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 2axt_1_c DATA FIRST_RESID 5027 DATA SEQUENCE DQESSGFAWW AGNARLINLS GKLLGAHVAH AGLIVFWAGA MTLFELAHFI DATA SEQUENCE PEKPMYEQGL ILIPHIATLG WGVGPGGEVV DTFPFFVVGV VHLISSAVLG DATA SEQUENCE FGGVYHAIRG PETLEEYSSF FGYDWKDKNK MTTILGFHLI VLGIGALLLV DATA SEQUENCE AKAMFFGGLY DTWAPGGGDV RVITNPTLDP RVIFGYLLKS PFGGEGWIVS DATA SEQUENCE VNNLEDVVGG HIWIGLICIA GGIWHILTTP FGWARRAFIW SGEAYLSYSL DATA SEQUENCE GALSMMGFIA TCFVWFNNTV YPSEFYGPTG PEASQAQAMT FLIRDQKLGA DATA SEQUENCE NVGSAQGPTG LGKYLMRSPT GEIIFGGETM RFWDFRGPWL EPLRGPNGLD DATA SEQUENCE LNKIKNDIQP WQERRAAEYM THAPLGSLNS VGGVATEINS VNFVSPRSWL DATA SEQUENCE ATSHFVLAFF FLVGHLWHAG RARAAAAGFE KGIDRESEPV LSMPSLD 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 5027 D HA 0.000 nan 4.640 nan 0.000 0.175 5027 D C 0.000 176.309 176.300 0.016 0.000 2.045 5027 D CA 0.000 54.007 54.000 0.011 0.000 0.868 5027 D CB 0.000 40.809 40.800 0.016 0.000 0.688 5028 Q N -0.074 119.731 119.800 0.008 0.000 2.528 5028 Q HA 0.575 4.920 4.340 0.008 0.000 0.289 5028 Q C 0.474 176.478 176.000 0.006 0.000 1.091 5028 Q CA 0.139 55.949 55.803 0.012 0.000 0.797 5028 Q CB 1.362 30.102 28.738 0.004 0.000 1.466 5028 Q HN 0.576 nan 8.270 nan 0.000 0.436 5029 E N -0.068 120.142 120.200 0.016 0.000 2.021 5029 E HA -0.120 4.235 4.350 0.008 0.000 0.189 5029 E C 1.844 178.437 176.600 -0.012 0.000 0.980 5029 E CA 2.344 58.749 56.400 0.008 0.000 0.803 5029 E CB -0.212 29.511 29.700 0.037 0.000 0.766 5029 E HN 0.838 nan 8.360 nan 0.000 0.449 5030 S N -0.524 115.175 115.700 -0.002 0.000 2.571 5030 S HA -0.123 4.352 4.470 0.008 0.000 0.245 5030 S C 1.540 176.123 174.600 -0.029 0.000 0.976 5030 S CA 1.216 59.410 58.200 -0.010 0.000 0.954 5030 S CB -0.606 62.594 63.200 -0.001 0.000 0.756 5030 S HN 0.414 nan 8.310 nan 0.000 0.535 5031 S N -0.923 114.752 115.700 -0.041 0.000 2.930 5031 S HA 0.486 4.961 4.470 0.008 0.000 0.253 5031 S C 1.540 176.078 174.600 -0.103 0.000 1.083 5031 S CA 0.083 58.248 58.200 -0.059 0.000 0.836 5031 S CB -0.626 62.550 63.200 -0.040 0.000 0.814 5031 S HN 0.532 nan 8.310 nan 0.000 0.467 5032 G N 0.938 109.677 108.800 -0.102 0.000 2.756 5032 G HA2 0.525 4.490 3.960 0.008 0.000 0.203 5032 G HA3 0.525 4.490 3.960 0.008 0.000 0.203 5032 G C 0.393 175.102 174.900 -0.318 0.000 2.015 5032 G CA 0.126 45.123 45.100 -0.171 0.000 0.835 5032 G HN 0.306 nan 8.290 nan 0.000 0.648 5033 F N 0.317 120.200 119.950 -0.112 0.000 2.123 5033 F HA 0.735 5.267 4.527 0.009 0.000 0.207 5033 F C 0.733 176.379 175.800 -0.257 0.000 1.198 5033 F CA 0.473 58.365 58.000 -0.180 0.000 1.265 5033 F CB 0.312 39.174 39.000 -0.231 0.000 1.722 5033 F HN 0.458 nan 8.300 nan 0.000 0.351 5034 A N -0.593 122.129 122.820 -0.164 0.000 2.604 5034 A HA 0.360 4.685 4.320 0.008 0.000 0.295 5034 A C 0.051 177.290 177.584 -0.575 0.000 1.067 5034 A CA -0.380 51.371 52.037 -0.477 0.000 0.683 5034 A CB -0.203 18.170 19.000 -1.046 0.000 1.281 5034 A HN 0.714 nan 8.150 nan 0.000 0.407 5035 W N 1.677 122.747 121.300 -0.384 0.000 2.318 5035 W HA -0.188 4.478 4.660 0.010 0.000 0.313 5035 W C 1.363 177.787 176.519 -0.159 0.000 1.221 5035 W CA 2.309 59.540 57.345 -0.190 0.000 1.266 5035 W CB -0.734 28.704 29.460 -0.037 0.000 1.150 5035 W HN 0.883 nan 8.180 nan 0.000 0.496 5036 W N 0.226 120.387 121.300 -1.898 0.000 2.961 5036 W HA 0.445 5.110 4.660 0.009 0.000 0.240 5036 W C 1.217 177.305 176.519 -0.718 0.000 1.305 5036 W CA 0.646 56.971 57.345 -1.699 0.000 1.465 5036 W CB -1.422 27.055 29.460 -1.638 0.000 1.135 5036 W HN 0.065 nan 8.180 nan 0.000 0.688 5037 A N 0.842 123.195 122.820 -0.778 0.000 2.508 5037 A HA 0.445 4.770 4.320 0.008 0.000 0.257 5037 A C 1.999 179.357 177.584 -0.376 0.000 1.226 5037 A CA 0.384 52.089 52.037 -0.554 0.000 0.947 5037 A CB -0.769 17.706 19.000 -0.875 0.000 1.079 5037 A HN 0.228 nan 8.150 nan 0.000 0.531 5038 G N 2.102 110.739 108.800 -0.271 0.000 2.808 5038 G HA2 -0.421 3.544 3.960 0.008 0.000 0.225 5038 G HA3 -0.421 3.544 3.960 0.008 0.000 0.225 5038 G C 1.166 176.036 174.900 -0.050 0.000 1.210 5038 G CA 1.385 46.427 45.100 -0.097 0.000 0.777 5038 G HN 0.573 nan 8.290 nan 0.000 0.640 5039 N N 1.491 120.154 118.700 -0.062 0.000 2.659 5039 N HA -0.066 4.679 4.740 0.008 0.000 0.194 5039 N C 1.968 177.459 175.510 -0.031 0.000 1.140 5039 N CA 1.029 54.060 53.050 -0.032 0.000 0.936 5039 N CB -0.249 38.212 38.487 -0.043 0.000 0.970 5039 N HN 0.472 nan 8.380 nan 0.000 0.449 5040 A N 0.563 123.329 122.820 -0.090 0.000 2.147 5040 A HA 0.086 4.411 4.320 0.008 0.000 0.211 5040 A C 2.067 179.822 177.584 0.284 0.000 1.160 5040 A CA 0.036 52.030 52.037 -0.070 0.000 0.781 5040 A CB 0.002 18.587 19.000 -0.691 0.000 0.842 5040 A HN 0.120 nan 8.150 nan 0.000 0.475 5041 R N -0.504 120.154 120.500 0.263 0.000 2.328 5041 R HA 0.072 4.417 4.340 0.008 0.000 0.207 5041 R C 0.573 176.958 176.300 0.140 0.000 1.056 5041 R CA 0.704 56.941 56.100 0.229 0.000 1.016 5041 R CB -0.249 30.132 30.300 0.134 0.000 0.872 5041 R HN 0.464 nan 8.270 nan 0.000 0.471 5042 L N -0.292 121.012 121.223 0.135 0.000 2.693 5042 L HA 0.169 4.514 4.340 0.008 0.000 0.235 5042 L C 1.510 178.489 176.870 0.182 0.000 1.127 5042 L CA -0.121 54.795 54.840 0.126 0.000 0.914 5042 L CB 0.194 42.319 42.059 0.110 0.000 1.193 5042 L HN 0.088 nan 8.230 nan 0.000 0.502 5043 I N 0.478 121.172 120.570 0.206 0.000 2.399 5043 I HA -0.258 3.917 4.170 0.008 0.000 0.254 5043 I C 0.464 176.825 176.117 0.407 0.000 1.146 5043 I CA 1.333 62.798 61.300 0.276 0.000 1.412 5043 I CB -0.060 38.061 38.000 0.202 0.000 1.076 5043 I HN 0.407 nan 8.210 nan 0.000 0.432 5044 N N 0.993 119.838 118.700 0.243 0.000 2.765 5044 N HA 0.426 5.171 4.740 0.008 0.000 0.277 5044 N C -0.740 174.801 175.510 0.051 0.000 1.750 5044 N CA 0.029 53.178 53.050 0.164 0.000 0.827 5044 N CB 1.434 40.000 38.487 0.131 0.000 1.200 5044 N HN 0.141 nan 8.380 nan 0.000 0.494 5045 L N 0.714 121.953 121.223 0.027 0.000 2.512 5045 L HA 0.022 4.367 4.340 0.008 0.000 0.291 5045 L C 1.543 178.379 176.870 -0.057 0.000 1.360 5045 L CA -0.041 54.784 54.840 -0.026 0.000 0.655 5045 L CB 0.334 42.400 42.059 0.011 0.000 0.968 5045 L HN 0.142 nan 8.230 nan 0.000 0.517 5046 S N -0.543 115.049 115.700 -0.180 0.000 2.408 5046 S HA -0.286 4.189 4.470 0.008 0.000 0.241 5046 S C 1.995 176.515 174.600 -0.133 0.000 1.080 5046 S CA 2.090 60.136 58.200 -0.257 0.000 1.109 5046 S CB -0.714 61.959 63.200 -0.878 0.000 0.966 5046 S HN 0.631 nan 8.310 nan 0.000 0.449 5047 G N 2.708 111.427 108.800 -0.135 0.000 2.529 5047 G HA2 -0.249 3.716 3.960 0.008 0.000 0.219 5047 G HA3 -0.249 3.716 3.960 0.008 0.000 0.219 5047 G C 1.566 176.439 174.900 -0.045 0.000 1.177 5047 G CA 1.186 46.238 45.100 -0.080 0.000 0.773 5047 G HN 0.532 nan 8.290 nan 0.000 0.573 5048 K N -0.060 120.327 120.400 -0.022 0.000 2.031 5048 K HA 0.068 4.393 4.320 0.008 0.000 0.205 5048 K C 2.315 178.945 176.600 0.051 0.000 1.049 5048 K CA 0.404 56.695 56.287 0.007 0.000 0.939 5048 K CB -0.893 31.614 32.500 0.011 0.000 0.717 5048 K HN 0.308 nan 8.250 nan 0.000 0.438 5049 L N 1.756 123.025 121.223 0.076 0.000 2.447 5049 L HA -0.118 4.227 4.340 0.008 0.000 0.225 5049 L C 1.871 178.844 176.870 0.172 0.000 1.148 5049 L CA 1.039 55.980 54.840 0.169 0.000 0.808 5049 L CB -0.520 41.662 42.059 0.204 0.000 0.928 5049 L HN 0.073 nan 8.230 nan 0.000 0.448 5050 L N -1.205 120.050 121.223 0.053 0.000 2.145 5050 L HA 0.263 4.608 4.340 0.008 0.000 0.201 5050 L C 2.332 179.233 176.870 0.051 0.000 1.075 5050 L CA 1.631 56.468 54.840 -0.005 0.000 0.773 5050 L CB -1.145 40.794 42.059 -0.200 0.000 0.936 5050 L HN 0.164 nan 8.230 nan 0.000 0.451 5051 G N -0.640 108.183 108.800 0.039 0.000 2.422 5051 G HA2 -0.256 3.709 3.960 0.008 0.000 0.218 5051 G HA3 -0.256 3.709 3.960 0.008 0.000 0.218 5051 G C 1.570 176.538 174.900 0.114 0.000 1.146 5051 G CA 0.853 46.014 45.100 0.101 0.000 0.769 5051 G HN 0.609 nan 8.290 nan 0.000 0.547 5052 A N 0.779 123.676 122.820 0.127 0.000 1.851 5052 A HA -0.101 4.224 4.320 0.008 0.000 0.216 5052 A C 2.147 179.786 177.584 0.091 0.000 1.195 5052 A CA 2.066 54.167 52.037 0.108 0.000 0.622 5052 A CB -0.841 18.234 19.000 0.124 0.000 0.831 5052 A HN 0.434 nan 8.150 nan 0.000 0.444 5053 H N -0.907 118.196 119.070 0.055 0.000 2.387 5053 H HA -0.057 4.503 4.556 0.008 0.000 0.299 5053 H C 2.086 177.466 175.328 0.086 0.000 1.090 5053 H CA 1.616 57.690 56.048 0.042 0.000 1.332 5053 H CB -0.291 29.483 29.762 0.020 0.000 1.386 5053 H HN 0.238 nan 8.280 nan 0.000 0.516 5054 V N 0.437 120.469 119.914 0.197 0.000 2.244 5054 V HA -0.240 3.885 4.120 0.008 0.000 0.244 5054 V C 2.618 178.807 176.094 0.159 0.000 1.042 5054 V CA 1.588 63.990 62.300 0.170 0.000 1.006 5054 V CB -1.141 30.787 31.823 0.174 0.000 0.641 5054 V HN 0.579 nan 8.190 nan 0.000 0.446 5055 A N -0.235 122.668 122.820 0.139 0.000 1.884 5055 A HA -0.366 3.959 4.320 0.008 0.000 0.219 5055 A C 2.278 179.926 177.584 0.108 0.000 1.197 5055 A CA 2.527 54.627 52.037 0.104 0.000 0.637 5055 A CB -1.053 17.992 19.000 0.074 0.000 0.827 5055 A HN 0.729 nan 8.150 nan 0.000 0.450 5056 H N 0.246 119.329 119.070 0.022 0.000 2.290 5056 H HA -0.058 4.502 4.556 0.008 0.000 0.298 5056 H C 2.109 177.463 175.328 0.042 0.000 1.087 5056 H CA 1.957 58.009 56.048 0.008 0.000 1.291 5056 H CB -0.615 29.116 29.762 -0.053 0.000 1.369 5056 H HN 0.385 nan 8.280 nan 0.000 0.492 5057 A N 0.016 123.049 122.820 0.356 0.000 2.272 5057 A HA -0.045 4.280 4.320 0.008 0.000 0.213 5057 A C 2.439 180.133 177.584 0.183 0.000 1.183 5057 A CA 1.220 53.421 52.037 0.274 0.000 0.719 5057 A CB -0.969 18.143 19.000 0.187 0.000 0.771 5057 A HN 0.625 nan 8.150 nan 0.000 0.484 5058 G N -1.192 107.694 108.800 0.143 0.000 2.709 5058 G HA2 0.164 4.129 3.960 0.008 0.000 0.208 5058 G HA3 0.164 4.129 3.960 0.008 0.000 0.208 5058 G C 1.314 176.304 174.900 0.151 0.000 1.129 5058 G CA 0.317 45.497 45.100 0.133 0.000 0.793 5058 G HN 0.385 nan 8.290 nan 0.000 0.524 5059 L N 0.482 121.741 121.223 0.061 0.000 2.141 5059 L HA 0.075 4.420 4.340 0.008 0.000 0.209 5059 L C 2.677 179.660 176.870 0.187 0.000 1.094 5059 L CA 0.656 55.544 54.840 0.081 0.000 0.763 5059 L CB -0.220 41.754 42.059 -0.143 0.000 0.908 5059 L HN 0.180 nan 8.230 nan 0.000 0.437 5060 I N -1.232 119.412 120.570 0.124 0.000 2.202 5060 I HA -0.237 3.938 4.170 0.008 0.000 0.242 5060 I C 2.368 178.671 176.117 0.309 0.000 1.091 5060 I CA 0.950 62.373 61.300 0.204 0.000 1.368 5060 I CB -0.248 37.865 38.000 0.189 0.000 1.058 5060 I HN 0.006 nan 8.210 nan 0.000 0.410 5061 V N 0.792 120.870 119.914 0.273 0.000 2.270 5061 V HA -0.294 3.831 4.120 0.008 0.000 0.245 5061 V C 2.313 178.567 176.094 0.268 0.000 1.043 5061 V CA 1.823 64.297 62.300 0.291 0.000 1.014 5061 V CB -0.821 31.123 31.823 0.202 0.000 0.645 5061 V HN 0.337 nan 8.190 nan 0.000 0.447 5062 F N 0.260 120.288 119.950 0.129 0.000 2.063 5062 F HA -0.316 4.216 4.527 0.008 0.000 0.298 5062 F C 2.158 178.010 175.800 0.086 0.000 1.105 5062 F CA 2.212 60.266 58.000 0.090 0.000 1.215 5062 F CB -0.742 38.304 39.000 0.077 0.000 0.972 5062 F HN 0.314 nan 8.300 nan 0.000 0.483 5063 W N 1.038 122.261 121.300 -0.128 0.000 2.329 5063 W HA -0.196 4.470 4.660 0.010 0.000 0.324 5063 W C 2.582 178.968 176.519 -0.222 0.000 1.222 5063 W CA 3.069 60.274 57.345 -0.233 0.000 1.270 5063 W CB -1.201 28.214 29.460 -0.075 0.000 1.167 5063 W HN 0.183 nan 8.180 nan 0.000 0.467 5064 A N 0.784 123.569 122.820 -0.059 0.000 1.929 5064 A HA -0.247 4.078 4.320 0.008 0.000 0.221 5064 A C 2.198 179.455 177.584 -0.545 0.000 1.211 5064 A CA 2.936 54.765 52.037 -0.347 0.000 0.657 5064 A CB -1.781 17.163 19.000 -0.093 0.000 0.827 5064 A HN 0.527 nan 8.150 nan 0.000 0.462 5065 G N -1.284 107.306 108.800 -0.349 0.000 2.424 5065 G HA2 0.087 4.052 3.960 0.008 0.000 0.214 5065 G HA3 0.087 4.052 3.960 0.008 0.000 0.214 5065 G C 1.825 176.469 174.900 -0.426 0.000 1.202 5065 G CA 1.470 46.377 45.100 -0.322 0.000 0.793 5065 G HN 0.964 nan 8.290 nan 0.000 0.534 5066 A N 0.169 122.638 122.820 -0.585 0.000 1.948 5066 A HA -0.097 4.228 4.320 0.008 0.000 0.220 5066 A C 2.351 179.655 177.584 -0.467 0.000 1.177 5066 A CA 2.427 54.113 52.037 -0.586 0.000 0.636 5066 A CB -0.366 18.053 19.000 -0.968 0.000 0.815 5066 A HN 0.422 nan 8.150 nan 0.000 0.449 5067 M N -0.771 118.427 119.600 -0.669 0.000 2.236 5067 M HA -0.036 4.449 4.480 0.008 0.000 0.266 5067 M C 1.967 178.033 176.300 -0.391 0.000 1.070 5067 M CA 2.161 57.102 55.300 -0.598 0.000 1.137 5067 M CB -0.591 31.307 32.600 -1.170 0.000 1.378 5067 M HN 0.306 nan 8.290 nan 0.000 0.426 5068 T N 0.914 115.198 114.554 -0.451 0.000 2.803 5068 T HA -0.099 4.256 4.350 0.008 0.000 0.269 5068 T C 1.676 176.259 174.700 -0.194 0.000 1.052 5068 T CA 1.517 63.420 62.100 -0.328 0.000 1.136 5068 T CB -0.364 68.300 68.868 -0.340 0.000 0.864 5068 T HN 0.384 nan 8.240 nan 0.000 0.467 5069 L N -0.514 120.623 121.223 -0.143 0.000 2.179 5069 L HA 0.093 4.437 4.340 0.008 0.000 0.208 5069 L C 2.215 179.096 176.870 0.018 0.000 1.096 5069 L CA 0.815 55.647 54.840 -0.014 0.000 0.779 5069 L CB -0.516 41.553 42.059 0.018 0.000 0.922 5069 L HN 0.192 nan 8.230 nan 0.000 0.443 5070 F N 1.405 121.244 119.950 -0.185 0.000 2.134 5070 F HA -0.174 4.357 4.527 0.008 0.000 0.299 5070 F C 2.368 177.990 175.800 -0.296 0.000 1.097 5070 F CA 1.422 59.285 58.000 -0.230 0.000 1.264 5070 F CB -0.117 38.703 39.000 -0.300 0.000 1.001 5070 F HN 0.072 nan 8.300 nan 0.000 0.479 5071 E N 0.141 120.180 120.200 -0.268 0.000 2.001 5071 E HA -0.263 4.092 4.350 0.008 0.000 0.195 5071 E C 2.160 178.671 176.600 -0.148 0.000 1.002 5071 E CA 1.504 57.731 56.400 -0.288 0.000 0.819 5071 E CB -0.962 28.606 29.700 -0.221 0.000 0.769 5071 E HN 0.360 nan 8.360 nan 0.000 0.454 5072 L N 1.447 122.616 121.223 -0.090 0.000 2.064 5072 L HA -0.241 4.104 4.340 0.008 0.000 0.216 5072 L C 2.237 179.172 176.870 0.108 0.000 1.077 5072 L CA 2.265 57.121 54.840 0.027 0.000 0.766 5072 L CB -0.686 41.399 42.059 0.043 0.000 0.890 5072 L HN 0.123 nan 8.230 nan 0.000 0.435 5073 A N -2.234 120.643 122.820 0.095 0.000 2.125 5073 A HA -0.196 4.129 4.320 0.008 0.000 0.219 5073 A C 1.729 179.399 177.584 0.143 0.000 1.156 5073 A CA 1.875 53.998 52.037 0.144 0.000 0.671 5073 A CB -0.772 18.347 19.000 0.197 0.000 0.794 5073 A HN 0.735 nan 8.150 nan 0.000 0.459 5074 H N -2.976 115.992 119.070 -0.170 0.000 2.695 5074 H HA 0.250 4.811 4.556 0.009 0.000 0.267 5074 H C 0.292 175.550 175.328 -0.118 0.000 0.973 5074 H CA -0.890 55.046 56.048 -0.188 0.000 1.223 5074 H CB -0.331 29.233 29.762 -0.330 0.000 1.442 5074 H HN 0.432 nan 8.280 nan 0.000 0.478 5075 F N 2.602 122.527 119.950 -0.041 0.000 2.623 5075 F HA 0.005 4.537 4.527 0.008 0.000 0.386 5075 F C -0.116 175.654 175.800 -0.050 0.000 1.068 5075 F CA 0.185 58.140 58.000 -0.075 0.000 1.265 5075 F CB 0.159 39.086 39.000 -0.122 0.000 1.026 5075 F HN -0.015 nan 8.300 nan 0.000 0.568 5076 I N 9.852 129.762 120.570 -1.100 0.000 2.359 5076 I HA 0.172 4.347 4.170 0.008 0.000 0.284 5076 I C -1.275 174.232 176.117 -1.017 0.000 1.018 5076 I CA -1.878 58.976 61.300 -0.743 0.000 1.173 5076 I CB 1.352 39.101 38.000 -0.419 0.000 1.326 5076 I HN 0.527 nan 8.210 nan 0.000 0.462 5077 P HA -0.267 nan 4.420 nan 0.000 0.229 5077 P C 0.247 177.541 177.300 -0.011 0.000 1.147 5077 P CA 1.755 64.901 63.100 0.078 0.000 0.949 5077 P CB 0.252 32.020 31.700 0.113 0.000 0.786 5078 E N 0.146 120.276 120.200 -0.117 0.000 2.795 5078 E HA 0.371 4.726 4.350 0.008 0.000 0.226 5078 E C -0.121 176.400 176.600 -0.132 0.000 1.088 5078 E CA -0.272 56.083 56.400 -0.076 0.000 0.812 5078 E CB 1.028 30.716 29.700 -0.018 0.000 1.328 5078 E HN 0.273 nan 8.360 nan 0.000 0.410 5079 K N 1.883 122.167 120.400 -0.192 0.000 2.575 5079 K HA 0.325 4.649 4.320 0.008 0.000 0.255 5079 K C -2.999 173.451 176.600 -0.250 0.000 0.953 5079 K CA -1.696 54.468 56.287 -0.204 0.000 0.840 5079 K CB 1.771 34.136 32.500 -0.225 0.000 1.303 5079 K HN -0.059 nan 8.250 nan 0.000 0.438 5080 P HA -0.105 nan 4.420 nan 0.000 0.263 5080 P C 0.496 177.531 177.300 -0.441 0.000 1.162 5080 P CA 0.554 63.307 63.100 -0.578 0.000 0.758 5080 P CB 0.434 31.448 31.700 -1.144 0.000 0.773 5081 M N 3.088 122.536 119.600 -0.254 0.000 2.067 5081 M HA -0.204 4.281 4.480 0.008 0.000 0.260 5081 M C 1.806 178.115 176.300 0.014 0.000 1.069 5081 M CA 1.979 57.273 55.300 -0.011 0.000 1.117 5081 M CB -0.761 31.895 32.600 0.093 0.000 1.334 5081 M HN 0.492 nan 8.290 nan 0.000 0.407 5082 Y N -0.092 120.298 120.300 0.150 0.000 2.298 5082 Y HA -0.165 4.390 4.550 0.009 0.000 0.287 5082 Y C 1.410 177.539 175.900 0.382 0.000 1.164 5082 Y CA 1.050 59.299 58.100 0.249 0.000 1.229 5082 Y CB -1.505 37.113 38.460 0.263 0.000 0.977 5082 Y HN 0.303 nan 8.280 nan 0.000 0.538 5083 E N 0.255 120.603 120.200 0.245 0.000 2.494 5083 E HA -0.016 4.339 4.350 0.008 0.000 0.193 5083 E C 0.611 177.344 176.600 0.222 0.000 1.074 5083 E CA 0.192 56.795 56.400 0.338 0.000 0.867 5083 E CB -0.028 29.711 29.700 0.065 0.000 0.924 5083 E HN 0.715 nan 8.360 nan 0.000 0.502 5084 Q N -0.767 119.130 119.800 0.162 0.000 2.110 5084 Q HA 0.175 4.519 4.340 0.008 0.000 0.232 5084 Q C 0.487 176.551 176.000 0.106 0.000 0.810 5084 Q CA 0.035 55.894 55.803 0.093 0.000 1.083 5084 Q CB 1.545 30.278 28.738 -0.008 0.000 1.193 5084 Q HN 0.297 nan 8.270 nan 0.000 0.471 5085 G N 1.399 110.302 108.800 0.172 0.000 2.258 5085 G HA2 -0.255 3.710 3.960 0.008 0.000 0.274 5085 G HA3 -0.255 3.710 3.960 0.008 0.000 0.274 5085 G C -0.069 174.877 174.900 0.077 0.000 1.021 5085 G CA 0.122 45.298 45.100 0.127 0.000 0.798 5085 G HN 0.185 nan 8.290 nan 0.000 0.507 5086 L N -0.020 121.260 121.223 0.095 0.000 2.350 5086 L HA 0.644 4.989 4.340 0.008 0.000 0.275 5086 L C 1.646 178.573 176.870 0.095 0.000 1.099 5086 L CA -0.127 54.738 54.840 0.041 0.000 0.808 5086 L CB 1.176 43.235 42.059 -0.000 0.000 1.149 5086 L HN 0.425 nan 8.230 nan 0.000 0.442 5087 I N -1.724 118.903 120.570 0.095 0.000 4.916 5087 I HA 0.136 4.311 4.170 0.008 0.000 0.335 5087 I C 0.929 177.201 176.117 0.259 0.000 1.274 5087 I CA 0.150 61.597 61.300 0.245 0.000 1.365 5087 I CB 0.440 38.626 38.000 0.310 0.000 1.395 5087 I HN 0.401 nan 8.210 nan 0.000 0.485 5088 L N 1.097 122.346 121.223 0.043 0.000 2.189 5088 L HA 0.221 4.566 4.340 0.008 0.000 0.199 5088 L C 2.542 179.362 176.870 -0.083 0.000 1.074 5088 L CA 0.879 55.687 54.840 -0.053 0.000 0.783 5088 L CB -0.215 41.700 42.059 -0.241 0.000 0.955 5088 L HN 0.128 nan 8.230 nan 0.000 0.460 5089 I N 0.572 120.982 120.570 -0.267 0.000 2.194 5089 I HA -0.244 3.931 4.170 0.008 0.000 0.246 5089 I C -0.414 175.468 176.117 -0.392 0.000 1.093 5089 I CA 1.676 62.646 61.300 -0.550 0.000 1.355 5089 I CB -1.380 36.058 38.000 -0.937 0.000 1.046 5089 I HN 0.189 nan 8.210 nan 0.000 0.413 5090 P HA -0.180 nan 4.420 nan 0.000 0.216 5090 P C 1.264 178.485 177.300 -0.131 0.000 1.150 5090 P CA 1.656 64.557 63.100 -0.332 0.000 0.843 5090 P CB -0.067 31.301 31.700 -0.554 0.000 0.787 5091 H N -1.335 117.730 119.070 -0.010 0.000 2.357 5091 H HA -0.020 4.541 4.556 0.008 0.000 0.301 5091 H C 1.902 177.289 175.328 0.099 0.000 1.082 5091 H CA 1.246 57.358 56.048 0.107 0.000 1.342 5091 H CB -0.877 28.960 29.762 0.124 0.000 1.389 5091 H HN 0.095 nan 8.280 nan 0.000 0.511 5092 I N -0.094 120.613 120.570 0.229 0.000 2.252 5092 I HA -0.231 3.944 4.170 0.008 0.000 0.245 5092 I C 2.630 178.941 176.117 0.323 0.000 1.102 5092 I CA 0.942 62.443 61.300 0.335 0.000 1.385 5092 I CB -0.433 37.789 38.000 0.371 0.000 1.064 5092 I HN 0.275 nan 8.210 nan 0.000 0.414 5093 A N 1.455 124.349 122.820 0.123 0.000 1.877 5093 A HA -0.244 4.081 4.320 0.008 0.000 0.216 5093 A C 2.499 180.046 177.584 -0.061 0.000 1.186 5093 A CA 2.637 54.598 52.037 -0.127 0.000 0.620 5093 A CB -1.383 17.111 19.000 -0.843 0.000 0.822 5093 A HN 0.533 nan 8.150 nan 0.000 0.443 5094 T N -1.203 113.368 114.554 0.029 0.000 2.822 5094 T HA -0.118 4.237 4.350 0.008 0.000 0.270 5094 T C 1.547 176.349 174.700 0.169 0.000 1.064 5094 T CA 1.591 63.836 62.100 0.242 0.000 1.131 5094 T CB -0.627 68.362 68.868 0.202 0.000 0.858 5094 T HN 0.311 nan 8.240 nan 0.000 0.483 5095 L N 0.801 122.077 121.223 0.088 0.000 2.610 5095 L HA 0.288 4.632 4.340 0.008 0.000 0.232 5095 L C 1.662 178.412 176.870 -0.201 0.000 1.149 5095 L CA 0.452 55.256 54.840 -0.060 0.000 0.872 5095 L CB -0.735 41.278 42.059 -0.077 0.000 0.992 5095 L HN 0.657 nan 8.230 nan 0.000 0.447 5096 G N -0.927 107.849 108.800 -0.041 0.000 2.414 5096 G HA2 -0.223 3.742 3.960 0.008 0.000 0.256 5096 G HA3 -0.223 3.742 3.960 0.008 0.000 0.256 5096 G C -0.679 174.126 174.900 -0.159 0.000 1.128 5096 G CA -0.710 44.350 45.100 -0.068 0.000 0.944 5096 G HN 0.188 nan 8.290 nan 0.000 0.500 5097 W N 0.189 121.481 121.300 -0.014 0.000 2.453 5097 W HA 0.553 5.218 4.660 0.008 0.000 0.310 5097 W C 0.862 177.198 176.519 -0.304 0.000 1.000 5097 W CA -0.505 56.763 57.345 -0.128 0.000 1.367 5097 W CB 1.104 30.481 29.460 -0.138 0.000 1.269 5097 W HN 1.556 nan 8.180 nan 0.000 0.418 5098 G N 1.621 110.424 108.800 0.005 0.000 2.248 5098 G HA2 -0.190 3.775 3.960 0.008 0.000 0.263 5098 G HA3 -0.190 3.775 3.960 0.008 0.000 0.263 5098 G C 0.220 175.106 174.900 -0.024 0.000 1.082 5098 G CA 0.456 45.471 45.100 -0.141 0.000 0.863 5098 G HN 0.774 nan 8.290 nan 0.000 0.495 5099 V N -3.436 116.519 119.914 0.068 0.000 3.134 5099 V HA 0.845 4.970 4.120 0.008 0.000 0.222 5099 V C 2.107 178.314 176.094 0.190 0.000 1.247 5099 V CA 1.265 63.649 62.300 0.140 0.000 1.281 5099 V CB -0.332 31.614 31.823 0.206 0.000 1.169 5099 V HN 2.341 nan 8.190 nan 0.000 0.512 5100 G N 1.177 110.087 108.800 0.184 0.000 2.698 5100 G HA2 -0.144 3.821 3.960 0.008 0.000 0.233 5100 G HA3 -0.144 3.821 3.960 0.008 0.000 0.233 5100 G C -2.760 172.259 174.900 0.198 0.000 1.352 5100 G CA -0.248 44.941 45.100 0.148 0.000 0.879 5100 G HN 0.658 nan 8.290 nan 0.000 0.567 5101 P HA 0.319 nan 4.420 nan 0.000 0.265 5101 P C 1.077 178.497 177.300 0.200 0.000 1.187 5101 P CA 2.048 65.217 63.100 0.114 0.000 0.766 5101 P CB 0.340 32.071 31.700 0.051 0.000 0.820 5102 G N 2.773 111.710 108.800 0.228 0.000 2.244 5102 G HA2 -0.181 3.784 3.960 0.008 0.000 0.274 5102 G HA3 -0.181 3.784 3.960 0.008 0.000 0.274 5102 G C 0.790 175.906 174.900 0.361 0.000 1.002 5102 G CA 0.653 45.919 45.100 0.278 0.000 0.740 5102 G HN 1.087 nan 8.290 nan 0.000 0.516 5103 G N -2.144 107.004 108.800 0.581 0.000 2.324 5103 G HA2 0.255 4.220 3.960 0.008 0.000 0.292 5103 G HA3 0.255 4.220 3.960 0.008 0.000 0.292 5103 G C 0.520 175.660 174.900 0.400 0.000 1.079 5103 G CA 1.389 46.886 45.100 0.661 0.000 1.026 5103 G HN 2.037 nan 8.290 nan 0.000 0.506 5104 E N -0.798 119.574 120.200 0.286 0.000 2.511 5104 E HA 0.451 4.806 4.350 0.008 0.000 0.196 5104 E C 1.595 178.307 176.600 0.187 0.000 1.066 5104 E CA 0.776 57.295 56.400 0.198 0.000 0.871 5104 E CB -0.261 29.529 29.700 0.148 0.000 0.863 5104 E HN 1.994 nan 8.360 nan 0.000 0.520 5105 V N 0.012 120.043 119.914 0.195 0.000 5.953 5105 V HA -0.242 3.883 4.120 0.008 0.000 0.213 5105 V C 1.587 177.776 176.094 0.157 0.000 0.673 5105 V CA 0.734 63.153 62.300 0.197 0.000 0.618 5105 V CB -2.569 29.458 31.823 0.341 0.000 0.533 5105 V HN 0.448 nan 8.190 nan 0.000 0.447 5106 V N -0.056 119.921 119.914 0.106 0.000 2.649 5106 V HA 0.093 4.218 4.120 0.008 0.000 0.248 5106 V C 0.979 177.106 176.094 0.055 0.000 1.054 5106 V CA 2.118 64.466 62.300 0.079 0.000 1.073 5106 V CB 0.199 32.062 31.823 0.067 0.000 0.699 5106 V HN 0.959 nan 8.190 nan 0.000 0.463 5107 D N -1.540 118.871 120.400 0.018 0.000 2.890 5107 D HA 0.126 4.771 4.640 0.008 0.000 0.233 5107 D C 0.545 176.788 176.300 -0.095 0.000 1.306 5107 D CA 0.096 54.094 54.000 -0.004 0.000 0.929 5107 D CB 2.472 43.271 40.800 -0.000 0.000 1.512 5107 D HN -0.038 nan 8.370 nan 0.000 0.568 5108 T N 2.774 117.334 114.554 0.010 0.000 2.942 5108 T HA -0.098 4.257 4.350 0.008 0.000 0.265 5108 T C 1.773 176.450 174.700 -0.038 0.000 1.062 5108 T CA 0.753 62.873 62.100 0.034 0.000 1.139 5108 T CB -0.348 68.631 68.868 0.184 0.000 0.883 5108 T HN 0.415 nan 8.240 nan 0.000 0.468 5109 F N 2.837 122.715 119.950 -0.119 0.000 2.063 5109 F HA -0.083 4.449 4.527 0.009 0.000 0.298 5109 F C -0.955 174.742 175.800 -0.173 0.000 1.105 5109 F CA 1.712 59.675 58.000 -0.062 0.000 1.215 5109 F CB -1.412 37.559 39.000 -0.048 0.000 0.972 5109 F HN 0.268 nan 8.300 nan 0.000 0.483 5110 P HA -0.234 nan 4.420 nan 0.000 0.217 5110 P C 1.680 178.627 177.300 -0.588 0.000 1.151 5110 P CA 1.991 64.719 63.100 -0.621 0.000 0.849 5110 P CB -0.328 30.951 31.700 -0.702 0.000 0.787 5111 F N -2.425 117.364 119.950 -0.269 0.000 2.031 5111 F HA -0.172 4.360 4.527 0.009 0.000 0.295 5111 F C 2.299 177.951 175.800 -0.246 0.000 1.133 5111 F CA 0.474 58.318 58.000 -0.259 0.000 1.188 5111 F CB -1.191 37.671 39.000 -0.229 0.000 0.974 5111 F HN -0.141 nan 8.300 nan 0.000 0.473 5112 F N 1.345 121.203 119.950 -0.153 0.000 2.063 5112 F HA -0.264 4.268 4.527 0.008 0.000 0.298 5112 F C 2.246 177.824 175.800 -0.369 0.000 1.109 5112 F CA 1.290 59.150 58.000 -0.233 0.000 1.212 5112 F CB -1.004 37.855 39.000 -0.236 0.000 0.973 5112 F HN -0.236 nan 8.300 nan 0.000 0.480 5113 V N -0.099 119.397 119.914 -0.696 0.000 2.220 5113 V HA -0.390 3.735 4.120 0.008 0.000 0.250 5113 V C 2.481 178.257 176.094 -0.531 0.000 1.056 5113 V CA 2.117 63.959 62.300 -0.764 0.000 1.016 5113 V CB -1.117 30.241 31.823 -0.775 0.000 0.639 5113 V HN 0.310 nan 8.190 nan 0.000 0.446 5114 V N 0.487 120.135 119.914 -0.443 0.000 2.287 5114 V HA -0.217 3.907 4.120 0.008 0.000 0.248 5114 V C 2.609 178.560 176.094 -0.239 0.000 1.053 5114 V CA 2.272 64.388 62.300 -0.308 0.000 1.027 5114 V CB -1.515 30.125 31.823 -0.304 0.000 0.646 5114 V HN 0.656 nan 8.190 nan 0.000 0.447 5115 G N -0.555 108.066 108.800 -0.299 0.000 2.514 5115 G HA2 -0.289 3.676 3.960 0.008 0.000 0.217 5115 G HA3 -0.289 3.676 3.960 0.008 0.000 0.217 5115 G C 1.823 176.565 174.900 -0.264 0.000 1.198 5115 G CA 1.388 46.310 45.100 -0.297 0.000 0.780 5115 G HN 0.390 nan 8.290 nan 0.000 0.565 5116 V N 0.388 120.071 119.914 -0.385 0.000 2.295 5116 V HA -0.170 3.955 4.120 0.008 0.000 0.246 5116 V C 3.014 178.993 176.094 -0.192 0.000 1.049 5116 V CA 2.168 64.266 62.300 -0.337 0.000 1.024 5116 V CB -0.443 31.042 31.823 -0.563 0.000 0.648 5116 V HN 0.213 nan 8.190 nan 0.000 0.447 5117 V N 0.394 120.190 119.914 -0.196 0.000 2.250 5117 V HA -0.409 3.716 4.120 0.008 0.000 0.253 5117 V C 2.311 178.363 176.094 -0.070 0.000 1.065 5117 V CA 2.913 65.137 62.300 -0.127 0.000 1.039 5117 V CB -1.196 30.551 31.823 -0.127 0.000 0.647 5117 V HN 0.750 nan 8.190 nan 0.000 0.446 5118 H N -1.055 117.935 119.070 -0.133 0.000 2.290 5118 H HA -0.168 4.393 4.556 0.008 0.000 0.298 5118 H C 1.912 177.216 175.328 -0.040 0.000 1.087 5118 H CA 1.965 57.968 56.048 -0.076 0.000 1.291 5118 H CB -0.594 29.109 29.762 -0.098 0.000 1.369 5118 H HN 0.292 nan 8.280 nan 0.000 0.492 5119 L N 0.352 121.607 121.223 0.052 0.000 2.270 5119 L HA -0.172 4.173 4.340 0.008 0.000 0.217 5119 L C 1.721 178.647 176.870 0.094 0.000 1.107 5119 L CA 1.460 56.329 54.840 0.048 0.000 0.772 5119 L CB -0.450 41.584 42.059 -0.041 0.000 0.902 5119 L HN 0.341 nan 8.230 nan 0.000 0.439 5120 I N -2.281 118.308 120.570 0.031 0.000 2.512 5120 I HA -0.127 4.048 4.170 0.008 0.000 0.247 5120 I C 2.084 178.218 176.117 0.027 0.000 1.094 5120 I CA 0.786 62.098 61.300 0.020 0.000 1.427 5120 I CB -0.352 37.632 38.000 -0.027 0.000 1.149 5120 I HN 0.014 nan 8.210 nan 0.000 0.438 5121 S N 1.006 116.706 115.700 0.000 0.000 2.528 5121 S HA -0.149 4.326 4.470 0.008 0.000 0.244 5121 S C 2.068 176.699 174.600 0.052 0.000 0.982 5121 S CA 1.436 59.635 58.200 -0.003 0.000 0.953 5121 S CB -0.435 62.723 63.200 -0.069 0.000 0.754 5121 S HN 0.617 nan 8.310 nan 0.000 0.529 5122 S N 1.957 117.717 115.700 0.100 0.000 2.395 5122 S HA 0.141 4.616 4.470 0.008 0.000 0.225 5122 S C 2.063 176.731 174.600 0.114 0.000 1.027 5122 S CA 0.539 58.830 58.200 0.152 0.000 0.965 5122 S CB -0.490 62.882 63.200 0.286 0.000 0.812 5122 S HN 0.485 nan 8.310 nan 0.000 0.482 5123 A N 1.885 124.763 122.820 0.097 0.000 1.902 5123 A HA 0.068 4.393 4.320 0.008 0.000 0.217 5123 A C 2.367 180.016 177.584 0.109 0.000 1.181 5123 A CA 1.719 53.804 52.037 0.081 0.000 0.623 5123 A CB -1.222 17.808 19.000 0.049 0.000 0.818 5123 A HN 0.435 nan 8.150 nan 0.000 0.443 5124 V N 0.301 120.263 119.914 0.079 0.000 2.214 5124 V HA -0.301 3.824 4.120 0.008 0.000 0.245 5124 V C 2.565 178.762 176.094 0.171 0.000 1.047 5124 V CA 2.141 64.497 62.300 0.093 0.000 0.998 5124 V CB -1.069 30.784 31.823 0.050 0.000 0.633 5124 V HN 0.593 nan 8.190 nan 0.000 0.446 5125 L N 0.530 121.836 121.223 0.137 0.000 2.051 5125 L HA -0.197 4.148 4.340 0.008 0.000 0.214 5125 L C 2.664 179.633 176.870 0.166 0.000 1.076 5125 L CA 1.938 56.870 54.840 0.153 0.000 0.758 5125 L CB -1.356 40.780 42.059 0.128 0.000 0.890 5125 L HN 0.547 nan 8.230 nan 0.000 0.433 5126 G N -0.518 108.368 108.800 0.144 0.000 2.440 5126 G HA2 -0.335 3.630 3.960 0.008 0.000 0.218 5126 G HA3 -0.335 3.630 3.960 0.008 0.000 0.218 5126 G C 1.472 176.464 174.900 0.152 0.000 1.154 5126 G CA 0.709 45.877 45.100 0.114 0.000 0.767 5126 G HN 0.292 nan 8.290 nan 0.000 0.552 5127 F N 2.314 122.297 119.950 0.055 0.000 2.171 5127 F HA 0.041 4.572 4.527 0.008 0.000 0.300 5127 F C 2.584 178.462 175.800 0.130 0.000 1.090 5127 F CA 1.503 59.542 58.000 0.065 0.000 1.293 5127 F CB -0.373 38.646 39.000 0.032 0.000 1.013 5127 F HN 0.125 nan 8.300 nan 0.000 0.486 5128 G N -0.519 108.441 108.800 0.268 0.000 2.404 5128 G HA2 -0.167 3.798 3.960 0.008 0.000 0.215 5128 G HA3 -0.167 3.798 3.960 0.008 0.000 0.215 5128 G C 1.933 176.983 174.900 0.250 0.000 1.174 5128 G CA 0.693 45.968 45.100 0.292 0.000 0.780 5128 G HN 0.598 nan 8.290 nan 0.000 0.537 5129 G N 0.714 109.620 108.800 0.175 0.000 2.552 5129 G HA2 -0.219 3.746 3.960 0.008 0.000 0.216 5129 G HA3 -0.219 3.746 3.960 0.008 0.000 0.216 5129 G C 1.815 176.747 174.900 0.053 0.000 1.240 5129 G CA 1.746 46.922 45.100 0.126 0.000 0.796 5129 G HN 0.313 nan 8.290 nan 0.000 0.568 5130 V N 0.448 120.365 119.914 0.005 0.000 2.277 5130 V HA -0.319 3.806 4.120 0.008 0.000 0.253 5130 V C 2.336 178.372 176.094 -0.097 0.000 1.067 5130 V CA 2.371 64.640 62.300 -0.052 0.000 1.047 5130 V CB -0.868 30.908 31.823 -0.079 0.000 0.649 5130 V HN 0.539 nan 8.190 nan 0.000 0.447 5131 Y N 0.601 120.758 120.300 -0.238 0.000 2.070 5131 Y HA -0.239 4.316 4.550 0.008 0.000 0.279 5131 Y C 2.697 178.509 175.900 -0.147 0.000 1.134 5131 Y CA 2.074 60.003 58.100 -0.285 0.000 1.113 5131 Y CB -0.870 37.319 38.460 -0.452 0.000 0.981 5131 Y HN 0.293 nan 8.280 nan 0.000 0.487 5132 H N -0.095 118.615 119.070 -0.600 0.000 2.541 5132 H HA 0.032 4.593 4.556 0.009 0.000 0.289 5132 H C 1.503 176.639 175.328 -0.320 0.000 1.054 5132 H CA 1.054 56.773 56.048 -0.548 0.000 1.250 5132 H CB -0.208 29.461 29.762 -0.155 0.000 1.369 5132 H HN 0.503 nan 8.280 nan 0.000 0.578 5133 A N -0.907 121.845 122.820 -0.113 0.000 2.470 5133 A HA 0.316 4.641 4.320 0.008 0.000 0.251 5133 A C 1.490 179.017 177.584 -0.095 0.000 1.245 5133 A CA -0.185 51.813 52.037 -0.064 0.000 0.932 5133 A CB 0.520 19.514 19.000 -0.010 0.000 1.037 5133 A HN 0.218 nan 8.150 nan 0.000 0.522 5134 I N -2.665 117.804 120.570 -0.168 0.000 3.489 5134 I HA 0.169 4.344 4.170 0.008 0.000 0.273 5134 I C 2.557 178.576 176.117 -0.163 0.000 0.979 5134 I CA 0.266 61.489 61.300 -0.130 0.000 2.160 5134 I CB -0.461 37.482 38.000 -0.095 0.000 1.637 5134 I HN 0.150 nan 8.210 nan 0.000 0.449 5135 R N 1.656 122.043 120.500 -0.189 0.000 2.109 5135 R HA 0.056 4.401 4.340 0.008 0.000 0.227 5135 R C 1.562 177.720 176.300 -0.237 0.000 1.132 5135 R CA 1.393 57.421 56.100 -0.121 0.000 0.907 5135 R CB -2.056 28.300 30.300 0.092 0.000 0.825 5135 R HN 0.544 nan 8.270 nan 0.000 0.432 5136 G N 1.358 109.722 108.800 -0.726 0.000 3.014 5136 G HA2 0.226 4.191 3.960 0.008 0.000 0.239 5136 G HA3 0.226 4.191 3.960 0.008 0.000 0.239 5136 G C -1.863 172.905 174.900 -0.221 0.000 1.249 5136 G CA 0.052 44.796 45.100 -0.594 0.000 0.867 5136 G HN 0.595 nan 8.290 nan 0.000 0.607 5137 P HA 0.133 nan 4.420 nan 0.000 0.271 5137 P C -0.150 177.120 177.300 -0.050 0.000 1.216 5137 P CA -0.003 63.069 63.100 -0.047 0.000 0.776 5137 P CB 0.804 32.494 31.700 -0.017 0.000 0.881 5138 E N 0.944 121.113 120.200 -0.053 0.000 2.354 5138 E HA 0.325 4.680 4.350 0.008 0.000 0.252 5138 E C -0.499 176.065 176.600 -0.060 0.000 1.330 5138 E CA -0.732 55.638 56.400 -0.051 0.000 1.658 5138 E CB -0.222 29.452 29.700 -0.043 0.000 1.460 5138 E HN 0.305 nan 8.360 nan 0.000 0.435 5139 T N 0.147 114.656 114.554 -0.075 0.000 3.542 5139 T HA 0.068 4.423 4.350 0.008 0.000 0.433 5139 T C -0.317 174.318 174.700 -0.108 0.000 1.572 5139 T CA -0.657 61.376 62.100 -0.112 0.000 1.107 5139 T CB 0.332 69.144 68.868 -0.094 0.000 1.511 5139 T HN 0.331 nan 8.240 nan 0.000 0.456 5140 L N 2.758 123.884 121.223 -0.162 0.000 2.592 5140 L HA 0.277 4.622 4.340 0.008 0.000 0.227 5140 L C 2.733 179.546 176.870 -0.095 0.000 1.127 5140 L CA 0.810 55.584 54.840 -0.111 0.000 0.884 5140 L CB -0.912 41.078 42.059 -0.115 0.000 1.065 5140 L HN 0.984 nan 8.230 nan 0.000 0.457 5141 E N 2.435 122.563 120.200 -0.121 0.000 2.144 5141 E HA -0.339 4.016 4.350 0.008 0.000 0.243 5141 E C 1.714 178.287 176.600 -0.044 0.000 1.043 5141 E CA 2.518 58.864 56.400 -0.090 0.000 0.952 5141 E CB -0.852 28.801 29.700 -0.078 0.000 0.849 5141 E HN 0.807 nan 8.360 nan 0.000 0.522 5142 E N -2.028 118.151 120.200 -0.034 0.000 2.415 5142 E HA 0.197 4.552 4.350 0.008 0.000 0.197 5142 E C 2.305 178.899 176.600 -0.010 0.000 1.007 5142 E CA 0.583 56.974 56.400 -0.016 0.000 0.890 5142 E CB -0.386 29.304 29.700 -0.016 0.000 0.891 5142 E HN 0.800 nan 8.360 nan 0.000 0.496 5143 Y N 1.781 122.070 120.300 -0.019 0.000 2.556 5143 Y HA 0.223 4.778 4.550 0.008 0.000 0.290 5143 Y C 1.231 177.118 175.900 -0.022 0.000 1.149 5143 Y CA 0.917 59.006 58.100 -0.018 0.000 1.329 5143 Y CB -0.520 37.930 38.460 -0.018 0.000 0.975 5143 Y HN 0.415 nan 8.280 nan 0.000 0.561 5144 S N -1.492 114.211 115.700 0.005 0.000 2.523 5144 S HA 0.395 4.870 4.470 0.008 0.000 0.335 5144 S C 0.482 175.155 174.600 0.121 0.000 0.817 5144 S CA 0.164 58.395 58.200 0.050 0.000 0.800 5144 S CB -0.486 62.693 63.200 -0.035 0.000 1.106 5144 S HN 0.759 nan 8.310 nan 0.000 0.490 5145 S N 1.104 116.886 115.700 0.137 0.000 2.515 5145 S HA 0.093 4.568 4.470 0.008 0.000 0.231 5145 S C 1.379 176.116 174.600 0.228 0.000 0.987 5145 S CA 1.514 59.795 58.200 0.135 0.000 0.936 5145 S CB -0.434 62.827 63.200 0.101 0.000 0.766 5145 S HN 1.139 nan 8.310 nan 0.000 0.528 5146 F N 0.713 120.782 119.950 0.197 0.000 2.387 5146 F HA 0.297 4.829 4.527 0.009 0.000 0.294 5146 F C 1.032 176.922 175.800 0.149 0.000 1.093 5146 F CA 0.468 58.581 58.000 0.188 0.000 1.420 5146 F CB -0.294 38.848 39.000 0.236 0.000 1.086 5146 F HN 0.228 nan 8.300 nan 0.000 0.531 5147 F N 0.729 120.569 119.950 -0.184 0.000 2.473 5147 F HA 0.319 4.851 4.527 0.008 0.000 0.294 5147 F C 1.939 177.640 175.800 -0.165 0.000 1.103 5147 F CA 0.183 58.030 58.000 -0.255 0.000 1.442 5147 F CB -1.295 37.635 39.000 -0.117 0.000 1.097 5147 F HN -0.102 nan 8.300 nan 0.000 0.547 5148 G N -0.410 108.410 108.800 0.034 0.000 2.554 5148 G HA2 0.296 4.261 3.960 0.008 0.000 0.238 5148 G HA3 0.296 4.261 3.960 0.008 0.000 0.238 5148 G C -1.291 173.528 174.900 -0.135 0.000 1.259 5148 G CA 0.059 45.073 45.100 -0.143 0.000 0.843 5148 G HN 0.284 nan 8.290 nan 0.000 0.582 5149 Y N -1.336 118.830 120.300 -0.223 0.000 2.609 5149 Y HA 0.655 5.210 4.550 0.009 0.000 0.336 5149 Y C -1.331 174.363 175.900 -0.343 0.000 1.129 5149 Y CA -2.170 55.755 58.100 -0.291 0.000 1.040 5149 Y CB 1.704 39.930 38.460 -0.389 0.000 1.310 5149 Y HN 0.427 nan 8.280 nan 0.000 0.460 5150 D N 1.766 122.166 120.400 0.001 0.000 2.492 5150 D HA 0.167 4.812 4.640 0.008 0.000 0.248 5150 D C -0.151 176.203 176.300 0.090 0.000 1.101 5150 D CA -0.491 53.501 54.000 -0.015 0.000 0.840 5150 D CB 0.961 41.770 40.800 0.014 0.000 1.209 5150 D HN 0.837 nan 8.370 nan 0.000 0.524 5151 W N 2.926 124.372 121.300 0.243 0.000 2.292 5151 W HA -0.240 4.426 4.660 0.011 0.000 0.330 5151 W C 2.332 179.047 176.519 0.326 0.000 1.264 5151 W CA 0.596 58.119 57.345 0.296 0.000 1.235 5151 W CB -0.046 29.610 29.460 0.327 0.000 1.164 5151 W HN 0.360 nan 8.180 nan 0.000 0.461 5152 K N 1.155 121.859 120.400 0.506 0.000 2.442 5152 K HA -0.182 4.143 4.320 0.008 0.000 0.199 5152 K C 0.451 177.163 176.600 0.186 0.000 1.044 5152 K CA 1.129 57.627 56.287 0.352 0.000 0.941 5152 K CB -0.698 31.937 32.500 0.225 0.000 0.759 5152 K HN -0.144 nan 8.250 nan 0.000 0.472 5153 D N 1.596 122.086 120.400 0.150 0.000 2.482 5153 D HA -0.056 4.589 4.640 0.008 0.000 0.244 5153 D C -0.427 175.878 176.300 0.008 0.000 1.242 5153 D CA 0.216 54.240 54.000 0.041 0.000 1.097 5153 D CB -0.035 40.780 40.800 0.025 0.000 1.109 5153 D HN 0.209 nan 8.370 nan 0.000 0.510 5154 K N 2.019 122.370 120.400 -0.081 0.000 2.809 5154 K HA -0.109 4.216 4.320 0.008 0.000 0.224 5154 K C 1.038 177.555 176.600 -0.137 0.000 0.946 5154 K CA 0.242 56.403 56.287 -0.210 0.000 1.059 5154 K CB -0.017 32.094 32.500 -0.649 0.000 0.877 5154 K HN 0.447 nan 8.250 nan 0.000 0.478 5155 N N -0.465 118.185 118.700 -0.083 0.000 2.357 5155 N HA -0.086 4.659 4.740 0.008 0.000 0.260 5155 N C 1.737 177.194 175.510 -0.088 0.000 1.035 5155 N CA 0.272 53.274 53.050 -0.079 0.000 0.839 5155 N CB 0.126 38.571 38.487 -0.072 0.000 1.723 5155 N HN 0.052 nan 8.380 nan 0.000 0.617 5156 K N 0.995 121.349 120.400 -0.077 0.000 2.360 5156 K HA -0.013 4.312 4.320 0.008 0.000 0.201 5156 K C 1.755 178.257 176.600 -0.164 0.000 1.046 5156 K CA 1.176 57.407 56.287 -0.094 0.000 0.945 5156 K CB -0.621 31.844 32.500 -0.059 0.000 0.750 5156 K HN 0.186 nan 8.250 nan 0.000 0.464 5157 M N 0.445 119.947 119.600 -0.163 0.000 2.134 5157 M HA -0.025 4.460 4.480 0.008 0.000 0.262 5157 M C 2.340 178.500 176.300 -0.233 0.000 1.076 5157 M CA 1.926 57.089 55.300 -0.228 0.000 1.143 5157 M CB -1.378 31.071 32.600 -0.252 0.000 1.346 5157 M HN 0.330 nan 8.290 nan 0.000 0.421 5158 T N 0.996 115.443 114.554 -0.179 0.000 2.869 5158 T HA -0.113 4.242 4.350 0.008 0.000 0.270 5158 T C 1.747 176.318 174.700 -0.216 0.000 1.082 5158 T CA 1.761 63.752 62.100 -0.183 0.000 1.123 5158 T CB -0.360 68.476 68.868 -0.054 0.000 0.856 5158 T HN 0.442 nan 8.240 nan 0.000 0.499 5159 T N 1.881 116.271 114.554 -0.273 0.000 2.735 5159 T HA 0.148 4.503 4.350 0.008 0.000 0.256 5159 T C 2.018 176.236 174.700 -0.804 0.000 1.042 5159 T CA 0.620 62.438 62.100 -0.470 0.000 1.147 5159 T CB -0.325 68.340 68.868 -0.339 0.000 0.865 5159 T HN 0.315 nan 8.240 nan 0.000 0.421 5160 I N 1.191 121.448 120.570 -0.521 0.000 2.194 5160 I HA -0.179 3.996 4.170 0.008 0.000 0.246 5160 I C 2.396 178.226 176.117 -0.477 0.000 1.093 5160 I CA 0.935 61.982 61.300 -0.422 0.000 1.355 5160 I CB -0.516 37.306 38.000 -0.297 0.000 1.046 5160 I HN 0.137 nan 8.210 nan 0.000 0.413 5161 L N 1.467 122.505 121.223 -0.309 0.000 1.970 5161 L HA -0.134 4.211 4.340 0.008 0.000 0.212 5161 L C 2.465 179.249 176.870 -0.144 0.000 1.071 5161 L CA 2.481 57.221 54.840 -0.167 0.000 0.751 5161 L CB -1.469 40.438 42.059 -0.254 0.000 0.889 5161 L HN 0.229 nan 8.230 nan 0.000 0.432 5162 G N -0.792 107.881 108.800 -0.212 0.000 2.624 5162 G HA2 -0.375 3.590 3.960 0.008 0.000 0.221 5162 G HA3 -0.375 3.590 3.960 0.008 0.000 0.221 5162 G C 1.426 176.279 174.900 -0.078 0.000 1.169 5162 G CA 1.434 46.468 45.100 -0.111 0.000 0.771 5162 G HN 0.432 nan 8.290 nan 0.000 0.598 5163 F N 0.737 120.635 119.950 -0.086 0.000 2.025 5163 F HA -0.054 4.478 4.527 0.008 0.000 0.297 5163 F C 2.666 178.475 175.800 0.015 0.000 1.132 5163 F CA 1.585 59.532 58.000 -0.088 0.000 1.191 5163 F CB -1.464 37.389 39.000 -0.246 0.000 0.963 5163 F HN 0.301 nan 8.300 nan 0.000 0.481 5164 H N -0.572 118.633 119.070 0.224 0.000 2.353 5164 H HA -0.195 4.366 4.556 0.008 0.000 0.298 5164 H C 2.348 177.742 175.328 0.111 0.000 1.103 5164 H CA 1.202 57.329 56.048 0.131 0.000 1.293 5164 H CB -0.479 29.331 29.762 0.079 0.000 1.372 5164 H HN 0.187 nan 8.280 nan 0.000 0.501 5165 L N 0.320 121.673 121.223 0.217 0.000 2.187 5165 L HA -0.194 4.151 4.340 0.008 0.000 0.213 5165 L C 2.013 178.978 176.870 0.158 0.000 1.100 5165 L CA 0.965 55.905 54.840 0.167 0.000 0.765 5165 L CB -0.109 42.049 42.059 0.165 0.000 0.904 5165 L HN 0.335 nan 8.230 nan 0.000 0.437 5166 I N -2.248 118.425 120.570 0.171 0.000 2.400 5166 I HA -0.189 3.986 4.170 0.008 0.000 0.248 5166 I C 2.324 178.531 176.117 0.151 0.000 1.109 5166 I CA 0.438 61.832 61.300 0.156 0.000 1.425 5166 I CB -0.252 37.851 38.000 0.171 0.000 1.094 5166 I HN -0.075 nan 8.210 nan 0.000 0.425 5167 V N 1.452 121.472 119.914 0.177 0.000 2.282 5167 V HA -0.300 3.825 4.120 0.008 0.000 0.249 5167 V C 2.481 178.653 176.094 0.129 0.000 1.057 5167 V CA 1.931 64.324 62.300 0.156 0.000 1.032 5167 V CB -0.552 31.384 31.823 0.188 0.000 0.645 5167 V HN 0.356 nan 8.190 nan 0.000 0.447 5168 L N 0.151 121.453 121.223 0.132 0.000 2.017 5168 L HA -0.106 4.239 4.340 0.008 0.000 0.208 5168 L C 2.693 179.629 176.870 0.111 0.000 1.073 5168 L CA 1.866 56.774 54.840 0.114 0.000 0.745 5168 L CB -1.244 40.880 42.059 0.109 0.000 0.894 5168 L HN 0.462 nan 8.230 nan 0.000 0.432 5169 G N 0.395 109.263 108.800 0.113 0.000 2.476 5169 G HA2 -0.278 3.687 3.960 0.008 0.000 0.218 5169 G HA3 -0.278 3.687 3.960 0.008 0.000 0.218 5169 G C 1.499 176.462 174.900 0.105 0.000 1.164 5169 G CA 0.788 45.952 45.100 0.107 0.000 0.768 5169 G HN 0.183 nan 8.290 nan 0.000 0.560 5170 I N 1.938 122.569 120.570 0.102 0.000 2.208 5170 I HA -0.123 4.052 4.170 0.008 0.000 0.245 5170 I C 3.025 179.198 176.117 0.093 0.000 1.097 5170 I CA 1.386 62.742 61.300 0.093 0.000 1.363 5170 I CB -1.551 36.501 38.000 0.086 0.000 1.051 5170 I HN 0.243 nan 8.210 nan 0.000 0.413 5171 G N 0.489 109.348 108.800 0.098 0.000 2.418 5171 G HA2 -0.191 3.774 3.960 0.008 0.000 0.217 5171 G HA3 -0.191 3.774 3.960 0.008 0.000 0.217 5171 G C 1.881 176.849 174.900 0.113 0.000 1.158 5171 G CA 1.014 46.173 45.100 0.099 0.000 0.771 5171 G HN 0.491 nan 8.290 nan 0.000 0.545 5172 A N 0.787 123.689 122.820 0.138 0.000 1.883 5172 A HA 0.049 4.374 4.320 0.008 0.000 0.217 5172 A C 2.415 180.096 177.584 0.162 0.000 1.186 5172 A CA 1.368 53.525 52.037 0.199 0.000 0.624 5172 A CB -0.524 18.592 19.000 0.193 0.000 0.822 5172 A HN 0.346 nan 8.150 nan 0.000 0.444 5173 L N -0.432 120.870 121.223 0.132 0.000 2.265 5173 L HA -0.174 4.170 4.340 0.008 0.000 0.215 5173 L C 2.424 179.360 176.870 0.110 0.000 1.117 5173 L CA 0.618 55.531 54.840 0.121 0.000 0.782 5173 L CB -0.547 41.581 42.059 0.115 0.000 0.914 5173 L HN 0.399 nan 8.230 nan 0.000 0.441 5174 L N -0.759 120.518 121.223 0.090 0.000 2.083 5174 L HA -0.244 4.100 4.340 0.008 0.000 0.209 5174 L C 2.572 179.468 176.870 0.044 0.000 1.083 5174 L CA 0.871 55.750 54.840 0.066 0.000 0.752 5174 L CB -0.405 41.688 42.059 0.056 0.000 0.899 5174 L HN 0.278 nan 8.230 nan 0.000 0.433 5175 L N -0.211 121.022 121.223 0.017 0.000 1.976 5175 L HA -0.180 4.165 4.340 0.008 0.000 0.209 5175 L C 2.458 179.294 176.870 -0.057 0.000 1.071 5175 L CA 1.709 56.511 54.840 -0.063 0.000 0.746 5175 L CB -0.484 41.456 42.059 -0.199 0.000 0.890 5175 L HN -0.073 nan 8.230 nan 0.000 0.432 5176 V N 0.391 120.293 119.914 -0.020 0.000 2.370 5176 V HA -0.371 3.754 4.120 0.008 0.000 0.252 5176 V C 2.775 178.853 176.094 -0.026 0.000 1.068 5176 V CA 1.755 64.041 62.300 -0.023 0.000 1.061 5176 V CB -1.775 30.073 31.823 0.043 0.000 0.656 5176 V HN 0.651 nan 8.190 nan 0.000 0.455 5177 A N 0.290 123.186 122.820 0.125 0.000 1.855 5177 A HA -0.235 4.090 4.320 0.008 0.000 0.215 5177 A C 2.235 180.017 177.584 0.330 0.000 1.191 5177 A CA 2.108 54.365 52.037 0.366 0.000 0.613 5177 A CB -0.557 18.662 19.000 0.365 0.000 0.829 5177 A HN 0.452 nan 8.150 nan 0.000 0.442 5178 K N 0.182 120.661 120.400 0.131 0.000 2.281 5178 K HA -0.039 4.286 4.320 0.008 0.000 0.203 5178 K C 1.673 178.246 176.600 -0.044 0.000 1.046 5178 K CA 1.660 57.964 56.287 0.029 0.000 0.938 5178 K CB -0.405 32.000 32.500 -0.158 0.000 0.737 5178 K HN 0.393 nan 8.250 nan 0.000 0.458 5179 A N -0.125 122.643 122.820 -0.087 0.000 1.881 5179 A HA 0.101 4.426 4.320 0.008 0.000 0.210 5179 A C 2.024 179.476 177.584 -0.219 0.000 1.239 5179 A CA 1.012 52.962 52.037 -0.144 0.000 0.629 5179 A CB -0.262 18.653 19.000 -0.142 0.000 0.906 5179 A HN 0.289 nan 8.150 nan 0.000 0.460 5180 M N -1.575 117.784 119.600 -0.403 0.000 2.492 5180 M HA 0.099 4.584 4.480 0.008 0.000 0.262 5180 M C 0.855 176.593 176.300 -0.937 0.000 1.090 5180 M CA 1.172 56.020 55.300 -0.752 0.000 1.110 5180 M CB -0.044 31.858 32.600 -1.163 0.000 1.407 5180 M HN 0.482 nan 8.290 nan 0.000 0.470 5181 F N -1.979 117.955 119.950 -0.027 0.000 2.577 5181 F HA 0.284 4.816 4.527 0.008 0.000 0.282 5181 F C 0.304 175.830 175.800 -0.456 0.000 0.957 5181 F CA -0.808 57.038 58.000 -0.256 0.000 1.168 5181 F CB 0.140 38.945 39.000 -0.325 0.000 0.958 5181 F HN -0.228 nan 8.300 nan 0.000 0.702 5182 F N 0.803 120.813 119.950 0.098 0.000 2.291 5182 F HA 0.565 5.097 4.527 0.008 0.000 0.368 5182 F C 1.208 176.956 175.800 -0.086 0.000 1.085 5182 F CA -0.372 57.648 58.000 0.034 0.000 1.165 5182 F CB 0.806 39.841 39.000 0.059 0.000 1.429 5182 F HN 0.272 nan 8.300 nan 0.000 0.503 5183 G N 1.193 110.008 108.800 0.024 0.000 2.284 5183 G HA2 -0.081 3.884 3.960 0.008 0.000 0.261 5183 G HA3 -0.081 3.884 3.960 0.008 0.000 0.261 5183 G C 0.856 175.696 174.900 -0.100 0.000 0.997 5183 G CA 0.137 45.206 45.100 -0.052 0.000 0.621 5183 G HN 1.561 nan 8.290 nan 0.000 0.534 5184 G N -1.162 107.573 108.800 -0.108 0.000 2.593 5184 G HA2 0.101 4.066 3.960 0.008 0.000 0.237 5184 G HA3 0.101 4.066 3.960 0.008 0.000 0.237 5184 G C -0.128 174.688 174.900 -0.140 0.000 1.312 5184 G CA 0.240 45.270 45.100 -0.116 0.000 0.896 5184 G HN 1.433 nan 8.290 nan 0.000 0.574 5185 L N -1.858 119.313 121.223 -0.088 0.000 2.301 5185 L HA 0.653 4.998 4.340 0.008 0.000 0.249 5185 L C -0.173 176.725 176.870 0.046 0.000 1.069 5185 L CA -1.200 53.619 54.840 -0.035 0.000 0.865 5185 L CB 1.655 43.702 42.059 -0.019 0.000 1.467 5185 L HN 0.721 nan 8.230 nan 0.000 0.419 5186 Y N 0.426 120.763 120.300 0.061 0.000 2.326 5186 Y HA 0.272 4.827 4.550 0.008 0.000 0.333 5186 Y C -0.474 175.489 175.900 0.106 0.000 1.240 5186 Y CA 0.186 58.368 58.100 0.137 0.000 1.365 5186 Y CB 0.945 39.590 38.460 0.309 0.000 1.289 5186 Y HN 0.376 nan 8.280 nan 0.000 0.548 5187 D N 2.971 123.054 120.400 -0.529 0.000 2.386 5187 D HA 0.157 4.802 4.640 0.008 0.000 0.247 5187 D C 0.011 176.171 176.300 -0.234 0.000 1.336 5187 D CA -0.194 53.709 54.000 -0.163 0.000 0.976 5187 D CB 1.561 42.295 40.800 -0.109 0.000 1.257 5187 D HN 0.751 nan 8.370 nan 0.000 0.570 5188 T N 1.793 116.374 114.554 0.044 0.000 2.777 5188 T HA -0.119 4.236 4.350 0.008 0.000 0.266 5188 T C 1.435 176.017 174.700 -0.197 0.000 1.040 5188 T CA 0.948 63.025 62.100 -0.038 0.000 1.141 5188 T CB -0.145 68.572 68.868 -0.251 0.000 0.868 5188 T HN 0.516 nan 8.240 nan 0.000 0.444 5189 W N 2.240 123.575 121.300 0.058 0.000 3.096 5189 W HA 0.486 5.150 4.660 0.007 0.000 0.241 5189 W C 1.126 177.639 176.519 -0.011 0.000 1.316 5189 W CA -0.748 56.613 57.345 0.027 0.000 1.520 5189 W CB -0.618 28.853 29.460 0.018 0.000 1.128 5189 W HN 0.126 nan 8.180 nan 0.000 0.707 5190 A N 1.734 124.606 122.820 0.088 0.000 2.563 5190 A HA -0.050 4.275 4.320 0.008 0.000 0.256 5190 A C -1.135 176.464 177.584 0.025 0.000 1.056 5190 A CA -0.523 51.518 52.037 0.006 0.000 0.775 5190 A CB -0.060 18.872 19.000 -0.114 0.000 0.973 5190 A HN 0.083 nan 8.150 nan 0.000 0.516 5191 P HA -0.235 nan 4.420 nan 0.000 0.217 5191 P C 1.743 179.041 177.300 -0.004 0.000 1.158 5191 P CA 2.309 65.427 63.100 0.030 0.000 0.887 5191 P CB 0.102 31.813 31.700 0.018 0.000 0.792 5192 G N -1.951 106.829 108.800 -0.035 0.000 2.421 5192 G HA2 0.288 4.253 3.960 0.008 0.000 0.217 5192 G HA3 0.288 4.253 3.960 0.008 0.000 0.217 5192 G C 0.598 175.429 174.900 -0.116 0.000 1.143 5192 G CA 0.719 45.779 45.100 -0.068 0.000 0.784 5192 G HN 0.679 nan 8.290 nan 0.000 0.541 5193 G N -2.164 106.577 108.800 -0.099 0.000 2.317 5193 G HA2 0.508 4.473 3.960 0.008 0.000 0.445 5193 G HA3 0.508 4.473 3.960 0.008 0.000 0.445 5193 G C 0.156 174.994 174.900 -0.104 0.000 1.486 5193 G CA -0.286 44.737 45.100 -0.129 0.000 0.991 5193 G HN 1.130 nan 8.290 nan 0.000 0.660 5194 G N 0.084 108.845 108.800 -0.065 0.000 2.227 5194 G HA2 0.441 4.406 3.960 0.008 0.000 0.250 5194 G HA3 0.441 4.406 3.960 0.008 0.000 0.250 5194 G C 0.056 174.846 174.900 -0.183 0.000 0.910 5194 G CA 1.883 46.938 45.100 -0.076 0.000 0.922 5194 G HN 1.659 nan 8.290 nan 0.000 0.385 5195 D N 0.421 120.447 120.400 -0.624 0.000 2.951 5195 D HA 0.066 4.711 4.640 0.008 0.000 0.262 5195 D C -0.143 175.881 176.300 -0.460 0.000 1.110 5195 D CA -0.564 53.205 54.000 -0.385 0.000 0.724 5195 D CB 0.487 41.206 40.800 -0.134 0.000 1.516 5195 D HN 0.464 nan 8.370 nan 0.000 0.447 5196 V N 2.693 122.490 119.914 -0.195 0.000 2.814 5196 V HA 0.239 4.364 4.120 0.008 0.000 0.307 5196 V C 0.740 176.765 176.094 -0.115 0.000 1.089 5196 V CA 0.700 62.936 62.300 -0.106 0.000 1.212 5196 V CB 0.518 32.336 31.823 -0.008 0.000 0.912 5196 V HN 0.502 nan 8.190 nan 0.000 0.497 5197 R N 2.679 123.119 120.500 -0.100 0.000 2.515 5197 R HA 0.441 4.786 4.340 0.008 0.000 0.278 5197 R C -1.696 174.562 176.300 -0.071 0.000 1.107 5197 R CA -0.653 55.399 56.100 -0.080 0.000 0.945 5197 R CB 2.165 32.417 30.300 -0.080 0.000 1.219 5197 R HN 0.519 nan 8.270 nan 0.000 0.434 5198 V N 6.096 125.970 119.914 -0.068 0.000 2.405 5198 V HA 0.153 4.278 4.120 0.008 0.000 0.264 5198 V C 0.462 176.505 176.094 -0.085 0.000 1.048 5198 V CA -0.220 62.030 62.300 -0.083 0.000 0.966 5198 V CB 0.648 32.424 31.823 -0.078 0.000 1.015 5198 V HN 0.522 nan 8.190 nan 0.000 0.477 5199 I N 5.458 125.969 120.570 -0.099 0.000 2.556 5199 I HA 0.198 4.373 4.170 0.008 0.000 0.284 5199 I C 1.170 177.216 176.117 -0.118 0.000 1.114 5199 I CA 0.916 62.163 61.300 -0.088 0.000 1.418 5199 I CB 1.370 39.321 38.000 -0.082 0.000 1.394 5199 I HN 0.796 nan 8.210 nan 0.000 0.552 5200 T N 0.387 114.893 114.554 -0.080 0.000 3.541 5200 T HA 0.254 4.609 4.350 0.008 0.000 0.309 5200 T C 0.252 174.930 174.700 -0.037 0.000 0.973 5200 T CA -0.433 61.622 62.100 -0.076 0.000 0.993 5200 T CB -0.399 68.438 68.868 -0.052 0.000 1.206 5200 T HN 0.552 nan 8.240 nan 0.000 0.489 5201 N N 1.546 120.229 118.700 -0.028 0.000 2.577 5201 N HA 0.261 5.006 4.740 0.008 0.000 0.285 5201 N C -3.175 172.344 175.510 0.014 0.000 1.658 5201 N CA -0.798 52.252 53.050 -0.001 0.000 0.865 5201 N CB 0.971 39.459 38.487 0.002 0.000 1.419 5201 N HN 0.174 nan 8.380 nan 0.000 0.495 5202 P HA -0.043 nan 4.420 nan 0.000 0.264 5202 P C -0.470 176.879 177.300 0.082 0.000 1.173 5202 P CA 0.731 63.855 63.100 0.041 0.000 0.761 5202 P CB 0.401 32.125 31.700 0.041 0.000 0.794 5203 T N 4.052 118.668 114.554 0.103 0.000 2.738 5203 T HA 0.301 4.656 4.350 0.008 0.000 0.293 5203 T C 0.660 175.498 174.700 0.230 0.000 0.913 5203 T CA -0.321 61.856 62.100 0.129 0.000 1.103 5203 T CB -0.552 68.379 68.868 0.105 0.000 0.880 5203 T HN 0.216 nan 8.240 nan 0.000 0.526 5204 L N 0.950 122.322 121.223 0.248 0.000 2.657 5204 L HA 0.858 5.203 4.340 0.008 0.000 0.240 5204 L C -0.059 177.060 176.870 0.414 0.000 1.151 5204 L CA -1.170 53.918 54.840 0.414 0.000 0.831 5204 L CB 0.290 42.494 42.059 0.241 0.000 1.539 5204 L HN 0.450 nan 8.230 nan 0.000 0.511 5205 D N -0.744 119.981 120.400 0.542 0.000 7.414 5205 D HA -0.095 4.550 4.640 0.008 0.000 0.249 5205 D C -2.033 174.336 176.300 0.115 0.000 2.075 5205 D CA 0.259 54.443 54.000 0.306 0.000 1.907 5205 D CB -0.008 40.886 40.800 0.156 0.000 0.774 5205 D HN 0.550 nan 8.370 nan 0.000 0.482 5206 P HA -0.227 nan 4.420 nan 0.000 0.214 5206 P C 1.587 178.881 177.300 -0.011 0.000 1.163 5206 P CA 0.986 63.991 63.100 -0.159 0.000 0.883 5206 P CB 0.119 31.657 31.700 -0.269 0.000 0.788 5207 R N 0.023 120.510 120.500 -0.021 0.000 2.292 5207 R HA -0.161 4.184 4.340 0.008 0.000 0.223 5207 R C 2.412 178.689 176.300 -0.039 0.000 1.088 5207 R CA 1.499 57.584 56.100 -0.025 0.000 0.849 5207 R CB -2.203 28.085 30.300 -0.021 0.000 0.852 5207 R HN 0.125 nan 8.270 nan 0.000 0.424 5208 V N 1.885 121.771 119.914 -0.046 0.000 2.252 5208 V HA -0.272 3.853 4.120 0.008 0.000 0.249 5208 V C 2.593 178.655 176.094 -0.053 0.000 1.056 5208 V CA 1.856 64.108 62.300 -0.081 0.000 1.022 5208 V CB -0.511 31.296 31.823 -0.027 0.000 0.641 5208 V HN 0.214 nan 8.190 nan 0.000 0.445 5209 I N -0.313 120.229 120.570 -0.046 0.000 2.034 5209 I HA -0.226 3.949 4.170 0.008 0.000 0.228 5209 I C 2.308 178.341 176.117 -0.140 0.000 1.041 5209 I CA 2.007 63.230 61.300 -0.128 0.000 1.321 5209 I CB -1.538 36.170 38.000 -0.488 0.000 1.062 5209 I HN 0.245 nan 8.210 nan 0.000 0.389 5210 F N 1.506 121.306 119.950 -0.251 0.000 2.323 5210 F HA -0.166 4.365 4.527 0.008 0.000 0.301 5210 F C 2.488 178.223 175.800 -0.109 0.000 1.060 5210 F CA 1.101 58.993 58.000 -0.181 0.000 1.398 5210 F CB -1.530 37.333 39.000 -0.228 0.000 1.075 5210 F HN 0.201 nan 8.300 nan 0.000 0.540 5211 G N -0.326 108.472 108.800 -0.002 0.000 2.586 5211 G HA2 -0.354 3.611 3.960 0.008 0.000 0.218 5211 G HA3 -0.354 3.611 3.960 0.008 0.000 0.218 5211 G C 1.354 176.195 174.900 -0.097 0.000 1.216 5211 G CA 1.213 46.252 45.100 -0.101 0.000 0.786 5211 G HN 0.364 nan 8.290 nan 0.000 0.583 5212 Y N 0.659 120.888 120.300 -0.118 0.000 2.271 5212 Y HA -0.165 4.389 4.550 0.007 0.000 0.284 5212 Y C 2.773 178.514 175.900 -0.266 0.000 1.189 5212 Y CA 1.047 59.033 58.100 -0.189 0.000 1.229 5212 Y CB -0.488 37.819 38.460 -0.255 0.000 0.973 5212 Y HN 0.123 nan 8.280 nan 0.000 0.537 5213 L N -0.271 120.932 121.223 -0.033 0.000 2.017 5213 L HA -0.163 4.182 4.340 0.008 0.000 0.208 5213 L C 1.192 178.233 176.870 0.285 0.000 1.073 5213 L CA 1.170 56.020 54.840 0.015 0.000 0.745 5213 L CB -0.437 41.677 42.059 0.092 0.000 0.894 5213 L HN 0.291 nan 8.230 nan 0.000 0.432 5214 L N -2.075 119.271 121.223 0.205 0.000 2.843 5214 L HA 0.406 4.751 4.340 0.008 0.000 0.234 5214 L C -0.286 176.692 176.870 0.180 0.000 1.264 5214 L CA -0.288 54.685 54.840 0.223 0.000 1.052 5214 L CB 0.103 42.244 42.059 0.137 0.000 1.372 5214 L HN -0.038 nan 8.230 nan 0.000 0.466 5215 K N 1.235 121.800 120.400 0.275 0.000 2.413 5215 K HA 0.338 4.663 4.320 0.008 0.000 0.257 5215 K C 0.057 176.813 176.600 0.261 0.000 0.946 5215 K CA -0.446 55.958 56.287 0.196 0.000 0.823 5215 K CB 1.965 34.548 32.500 0.137 0.000 1.109 5215 K HN 0.402 nan 8.250 nan 0.000 0.427 5216 S N 4.177 119.968 115.700 0.152 0.000 2.571 5216 S HA 0.005 4.480 4.470 0.008 0.000 0.298 5216 S C -1.409 173.227 174.600 0.059 0.000 1.280 5216 S CA -0.757 57.517 58.200 0.123 0.000 1.052 5216 S CB 0.501 63.812 63.200 0.184 0.000 0.799 5216 S HN 0.573 nan 8.310 nan 0.000 0.501 5217 P HA 0.131 nan 4.420 nan 0.000 0.249 5217 P C 0.032 177.106 177.300 -0.378 0.000 1.229 5217 P CA 0.088 63.021 63.100 -0.279 0.000 0.788 5217 P CB -0.005 31.375 31.700 -0.532 0.000 1.072 5218 F N 1.448 121.360 119.950 -0.062 0.000 2.399 5218 F HA 0.410 4.937 4.527 -0.001 0.000 0.313 5218 F C 2.027 177.778 175.800 -0.081 0.000 1.202 5218 F CA 0.059 58.020 58.000 -0.066 0.000 1.192 5218 F CB -0.609 38.365 39.000 -0.043 0.000 1.256 5218 F HN -0.146 nan 8.300 nan 0.000 0.558 5219 G N 0.412 109.317 108.800 0.176 0.000 2.349 5219 G HA2 0.332 4.297 3.960 0.008 0.000 0.232 5219 G HA3 0.332 4.297 3.960 0.008 0.000 0.232 5219 G C 0.759 175.648 174.900 -0.019 0.000 1.240 5219 G CA 0.144 45.267 45.100 0.039 0.000 0.870 5219 G HN 1.281 nan 8.290 nan 0.000 0.528 5220 G N 1.446 110.170 108.800 -0.127 0.000 3.031 5220 G HA2 -0.285 3.680 3.960 0.008 0.000 0.289 5220 G HA3 -0.285 3.680 3.960 0.008 0.000 0.289 5220 G C 0.451 175.284 174.900 -0.111 0.000 1.393 5220 G CA 0.310 45.298 45.100 -0.186 0.000 1.010 5220 G HN 0.893 nan 8.290 nan 0.000 0.579 5221 E N 3.499 123.669 120.200 -0.050 0.000 2.175 5221 E HA 0.349 4.704 4.350 0.008 0.000 0.247 5221 E C 1.178 177.778 176.600 -0.000 0.000 1.259 5221 E CA 0.742 57.131 56.400 -0.018 0.000 0.969 5221 E CB -0.110 29.601 29.700 0.018 0.000 1.051 5221 E HN 0.760 nan 8.360 nan 0.000 0.448 5222 G N 1.919 110.704 108.800 -0.025 0.000 2.486 5222 G HA2 0.064 4.029 3.960 0.008 0.000 0.272 5222 G HA3 0.064 4.029 3.960 0.008 0.000 0.272 5222 G C 0.078 175.045 174.900 0.112 0.000 1.426 5222 G CA -0.295 44.787 45.100 -0.029 0.000 1.058 5222 G HN 0.583 nan 8.290 nan 0.000 0.531 5223 W N -1.295 119.944 121.300 -0.101 0.000 4.339 5223 W HA 0.388 5.058 4.660 0.017 0.000 0.547 5223 W C 2.161 178.714 176.519 0.056 0.000 3.316 5223 W CA 0.124 57.455 57.345 -0.025 0.000 1.224 5223 W CB -0.454 28.979 29.460 -0.044 0.000 2.202 5223 W HN 0.227 nan 8.180 nan 0.000 0.395 5224 I N 1.425 121.833 120.570 -0.271 0.000 2.500 5224 I HA -0.161 4.014 4.170 0.008 0.000 0.252 5224 I C 1.725 177.736 176.117 -0.176 0.000 1.142 5224 I CA 0.729 61.784 61.300 -0.409 0.000 1.451 5224 I CB -0.638 37.063 38.000 -0.498 0.000 1.093 5224 I HN -0.074 nan 8.210 nan 0.000 0.430 5225 V N 0.877 120.620 119.914 -0.284 0.000 3.284 5225 V HA -0.191 3.934 4.120 0.008 0.000 0.273 5225 V C 1.974 177.839 176.094 -0.382 0.000 1.178 5225 V CA 1.034 62.854 62.300 -0.800 0.000 1.177 5225 V CB -1.312 30.145 31.823 -0.609 0.000 0.793 5225 V HN 0.354 nan 8.190 nan 0.000 0.536 5226 S N -0.154 115.467 115.700 -0.131 0.000 2.269 5226 S HA 0.092 4.567 4.470 0.008 0.000 0.167 5226 S C 0.834 175.425 174.600 -0.016 0.000 1.319 5226 S CA 0.443 58.643 58.200 -0.001 0.000 2.086 5226 S CB -0.168 63.145 63.200 0.188 0.000 0.582 5226 S HN 0.396 nan 8.310 nan 0.000 0.360 5227 V N 3.169 123.099 119.914 0.027 0.000 5.702 5227 V HA -0.172 3.953 4.120 0.008 0.000 0.268 5227 V C 0.218 176.312 176.094 0.000 0.000 0.689 5227 V CA 0.710 62.922 62.300 -0.147 0.000 0.965 5227 V CB -2.170 29.496 31.823 -0.262 0.000 1.107 5227 V HN 0.813 nan 8.190 nan 0.000 0.434 5228 N N 1.229 119.911 118.700 -0.030 0.000 2.276 5228 N HA 0.140 4.885 4.740 0.008 0.000 0.212 5228 N C 0.108 175.438 175.510 -0.301 0.000 1.127 5228 N CA 0.283 53.241 53.050 -0.154 0.000 0.834 5228 N CB 0.356 38.609 38.487 -0.390 0.000 1.014 5228 N HN 0.945 nan 8.380 nan 0.000 0.491 5229 N N -0.170 118.472 118.700 -0.097 0.000 2.367 5229 N HA 0.115 4.860 4.740 0.008 0.000 0.278 5229 N C -0.252 175.274 175.510 0.028 0.000 1.117 5229 N CA -0.672 52.347 53.050 -0.052 0.000 0.867 5229 N CB 1.025 39.446 38.487 -0.109 0.000 1.649 5229 N HN -0.081 nan 8.380 nan 0.000 0.479 5230 L N 0.608 121.869 121.223 0.063 0.000 2.275 5230 L HA -0.084 4.261 4.340 0.008 0.000 0.215 5230 L C 1.938 178.819 176.870 0.019 0.000 1.119 5230 L CA 0.868 55.735 54.840 0.045 0.000 0.790 5230 L CB -0.247 41.840 42.059 0.048 0.000 0.919 5230 L HN 0.567 nan 8.230 nan 0.000 0.443 5231 E N 0.593 120.803 120.200 0.016 0.000 2.038 5231 E HA -0.243 4.112 4.350 0.008 0.000 0.195 5231 E C 1.608 178.229 176.600 0.035 0.000 1.000 5231 E CA 1.726 58.137 56.400 0.018 0.000 0.803 5231 E CB -0.409 29.302 29.700 0.018 0.000 0.750 5231 E HN 0.540 nan 8.360 nan 0.000 0.448 5232 D N 0.659 121.080 120.400 0.035 0.000 2.117 5232 D HA -0.102 4.543 4.640 0.008 0.000 0.198 5232 D C 2.155 178.460 176.300 0.007 0.000 0.982 5232 D CA 0.886 54.906 54.000 0.034 0.000 0.828 5232 D CB -0.158 40.665 40.800 0.039 0.000 0.967 5232 D HN -0.041 nan 8.370 nan 0.000 0.464 5233 V N 0.357 120.274 119.914 0.005 0.000 2.332 5233 V HA -0.229 3.896 4.120 0.008 0.000 0.248 5233 V C 2.359 178.534 176.094 0.135 0.000 1.055 5233 V CA 1.201 63.531 62.300 0.051 0.000 1.038 5233 V CB -0.461 31.379 31.823 0.028 0.000 0.651 5233 V HN 0.116 nan 8.190 nan 0.000 0.450 5234 V N 0.681 120.630 119.914 0.058 0.000 2.255 5234 V HA -0.087 4.038 4.120 0.008 0.000 0.243 5234 V C 2.702 178.867 176.094 0.119 0.000 1.038 5234 V CA 2.068 64.397 62.300 0.048 0.000 1.008 5234 V CB -1.559 30.257 31.823 -0.012 0.000 0.645 5234 V HN 0.563 nan 8.190 nan 0.000 0.449 5235 G N 0.373 109.240 108.800 0.111 0.000 2.513 5235 G HA2 -0.240 3.724 3.960 0.008 0.000 0.219 5235 G HA3 -0.240 3.724 3.960 0.008 0.000 0.219 5235 G C 1.657 176.698 174.900 0.236 0.000 1.160 5235 G CA 1.204 46.412 45.100 0.181 0.000 0.767 5235 G HN 0.613 nan 8.290 nan 0.000 0.571 5236 G N -0.101 108.776 108.800 0.128 0.000 2.469 5236 G HA2 -0.234 3.731 3.960 0.008 0.000 0.220 5236 G HA3 -0.234 3.731 3.960 0.008 0.000 0.220 5236 G C 1.587 176.510 174.900 0.039 0.000 1.136 5236 G CA 1.398 46.511 45.100 0.020 0.000 0.759 5236 G HN 0.562 nan 8.290 nan 0.000 0.562 5237 H N -0.035 119.058 119.070 0.038 0.000 2.395 5237 H HA 0.160 4.721 4.556 0.008 0.000 0.299 5237 H C 2.619 177.999 175.328 0.087 0.000 1.070 5237 H CA 0.972 57.046 56.048 0.044 0.000 1.356 5237 H CB -0.055 29.718 29.762 0.019 0.000 1.401 5237 H HN 0.310 nan 8.280 nan 0.000 0.524 5238 I N -0.936 119.759 120.570 0.209 0.000 2.208 5238 I HA -0.306 3.869 4.170 0.008 0.000 0.245 5238 I C 1.401 177.589 176.117 0.119 0.000 1.097 5238 I CA 1.195 62.572 61.300 0.129 0.000 1.363 5238 I CB -0.304 37.747 38.000 0.085 0.000 1.051 5238 I HN 0.369 nan 8.210 nan 0.000 0.413 5239 W N 0.384 121.703 121.300 0.032 0.000 2.982 5239 W HA -0.065 4.601 4.660 0.009 0.000 0.239 5239 W C 2.029 178.551 176.519 0.004 0.000 1.303 5239 W CA 0.099 57.463 57.345 0.031 0.000 1.448 5239 W CB 0.225 29.683 29.460 -0.003 0.000 1.133 5239 W HN 0.100 nan 8.180 nan 0.000 0.698 5240 I N -1.557 119.130 120.570 0.195 0.000 2.899 5240 I HA 0.102 4.277 4.170 0.008 0.000 0.257 5240 I C 2.493 178.674 176.117 0.108 0.000 1.115 5240 I CA 1.305 62.671 61.300 0.110 0.000 1.451 5240 I CB -1.399 36.593 38.000 -0.013 0.000 1.251 5240 I HN -0.017 nan 8.210 nan 0.000 0.456 5241 G N 1.842 110.700 108.800 0.097 0.000 2.446 5241 G HA2 -0.187 3.778 3.960 0.008 0.000 0.217 5241 G HA3 -0.187 3.778 3.960 0.008 0.000 0.217 5241 G C 1.419 176.364 174.900 0.075 0.000 1.168 5241 G CA 0.285 45.438 45.100 0.088 0.000 0.771 5241 G HN 0.357 nan 8.290 nan 0.000 0.551 5242 L N 0.428 121.680 121.223 0.048 0.000 2.869 5242 L HA 0.240 4.585 4.340 0.008 0.000 0.259 5242 L C 1.352 178.254 176.870 0.052 0.000 1.162 5242 L CA 0.172 55.016 54.840 0.008 0.000 0.975 5242 L CB -0.441 41.558 42.059 -0.099 0.000 1.217 5242 L HN 0.322 nan 8.230 nan 0.000 0.418 5243 I N -3.733 116.897 120.570 0.101 0.000 4.578 5243 I HA -0.126 4.049 4.170 0.008 0.000 0.296 5243 I C 1.892 178.070 176.117 0.102 0.000 1.136 5243 I CA 0.097 61.476 61.300 0.131 0.000 1.344 5243 I CB 0.166 38.297 38.000 0.217 0.000 1.712 5243 I HN 0.120 nan 8.210 nan 0.000 0.460 5244 C N 1.836 121.198 119.300 0.103 0.000 2.440 5244 C HA -0.008 4.457 4.460 0.008 0.000 0.278 5244 C C 2.625 177.679 174.990 0.105 0.000 1.295 5244 C CA 1.034 60.113 59.018 0.100 0.000 1.738 5244 C CB -0.620 27.178 27.740 0.095 0.000 1.987 5244 C HN 0.346 nan 8.230 nan 0.000 0.492 5245 I N 0.730 121.359 120.570 0.098 0.000 2.584 5245 I HA -0.025 4.150 4.170 0.008 0.000 0.255 5245 I C 2.673 178.847 176.117 0.096 0.000 1.145 5245 I CA 1.118 62.478 61.300 0.101 0.000 1.462 5245 I CB -0.583 37.472 38.000 0.091 0.000 1.102 5245 I HN 0.236 nan 8.210 nan 0.000 0.433 5246 A N 1.156 124.026 122.820 0.083 0.000 2.019 5246 A HA -0.077 4.248 4.320 0.008 0.000 0.219 5246 A C 2.349 179.984 177.584 0.085 0.000 1.164 5246 A CA 1.852 53.937 52.037 0.080 0.000 0.644 5246 A CB -1.041 17.997 19.000 0.063 0.000 0.805 5246 A HN 0.465 nan 8.150 nan 0.000 0.449 5247 G N -0.966 107.876 108.800 0.070 0.000 2.459 5247 G HA2 0.198 4.163 3.960 0.008 0.000 0.213 5247 G HA3 0.198 4.163 3.960 0.008 0.000 0.213 5247 G C 1.463 176.445 174.900 0.136 0.000 1.155 5247 G CA 0.914 46.039 45.100 0.042 0.000 0.811 5247 G HN 0.634 nan 8.290 nan 0.000 0.534 5248 G N 0.894 109.786 108.800 0.154 0.000 2.462 5248 G HA2 -0.137 3.828 3.960 0.008 0.000 0.220 5248 G HA3 -0.137 3.828 3.960 0.008 0.000 0.220 5248 G C 1.565 176.534 174.900 0.116 0.000 1.121 5248 G CA 0.965 46.156 45.100 0.153 0.000 0.758 5248 G HN 0.358 nan 8.290 nan 0.000 0.559 5249 I N -0.802 119.838 120.570 0.116 0.000 2.364 5249 I HA 0.073 4.248 4.170 0.008 0.000 0.241 5249 I C 2.297 178.469 176.117 0.093 0.000 1.082 5249 I CA -0.049 61.306 61.300 0.093 0.000 1.401 5249 I CB -0.683 37.374 38.000 0.096 0.000 1.126 5249 I HN 0.375 nan 8.210 nan 0.000 0.429 5250 W N 1.580 122.822 121.300 -0.096 0.000 2.303 5250 W HA -0.288 4.377 4.660 0.009 0.000 0.287 5250 W C 2.121 178.529 176.519 -0.185 0.000 1.213 5250 W CA 1.928 59.179 57.345 -0.156 0.000 1.203 5250 W CB -0.506 28.807 29.460 -0.245 0.000 1.136 5250 W HN 0.343 nan 8.180 nan 0.000 0.547 5251 H N -0.250 118.932 119.070 0.188 0.000 2.431 5251 H HA 0.065 4.626 4.556 0.008 0.000 0.295 5251 H C 2.284 177.546 175.328 -0.111 0.000 1.038 5251 H CA 1.533 57.611 56.048 0.051 0.000 1.360 5251 H CB -0.489 29.300 29.762 0.046 0.000 1.433 5251 H HN 0.215 nan 8.280 nan 0.000 0.536 5252 I N 0.946 121.496 120.570 -0.033 0.000 3.176 5252 I HA -0.120 4.055 4.170 0.008 0.000 0.275 5252 I C 1.014 177.073 176.117 -0.097 0.000 1.298 5252 I CA 0.777 61.985 61.300 -0.153 0.000 1.445 5252 I CB 0.050 37.941 38.000 -0.180 0.000 1.075 5252 I HN 0.063 nan 8.210 nan 0.000 0.482 5253 L N -0.050 121.110 121.223 -0.105 0.000 2.857 5253 L HA 0.274 4.619 4.340 0.008 0.000 0.249 5253 L C -0.100 176.640 176.870 -0.216 0.000 1.172 5253 L CA 0.065 54.819 54.840 -0.145 0.000 0.980 5253 L CB 0.083 42.053 42.059 -0.148 0.000 1.299 5253 L HN 0.160 nan 8.230 nan 0.000 0.535 5254 T N -2.830 111.611 114.554 -0.189 0.000 2.665 5254 T HA 0.406 4.761 4.350 0.008 0.000 0.303 5254 T C -0.607 174.066 174.700 -0.045 0.000 1.334 5254 T CA -0.525 61.470 62.100 -0.174 0.000 1.011 5254 T CB 2.449 71.108 68.868 -0.348 0.000 1.573 5254 T HN -0.263 nan 8.240 nan 0.000 0.492 5255 T N 2.144 116.705 114.554 0.013 0.000 2.900 5255 T HA 0.622 4.976 4.350 0.008 0.000 0.295 5255 T C -2.770 172.026 174.700 0.159 0.000 1.044 5255 T CA -1.138 60.985 62.100 0.037 0.000 0.995 5255 T CB 1.593 70.440 68.868 -0.035 0.000 1.072 5255 T HN 0.318 nan 8.240 nan 0.000 0.473 5256 P HA 0.094 nan 4.420 nan 0.000 0.261 5256 P C -0.228 177.195 177.300 0.206 0.000 1.173 5256 P CA 0.014 63.171 63.100 0.096 0.000 0.760 5256 P CB 0.182 31.923 31.700 0.067 0.000 0.783 5257 F N 1.353 121.206 119.950 -0.161 0.000 2.313 5257 F HA 0.169 4.701 4.527 0.009 0.000 0.288 5257 F C 2.173 177.888 175.800 -0.142 0.000 1.274 5257 F CA -0.084 57.848 58.000 -0.113 0.000 1.241 5257 F CB -1.331 37.671 39.000 0.003 0.000 1.409 5257 F HN 0.371 nan 8.300 nan 0.000 0.511 5258 G N 0.625 109.577 108.800 0.254 0.000 2.511 5258 G HA2 -0.246 3.719 3.960 0.008 0.000 0.216 5258 G HA3 -0.246 3.719 3.960 0.008 0.000 0.216 5258 G C 1.380 176.429 174.900 0.249 0.000 1.218 5258 G CA 0.935 46.170 45.100 0.224 0.000 0.788 5258 G HN 0.756 nan 8.290 nan 0.000 0.560 5259 W N 1.446 122.891 121.300 0.242 0.000 2.338 5259 W HA 0.020 4.684 4.660 0.007 0.000 0.304 5259 W C 2.421 179.115 176.519 0.292 0.000 1.212 5259 W CA 1.433 58.904 57.345 0.211 0.000 1.264 5259 W CB -1.544 28.021 29.460 0.175 0.000 1.142 5259 W HN 0.362 nan 8.180 nan 0.000 0.512 5260 A N 1.916 124.488 122.820 -0.413 0.000 1.903 5260 A HA -0.254 4.071 4.320 0.008 0.000 0.219 5260 A C 2.268 180.188 177.584 0.559 0.000 1.191 5260 A CA 2.690 54.668 52.037 -0.098 0.000 0.638 5260 A CB -0.955 17.771 19.000 -0.456 0.000 0.823 5260 A HN 0.399 nan 8.150 nan 0.000 0.451 5261 R N -1.114 119.622 120.500 0.393 0.000 2.062 5261 R HA -0.015 4.329 4.340 0.008 0.000 0.229 5261 R C 1.877 178.492 176.300 0.524 0.000 1.128 5261 R CA 1.371 57.773 56.100 0.502 0.000 0.960 5261 R CB -0.239 30.088 30.300 0.045 0.000 0.855 5261 R HN 0.371 nan 8.270 nan 0.000 0.432 5262 R N 0.242 120.931 120.500 0.315 0.000 2.340 5262 R HA 0.082 4.427 4.340 0.008 0.000 0.215 5262 R C 1.164 177.574 176.300 0.183 0.000 1.017 5262 R CA 0.537 56.779 56.100 0.237 0.000 1.111 5262 R CB 0.232 30.644 30.300 0.187 0.000 1.049 5262 R HN 0.239 nan 8.270 nan 0.000 0.490 5263 A N -0.234 122.696 122.820 0.183 0.000 1.993 5263 A HA 0.301 4.626 4.320 0.008 0.000 0.202 5263 A C 0.234 177.610 177.584 -0.346 0.000 1.461 5263 A CA 0.029 51.979 52.037 -0.144 0.000 0.824 5263 A CB 0.236 19.028 19.000 -0.346 0.000 1.024 5263 A HN 0.116 nan 8.150 nan 0.000 0.507 5264 F N -0.393 119.510 119.950 -0.078 0.000 2.408 5264 F HA 0.605 5.137 4.527 0.008 0.000 0.325 5264 F C -0.011 175.565 175.800 -0.374 0.000 1.082 5264 F CA -1.060 56.724 58.000 -0.360 0.000 1.032 5264 F CB 0.666 39.164 39.000 -0.835 0.000 1.259 5264 F HN -0.079 nan 8.300 nan 0.000 0.503 5265 I N 1.267 121.776 120.570 -0.102 0.000 2.325 5265 I HA 0.091 4.266 4.170 0.008 0.000 0.291 5265 I C -1.131 174.792 176.117 -0.323 0.000 1.019 5265 I CA -0.963 60.276 61.300 -0.102 0.000 1.302 5265 I CB 0.380 38.329 38.000 -0.086 0.000 1.401 5265 I HN 0.394 nan 8.210 nan 0.000 0.485 5266 W N 6.585 127.885 121.300 -0.000 0.000 2.085 5266 W HA 0.528 5.195 4.660 0.011 0.000 0.392 5266 W C 0.559 176.939 176.519 -0.232 0.000 0.862 5266 W CA -0.343 56.986 57.345 -0.027 0.000 1.542 5266 W CB 0.416 30.014 29.460 0.230 0.000 1.672 5266 W HN 0.433 nan 8.180 nan 0.000 0.309 5267 S N 0.475 115.761 115.700 -0.691 0.000 2.569 5267 S HA 0.633 5.108 4.470 0.008 0.000 0.280 5267 S C 1.196 175.230 174.600 -0.944 0.000 1.111 5267 S CA -0.101 57.782 58.200 -0.527 0.000 0.887 5267 S CB 1.282 64.241 63.200 -0.401 0.000 1.095 5267 S HN 0.460 nan 8.310 nan 0.000 0.476 5268 G N 1.866 110.158 108.800 -0.845 0.000 2.459 5268 G HA2 -0.222 3.743 3.960 0.008 0.000 0.217 5268 G HA3 -0.222 3.743 3.960 0.008 0.000 0.217 5268 G C 1.066 175.402 174.900 -0.940 0.000 1.183 5268 G CA 1.337 45.533 45.100 -1.506 0.000 0.776 5268 G HN 0.885 nan 8.290 nan 0.000 0.552 5269 E N 0.573 120.342 120.200 -0.718 0.000 2.058 5269 E HA -0.073 4.282 4.350 0.008 0.000 0.194 5269 E C 2.720 178.935 176.600 -0.642 0.000 0.997 5269 E CA 1.324 57.370 56.400 -0.590 0.000 0.801 5269 E CB -0.364 29.072 29.700 -0.440 0.000 0.746 5269 E HN 0.333 nan 8.360 nan 0.000 0.450 5270 A N 0.059 122.446 122.820 -0.723 0.000 1.902 5270 A HA -0.186 4.139 4.320 0.008 0.000 0.217 5270 A C 1.923 178.750 177.584 -1.262 0.000 1.181 5270 A CA 1.559 53.047 52.037 -0.915 0.000 0.623 5270 A CB -0.974 17.568 19.000 -0.764 0.000 0.818 5270 A HN 0.455 nan 8.150 nan 0.000 0.443 5271 Y N -0.594 119.327 120.300 -0.632 0.000 2.207 5271 Y HA -0.161 4.394 4.550 0.009 0.000 0.287 5271 Y C 2.203 177.850 175.900 -0.422 0.000 1.156 5271 Y CA 0.968 58.827 58.100 -0.401 0.000 1.182 5271 Y CB -0.988 37.342 38.460 -0.216 0.000 0.979 5271 Y HN 0.343 nan 8.280 nan 0.000 0.521 5272 L N 0.347 121.355 121.223 -0.357 0.000 1.955 5272 L HA -0.265 4.080 4.340 0.008 0.000 0.213 5272 L C 2.669 179.351 176.870 -0.313 0.000 1.072 5272 L CA 2.355 57.014 54.840 -0.302 0.000 0.755 5272 L CB -1.463 40.349 42.059 -0.411 0.000 0.888 5272 L HN 0.343 nan 8.230 nan 0.000 0.432 5273 S N -0.688 114.730 115.700 -0.470 0.000 2.401 5273 S HA -0.378 4.097 4.470 0.008 0.000 0.236 5273 S C 2.025 176.463 174.600 -0.270 0.000 1.058 5273 S CA 2.160 60.087 58.200 -0.454 0.000 1.151 5273 S CB -1.654 61.149 63.200 -0.662 0.000 1.049 5273 S HN 0.569 nan 8.310 nan 0.000 0.432 5274 Y N 2.390 122.636 120.300 -0.089 0.000 2.151 5274 Y HA -0.052 4.502 4.550 0.006 0.000 0.284 5274 Y C 3.160 179.103 175.900 0.071 0.000 1.166 5274 Y CA 0.742 58.862 58.100 0.034 0.000 1.163 5274 Y CB -1.436 37.035 38.460 0.019 0.000 0.974 5274 Y HN 0.315 nan 8.280 nan 0.000 0.511 5275 S N -0.207 115.587 115.700 0.156 0.000 2.481 5275 S HA -0.044 4.431 4.470 0.008 0.000 0.231 5275 S C 2.028 176.685 174.600 0.095 0.000 0.996 5275 S CA 0.554 58.822 58.200 0.114 0.000 0.942 5275 S CB -0.398 62.841 63.200 0.066 0.000 0.768 5275 S HN 0.348 nan 8.310 nan 0.000 0.520 5276 L N 0.993 122.249 121.223 0.056 0.000 2.023 5276 L HA 0.010 4.355 4.340 0.008 0.000 0.205 5276 L C 2.724 179.698 176.870 0.173 0.000 1.073 5276 L CA 1.189 56.043 54.840 0.024 0.000 0.745 5276 L CB -0.950 41.069 42.059 -0.066 0.000 0.900 5276 L HN 0.424 nan 8.230 nan 0.000 0.435 5277 G N -0.724 108.268 108.800 0.320 0.000 2.442 5277 G HA2 -0.281 3.684 3.960 0.008 0.000 0.219 5277 G HA3 -0.281 3.684 3.960 0.008 0.000 0.219 5277 G C 1.683 176.696 174.900 0.188 0.000 1.141 5277 G CA 0.854 46.117 45.100 0.271 0.000 0.763 5277 G HN 0.495 nan 8.290 nan 0.000 0.554 5278 A N 1.102 124.043 122.820 0.202 0.000 1.842 5278 A HA -0.088 4.237 4.320 0.008 0.000 0.217 5278 A C 2.441 180.122 177.584 0.162 0.000 1.206 5278 A CA 1.684 53.822 52.037 0.168 0.000 0.630 5278 A CB -0.769 18.324 19.000 0.156 0.000 0.839 5278 A HN 0.334 nan 8.150 nan 0.000 0.447 5279 L N -0.604 120.728 121.223 0.181 0.000 1.963 5279 L HA -0.275 4.070 4.340 0.008 0.000 0.220 5279 L C 2.935 179.883 176.870 0.130 0.000 1.076 5279 L CA 2.105 57.056 54.840 0.185 0.000 0.772 5279 L CB -1.087 41.159 42.059 0.312 0.000 0.892 5279 L HN 0.603 nan 8.230 nan 0.000 0.435 5280 S N -0.218 115.594 115.700 0.187 0.000 2.378 5280 S HA -0.344 4.131 4.470 0.008 0.000 0.229 5280 S C 2.078 176.655 174.600 -0.040 0.000 1.052 5280 S CA 2.353 60.563 58.200 0.018 0.000 1.084 5280 S CB -0.344 62.927 63.200 0.119 0.000 0.950 5280 S HN 0.405 nan 8.310 nan 0.000 0.440 5281 M N -0.029 119.649 119.600 0.131 0.000 2.108 5281 M HA -0.139 4.345 4.480 0.008 0.000 0.261 5281 M C 2.133 178.567 176.300 0.224 0.000 1.066 5281 M CA 1.969 57.408 55.300 0.231 0.000 1.107 5281 M CB -0.243 32.464 32.600 0.179 0.000 1.356 5281 M HN 0.458 nan 8.290 nan 0.000 0.406 5282 M N -0.678 119.016 119.600 0.156 0.000 2.200 5282 M HA -0.043 4.442 4.480 0.008 0.000 0.265 5282 M C 2.179 178.553 176.300 0.123 0.000 1.066 5282 M CA 1.446 56.846 55.300 0.165 0.000 1.127 5282 M CB -0.874 31.806 32.600 0.133 0.000 1.379 5282 M HN 0.501 nan 8.290 nan 0.000 0.420 5283 G N 0.107 108.896 108.800 -0.019 0.000 2.485 5283 G HA2 -0.216 3.749 3.960 0.008 0.000 0.221 5283 G HA3 -0.216 3.749 3.960 0.008 0.000 0.221 5283 G C 1.135 175.966 174.900 -0.115 0.000 1.115 5283 G CA 0.925 45.944 45.100 -0.135 0.000 0.751 5283 G HN 0.297 nan 8.290 nan 0.000 0.567 5284 F N 0.521 120.531 119.950 0.100 0.000 2.147 5284 F HA 0.237 4.775 4.527 0.019 0.000 0.291 5284 F C 2.633 178.558 175.800 0.209 0.000 1.093 5284 F CA 0.059 58.139 58.000 0.133 0.000 1.263 5284 F CB -0.569 38.480 39.000 0.082 0.000 1.036 5284 F HN 0.017 nan 8.300 nan 0.000 0.481 5285 I N 0.156 120.977 120.570 0.419 0.000 2.381 5285 I HA -0.349 3.826 4.170 0.008 0.000 0.255 5285 I C 2.419 178.811 176.117 0.459 0.000 1.140 5285 I CA 1.272 62.841 61.300 0.449 0.000 1.404 5285 I CB -0.820 37.459 38.000 0.465 0.000 1.075 5285 I HN 0.134 nan 8.210 nan 0.000 0.433 5286 A N 0.165 123.182 122.820 0.329 0.000 1.878 5286 A HA -0.094 4.231 4.320 0.008 0.000 0.213 5286 A C 2.371 180.104 177.584 0.248 0.000 1.192 5286 A CA 1.654 53.851 52.037 0.268 0.000 0.619 5286 A CB -0.884 18.202 19.000 0.144 0.000 0.837 5286 A HN 0.305 nan 8.150 nan 0.000 0.446 5287 T N -0.700 114.004 114.554 0.249 0.000 2.803 5287 T HA -0.193 4.162 4.350 0.008 0.000 0.269 5287 T C 1.837 176.703 174.700 0.276 0.000 1.052 5287 T CA 1.672 63.917 62.100 0.241 0.000 1.136 5287 T CB -0.589 68.490 68.868 0.352 0.000 0.864 5287 T HN 0.542 nan 8.240 nan 0.000 0.467 5288 C N 0.059 119.577 119.300 0.363 0.000 2.457 5288 C HA 0.132 4.597 4.460 0.008 0.000 0.278 5288 C C 2.290 177.531 174.990 0.418 0.000 1.309 5288 C CA -0.206 59.075 59.018 0.439 0.000 1.735 5288 C CB -1.331 26.634 27.740 0.374 0.000 1.992 5288 C HN 0.542 nan 8.230 nan 0.000 0.493 5289 F N 0.215 120.308 119.950 0.239 0.000 2.102 5289 F HA -0.139 4.393 4.527 0.007 0.000 0.298 5289 F C 2.358 178.102 175.800 -0.095 0.000 1.105 5289 F CA 1.748 59.847 58.000 0.164 0.000 1.239 5289 F CB -0.304 38.818 39.000 0.203 0.000 0.991 5289 F HN -0.005 nan 8.300 nan 0.000 0.474 5290 V N -0.511 119.327 119.914 -0.127 0.000 3.380 5290 V HA -0.212 3.913 4.120 0.008 0.000 0.268 5290 V C 1.389 177.323 176.094 -0.266 0.000 1.168 5290 V CA 1.004 62.887 62.300 -0.695 0.000 1.156 5290 V CB -0.303 31.148 31.823 -0.620 0.000 0.785 5290 V HN 0.605 nan 8.190 nan 0.000 0.487 5291 W N -1.710 119.436 121.300 -0.256 0.000 2.907 5291 W HA 0.061 4.729 4.660 0.013 0.000 0.271 5291 W C 1.425 177.663 176.519 -0.467 0.000 1.253 5291 W CA 0.234 57.369 57.345 -0.351 0.000 1.501 5291 W CB 0.413 29.657 29.460 -0.360 0.000 1.047 5291 W HN 0.374 nan 8.180 nan 0.000 0.610 5292 F N -0.070 119.850 119.950 -0.051 0.000 2.577 5292 F HA 0.185 4.716 4.527 0.005 0.000 0.276 5292 F C 0.790 176.547 175.800 -0.072 0.000 1.032 5292 F CA 0.012 57.955 58.000 -0.095 0.000 1.297 5292 F CB -0.894 38.093 39.000 -0.022 0.000 1.061 5292 F HN -0.391 nan 8.300 nan 0.000 0.680 5293 N N 0.841 119.613 118.700 0.119 0.000 2.513 5293 N HA 0.008 4.753 4.740 0.008 0.000 0.268 5293 N C 0.699 176.333 175.510 0.207 0.000 1.180 5293 N CA 0.317 53.458 53.050 0.152 0.000 0.948 5293 N CB 0.392 38.992 38.487 0.188 0.000 1.083 5293 N HN -0.066 nan 8.380 nan 0.000 0.455 5294 N N 1.072 119.923 118.700 0.252 0.000 2.414 5294 N HA 0.040 4.785 4.740 0.008 0.000 0.177 5294 N C 0.612 176.278 175.510 0.260 0.000 1.062 5294 N CA 0.613 53.803 53.050 0.234 0.000 0.890 5294 N CB 0.289 38.917 38.487 0.236 0.000 1.070 5294 N HN 0.542 nan 8.380 nan 0.000 0.454 5295 T N 0.600 115.380 114.554 0.377 0.000 2.668 5295 T HA -0.072 4.283 4.350 0.008 0.000 0.258 5295 T C 1.729 176.603 174.700 0.290 0.000 1.051 5295 T CA 1.753 64.096 62.100 0.404 0.000 1.155 5295 T CB -0.452 68.689 68.868 0.455 0.000 0.864 5295 T HN 0.172 nan 8.240 nan 0.000 0.413 5296 V N -1.602 118.472 119.914 0.267 0.000 3.636 5296 V HA 0.263 4.388 4.120 0.008 0.000 0.279 5296 V C -0.334 175.635 176.094 -0.208 0.000 1.263 5296 V CA 0.273 62.610 62.300 0.061 0.000 1.182 5296 V CB -1.484 30.351 31.823 0.020 0.000 0.955 5296 V HN 0.497 nan 8.190 nan 0.000 0.443 5297 Y N -0.991 119.407 120.300 0.162 0.000 2.517 5297 Y HA 0.422 4.978 4.550 0.009 0.000 0.328 5297 Y C -1.766 174.259 175.900 0.209 0.000 1.130 5297 Y CA -1.900 56.269 58.100 0.115 0.000 1.280 5297 Y CB 1.327 39.614 38.460 -0.288 0.000 1.101 5297 Y HN 0.080 nan 8.280 nan 0.000 0.610 5298 P HA -0.408 nan 4.420 nan 0.000 0.229 5298 P C 1.263 178.532 177.300 -0.051 0.000 1.152 5298 P CA 3.229 66.309 63.100 -0.033 0.000 0.915 5298 P CB 0.247 31.585 31.700 -0.603 0.000 0.784 5299 S N -3.537 112.215 115.700 0.086 0.000 2.427 5299 S HA -0.261 4.214 4.470 0.008 0.000 0.253 5299 S C 1.148 175.717 174.600 -0.052 0.000 1.246 5299 S CA 1.539 59.741 58.200 0.003 0.000 1.421 5299 S CB -2.234 60.927 63.200 -0.066 0.000 1.769 5299 S HN 0.321 nan 8.310 nan 0.000 0.620 5300 E N -0.626 119.430 120.200 -0.239 0.000 2.276 5300 E HA 0.271 4.626 4.350 0.008 0.000 0.193 5300 E C 1.250 177.784 176.600 -0.110 0.000 0.983 5300 E CA 1.187 57.450 56.400 -0.228 0.000 0.861 5300 E CB -0.046 29.292 29.700 -0.603 0.000 0.817 5300 E HN 0.686 nan 8.360 nan 0.000 0.485 5301 F N -1.172 118.787 119.950 0.016 0.000 2.453 5301 F HA 0.213 4.745 4.527 0.008 0.000 0.284 5301 F C 0.641 176.416 175.800 -0.043 0.000 1.065 5301 F CA -0.254 57.676 58.000 -0.116 0.000 1.411 5301 F CB -0.650 38.150 39.000 -0.334 0.000 1.131 5301 F HN -0.132 nan 8.300 nan 0.000 0.582 5302 Y N 0.063 120.548 120.300 0.308 0.000 2.344 5302 Y HA 0.558 5.114 4.550 0.010 0.000 0.330 5302 Y C 1.345 177.335 175.900 0.150 0.000 1.330 5302 Y CA -0.873 57.377 58.100 0.251 0.000 1.479 5302 Y CB -0.338 38.219 38.460 0.161 0.000 1.428 5302 Y HN -0.023 nan 8.280 nan 0.000 0.544 5303 G N 0.440 109.324 108.800 0.140 0.000 2.489 5303 G HA2 0.361 4.325 3.960 0.008 0.000 0.271 5303 G HA3 0.361 4.325 3.960 0.008 0.000 0.271 5303 G C -2.621 171.993 174.900 -0.477 0.000 1.427 5303 G CA -1.197 43.652 45.100 -0.417 0.000 1.057 5303 G HN 0.394 nan 8.290 nan 0.000 0.532 5304 P HA 0.245 nan 4.420 nan 0.000 0.287 5304 P C -0.101 176.889 177.300 -0.517 0.000 1.270 5304 P CA -0.256 62.404 63.100 -0.732 0.000 0.844 5304 P CB 1.187 32.259 31.700 -1.045 0.000 1.068 5305 T N 1.527 115.814 114.554 -0.446 0.000 2.856 5305 T HA 0.063 4.418 4.350 0.008 0.000 0.329 5305 T C 1.970 176.252 174.700 -0.696 0.000 1.094 5305 T CA 0.757 62.535 62.100 -0.538 0.000 1.112 5305 T CB -0.100 68.570 68.868 -0.331 0.000 1.009 5305 T HN 0.586 nan 8.240 nan 0.000 0.550 5306 G N 2.055 110.265 108.800 -0.984 0.000 2.433 5306 G HA2 -0.117 3.847 3.960 0.008 0.000 0.216 5306 G HA3 -0.117 3.847 3.960 0.008 0.000 0.216 5306 G C -0.907 173.483 174.900 -0.850 0.000 1.186 5306 G CA 0.485 45.057 45.100 -0.880 0.000 0.779 5306 G HN 0.544 nan 8.290 nan 0.000 0.543 5307 P HA -0.016 nan 4.420 nan 0.000 0.217 5307 P C 1.575 178.364 177.300 -0.851 0.000 1.150 5307 P CA 1.363 63.680 63.100 -1.306 0.000 0.832 5307 P CB 0.049 31.341 31.700 -0.681 0.000 0.787 5308 E N -0.141 119.530 120.200 -0.881 0.000 2.070 5308 E HA -0.241 4.114 4.350 0.008 0.000 0.197 5308 E C 1.902 178.200 176.600 -0.504 0.000 1.004 5308 E CA 1.533 57.263 56.400 -1.118 0.000 0.805 5308 E CB -0.564 28.674 29.700 -0.770 0.000 0.744 5308 E HN 0.078 nan 8.360 nan 0.000 0.451 5309 A N 0.193 122.759 122.820 -0.424 0.000 1.930 5309 A HA -0.143 4.182 4.320 0.008 0.000 0.217 5309 A C 2.303 179.770 177.584 -0.195 0.000 1.175 5309 A CA 1.671 53.552 52.037 -0.260 0.000 0.627 5309 A CB -0.718 18.135 19.000 -0.244 0.000 0.815 5309 A HN 0.331 nan 8.150 nan 0.000 0.443 5310 S N -1.138 114.418 115.700 -0.239 0.000 2.423 5310 S HA -0.159 4.316 4.470 0.008 0.000 0.231 5310 S C 2.112 176.714 174.600 0.003 0.000 1.014 5310 S CA 1.385 59.551 58.200 -0.056 0.000 0.965 5310 S CB -0.335 62.921 63.200 0.094 0.000 0.785 5310 S HN 0.577 nan 8.310 nan 0.000 0.495 5311 Q N 0.730 120.507 119.800 -0.039 0.000 2.049 5311 Q HA 0.107 4.452 4.340 0.008 0.000 0.198 5311 Q C 2.569 178.545 176.000 -0.039 0.000 0.971 5311 Q CA 1.412 57.261 55.803 0.077 0.000 0.833 5311 Q CB -0.916 27.968 28.738 0.244 0.000 0.896 5311 Q HN 0.640 nan 8.270 nan 0.000 0.434 5312 A N 1.093 123.899 122.820 -0.022 0.000 2.076 5312 A HA -0.242 4.083 4.320 0.008 0.000 0.220 5312 A C 2.003 179.475 177.584 -0.186 0.000 1.160 5312 A CA 1.700 53.620 52.037 -0.195 0.000 0.653 5312 A CB -0.528 18.246 19.000 -0.377 0.000 0.801 5312 A HN 0.435 nan 8.150 nan 0.000 0.455 5313 Q N -0.814 118.924 119.800 -0.103 0.000 2.230 5313 Q HA -0.033 4.312 4.340 0.008 0.000 0.202 5313 Q C 2.085 178.135 176.000 0.083 0.000 0.963 5313 Q CA 1.140 56.957 55.803 0.023 0.000 0.866 5313 Q CB -0.245 28.539 28.738 0.077 0.000 0.931 5313 Q HN 0.641 nan 8.270 nan 0.000 0.452 5314 A N 0.466 123.201 122.820 -0.142 0.000 1.874 5314 A HA -0.147 4.178 4.320 0.008 0.000 0.214 5314 A C 1.972 179.367 177.584 -0.315 0.000 1.189 5314 A CA 1.205 53.099 52.037 -0.238 0.000 0.615 5314 A CB -0.530 18.117 19.000 -0.588 0.000 0.830 5314 A HN 0.484 nan 8.150 nan 0.000 0.443 5315 M N 0.257 119.528 119.600 -0.548 0.000 2.088 5315 M HA -0.166 4.319 4.480 0.008 0.000 0.256 5315 M C 2.025 178.273 176.300 -0.086 0.000 1.071 5315 M CA 2.690 57.897 55.300 -0.156 0.000 1.097 5315 M CB -1.177 31.433 32.600 0.018 0.000 1.315 5315 M HN 0.360 nan 8.290 nan 0.000 0.406 5316 T N -0.078 114.368 114.554 -0.180 0.000 2.699 5316 T HA -0.162 4.193 4.350 0.008 0.000 0.268 5316 T C 1.363 175.827 174.700 -0.393 0.000 1.036 5316 T CA 1.957 63.866 62.100 -0.319 0.000 1.147 5316 T CB -0.482 68.122 68.868 -0.440 0.000 0.862 5316 T HN 0.385 nan 8.240 nan 0.000 0.446 5317 F N -0.023 119.913 119.950 -0.024 0.000 2.698 5317 F HA 0.364 4.896 4.527 0.008 0.000 0.295 5317 F C 1.839 177.675 175.800 0.059 0.000 1.124 5317 F CA -0.214 57.812 58.000 0.043 0.000 1.426 5317 F CB -0.237 38.818 39.000 0.092 0.000 1.120 5317 F HN 0.060 nan 8.300 nan 0.000 0.583 5318 L N -0.294 121.047 121.223 0.198 0.000 2.156 5318 L HA -0.112 4.233 4.340 0.008 0.000 0.208 5318 L C 1.948 178.768 176.870 -0.084 0.000 1.095 5318 L CA 1.376 56.237 54.840 0.035 0.000 0.770 5318 L CB -0.185 42.031 42.059 0.262 0.000 0.914 5318 L HN 0.089 nan 8.230 nan 0.000 0.439 5319 I N -0.597 119.952 120.570 -0.035 0.000 2.206 5319 I HA -0.222 3.953 4.170 0.008 0.000 0.239 5319 I C 2.725 178.787 176.117 -0.091 0.000 1.078 5319 I CA 0.938 62.197 61.300 -0.069 0.000 1.367 5319 I CB -0.443 37.508 38.000 -0.082 0.000 1.078 5319 I HN 0.231 nan 8.210 nan 0.000 0.413 5320 R N 1.061 121.495 120.500 -0.111 0.000 2.103 5320 R HA -0.235 4.110 4.340 0.008 0.000 0.242 5320 R C 1.683 177.965 176.300 -0.031 0.000 1.142 5320 R CA 2.337 58.383 56.100 -0.089 0.000 0.960 5320 R CB -0.219 29.999 30.300 -0.137 0.000 0.858 5320 R HN 0.330 nan 8.270 nan 0.000 0.439 5321 D N -0.428 119.961 120.400 -0.018 0.000 2.162 5321 D HA -0.136 4.509 4.640 0.008 0.000 0.203 5321 D C 1.819 178.059 176.300 -0.100 0.000 0.967 5321 D CA 0.807 54.788 54.000 -0.030 0.000 0.840 5321 D CB -0.102 40.684 40.800 -0.023 0.000 0.972 5321 D HN 0.345 nan 8.370 nan 0.000 0.482 5322 Q N 0.766 120.473 119.800 -0.155 0.000 2.016 5322 Q HA -0.116 4.229 4.340 0.008 0.000 0.200 5322 Q C 1.093 177.052 176.000 -0.068 0.000 0.978 5322 Q CA 1.024 56.752 55.803 -0.125 0.000 0.833 5322 Q CB 0.050 28.715 28.738 -0.122 0.000 0.895 5322 Q HN -0.000 nan 8.270 nan 0.000 0.427 5323 K N 0.508 120.872 120.400 -0.060 0.000 2.989 5323 K HA -0.005 4.320 4.320 0.008 0.000 0.264 5323 K C -0.289 176.292 176.600 -0.031 0.000 1.228 5323 K CA 0.127 56.389 56.287 -0.042 0.000 1.186 5323 K CB -0.170 32.301 32.500 -0.048 0.000 1.409 5323 K HN 0.272 nan 8.250 nan 0.000 0.271 5324 L N -1.002 120.205 121.223 -0.025 0.000 5.620 5324 L HA 0.151 4.496 4.340 0.008 0.000 0.568 5324 L C 0.345 177.212 176.870 -0.006 0.000 0.669 5324 L CA 1.032 55.866 54.840 -0.011 0.000 2.361 5324 L CB 0.219 42.277 42.059 -0.001 0.000 1.820 5324 L HN 0.448 nan 8.230 nan 0.000 0.571 5325 G N 0.008 108.800 108.800 -0.013 0.000 2.481 5325 G HA2 0.063 4.027 3.960 0.008 0.000 0.200 5325 G HA3 0.063 4.027 3.960 0.008 0.000 0.200 5325 G C 0.609 175.505 174.900 -0.007 0.000 1.012 5325 G CA -0.004 45.093 45.100 -0.006 0.000 0.676 5325 G HN 1.056 nan 8.290 nan 0.000 0.488 5326 A N 0.272 123.082 122.820 -0.017 0.000 2.466 5326 A HA 0.538 4.863 4.320 0.008 0.000 0.238 5326 A C 0.419 177.982 177.584 -0.035 0.000 1.074 5326 A CA 0.514 52.541 52.037 -0.017 0.000 0.774 5326 A CB 0.146 19.118 19.000 -0.047 0.000 1.015 5326 A HN 0.337 nan 8.150 nan 0.000 0.498 5327 N N 1.810 120.511 118.700 0.002 0.000 3.112 5327 N HA 0.193 4.938 4.740 0.008 0.000 0.270 5327 N C 1.435 176.964 175.510 0.033 0.000 1.385 5327 N CA 0.342 53.396 53.050 0.008 0.000 0.986 5327 N CB 0.965 39.467 38.487 0.025 0.000 1.261 5327 N HN 0.590 nan 8.380 nan 0.000 0.495 5328 V N -0.237 119.658 119.914 -0.032 0.000 2.357 5328 V HA -0.257 3.868 4.120 0.008 0.000 0.257 5328 V C 2.077 178.269 176.094 0.162 0.000 1.082 5328 V CA 2.396 64.718 62.300 0.037 0.000 1.078 5328 V CB -1.246 30.501 31.823 -0.126 0.000 0.663 5328 V HN 0.386 nan 8.190 nan 0.000 0.455 5329 G N -0.482 108.368 108.800 0.084 0.000 2.432 5329 G HA2 -0.173 3.791 3.960 0.008 0.000 0.219 5329 G HA3 -0.173 3.791 3.960 0.008 0.000 0.219 5329 G C 1.591 176.539 174.900 0.079 0.000 1.135 5329 G CA 1.152 46.298 45.100 0.076 0.000 0.767 5329 G HN 0.657 nan 8.290 nan 0.000 0.550 5330 S N 0.261 116.009 115.700 0.080 0.000 2.503 5330 S HA 0.480 4.955 4.470 0.008 0.000 0.215 5330 S C 1.329 175.980 174.600 0.085 0.000 1.003 5330 S CA 0.089 58.329 58.200 0.066 0.000 0.910 5330 S CB 0.358 63.587 63.200 0.048 0.000 0.790 5330 S HN 0.615 nan 8.310 nan 0.000 0.514 5331 A N 2.360 125.267 122.820 0.144 0.000 2.573 5331 A HA 0.103 4.428 4.320 0.008 0.000 0.250 5331 A C 0.275 177.903 177.584 0.074 0.000 1.049 5331 A CA 0.341 52.478 52.037 0.167 0.000 0.767 5331 A CB -0.129 19.112 19.000 0.402 0.000 0.965 5331 A HN 0.445 nan 8.150 nan 0.000 0.514 5332 Q N 2.804 122.622 119.800 0.030 0.000 2.322 5332 Q HA 0.521 4.865 4.340 0.008 0.000 0.265 5332 Q C 0.276 176.251 176.000 -0.041 0.000 0.985 5332 Q CA -0.302 55.495 55.803 -0.008 0.000 0.849 5332 Q CB 1.429 30.167 28.738 0.001 0.000 1.274 5332 Q HN 0.867 nan 8.270 nan 0.000 0.449 5333 G N 3.214 111.972 108.800 -0.071 0.000 2.557 5333 G HA2 0.284 4.249 3.960 0.008 0.000 0.292 5333 G HA3 0.284 4.249 3.960 0.008 0.000 0.292 5333 G C -1.770 173.094 174.900 -0.060 0.000 1.237 5333 G CA -1.306 43.741 45.100 -0.088 0.000 0.978 5333 G HN 0.607 nan 8.290 nan 0.000 0.498 5334 P HA -0.169 nan 4.420 nan 0.000 0.218 5334 P C 1.768 179.045 177.300 -0.038 0.000 1.147 5334 P CA 2.399 65.471 63.100 -0.046 0.000 0.827 5334 P CB 0.139 31.808 31.700 -0.051 0.000 0.778 5335 T N -7.038 107.492 114.554 -0.041 0.000 3.022 5335 T HA 0.419 4.774 4.350 0.008 0.000 0.250 5335 T C 1.401 176.082 174.700 -0.031 0.000 1.060 5335 T CA 0.417 62.497 62.100 -0.034 0.000 1.013 5335 T CB 0.020 68.867 68.868 -0.035 0.000 0.982 5335 T HN 0.217 nan 8.240 nan 0.000 0.508 5336 G N 1.030 109.810 108.800 -0.032 0.000 2.138 5336 G HA2 -0.161 3.804 3.960 0.008 0.000 0.193 5336 G HA3 -0.161 3.804 3.960 0.008 0.000 0.193 5336 G C 0.467 175.351 174.900 -0.028 0.000 0.998 5336 G CA 0.144 45.228 45.100 -0.026 0.000 0.668 5336 G HN 0.492 nan 8.290 nan 0.000 0.516 5337 L N 0.266 121.469 121.223 -0.034 0.000 2.556 5337 L HA 0.492 4.837 4.340 0.008 0.000 0.226 5337 L C 1.455 178.307 176.870 -0.031 0.000 1.089 5337 L CA 0.725 55.545 54.840 -0.033 0.000 0.864 5337 L CB 0.344 42.381 42.059 -0.036 0.000 1.067 5337 L HN 1.138 nan 8.230 nan 0.000 0.477 5338 G N 0.992 109.766 108.800 -0.044 0.000 3.436 5338 G HA2 -0.190 3.775 3.960 0.008 0.000 0.685 5338 G HA3 -0.190 3.775 3.960 0.008 0.000 0.685 5338 G C 0.254 175.088 174.900 -0.110 0.000 1.039 5338 G CA -0.251 44.822 45.100 -0.045 0.000 0.879 5338 G HN 0.159 nan 8.290 nan 0.000 0.478 5339 K N 1.341 121.584 120.400 -0.261 0.000 2.000 5339 K HA -0.235 4.090 4.320 0.008 0.000 0.218 5339 K C 1.868 178.197 176.600 -0.452 0.000 1.053 5339 K CA 2.479 58.463 56.287 -0.505 0.000 0.946 5339 K CB -0.156 31.729 32.500 -1.024 0.000 0.723 5339 K HN 0.690 nan 8.250 nan 0.000 0.446 5340 Y N 0.110 120.473 120.300 0.105 0.000 2.347 5340 Y HA 0.187 4.742 4.550 0.009 0.000 0.294 5340 Y C 0.903 176.941 175.900 0.228 0.000 1.117 5340 Y CA 0.102 58.311 58.100 0.181 0.000 1.184 5340 Y CB 0.140 38.707 38.460 0.179 0.000 1.047 5340 Y HN -0.116 nan 8.280 nan 0.000 0.546 5341 L N 1.123 122.498 121.223 0.252 0.000 2.431 5341 L HA 0.562 4.907 4.340 0.008 0.000 0.266 5341 L C -0.522 176.393 176.870 0.073 0.000 0.978 5341 L CA -0.880 54.057 54.840 0.162 0.000 0.822 5341 L CB 2.299 44.433 42.059 0.126 0.000 1.310 5341 L HN 0.079 nan 8.230 nan 0.000 0.409 5342 M N 0.237 119.858 119.600 0.035 0.000 2.843 5342 M HA 0.667 5.151 4.480 0.008 0.000 0.273 5342 M C -1.507 174.755 176.300 -0.063 0.000 1.286 5342 M CA -0.993 54.298 55.300 -0.015 0.000 0.807 5342 M CB 2.477 35.065 32.600 -0.020 0.000 1.684 5342 M HN 0.350 nan 8.290 nan 0.000 0.458 5343 R N 0.690 121.130 120.500 -0.101 0.000 2.674 5343 R HA 0.701 5.046 4.340 0.008 0.000 0.266 5343 R C -0.360 175.776 176.300 -0.274 0.000 1.016 5343 R CA -0.607 55.391 56.100 -0.170 0.000 1.062 5343 R CB 2.035 32.253 30.300 -0.137 0.000 1.142 5343 R HN 0.911 nan 8.270 nan 0.000 0.517 5344 S N 0.578 116.005 115.700 -0.454 0.000 2.713 5344 S HA 0.304 4.779 4.470 0.008 0.000 0.283 5344 S C -1.904 172.446 174.600 -0.417 0.000 1.161 5344 S CA -1.265 56.510 58.200 -0.708 0.000 0.999 5344 S CB 1.626 63.839 63.200 -1.644 0.000 1.039 5344 S HN 0.302 nan 8.310 nan 0.000 0.548 5345 P HA -0.085 nan 4.420 nan 0.000 0.217 5345 P C 1.258 178.500 177.300 -0.098 0.000 1.148 5345 P CA 1.683 64.705 63.100 -0.130 0.000 0.828 5345 P CB -0.259 31.419 31.700 -0.037 0.000 0.783 5346 T N -6.161 108.326 114.554 -0.111 0.000 3.107 5346 T HA 0.406 4.761 4.350 0.008 0.000 0.249 5346 T C 1.472 176.125 174.700 -0.078 0.000 1.096 5346 T CA 0.442 62.519 62.100 -0.039 0.000 1.012 5346 T CB -0.306 68.606 68.868 0.074 0.000 0.977 5346 T HN 0.240 nan 8.240 nan 0.000 0.527 5347 G N 0.914 109.622 108.800 -0.155 0.000 2.232 5347 G HA2 -0.212 3.753 3.960 0.008 0.000 0.226 5347 G HA3 -0.212 3.753 3.960 0.008 0.000 0.226 5347 G C -0.156 174.653 174.900 -0.151 0.000 0.996 5347 G CA -0.247 44.775 45.100 -0.130 0.000 0.626 5347 G HN 0.595 nan 8.290 nan 0.000 0.509 5348 E N 0.416 120.495 120.200 -0.201 0.000 2.415 5348 E HA 0.453 4.808 4.350 0.008 0.000 0.262 5348 E C 0.780 177.270 176.600 -0.183 0.000 1.038 5348 E CA 0.119 56.430 56.400 -0.150 0.000 0.921 5348 E CB 0.678 30.338 29.700 -0.066 0.000 0.950 5348 E HN 0.424 nan 8.360 nan 0.000 0.438 5349 I N 4.810 125.322 120.570 -0.097 0.000 2.322 5349 I HA 0.168 4.343 4.170 0.008 0.000 0.292 5349 I C 0.352 176.420 176.117 -0.082 0.000 1.060 5349 I CA -0.112 61.134 61.300 -0.090 0.000 1.309 5349 I CB -0.310 37.653 38.000 -0.061 0.000 1.415 5349 I HN 0.422 nan 8.210 nan 0.000 0.492 5350 I N 2.109 122.631 120.570 -0.079 0.000 3.540 5350 I HA 0.577 4.752 4.170 0.008 0.000 0.288 5350 I C -0.879 175.261 176.117 0.038 0.000 1.169 5350 I CA -0.844 60.450 61.300 -0.009 0.000 1.038 5350 I CB 1.398 39.437 38.000 0.065 0.000 1.338 5350 I HN 0.055 nan 8.210 nan 0.000 0.507 5351 F N 1.272 121.322 119.950 0.166 0.000 2.399 5351 F HA 0.600 5.131 4.527 0.008 0.000 0.342 5351 F C 1.123 176.998 175.800 0.125 0.000 1.106 5351 F CA -0.094 58.007 58.000 0.169 0.000 1.196 5351 F CB 1.308 40.441 39.000 0.222 0.000 1.163 5351 F HN 0.593 nan 8.300 nan 0.000 0.547 5352 G N 0.558 109.556 108.800 0.329 0.000 2.557 5352 G HA2 0.546 4.511 3.960 0.008 0.000 0.292 5352 G HA3 0.546 4.511 3.960 0.008 0.000 0.292 5352 G C 0.059 175.020 174.900 0.102 0.000 1.237 5352 G CA 0.031 45.220 45.100 0.149 0.000 0.978 5352 G HN 1.159 nan 8.290 nan 0.000 0.498 5353 G N -1.095 107.725 108.800 0.033 0.000 2.627 5353 G HA2 -0.198 3.767 3.960 0.008 0.000 0.214 5353 G HA3 -0.198 3.767 3.960 0.008 0.000 0.214 5353 G C 0.690 175.605 174.900 0.024 0.000 1.331 5353 G CA 0.338 45.443 45.100 0.008 0.000 0.891 5353 G HN 0.643 nan 8.290 nan 0.000 0.539 5354 E N -0.289 119.919 120.200 0.014 0.000 2.267 5354 E HA -0.124 4.231 4.350 0.008 0.000 0.197 5354 E C 2.483 179.085 176.600 0.003 0.000 0.998 5354 E CA 1.538 57.938 56.400 -0.002 0.000 0.830 5354 E CB -0.288 29.413 29.700 0.002 0.000 0.751 5354 E HN 0.563 nan 8.360 nan 0.000 0.491 5355 T N 1.244 115.859 114.554 0.103 0.000 3.139 5355 T HA -0.161 4.194 4.350 0.008 0.000 0.267 5355 T C 1.752 176.579 174.700 0.212 0.000 1.164 5355 T CA 0.934 63.172 62.100 0.230 0.000 1.075 5355 T CB -0.374 68.675 68.868 0.301 0.000 0.904 5355 T HN 0.379 nan 8.240 nan 0.000 0.540 5356 M N 1.685 121.357 119.600 0.119 0.000 2.435 5356 M HA -0.066 4.419 4.480 0.008 0.000 0.262 5356 M C 2.154 178.564 176.300 0.183 0.000 1.065 5356 M CA 1.417 56.797 55.300 0.134 0.000 1.076 5356 M CB -0.755 31.870 32.600 0.042 0.000 1.403 5356 M HN 0.236 nan 8.290 nan 0.000 0.454 5357 R N 0.089 120.589 120.500 0.001 0.000 2.200 5357 R HA 0.058 4.403 4.340 0.008 0.000 0.208 5357 R C 0.337 176.629 176.300 -0.012 0.000 1.033 5357 R CA 0.723 56.768 56.100 -0.093 0.000 1.000 5357 R CB -0.448 29.587 30.300 -0.442 0.000 0.906 5357 R HN 0.347 nan 8.270 nan 0.000 0.462 5358 F N 1.779 121.898 119.950 0.281 0.000 2.730 5358 F HA 0.222 4.754 4.527 0.007 0.000 0.295 5358 F C 1.004 176.999 175.800 0.325 0.000 1.143 5358 F CA -1.931 56.222 58.000 0.255 0.000 1.367 5358 F CB -0.251 38.876 39.000 0.211 0.000 0.970 5358 F HN 0.218 nan 8.300 nan 0.000 0.514 5359 W N 0.002 121.485 121.300 0.305 0.000 3.216 5359 W HA 0.039 4.703 4.660 0.007 0.000 0.247 5359 W C -0.165 176.480 176.519 0.211 0.000 1.326 5359 W CA 0.199 57.692 57.345 0.248 0.000 1.564 5359 W CB -0.427 29.126 29.460 0.155 0.000 1.113 5359 W HN 0.121 nan 8.180 nan 0.000 0.722 5360 D N 0.407 120.726 120.400 -0.135 0.000 2.366 5360 D HA -0.037 4.607 4.640 0.008 0.000 0.205 5360 D C 0.463 176.751 176.300 -0.019 0.000 1.022 5360 D CA -0.061 53.754 54.000 -0.308 0.000 0.868 5360 D CB -0.206 40.420 40.800 -0.291 0.000 0.953 5360 D HN 0.028 nan 8.370 nan 0.000 0.514 5361 F N 3.495 123.481 119.950 0.060 0.000 2.608 5361 F HA 0.053 4.584 4.527 0.007 0.000 0.380 5361 F C 0.208 176.039 175.800 0.052 0.000 1.083 5361 F CA -0.022 58.025 58.000 0.078 0.000 1.266 5361 F CB 0.372 39.442 39.000 0.117 0.000 1.076 5361 F HN -0.337 nan 8.300 nan 0.000 0.574 5362 R N 5.011 124.940 120.500 -0.951 0.000 2.513 5362 R HA 0.652 4.997 4.340 0.008 0.000 0.301 5362 R C -0.342 175.409 176.300 -0.915 0.000 0.968 5362 R CA -0.810 54.864 56.100 -0.709 0.000 0.872 5362 R CB 1.210 31.358 30.300 -0.253 0.000 1.177 5362 R HN 0.887 nan 8.270 nan 0.000 0.444 5363 G N 2.145 110.434 108.800 -0.852 0.000 2.690 5363 G HA2 0.484 4.449 3.960 0.008 0.000 0.293 5363 G HA3 0.484 4.449 3.960 0.008 0.000 0.293 5363 G C -2.482 172.138 174.900 -0.467 0.000 1.399 5363 G CA -1.314 43.402 45.100 -0.640 0.000 0.890 5363 G HN 0.102 nan 8.290 nan 0.000 0.485 5364 P HA -0.120 nan 4.420 nan 0.000 0.213 5364 P C 1.826 179.182 177.300 0.094 0.000 1.170 5364 P CA 2.015 65.029 63.100 -0.143 0.000 0.902 5364 P CB -0.014 31.604 31.700 -0.136 0.000 0.789 5365 W N -0.565 120.867 121.300 0.221 0.000 2.480 5365 W HA -0.052 4.613 4.660 0.007 0.000 0.257 5365 W C 1.103 177.628 176.519 0.010 0.000 1.235 5365 W CA 0.303 57.699 57.345 0.085 0.000 1.218 5365 W CB -1.354 28.085 29.460 -0.035 0.000 1.131 5365 W HN -0.013 nan 8.180 nan 0.000 0.606 5366 L N 0.970 121.898 121.223 -0.493 0.000 2.467 5366 L HA 0.127 4.472 4.340 0.008 0.000 0.213 5366 L C 2.529 179.319 176.870 -0.133 0.000 1.053 5366 L CA 1.199 55.825 54.840 -0.357 0.000 0.847 5366 L CB -0.556 41.039 42.059 -0.773 0.000 1.075 5366 L HN -0.355 nan 8.230 nan 0.000 0.479 5367 E N 0.657 120.792 120.200 -0.108 0.000 2.136 5367 E HA -0.238 4.117 4.350 0.008 0.000 0.202 5367 E C -0.526 176.092 176.600 0.031 0.000 1.019 5367 E CA 1.969 58.363 56.400 -0.009 0.000 0.819 5367 E CB -1.919 27.829 29.700 0.080 0.000 0.739 5367 E HN 0.411 nan 8.360 nan 0.000 0.458 5368 P HA -0.094 nan 4.420 nan 0.000 0.229 5368 P C 1.020 178.350 177.300 0.050 0.000 1.150 5368 P CA 0.931 64.084 63.100 0.088 0.000 0.765 5368 P CB -0.064 31.730 31.700 0.156 0.000 0.783 5369 L N -2.553 118.684 121.223 0.024 0.000 2.640 5369 L HA 0.187 4.532 4.340 0.008 0.000 0.230 5369 L C 1.306 178.165 176.870 -0.019 0.000 1.123 5369 L CA -0.268 54.575 54.840 0.006 0.000 0.900 5369 L CB 0.040 42.107 42.059 0.012 0.000 1.146 5369 L HN -0.141 nan 8.230 nan 0.000 0.484 5370 R N 0.242 120.732 120.500 -0.016 0.000 2.459 5370 R HA 0.508 4.853 4.340 0.008 0.000 0.281 5370 R C 0.153 176.448 176.300 -0.009 0.000 1.050 5370 R CA 0.131 56.218 56.100 -0.023 0.000 1.055 5370 R CB 1.289 31.576 30.300 -0.022 0.000 1.045 5370 R HN 0.057 nan 8.270 nan 0.000 0.495 5371 G N 1.686 110.481 108.800 -0.009 0.000 3.257 5371 G HA2 0.311 4.276 3.960 0.008 0.000 0.205 5371 G HA3 0.311 4.276 3.960 0.008 0.000 0.205 5371 G C -1.971 172.929 174.900 -0.001 0.000 1.234 5371 G CA -0.621 44.476 45.100 -0.004 0.000 0.918 5371 G HN 0.551 nan 8.290 nan 0.000 0.602 5372 P HA 0.085 nan 4.420 nan 0.000 0.230 5372 P C 0.296 177.600 177.300 0.007 0.000 1.168 5372 P CA 0.683 63.784 63.100 0.003 0.000 0.793 5372 P CB 0.480 32.180 31.700 0.001 0.000 0.851 5373 N N -0.293 118.408 118.700 0.002 0.000 2.203 5373 N HA 0.323 5.068 4.740 0.008 0.000 0.207 5373 N C 0.831 176.339 175.510 -0.002 0.000 1.130 5373 N CA 0.819 53.869 53.050 -0.001 0.000 0.861 5373 N CB 0.884 39.365 38.487 -0.011 0.000 1.005 5373 N HN 0.224 nan 8.380 nan 0.000 0.507 5374 G N -0.255 108.548 108.800 0.005 0.000 2.362 5374 G HA2 -0.151 3.814 3.960 0.008 0.000 0.517 5374 G HA3 -0.151 3.814 3.960 0.008 0.000 0.517 5374 G C -1.057 173.825 174.900 -0.031 0.000 1.256 5374 G CA -1.071 44.031 45.100 0.003 0.000 1.027 5374 G HN 0.093 nan 8.290 nan 0.000 0.491 5375 L N 1.656 122.837 121.223 -0.071 0.000 2.737 5375 L HA 0.056 4.401 4.340 0.008 0.000 0.279 5375 L C 0.912 177.738 176.870 -0.073 0.000 1.200 5375 L CA 0.389 55.159 54.840 -0.118 0.000 0.952 5375 L CB -0.010 41.898 42.059 -0.252 0.000 1.240 5375 L HN 0.671 nan 8.230 nan 0.000 0.486 5376 D N 3.653 124.025 120.400 -0.047 0.000 2.256 5376 D HA 0.077 4.722 4.640 0.008 0.000 0.250 5376 D C 0.897 177.185 176.300 -0.020 0.000 1.093 5376 D CA -0.476 53.509 54.000 -0.026 0.000 0.882 5376 D CB 1.539 42.332 40.800 -0.012 0.000 1.185 5376 D HN 0.476 nan 8.370 nan 0.000 0.437 5377 L N 4.063 125.280 121.223 -0.011 0.000 1.988 5377 L HA -0.193 4.152 4.340 0.008 0.000 0.207 5377 L C 2.224 179.094 176.870 0.001 0.000 1.071 5377 L CA 0.796 55.634 54.840 -0.002 0.000 0.744 5377 L CB -0.350 41.710 42.059 0.003 0.000 0.893 5377 L HN 0.530 nan 8.230 nan 0.000 0.433 5378 N N 0.217 118.918 118.700 0.002 0.000 2.060 5378 N HA -0.261 4.484 4.740 0.008 0.000 0.195 5378 N C 1.687 177.201 175.510 0.007 0.000 1.028 5378 N CA 1.649 54.702 53.050 0.005 0.000 0.861 5378 N CB -0.291 38.199 38.487 0.006 0.000 1.029 5378 N HN 0.404 nan 8.380 nan 0.000 0.428 5379 K N 0.861 121.265 120.400 0.007 0.000 2.002 5379 K HA -0.028 4.297 4.320 0.008 0.000 0.209 5379 K C 2.300 178.907 176.600 0.011 0.000 1.048 5379 K CA 0.867 57.162 56.287 0.012 0.000 0.930 5379 K CB -0.241 32.266 32.500 0.012 0.000 0.714 5379 K HN 0.148 nan 8.250 nan 0.000 0.438 5380 I N 1.477 122.052 120.570 0.008 0.000 2.163 5380 I HA -0.321 3.854 4.170 0.008 0.000 0.243 5380 I C 2.245 178.367 176.117 0.009 0.000 1.085 5380 I CA 1.445 62.754 61.300 0.015 0.000 1.347 5380 I CB -0.228 37.782 38.000 0.017 0.000 1.044 5380 I HN 0.173 nan 8.210 nan 0.000 0.408 5381 K N 0.873 121.275 120.400 0.004 0.000 2.280 5381 K HA -0.167 4.157 4.320 0.008 0.000 0.202 5381 K C 0.086 176.685 176.600 -0.002 0.000 1.047 5381 K CA 1.556 57.841 56.287 -0.002 0.000 0.942 5381 K CB -0.108 32.392 32.500 -0.001 0.000 0.739 5381 K HN 0.554 nan 8.250 nan 0.000 0.457 5382 N N -1.643 117.059 118.700 0.004 0.000 2.381 5382 N HA 0.030 4.775 4.740 0.008 0.000 0.248 5382 N C -1.177 174.341 175.510 0.013 0.000 1.430 5382 N CA -0.218 52.835 53.050 0.006 0.000 0.993 5382 N CB 0.007 38.498 38.487 0.006 0.000 1.352 5382 N HN -0.150 nan 8.380 nan 0.000 0.520 5383 D N 0.250 120.659 120.400 0.014 0.000 2.636 5383 D HA 0.302 4.947 4.640 0.008 0.000 0.270 5383 D C -0.583 175.727 176.300 0.017 0.000 1.430 5383 D CA -0.134 53.882 54.000 0.026 0.000 0.796 5383 D CB 0.720 41.539 40.800 0.033 0.000 1.117 5383 D HN 0.365 nan 8.370 nan 0.000 0.480 5384 I N 2.316 122.883 120.570 -0.005 0.000 2.257 5384 I HA 0.090 4.264 4.170 0.008 0.000 0.290 5384 I C 0.200 176.276 176.117 -0.068 0.000 1.137 5384 I CA -0.597 60.677 61.300 -0.044 0.000 1.255 5384 I CB 0.116 38.093 38.000 -0.038 0.000 1.485 5384 I HN -0.162 nan 8.210 nan 0.000 0.534 5385 Q N 5.499 125.259 119.800 -0.066 0.000 2.394 5385 Q HA -0.044 4.301 4.340 0.008 0.000 0.303 5385 Q C -1.479 174.455 176.000 -0.111 0.000 1.117 5385 Q CA -0.965 54.831 55.803 -0.011 0.000 0.966 5385 Q CB 0.130 28.979 28.738 0.186 0.000 1.275 5385 Q HN 0.304 nan 8.270 nan 0.000 0.429 5386 P HA -0.160 nan 4.420 nan 0.000 0.218 5386 P C 1.194 178.491 177.300 -0.006 0.000 1.149 5386 P CA 1.312 64.405 63.100 -0.011 0.000 0.817 5386 P CB -0.234 31.491 31.700 0.042 0.000 0.785 5387 W N 0.436 121.731 121.300 -0.010 0.000 2.387 5387 W HA -0.152 4.513 4.660 0.008 0.000 0.272 5387 W C 1.050 177.548 176.519 -0.035 0.000 1.224 5387 W CA 0.924 58.257 57.345 -0.019 0.000 1.210 5387 W CB -1.348 28.116 29.460 0.006 0.000 1.125 5387 W HN 0.144 nan 8.180 nan 0.000 0.572 5388 Q N 0.814 120.191 119.800 -0.704 0.000 2.134 5388 Q HA -0.139 4.205 4.340 0.008 0.000 0.195 5388 Q C 2.260 178.030 176.000 -0.384 0.000 0.958 5388 Q CA 1.396 56.774 55.803 -0.708 0.000 0.840 5388 Q CB -0.470 27.806 28.738 -0.771 0.000 0.918 5388 Q HN 0.374 nan 8.270 nan 0.000 0.467 5389 E N 1.740 121.772 120.200 -0.279 0.000 2.130 5389 E HA -0.266 4.089 4.350 0.008 0.000 0.196 5389 E C 1.978 178.440 176.600 -0.230 0.000 0.998 5389 E CA 1.712 57.983 56.400 -0.216 0.000 0.806 5389 E CB 0.089 29.698 29.700 -0.152 0.000 0.738 5389 E HN 0.319 nan 8.360 nan 0.000 0.459 5390 R N -0.266 120.117 120.500 -0.194 0.000 2.140 5390 R HA 0.065 4.410 4.340 0.008 0.000 0.213 5390 R C 2.482 178.629 176.300 -0.255 0.000 1.059 5390 R CA 0.649 56.644 56.100 -0.175 0.000 1.000 5390 R CB -0.348 29.898 30.300 -0.090 0.000 0.910 5390 R HN -0.008 nan 8.270 nan 0.000 0.455 5391 R N 1.048 121.354 120.500 -0.324 0.000 2.075 5391 R HA -0.001 4.344 4.340 0.008 0.000 0.232 5391 R C 2.186 177.950 176.300 -0.893 0.000 1.126 5391 R CA 1.421 57.192 56.100 -0.549 0.000 0.963 5391 R CB -0.272 29.756 30.300 -0.454 0.000 0.858 5391 R HN 0.344 nan 8.270 nan 0.000 0.435 5392 A N 0.619 122.971 122.820 -0.779 0.000 1.933 5392 A HA -0.088 4.237 4.320 0.008 0.000 0.218 5392 A C 2.286 179.562 177.584 -0.513 0.000 1.175 5392 A CA 1.613 53.156 52.037 -0.824 0.000 0.628 5392 A CB -0.613 18.041 19.000 -0.576 0.000 0.814 5392 A HN 0.517 nan 8.150 nan 0.000 0.444 5393 A N -0.256 122.339 122.820 -0.375 0.000 1.898 5393 A HA -0.093 4.232 4.320 0.008 0.000 0.216 5393 A C 1.948 179.432 177.584 -0.168 0.000 1.181 5393 A CA 2.028 53.914 52.037 -0.251 0.000 0.620 5393 A CB -0.496 18.379 19.000 -0.208 0.000 0.819 5393 A HN 0.525 nan 8.150 nan 0.000 0.442 5394 E N -0.264 119.832 120.200 -0.172 0.000 2.049 5394 E HA -0.223 4.132 4.350 0.008 0.000 0.198 5394 E C 1.767 178.484 176.600 0.195 0.000 1.007 5394 E CA 2.094 58.508 56.400 0.022 0.000 0.809 5394 E CB -0.615 29.051 29.700 -0.057 0.000 0.749 5394 E HN 0.767 nan 8.360 nan 0.000 0.450 5395 Y N 0.082 120.260 120.300 -0.204 0.000 2.181 5395 Y HA -0.222 4.334 4.550 0.009 0.000 0.288 5395 Y C 2.561 178.339 175.900 -0.203 0.000 1.146 5395 Y CA 0.912 58.866 58.100 -0.244 0.000 1.164 5395 Y CB -0.474 37.750 38.460 -0.394 0.000 0.982 5395 Y HN 0.244 nan 8.280 nan 0.000 0.515 5396 M N 0.269 119.836 119.600 -0.055 0.000 2.460 5396 M HA -0.077 4.408 4.480 0.008 0.000 0.263 5396 M C 1.330 177.584 176.300 -0.076 0.000 1.071 5396 M CA 1.986 57.239 55.300 -0.079 0.000 1.096 5396 M CB -0.543 32.004 32.600 -0.089 0.000 1.408 5396 M HN 0.052 nan 8.290 nan 0.000 0.463 5397 T N -3.526 110.976 114.554 -0.086 0.000 3.186 5397 T HA 0.189 4.544 4.350 0.008 0.000 0.257 5397 T C 0.369 174.780 174.700 -0.482 0.000 1.029 5397 T CA -0.347 61.625 62.100 -0.213 0.000 0.916 5397 T CB -0.363 68.376 68.868 -0.215 0.000 1.041 5397 T HN 0.593 nan 8.240 nan 0.000 0.562 5398 H N 0.273 119.237 119.070 -0.176 0.000 3.038 5398 H HA 0.551 5.112 4.556 0.008 0.000 0.238 5398 H C 0.506 175.762 175.328 -0.121 0.000 1.246 5398 H CA -0.570 55.301 56.048 -0.296 0.000 0.966 5398 H CB 0.433 29.961 29.762 -0.390 0.000 2.394 5398 H HN 0.514 nan 8.280 nan 0.000 0.633 5399 A N 1.736 124.552 122.820 -0.008 0.000 2.406 5399 A HA 0.282 4.607 4.320 0.008 0.000 0.243 5399 A C -1.766 175.852 177.584 0.056 0.000 1.082 5399 A CA -1.025 50.987 52.037 -0.042 0.000 0.786 5399 A CB 0.124 19.084 19.000 -0.068 0.000 1.029 5399 A HN 0.019 nan 8.150 nan 0.000 0.495 5400 P HA 0.194 nan 4.420 nan 0.000 0.237 5400 P C -1.232 176.076 177.300 0.014 0.000 1.701 5400 P CA 0.751 63.830 63.100 -0.035 0.000 0.955 5400 P CB -0.522 31.090 31.700 -0.147 0.000 1.937 5401 L N 0.178 121.416 121.223 0.025 0.000 2.410 5401 L HA 0.882 5.227 4.340 0.008 0.000 0.270 5401 L C 0.503 177.362 176.870 -0.018 0.000 0.983 5401 L CA -0.634 54.205 54.840 -0.002 0.000 0.822 5401 L CB 2.579 44.648 42.059 0.017 0.000 1.285 5401 L HN 0.121 nan 8.230 nan 0.000 0.409 5402 G N 0.715 109.467 108.800 -0.080 0.000 2.356 5402 G HA2 0.451 4.415 3.960 0.008 0.000 0.294 5402 G HA3 0.451 4.415 3.960 0.008 0.000 0.294 5402 G C -1.259 173.572 174.900 -0.114 0.000 1.423 5402 G CA -0.144 44.907 45.100 -0.081 0.000 0.806 5402 G HN 0.654 nan 8.290 nan 0.000 0.527 5403 S N -0.849 114.809 115.700 -0.070 0.000 2.738 5403 S HA 0.584 5.058 4.470 0.008 0.000 0.284 5403 S C 1.443 176.009 174.600 -0.056 0.000 1.146 5403 S CA -0.671 57.496 58.200 -0.056 0.000 0.997 5403 S CB 1.335 64.531 63.200 -0.007 0.000 1.081 5403 S HN 0.632 nan 8.310 nan 0.000 0.553 5404 L N 1.077 122.295 121.223 -0.008 0.000 2.017 5404 L HA -0.116 4.229 4.340 0.008 0.000 0.208 5404 L C 1.708 178.675 176.870 0.162 0.000 1.073 5404 L CA 1.497 56.380 54.840 0.070 0.000 0.745 5404 L CB -0.652 41.455 42.059 0.080 0.000 0.894 5404 L HN 0.839 nan 8.230 nan 0.000 0.432 5405 N N -0.231 118.537 118.700 0.114 0.000 2.482 5405 N HA -0.085 4.660 4.740 0.008 0.000 0.220 5405 N C -0.177 175.420 175.510 0.145 0.000 1.255 5405 N CA 0.462 53.590 53.050 0.130 0.000 0.850 5405 N CB -0.187 38.353 38.487 0.089 0.000 1.127 5405 N HN 0.066 nan 8.380 nan 0.000 0.475 5406 S N -0.758 115.048 115.700 0.177 0.000 3.310 5406 S HA -0.122 4.352 4.470 0.008 0.000 0.381 5406 S C -0.425 174.255 174.600 0.132 0.000 0.908 5406 S CA 0.249 58.557 58.200 0.180 0.000 1.333 5406 S CB -1.319 62.052 63.200 0.285 0.000 0.931 5406 S HN 0.375 nan 8.310 nan 0.000 0.570 5407 V N 2.264 122.230 119.914 0.088 0.000 2.380 5407 V HA 0.497 4.622 4.120 0.008 0.000 0.272 5407 V C 1.077 177.223 176.094 0.086 0.000 1.011 5407 V CA -0.211 62.142 62.300 0.088 0.000 0.826 5407 V CB 1.201 33.061 31.823 0.061 0.000 1.040 5407 V HN 0.873 nan 8.190 nan 0.000 0.441 5408 G N 2.778 111.671 108.800 0.155 0.000 2.257 5408 G HA2 0.438 4.403 3.960 0.008 0.000 0.235 5408 G HA3 0.438 4.403 3.960 0.008 0.000 0.235 5408 G C 0.607 175.572 174.900 0.109 0.000 1.225 5408 G CA 1.131 46.357 45.100 0.210 0.000 0.878 5408 G HN 1.602 nan 8.290 nan 0.000 0.505 5409 G N -0.125 108.729 108.800 0.090 0.000 2.483 5409 G HA2 0.156 4.121 3.960 0.008 0.000 0.521 5409 G HA3 0.156 4.121 3.960 0.008 0.000 0.521 5409 G C -0.216 174.695 174.900 0.018 0.000 1.278 5409 G CA -0.421 44.703 45.100 0.040 0.000 0.965 5409 G HN 1.366 nan 8.290 nan 0.000 0.504 5410 V N 1.252 121.171 119.914 0.009 0.000 2.999 5410 V HA 0.377 4.502 4.120 0.008 0.000 0.307 5410 V C 2.280 178.374 176.094 -0.001 0.000 1.084 5410 V CA 1.240 63.541 62.300 0.002 0.000 1.155 5410 V CB 0.942 32.765 31.823 -0.000 0.000 0.975 5410 V HN 2.118 nan 8.190 nan 0.000 0.490 5411 A N 2.758 125.574 122.820 -0.006 0.000 2.024 5411 A HA -0.151 4.173 4.320 0.008 0.000 0.220 5411 A C 2.050 179.632 177.584 -0.003 0.000 1.164 5411 A CA 2.157 54.190 52.037 -0.007 0.000 0.643 5411 A CB -0.706 18.286 19.000 -0.012 0.000 0.806 5411 A HN 1.081 nan 8.150 nan 0.000 0.451 5412 T N -2.684 111.868 114.554 -0.003 0.000 3.107 5412 T HA 0.213 4.567 4.350 0.008 0.000 0.249 5412 T C 0.527 175.228 174.700 0.001 0.000 1.096 5412 T CA 0.413 62.512 62.100 -0.002 0.000 1.012 5412 T CB -0.137 68.729 68.868 -0.004 0.000 0.977 5412 T HN 0.373 nan 8.240 nan 0.000 0.527 5413 E N 1.031 121.232 120.200 0.003 0.000 2.392 5413 E HA 0.434 4.789 4.350 0.008 0.000 0.256 5413 E C -0.149 176.456 176.600 0.009 0.000 1.145 5413 E CA -0.724 55.679 56.400 0.005 0.000 0.929 5413 E CB 0.529 30.234 29.700 0.008 0.000 0.998 5413 E HN 0.473 nan 8.360 nan 0.000 0.442 5414 I N 2.044 122.620 120.570 0.009 0.000 2.934 5414 I HA 0.206 4.380 4.170 0.008 0.000 0.315 5414 I C -0.034 176.094 176.117 0.017 0.000 0.997 5414 I CA -0.679 60.628 61.300 0.011 0.000 1.184 5414 I CB 0.872 38.877 38.000 0.008 0.000 1.400 5414 I HN 0.567 nan 8.210 nan 0.000 0.549 5415 N N 2.071 120.783 118.700 0.020 0.000 2.399 5415 N HA 0.428 5.173 4.740 0.008 0.000 0.250 5415 N C -1.176 174.350 175.510 0.027 0.000 1.272 5415 N CA 0.623 53.690 53.050 0.028 0.000 0.928 5415 N CB 0.733 39.237 38.487 0.029 0.000 1.158 5415 N HN 0.780 nan 8.380 nan 0.000 0.463 5416 S N -1.473 114.249 115.700 0.036 0.000 3.154 5416 S HA -0.112 4.363 4.470 0.008 0.000 0.492 5416 S C -0.411 174.216 174.600 0.045 0.000 0.625 5416 S CA -0.566 57.654 58.200 0.034 0.000 1.346 5416 S CB -0.851 62.360 63.200 0.019 0.000 1.504 5416 S HN 1.496 nan 8.310 nan 0.000 0.441 5417 V N 1.125 121.066 119.914 0.045 0.000 5.915 5417 V HA -0.146 3.978 4.120 0.008 0.000 0.250 5417 V C 0.336 176.505 176.094 0.126 0.000 0.647 5417 V CA 1.504 63.839 62.300 0.059 0.000 0.573 5417 V CB -1.770 30.057 31.823 0.006 0.000 0.266 5417 V HN 1.946 nan 8.190 nan 0.000 0.580 5418 N N 4.566 123.354 118.700 0.147 0.000 2.470 5418 N HA 0.512 5.257 4.740 0.008 0.000 0.268 5418 N C -0.833 174.867 175.510 0.318 0.000 1.136 5418 N CA 0.209 53.373 53.050 0.190 0.000 0.961 5418 N CB 1.580 40.159 38.487 0.153 0.000 1.067 5418 N HN 0.962 nan 8.380 nan 0.000 0.468 5419 F N 0.992 121.015 119.950 0.121 0.000 2.704 5419 F HA 0.458 4.991 4.527 0.009 0.000 0.312 5419 F C -2.377 173.505 175.800 0.137 0.000 1.108 5419 F CA -0.812 57.286 58.000 0.164 0.000 1.005 5419 F CB 0.893 39.992 39.000 0.165 0.000 1.277 5419 F HN 0.210 nan 8.300 nan 0.000 0.445 5420 V N 4.066 123.525 119.914 -0.758 0.000 2.612 5420 V HA 0.420 4.545 4.120 0.008 0.000 0.301 5420 V C -0.145 175.382 176.094 -0.944 0.000 1.059 5420 V CA -0.872 60.929 62.300 -0.832 0.000 0.886 5420 V CB 1.560 33.031 31.823 -0.585 0.000 1.007 5420 V HN 0.971 nan 8.190 nan 0.000 0.426 5421 S N 5.372 120.507 115.700 -0.942 0.000 2.558 5421 S HA 0.141 4.616 4.470 0.008 0.000 0.288 5421 S C -1.314 173.279 174.600 -0.012 0.000 1.318 5421 S CA -0.374 57.609 58.200 -0.361 0.000 1.056 5421 S CB 1.148 64.275 63.200 -0.122 0.000 0.853 5421 S HN 0.618 nan 8.310 nan 0.000 0.505 5422 P HA -0.064 nan 4.420 nan 0.000 0.216 5422 P C 1.238 178.725 177.300 0.312 0.000 1.150 5422 P CA 1.181 64.522 63.100 0.402 0.000 0.837 5422 P CB 0.089 32.088 31.700 0.499 0.000 0.786 5423 R N -0.793 119.824 120.500 0.195 0.000 2.139 5423 R HA -0.093 4.252 4.340 0.008 0.000 0.243 5423 R C 2.272 178.725 176.300 0.256 0.000 1.145 5423 R CA 1.518 57.686 56.100 0.113 0.000 0.976 5423 R CB -0.705 29.554 30.300 -0.068 0.000 0.866 5423 R HN 0.227 nan 8.270 nan 0.000 0.449 5424 S N -0.398 115.402 115.700 0.167 0.000 2.325 5424 S HA -0.094 4.381 4.470 0.008 0.000 0.214 5424 S C 1.486 176.101 174.600 0.025 0.000 1.031 5424 S CA 0.698 58.936 58.200 0.063 0.000 0.972 5424 S CB -0.328 62.751 63.200 -0.202 0.000 0.908 5424 S HN 0.398 nan 8.310 nan 0.000 0.453 5425 W N 2.076 123.414 121.300 0.065 0.000 2.290 5425 W HA -0.228 4.437 4.660 0.008 0.000 0.323 5425 W C 2.056 178.648 176.519 0.122 0.000 1.260 5425 W CA 0.733 58.124 57.345 0.078 0.000 1.266 5425 W CB -0.642 28.873 29.460 0.090 0.000 1.149 5425 W HN 0.267 nan 8.180 nan 0.000 0.482 5426 L N -0.296 121.163 121.223 0.394 0.000 1.937 5426 L HA -0.250 4.095 4.340 0.008 0.000 0.213 5426 L C 2.734 179.742 176.870 0.230 0.000 1.077 5426 L CA 1.483 56.497 54.840 0.289 0.000 0.758 5426 L CB -1.572 40.589 42.059 0.170 0.000 0.888 5426 L HN 0.027 nan 8.230 nan 0.000 0.433 5427 A N -1.036 121.862 122.820 0.131 0.000 1.997 5427 A HA -0.288 4.037 4.320 0.008 0.000 0.221 5427 A C 2.339 179.969 177.584 0.078 0.000 1.172 5427 A CA 2.670 54.751 52.037 0.074 0.000 0.645 5427 A CB -1.053 17.932 19.000 -0.024 0.000 0.813 5427 A HN 0.492 nan 8.150 nan 0.000 0.454 5428 T N -0.267 114.325 114.554 0.064 0.000 2.732 5428 T HA -0.122 4.233 4.350 0.008 0.000 0.261 5428 T C 2.439 177.236 174.700 0.161 0.000 1.040 5428 T CA 2.184 64.316 62.100 0.053 0.000 1.145 5428 T CB -0.404 68.471 68.868 0.011 0.000 0.866 5428 T HN 0.858 nan 8.240 nan 0.000 0.427 5429 S N 0.946 116.780 115.700 0.224 0.000 2.353 5429 S HA -0.222 4.253 4.470 0.008 0.000 0.222 5429 S C 1.828 176.464 174.600 0.060 0.000 1.035 5429 S CA 1.762 60.055 58.200 0.156 0.000 1.025 5429 S CB -0.924 62.375 63.200 0.166 0.000 0.902 5429 S HN 0.626 nan 8.310 nan 0.000 0.440 5430 H N -0.061 119.039 119.070 0.051 0.000 2.489 5430 H HA 0.174 4.734 4.556 0.007 0.000 0.293 5430 H C 1.580 176.881 175.328 -0.044 0.000 1.066 5430 H CA 1.203 57.239 56.048 -0.020 0.000 1.305 5430 H CB -0.495 29.272 29.762 0.008 0.000 1.386 5430 H HN 0.548 nan 8.280 nan 0.000 0.551 5431 F N 0.090 120.064 119.950 0.039 0.000 2.206 5431 F HA -0.121 4.404 4.527 -0.004 0.000 0.298 5431 F C 1.991 177.787 175.800 -0.006 0.000 1.090 5431 F CA 0.536 58.551 58.000 0.025 0.000 1.323 5431 F CB -0.190 38.848 39.000 0.064 0.000 1.028 5431 F HN -0.072 nan 8.300 nan 0.000 0.492 5432 V N 0.769 120.765 119.914 0.137 0.000 2.237 5432 V HA -0.320 3.805 4.120 0.008 0.000 0.245 5432 V C 2.419 178.514 176.094 0.001 0.000 1.046 5432 V CA 2.094 64.437 62.300 0.071 0.000 1.007 5432 V CB -0.863 31.027 31.823 0.113 0.000 0.638 5432 V HN 0.317 nan 8.190 nan 0.000 0.445 5433 L N 0.173 121.329 121.223 -0.112 0.000 1.955 5433 L HA -0.219 4.126 4.340 0.008 0.000 0.213 5433 L C 2.839 179.460 176.870 -0.416 0.000 1.072 5433 L CA 1.878 56.544 54.840 -0.292 0.000 0.755 5433 L CB -1.076 40.679 42.059 -0.506 0.000 0.888 5433 L HN 0.366 nan 8.230 nan 0.000 0.432 5434 A N 0.046 122.553 122.820 -0.521 0.000 1.896 5434 A HA -0.333 3.992 4.320 0.008 0.000 0.220 5434 A C 2.160 179.370 177.584 -0.623 0.000 1.206 5434 A CA 2.413 53.990 52.037 -0.767 0.000 0.647 5434 A CB -1.114 17.091 19.000 -1.325 0.000 0.828 5434 A HN 0.425 nan 8.150 nan 0.000 0.455 5435 F N -0.647 118.915 119.950 -0.646 0.000 1.997 5435 F HA -0.162 4.363 4.527 -0.002 0.000 0.296 5435 F C 2.081 177.864 175.800 -0.028 0.000 1.160 5435 F CA 1.808 59.641 58.000 -0.279 0.000 1.176 5435 F CB -1.021 37.769 39.000 -0.351 0.000 0.964 5435 F HN 0.248 nan 8.300 nan 0.000 0.484 5436 F N -0.389 119.422 119.950 -0.233 0.000 2.135 5436 F HA -0.355 4.181 4.527 0.014 0.000 0.300 5436 F C 2.466 178.212 175.800 -0.090 0.000 1.074 5436 F CA 1.513 59.372 58.000 -0.234 0.000 1.262 5436 F CB -0.728 38.284 39.000 0.021 0.000 1.013 5436 F HN 0.059 nan 8.300 nan 0.000 0.489 5437 F N -0.814 119.083 119.950 -0.089 0.000 2.186 5437 F HA -0.246 4.284 4.527 0.005 0.000 0.299 5437 F C 2.257 178.010 175.800 -0.079 0.000 1.090 5437 F CA 0.340 58.290 58.000 -0.083 0.000 1.307 5437 F CB -0.289 38.659 39.000 -0.087 0.000 1.019 5437 F HN -0.025 nan 8.300 nan 0.000 0.489 5438 L N -0.044 121.191 121.223 0.020 0.000 2.046 5438 L HA -0.146 4.199 4.340 0.008 0.000 0.208 5438 L C 2.086 178.918 176.870 -0.062 0.000 1.077 5438 L CA 1.482 56.309 54.840 -0.022 0.000 0.747 5438 L CB -0.939 41.105 42.059 -0.024 0.000 0.896 5438 L HN -0.075 nan 8.230 nan 0.000 0.432 5439 V N 0.645 120.416 119.914 -0.238 0.000 2.255 5439 V HA -0.261 3.864 4.120 0.008 0.000 0.247 5439 V C 2.687 178.761 176.094 -0.034 0.000 1.051 5439 V CA 2.016 64.221 62.300 -0.160 0.000 1.018 5439 V CB -1.658 30.037 31.823 -0.213 0.000 0.641 5439 V HN 0.663 nan 8.190 nan 0.000 0.445 5440 G N -0.750 108.003 108.800 -0.078 0.000 2.476 5440 G HA2 -0.390 3.575 3.960 0.008 0.000 0.218 5440 G HA3 -0.390 3.575 3.960 0.008 0.000 0.218 5440 G C 1.537 176.410 174.900 -0.044 0.000 1.164 5440 G CA 1.330 46.343 45.100 -0.144 0.000 0.768 5440 G HN 0.634 nan 8.290 nan 0.000 0.560 5441 H N 1.135 120.156 119.070 -0.082 0.000 2.265 5441 H HA -0.079 4.484 4.556 0.011 0.000 0.295 5441 H C 2.630 177.946 175.328 -0.019 0.000 1.084 5441 H CA 1.883 57.911 56.048 -0.033 0.000 1.261 5441 H CB -0.515 29.247 29.762 -0.000 0.000 1.360 5441 H HN 0.320 nan 8.280 nan 0.000 0.487 5442 L N -0.530 120.857 121.223 0.274 0.000 2.012 5442 L HA -0.238 4.107 4.340 0.008 0.000 0.210 5442 L C 2.913 179.787 176.870 0.006 0.000 1.073 5442 L CA 1.597 56.539 54.840 0.169 0.000 0.748 5442 L CB -0.870 41.279 42.059 0.150 0.000 0.891 5442 L HN 0.425 nan 8.230 nan 0.000 0.431 5443 W N 0.899 122.092 121.300 -0.178 0.000 2.302 5443 W HA -0.280 4.381 4.660 0.002 0.000 0.320 5443 W C 2.644 178.981 176.519 -0.304 0.000 1.241 5443 W CA 2.130 59.309 57.345 -0.278 0.000 1.264 5443 W CB -0.383 28.819 29.460 -0.429 0.000 1.154 5443 W HN 0.335 nan 8.180 nan 0.000 0.483 5444 H N -0.407 118.603 119.070 -0.101 0.000 2.355 5444 H HA 0.043 4.605 4.556 0.010 0.000 0.303 5444 H C 2.435 177.546 175.328 -0.361 0.000 1.061 5444 H CA 1.679 57.572 56.048 -0.258 0.000 1.368 5444 H CB -1.123 28.509 29.762 -0.217 0.000 1.412 5444 H HN 0.169 nan 8.280 nan 0.000 0.523 5445 A N 0.904 123.551 122.820 -0.288 0.000 1.986 5445 A HA -0.137 4.188 4.320 0.008 0.000 0.220 5445 A C 2.724 180.167 177.584 -0.235 0.000 1.171 5445 A CA 1.795 53.621 52.037 -0.352 0.000 0.640 5445 A CB -1.082 17.625 19.000 -0.489 0.000 0.811 5445 A HN 0.480 nan 8.150 nan 0.000 0.451 5446 G N -1.117 107.550 108.800 -0.221 0.000 2.430 5446 G HA2 -0.108 3.857 3.960 0.008 0.000 0.216 5446 G HA3 -0.108 3.857 3.960 0.008 0.000 0.216 5446 G C 1.696 176.442 174.900 -0.256 0.000 1.146 5446 G CA 0.829 45.809 45.100 -0.201 0.000 0.793 5446 G HN 0.560 nan 8.290 nan 0.000 0.537 5447 R N 0.351 120.648 120.500 -0.338 0.000 2.055 5447 R HA 0.173 4.518 4.340 0.008 0.000 0.226 5447 R C 2.803 178.943 176.300 -0.267 0.000 1.135 5447 R CA 1.296 57.196 56.100 -0.333 0.000 0.959 5447 R CB -0.347 29.718 30.300 -0.392 0.000 0.854 5447 R HN 0.210 nan 8.270 nan 0.000 0.431 5448 A N 0.690 123.351 122.820 -0.265 0.000 2.019 5448 A HA -0.153 4.172 4.320 0.008 0.000 0.219 5448 A C 2.070 179.501 177.584 -0.255 0.000 1.164 5448 A CA 1.404 53.275 52.037 -0.276 0.000 0.644 5448 A CB -0.371 18.418 19.000 -0.352 0.000 0.805 5448 A HN 0.283 nan 8.150 nan 0.000 0.449 5449 R N -0.704 119.656 120.500 -0.233 0.000 2.313 5449 R HA 0.252 4.597 4.340 0.008 0.000 0.199 5449 R C 1.210 177.365 176.300 -0.242 0.000 0.958 5449 R CA 1.202 57.190 56.100 -0.187 0.000 1.047 5449 R CB -0.282 29.940 30.300 -0.130 0.000 0.955 5449 R HN 0.351 nan 8.270 nan 0.000 0.481 5450 A N -1.427 121.192 122.820 -0.335 0.000 2.427 5450 A HA 0.460 4.785 4.320 0.008 0.000 0.225 5450 A C 1.705 178.877 177.584 -0.686 0.000 1.257 5450 A CA 0.297 51.956 52.037 -0.631 0.000 0.985 5450 A CB 0.141 18.887 19.000 -0.424 0.000 1.136 5450 A HN 0.273 nan 8.150 nan 0.000 0.538 5451 A N 0.130 122.719 122.820 -0.384 0.000 2.016 5451 A HA 0.405 4.730 4.320 0.008 0.000 0.217 5451 A C 2.227 179.660 177.584 -0.251 0.000 1.162 5451 A CA 1.586 53.461 52.037 -0.270 0.000 0.662 5451 A CB -0.542 18.348 19.000 -0.184 0.000 0.812 5451 A HN 0.864 nan 8.150 nan 0.000 0.450 5452 A N 0.242 122.906 122.820 -0.260 0.000 1.826 5452 A HA 0.260 4.585 4.320 0.008 0.000 0.214 5452 A C 2.480 179.948 177.584 -0.193 0.000 1.212 5452 A CA 1.741 53.673 52.037 -0.174 0.000 0.605 5452 A CB -1.328 17.593 19.000 -0.130 0.000 0.861 5452 A HN 1.105 nan 8.150 nan 0.000 0.447 5453 A N -1.277 121.374 122.820 -0.281 0.000 2.084 5453 A HA 0.285 4.609 4.320 0.008 0.000 0.221 5453 A C 1.775 179.221 177.584 -0.230 0.000 1.161 5453 A CA 1.684 53.598 52.037 -0.205 0.000 0.653 5453 A CB -1.442 17.439 19.000 -0.198 0.000 0.802 5453 A HN 2.306 nan 8.150 nan 0.000 0.457 5454 G N -1.578 106.968 108.800 -0.424 0.000 2.531 5454 G HA2 -0.079 3.886 3.960 0.008 0.000 0.283 5454 G HA3 -0.079 3.886 3.960 0.008 0.000 0.283 5454 G C -0.055 174.807 174.900 -0.064 0.000 1.068 5454 G CA 0.198 45.159 45.100 -0.232 0.000 1.273 5454 G HN 1.637 nan 8.290 nan 0.000 0.532 5455 F N -1.834 118.105 119.950 -0.019 0.000 3.033 5455 F HA 0.306 4.837 4.527 0.006 0.000 0.332 5455 F C 1.198 176.984 175.800 -0.024 0.000 1.266 5455 F CA -0.188 57.802 58.000 -0.017 0.000 0.998 5455 F CB -0.499 38.492 39.000 -0.016 0.000 1.438 5455 F HN 0.221 nan 8.300 nan 0.000 0.501 5456 E N 1.967 122.183 120.200 0.026 0.000 2.510 5456 E HA -0.130 4.225 4.350 0.008 0.000 0.202 5456 E C 0.382 177.015 176.600 0.055 0.000 1.072 5456 E CA 0.815 57.220 56.400 0.009 0.000 0.883 5456 E CB -0.234 29.412 29.700 -0.091 0.000 0.818 5456 E HN 0.663 nan 8.360 nan 0.000 0.548 5457 K N 0.035 120.486 120.400 0.085 0.000 2.402 5457 K HA 0.335 4.660 4.320 0.008 0.000 0.204 5457 K C 0.250 176.897 176.600 0.078 0.000 1.056 5457 K CA 0.340 56.672 56.287 0.076 0.000 1.069 5457 K CB 1.398 33.934 32.500 0.060 0.000 0.888 5457 K HN 0.222 nan 8.250 nan 0.000 0.546 5458 G N 1.247 110.104 108.800 0.095 0.000 2.334 5458 G HA2 -0.003 3.962 3.960 0.008 0.000 0.566 5458 G HA3 -0.003 3.962 3.960 0.008 0.000 0.566 5458 G C -1.219 173.714 174.900 0.055 0.000 1.413 5458 G CA -1.198 43.942 45.100 0.067 0.000 0.993 5458 G HN 0.026 nan 8.290 nan 0.000 0.642 5459 I N 0.920 121.496 120.570 0.010 0.000 2.529 5459 I HA 0.166 4.341 4.170 0.008 0.000 0.284 5459 I C 0.296 176.408 176.117 -0.009 0.000 1.082 5459 I CA -0.410 60.872 61.300 -0.031 0.000 1.406 5459 I CB 1.131 39.097 38.000 -0.058 0.000 1.405 5459 I HN 0.438 nan 8.210 nan 0.000 0.548 5460 D N 7.116 127.509 120.400 -0.012 0.000 2.357 5460 D HA -0.015 4.630 4.640 0.008 0.000 0.265 5460 D C 1.359 177.655 176.300 -0.007 0.000 1.334 5460 D CA 0.104 54.105 54.000 0.002 0.000 0.984 5460 D CB 0.567 41.372 40.800 0.008 0.000 1.077 5460 D HN 0.431 nan 8.370 nan 0.000 0.514 5461 R N 2.886 123.386 120.500 -0.001 0.000 2.206 5461 R HA -0.320 4.025 4.340 0.008 0.000 0.240 5461 R C 2.099 178.396 176.300 -0.005 0.000 1.117 5461 R CA 2.532 58.630 56.100 -0.003 0.000 0.915 5461 R CB -1.079 29.223 30.300 0.003 0.000 0.888 5461 R HN 0.689 nan 8.270 nan 0.000 0.432 5462 E N 0.748 120.947 120.200 -0.001 0.000 2.187 5462 E HA -0.163 4.192 4.350 0.008 0.000 0.199 5462 E C 1.150 177.747 176.600 -0.005 0.000 1.004 5462 E CA 1.716 58.115 56.400 -0.001 0.000 0.813 5462 E CB -0.368 29.334 29.700 0.003 0.000 0.736 5462 E HN 0.599 nan 8.360 nan 0.000 0.468 5463 S N -0.369 115.326 115.700 -0.008 0.000 2.204 5463 S HA 0.427 4.902 4.470 0.008 0.000 0.147 5463 S C -0.700 173.883 174.600 -0.029 0.000 1.711 5463 S CA -0.544 57.648 58.200 -0.014 0.000 1.274 5463 S CB 0.589 63.785 63.200 -0.007 0.000 1.257 5463 S HN 0.382 nan 8.310 nan 0.000 0.404 5464 E N 2.679 122.859 120.200 -0.033 0.000 2.159 5464 E HA 0.152 4.507 4.350 0.008 0.000 0.272 5464 E C -1.599 174.967 176.600 -0.057 0.000 1.138 5464 E CA -2.219 54.151 56.400 -0.051 0.000 0.915 5464 E CB 0.654 30.329 29.700 -0.041 0.000 1.028 5464 E HN 0.331 nan 8.360 nan 0.000 0.423 5465 P HA -0.268 nan 4.420 nan 0.000 0.217 5465 P C 1.261 178.525 177.300 -0.060 0.000 1.158 5465 P CA 0.932 63.986 63.100 -0.077 0.000 0.887 5465 P CB 0.207 31.833 31.700 -0.123 0.000 0.792 5466 V N -0.787 119.087 119.914 -0.065 0.000 2.282 5466 V HA -0.244 3.881 4.120 0.008 0.000 0.249 5466 V C 2.360 178.433 176.094 -0.034 0.000 1.057 5466 V CA 1.699 63.970 62.300 -0.048 0.000 1.032 5466 V CB -1.351 30.442 31.823 -0.049 0.000 0.645 5466 V HN 0.110 nan 8.190 nan 0.000 0.447 5467 L N 0.970 122.174 121.223 -0.032 0.000 2.551 5467 L HA -0.094 4.251 4.340 0.008 0.000 0.230 5467 L C 1.681 178.539 176.870 -0.019 0.000 1.163 5467 L CA 1.410 56.236 54.840 -0.023 0.000 0.826 5467 L CB -0.409 41.638 42.059 -0.021 0.000 0.943 5467 L HN 0.553 nan 8.230 nan 0.000 0.452 5468 S N -1.992 113.695 115.700 -0.021 0.000 2.651 5468 S HA 0.425 4.900 4.470 0.008 0.000 0.246 5468 S C 0.129 174.720 174.600 -0.015 0.000 1.039 5468 S CA -0.640 57.550 58.200 -0.016 0.000 1.013 5468 S CB 0.125 63.316 63.200 -0.015 0.000 0.861 5468 S HN 0.105 nan 8.310 nan 0.000 0.485 5469 M N 3.039 122.629 119.600 -0.017 0.000 2.393 5469 M HA 0.460 4.945 4.480 0.008 0.000 0.316 5469 M C -2.724 173.569 176.300 -0.012 0.000 1.087 5469 M CA -2.010 53.281 55.300 -0.015 0.000 0.937 5469 M CB 1.664 34.252 32.600 -0.019 0.000 1.668 5469 M HN -0.038 nan 8.290 nan 0.000 0.438 5470 P HA 0.061 nan 4.420 nan 0.000 0.265 5470 P C -0.273 177.023 177.300 -0.007 0.000 1.222 5470 P CA 0.025 63.120 63.100 -0.007 0.000 0.767 5470 P CB 0.082 31.779 31.700 -0.005 0.000 0.801 5471 S N 2.957 118.652 115.700 -0.007 0.000 2.550 5471 S HA -0.043 4.432 4.470 0.008 0.000 0.285 5471 S C 1.237 175.834 174.600 -0.006 0.000 1.326 5471 S CA -0.166 58.030 58.200 -0.007 0.000 1.037 5471 S CB 0.223 63.419 63.200 -0.006 0.000 0.838 5471 S HN 0.333 nan 8.310 nan 0.000 0.519 5472 L N 0.093 121.312 121.223 -0.006 0.000 2.362 5472 L HA 0.309 4.654 4.340 0.008 0.000 0.204 5472 L C 0.537 177.405 176.870 -0.004 0.000 1.060 5472 L CA 0.168 55.006 54.840 -0.004 0.000 0.827 5472 L CB -1.583 40.474 42.059 -0.005 0.000 1.027 5472 L HN 0.860 nan 8.230 nan 0.000 0.474 5473 D N 0.000 120.398 120.400 -0.004 0.000 6.856 5473 D HA 0.000 4.645 4.640 0.008 0.000 0.175 5473 D CA 0.000 53.998 54.000 -0.003 0.000 0.868 5473 D CB 0.000 40.798 40.800 -0.003 0.000 0.688 5473 D HN 0.000 nan 8.370 nan 0.000 0.683