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 3a0h_1_o DATA FIRST_RESID 5030 DATA SEQUENCE TLTYDDIVGT GLANKcPTLD DTARGAYPID SSQTYRIARL cLQPTTFLVK DATA SEQUENCE EEPKNKRQEA EFVPTKLVTR ETTSLDQIQG ELKVNSDGSL TFVEEDGIDF DATA SEQUENCE QPVTVQMAGG ERIPLLFTVK NLVASTQPNV TSITTSTDFK GEFNVPSYRT DATA SEQUENCE ANFLDPKGRG LASGYDSAIA LPQAKEEELA RANVKRFSLT KGQISLNVAK DATA SEQUENCE VDGRTGEIAG TFESEQLSDD DMGAHEPHEV KIQGVFYASI EP 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 5030 T HA 0.000 nan 4.350 nan 0.000 0.228 5030 T C 0.000 174.705 174.700 0.009 0.000 1.109 5030 T CA 0.000 62.104 62.100 0.007 0.000 1.349 5030 T CB 0.000 68.869 68.868 0.001 0.000 0.612 5031 L N 3.612 124.841 121.223 0.009 0.000 2.289 5031 L HA 0.710 5.051 4.340 0.001 0.000 0.285 5031 L C 0.793 177.679 176.870 0.026 0.000 1.049 5031 L CA -0.679 54.167 54.840 0.010 0.000 0.804 5031 L CB 1.631 43.689 42.059 -0.002 0.000 1.195 5031 L HN 0.343 nan 8.230 nan 0.000 0.428 5032 T N -1.710 112.864 114.554 0.034 0.000 2.899 5032 T HA 0.140 4.490 4.350 0.001 0.000 0.284 5032 T C 0.958 175.713 174.700 0.092 0.000 1.004 5032 T CA -0.349 61.792 62.100 0.069 0.000 1.043 5032 T CB 0.805 69.715 68.868 0.069 0.000 1.013 5032 T HN 0.553 nan 8.240 nan 0.000 0.518 5033 Y N 0.962 121.267 120.300 0.008 0.000 2.165 5033 Y HA -0.182 4.369 4.550 0.000 0.000 0.286 5033 Y C 2.128 178.032 175.900 0.008 0.000 1.155 5033 Y CA 1.990 60.095 58.100 0.009 0.000 1.164 5033 Y CB -0.276 38.190 38.460 0.009 0.000 0.978 5033 Y HN 0.722 nan 8.280 nan 0.000 0.513 5034 D N -0.180 120.388 120.400 0.279 0.000 2.378 5034 D HA -0.129 4.512 4.640 0.001 0.000 0.222 5034 D C 1.157 177.482 176.300 0.042 0.000 0.980 5034 D CA 1.225 55.329 54.000 0.173 0.000 0.907 5034 D CB -0.198 40.689 40.800 0.145 0.000 0.899 5034 D HN 0.577 nan 8.370 nan 0.000 0.527 5035 D N -1.330 119.078 120.400 0.012 0.000 2.379 5035 D HA 0.151 4.792 4.640 0.001 0.000 0.218 5035 D C 1.859 178.126 176.300 -0.055 0.000 1.006 5035 D CA 0.229 54.221 54.000 -0.013 0.000 0.893 5035 D CB 0.496 41.297 40.800 0.002 0.000 1.019 5035 D HN 0.103 nan 8.370 nan 0.000 0.503 5036 I N 0.057 120.566 120.570 -0.102 0.000 3.645 5036 I HA 0.104 4.275 4.170 0.001 0.000 0.300 5036 I C 0.440 176.427 176.117 -0.217 0.000 1.260 5036 I CA -0.082 61.138 61.300 -0.133 0.000 1.365 5036 I CB 1.060 38.992 38.000 -0.113 0.000 1.077 5036 I HN -0.126 nan 8.210 nan 0.000 0.439 5037 V N 1.885 121.584 119.914 -0.358 0.000 2.585 5037 V HA 0.266 4.386 4.120 0.001 0.000 0.296 5037 V C 1.186 177.168 176.094 -0.186 0.000 1.035 5037 V CA 1.590 63.638 62.300 -0.421 0.000 1.084 5037 V CB 0.511 31.948 31.823 -0.643 0.000 0.953 5037 V HN 0.704 nan 8.190 nan 0.000 0.483 5038 G N 4.194 112.915 108.800 -0.133 0.000 2.349 5038 G HA2 -0.320 3.641 3.960 0.001 0.000 0.213 5038 G HA3 -0.320 3.641 3.960 0.001 0.000 0.213 5038 G C 1.019 175.886 174.900 -0.055 0.000 1.044 5038 G CA 0.872 45.931 45.100 -0.068 0.000 0.633 5038 G HN 1.393 nan 8.290 nan 0.000 0.506 5039 T N -0.169 114.346 114.554 -0.065 0.000 2.929 5039 T HA 0.307 4.657 4.350 0.001 0.000 0.271 5039 T C 2.607 177.285 174.700 -0.037 0.000 1.085 5039 T CA 1.884 63.956 62.100 -0.047 0.000 1.125 5039 T CB -0.510 68.329 68.868 -0.049 0.000 0.874 5039 T HN 2.413 nan 8.240 nan 0.000 0.494 5040 G N 0.768 109.543 108.800 -0.041 0.000 2.198 5040 G HA2 -0.208 3.753 3.960 0.001 0.000 0.257 5040 G HA3 -0.208 3.753 3.960 0.001 0.000 0.257 5040 G C 0.464 175.354 174.900 -0.018 0.000 1.042 5040 G CA 0.284 45.371 45.100 -0.023 0.000 0.791 5040 G HN 0.471 nan 8.290 nan 0.000 0.502 5041 L N -0.117 121.088 121.223 -0.031 0.000 2.221 5041 L HA 0.414 4.754 4.340 0.001 0.000 0.202 5041 L C 2.830 179.694 176.870 -0.009 0.000 1.074 5041 L CA 2.294 57.121 54.840 -0.021 0.000 0.795 5041 L CB -1.126 40.913 42.059 -0.034 0.000 0.960 5041 L HN 0.606 nan 8.230 nan 0.000 0.458 5042 A N 0.152 122.958 122.820 -0.024 0.000 2.245 5042 A HA -0.267 4.054 4.320 0.001 0.000 0.217 5042 A C 1.797 179.398 177.584 0.028 0.000 1.171 5042 A CA 1.866 53.901 52.037 -0.004 0.000 0.688 5042 A CB -0.846 18.141 19.000 -0.023 0.000 0.781 5042 A HN 0.634 nan 8.150 nan 0.000 0.479 5043 N N -0.676 118.043 118.700 0.032 0.000 2.356 5043 N HA 0.020 4.761 4.740 0.001 0.000 0.178 5043 N C -0.086 175.470 175.510 0.078 0.000 1.075 5043 N CA 0.366 53.453 53.050 0.061 0.000 0.889 5043 N CB 0.104 38.625 38.487 0.057 0.000 0.999 5043 N HN 0.437 nan 8.380 nan 0.000 0.464 5044 K N 0.492 120.926 120.400 0.057 0.000 2.185 5044 K HA 0.412 4.732 4.320 0.001 0.000 0.269 5044 K C -0.675 175.963 176.600 0.065 0.000 0.987 5044 K CA -0.897 55.427 56.287 0.062 0.000 0.865 5044 K CB 1.504 34.023 32.500 0.031 0.000 1.090 5044 K HN 0.153 nan 8.250 nan 0.000 0.450 5045 c N 0.495 119.150 118.600 0.093 0.000 2.493 5045 c HA 0.574 5.145 4.570 0.001 0.000 0.326 5045 c C -2.549 171.585 174.090 0.073 0.000 1.200 5045 c CA -2.521 53.872 56.329 0.106 0.000 1.739 5045 c CB 0.517 43.128 42.510 0.169 0.000 2.300 5045 c HN 0.675 nan 8.230 nan 0.000 0.500 5046 P HA -0.059 nan 4.420 nan 0.000 0.268 5046 P C 0.117 177.243 177.300 -0.290 0.000 1.122 5046 P CA 1.367 64.348 63.100 -0.198 0.000 0.747 5046 P CB 0.233 31.707 31.700 -0.376 0.000 0.711 5047 T N 2.445 116.835 114.554 -0.273 0.000 2.938 5047 T HA 0.747 5.098 4.350 0.001 0.000 0.285 5047 T C -0.111 174.423 174.700 -0.276 0.000 1.028 5047 T CA -0.845 61.121 62.100 -0.224 0.000 1.005 5047 T CB 1.004 69.792 68.868 -0.134 0.000 1.157 5047 T HN 0.175 nan 8.240 nan 0.000 0.550 5048 L N 1.388 122.493 121.223 -0.195 0.000 2.406 5048 L HA 0.427 4.767 4.340 0.001 0.000 0.272 5048 L C -0.660 176.149 176.870 -0.102 0.000 0.980 5048 L CA -1.063 53.681 54.840 -0.160 0.000 0.831 5048 L CB 1.968 43.942 42.059 -0.142 0.000 1.253 5048 L HN 0.578 nan 8.230 nan 0.000 0.406 5049 D N 1.439 121.790 120.400 -0.082 0.000 2.361 5049 D HA -0.011 4.629 4.640 0.001 0.000 0.239 5049 D C 0.356 176.629 176.300 -0.045 0.000 1.200 5049 D CA 0.080 54.045 54.000 -0.058 0.000 0.915 5049 D CB 1.064 41.835 40.800 -0.048 0.000 1.170 5049 D HN 0.435 nan 8.370 nan 0.000 0.444 5050 D N 0.860 121.239 120.400 -0.036 0.000 2.906 5050 D HA -0.048 4.593 4.640 0.001 0.000 0.237 5050 D C 0.066 176.355 176.300 -0.019 0.000 1.201 5050 D CA 0.590 54.574 54.000 -0.027 0.000 0.998 5050 D CB -0.147 40.639 40.800 -0.023 0.000 1.183 5050 D HN 0.192 nan 8.370 nan 0.000 0.436 5051 T N -0.548 113.996 114.554 -0.018 0.000 3.228 5051 T HA 0.310 4.660 4.350 0.001 0.000 0.278 5051 T C 0.607 175.305 174.700 -0.003 0.000 1.014 5051 T CA -0.433 61.662 62.100 -0.009 0.000 0.904 5051 T CB 0.859 69.722 68.868 -0.008 0.000 1.110 5051 T HN 0.173 nan 8.240 nan 0.000 0.541 5052 A N 1.908 124.723 122.820 -0.007 0.000 2.239 5052 A HA 0.853 5.174 4.320 0.001 0.000 0.303 5052 A C 1.193 178.781 177.584 0.006 0.000 1.114 5052 A CA -0.274 51.763 52.037 -0.001 0.000 0.871 5052 A CB 0.490 19.481 19.000 -0.014 0.000 1.201 5052 A HN 0.552 nan 8.150 nan 0.000 0.506 5053 R N -2.128 118.381 120.500 0.014 0.000 2.851 5053 R HA -0.118 4.223 4.340 0.001 0.000 0.476 5053 R C 0.354 176.671 176.300 0.027 0.000 0.540 5053 R CA 0.947 57.059 56.100 0.019 0.000 1.384 5053 R CB -2.239 28.068 30.300 0.012 0.000 2.051 5053 R HN 1.757 nan 8.270 nan 0.000 0.360 5054 G N 1.815 110.633 108.800 0.031 0.000 2.519 5054 G HA2 0.600 4.560 3.960 0.001 0.000 0.306 5054 G HA3 0.600 4.560 3.960 0.001 0.000 0.306 5054 G C 0.569 175.504 174.900 0.059 0.000 0.965 5054 G CA 0.208 45.330 45.100 0.037 0.000 1.291 5054 G HN 0.631 nan 8.290 nan 0.000 0.450 5055 A N 2.872 125.725 122.820 0.055 0.000 2.555 5055 A HA 0.283 4.603 4.320 0.001 0.000 0.233 5055 A C -0.200 177.446 177.584 0.104 0.000 1.060 5055 A CA -0.070 52.014 52.037 0.079 0.000 0.759 5055 A CB 0.125 19.157 19.000 0.052 0.000 0.995 5055 A HN 0.809 nan 8.150 nan 0.000 0.506 5056 Y N 4.290 124.598 120.300 0.013 0.000 2.336 5056 Y HA 0.400 4.951 4.550 0.001 0.000 0.335 5056 Y C -1.892 174.008 175.900 -0.000 0.000 1.046 5056 Y CA -2.325 55.780 58.100 0.008 0.000 1.198 5056 Y CB 1.057 39.513 38.460 -0.006 0.000 1.182 5056 Y HN 0.478 nan 8.280 nan 0.000 0.502 5057 P HA 0.044 nan 4.420 nan 0.000 0.266 5057 P C -0.458 176.639 177.300 -0.338 0.000 1.419 5057 P CA 0.098 62.983 63.100 -0.358 0.000 1.112 5057 P CB -0.331 31.196 31.700 -0.289 0.000 1.438 5058 I N 0.651 121.144 120.570 -0.129 0.000 2.575 5058 I HA 0.261 4.432 4.170 0.001 0.000 0.285 5058 I C 0.711 176.915 176.117 0.145 0.000 1.085 5058 I CA 0.219 61.496 61.300 -0.038 0.000 1.403 5058 I CB 0.549 38.505 38.000 -0.074 0.000 1.409 5058 I HN 0.047 nan 8.210 nan 0.000 0.557 5059 D N 2.577 123.226 120.400 0.416 0.000 2.296 5059 D HA 0.007 4.648 4.640 0.001 0.000 0.248 5059 D C 1.157 177.559 176.300 0.169 0.000 1.162 5059 D CA 1.835 55.981 54.000 0.244 0.000 0.956 5059 D CB 0.851 41.766 40.800 0.192 0.000 1.011 5059 D HN 0.811 nan 8.370 nan 0.000 0.404 5060 S N -2.437 113.378 115.700 0.191 0.000 1.734 5060 S HA -0.096 4.374 4.470 0.001 0.000 0.246 5060 S C 0.655 175.304 174.600 0.082 0.000 1.279 5060 S CA 0.940 59.215 58.200 0.124 0.000 1.101 5060 S CB -1.523 61.724 63.200 0.079 0.000 1.382 5060 S HN 0.167 nan 8.310 nan 0.000 0.598 5061 S N 0.888 116.628 115.700 0.067 0.000 2.603 5061 S HA 0.396 4.867 4.470 0.001 0.000 0.232 5061 S C -0.089 174.494 174.600 -0.028 0.000 1.016 5061 S CA -0.301 57.910 58.200 0.019 0.000 0.976 5061 S CB 0.638 63.844 63.200 0.010 0.000 0.921 5061 S HN 0.455 nan 8.310 nan 0.000 0.516 5062 Q N 0.682 120.450 119.800 -0.053 0.000 2.340 5062 Q HA 0.334 4.675 4.340 0.001 0.000 0.268 5062 Q C 0.756 176.624 176.000 -0.220 0.000 1.031 5062 Q CA -0.111 55.525 55.803 -0.279 0.000 0.804 5062 Q CB 1.820 30.135 28.738 -0.705 0.000 1.286 5062 Q HN 0.138 nan 8.270 nan 0.000 0.448 5063 T N 1.983 116.429 114.554 -0.181 0.000 2.652 5063 T HA -0.117 4.234 4.350 0.001 0.000 0.267 5063 T C -0.331 174.431 174.700 0.103 0.000 1.039 5063 T CA 1.343 63.427 62.100 -0.028 0.000 1.153 5063 T CB -0.266 68.587 68.868 -0.025 0.000 0.863 5063 T HN 0.594 nan 8.240 nan 0.000 0.428 5064 Y N 0.792 121.140 120.300 0.080 0.000 2.557 5064 Y HA -0.165 4.385 4.550 0.001 0.000 0.028 5064 Y C 0.337 176.288 175.900 0.085 0.000 1.751 5064 Y CA 0.175 58.332 58.100 0.095 0.000 1.382 5064 Y CB -0.117 38.419 38.460 0.126 0.000 2.030 5064 Y HN 0.394 nan 8.280 nan 0.000 0.262 5065 R N 3.261 123.913 120.500 0.253 0.000 2.799 5065 R HA 0.801 5.141 4.340 0.001 0.000 0.270 5065 R C -1.407 174.969 176.300 0.127 0.000 1.010 5065 R CA -0.941 55.264 56.100 0.175 0.000 0.916 5065 R CB 1.581 31.952 30.300 0.119 0.000 1.228 5065 R HN 0.578 nan 8.270 nan 0.000 0.469 5066 I N 1.622 122.266 120.570 0.122 0.000 2.498 5066 I HA 0.458 4.629 4.170 0.001 0.000 0.301 5066 I C -0.193 175.909 176.117 -0.024 0.000 0.984 5066 I CA -0.936 60.357 61.300 -0.013 0.000 1.204 5066 I CB 1.929 39.828 38.000 -0.169 0.000 1.362 5066 I HN 0.658 nan 8.210 nan 0.000 0.471 5067 A N 5.301 128.065 122.820 -0.094 0.000 2.318 5067 A HA 0.583 4.903 4.320 0.001 0.000 0.317 5067 A C 0.043 177.534 177.584 -0.155 0.000 1.159 5067 A CA -0.778 51.212 52.037 -0.080 0.000 0.799 5067 A CB 0.612 19.583 19.000 -0.048 0.000 1.194 5067 A HN 0.937 nan 8.150 nan 0.000 0.479 5068 R N 1.099 121.528 120.500 -0.118 0.000 2.607 5068 R HA -0.160 4.181 4.340 0.001 0.000 0.261 5068 R C -0.804 175.337 176.300 -0.265 0.000 0.918 5068 R CA 0.689 56.701 56.100 -0.147 0.000 0.760 5068 R CB -1.722 28.523 30.300 -0.092 0.000 1.899 5068 R HN 1.128 nan 8.270 nan 0.000 0.528 5069 L N 4.093 125.155 121.223 -0.269 0.000 2.361 5069 L HA 0.401 4.742 4.340 0.001 0.000 0.278 5069 L C -0.287 176.453 176.870 -0.217 0.000 1.113 5069 L CA -0.556 54.084 54.840 -0.334 0.000 0.849 5069 L CB 1.264 43.045 42.059 -0.463 0.000 1.155 5069 L HN 0.633 nan 8.230 nan 0.000 0.452 5070 c N 7.001 125.525 118.600 -0.128 0.000 2.379 5070 c HA 0.660 5.231 4.570 0.001 0.000 0.323 5070 c C -0.393 173.789 174.090 0.154 0.000 1.262 5070 c CA -0.929 55.403 56.329 0.004 0.000 1.581 5070 c CB 0.204 42.760 42.510 0.077 0.000 2.221 5070 c HN 0.872 nan 8.230 nan 0.000 0.497 5071 L N 6.380 127.662 121.223 0.098 0.000 2.318 5071 L HA 0.476 4.817 4.340 0.001 0.000 0.277 5071 L C -0.144 177.015 176.870 0.482 0.000 1.008 5071 L CA -0.053 54.943 54.840 0.259 0.000 0.846 5071 L CB 1.035 42.890 42.059 -0.340 0.000 1.220 5071 L HN 0.728 nan 8.230 nan 0.000 0.423 5072 Q N 6.334 126.496 119.800 0.603 0.000 2.257 5072 Q HA 0.555 4.896 4.340 0.001 0.000 0.255 5072 Q C -2.600 173.694 176.000 0.490 0.000 0.920 5072 Q CA -1.488 54.577 55.803 0.438 0.000 0.927 5072 Q CB 2.468 31.361 28.738 0.258 0.000 1.229 5072 Q HN 0.264 nan 8.270 nan 0.000 0.433 5073 P HA 0.304 nan 4.420 nan 0.000 0.290 5073 P C -0.840 176.561 177.300 0.169 0.000 1.307 5073 P CA -0.363 62.927 63.100 0.317 0.000 0.948 5073 P CB 2.605 34.562 31.700 0.428 0.000 1.312 5074 T N -2.160 112.456 114.554 0.102 0.000 3.236 5074 T HA 0.142 4.493 4.350 0.001 0.000 0.265 5074 T C -0.123 174.622 174.700 0.075 0.000 0.912 5074 T CA 0.637 62.766 62.100 0.048 0.000 0.946 5074 T CB -0.374 68.484 68.868 -0.016 0.000 1.241 5074 T HN 0.358 nan 8.240 nan 0.000 0.513 5075 T N 2.862 117.482 114.554 0.109 0.000 2.821 5075 T HA 0.604 4.954 4.350 0.001 0.000 0.307 5075 T C -1.475 173.373 174.700 0.247 0.000 1.034 5075 T CA -0.291 61.877 62.100 0.114 0.000 0.953 5075 T CB 0.167 69.029 68.868 -0.011 0.000 0.968 5075 T HN 0.086 nan 8.240 nan 0.000 0.462 5076 F N 3.603 123.484 119.950 -0.115 0.000 2.388 5076 F HA 0.521 5.049 4.527 0.002 0.000 0.358 5076 F C 0.013 175.756 175.800 -0.095 0.000 1.122 5076 F CA -1.680 56.251 58.000 -0.115 0.000 1.056 5076 F CB 0.792 39.737 39.000 -0.091 0.000 1.155 5076 F HN 0.299 nan 8.300 nan 0.000 0.461 5077 L N 4.349 125.562 121.223 -0.018 0.000 2.333 5077 L HA 0.592 4.933 4.340 0.001 0.000 0.280 5077 L C -0.722 176.186 176.870 0.064 0.000 1.004 5077 L CA -1.000 53.812 54.840 -0.046 0.000 0.820 5077 L CB 2.016 43.907 42.059 -0.280 0.000 1.247 5077 L HN 0.144 nan 8.230 nan 0.000 0.416 5078 V N 3.429 123.467 119.914 0.206 0.000 2.333 5078 V HA 0.153 4.274 4.120 0.001 0.000 0.274 5078 V C 0.459 176.774 176.094 0.369 0.000 1.028 5078 V CA -0.741 61.728 62.300 0.283 0.000 0.851 5078 V CB 1.231 33.181 31.823 0.212 0.000 1.000 5078 V HN 0.636 nan 8.190 nan 0.000 0.456 5079 K N 4.515 125.161 120.400 0.410 0.000 2.402 5079 K HA -0.013 4.308 4.320 0.001 0.000 0.279 5079 K C 0.456 177.011 176.600 -0.076 0.000 1.082 5079 K CA 0.065 56.314 56.287 -0.063 0.000 1.080 5079 K CB 0.268 32.436 32.500 -0.554 0.000 0.899 5079 K HN 0.796 nan 8.250 nan 0.000 0.469 5080 E N 4.112 124.283 120.200 -0.049 0.000 2.498 5080 E HA -0.094 4.257 4.350 0.001 0.000 0.252 5080 E C -0.532 175.973 176.600 -0.158 0.000 1.025 5080 E CA -0.121 56.244 56.400 -0.059 0.000 0.938 5080 E CB 0.482 30.173 29.700 -0.015 0.000 0.947 5080 E HN 0.392 nan 8.360 nan 0.000 0.478 5081 E N 5.758 125.811 120.200 -0.245 0.000 2.562 5081 E HA 0.009 4.359 4.350 0.001 0.000 0.241 5081 E C -2.142 174.374 176.600 -0.140 0.000 1.136 5081 E CA -1.111 55.125 56.400 -0.273 0.000 0.952 5081 E CB 0.078 29.590 29.700 -0.314 0.000 0.975 5081 E HN 0.397 nan 8.360 nan 0.000 0.494 5082 P HA -0.018 nan 4.420 nan 0.000 0.268 5082 P C -0.097 177.166 177.300 -0.062 0.000 1.205 5082 P CA 0.052 63.101 63.100 -0.085 0.000 0.771 5082 P CB 0.635 32.281 31.700 -0.090 0.000 0.858 5083 K N 1.731 122.106 120.400 -0.042 0.000 2.156 5083 K HA 0.096 4.417 4.320 0.001 0.000 0.242 5083 K C 1.396 177.978 176.600 -0.029 0.000 1.033 5083 K CA -0.491 55.779 56.287 -0.028 0.000 0.878 5083 K CB 0.078 32.568 32.500 -0.018 0.000 1.057 5083 K HN 0.249 nan 8.250 nan 0.000 0.505 5084 N N 1.190 119.877 118.700 -0.021 0.000 2.149 5084 N HA -0.125 4.615 4.740 0.001 0.000 0.188 5084 N C -0.436 175.061 175.510 -0.022 0.000 1.019 5084 N CA 1.017 54.054 53.050 -0.021 0.000 0.857 5084 N CB -0.246 38.233 38.487 -0.014 0.000 0.997 5084 N HN 0.458 nan 8.380 nan 0.000 0.426 5085 K N 0.732 121.120 120.400 -0.020 0.000 2.484 5085 K HA 0.038 4.358 4.320 0.001 0.000 0.280 5085 K C 0.437 177.021 176.600 -0.026 0.000 1.013 5085 K CA -0.006 56.269 56.287 -0.020 0.000 1.029 5085 K CB 0.483 32.973 32.500 -0.017 0.000 0.902 5085 K HN -0.259 nan 8.250 nan 0.000 0.481 5086 R N 2.204 122.689 120.500 -0.025 0.000 3.298 5086 R HA -0.014 4.327 4.340 0.001 0.000 0.249 5086 R C -0.517 175.766 176.300 -0.028 0.000 1.563 5086 R CA 0.112 56.195 56.100 -0.028 0.000 1.378 5086 R CB -0.531 29.754 30.300 -0.024 0.000 1.250 5086 R HN 0.834 nan 8.270 nan 0.000 0.580 5087 Q N 0.155 119.939 119.800 -0.028 0.000 2.357 5087 Q HA 0.212 4.553 4.340 0.001 0.000 0.266 5087 Q C -1.001 174.980 176.000 -0.031 0.000 1.021 5087 Q CA -0.816 54.972 55.803 -0.025 0.000 0.784 5087 Q CB 1.454 30.181 28.738 -0.018 0.000 1.243 5087 Q HN 0.185 nan 8.270 nan 0.000 0.465 5088 E N 1.955 122.134 120.200 -0.035 0.000 1.121 5088 E HA -0.270 4.080 4.350 0.001 0.000 0.340 5088 E C -1.087 175.478 176.600 -0.059 0.000 1.411 5088 E CA 0.351 56.725 56.400 -0.043 0.000 1.268 5088 E CB -0.156 29.527 29.700 -0.027 0.000 0.516 5088 E HN 0.800 nan 8.360 nan 0.000 0.350 5089 A N 4.698 127.465 122.820 -0.089 0.000 2.445 5089 A HA 0.188 4.509 4.320 0.001 0.000 0.242 5089 A C 0.327 177.830 177.584 -0.135 0.000 1.075 5089 A CA -0.054 51.912 52.037 -0.119 0.000 0.777 5089 A CB 0.676 19.579 19.000 -0.160 0.000 1.013 5089 A HN 0.628 nan 8.150 nan 0.000 0.493 5090 E N -0.096 120.034 120.200 -0.117 0.000 2.232 5090 E HA 0.479 4.829 4.350 0.001 0.000 0.265 5090 E C -1.432 175.124 176.600 -0.074 0.000 1.001 5090 E CA -0.372 55.987 56.400 -0.070 0.000 0.870 5090 E CB 1.198 30.897 29.700 -0.002 0.000 1.175 5090 E HN 0.530 nan 8.360 nan 0.000 0.407 5091 F N 1.566 121.513 119.950 -0.004 0.000 2.449 5091 F HA 0.182 4.710 4.527 0.001 0.000 0.344 5091 F C -0.090 175.717 175.800 0.012 0.000 1.180 5091 F CA -0.766 57.236 58.000 0.003 0.000 1.209 5091 F CB 0.817 39.819 39.000 0.003 0.000 1.440 5091 F HN 0.059 nan 8.300 nan 0.000 0.526 5092 V N 3.720 123.770 119.914 0.227 0.000 3.237 5092 V HA 0.116 4.236 4.120 0.001 0.000 0.305 5092 V C -1.906 174.253 176.094 0.110 0.000 1.096 5092 V CA -1.086 61.294 62.300 0.133 0.000 1.130 5092 V CB 0.427 32.311 31.823 0.101 0.000 1.048 5092 V HN 0.374 nan 8.190 nan 0.000 0.484 5093 P HA 0.385 nan 4.420 nan 0.000 0.293 5093 P C -0.968 176.363 177.300 0.051 0.000 1.291 5093 P CA -0.274 62.855 63.100 0.048 0.000 0.867 5093 P CB 1.739 33.455 31.700 0.027 0.000 1.074 5094 T N -0.770 113.816 114.554 0.052 0.000 2.924 5094 T HA 0.549 4.900 4.350 0.001 0.000 0.291 5094 T C -0.258 174.440 174.700 -0.005 0.000 1.045 5094 T CA -0.962 61.162 62.100 0.040 0.000 1.015 5094 T CB 1.419 70.330 68.868 0.071 0.000 1.103 5094 T HN 0.175 nan 8.240 nan 0.000 0.496 5095 K N 1.246 121.635 120.400 -0.018 0.000 2.201 5095 K HA 0.527 4.848 4.320 0.001 0.000 0.278 5095 K C -0.458 176.090 176.600 -0.087 0.000 1.027 5095 K CA -0.893 55.365 56.287 -0.049 0.000 0.909 5095 K CB 1.202 33.685 32.500 -0.028 0.000 1.062 5095 K HN 0.480 nan 8.250 nan 0.000 0.465 5096 L N 3.610 124.749 121.223 -0.140 0.000 2.397 5096 L HA 0.072 4.412 4.340 0.001 0.000 0.271 5096 L C 0.248 177.059 176.870 -0.099 0.000 1.148 5096 L CA 0.430 55.158 54.840 -0.187 0.000 0.825 5096 L CB 1.106 43.016 42.059 -0.249 0.000 1.117 5096 L HN 0.575 nan 8.230 nan 0.000 0.456 5097 V N 1.132 121.002 119.914 -0.073 0.000 3.355 5097 V HA 0.091 4.211 4.120 0.001 0.000 0.210 5097 V C 0.642 176.728 176.094 -0.015 0.000 1.157 5097 V CA 0.740 63.024 62.300 -0.027 0.000 1.336 5097 V CB -0.115 31.708 31.823 0.001 0.000 1.317 5097 V HN 0.940 nan 8.190 nan 0.000 0.503 5098 T N 3.162 117.721 114.554 0.010 0.000 2.695 5098 T HA -0.017 4.334 4.350 0.001 0.000 0.264 5098 T C 0.386 175.092 174.700 0.011 0.000 0.993 5098 T CA -0.357 61.759 62.100 0.027 0.000 1.248 5098 T CB -0.755 68.151 68.868 0.063 0.000 0.946 5098 T HN 0.581 nan 8.240 nan 0.000 0.526 5099 R N 2.982 123.486 120.500 0.006 0.000 2.480 5099 R HA 0.024 4.365 4.340 0.001 0.000 0.303 5099 R C 0.268 176.576 176.300 0.014 0.000 0.985 5099 R CA -0.173 55.927 56.100 -0.001 0.000 1.051 5099 R CB 0.057 30.356 30.300 -0.001 0.000 0.935 5099 R HN 0.702 nan 8.270 nan 0.000 0.410 5100 E N -0.052 120.154 120.200 0.009 0.000 3.760 5100 E HA -0.272 4.079 4.350 0.001 0.000 0.317 5100 E C 0.912 177.550 176.600 0.064 0.000 0.730 5100 E CA 2.201 58.620 56.400 0.032 0.000 1.106 5100 E CB -1.593 28.121 29.700 0.025 0.000 1.574 5100 E HN 0.923 nan 8.360 nan 0.000 0.451 5101 T N -1.730 112.868 114.554 0.073 0.000 3.400 5101 T HA 0.049 4.400 4.350 0.001 0.000 0.254 5101 T C 1.358 176.151 174.700 0.155 0.000 1.153 5101 T CA 1.589 63.752 62.100 0.104 0.000 1.012 5101 T CB 0.005 68.935 68.868 0.103 0.000 0.994 5101 T HN 0.294 nan 8.240 nan 0.000 0.555 5102 T N -0.028 114.626 114.554 0.166 0.000 2.866 5102 T HA 0.168 4.519 4.350 0.001 0.000 0.250 5102 T C 1.153 176.078 174.700 0.375 0.000 1.033 5102 T CA 0.595 62.862 62.100 0.278 0.000 1.145 5102 T CB -0.441 68.562 68.868 0.226 0.000 0.866 5102 T HN 0.436 nan 8.240 nan 0.000 0.434 5103 S N 0.701 116.576 115.700 0.292 0.000 2.572 5103 S HA 0.453 4.924 4.470 0.001 0.000 0.267 5103 S C -0.549 174.151 174.600 0.166 0.000 1.361 5103 S CA -0.319 58.061 58.200 0.300 0.000 1.009 5103 S CB -0.097 63.238 63.200 0.226 0.000 0.888 5103 S HN 0.547 nan 8.310 nan 0.000 0.553 5104 L N 1.450 122.720 121.223 0.078 0.000 2.455 5104 L HA 0.977 5.318 4.340 0.001 0.000 0.264 5104 L C -0.843 175.967 176.870 -0.099 0.000 0.968 5104 L CA -0.730 54.054 54.840 -0.093 0.000 0.827 5104 L CB 2.153 44.029 42.059 -0.305 0.000 1.317 5104 L HN 0.705 nan 8.230 nan 0.000 0.407 5105 D N -0.368 119.967 120.400 -0.109 0.000 3.309 5105 D HA 0.331 4.971 4.640 0.001 0.000 0.335 5105 D C -0.519 175.715 176.300 -0.111 0.000 1.393 5105 D CA -0.197 53.745 54.000 -0.097 0.000 0.963 5105 D CB 0.304 41.087 40.800 -0.028 0.000 1.431 5105 D HN 0.544 nan 8.370 nan 0.000 0.583 5106 Q N -1.053 118.695 119.800 -0.087 0.000 2.503 5106 Q HA -0.127 4.214 4.340 0.001 0.000 0.267 5106 Q C -0.567 175.380 176.000 -0.087 0.000 1.030 5106 Q CA 0.683 56.441 55.803 -0.075 0.000 1.041 5106 Q CB -1.938 26.761 28.738 -0.064 0.000 1.406 5106 Q HN 0.600 nan 8.270 nan 0.000 0.524 5107 I N 1.845 122.353 120.570 -0.103 0.000 2.395 5107 I HA 0.137 4.308 4.170 0.001 0.000 0.289 5107 I C 0.933 177.046 176.117 -0.006 0.000 1.023 5107 I CA 0.068 61.328 61.300 -0.066 0.000 1.350 5107 I CB 0.972 38.922 38.000 -0.084 0.000 1.409 5107 I HN 0.057 nan 8.210 nan 0.000 0.507 5108 Q N 4.959 124.802 119.800 0.071 0.000 2.421 5108 Q HA 0.894 5.235 4.340 0.001 0.000 0.280 5108 Q C -0.850 175.282 176.000 0.220 0.000 1.085 5108 Q CA -1.171 54.710 55.803 0.130 0.000 0.807 5108 Q CB 3.055 31.822 28.738 0.048 0.000 1.405 5108 Q HN 0.787 nan 8.270 nan 0.000 0.419 5109 G N 0.799 109.798 108.800 0.331 0.000 2.473 5109 G HA2 0.265 4.226 3.960 0.001 0.000 0.298 5109 G HA3 0.265 4.226 3.960 0.001 0.000 0.298 5109 G C -1.531 173.473 174.900 0.173 0.000 1.575 5109 G CA -0.763 44.401 45.100 0.108 0.000 0.846 5109 G HN 0.855 nan 8.290 nan 0.000 0.585 5110 E N 0.174 120.392 120.200 0.030 0.000 2.452 5110 E HA 0.215 4.565 4.350 0.001 0.000 0.261 5110 E C -0.556 176.129 176.600 0.142 0.000 0.987 5110 E CA -0.433 56.015 56.400 0.081 0.000 0.926 5110 E CB 1.379 31.096 29.700 0.029 0.000 0.934 5110 E HN 0.404 nan 8.360 nan 0.000 0.452 5111 L N 3.964 125.318 121.223 0.219 0.000 2.287 5111 L HA 0.284 4.624 4.340 0.001 0.000 0.280 5111 L C -0.557 176.429 176.870 0.193 0.000 1.055 5111 L CA -0.445 54.550 54.840 0.258 0.000 0.863 5111 L CB 0.367 42.582 42.059 0.259 0.000 1.245 5111 L HN 0.491 nan 8.230 nan 0.000 0.432 5112 K N 3.030 123.514 120.400 0.139 0.000 2.382 5112 K HA 0.314 4.635 4.320 0.001 0.000 0.275 5112 K C -0.465 176.200 176.600 0.108 0.000 1.009 5112 K CA -0.149 56.201 56.287 0.104 0.000 0.970 5112 K CB 0.973 33.509 32.500 0.060 0.000 0.934 5112 K HN 0.460 nan 8.250 nan 0.000 0.479 5113 V N 3.349 123.326 119.914 0.105 0.000 2.271 5113 V HA 0.047 4.168 4.120 0.001 0.000 0.259 5113 V C -0.521 175.611 176.094 0.063 0.000 1.030 5113 V CA -1.167 61.190 62.300 0.094 0.000 0.957 5113 V CB -0.459 31.449 31.823 0.142 0.000 1.186 5113 V HN 0.781 nan 8.190 nan 0.000 0.471 5114 N N 1.206 119.931 118.700 0.042 0.000 2.381 5114 N HA 0.297 5.037 4.740 0.001 0.000 0.254 5114 N C 0.516 176.038 175.510 0.020 0.000 1.264 5114 N CA -0.189 52.878 53.050 0.028 0.000 0.942 5114 N CB 0.312 38.811 38.487 0.019 0.000 1.190 5114 N HN 0.498 nan 8.380 nan 0.000 0.495 5115 S N -1.043 114.667 115.700 0.016 0.000 2.525 5115 S HA -0.067 4.404 4.470 0.001 0.000 0.282 5115 S C 0.289 174.893 174.600 0.006 0.000 1.324 5115 S CA 0.445 58.651 58.200 0.011 0.000 1.025 5115 S CB -0.378 62.827 63.200 0.008 0.000 0.820 5115 S HN 1.184 nan 8.310 nan 0.000 0.514 5116 D N -1.595 118.807 120.400 0.005 0.000 3.076 5116 D HA -0.114 4.527 4.640 0.001 0.000 0.218 5116 D C 0.630 176.929 176.300 -0.003 0.000 1.156 5116 D CA 2.017 56.016 54.000 -0.001 0.000 0.921 5116 D CB -2.062 38.735 40.800 -0.005 0.000 1.113 5116 D HN 2.128 nan 8.370 nan 0.000 0.418 5117 G N -0.397 108.406 108.800 0.005 0.000 2.386 5117 G HA2 0.009 3.969 3.960 0.001 0.000 0.295 5117 G HA3 0.009 3.969 3.960 0.001 0.000 0.295 5117 G C 0.196 175.090 174.900 -0.011 0.000 0.979 5117 G CA 0.984 46.087 45.100 0.006 0.000 1.193 5117 G HN 1.650 nan 8.290 nan 0.000 0.508 5118 S N -0.518 115.172 115.700 -0.017 0.000 2.566 5118 S HA 0.850 5.321 4.470 0.001 0.000 0.298 5118 S C -0.236 174.344 174.600 -0.035 0.000 1.083 5118 S CA -1.238 56.934 58.200 -0.047 0.000 0.978 5118 S CB 2.510 65.678 63.200 -0.055 0.000 1.073 5118 S HN 0.691 nan 8.310 nan 0.000 0.491 5119 L N 1.735 122.915 121.223 -0.072 0.000 2.317 5119 L HA 0.599 4.940 4.340 0.001 0.000 0.281 5119 L C -0.351 176.529 176.870 0.018 0.000 1.024 5119 L CA -0.587 54.248 54.840 -0.008 0.000 0.810 5119 L CB 1.831 43.897 42.059 0.010 0.000 1.240 5119 L HN 0.701 nan 8.230 nan 0.000 0.427 5120 T N 2.473 117.080 114.554 0.089 0.000 2.812 5120 T HA 0.422 4.773 4.350 0.001 0.000 0.282 5120 T C -0.875 173.946 174.700 0.202 0.000 0.990 5120 T CA -0.314 61.857 62.100 0.119 0.000 0.960 5120 T CB 1.347 70.248 68.868 0.055 0.000 0.948 5120 T HN 0.315 nan 8.240 nan 0.000 0.438 5121 F N 4.332 124.353 119.950 0.118 0.000 2.388 5121 F HA 0.659 5.187 4.527 0.001 0.000 0.358 5121 F C -0.987 174.839 175.800 0.043 0.000 1.122 5121 F CA -1.032 57.019 58.000 0.085 0.000 1.056 5121 F CB 0.809 39.862 39.000 0.088 0.000 1.155 5121 F HN 0.261 nan 8.300 nan 0.000 0.461 5122 V N 6.836 126.311 119.914 -0.732 0.000 2.311 5122 V HA 0.169 4.290 4.120 0.001 0.000 0.275 5122 V C 0.072 175.585 176.094 -0.969 0.000 1.022 5122 V CA -0.753 61.139 62.300 -0.680 0.000 0.830 5122 V CB 0.988 32.636 31.823 -0.291 0.000 1.012 5122 V HN 0.757 nan 8.190 nan 0.000 0.452 5123 E N 4.517 124.099 120.200 -1.030 0.000 2.376 5123 E HA 0.050 4.401 4.350 0.001 0.000 0.266 5123 E C 0.717 177.158 176.600 -0.265 0.000 1.009 5123 E CA 0.032 56.087 56.400 -0.575 0.000 0.902 5123 E CB 1.119 30.693 29.700 -0.210 0.000 0.972 5123 E HN 0.899 nan 8.360 nan 0.000 0.439 5124 E N 3.702 123.809 120.200 -0.154 0.000 2.244 5124 E HA 0.056 4.406 4.350 0.001 0.000 0.196 5124 E C 0.399 176.962 176.600 -0.063 0.000 0.939 5124 E CA 0.005 56.347 56.400 -0.095 0.000 0.884 5124 E CB 0.361 30.021 29.700 -0.066 0.000 0.850 5124 E HN 0.557 nan 8.360 nan 0.000 0.481 5125 D N -0.727 119.642 120.400 -0.051 0.000 2.809 5125 D HA 0.377 5.018 4.640 0.001 0.000 0.336 5125 D C -0.517 175.744 176.300 -0.065 0.000 1.367 5125 D CA 0.108 54.077 54.000 -0.052 0.000 0.815 5125 D CB 1.159 41.938 40.800 -0.034 0.000 1.381 5125 D HN 0.277 nan 8.370 nan 0.000 0.471 5126 G N -0.433 108.310 108.800 -0.096 0.000 2.334 5126 G HA2 0.165 4.126 3.960 0.001 0.000 0.566 5126 G HA3 0.165 4.126 3.960 0.001 0.000 0.566 5126 G C -0.932 173.818 174.900 -0.250 0.000 1.413 5126 G CA -0.479 44.541 45.100 -0.132 0.000 0.993 5126 G HN 0.576 nan 8.290 nan 0.000 0.642 5127 I N 1.464 121.870 120.570 -0.273 0.000 2.494 5127 I HA 0.250 4.421 4.170 0.001 0.000 0.289 5127 I C 0.511 176.341 176.117 -0.478 0.000 1.106 5127 I CA 0.584 61.617 61.300 -0.446 0.000 1.369 5127 I CB 0.666 38.496 38.000 -0.283 0.000 1.410 5127 I HN 0.680 nan 8.210 nan 0.000 0.523 5128 D N 4.148 124.124 120.400 -0.706 0.000 2.480 5128 D HA 0.010 4.651 4.640 0.001 0.000 0.276 5128 D C 0.012 176.031 176.300 -0.469 0.000 1.294 5128 D CA -0.234 53.444 54.000 -0.536 0.000 0.829 5128 D CB -0.336 40.210 40.800 -0.424 0.000 1.242 5128 D HN 0.418 nan 8.370 nan 0.000 0.513 5129 F N 0.191 120.052 119.950 -0.150 0.000 2.532 5129 F HA 0.615 5.143 4.527 0.001 0.000 0.313 5129 F C -0.004 175.790 175.800 -0.010 0.000 1.301 5129 F CA -1.306 56.636 58.000 -0.098 0.000 1.154 5129 F CB 0.332 39.298 39.000 -0.056 0.000 1.335 5129 F HN -0.343 nan 8.300 nan 0.000 0.542 5130 Q N 4.488 124.413 119.800 0.209 0.000 2.296 5130 Q HA 0.275 4.615 4.340 0.001 0.000 0.262 5130 Q C -2.442 173.767 176.000 0.349 0.000 0.981 5130 Q CA -2.466 53.512 55.803 0.291 0.000 0.905 5130 Q CB 1.145 30.032 28.738 0.248 0.000 1.186 5130 Q HN 0.258 nan 8.270 nan 0.000 0.399 5131 P HA 0.132 nan 4.420 nan 0.000 0.292 5131 P C -1.064 176.450 177.300 0.357 0.000 1.326 5131 P CA -0.344 62.969 63.100 0.354 0.000 0.787 5131 P CB 0.810 32.635 31.700 0.208 0.000 0.903 5132 V N 1.140 121.288 119.914 0.390 0.000 2.864 5132 V HA 0.796 4.916 4.120 0.001 0.000 0.314 5132 V C -0.251 175.992 176.094 0.248 0.000 1.073 5132 V CA -0.707 61.778 62.300 0.309 0.000 0.956 5132 V CB 1.960 34.009 31.823 0.377 0.000 1.023 5132 V HN 0.409 nan 8.190 nan 0.000 0.435 5133 T N 2.705 117.355 114.554 0.159 0.000 2.985 5133 T HA 0.584 4.934 4.350 0.001 0.000 0.315 5133 T C -0.343 174.385 174.700 0.047 0.000 1.001 5133 T CA -0.412 61.744 62.100 0.093 0.000 1.016 5133 T CB 1.122 70.050 68.868 0.100 0.000 0.993 5133 T HN 1.135 nan 8.240 nan 0.000 0.454 5134 V N 1.807 121.751 119.914 0.050 0.000 2.716 5134 V HA 0.626 4.747 4.120 0.001 0.000 0.304 5134 V C -0.019 176.086 176.094 0.017 0.000 1.053 5134 V CA -1.098 61.210 62.300 0.013 0.000 0.984 5134 V CB 1.632 33.488 31.823 0.053 0.000 1.021 5134 V HN 0.836 nan 8.190 nan 0.000 0.467 5135 Q N 3.084 122.887 119.800 0.005 0.000 2.331 5135 Q HA 0.408 4.749 4.340 0.001 0.000 0.257 5135 Q C -0.072 175.942 176.000 0.023 0.000 0.957 5135 Q CA -0.590 55.220 55.803 0.012 0.000 0.923 5135 Q CB 1.159 29.901 28.738 0.006 0.000 1.212 5135 Q HN 0.838 nan 8.270 nan 0.000 0.443 5136 M N 1.707 121.327 119.600 0.034 0.000 2.081 5136 M HA -0.036 4.444 4.480 0.001 0.000 0.259 5136 M C 1.262 177.588 176.300 0.045 0.000 1.274 5136 M CA 0.890 56.221 55.300 0.052 0.000 1.103 5136 M CB 0.159 32.796 32.600 0.062 0.000 1.349 5136 M HN 0.963 nan 8.290 nan 0.000 0.435 5137 A N 1.342 124.194 122.820 0.054 0.000 1.849 5137 A HA -0.087 4.233 4.320 0.001 0.000 0.217 5137 A C 1.588 179.193 177.584 0.035 0.000 1.202 5137 A CA 2.210 54.273 52.037 0.043 0.000 0.629 5137 A CB -1.583 17.445 19.000 0.047 0.000 0.834 5137 A HN 0.943 nan 8.150 nan 0.000 0.447 5138 G N -1.992 106.832 108.800 0.039 0.000 2.434 5138 G HA2 0.255 4.215 3.960 0.001 0.000 0.150 5138 G HA3 0.255 4.215 3.960 0.001 0.000 0.150 5138 G C 1.072 175.988 174.900 0.027 0.000 1.744 5138 G CA 0.842 45.962 45.100 0.032 0.000 0.973 5138 G HN 1.087 nan 8.290 nan 0.000 0.397 5139 G N -1.127 107.689 108.800 0.026 0.000 3.228 5139 G HA2 0.265 4.225 3.960 0.001 0.000 0.245 5139 G HA3 0.265 4.225 3.960 0.001 0.000 0.245 5139 G C 0.477 175.388 174.900 0.019 0.000 1.051 5139 G CA -0.117 44.995 45.100 0.020 0.000 0.809 5139 G HN 0.472 nan 8.290 nan 0.000 0.531 5140 E N 0.884 121.098 120.200 0.024 0.000 2.604 5140 E HA 0.006 4.357 4.350 0.001 0.000 0.267 5140 E C -0.117 176.487 176.600 0.006 0.000 0.970 5140 E CA 0.707 57.116 56.400 0.015 0.000 0.956 5140 E CB 0.508 30.219 29.700 0.019 0.000 0.939 5140 E HN 0.243 nan 8.360 nan 0.000 0.465 5141 R N 3.018 123.515 120.500 -0.004 0.000 2.272 5141 R HA 0.347 4.687 4.340 0.001 0.000 0.323 5141 R C -0.460 175.821 176.300 -0.031 0.000 1.002 5141 R CA -0.693 55.404 56.100 -0.004 0.000 0.900 5141 R CB 0.505 30.809 30.300 0.006 0.000 1.151 5141 R HN 0.321 nan 8.270 nan 0.000 0.507 5142 I N 5.031 125.578 120.570 -0.039 0.000 2.321 5142 I HA 0.344 4.515 4.170 0.001 0.000 0.291 5142 I C -2.497 173.575 176.117 -0.076 0.000 0.998 5142 I CA -2.393 58.855 61.300 -0.087 0.000 1.227 5142 I CB 1.536 39.486 38.000 -0.084 0.000 1.368 5142 I HN 0.395 nan 8.210 nan 0.000 0.466 5143 P HA 0.456 nan 4.420 nan 0.000 0.307 5143 P C -1.533 175.552 177.300 -0.358 0.000 1.412 5143 P CA -0.611 62.299 63.100 -0.316 0.000 0.985 5143 P CB 1.371 32.669 31.700 -0.670 0.000 1.098 5144 L N 0.898 122.047 121.223 -0.124 0.000 2.277 5144 L HA 0.746 5.086 4.340 0.001 0.000 0.254 5144 L C -1.184 175.792 176.870 0.177 0.000 1.044 5144 L CA -1.455 53.384 54.840 -0.001 0.000 0.842 5144 L CB 1.797 43.895 42.059 0.066 0.000 1.422 5144 L HN 0.069 nan 8.230 nan 0.000 0.422 5145 L N 2.023 123.387 121.223 0.236 0.000 2.504 5145 L HA 0.407 4.748 4.340 0.001 0.000 0.249 5145 L C -0.507 176.541 176.870 0.296 0.000 1.120 5145 L CA -0.313 54.714 54.840 0.311 0.000 0.997 5145 L CB 0.084 42.315 42.059 0.286 0.000 1.349 5145 L HN 0.572 nan 8.230 nan 0.000 0.439 5146 F N 3.015 123.041 119.950 0.127 0.000 2.473 5146 F HA 0.108 4.635 4.527 0.001 0.000 0.405 5146 F C 0.369 176.177 175.800 0.013 0.000 0.988 5146 F CA 0.911 58.943 58.000 0.053 0.000 1.096 5146 F CB 0.314 39.367 39.000 0.088 0.000 0.944 5146 F HN 0.504 nan 8.300 nan 0.000 0.530 5147 T N 4.857 119.315 114.554 -0.161 0.000 2.885 5147 T HA 0.333 4.684 4.350 0.001 0.000 0.322 5147 T C -1.173 172.972 174.700 -0.927 0.000 1.387 5147 T CA -0.600 61.209 62.100 -0.485 0.000 1.041 5147 T CB 1.646 70.377 68.868 -0.228 0.000 1.287 5147 T HN 0.430 nan 8.240 nan 0.000 0.491 5148 V N 4.618 123.931 119.914 -1.001 0.000 2.647 5148 V HA 0.515 4.636 4.120 0.001 0.000 0.305 5148 V C -0.149 175.504 176.094 -0.735 0.000 1.162 5148 V CA -0.376 61.110 62.300 -1.356 0.000 1.248 5148 V CB -0.354 31.093 31.823 -0.627 0.000 1.508 5148 V HN 0.732 nan 8.190 nan 0.000 0.647 5149 K N 1.654 121.681 120.400 -0.621 0.000 2.098 5149 K HA 0.433 4.754 4.320 0.001 0.000 0.257 5149 K C 0.630 177.133 176.600 -0.163 0.000 0.999 5149 K CA -0.308 55.809 56.287 -0.283 0.000 0.924 5149 K CB 0.460 32.865 32.500 -0.160 0.000 1.028 5149 K HN 0.477 nan 8.250 nan 0.000 0.466 5150 N N 0.676 119.317 118.700 -0.099 0.000 2.693 5150 N HA -0.228 4.513 4.740 0.001 0.000 0.249 5150 N C -0.563 174.926 175.510 -0.035 0.000 1.119 5150 N CA 0.553 53.566 53.050 -0.061 0.000 0.717 5150 N CB -1.377 37.091 38.487 -0.032 0.000 1.071 5150 N HN 0.406 nan 8.380 nan 0.000 0.555 5151 L N 0.232 121.431 121.223 -0.039 0.000 2.455 5151 L HA 0.282 4.622 4.340 0.001 0.000 0.272 5151 L C 0.213 177.064 176.870 -0.032 0.000 1.174 5151 L CA 0.154 55.025 54.840 0.051 0.000 0.869 5151 L CB 1.066 43.193 42.059 0.113 0.000 1.130 5151 L HN -0.004 nan 8.230 nan 0.000 0.474 5152 V N 6.602 126.539 119.914 0.038 0.000 2.380 5152 V HA 0.782 4.903 4.120 0.001 0.000 0.272 5152 V C -0.201 175.948 176.094 0.091 0.000 1.011 5152 V CA 0.164 62.467 62.300 0.004 0.000 0.826 5152 V CB 0.925 32.739 31.823 -0.014 0.000 1.040 5152 V HN 1.054 nan 8.190 nan 0.000 0.441 5153 A N 4.714 127.649 122.820 0.192 0.000 2.324 5153 A HA 0.949 5.269 4.320 0.001 0.000 0.330 5153 A C 0.010 177.755 177.584 0.268 0.000 1.165 5153 A CA -0.336 51.854 52.037 0.255 0.000 0.813 5153 A CB 1.690 20.900 19.000 0.350 0.000 1.197 5153 A HN 0.805 nan 8.150 nan 0.000 0.484 5154 S N -0.584 115.203 115.700 0.145 0.000 2.667 5154 S HA 0.851 5.321 4.470 0.001 0.000 0.292 5154 S C 0.189 174.676 174.600 -0.189 0.000 1.126 5154 S CA -0.029 58.174 58.200 0.004 0.000 0.881 5154 S CB 1.930 65.125 63.200 -0.008 0.000 1.132 5154 S HN 1.195 nan 8.310 nan 0.000 0.492 5155 T N -0.895 113.451 114.554 -0.347 0.000 2.762 5155 T HA 0.540 4.891 4.350 0.001 0.000 0.272 5155 T C -0.762 173.807 174.700 -0.217 0.000 0.982 5155 T CA -0.881 60.957 62.100 -0.438 0.000 1.013 5155 T CB 0.457 68.880 68.868 -0.741 0.000 1.309 5155 T HN 0.354 nan 8.240 nan 0.000 0.572 5156 Q N 1.240 120.932 119.800 -0.179 0.000 2.474 5156 Q HA 0.331 4.671 4.340 0.001 0.000 0.256 5156 Q C -2.245 173.704 176.000 -0.085 0.000 1.048 5156 Q CA -1.178 54.565 55.803 -0.099 0.000 0.922 5156 Q CB 0.159 28.855 28.738 -0.071 0.000 1.288 5156 Q HN 0.473 nan 8.270 nan 0.000 0.484 5157 P HA 0.162 nan 4.420 nan 0.000 0.278 5157 P C -0.774 176.509 177.300 -0.028 0.000 1.266 5157 P CA -0.391 62.687 63.100 -0.037 0.000 0.807 5157 P CB 0.473 32.158 31.700 -0.026 0.000 1.094 5158 N N -2.318 116.371 118.700 -0.018 0.000 2.727 5158 N HA -0.142 4.599 4.740 0.001 0.000 0.249 5158 N C -0.849 174.653 175.510 -0.012 0.000 1.048 5158 N CA 0.614 53.657 53.050 -0.011 0.000 0.714 5158 N CB -1.575 36.907 38.487 -0.008 0.000 0.959 5158 N HN 0.171 nan 8.380 nan 0.000 0.544 5159 V N -0.403 119.501 119.914 -0.017 0.000 2.378 5159 V HA 0.451 4.572 4.120 0.001 0.000 0.288 5159 V C 0.861 176.952 176.094 -0.005 0.000 1.016 5159 V CA -0.074 62.216 62.300 -0.016 0.000 0.840 5159 V CB 1.694 33.494 31.823 -0.038 0.000 0.994 5159 V HN 0.283 nan 8.190 nan 0.000 0.431 5160 T N 4.196 118.752 114.554 0.003 0.000 3.054 5160 T HA 0.298 4.648 4.350 0.001 0.000 0.255 5160 T C 0.238 174.941 174.700 0.005 0.000 1.035 5160 T CA 0.411 62.515 62.100 0.007 0.000 0.941 5160 T CB 0.060 68.933 68.868 0.008 0.000 1.026 5160 T HN 0.642 nan 8.240 nan 0.000 0.533 5161 S N 0.918 116.626 115.700 0.014 0.000 2.572 5161 S HA 0.502 4.973 4.470 0.001 0.000 0.274 5161 S C -0.765 173.871 174.600 0.059 0.000 1.150 5161 S CA -0.751 57.470 58.200 0.034 0.000 0.944 5161 S CB 1.558 64.769 63.200 0.019 0.000 1.071 5161 S HN 0.255 nan 8.310 nan 0.000 0.479 5162 I N 2.724 123.361 120.570 0.111 0.000 2.379 5162 I HA 0.451 4.621 4.170 0.001 0.000 0.290 5162 I C 0.645 176.831 176.117 0.114 0.000 1.063 5162 I CA 0.241 61.618 61.300 0.128 0.000 1.351 5162 I CB 0.820 38.923 38.000 0.170 0.000 1.410 5162 I HN 0.530 nan 8.210 nan 0.000 0.505 5163 T N 2.091 116.701 114.554 0.094 0.000 2.754 5163 T HA 0.177 4.528 4.350 0.001 0.000 0.296 5163 T C 1.031 175.774 174.700 0.073 0.000 1.205 5163 T CA -0.366 61.779 62.100 0.074 0.000 1.009 5163 T CB 1.561 70.460 68.868 0.053 0.000 1.368 5163 T HN 0.622 nan 8.240 nan 0.000 0.509 5164 T N 1.531 116.117 114.554 0.054 0.000 2.882 5164 T HA -0.128 4.223 4.350 0.001 0.000 0.268 5164 T C 1.880 176.614 174.700 0.057 0.000 1.104 5164 T CA 2.084 64.214 62.100 0.050 0.000 1.118 5164 T CB -0.430 68.457 68.868 0.032 0.000 0.831 5164 T HN 0.550 nan 8.240 nan 0.000 0.529 5165 S N 0.978 116.709 115.700 0.051 0.000 2.325 5165 S HA -0.028 4.442 4.470 0.001 0.000 0.213 5165 S C 1.371 176.003 174.600 0.052 0.000 1.031 5165 S CA 0.530 58.755 58.200 0.042 0.000 0.984 5165 S CB -0.664 62.552 63.200 0.028 0.000 0.939 5165 S HN 0.557 nan 8.310 nan 0.000 0.438 5166 T N 3.755 118.342 114.554 0.054 0.000 2.816 5166 T HA 0.126 4.477 4.350 0.001 0.000 0.342 5166 T C -0.203 174.562 174.700 0.107 0.000 1.066 5166 T CA 0.691 62.817 62.100 0.044 0.000 1.130 5166 T CB -0.182 68.733 68.868 0.079 0.000 1.074 5166 T HN 0.655 nan 8.240 nan 0.000 0.525 5167 D N -0.636 119.788 120.400 0.040 0.000 2.653 5167 D HA 0.394 5.034 4.640 0.001 0.000 0.258 5167 D C -1.706 174.617 176.300 0.040 0.000 1.252 5167 D CA -0.758 53.355 54.000 0.188 0.000 0.777 5167 D CB 0.647 41.515 40.800 0.113 0.000 1.339 5167 D HN 0.373 nan 8.370 nan 0.000 0.422 5168 F N -0.100 119.876 119.950 0.043 0.000 2.539 5168 F HA 0.521 5.049 4.527 0.001 0.000 0.318 5168 F C 0.251 176.049 175.800 -0.003 0.000 1.135 5168 F CA -0.510 57.499 58.000 0.015 0.000 0.915 5168 F CB 2.410 41.401 39.000 -0.014 0.000 1.176 5168 F HN 0.050 nan 8.300 nan 0.000 0.440 5169 K N 1.643 122.121 120.400 0.130 0.000 2.422 5169 K HA 0.894 5.215 4.320 0.001 0.000 0.251 5169 K C -0.374 176.251 176.600 0.042 0.000 0.933 5169 K CA -1.091 55.231 56.287 0.059 0.000 0.798 5169 K CB 3.051 35.564 32.500 0.022 0.000 1.238 5169 K HN 0.861 nan 8.250 nan 0.000 0.428 5170 G N 1.011 109.810 108.800 -0.003 0.000 2.428 5170 G HA2 0.216 4.176 3.960 0.001 0.000 0.304 5170 G HA3 0.216 4.176 3.960 0.001 0.000 0.304 5170 G C -1.480 173.378 174.900 -0.070 0.000 1.303 5170 G CA -0.687 44.412 45.100 -0.002 0.000 0.825 5170 G HN 0.465 nan 8.290 nan 0.000 0.484 5171 E N -0.773 119.416 120.200 -0.018 0.000 2.267 5171 E HA 0.684 5.035 4.350 0.001 0.000 0.258 5171 E C -0.618 176.083 176.600 0.167 0.000 1.074 5171 E CA -0.612 55.774 56.400 -0.023 0.000 0.915 5171 E CB 1.888 31.596 29.700 0.013 0.000 1.186 5171 E HN 0.343 nan 8.360 nan 0.000 0.439 5172 F N -0.415 119.528 119.950 -0.012 0.000 3.064 5172 F HA 0.441 4.969 4.527 0.001 0.000 0.353 5172 F C -0.050 175.741 175.800 -0.015 0.000 1.393 5172 F CA -0.979 57.010 58.000 -0.018 0.000 1.080 5172 F CB 2.044 41.039 39.000 -0.009 0.000 1.619 5172 F HN 0.340 nan 8.300 nan 0.000 0.465 5173 N N 0.031 118.871 118.700 0.233 0.000 2.999 5173 N HA 0.290 5.030 4.740 0.001 0.000 0.244 5173 N C -2.172 173.372 175.510 0.057 0.000 1.106 5173 N CA -0.251 52.855 53.050 0.093 0.000 1.018 5173 N CB 2.557 41.061 38.487 0.029 0.000 1.600 5173 N HN 0.061 nan 8.380 nan 0.000 0.621 5174 V N 4.129 124.093 119.914 0.082 0.000 2.409 5174 V HA 0.391 4.511 4.120 0.001 0.000 0.290 5174 V C -1.496 174.647 176.094 0.082 0.000 1.017 5174 V CA -1.068 61.284 62.300 0.088 0.000 0.841 5174 V CB 1.348 33.255 31.823 0.140 0.000 1.003 5174 V HN 0.548 nan 8.190 nan 0.000 0.426 5175 P HA 0.106 nan 4.420 nan 0.000 0.208 5175 P C 0.232 177.718 177.300 0.309 0.000 1.100 5175 P CA 0.595 63.766 63.100 0.119 0.000 0.673 5175 P CB 0.578 32.367 31.700 0.148 0.000 0.690 5176 S N -4.291 111.662 115.700 0.421 0.000 2.565 5176 S HA 0.254 4.725 4.470 0.001 0.000 0.269 5176 S C 0.554 175.285 174.600 0.220 0.000 1.153 5176 S CA -0.654 57.743 58.200 0.328 0.000 0.835 5176 S CB 0.165 63.560 63.200 0.326 0.000 1.122 5176 S HN 0.173 nan 8.310 nan 0.000 0.462 5177 Y N 2.863 123.173 120.300 0.018 0.000 2.030 5177 Y HA -0.077 4.473 4.550 0.001 0.000 0.272 5177 Y C 1.194 177.049 175.900 -0.075 0.000 1.185 5177 Y CA 2.165 60.255 58.100 -0.018 0.000 1.120 5177 Y CB -0.105 38.333 38.460 -0.038 0.000 0.955 5177 Y HN 0.626 nan 8.280 nan 0.000 0.495 5178 R N 0.217 120.652 120.500 -0.108 0.000 2.532 5178 R HA 0.249 4.589 4.340 0.001 0.000 0.272 5178 R C 0.721 176.874 176.300 -0.245 0.000 1.032 5178 R CA 0.034 55.987 56.100 -0.245 0.000 1.089 5178 R CB 0.100 30.118 30.300 -0.470 0.000 1.098 5178 R HN 0.128 nan 8.270 nan 0.000 0.526 5179 T N 0.771 115.249 114.554 -0.128 0.000 4.169 5179 T HA 0.086 4.436 4.350 0.001 0.000 0.413 5179 T C 1.576 176.168 174.700 -0.180 0.000 1.164 5179 T CA 0.630 62.687 62.100 -0.071 0.000 0.996 5179 T CB 0.064 68.927 68.868 -0.008 0.000 1.636 5179 T HN 0.664 nan 8.240 nan 0.000 0.511 5180 A N 0.331 123.143 122.820 -0.012 0.000 1.901 5180 A HA 0.201 4.522 4.320 0.001 0.000 0.210 5180 A C 0.943 178.528 177.584 0.002 0.000 1.208 5180 A CA 0.260 52.302 52.037 0.010 0.000 0.644 5180 A CB -0.609 18.465 19.000 0.124 0.000 0.863 5180 A HN 0.747 nan 8.150 nan 0.000 0.454 5181 N N -1.711 117.006 118.700 0.029 0.000 2.408 5181 N HA 0.569 5.309 4.740 0.001 0.000 0.260 5181 N C -0.717 174.869 175.510 0.128 0.000 1.242 5181 N CA 0.111 53.185 53.050 0.040 0.000 0.959 5181 N CB 0.711 39.200 38.487 0.004 0.000 1.201 5181 N HN 0.372 nan 8.380 nan 0.000 0.511 5182 F N -0.778 119.124 119.950 -0.079 0.000 2.531 5182 F HA 0.053 4.580 4.527 0.001 0.000 0.278 5182 F C -2.306 173.456 175.800 -0.063 0.000 0.898 5182 F CA -0.943 57.008 58.000 -0.081 0.000 0.921 5182 F CB 0.079 39.016 39.000 -0.106 0.000 1.412 5182 F HN 0.199 nan 8.300 nan 0.000 0.598 5183 L N 5.936 127.085 121.223 -0.125 0.000 2.294 5183 L HA 0.359 4.699 4.340 0.001 0.000 0.283 5183 L C -0.426 176.525 176.870 0.135 0.000 1.015 5183 L CA -0.646 54.219 54.840 0.042 0.000 0.831 5183 L CB 0.925 42.932 42.059 -0.088 0.000 1.217 5183 L HN 0.512 nan 8.230 nan 0.000 0.420 5184 D N 4.500 125.103 120.400 0.338 0.000 2.399 5184 D HA 0.235 4.876 4.640 0.001 0.000 0.241 5184 D C -2.315 174.074 176.300 0.148 0.000 1.133 5184 D CA -1.146 53.040 54.000 0.309 0.000 0.890 5184 D CB 0.042 40.948 40.800 0.176 0.000 1.201 5184 D HN 0.318 nan 8.370 nan 0.000 0.432 5185 P HA -0.095 nan 4.420 nan 0.000 0.269 5185 P C -0.007 177.337 177.300 0.073 0.000 1.200 5185 P CA 0.062 63.202 63.100 0.067 0.000 0.779 5185 P CB 0.418 32.151 31.700 0.055 0.000 0.841 5186 K N 0.567 121.012 120.400 0.074 0.000 3.467 5186 K HA -0.165 4.155 4.320 0.001 0.000 0.309 5186 K C 1.005 177.703 176.600 0.163 0.000 1.350 5186 K CA 1.792 58.134 56.287 0.091 0.000 0.934 5186 K CB -2.027 30.507 32.500 0.057 0.000 1.312 5186 K HN 0.910 nan 8.250 nan 0.000 0.461 5187 G N -0.653 108.247 108.800 0.166 0.000 2.284 5187 G HA2 -0.422 3.539 3.960 0.001 0.000 0.261 5187 G HA3 -0.422 3.539 3.960 0.001 0.000 0.261 5187 G C 0.360 175.371 174.900 0.186 0.000 0.997 5187 G CA 0.731 45.959 45.100 0.213 0.000 0.621 5187 G HN 0.430 nan 8.290 nan 0.000 0.534 5188 R N 0.601 121.198 120.500 0.163 0.000 2.905 5188 R HA 0.450 4.791 4.340 0.001 0.000 0.273 5188 R C 0.818 177.185 176.300 0.112 0.000 1.033 5188 R CA 1.117 57.296 56.100 0.131 0.000 1.182 5188 R CB 0.125 30.480 30.300 0.091 0.000 1.097 5188 R HN 0.962 nan 8.270 nan 0.000 0.504 5189 G N -0.802 108.051 108.800 0.090 0.000 2.356 5189 G HA2 0.227 4.188 3.960 0.001 0.000 0.294 5189 G HA3 0.227 4.188 3.960 0.001 0.000 0.294 5189 G C -0.601 174.330 174.900 0.051 0.000 1.423 5189 G CA -0.819 44.330 45.100 0.082 0.000 0.806 5189 G HN 0.519 nan 8.290 nan 0.000 0.527 5190 L N -0.140 121.104 121.223 0.036 0.000 2.194 5190 L HA 0.489 4.829 4.340 0.001 0.000 0.197 5190 L C 2.395 179.288 176.870 0.038 0.000 1.106 5190 L CA 1.208 56.063 54.840 0.025 0.000 0.785 5190 L CB 0.089 42.142 42.059 -0.009 0.000 0.960 5190 L HN 0.711 nan 8.230 nan 0.000 0.465 5191 A N -1.179 121.664 122.820 0.037 0.000 2.462 5191 A HA 0.398 4.718 4.320 0.001 0.000 0.261 5191 A C 0.516 178.115 177.584 0.025 0.000 1.323 5191 A CA 0.585 52.645 52.037 0.039 0.000 0.913 5191 A CB -0.106 18.923 19.000 0.048 0.000 1.028 5191 A HN 0.463 nan 8.150 nan 0.000 0.511 5192 S N -2.175 113.538 115.700 0.022 0.000 2.647 5192 S HA 0.546 5.016 4.470 0.001 0.000 0.276 5192 S C -0.224 174.384 174.600 0.013 0.000 1.184 5192 S CA 0.719 58.923 58.200 0.006 0.000 1.025 5192 S CB 0.135 63.326 63.200 -0.014 0.000 1.238 5192 S HN 2.227 nan 8.310 nan 0.000 0.472 5193 G N 0.331 109.121 108.800 -0.016 0.000 2.705 5193 G HA2 -0.110 3.851 3.960 0.001 0.000 0.686 5193 G HA3 -0.110 3.851 3.960 0.001 0.000 0.686 5193 G C -0.128 174.812 174.900 0.066 0.000 1.285 5193 G CA 0.226 45.328 45.100 0.002 0.000 0.800 5193 G HN 1.121 nan 8.290 nan 0.000 0.611 5194 Y N 1.176 121.481 120.300 0.008 0.000 2.491 5194 Y HA -0.192 4.358 4.550 0.001 0.000 0.280 5194 Y C 2.472 178.378 175.900 0.009 0.000 1.177 5194 Y CA 2.769 60.873 58.100 0.006 0.000 1.366 5194 Y CB 0.037 38.500 38.460 0.005 0.000 0.966 5194 Y HN 1.088 nan 8.280 nan 0.000 0.573 5195 D N -1.991 118.512 120.400 0.171 0.000 2.705 5195 D HA -0.213 4.427 4.640 0.001 0.000 0.187 5195 D C 0.282 176.619 176.300 0.062 0.000 1.015 5195 D CA 1.294 55.354 54.000 0.099 0.000 1.030 5195 D CB -1.234 39.621 40.800 0.092 0.000 1.100 5195 D HN 0.383 nan 8.370 nan 0.000 0.439 5196 S N -2.316 113.413 115.700 0.049 0.000 2.724 5196 S HA 0.685 5.155 4.470 0.001 0.000 0.278 5196 S C 0.906 175.495 174.600 -0.018 0.000 1.190 5196 S CA 0.857 59.061 58.200 0.007 0.000 0.860 5196 S CB 0.711 63.904 63.200 -0.011 0.000 1.206 5196 S HN 0.594 nan 8.310 nan 0.000 0.507 5197 A N 0.953 123.757 122.820 -0.026 0.000 1.997 5197 A HA 0.009 4.330 4.320 0.001 0.000 0.221 5197 A C 1.888 179.433 177.584 -0.065 0.000 1.172 5197 A CA 2.501 54.518 52.037 -0.033 0.000 0.645 5197 A CB -1.372 17.611 19.000 -0.029 0.000 0.813 5197 A HN 1.645 nan 8.150 nan 0.000 0.454 5198 I N -1.950 118.554 120.570 -0.110 0.000 4.830 5198 I HA -0.517 3.654 4.170 0.001 0.000 0.043 5198 I C 2.027 178.056 176.117 -0.146 0.000 0.632 5198 I CA 2.657 63.839 61.300 -0.197 0.000 0.452 5198 I CB -1.693 36.094 38.000 -0.356 0.000 0.469 5198 I HN 0.660 nan 8.210 nan 0.000 0.154 5199 A N 1.131 123.883 122.820 -0.113 0.000 2.042 5199 A HA -0.026 4.295 4.320 0.001 0.000 0.222 5199 A C 1.315 178.866 177.584 -0.055 0.000 1.167 5199 A CA 2.007 54.001 52.037 -0.072 0.000 0.649 5199 A CB -0.898 18.077 19.000 -0.041 0.000 0.809 5199 A HN 0.549 nan 8.150 nan 0.000 0.457 5200 L N 0.198 121.390 121.223 -0.052 0.000 2.301 5200 L HA 0.257 4.598 4.340 0.001 0.000 0.278 5200 L C -1.525 175.319 176.870 -0.043 0.000 1.022 5200 L CA -1.723 53.094 54.840 -0.038 0.000 0.854 5200 L CB 1.650 43.693 42.059 -0.027 0.000 1.226 5200 L HN 0.133 nan 8.230 nan 0.000 0.429 5201 P HA -0.119 nan 4.420 nan 0.000 0.214 5201 P C 0.702 177.985 177.300 -0.028 0.000 1.162 5201 P CA 0.950 64.026 63.100 -0.040 0.000 0.871 5201 P CB 0.562 32.239 31.700 -0.039 0.000 0.783 5202 Q N -0.378 119.409 119.800 -0.022 0.000 2.201 5202 Q HA 0.350 4.690 4.340 0.001 0.000 0.217 5202 Q C 0.575 176.567 176.000 -0.014 0.000 0.860 5202 Q CA -0.505 55.289 55.803 -0.016 0.000 0.984 5202 Q CB 0.128 28.859 28.738 -0.013 0.000 1.095 5202 Q HN 0.174 nan 8.270 nan 0.000 0.477 5203 A N 1.131 123.942 122.820 -0.016 0.000 2.366 5203 A HA 0.157 4.477 4.320 0.001 0.000 0.250 5203 A C 0.326 177.904 177.584 -0.010 0.000 1.099 5203 A CA -0.231 51.798 52.037 -0.013 0.000 0.794 5203 A CB 0.410 19.401 19.000 -0.015 0.000 1.056 5203 A HN -0.019 nan 8.150 nan 0.000 0.499 5204 K N 1.402 121.798 120.400 -0.007 0.000 2.237 5204 K HA 0.015 4.336 4.320 0.001 0.000 0.283 5204 K C 0.839 177.436 176.600 -0.004 0.000 1.080 5204 K CA 0.190 56.474 56.287 -0.004 0.000 0.965 5204 K CB 0.545 33.043 32.500 -0.003 0.000 1.098 5204 K HN 0.832 nan 8.250 nan 0.000 0.434 5205 E N 2.844 123.042 120.200 -0.004 0.000 2.072 5205 E HA -0.244 4.106 4.350 0.001 0.000 0.218 5205 E C 0.122 176.722 176.600 0.001 0.000 1.051 5205 E CA 1.774 58.173 56.400 -0.003 0.000 0.880 5205 E CB 0.056 29.755 29.700 -0.001 0.000 0.783 5205 E HN 0.612 nan 8.360 nan 0.000 0.473 5206 E N 0.423 120.624 120.200 0.002 0.000 2.360 5206 E HA 0.029 4.380 4.350 0.001 0.000 0.269 5206 E C 0.264 176.867 176.600 0.004 0.000 1.022 5206 E CA 0.722 57.125 56.400 0.004 0.000 0.887 5206 E CB 1.335 31.038 29.700 0.005 0.000 0.990 5206 E HN 0.537 nan 8.360 nan 0.000 0.426 5207 E N 1.399 121.602 120.200 0.006 0.000 4.287 5207 E HA -0.133 4.217 4.350 0.001 0.000 0.423 5207 E C -0.200 176.404 176.600 0.007 0.000 0.527 5207 E CA 0.452 56.856 56.400 0.007 0.000 1.509 5207 E CB -1.078 28.625 29.700 0.005 0.000 1.968 5207 E HN 0.579 nan 8.360 nan 0.000 0.308 5208 L N 0.064 121.290 121.223 0.006 0.000 2.766 5208 L HA 0.451 4.792 4.340 0.001 0.000 0.242 5208 L C 2.359 179.234 176.870 0.009 0.000 1.136 5208 L CA 0.609 55.453 54.840 0.006 0.000 0.933 5208 L CB 0.220 42.281 42.059 0.003 0.000 1.241 5208 L HN 0.219 nan 8.230 nan 0.000 0.522 5209 A N 1.172 123.999 122.820 0.011 0.000 1.892 5209 A HA -0.296 4.025 4.320 0.001 0.000 0.218 5209 A C 2.339 179.932 177.584 0.016 0.000 1.188 5209 A CA 2.109 54.154 52.037 0.014 0.000 0.631 5209 A CB -0.436 18.572 19.000 0.015 0.000 0.822 5209 A HN 0.328 nan 8.150 nan 0.000 0.447 5210 R N -0.158 120.351 120.500 0.015 0.000 2.134 5210 R HA -0.193 4.148 4.340 0.001 0.000 0.248 5210 R C 2.130 178.437 176.300 0.013 0.000 1.143 5210 R CA 2.330 58.440 56.100 0.017 0.000 0.957 5210 R CB -0.776 29.534 30.300 0.016 0.000 0.867 5210 R HN 0.500 nan 8.270 nan 0.000 0.441 5211 A N -0.115 122.710 122.820 0.009 0.000 1.861 5211 A HA -0.031 4.289 4.320 0.001 0.000 0.212 5211 A C 1.797 179.390 177.584 0.014 0.000 1.199 5211 A CA 1.159 53.201 52.037 0.007 0.000 0.613 5211 A CB -0.534 18.470 19.000 0.006 0.000 0.846 5211 A HN 0.393 nan 8.150 nan 0.000 0.446 5212 N N 0.344 119.054 118.700 0.017 0.000 2.006 5212 N HA -0.114 4.626 4.740 0.001 0.000 0.196 5212 N C 1.029 176.556 175.510 0.027 0.000 1.070 5212 N CA 1.416 54.481 53.050 0.024 0.000 0.859 5212 N CB -1.195 37.304 38.487 0.021 0.000 1.060 5212 N HN 0.337 nan 8.380 nan 0.000 0.424 5213 V N 3.452 123.381 119.914 0.026 0.000 2.458 5213 V HA -0.000 4.121 4.120 0.001 0.000 0.287 5213 V C -0.308 175.803 176.094 0.028 0.000 1.009 5213 V CA -0.090 62.227 62.300 0.030 0.000 1.091 5213 V CB -0.123 31.718 31.823 0.030 0.000 0.960 5213 V HN 0.135 nan 8.190 nan 0.000 0.476 5214 K N 6.891 127.308 120.400 0.028 0.000 2.268 5214 K HA 0.440 4.761 4.320 0.001 0.000 0.276 5214 K C -0.136 176.488 176.600 0.040 0.000 1.080 5214 K CA -0.384 55.913 56.287 0.016 0.000 0.910 5214 K CB 1.136 33.631 32.500 -0.008 0.000 1.163 5214 K HN 0.706 nan 8.250 nan 0.000 0.465 5215 R N 1.129 121.663 120.500 0.056 0.000 2.615 5215 R HA 0.358 4.699 4.340 0.001 0.000 0.270 5215 R C -0.211 176.190 176.300 0.168 0.000 1.081 5215 R CA -0.222 55.939 56.100 0.102 0.000 1.154 5215 R CB 0.508 30.860 30.300 0.087 0.000 1.063 5215 R HN 0.531 nan 8.270 nan 0.000 0.519 5216 F N 1.392 121.352 119.950 0.015 0.000 2.460 5216 F HA 0.300 4.828 4.527 0.002 0.000 0.341 5216 F C -0.027 175.784 175.800 0.018 0.000 1.130 5216 F CA -0.996 57.013 58.000 0.015 0.000 0.962 5216 F CB 1.329 40.336 39.000 0.012 0.000 1.171 5216 F HN 0.736 nan 8.300 nan 0.000 0.436 5217 S N 5.709 121.724 115.700 0.526 0.000 2.593 5217 S HA 0.526 4.996 4.470 0.001 0.000 0.269 5217 S C -1.002 173.609 174.600 0.020 0.000 1.334 5217 S CA -0.559 57.764 58.200 0.205 0.000 1.015 5217 S CB 1.969 65.285 63.200 0.193 0.000 0.912 5217 S HN 0.696 nan 8.310 nan 0.000 0.541 5218 L N 2.004 123.220 121.223 -0.011 0.000 2.596 5218 L HA 0.589 4.930 4.340 0.001 0.000 0.265 5218 L C -0.631 176.242 176.870 0.005 0.000 0.962 5218 L CA 0.261 55.072 54.840 -0.049 0.000 0.891 5218 L CB 1.767 43.758 42.059 -0.113 0.000 1.248 5218 L HN 1.182 nan 8.230 nan 0.000 0.410 5219 T N 0.383 114.959 114.554 0.037 0.000 2.883 5219 T HA 0.639 4.990 4.350 0.001 0.000 0.301 5219 T C -0.786 173.962 174.700 0.080 0.000 1.158 5219 T CA -1.124 61.008 62.100 0.053 0.000 1.007 5219 T CB 1.863 70.768 68.868 0.063 0.000 1.186 5219 T HN 0.287 nan 8.240 nan 0.000 0.499 5220 K N 0.886 121.329 120.400 0.070 0.000 2.218 5220 K HA 0.501 4.822 4.320 0.001 0.000 0.276 5220 K C 1.173 177.832 176.600 0.098 0.000 1.022 5220 K CA -0.180 56.158 56.287 0.086 0.000 0.946 5220 K CB 1.355 33.877 32.500 0.036 0.000 1.000 5220 K HN 0.889 nan 8.250 nan 0.000 0.468 5221 G N 1.153 110.037 108.800 0.141 0.000 2.682 5221 G HA2 -0.051 3.910 3.960 0.001 0.000 0.221 5221 G HA3 -0.051 3.910 3.960 0.001 0.000 0.221 5221 G C -0.791 173.827 174.900 -0.471 0.000 1.386 5221 G CA -0.083 45.002 45.100 -0.025 0.000 0.909 5221 G HN 0.675 nan 8.290 nan 0.000 0.558 5222 Q N -0.366 118.876 119.800 -0.929 0.000 2.205 5222 Q HA -0.117 4.223 4.340 0.001 0.000 0.295 5222 Q C -0.676 174.999 176.000 -0.542 0.000 1.133 5222 Q CA -0.005 55.453 55.803 -0.575 0.000 0.628 5222 Q CB -1.822 26.766 28.738 -0.250 0.000 0.880 5222 Q HN 0.599 nan 8.270 nan 0.000 0.329 5223 I N -1.981 118.232 120.570 -0.595 0.000 3.640 5223 I HA 0.805 4.976 4.170 0.001 0.000 0.288 5223 I C 0.296 176.362 176.117 -0.086 0.000 1.248 5223 I CA -0.611 60.541 61.300 -0.248 0.000 0.911 5223 I CB 1.260 39.187 38.000 -0.123 0.000 1.533 5223 I HN 0.186 nan 8.210 nan 0.000 0.686 5224 S N 1.193 116.901 115.700 0.014 0.000 2.605 5224 S HA 0.639 5.110 4.470 0.001 0.000 0.279 5224 S C -1.290 173.386 174.600 0.127 0.000 1.166 5224 S CA -0.408 57.833 58.200 0.068 0.000 0.975 5224 S CB 0.985 64.223 63.200 0.063 0.000 1.111 5224 S HN 0.419 nan 8.310 nan 0.000 0.465 5225 L N 3.400 124.716 121.223 0.154 0.000 2.316 5225 L HA 0.524 4.864 4.340 0.001 0.000 0.280 5225 L C 0.120 177.212 176.870 0.370 0.000 1.006 5225 L CA -0.236 54.723 54.840 0.198 0.000 0.836 5225 L CB 1.238 43.200 42.059 -0.162 0.000 1.221 5225 L HN 0.686 nan 8.230 nan 0.000 0.418 5226 N N 2.339 121.253 118.700 0.356 0.000 2.372 5226 N HA 0.549 5.289 4.740 0.001 0.000 0.291 5226 N C -0.839 174.843 175.510 0.287 0.000 1.024 5226 N CA -0.525 52.698 53.050 0.288 0.000 0.873 5226 N CB 1.921 40.513 38.487 0.174 0.000 1.206 5226 N HN 0.248 nan 8.380 nan 0.000 0.486 5227 V N 2.018 122.075 119.914 0.238 0.000 2.953 5227 V HA 0.455 4.576 4.120 0.001 0.000 0.304 5227 V C 0.990 177.114 176.094 0.049 0.000 1.073 5227 V CA 0.012 62.382 62.300 0.116 0.000 1.064 5227 V CB 1.272 33.177 31.823 0.136 0.000 1.047 5227 V HN 0.930 nan 8.190 nan 0.000 0.478 5228 A N 2.358 125.168 122.820 -0.018 0.000 2.334 5228 A HA 0.387 4.708 4.320 0.001 0.000 0.184 5228 A C 0.471 178.037 177.584 -0.030 0.000 1.594 5228 A CA -0.073 51.953 52.037 -0.018 0.000 1.162 5228 A CB 0.527 19.510 19.000 -0.029 0.000 1.426 5228 A HN 0.686 nan 8.150 nan 0.000 0.494 5229 K N 0.602 120.970 120.400 -0.052 0.000 2.601 5229 K HA 0.612 4.933 4.320 0.001 0.000 0.249 5229 K C -1.708 174.871 176.600 -0.036 0.000 0.966 5229 K CA -0.304 55.956 56.287 -0.045 0.000 0.827 5229 K CB 2.767 35.226 32.500 -0.068 0.000 1.178 5229 K HN 0.026 nan 8.250 nan 0.000 0.437 5230 V N 1.325 121.237 119.914 -0.003 0.000 2.823 5230 V HA 0.368 4.488 4.120 0.001 0.000 0.312 5230 V C -0.774 175.342 176.094 0.037 0.000 1.072 5230 V CA -0.860 61.455 62.300 0.023 0.000 0.937 5230 V CB 2.172 34.028 31.823 0.055 0.000 1.013 5230 V HN 0.772 nan 8.190 nan 0.000 0.430 5231 D N 2.025 122.459 120.400 0.057 0.000 2.362 5231 D HA 0.388 5.029 4.640 0.001 0.000 0.247 5231 D C 0.932 177.315 176.300 0.139 0.000 1.050 5231 D CA 0.030 54.072 54.000 0.070 0.000 0.839 5231 D CB 2.729 43.559 40.800 0.051 0.000 1.283 5231 D HN 0.619 nan 8.370 nan 0.000 0.477 5232 G N 3.705 112.582 108.800 0.128 0.000 2.402 5232 G HA2 -0.251 3.709 3.960 0.001 0.000 0.216 5232 G HA3 -0.251 3.709 3.960 0.001 0.000 0.216 5232 G C 1.491 176.526 174.900 0.226 0.000 1.162 5232 G CA 0.810 46.006 45.100 0.160 0.000 0.777 5232 G HN 0.629 nan 8.290 nan 0.000 0.539 5233 R N 0.205 120.804 120.500 0.166 0.000 2.066 5233 R HA 0.020 4.361 4.340 0.001 0.000 0.224 5233 R C 2.554 178.993 176.300 0.232 0.000 1.122 5233 R CA 1.886 58.090 56.100 0.174 0.000 0.974 5233 R CB -1.481 28.878 30.300 0.098 0.000 0.871 5233 R HN 0.267 nan 8.270 nan 0.000 0.435 5234 T N -2.301 112.349 114.554 0.160 0.000 2.778 5234 T HA -0.027 4.324 4.350 0.001 0.000 0.269 5234 T C 1.760 176.517 174.700 0.094 0.000 1.050 5234 T CA 1.529 63.700 62.100 0.118 0.000 1.137 5234 T CB -0.623 68.291 68.868 0.077 0.000 0.860 5234 T HN 0.663 nan 8.240 nan 0.000 0.468 5235 G N 1.024 109.865 108.800 0.068 0.000 2.176 5235 G HA2 -0.237 3.724 3.960 0.001 0.000 0.253 5235 G HA3 -0.237 3.724 3.960 0.001 0.000 0.253 5235 G C -0.172 174.607 174.900 -0.202 0.000 0.979 5235 G CA 0.173 45.076 45.100 -0.328 0.000 0.641 5235 G HN 0.708 nan 8.290 nan 0.000 0.530 5236 E N 0.123 120.321 120.200 -0.004 0.000 2.373 5236 E HA 0.595 4.945 4.350 0.001 0.000 0.267 5236 E C 0.324 176.960 176.600 0.059 0.000 1.032 5236 E CA 0.359 56.828 56.400 0.115 0.000 0.889 5236 E CB 1.500 31.294 29.700 0.158 0.000 0.984 5236 E HN 0.765 nan 8.360 nan 0.000 0.425 5237 I N -0.794 119.827 120.570 0.085 0.000 2.743 5237 I HA 0.641 4.812 4.170 0.001 0.000 0.292 5237 I C -1.804 174.246 176.117 -0.111 0.000 1.343 5237 I CA -0.500 60.789 61.300 -0.017 0.000 1.038 5237 I CB 1.629 39.610 38.000 -0.031 0.000 1.311 5237 I HN 0.602 nan 8.210 nan 0.000 0.426 5238 A N 4.240 126.920 122.820 -0.233 0.000 2.435 5238 A HA 1.092 5.413 4.320 0.001 0.000 0.296 5238 A C -0.242 176.993 177.584 -0.583 0.000 1.147 5238 A CA -0.255 51.495 52.037 -0.478 0.000 0.775 5238 A CB 1.616 20.475 19.000 -0.236 0.000 1.340 5238 A HN 1.694 nan 8.150 nan 0.000 0.427 5239 G N -1.375 107.008 108.800 -0.695 0.000 2.313 5239 G HA2 0.524 4.485 3.960 0.001 0.000 0.296 5239 G HA3 0.524 4.485 3.960 0.001 0.000 0.296 5239 G C -0.688 174.213 174.900 0.001 0.000 1.356 5239 G CA 0.260 45.191 45.100 -0.281 0.000 0.833 5239 G HN 1.162 nan 8.290 nan 0.000 0.552 5240 T N -0.534 114.092 114.554 0.120 0.000 2.913 5240 T HA 0.721 5.072 4.350 0.001 0.000 0.287 5240 T C -0.591 174.285 174.700 0.293 0.000 1.008 5240 T CA -0.181 61.979 62.100 0.101 0.000 1.067 5240 T CB 0.288 69.159 68.868 0.005 0.000 0.996 5240 T HN 1.401 nan 8.240 nan 0.000 0.513 5241 F N 0.906 120.982 119.950 0.210 0.000 2.599 5241 F HA 0.774 5.302 4.527 0.001 0.000 0.311 5241 F C -0.799 175.046 175.800 0.075 0.000 1.076 5241 F CA -1.504 56.575 58.000 0.133 0.000 0.937 5241 F CB 1.568 40.623 39.000 0.091 0.000 1.282 5241 F HN 0.541 nan 8.300 nan 0.000 0.460 5242 E N 2.030 122.483 120.200 0.422 0.000 2.343 5242 E HA 0.404 4.755 4.350 0.001 0.000 0.260 5242 E C -1.634 175.078 176.600 0.187 0.000 0.908 5242 E CA -0.552 56.002 56.400 0.257 0.000 0.814 5242 E CB 1.619 31.371 29.700 0.087 0.000 1.302 5242 E HN 0.841 nan 8.360 nan 0.000 0.408 5243 S N 2.986 118.817 115.700 0.218 0.000 2.508 5243 S HA 0.445 4.915 4.470 0.001 0.000 0.284 5243 S C -0.107 174.521 174.600 0.047 0.000 1.192 5243 S CA -0.823 57.443 58.200 0.110 0.000 1.070 5243 S CB 1.876 65.255 63.200 0.299 0.000 1.004 5243 S HN 0.553 nan 8.310 nan 0.000 0.493 5244 E N 1.910 122.108 120.200 -0.003 0.000 2.186 5244 E HA 0.283 4.634 4.350 0.001 0.000 0.255 5244 E C -0.424 176.210 176.600 0.056 0.000 0.881 5244 E CA -0.412 56.012 56.400 0.040 0.000 0.752 5244 E CB 0.780 30.513 29.700 0.056 0.000 1.176 5244 E HN 0.852 nan 8.360 nan 0.000 0.421 5245 Q N 3.956 123.823 119.800 0.111 0.000 3.022 5245 Q HA 0.571 4.911 4.340 0.001 0.000 0.313 5245 Q C -0.843 175.230 176.000 0.121 0.000 1.018 5245 Q CA -0.959 54.930 55.803 0.144 0.000 0.799 5245 Q CB 1.251 30.137 28.738 0.246 0.000 1.498 5245 Q HN 0.347 nan 8.270 nan 0.000 0.494 5246 L N 0.780 122.075 121.223 0.119 0.000 2.335 5246 L HA 0.518 4.859 4.340 0.001 0.000 0.268 5246 L C 0.498 177.417 176.870 0.082 0.000 1.016 5246 L CA -0.732 54.163 54.840 0.091 0.000 0.805 5246 L CB 1.801 43.905 42.059 0.076 0.000 1.311 5246 L HN 1.008 nan 8.230 nan 0.000 0.456 5247 S N -1.146 114.581 115.700 0.045 0.000 2.666 5247 S HA 0.166 4.636 4.470 0.001 0.000 0.230 5247 S C -0.442 174.142 174.600 -0.026 0.000 1.146 5247 S CA -0.467 57.730 58.200 -0.005 0.000 1.162 5247 S CB 0.387 63.553 63.200 -0.056 0.000 1.085 5247 S HN 0.604 nan 8.310 nan 0.000 0.514 5248 D N 0.677 121.015 120.400 -0.105 0.000 2.313 5248 D HA 0.330 4.971 4.640 0.001 0.000 0.239 5248 D C 0.255 176.588 176.300 0.054 0.000 1.142 5248 D CA -0.324 53.643 54.000 -0.055 0.000 0.847 5248 D CB 1.201 41.891 40.800 -0.183 0.000 1.082 5248 D HN 0.455 nan 8.370 nan 0.000 0.480 5249 D N 3.055 123.504 120.400 0.082 0.000 2.183 5249 D HA -0.176 4.465 4.640 0.001 0.000 0.203 5249 D C 0.142 176.524 176.300 0.137 0.000 0.969 5249 D CA 0.710 54.776 54.000 0.109 0.000 0.842 5249 D CB -0.026 40.840 40.800 0.109 0.000 0.957 5249 D HN 0.587 nan 8.370 nan 0.000 0.484 5250 D N -0.422 120.014 120.400 0.059 0.000 2.705 5250 D HA -0.236 4.404 4.640 0.001 0.000 0.240 5250 D C 0.553 176.811 176.300 -0.070 0.000 1.137 5250 D CA 0.694 54.667 54.000 -0.044 0.000 0.677 5250 D CB -0.755 39.988 40.800 -0.096 0.000 1.049 5250 D HN 0.233 nan 8.370 nan 0.000 0.427 5251 M N -2.950 116.597 119.600 -0.089 0.000 2.788 5251 M HA -0.307 4.174 4.480 0.001 0.000 0.141 5251 M C 1.682 177.982 176.300 -0.001 0.000 0.705 5251 M CA 2.700 57.954 55.300 -0.077 0.000 0.538 5251 M CB -2.250 30.286 32.600 -0.107 0.000 1.991 5251 M HN 0.642 nan 8.290 nan 0.000 0.256 5252 G N -2.765 106.042 108.800 0.011 0.000 4.195 5252 G HA2 0.485 4.445 3.960 0.001 0.000 0.150 5252 G HA3 0.485 4.445 3.960 0.001 0.000 0.150 5252 G C 0.912 175.840 174.900 0.047 0.000 1.058 5252 G CA 1.057 46.179 45.100 0.037 0.000 0.859 5252 G HN 0.915 nan 8.290 nan 0.000 0.547 5253 A N 1.346 124.172 122.820 0.009 0.000 2.428 5253 A HA -0.095 4.226 4.320 0.001 0.000 0.232 5253 A C 1.080 178.711 177.584 0.079 0.000 1.624 5253 A CA 2.024 54.046 52.037 -0.024 0.000 0.985 5253 A CB -1.694 17.187 19.000 -0.198 0.000 0.733 5253 A HN 1.179 nan 8.150 nan 0.000 0.525 5254 H N -1.612 117.458 119.070 -0.001 0.000 2.573 5254 H HA 0.665 5.222 4.556 0.001 0.000 0.351 5254 H C -0.891 174.458 175.328 0.035 0.000 1.163 5254 H CA -1.254 54.804 56.048 0.018 0.000 1.205 5254 H CB 1.041 30.809 29.762 0.010 0.000 1.605 5254 H HN 0.336 nan 8.280 nan 0.000 0.525 5255 E N 3.574 123.841 120.200 0.112 0.000 2.366 5255 E HA 0.065 4.416 4.350 0.001 0.000 0.266 5255 E C -1.902 174.667 176.600 -0.051 0.000 1.015 5255 E CA -1.591 54.829 56.400 0.035 0.000 0.906 5255 E CB 0.926 30.645 29.700 0.032 0.000 0.979 5255 E HN 0.554 nan 8.360 nan 0.000 0.443 5256 P HA -0.012 nan 4.420 nan 0.000 0.270 5256 P C -0.399 176.945 177.300 0.074 0.000 1.227 5256 P CA 0.364 63.412 63.100 -0.086 0.000 0.788 5256 P CB 0.779 32.466 31.700 -0.022 0.000 0.926 5257 H N -0.487 118.492 119.070 -0.151 0.000 2.529 5257 H HA 0.255 4.812 4.556 0.002 0.000 0.348 5257 H C 0.294 175.608 175.328 -0.023 0.000 1.152 5257 H CA -0.760 55.238 56.048 -0.083 0.000 1.202 5257 H CB 1.547 31.265 29.762 -0.073 0.000 1.562 5257 H HN 0.448 nan 8.280 nan 0.000 0.515 5258 E N 1.587 121.833 120.200 0.077 0.000 2.366 5258 E HA 0.285 4.636 4.350 0.001 0.000 0.266 5258 E C -0.792 175.942 176.600 0.223 0.000 1.051 5258 E CA -0.375 56.089 56.400 0.108 0.000 0.884 5258 E CB 1.811 31.531 29.700 0.033 0.000 1.006 5258 E HN 0.135 nan 8.360 nan 0.000 0.417 5259 V N 2.526 122.573 119.914 0.221 0.000 2.808 5259 V HA 0.286 4.407 4.120 0.001 0.000 0.308 5259 V C -0.446 175.694 176.094 0.077 0.000 1.099 5259 V CA -0.871 61.535 62.300 0.177 0.000 0.920 5259 V CB 2.251 34.112 31.823 0.063 0.000 1.014 5259 V HN 0.517 nan 8.190 nan 0.000 0.425 5260 K N 3.546 123.868 120.400 -0.130 0.000 2.207 5260 K HA 0.713 5.034 4.320 0.001 0.000 0.255 5260 K C -1.706 174.724 176.600 -0.283 0.000 0.941 5260 K CA -0.726 55.406 56.287 -0.259 0.000 0.825 5260 K CB 1.650 33.758 32.500 -0.652 0.000 1.119 5260 K HN 0.433 nan 8.250 nan 0.000 0.430 5261 I N 3.536 123.981 120.570 -0.210 0.000 2.498 5261 I HA 0.307 4.478 4.170 0.001 0.000 0.290 5261 I C -0.570 175.527 176.117 -0.034 0.000 1.032 5261 I CA -0.554 60.576 61.300 -0.284 0.000 1.073 5261 I CB 1.819 39.537 38.000 -0.469 0.000 1.251 5261 I HN 0.694 nan 8.210 nan 0.000 0.426 5262 Q N 3.168 122.904 119.800 -0.107 0.000 2.423 5262 Q HA 0.869 5.209 4.340 0.001 0.000 0.278 5262 Q C -0.337 175.413 176.000 -0.417 0.000 1.097 5262 Q CA -1.038 54.632 55.803 -0.222 0.000 0.809 5262 Q CB 3.631 32.273 28.738 -0.159 0.000 1.391 5262 Q HN 0.901 nan 8.270 nan 0.000 0.428 5263 G N -0.370 107.935 108.800 -0.825 0.000 2.321 5263 G HA2 0.335 4.296 3.960 0.001 0.000 0.298 5263 G HA3 0.335 4.296 3.960 0.001 0.000 0.298 5263 G C -1.435 173.006 174.900 -0.766 0.000 1.385 5263 G CA -0.758 43.942 45.100 -0.668 0.000 0.856 5263 G HN 0.392 nan 8.290 nan 0.000 0.584 5264 V N -0.369 119.383 119.914 -0.270 0.000 2.997 5264 V HA 0.852 4.973 4.120 0.001 0.000 0.311 5264 V C -0.066 176.178 176.094 0.250 0.000 1.066 5264 V CA -0.537 61.732 62.300 -0.052 0.000 1.039 5264 V CB 1.113 32.916 31.823 -0.034 0.000 1.081 5264 V HN 1.377 nan 8.190 nan 0.000 0.467 5265 F N 1.813 121.878 119.950 0.191 0.000 2.581 5265 F HA 0.753 5.280 4.527 0.001 0.000 0.311 5265 F C -1.288 174.618 175.800 0.176 0.000 1.113 5265 F CA -1.166 56.991 58.000 0.261 0.000 0.935 5265 F CB 1.222 40.436 39.000 0.356 0.000 1.232 5265 F HN 0.578 nan 8.300 nan 0.000 0.445 5266 Y N 4.053 124.355 120.300 0.004 0.000 2.545 5266 Y HA 0.849 5.399 4.550 0.001 0.000 0.324 5266 Y C -1.096 174.833 175.900 0.049 0.000 1.220 5266 Y CA -1.701 56.311 58.100 -0.146 0.000 1.290 5266 Y CB 1.819 40.240 38.460 -0.065 0.000 1.355 5266 Y HN 1.215 nan 8.280 nan 0.000 0.516 5267 A N 2.527 124.866 122.820 -0.802 0.000 1.819 5267 A HA 0.425 4.746 4.320 0.001 0.000 0.279 5267 A C -0.932 176.288 177.584 -0.607 0.000 1.037 5267 A CA -0.183 51.448 52.037 -0.677 0.000 0.917 5267 A CB -0.878 18.022 19.000 -0.168 0.000 1.193 5267 A HN 1.154 nan 8.150 nan 0.000 0.343 5268 S N 2.092 117.356 115.700 -0.726 0.000 2.549 5268 S HA 0.717 5.188 4.470 0.001 0.000 0.279 5268 S C 0.109 174.580 174.600 -0.215 0.000 1.321 5268 S CA -0.184 57.865 58.200 -0.252 0.000 1.054 5268 S CB 0.539 63.700 63.200 -0.065 0.000 0.899 5268 S HN 0.613 nan 8.310 nan 0.000 0.497 5269 I N 2.624 123.067 120.570 -0.212 0.000 2.441 5269 I HA 0.473 4.644 4.170 0.001 0.000 0.295 5269 I C 0.087 176.116 176.117 -0.148 0.000 0.994 5269 I CA -0.619 60.541 61.300 -0.233 0.000 1.144 5269 I CB 1.750 39.491 38.000 -0.432 0.000 1.314 5269 I HN 0.897 nan 8.210 nan 0.000 0.445 5270 E N 6.202 126.407 120.200 0.008 0.000 2.416 5270 E HA 0.657 5.008 4.350 0.001 0.000 0.273 5270 E C -2.906 173.844 176.600 0.250 0.000 0.935 5270 E CA -2.116 54.357 56.400 0.122 0.000 0.784 5270 E CB 1.841 31.587 29.700 0.077 0.000 1.301 5270 E HN 0.132 nan 8.360 nan 0.000 0.454 5271 P HA 0.000 nan 4.420 nan 0.000 0.216 5271 P CA 0.000 63.134 63.100 0.056 0.000 0.800 5271 P CB 0.000 31.659 31.700 -0.068 0.000 0.726