0.072 54.064 54.000 -0.015 0.000 0.872 263 D CB 2.084 42.874 40.800 -0.017 0.000 1.183 263 D HN 0.579 nan 8.370 nan 0.000 0.445 264 V N -0.919 118.993 119.914 -0.004 0.000 3.102 264 V HA 0.688 4.807 4.120 -0.001 0.000 0.312 264 V C -2.921 173.135 176.094 -0.064 0.000 1.135 264 V CA -2.560 59.727 62.300 -0.022 0.000 1.022 264 V CB 1.976 33.796 31.823 -0.005 0.000 1.056 264 V HN 0.221 nan 8.190 nan 0.000 0.436 265 P HA 0.569 nan 4.420 nan 0.000 0.272 265 P C 0.318 177.369 177.300 -0.415 0.000 1.240 265 P CA 1.609 64.483 63.100 -0.377 0.000 0.791 265 P CB 0.547 31.823 31.700 -0.706 0.000 0.978 266 G N 0.754 109.375 108.800 -0.298 0.000 2.661 266 G HA2 0.092 4.051 3.960 -0.001 0.000 0.685 266 G HA3 0.092 4.051 3.960 -0.001 0.000 0.685 266 G C -1.127 173.808 174.900 0.058 0.000 1.298 266 G CA -0.273 44.811 45.100 -0.028 0.000 0.855 266 G HN 0.722 nan 8.290 nan 0.000 0.560 267 D N -2.045 118.407 120.400 0.086 0.000 2.564 267 D HA 0.531 5.171 4.640 -0.001 0.000 0.273 267 D C 1.319 177.707 176.300 0.145 0.000 1.192 267 D CA 0.079 54.124 54.000 0.076 0.000 1.080 267 D CB 0.141 40.914 40.800 -0.045 0.000 1.160 267 D HN 0.675 nan 8.370 nan 0.000 0.607 268 H N -1.155 117.926 119.070 0.019 0.000 2.357 268 H HA -0.172 4.383 4.556 -0.001 0.000 0.296 268 H C 1.294 176.621 175.328 -0.002 0.000 1.108 268 H CA 2.067 58.114 56.048 -0.003 0.000 1.273 268 H CB -0.172 29.460 29.762 -0.217 0.000 1.367 268 H HN 0.413 nan 8.280 nan 0.000 0.498 269 F N -1.150 118.904 119.950 0.173 0.000 2.243 269 F HA -0.035 4.492 4.527 -0.001 0.000 0.287 269 F C 2.883 178.707 175.800 0.039 0.000 1.067 269 F CA 0.974 59.033 58.000 0.099 0.000 1.304 269 F CB -0.472 38.586 39.000 0.097 0.000 1.087 269 F HN 0.258 nan 8.300 nan 0.000 0.513 270 T N -0.708 113.994 114.554 0.248 0.000 2.962 270 T HA -0.201 4.148 4.350 -0.001 0.000 0.270 270 T C 1.846 176.666 174.700 0.200 0.000 1.088 270 T CA 1.101 63.310 62.100 0.180 0.000 1.127 270 T CB -0.720 68.255 68.868 0.179 0.000 0.883 270 T HN 0.425 nan 8.240 nan 0.000 0.493 271 M N -0.188 119.504 119.600 0.153 0.000 2.144 271 M HA -0.038 4.441 4.480 -0.001 0.000 0.260 271 M C 2.143 178.464 176.300 0.036 0.000 1.067 271 M CA 1.798 57.166 55.300 0.114 0.000 1.095 271 M CB -0.763 31.870 32.600 0.054 0.000 1.365 271 M HN 0.112 nan 8.290 nan 0.000 0.406 272 M N -0.255 119.298 119.600 -0.078 0.000 2.429 272 M HA 0.090 4.569 4.480 -0.001 0.000 0.265 272 M C 2.361 178.629 176.300 -0.054 0.000 1.120 272 M CA 1.134 56.355 55.300 -0.132 0.000 1.173 272 M CB -0.832 31.566 32.600 -0.337 0.000 1.343 272 M HN 0.433 nan 8.290 nan 0.000 0.464 273 R N 0.591 121.083 120.500 -0.013 0.000 2.066 273 R HA -0.148 4.191 4.340 -0.001 0.000 0.232 273 R C 0.810 177.067 176.300 -0.073 0.000 1.131 273 R CA 1.693 57.780 56.100 -0.022 0.000 0.955 273 R CB 0.188 30.495 30.300 0.012 0.000 0.851 273 R HN 0.275 nan 8.270 nan 0.000 0.432 274 D N -1.937 118.394 120.400 -0.116 0.000 2.423 274 D HA 0.057 4.697 4.640 -0.001 0.000 0.208 274 D C 0.320 176.288 176.300 -0.554 0.000 1.068 274 D CA 0.547 54.343 54.000 -0.339 0.000 0.860 274 D CB 0.483 41.020 40.800 -0.439 0.000 0.992 274 D HN 0.343 nan 8.370 nan 0.000 0.504 275 H N -0.293 118.762 119.070 -0.025 0.000 2.665 275 H HA 0.454 5.009 4.556 -0.001 0.000 0.248 275 H C 1.261 176.563 175.328 -0.043 0.000 1.175 275 H CA -0.085 55.947 56.048 -0.027 0.000 0.952 275 H CB 0.800 30.555 29.762 -0.011 0.000 1.883 275 H HN -0.003 nan 8.280 nan 0.000 0.623 276 A N 2.142 124.960 122.820 -0.003 0.000 1.940 276 A HA -0.075 4.244 4.320 -0.001 0.000 0.219 276 A C -0.318 177.228 177.584 -0.063 0.000 1.176 276 A CA 1.060 53.077 52.037 -0.033 0.000 0.631 276 A CB -1.020 17.946 19.000 -0.057 0.000 0.814 276 A HN 0.240 nan 8.150 nan 0.000 0.446 277 P HA -0.162 nan 4.420 nan 0.000 0.216 277 P C 1.694 178.959 177.300 -0.059 0.000 1.150 277 P CA 1.936 64.982 63.100 -0.091 0.000 0.843 277 P CB -0.083 31.579 31.700 -0.062 0.000 0.787 278 A N -0.835 121.985 122.820 0.001 0.000 1.930 278 A HA -0.129 4.190 4.320 -0.001 0.000 0.217 278 A C 2.289 179.876 177.584 0.005 0.000 1.175 278 A CA 1.586 53.631 52.037 0.014 0.000 0.627 278 A CB -1.613 17.413 19.000 0.043 0.000 0.815 278 A HN 0.019 nan 8.150 nan 0.000 0.443 279 V N -0.002 119.917 119.914 0.007 0.000 2.295 279 V HA -0.257 3.862 4.120 -0.001 0.000 0.246 279 V C 3.072 179.184 176.094 0.029 0.000 1.049 279 V CA 1.973 64.287 62.300 0.024 0.000 1.024 279 V CB -1.363 30.480 31.823 0.034 0.000 0.648 279 V HN 0.600 nan 8.190 nan 0.000 0.447 280 A N -0.259 122.512 122.820 -0.082 0.000 1.908 280 A HA -0.311 4.008 4.320 -0.001 0.000 0.218 280 A C 2.307 179.837 177.584 -0.089 0.000 1.181 280 A CA 2.178 54.057 52.037 -0.264 0.000 0.627 280 A CB -0.603 17.936 19.000 -0.768 0.000 0.818 280 A HN 0.665 nan 8.150 nan 0.000 0.445 281 E N -0.075 120.085 120.200 -0.067 0.000 2.058 281 E HA -0.171 4.178 4.350 -0.001 0.000 0.194 281 E C 2.119 178.757 176.600 0.062 0.000 0.997 281 E CA 1.245 57.643 56.400 -0.003 0.000 0.801 281 E CB -0.301 29.394 29.700 -0.009 0.000 0.746 281 E HN 0.531 nan 8.360 nan 0.000 0.450 282 A N 0.557 123.416 122.820 0.066 0.000 1.902 282 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 282 A C 2.417 180.100 177.584 0.165 0.000 1.181 282 A CA 1.506 53.597 52.037 0.091 0.000 0.623 282 A CB -0.642 18.384 19.000 0.044 0.000 0.818 282 A HN 0.238 nan 8.150 nan 0.000 0.443 283 V N 0.143 120.180 119.914 0.205 0.000 2.295 283 V HA -0.251 3.868 4.120 -0.001 0.000 0.246 283 V C 2.576 178.883 176.094 0.355 0.000 1.049 283 V CA 1.933 64.427 62.300 0.323 0.000 1.024 283 V CB -0.789 31.287 31.823 0.422 0.000 0.648 283 V HN 0.568 nan 8.190 nan 0.000 0.447 284 L N -0.190 121.215 121.223 0.302 0.000 2.017 284 L HA -0.174 4.165 4.340 -0.001 0.000 0.208 284 L C 2.665 179.635 176.870 0.167 0.000 1.073 284 L CA 1.782 56.762 54.840 0.234 0.000 0.745 284 L CB -0.729 41.436 42.059 0.177 0.000 0.894 284 L HN 0.312 nan 8.230 nan 0.000 0.432 285 S N -0.960 114.837 115.700 0.161 0.000 2.370 285 S HA -0.257 4.212 4.470 -0.001 0.000 0.226 285 S C 1.516 176.225 174.600 0.181 0.000 1.033 285 S CA 1.697 59.982 58.200 0.141 0.000 1.011 285 S CB -0.487 62.792 63.200 0.131 0.000 0.852 285 S HN 0.574 nan 8.310 nan 0.000 0.457 286 W N 2.173 123.498 121.300 0.042 0.000 2.388 286 W HA 0.066 4.725 4.660 -0.001 0.000 0.294 286 W C 1.632 178.150 176.519 -0.002 0.000 1.212 286 W CA 0.730 58.092 57.345 0.028 0.000 1.271 286 W CB -0.426 29.051 29.460 0.028 0.000 1.126 286 W HN 0.170 nan 8.180 nan 0.000 0.535 287 L N 0.346 121.569 121.223 -0.000 0.000 2.083 287 L HA -0.214 4.125 4.340 -0.001 0.000 0.209 287 L C 2.172 178.923 176.870 -0.199 0.000 1.083 287 L CA 1.591 56.305 54.840 -0.211 0.000 0.752 287 L CB -0.869 41.170 42.059 -0.033 0.000 0.899 287 L HN -0.107 nan 8.230 nan 0.000 0.433 288 D N 0.245 120.598 120.400 -0.079 0.000 2.117 288 D HA -0.145 4.494 4.640 -0.001 0.000 0.197 288 D C 2.226 178.468 176.300 -0.095 0.000 0.987 288 D CA 1.493 55.455 54.000 -0.063 0.000 0.829 288 D CB -0.005 40.790 40.800 -0.007 0.000 0.961 288 D HN 0.295 nan 8.370 nan 0.000 0.460 289 A N 1.074 123.834 122.820 -0.101 0.000 1.930 289 A HA -0.109 4.210 4.320 -0.001 0.000 0.217 289 A C 2.280 179.751 177.584 -0.187 0.000 1.175 289 A CA 1.209 53.189 52.037 -0.094 0.000 0.627 289 A CB -0.744 18.251 19.000 -0.009 0.000 0.815 289 A HN 0.434 nan 8.150 nan 0.000 0.443 290 I N -4.015 116.318 120.570 -0.396 0.000 3.059 290 I HA 0.073 4.242 4.170 -0.001 0.000 0.270 290 I C 1.711 177.649 176.117 -0.297 0.000 1.238 290 I CA 1.371 62.398 61.300 -0.456 0.000 1.478 290 I CB -0.127 37.354 38.000 -0.865 0.000 1.097 290 I HN 0.210 nan 8.210 nan 0.000 0.455 291 E N 1.615 121.672 120.200 -0.239 0.000 2.190 291 E HA 0.220 4.569 4.350 -0.001 0.000 0.191 291 E C 1.149 177.685 176.600 -0.107 0.000 0.978 291 E CA 0.566 56.868 56.400 -0.163 0.000 0.839 291 E CB 0.342 29.956 29.700 -0.143 0.000 0.787 291 E HN 0.666 nan 8.360 nan 0.000 0.473 292 G N 0.000 108.746 108.800 -0.091 0.000 5.446 292 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 292 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 292 G CA 0.000 45.065 45.100 -0.058 0.000 0.502 292 G HN 0.000 nan 8.290 nan 0.000 0.925