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 3a0b_1_d DATA FIRST_RESID 5013 DATA SEQUENCE GWFDILDDWL KRDRFVFVGW SGILLFPCAY LALGGWLTGT TFVTSWYTHG DATA SEQUENCE LASSYLEGCN FLTVAVSTPA NSMGHSLLLL WGPEAQGDFT RWCQLGGLWT DATA SEQUENCE FIALHGAFGL IGFMLRQFEI ARLVGVRPYN AIAFSAPIAV FVSVFLIYPL DATA SEQUENCE GQSSWFFAPS FGVAAIFRFL LFFQGFHNWT LNPFHMMGVA GVLGGALLCA DATA SEQUENCE IHGATVENTL FQDGEGASTF RAFNPTQAEE TYSMVTANRF WSQIFGIAFS DATA SEQUENCE NKRWLHFFML FVPVTGLWMS AIGVVGLALN LRSYDFISQE IRAAEDPEFE DATA SEQUENCE TFYTKNLLLN EGIRAWMAPQ DQPHENFVFP EEVLPRGNAL 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 5013 G HA2 0.000 nan 3.960 nan 0.000 0.244 5013 G HA3 0.000 3.974 3.960 0.024 0.000 0.244 5013 G C 0.000 175.058 174.900 0.263 0.000 0.946 5013 G CA 0.000 45.251 45.100 0.252 0.000 0.502 5014 W N 0.333 121.708 121.300 0.126 0.000 2.313 5014 W HA -0.158 4.517 4.660 0.024 0.000 0.293 5014 W C 1.335 177.972 176.519 0.196 0.000 1.216 5014 W CA 1.157 58.578 57.345 0.127 0.000 1.223 5014 W CB -1.182 28.347 29.460 0.114 0.000 1.138 5014 W HN 0.219 nan 8.180 nan 0.000 0.535 5015 F N 3.207 122.616 119.950 -0.902 0.000 2.069 5015 F HA -0.213 4.329 4.527 0.024 0.000 0.298 5015 F C 2.007 177.654 175.800 -0.256 0.000 1.113 5015 F CA 2.171 59.695 58.000 -0.793 0.000 1.214 5015 F CB -1.009 37.695 39.000 -0.493 0.000 0.978 5015 F HN -0.210 nan 8.300 nan 0.000 0.474 5016 D N 0.468 120.639 120.400 -0.382 0.000 2.350 5016 D HA -0.113 4.542 4.640 0.024 0.000 0.216 5016 D C 2.484 178.660 176.300 -0.207 0.000 0.968 5016 D CA 0.909 54.670 54.000 -0.398 0.000 0.894 5016 D CB 0.029 40.699 40.800 -0.217 0.000 0.909 5016 D HN 0.395 nan 8.370 nan 0.000 0.520 5017 I N 0.331 120.835 120.570 -0.110 0.000 2.206 5017 I HA -0.216 3.968 4.170 0.024 0.000 0.239 5017 I C 2.357 178.437 176.117 -0.061 0.000 1.078 5017 I CA 0.310 61.595 61.300 -0.025 0.000 1.367 5017 I CB -0.113 37.937 38.000 0.084 0.000 1.078 5017 I HN -0.004 nan 8.210 nan 0.000 0.413 5018 L N 1.555 122.714 121.223 -0.107 0.000 1.963 5018 L HA -0.327 4.027 4.340 0.024 0.000 0.220 5018 L C 2.070 178.733 176.870 -0.345 0.000 1.076 5018 L CA 2.551 57.285 54.840 -0.178 0.000 0.772 5018 L CB -1.028 40.892 42.059 -0.233 0.000 0.892 5018 L HN 0.332 nan 8.230 nan 0.000 0.435 5019 D N -0.747 119.380 120.400 -0.455 0.000 2.321 5019 D HA -0.304 4.351 4.640 0.024 0.000 0.194 5019 D C 1.754 177.857 176.300 -0.327 0.000 1.013 5019 D CA 2.169 55.860 54.000 -0.515 0.000 0.863 5019 D CB -0.366 40.227 40.800 -0.345 0.000 1.011 5019 D HN 0.556 nan 8.370 nan 0.000 0.457 5020 D N -0.253 120.038 120.400 -0.181 0.000 2.268 5020 D HA -0.243 4.411 4.640 0.024 0.000 0.189 5020 D C 1.652 177.977 176.300 0.041 0.000 1.010 5020 D CA 1.463 55.424 54.000 -0.066 0.000 0.862 5020 D CB -1.001 39.782 40.800 -0.029 0.000 0.943 5020 D HN 0.626 nan 8.370 nan 0.000 0.451 5021 W N 1.499 122.694 121.300 -0.176 0.000 2.151 5021 W HA -0.240 4.435 4.660 0.024 0.000 0.314 5021 W C 2.040 178.455 176.519 -0.172 0.000 1.142 5021 W CA 0.678 57.932 57.345 -0.152 0.000 1.127 5021 W CB -0.640 28.732 29.460 -0.147 0.000 1.180 5021 W HN -0.029 nan 8.180 nan 0.000 0.463 5022 L N 1.376 122.017 121.223 -0.970 0.000 2.320 5022 L HA -0.399 3.955 4.340 0.024 0.000 0.243 5022 L C 2.033 178.481 176.870 -0.702 0.000 1.131 5022 L CA 2.759 56.861 54.840 -1.230 0.000 0.843 5022 L CB -1.910 39.551 42.059 -0.996 0.000 0.976 5022 L HN 0.220 nan 8.230 nan 0.000 0.437 5023 K N 0.499 120.693 120.400 -0.344 0.000 2.630 5023 K HA 0.048 4.383 4.320 0.024 0.000 0.204 5023 K C 0.518 177.064 176.600 -0.091 0.000 1.024 5023 K CA 0.450 56.724 56.287 -0.020 0.000 1.157 5023 K CB -0.330 32.143 32.500 -0.046 0.000 0.899 5023 K HN 0.190 nan 8.250 nan 0.000 0.501 5024 R N 2.036 122.520 120.500 -0.027 0.000 2.216 5024 R HA 0.008 4.362 4.340 0.024 0.000 0.332 5024 R C -0.489 175.864 176.300 0.089 0.000 1.056 5024 R CA -0.210 55.946 56.100 0.094 0.000 0.901 5024 R CB 0.399 30.900 30.300 0.336 0.000 1.039 5024 R HN 0.361 nan 8.270 nan 0.000 0.456 5025 D N 4.876 125.252 120.400 -0.041 0.000 2.813 5025 D HA -0.130 4.525 4.640 0.024 0.000 0.236 5025 D C 0.396 176.739 176.300 0.072 0.000 1.135 5025 D CA 0.543 54.507 54.000 -0.059 0.000 1.515 5025 D CB 0.315 41.054 40.800 -0.102 0.000 1.148 5025 D HN 0.291 nan 8.370 nan 0.000 0.487 5026 R N 0.437 121.035 120.500 0.163 0.000 2.234 5026 R HA -0.042 4.312 4.340 0.024 0.000 0.102 5026 R C 1.381 177.820 176.300 0.232 0.000 0.560 5026 R CA -0.142 56.091 56.100 0.221 0.000 1.847 5026 R CB -0.771 29.694 30.300 0.274 0.000 0.534 5026 R HN 0.320 nan 8.270 nan 0.000 0.684 5027 F N -0.192 119.821 119.950 0.105 0.000 2.274 5027 F HA 0.152 4.693 4.527 0.024 0.000 0.288 5027 F C 0.704 176.573 175.800 0.114 0.000 1.069 5027 F CA 0.398 58.452 58.000 0.090 0.000 1.343 5027 F CB 0.379 39.425 39.000 0.076 0.000 1.089 5027 F HN -0.015 nan 8.300 nan 0.000 0.517 5028 V N 3.175 123.156 119.914 0.112 0.000 2.305 5028 V HA 0.269 4.403 4.120 0.024 0.000 0.275 5028 V C -0.848 175.331 176.094 0.142 0.000 1.020 5028 V CA -1.088 61.245 62.300 0.054 0.000 0.811 5028 V CB -0.097 31.811 31.823 0.141 0.000 1.031 5028 V HN 0.137 nan 8.190 nan 0.000 0.439 5029 F N 6.804 126.742 119.950 -0.020 0.000 2.579 5029 F HA 0.099 4.641 4.527 0.024 0.000 0.397 5029 F C 0.660 176.404 175.800 -0.094 0.000 1.027 5029 F CA 0.840 58.809 58.000 -0.051 0.000 1.217 5029 F CB 0.482 39.454 39.000 -0.046 0.000 0.986 5029 F HN 0.337 nan 8.300 nan 0.000 0.551 5030 V N 5.363 125.079 119.914 -0.330 0.000 2.913 5030 V HA 0.654 4.788 4.120 0.024 0.000 0.193 5030 V C 1.361 176.828 176.094 -1.045 0.000 1.208 5030 V CA 0.421 62.275 62.300 -0.744 0.000 1.335 5030 V CB -1.019 30.394 31.823 -0.685 0.000 1.011 5030 V HN 1.395 nan 8.190 nan 0.000 0.493 5031 G N -1.719 106.690 108.800 -0.652 0.000 2.757 5031 G HA2 -0.218 3.756 3.960 0.024 0.000 0.638 5031 G HA3 -0.218 3.756 3.960 0.024 0.000 0.638 5031 G C -0.180 174.516 174.900 -0.340 0.000 1.344 5031 G CA 0.187 45.029 45.100 -0.430 0.000 0.855 5031 G HN 0.444 nan 8.290 nan 0.000 0.537 5032 W N 0.692 121.897 121.300 -0.158 0.000 2.335 5032 W HA -0.050 4.624 4.660 0.024 0.000 0.311 5032 W C 3.211 179.663 176.519 -0.112 0.000 1.213 5032 W CA 2.854 60.130 57.345 -0.116 0.000 1.274 5032 W CB -0.514 28.915 29.460 -0.051 0.000 1.148 5032 W HN 1.041 nan 8.180 nan 0.000 0.498 5033 S N 0.481 116.251 115.700 0.118 0.000 2.372 5033 S HA -0.229 4.256 4.470 0.024 0.000 0.227 5033 S C 2.117 176.746 174.600 0.048 0.000 1.044 5033 S CA 1.830 60.056 58.200 0.043 0.000 1.050 5033 S CB -1.542 61.633 63.200 -0.041 0.000 0.901 5033 S HN 0.320 nan 8.310 nan 0.000 0.447 5034 G N 2.303 111.099 108.800 -0.007 0.000 2.596 5034 G HA2 -0.233 3.742 3.960 0.024 0.000 0.223 5034 G HA3 -0.233 3.742 3.960 0.024 0.000 0.223 5034 G C 1.402 176.332 174.900 0.049 0.000 1.120 5034 G CA 1.287 46.427 45.100 0.067 0.000 0.752 5034 G HN 0.706 nan 8.290 nan 0.000 0.596 5035 I N -0.432 120.138 120.570 0.000 0.000 2.916 5035 I HA -0.013 4.171 4.170 0.024 0.000 0.267 5035 I C 2.195 178.330 176.117 0.030 0.000 1.263 5035 I CA 0.340 61.647 61.300 0.011 0.000 1.471 5035 I CB -0.203 37.826 38.000 0.048 0.000 1.089 5035 I HN 0.238 nan 8.210 nan 0.000 0.468 5036 L N 0.209 121.462 121.223 0.050 0.000 2.783 5036 L HA 0.189 4.543 4.340 0.024 0.000 0.174 5036 L C 1.854 178.758 176.870 0.057 0.000 1.235 5036 L CA 0.837 55.694 54.840 0.029 0.000 0.862 5036 L CB -1.037 41.033 42.059 0.019 0.000 1.249 5036 L HN 0.038 nan 8.230 nan 0.000 0.518 5037 L N 0.298 121.561 121.223 0.067 0.000 1.987 5037 L HA -0.300 4.054 4.340 0.024 0.000 0.230 5037 L C 2.296 179.173 176.870 0.011 0.000 1.089 5037 L CA 2.744 57.604 54.840 0.033 0.000 0.802 5037 L CB -1.237 40.825 42.059 0.005 0.000 0.905 5037 L HN 0.338 nan 8.230 nan 0.000 0.441 5038 F N 0.297 120.237 119.950 -0.017 0.000 2.063 5038 F HA -0.213 4.329 4.527 0.025 0.000 0.298 5038 F C -0.138 175.673 175.800 0.018 0.000 1.109 5038 F CA 2.756 60.750 58.000 -0.009 0.000 1.212 5038 F CB -2.295 36.664 39.000 -0.067 0.000 0.973 5038 F HN 0.289 nan 8.300 nan 0.000 0.480 5039 P HA -0.160 nan 4.420 nan 0.000 0.211 5039 P C 1.767 179.126 177.300 0.098 0.000 1.179 5039 P CA 2.217 65.373 63.100 0.093 0.000 0.910 5039 P CB -0.435 31.276 31.700 0.018 0.000 0.785 5040 C N 0.478 119.778 119.300 -0.001 0.000 2.413 5040 C HA -0.031 4.443 4.460 0.024 0.000 0.276 5040 C C 2.980 178.014 174.990 0.073 0.000 1.236 5040 C CA 1.234 60.220 59.018 -0.053 0.000 1.735 5040 C CB -2.084 25.640 27.740 -0.027 0.000 2.031 5040 C HN 0.294 nan 8.230 nan 0.000 0.474 5041 A N -2.140 120.714 122.820 0.056 0.000 2.247 5041 A HA 0.007 4.342 4.320 0.024 0.000 0.205 5041 A C 1.379 179.027 177.584 0.106 0.000 1.261 5041 A CA 0.942 52.991 52.037 0.020 0.000 0.853 5041 A CB -0.576 18.366 19.000 -0.095 0.000 0.793 5041 A HN 0.775 nan 8.150 nan 0.000 0.487 5042 Y N -1.021 119.305 120.300 0.044 0.000 2.972 5042 Y HA 0.175 4.740 4.550 0.024 0.000 0.229 5042 Y C 1.532 177.538 175.900 0.177 0.000 0.980 5042 Y CA 0.183 58.340 58.100 0.095 0.000 1.475 5042 Y CB 0.061 38.584 38.460 0.106 0.000 1.459 5042 Y HN 0.114 nan 8.280 nan 0.000 0.460 5043 L N 1.153 122.572 121.223 0.326 0.000 2.263 5043 L HA -0.188 4.166 4.340 0.024 0.000 0.216 5043 L C 2.291 179.448 176.870 0.477 0.000 1.111 5043 L CA 1.901 57.014 54.840 0.454 0.000 0.773 5043 L CB -2.571 39.966 42.059 0.796 0.000 0.906 5043 L HN 0.468 nan 8.230 nan 0.000 0.439 5044 A N -0.048 122.969 122.820 0.327 0.000 1.844 5044 A HA -0.073 4.261 4.320 0.024 0.000 0.212 5044 A C 2.222 179.862 177.584 0.093 0.000 1.221 5044 A CA 0.857 53.019 52.037 0.208 0.000 0.607 5044 A CB -0.781 18.295 19.000 0.127 0.000 0.878 5044 A HN 0.301 nan 8.150 nan 0.000 0.451 5045 L N 0.195 121.448 121.223 0.050 0.000 2.129 5045 L HA -0.140 4.214 4.340 0.024 0.000 0.212 5045 L C 2.028 178.953 176.870 0.092 0.000 1.087 5045 L CA 2.571 57.452 54.840 0.069 0.000 0.757 5045 L CB -1.569 40.502 42.059 0.021 0.000 0.896 5045 L HN 0.395 nan 8.230 nan 0.000 0.434 5046 G N -0.233 108.535 108.800 -0.054 0.000 2.679 5046 G HA2 -0.193 3.781 3.960 0.024 0.000 0.214 5046 G HA3 -0.193 3.781 3.960 0.024 0.000 0.214 5046 G C 1.520 176.388 174.900 -0.053 0.000 1.315 5046 G CA 0.793 45.814 45.100 -0.131 0.000 0.836 5046 G HN 0.490 nan 8.290 nan 0.000 0.580 5047 G N -0.074 108.694 108.800 -0.054 0.000 2.596 5047 G HA2 -0.354 3.620 3.960 0.024 0.000 0.223 5047 G HA3 -0.354 3.620 3.960 0.024 0.000 0.223 5047 G C 1.560 176.356 174.900 -0.174 0.000 1.120 5047 G CA 1.387 46.360 45.100 -0.211 0.000 0.752 5047 G HN 0.485 nan 8.290 nan 0.000 0.596 5048 W N 1.106 122.275 121.300 -0.218 0.000 2.332 5048 W HA -0.043 4.632 4.660 0.025 0.000 0.321 5048 W C 2.407 178.850 176.519 -0.127 0.000 1.219 5048 W CA 1.666 58.886 57.345 -0.210 0.000 1.277 5048 W CB -0.763 28.587 29.460 -0.183 0.000 1.161 5048 W HN 0.158 nan 8.180 nan 0.000 0.476 5049 L N 0.212 121.198 121.223 -0.396 0.000 2.079 5049 L HA -0.264 4.091 4.340 0.024 0.000 0.210 5049 L C 2.466 179.131 176.870 -0.340 0.000 1.081 5049 L CA 1.913 56.445 54.840 -0.513 0.000 0.752 5049 L CB -1.339 40.630 42.059 -0.150 0.000 0.896 5049 L HN -0.002 nan 8.230 nan 0.000 0.433 5050 T N -0.469 113.976 114.554 -0.182 0.000 2.569 5050 T HA -0.174 4.190 4.350 0.024 0.000 0.263 5050 T C 1.834 176.510 174.700 -0.041 0.000 1.074 5050 T CA 1.575 63.666 62.100 -0.015 0.000 1.176 5050 T CB -0.848 68.003 68.868 -0.028 0.000 0.863 5050 T HN 0.536 nan 8.240 nan 0.000 0.410 5051 G N 0.670 109.359 108.800 -0.185 0.000 2.432 5051 G HA2 -0.211 3.764 3.960 0.024 0.000 0.219 5051 G HA3 -0.211 3.764 3.960 0.024 0.000 0.219 5051 G C 1.690 176.378 174.900 -0.352 0.000 1.135 5051 G CA 1.420 46.397 45.100 -0.206 0.000 0.767 5051 G HN 0.464 nan 8.290 nan 0.000 0.550 5052 T N 0.041 114.244 114.554 -0.585 0.000 2.760 5052 T HA -0.182 4.182 4.350 0.024 0.000 0.269 5052 T C 2.330 176.392 174.700 -1.064 0.000 1.047 5052 T CA 2.218 63.804 62.100 -0.857 0.000 1.139 5052 T CB -0.243 67.891 68.868 -1.223 0.000 0.855 5052 T HN 0.575 nan 8.240 nan 0.000 0.471 5053 T N -1.995 112.063 114.554 -0.828 0.000 3.058 5053 T HA 0.341 4.706 4.350 0.024 0.000 0.278 5053 T C 0.781 175.041 174.700 -0.733 0.000 0.974 5053 T CA -0.417 61.148 62.100 -0.892 0.000 0.893 5053 T CB -0.010 68.493 68.868 -0.608 0.000 1.138 5053 T HN 0.214 nan 8.240 nan 0.000 0.529 5054 F N 0.807 120.630 119.950 -0.212 0.000 2.658 5054 F HA 0.502 5.044 4.527 0.025 0.000 0.293 5054 F C 0.538 176.292 175.800 -0.077 0.000 0.986 5054 F CA -0.363 57.578 58.000 -0.099 0.000 1.182 5054 F CB 0.755 39.725 39.000 -0.050 0.000 0.965 5054 F HN -0.002 nan 8.300 nan 0.000 0.659 5055 V N -0.088 119.863 119.914 0.062 0.000 2.713 5055 V HA 0.531 4.666 4.120 0.024 0.000 0.307 5055 V C 0.192 176.281 176.094 -0.007 0.000 1.052 5055 V CA -0.701 61.614 62.300 0.025 0.000 0.967 5055 V CB 1.558 33.353 31.823 -0.046 0.000 1.019 5055 V HN 0.080 nan 8.190 nan 0.000 0.459 5056 T N 0.764 115.348 114.554 0.050 0.000 2.918 5056 T HA 0.392 4.757 4.350 0.024 0.000 0.286 5056 T C 0.446 175.217 174.700 0.118 0.000 1.026 5056 T CA -0.330 61.821 62.100 0.084 0.000 1.031 5056 T CB 1.612 70.566 68.868 0.142 0.000 1.046 5056 T HN 0.681 nan 8.240 nan 0.000 0.479 5057 S N 3.004 118.767 115.700 0.105 0.000 2.588 5057 S HA 0.117 4.602 4.470 0.024 0.000 0.245 5057 S C 1.068 175.763 174.600 0.158 0.000 1.021 5057 S CA -0.734 57.511 58.200 0.075 0.000 1.006 5057 S CB -0.100 63.041 63.200 -0.099 0.000 0.830 5057 S HN 0.802 nan 8.310 nan 0.000 0.468 5058 W N 1.328 122.637 121.300 0.015 0.000 2.424 5058 W HA -0.181 4.494 4.660 0.024 0.000 0.264 5058 W C -0.111 176.299 176.519 -0.183 0.000 1.229 5058 W CA 1.006 58.286 57.345 -0.108 0.000 1.208 5058 W CB -0.224 29.103 29.460 -0.221 0.000 1.127 5058 W HN 0.486 nan 8.180 nan 0.000 0.588 5059 Y N 0.260 120.623 120.300 0.105 0.000 2.482 5059 Y HA -0.056 4.509 4.550 0.024 0.000 0.270 5059 Y C 2.549 178.425 175.900 -0.040 0.000 1.152 5059 Y CA 1.729 59.847 58.100 0.030 0.000 1.292 5059 Y CB -0.298 38.207 38.460 0.076 0.000 1.070 5059 Y HN -0.037 nan 8.280 nan 0.000 0.528 5060 T N -5.907 108.694 114.554 0.078 0.000 3.057 5060 T HA 0.095 4.460 4.350 0.024 0.000 0.254 5060 T C 0.754 175.468 174.700 0.023 0.000 0.965 5060 T CA 0.324 62.455 62.100 0.053 0.000 0.978 5060 T CB -0.104 68.790 68.868 0.043 0.000 1.169 5060 T HN 0.123 nan 8.240 nan 0.000 0.489 5061 H N 0.792 119.730 119.070 -0.219 0.000 2.674 5061 H HA 0.567 5.138 4.556 0.024 0.000 0.274 5061 H C 1.679 176.854 175.328 -0.255 0.000 1.121 5061 H CA -0.627 55.291 56.048 -0.217 0.000 1.132 5061 H CB 0.246 29.862 29.762 -0.245 0.000 1.606 5061 H HN 0.535 nan 8.280 nan 0.000 0.558 5062 G N 1.186 109.773 108.800 -0.355 0.000 2.420 5062 G HA2 -0.311 3.664 3.960 0.024 0.000 0.305 5062 G HA3 -0.311 3.664 3.960 0.024 0.000 0.305 5062 G C 0.142 174.744 174.900 -0.497 0.000 0.971 5062 G CA 1.105 45.673 45.100 -0.887 0.000 0.843 5062 G HN 0.412 nan 8.290 nan 0.000 0.512 5063 L N -0.998 120.190 121.223 -0.058 0.000 2.286 5063 L HA 0.872 5.226 4.340 0.024 0.000 0.265 5063 L C 0.427 177.431 176.870 0.223 0.000 1.012 5063 L CA -0.679 54.225 54.840 0.107 0.000 0.818 5063 L CB 1.750 43.850 42.059 0.069 0.000 1.337 5063 L HN 0.223 nan 8.230 nan 0.000 0.438 5064 A N 0.856 123.783 122.820 0.179 0.000 2.274 5064 A HA 0.586 4.921 4.320 0.024 0.000 0.309 5064 A C 0.035 177.651 177.584 0.053 0.000 1.226 5064 A CA -0.273 51.843 52.037 0.132 0.000 0.853 5064 A CB 1.033 20.098 19.000 0.108 0.000 1.146 5064 A HN 0.811 nan 8.150 nan 0.000 0.518 5065 S N 1.130 116.841 115.700 0.018 0.000 2.612 5065 S HA 0.113 4.598 4.470 0.024 0.000 0.193 5065 S C 1.311 175.845 174.600 -0.109 0.000 0.898 5065 S CA 0.571 58.740 58.200 -0.052 0.000 0.872 5065 S CB -0.588 62.568 63.200 -0.073 0.000 0.843 5065 S HN 0.975 nan 8.310 nan 0.000 0.611 5066 S N 0.676 116.291 115.700 -0.142 0.000 2.554 5066 S HA -0.022 4.462 4.470 0.024 0.000 0.290 5066 S C 0.797 175.308 174.600 -0.149 0.000 1.309 5066 S CA -0.195 57.859 58.200 -0.244 0.000 1.047 5066 S CB -0.116 62.987 63.200 -0.162 0.000 0.828 5066 S HN 0.324 nan 8.310 nan 0.000 0.509 5067 Y N 2.998 123.218 120.300 -0.134 0.000 2.274 5067 Y HA -0.057 4.507 4.550 0.024 0.000 0.290 5067 Y C 2.110 177.947 175.900 -0.105 0.000 1.145 5067 Y CA 0.772 58.805 58.100 -0.112 0.000 1.203 5067 Y CB -0.831 37.540 38.460 -0.148 0.000 0.984 5067 Y HN 0.640 nan 8.280 nan 0.000 0.533 5068 L N 0.331 121.548 121.223 -0.009 0.000 2.079 5068 L HA -0.246 4.108 4.340 0.024 0.000 0.210 5068 L C 1.779 178.653 176.870 0.007 0.000 1.081 5068 L CA 1.732 56.563 54.840 -0.015 0.000 0.752 5068 L CB -0.230 41.818 42.059 -0.018 0.000 0.896 5068 L HN 0.318 nan 8.230 nan 0.000 0.433 5069 E N -0.800 119.402 120.200 0.004 0.000 2.418 5069 E HA -0.043 4.322 4.350 0.024 0.000 0.197 5069 E C 1.421 178.033 176.600 0.020 0.000 1.026 5069 E CA 0.623 57.026 56.400 0.004 0.000 0.862 5069 E CB 0.143 29.847 29.700 0.007 0.000 0.799 5069 E HN 0.733 nan 8.360 nan 0.000 0.518 5070 G N 0.920 109.745 108.800 0.042 0.000 2.218 5070 G HA2 -0.277 3.698 3.960 0.024 0.000 0.216 5070 G HA3 -0.277 3.698 3.960 0.024 0.000 0.216 5070 G C 0.618 175.562 174.900 0.073 0.000 0.994 5070 G CA -0.102 45.026 45.100 0.047 0.000 0.637 5070 G HN 0.334 nan 8.290 nan 0.000 0.505 5071 C N 0.627 119.982 119.300 0.091 0.000 2.824 5071 C HA 0.381 4.855 4.460 0.024 0.000 0.395 5071 C C 1.152 176.242 174.990 0.168 0.000 1.240 5071 C CA 1.170 60.255 59.018 0.113 0.000 1.892 5071 C CB -0.025 27.771 27.740 0.093 0.000 2.683 5071 C HN 0.732 nan 8.230 nan 0.000 0.691 5072 N N -0.182 118.608 118.700 0.150 0.000 2.430 5072 N HA 0.350 5.105 4.740 0.024 0.000 0.298 5072 N C 0.419 176.083 175.510 0.257 0.000 1.130 5072 N CA -0.648 52.497 53.050 0.158 0.000 0.894 5072 N CB 0.387 38.940 38.487 0.109 0.000 1.209 5072 N HN 0.518 nan 8.380 nan 0.000 0.503 5073 F N 2.705 122.714 119.950 0.098 0.000 2.048 5073 F HA -0.318 4.223 4.527 0.023 0.000 0.296 5073 F C 1.307 177.211 175.800 0.173 0.000 1.109 5073 F CA 1.879 59.992 58.000 0.189 0.000 1.214 5073 F CB -0.684 38.350 39.000 0.057 0.000 0.963 5073 F HN 0.558 nan 8.300 nan 0.000 0.491 5074 L N -0.107 121.051 121.223 -0.110 0.000 1.956 5074 L HA -0.274 4.081 4.340 0.024 0.000 0.216 5074 L C 2.537 179.274 176.870 -0.223 0.000 1.073 5074 L CA 2.385 57.040 54.840 -0.308 0.000 0.762 5074 L CB -1.950 40.044 42.059 -0.107 0.000 0.889 5074 L HN 0.409 nan 8.230 nan 0.000 0.433 5075 T N -2.464 112.048 114.554 -0.070 0.000 3.139 5075 T HA 0.032 4.397 4.350 0.024 0.000 0.267 5075 T C 0.646 175.328 174.700 -0.031 0.000 1.164 5075 T CA -0.004 62.072 62.100 -0.041 0.000 1.075 5075 T CB -0.834 68.046 68.868 0.020 0.000 0.904 5075 T HN 0.024 nan 8.240 nan 0.000 0.540 5076 V N 1.433 121.333 119.914 -0.023 0.000 2.904 5076 V HA 0.802 4.937 4.120 0.024 0.000 0.305 5076 V C 0.488 176.550 176.094 -0.054 0.000 1.067 5076 V CA -0.194 62.076 62.300 -0.050 0.000 1.044 5076 V CB 0.914 32.688 31.823 -0.081 0.000 1.050 5076 V HN 0.830 nan 8.190 nan 0.000 0.475 5077 A N 2.395 125.173 122.820 -0.070 0.000 2.490 5077 A HA 0.637 4.972 4.320 0.024 0.000 0.292 5077 A C -1.377 176.200 177.584 -0.011 0.000 1.047 5077 A CA -0.404 51.652 52.037 0.032 0.000 0.632 5077 A CB 1.128 20.138 19.000 0.016 0.000 1.323 5077 A HN 0.679 nan 8.150 nan 0.000 0.448 5078 V N 2.214 122.202 119.914 0.123 0.000 2.294 5078 V HA 0.283 4.417 4.120 0.024 0.000 0.258 5078 V C 0.481 176.649 176.094 0.124 0.000 1.080 5078 V CA -0.225 62.121 62.300 0.076 0.000 1.128 5078 V CB 0.130 32.020 31.823 0.111 0.000 1.323 5078 V HN 0.749 nan 8.190 nan 0.000 0.498 5079 S N 2.944 118.578 115.700 -0.110 0.000 2.563 5079 S HA 0.088 4.573 4.470 0.024 0.000 0.294 5079 S C 1.182 175.483 174.600 -0.498 0.000 1.279 5079 S CA 0.297 58.266 58.200 -0.386 0.000 1.069 5079 S CB 0.388 63.159 63.200 -0.714 0.000 0.828 5079 S HN 0.944 nan 8.310 nan 0.000 0.497 5080 T N 3.045 117.183 114.554 -0.694 0.000 2.689 5080 T HA 0.041 4.406 4.350 0.024 0.000 0.362 5080 T C -2.044 172.278 174.700 -0.629 0.000 1.078 5080 T CA -0.923 60.616 62.100 -0.934 0.000 1.103 5080 T CB -0.530 67.667 68.868 -1.118 0.000 1.022 5080 T HN 0.393 nan 8.240 nan 0.000 0.545 5081 P HA 0.350 nan 4.420 nan 0.000 0.274 5081 P C -0.419 176.768 177.300 -0.188 0.000 1.256 5081 P CA -0.565 62.391 63.100 -0.239 0.000 0.795 5081 P CB 0.347 31.969 31.700 -0.131 0.000 1.038 5082 A N 1.527 124.305 122.820 -0.069 0.000 2.511 5082 A HA -0.009 4.325 4.320 0.024 0.000 0.242 5082 A C 1.637 179.280 177.584 0.098 0.000 1.069 5082 A CA -0.294 51.761 52.037 0.031 0.000 0.763 5082 A CB -0.813 18.205 19.000 0.031 0.000 1.001 5082 A HN 0.724 nan 8.150 nan 0.000 0.498 5083 N N 1.837 120.679 118.700 0.237 0.000 2.430 5083 N HA -0.139 4.616 4.740 0.024 0.000 0.186 5083 N C 1.156 176.619 175.510 -0.078 0.000 1.032 5083 N CA 1.597 54.618 53.050 -0.048 0.000 0.893 5083 N CB -0.047 38.042 38.487 -0.663 0.000 0.957 5083 N HN 0.582 nan 8.380 nan 0.000 0.442 5084 S N 0.259 115.935 115.700 -0.039 0.000 2.469 5084 S HA -0.073 4.411 4.470 0.024 0.000 0.238 5084 S C 1.715 176.301 174.600 -0.023 0.000 0.998 5084 S CA 0.551 58.742 58.200 -0.016 0.000 0.957 5084 S CB -0.073 63.133 63.200 0.010 0.000 0.764 5084 S HN 0.277 nan 8.310 nan 0.000 0.514 5085 M N 0.805 120.395 119.600 -0.017 0.000 2.098 5085 M HA 0.180 4.675 4.480 0.024 0.000 0.262 5085 M C 1.544 177.822 176.300 -0.036 0.000 1.072 5085 M CA 1.340 56.638 55.300 -0.004 0.000 1.133 5085 M CB -1.292 31.327 32.600 0.031 0.000 1.344 5085 M HN 0.447 nan 8.290 nan 0.000 0.414 5086 G N -1.432 107.292 108.800 -0.127 0.000 2.445 5086 G HA2 -0.197 3.777 3.960 0.024 0.000 0.212 5086 G HA3 -0.197 3.777 3.960 0.024 0.000 0.212 5086 G C 0.050 174.691 174.900 -0.431 0.000 1.217 5086 G CA -0.061 44.842 45.100 -0.328 0.000 1.002 5086 G HN 0.466 nan 8.290 nan 0.000 0.574 5087 H N 0.843 119.814 119.070 -0.166 0.000 2.594 5087 H HA 0.379 4.950 4.556 0.024 0.000 0.279 5087 H C 1.249 176.845 175.328 0.446 0.000 1.042 5087 H CA 0.601 56.478 56.048 -0.285 0.000 1.177 5087 H CB -0.031 29.428 29.762 -0.504 0.000 1.524 5087 H HN 0.408 nan 8.280 nan 0.000 0.537 5088 S N 2.990 118.894 115.700 0.340 0.000 2.626 5088 S HA -0.045 4.439 4.470 0.024 0.000 0.303 5088 S C 1.737 176.538 174.600 0.334 0.000 1.256 5088 S CA -0.242 58.119 58.200 0.268 0.000 1.069 5088 S CB 0.251 63.537 63.200 0.143 0.000 0.807 5088 S HN 0.452 nan 8.310 nan 0.000 0.500 5089 L N 2.425 123.796 121.223 0.247 0.000 2.855 5089 L HA 0.272 4.626 4.340 0.024 0.000 0.257 5089 L C 0.590 177.495 176.870 0.058 0.000 1.206 5089 L CA 0.038 54.973 54.840 0.158 0.000 1.042 5089 L CB -1.096 41.046 42.059 0.138 0.000 1.321 5089 L HN 0.672 nan 8.230 nan 0.000 0.417 5090 L N 1.115 122.380 121.223 0.070 0.000 4.472 5090 L HA -0.251 4.104 4.340 0.024 0.000 0.513 5090 L C 0.259 177.192 176.870 0.104 0.000 0.997 5090 L CA -0.034 54.838 54.840 0.054 0.000 0.721 5090 L CB -0.377 41.683 42.059 0.002 0.000 1.729 5090 L HN 0.444 nan 8.230 nan 0.000 0.787 5091 L N -0.027 121.121 121.223 -0.124 0.000 2.503 5091 L HA -0.179 4.176 4.340 0.024 0.000 0.287 5091 L C 1.316 177.978 176.870 -0.347 0.000 1.252 5091 L CA 0.705 55.227 54.840 -0.531 0.000 0.835 5091 L CB 0.084 41.381 42.059 -1.269 0.000 1.099 5091 L HN 0.309 nan 8.230 nan 0.000 0.516 5092 L N 1.549 122.364 121.223 -0.680 0.000 2.056 5092 L HA -0.158 4.196 4.340 0.024 0.000 0.207 5092 L C 1.733 178.598 176.870 -0.007 0.000 1.078 5092 L CA 1.859 56.388 54.840 -0.518 0.000 0.749 5092 L CB -0.891 40.880 42.059 -0.480 0.000 0.901 5092 L HN 0.925 nan 8.230 nan 0.000 0.433 5093 W N -0.119 121.154 121.300 -0.046 0.000 3.290 5093 W HA 0.481 5.156 4.660 0.024 0.000 0.287 5093 W C 0.967 177.517 176.519 0.051 0.000 1.288 5093 W CA -0.332 57.017 57.345 0.005 0.000 1.725 5093 W CB -1.136 28.322 29.460 -0.004 0.000 1.103 5093 W HN 0.102 nan 8.180 nan 0.000 0.670 5094 G N 2.379 111.006 108.800 -0.289 0.000 2.569 5094 G HA2 0.179 4.154 3.960 0.024 0.000 0.249 5094 G HA3 0.179 4.154 3.960 0.024 0.000 0.249 5094 G C -0.968 173.925 174.900 -0.011 0.000 1.216 5094 G CA -1.007 43.995 45.100 -0.164 0.000 0.845 5094 G HN -0.083 nan 8.290 nan 0.000 0.568 5095 P HA -0.195 nan 4.420 nan 0.000 0.224 5095 P C 0.952 178.277 177.300 0.042 0.000 1.138 5095 P CA 1.203 64.327 63.100 0.039 0.000 0.780 5095 P CB 0.246 31.968 31.700 0.036 0.000 0.755 5096 E N 1.241 121.465 120.200 0.040 0.000 1.999 5096 E HA -0.065 4.299 4.350 0.024 0.000 0.198 5096 E C 2.113 178.755 176.600 0.071 0.000 0.960 5096 E CA 1.046 57.477 56.400 0.052 0.000 0.870 5096 E CB -1.246 28.489 29.700 0.058 0.000 0.827 5096 E HN 0.122 nan 8.360 nan 0.000 0.511 5097 A N 0.313 123.202 122.820 0.115 0.000 2.209 5097 A HA -0.122 4.212 4.320 0.024 0.000 0.212 5097 A C 1.061 178.715 177.584 0.116 0.000 1.158 5097 A CA 1.035 53.154 52.037 0.138 0.000 0.742 5097 A CB -0.574 18.578 19.000 0.253 0.000 0.790 5097 A HN 0.441 nan 8.150 nan 0.000 0.472 5098 Q N -2.815 117.045 119.800 0.100 0.000 2.377 5098 Q HA -0.233 4.121 4.340 0.024 0.000 0.234 5098 Q C 0.560 176.633 176.000 0.121 0.000 0.847 5098 Q CA 0.796 56.658 55.803 0.099 0.000 1.280 5098 Q CB -2.501 26.284 28.738 0.078 0.000 1.717 5098 Q HN 1.833 nan 8.270 nan 0.000 0.579 5099 G N 0.753 109.636 108.800 0.139 0.000 2.826 5099 G HA2 0.094 4.068 3.960 0.024 0.000 0.623 5099 G HA3 0.094 4.068 3.960 0.024 0.000 0.623 5099 G C -0.950 174.025 174.900 0.126 0.000 1.127 5099 G CA -0.190 44.995 45.100 0.142 0.000 1.165 5099 G HN 0.226 nan 8.290 nan 0.000 0.504 5100 D N 2.115 122.607 120.400 0.153 0.000 3.204 5100 D HA -0.016 4.639 4.640 0.024 0.000 0.220 5100 D C 1.034 177.520 176.300 0.310 0.000 1.451 5100 D CA -0.174 53.936 54.000 0.183 0.000 1.183 5100 D CB -0.602 40.285 40.800 0.145 0.000 1.348 5100 D HN 0.451 nan 8.370 nan 0.000 0.664 5101 F N 2.070 122.088 119.950 0.112 0.000 2.076 5101 F HA -0.342 4.199 4.527 0.024 0.000 0.294 5101 F C 1.784 177.746 175.800 0.270 0.000 1.078 5101 F CA 2.786 60.925 58.000 0.231 0.000 1.247 5101 F CB -0.725 38.335 39.000 0.100 0.000 0.984 5101 F HN 0.284 nan 8.300 nan 0.000 0.491 5102 T N 0.235 115.158 114.554 0.615 0.000 2.569 5102 T HA -0.243 4.121 4.350 0.024 0.000 0.263 5102 T C 1.946 176.757 174.700 0.184 0.000 1.074 5102 T CA 2.145 64.473 62.100 0.381 0.000 1.176 5102 T CB -0.264 68.721 68.868 0.196 0.000 0.863 5102 T HN 0.178 nan 8.240 nan 0.000 0.410 5103 R N -0.216 120.368 120.500 0.140 0.000 2.103 5103 R HA -0.118 4.237 4.340 0.024 0.000 0.234 5103 R C 1.989 178.328 176.300 0.066 0.000 1.132 5103 R CA 2.071 58.200 56.100 0.048 0.000 0.925 5103 R CB -0.983 29.357 30.300 0.068 0.000 0.842 5103 R HN 0.558 nan 8.270 nan 0.000 0.430 5104 W N 0.275 121.549 121.300 -0.043 0.000 2.276 5104 W HA -0.382 4.293 4.660 0.024 0.000 0.307 5104 W C 2.232 178.661 176.519 -0.149 0.000 1.240 5104 W CA 1.629 58.928 57.345 -0.077 0.000 1.249 5104 W CB -0.790 28.644 29.460 -0.045 0.000 1.140 5104 W HN 0.252 nan 8.180 nan 0.000 0.519 5105 C N 0.430 119.662 119.300 -0.113 0.000 2.508 5105 C HA -0.166 4.309 4.460 0.024 0.000 0.280 5105 C C 2.740 177.563 174.990 -0.278 0.000 1.262 5105 C CA 1.897 60.698 59.018 -0.360 0.000 1.706 5105 C CB -1.205 26.397 27.740 -0.229 0.000 2.078 5105 C HN 0.507 nan 8.230 nan 0.000 0.480 5106 Q N 0.216 119.902 119.800 -0.189 0.000 2.135 5106 Q HA -0.127 4.228 4.340 0.024 0.000 0.204 5106 Q C 1.717 177.596 176.000 -0.202 0.000 0.981 5106 Q CA 1.238 56.898 55.803 -0.238 0.000 0.856 5106 Q CB -0.299 28.111 28.738 -0.546 0.000 0.902 5106 Q HN 0.655 nan 8.270 nan 0.000 0.425 5107 L N 0.489 121.588 121.223 -0.206 0.000 2.711 5107 L HA 0.073 4.427 4.340 0.024 0.000 0.242 5107 L C 0.748 177.492 176.870 -0.211 0.000 1.153 5107 L CA 0.214 54.960 54.840 -0.157 0.000 0.898 5107 L CB -0.938 41.051 42.059 -0.117 0.000 1.044 5107 L HN 0.411 nan 8.230 nan 0.000 0.437 5108 G N 0.461 109.104 108.800 -0.261 0.000 2.323 5108 G HA2 -0.295 3.680 3.960 0.024 0.000 0.292 5108 G HA3 -0.295 3.680 3.960 0.024 0.000 0.292 5108 G C 0.985 175.639 174.900 -0.409 0.000 1.040 5108 G CA 0.272 45.196 45.100 -0.293 0.000 0.942 5108 G HN 0.538 nan 8.290 nan 0.000 0.506 5109 G N -0.168 108.188 108.800 -0.739 0.000 2.422 5109 G HA2 -0.034 3.940 3.960 0.024 0.000 0.218 5109 G HA3 -0.034 3.940 3.960 0.024 0.000 0.218 5109 G C 1.791 176.129 174.900 -0.938 0.000 1.146 5109 G CA 1.180 45.603 45.100 -1.129 0.000 0.769 5109 G HN 0.754 nan 8.290 nan 0.000 0.547 5110 L N -1.475 119.159 121.223 -0.982 0.000 2.083 5110 L HA 0.010 4.365 4.340 0.024 0.000 0.209 5110 L C 2.566 179.327 176.870 -0.183 0.000 1.083 5110 L CA 1.204 55.670 54.840 -0.624 0.000 0.752 5110 L CB -0.544 41.132 42.059 -0.638 0.000 0.899 5110 L HN 0.413 nan 8.230 nan 0.000 0.433 5111 W N 1.812 122.943 121.300 -0.281 0.000 2.358 5111 W HA -0.252 4.422 4.660 0.023 0.000 0.303 5111 W C 2.811 179.268 176.519 -0.103 0.000 1.208 5111 W CA 2.280 59.575 57.345 -0.084 0.000 1.274 5111 W CB -0.141 29.298 29.460 -0.036 0.000 1.138 5111 W HN 0.270 nan 8.180 nan 0.000 0.515 5112 T N -1.646 113.043 114.554 0.225 0.000 2.746 5112 T HA -0.317 4.047 4.350 0.024 0.000 0.267 5112 T C 1.692 176.314 174.700 -0.129 0.000 1.039 5112 T CA 1.346 63.417 62.100 -0.048 0.000 1.142 5112 T CB -1.192 67.621 68.868 -0.092 0.000 0.866 5112 T HN 0.231 nan 8.240 nan 0.000 0.444 5113 F N 2.476 122.291 119.950 -0.226 0.000 2.134 5113 F HA 0.164 4.705 4.527 0.024 0.000 0.299 5113 F C 1.871 177.380 175.800 -0.485 0.000 1.097 5113 F CA 0.232 58.039 58.000 -0.322 0.000 1.264 5113 F CB -0.586 38.391 39.000 -0.038 0.000 1.001 5113 F HN 0.141 nan 8.300 nan 0.000 0.479 5114 I N 0.026 120.617 120.570 0.035 0.000 2.546 5114 I HA -0.171 4.014 4.170 0.024 0.000 0.255 5114 I C 2.495 178.378 176.117 -0.390 0.000 1.163 5114 I CA 0.984 62.131 61.300 -0.255 0.000 1.457 5114 I CB -0.801 36.732 38.000 -0.778 0.000 1.092 5114 I HN 0.227 nan 8.210 nan 0.000 0.434 5115 A N 0.781 123.351 122.820 -0.417 0.000 1.887 5115 A HA 0.065 4.400 4.320 0.024 0.000 0.212 5115 A C 2.228 179.800 177.584 -0.021 0.000 1.198 5115 A CA 0.564 52.500 52.037 -0.168 0.000 0.628 5115 A CB -0.588 18.060 19.000 -0.586 0.000 0.847 5115 A HN 0.272 nan 8.150 nan 0.000 0.449 5116 L N -0.967 120.163 121.223 -0.155 0.000 2.046 5116 L HA -0.220 4.135 4.340 0.024 0.000 0.208 5116 L C 2.575 179.438 176.870 -0.012 0.000 1.077 5116 L CA 1.612 56.372 54.840 -0.133 0.000 0.747 5116 L CB -0.722 41.285 42.059 -0.087 0.000 0.896 5116 L HN 0.552 nan 8.230 nan 0.000 0.432 5117 H N -1.116 117.901 119.070 -0.089 0.000 2.299 5117 H HA -0.095 4.475 4.556 0.024 0.000 0.302 5117 H C 2.265 177.572 175.328 -0.036 0.000 1.078 5117 H CA 0.630 56.660 56.048 -0.031 0.000 1.323 5117 H CB -0.173 29.517 29.762 -0.121 0.000 1.381 5117 H HN 0.380 nan 8.280 nan 0.000 0.498 5118 G N 0.551 109.393 108.800 0.070 0.000 2.462 5118 G HA2 -0.263 3.711 3.960 0.024 0.000 0.220 5118 G HA3 -0.263 3.711 3.960 0.024 0.000 0.220 5118 G C 1.782 176.536 174.900 -0.244 0.000 1.121 5118 G CA 0.782 45.850 45.100 -0.052 0.000 0.758 5118 G HN 0.463 nan 8.290 nan 0.000 0.559 5119 A N 0.922 123.603 122.820 -0.232 0.000 1.825 5119 A HA 0.157 4.492 4.320 0.024 0.000 0.214 5119 A C 2.044 179.458 177.584 -0.284 0.000 1.206 5119 A CA 1.413 53.184 52.037 -0.443 0.000 0.609 5119 A CB -0.679 18.075 19.000 -0.409 0.000 0.851 5119 A HN 0.240 nan 8.150 nan 0.000 0.445 5120 F N 0.733 120.655 119.950 -0.048 0.000 2.333 5120 F HA 0.002 4.544 4.527 0.024 0.000 0.300 5120 F C 2.522 178.298 175.800 -0.040 0.000 1.083 5120 F CA 0.649 58.633 58.000 -0.026 0.000 1.395 5120 F CB -0.901 38.098 39.000 -0.001 0.000 1.056 5120 F HN 0.285 nan 8.300 nan 0.000 0.529 5121 G N -0.864 108.000 108.800 0.105 0.000 2.511 5121 G HA2 -0.133 3.842 3.960 0.024 0.000 0.217 5121 G HA3 -0.133 3.842 3.960 0.024 0.000 0.217 5121 G C 1.524 176.427 174.900 0.006 0.000 1.133 5121 G CA 0.231 45.354 45.100 0.038 0.000 0.792 5121 G HN 0.260 nan 8.290 nan 0.000 0.539 5122 L N 0.681 121.875 121.223 -0.048 0.000 2.418 5122 L HA 0.273 4.627 4.340 0.024 0.000 0.218 5122 L C 2.259 179.188 176.870 0.098 0.000 1.125 5122 L CA 0.428 55.269 54.840 0.001 0.000 0.835 5122 L CB -0.101 41.838 42.059 -0.199 0.000 0.953 5122 L HN 0.055 nan 8.230 nan 0.000 0.454 5123 I N -0.913 119.702 120.570 0.075 0.000 2.201 5123 I HA -0.016 4.168 4.170 0.024 0.000 0.233 5123 I C 2.547 178.709 176.117 0.075 0.000 1.067 5123 I CA 1.337 62.707 61.300 0.116 0.000 1.354 5123 I CB -1.978 36.145 38.000 0.204 0.000 1.108 5123 I HN 0.229 nan 8.210 nan 0.000 0.411 5124 G N 0.627 109.475 108.800 0.081 0.000 2.606 5124 G HA2 -0.355 3.619 3.960 0.024 0.000 0.223 5124 G HA3 -0.355 3.619 3.960 0.024 0.000 0.223 5124 G C 1.743 176.625 174.900 -0.029 0.000 1.106 5124 G CA 1.107 46.230 45.100 0.037 0.000 0.745 5124 G HN 0.372 nan 8.290 nan 0.000 0.597 5125 F N 0.060 119.895 119.950 -0.192 0.000 2.367 5125 F HA 0.282 4.824 4.527 0.024 0.000 0.298 5125 F C 2.529 178.041 175.800 -0.480 0.000 1.094 5125 F CA 1.335 59.128 58.000 -0.344 0.000 1.409 5125 F CB 0.041 38.775 39.000 -0.443 0.000 1.064 5125 F HN 0.150 nan 8.300 nan 0.000 0.528 5126 M N -0.502 118.826 119.600 -0.454 0.000 2.236 5126 M HA -0.106 4.388 4.480 0.024 0.000 0.266 5126 M C 1.612 177.684 176.300 -0.379 0.000 1.070 5126 M CA 1.037 56.019 55.300 -0.530 0.000 1.137 5126 M CB -0.072 32.426 32.600 -0.171 0.000 1.378 5126 M HN 0.089 nan 8.290 nan 0.000 0.426 5127 L N 0.037 121.173 121.223 -0.145 0.000 2.191 5127 L HA -0.161 4.193 4.340 0.024 0.000 0.212 5127 L C 2.376 179.213 176.870 -0.056 0.000 1.103 5127 L CA 1.521 56.376 54.840 0.025 0.000 0.769 5127 L CB -1.756 40.333 42.059 0.051 0.000 0.908 5127 L HN 0.370 nan 8.230 nan 0.000 0.438 5128 R N 0.464 120.813 120.500 -0.251 0.000 2.115 5128 R HA -0.150 4.204 4.340 0.024 0.000 0.230 5128 R C 2.181 178.305 176.300 -0.294 0.000 1.111 5128 R CA 1.322 57.245 56.100 -0.296 0.000 0.976 5128 R CB -0.104 29.916 30.300 -0.467 0.000 0.870 5128 R HN 0.437 nan 8.270 nan 0.000 0.445 5129 Q N -1.209 118.325 119.800 -0.443 0.000 2.123 5129 Q HA 0.036 4.391 4.340 0.024 0.000 0.196 5129 Q C 1.911 177.873 176.000 -0.064 0.000 0.958 5129 Q CA 1.407 57.017 55.803 -0.322 0.000 0.841 5129 Q CB -0.140 28.312 28.738 -0.477 0.000 0.915 5129 Q HN 0.338 nan 8.270 nan 0.000 0.455 5130 F N 1.251 121.129 119.950 -0.120 0.000 2.161 5130 F HA -0.262 4.279 4.527 0.025 0.000 0.300 5130 F C 2.349 178.136 175.800 -0.021 0.000 1.089 5130 F CA 0.804 58.771 58.000 -0.055 0.000 1.282 5130 F CB 0.172 39.145 39.000 -0.046 0.000 1.010 5130 F HN 0.233 nan 8.300 nan 0.000 0.485 5131 E N 1.050 121.366 120.200 0.194 0.000 2.005 5131 E HA -0.238 4.127 4.350 0.024 0.000 0.198 5131 E C 2.119 178.815 176.600 0.160 0.000 1.010 5131 E CA 1.854 58.359 56.400 0.175 0.000 0.825 5131 E CB -0.211 29.617 29.700 0.213 0.000 0.769 5131 E HN 0.323 nan 8.360 nan 0.000 0.456 5132 I N 1.045 121.725 120.570 0.184 0.000 2.091 5132 I HA -0.341 3.843 4.170 0.024 0.000 0.239 5132 I C 2.618 178.763 176.117 0.046 0.000 1.061 5132 I CA 1.300 62.669 61.300 0.115 0.000 1.317 5132 I CB -0.600 37.477 38.000 0.129 0.000 1.031 5132 I HN 0.214 nan 8.210 nan 0.000 0.401 5133 A N 0.596 123.453 122.820 0.062 0.000 2.032 5133 A HA -0.278 4.056 4.320 0.024 0.000 0.221 5133 A C 2.328 179.932 177.584 0.033 0.000 1.165 5133 A CA 2.256 54.323 52.037 0.049 0.000 0.645 5133 A CB -0.583 18.476 19.000 0.098 0.000 0.807 5133 A HN 0.374 nan 8.150 nan 0.000 0.453 5134 R N -0.221 120.306 120.500 0.046 0.000 2.080 5134 R HA 0.151 4.505 4.340 0.024 0.000 0.222 5134 R C 1.854 178.149 176.300 -0.009 0.000 1.107 5134 R CA 1.277 57.383 56.100 0.009 0.000 0.980 5134 R CB -0.796 29.507 30.300 0.006 0.000 0.879 5134 R HN 0.480 nan 8.270 nan 0.000 0.439 5135 L N -0.291 120.927 121.223 -0.008 0.000 1.948 5135 L HA -0.139 4.215 4.340 0.024 0.000 0.212 5135 L C 2.211 179.046 176.870 -0.059 0.000 1.074 5135 L CA 1.487 56.299 54.840 -0.046 0.000 0.753 5135 L CB -0.690 41.314 42.059 -0.092 0.000 0.888 5135 L HN -0.008 nan 8.230 nan 0.000 0.432 5136 V N 0.007 119.882 119.914 -0.065 0.000 2.688 5136 V HA -0.086 4.049 4.120 0.024 0.000 0.256 5136 V C 1.110 177.179 176.094 -0.043 0.000 1.084 5136 V CA 0.998 63.263 62.300 -0.059 0.000 1.103 5136 V CB -1.595 30.195 31.823 -0.054 0.000 0.688 5136 V HN 0.751 nan 8.190 nan 0.000 0.480 5137 G N 0.756 109.536 108.800 -0.034 0.000 2.694 5137 G HA2 -0.016 3.959 3.960 0.024 0.000 0.247 5137 G HA3 -0.016 3.959 3.960 0.024 0.000 0.247 5137 G C -0.580 174.297 174.900 -0.039 0.000 0.989 5137 G CA -0.011 45.069 45.100 -0.034 0.000 1.252 5137 G HN 1.135 nan 8.290 nan 0.000 0.483 5138 V N 0.111 120.002 119.914 -0.038 0.000 3.178 5138 V HA 0.722 4.856 4.120 0.024 0.000 0.302 5138 V C 0.510 176.554 176.094 -0.083 0.000 1.262 5138 V CA -2.089 60.175 62.300 -0.059 0.000 1.030 5138 V CB 1.740 33.536 31.823 -0.046 0.000 1.074 5138 V HN 0.763 nan 8.190 nan 0.000 0.438 5139 R N 2.725 123.123 120.500 -0.170 0.000 2.566 5139 R HA 0.111 4.466 4.340 0.024 0.000 0.273 5139 R C -1.933 174.257 176.300 -0.184 0.000 0.981 5139 R CA -0.658 55.251 56.100 -0.320 0.000 1.091 5139 R CB 0.019 29.915 30.300 -0.673 0.000 0.924 5139 R HN 0.620 nan 8.270 nan 0.000 0.411 5140 P HA -0.017 nan 4.420 nan 0.000 0.254 5140 P C -0.085 177.392 177.300 0.295 0.000 1.631 5140 P CA 0.220 63.461 63.100 0.236 0.000 0.861 5140 P CB -0.022 32.001 31.700 0.539 0.000 1.663 5141 Y N -0.101 120.232 120.300 0.056 0.000 2.583 5141 Y HA -0.016 4.549 4.550 0.025 0.000 0.293 5141 Y C 2.219 178.124 175.900 0.007 0.000 1.157 5141 Y CA -0.503 57.617 58.100 0.032 0.000 1.315 5141 Y CB -1.213 37.267 38.460 0.034 0.000 1.021 5141 Y HN 0.279 nan 8.280 nan 0.000 0.536 5142 N N 0.066 118.844 118.700 0.129 0.000 2.178 5142 N HA -0.114 4.641 4.740 0.024 0.000 0.189 5142 N C 2.134 177.633 175.510 -0.017 0.000 1.048 5142 N CA 1.029 54.108 53.050 0.049 0.000 0.855 5142 N CB -0.000 38.483 38.487 -0.007 0.000 1.028 5142 N HN 0.139 nan 8.380 nan 0.000 0.441 5143 A N 1.165 123.857 122.820 -0.214 0.000 1.948 5143 A HA -0.166 4.168 4.320 0.024 0.000 0.220 5143 A C 2.150 179.568 177.584 -0.277 0.000 1.177 5143 A CA 1.104 52.846 52.037 -0.491 0.000 0.636 5143 A CB -0.759 17.358 19.000 -1.472 0.000 0.815 5143 A HN 0.521 nan 8.150 nan 0.000 0.449 5144 I N -0.204 120.299 120.570 -0.113 0.000 2.142 5144 I HA -0.195 3.990 4.170 0.024 0.000 0.240 5144 I C 2.572 178.681 176.117 -0.013 0.000 1.078 5144 I CA 1.612 62.920 61.300 0.013 0.000 1.343 5144 I CB -0.298 37.775 38.000 0.123 0.000 1.046 5144 I HN 0.273 nan 8.210 nan 0.000 0.405 5145 A N -0.826 121.999 122.820 0.007 0.000 2.178 5145 A HA -0.210 4.125 4.320 0.024 0.000 0.218 5145 A C 2.045 179.657 177.584 0.047 0.000 1.157 5145 A CA 1.039 53.072 52.037 -0.007 0.000 0.689 5145 A CB -1.219 17.792 19.000 0.018 0.000 0.787 5145 A HN 0.540 nan 8.150 nan 0.000 0.465 5146 F N 1.036 120.960 119.950 -0.043 0.000 2.811 5146 F HA -0.026 4.515 4.527 0.025 0.000 0.301 5146 F C 2.407 178.241 175.800 0.057 0.000 1.151 5146 F CA 0.780 58.787 58.000 0.011 0.000 1.412 5146 F CB -0.054 38.954 39.000 0.014 0.000 1.113 5146 F HN 0.338 nan 8.300 nan 0.000 0.579 5147 S N 0.295 116.049 115.700 0.090 0.000 2.356 5147 S HA -0.230 4.255 4.470 0.024 0.000 0.223 5147 S C 2.449 177.257 174.600 0.347 0.000 1.032 5147 S CA 0.917 59.256 58.200 0.232 0.000 1.005 5147 S CB -1.178 62.087 63.200 0.110 0.000 0.867 5147 S HN 0.357 nan 8.310 nan 0.000 0.449 5148 A N 3.927 126.851 122.820 0.174 0.000 1.873 5148 A HA -0.131 4.203 4.320 0.024 0.000 0.219 5148 A C 0.573 178.143 177.584 -0.022 0.000 1.269 5148 A CA 2.216 54.369 52.037 0.194 0.000 0.671 5148 A CB -2.053 16.941 19.000 -0.010 0.000 0.842 5148 A HN 0.651 nan 8.150 nan 0.000 0.460 5149 P HA -0.058 nan 4.420 nan 0.000 0.222 5149 P C 1.506 178.608 177.300 -0.330 0.000 1.153 5149 P CA 0.771 63.641 63.100 -0.383 0.000 0.798 5149 P CB -0.144 31.178 31.700 -0.631 0.000 0.796 5150 I N 0.799 121.172 120.570 -0.328 0.000 2.113 5150 I HA -0.210 3.975 4.170 0.024 0.000 0.238 5150 I C 2.551 178.642 176.117 -0.043 0.000 1.070 5150 I CA 1.570 62.801 61.300 -0.114 0.000 1.332 5150 I CB -1.763 36.277 38.000 0.067 0.000 1.044 5150 I HN -0.058 nan 8.210 nan 0.000 0.402 5151 A N 0.757 123.543 122.820 -0.057 0.000 1.842 5151 A HA -0.241 4.094 4.320 0.024 0.000 0.217 5151 A C 2.563 180.047 177.584 -0.167 0.000 1.206 5151 A CA 2.484 54.368 52.037 -0.256 0.000 0.630 5151 A CB -1.463 17.048 19.000 -0.816 0.000 0.839 5151 A HN 0.248 nan 8.150 nan 0.000 0.447 5152 V N -0.858 118.960 119.914 -0.160 0.000 2.242 5152 V HA -0.359 3.775 4.120 0.024 0.000 0.257 5152 V C 2.190 178.242 176.094 -0.071 0.000 1.073 5152 V CA 3.249 65.487 62.300 -0.103 0.000 1.058 5152 V CB -0.792 30.975 31.823 -0.094 0.000 0.664 5152 V HN 0.659 nan 8.190 nan 0.000 0.451 5153 F N 0.401 120.190 119.950 -0.270 0.000 2.046 5153 F HA -0.171 4.370 4.527 0.024 0.000 0.297 5153 F C 2.221 177.905 175.800 -0.194 0.000 1.123 5153 F CA 2.575 60.335 58.000 -0.400 0.000 1.199 5153 F CB -1.026 37.710 39.000 -0.440 0.000 0.972 5153 F HN 0.080 nan 8.300 nan 0.000 0.474 5154 V N 0.225 120.374 119.914 0.393 0.000 2.278 5154 V HA -0.393 3.742 4.120 0.024 0.000 0.251 5154 V C 2.551 178.717 176.094 0.119 0.000 1.062 5154 V CA 2.265 64.738 62.300 0.289 0.000 1.038 5154 V CB -1.427 30.488 31.823 0.154 0.000 0.646 5154 V HN 0.462 nan 8.190 nan 0.000 0.447 5155 S N -0.207 115.513 115.700 0.034 0.000 2.356 5155 S HA -0.126 4.359 4.470 0.024 0.000 0.223 5155 S C 1.716 176.358 174.600 0.072 0.000 1.032 5155 S CA 1.676 59.885 58.200 0.016 0.000 1.005 5155 S CB -0.181 62.985 63.200 -0.056 0.000 0.867 5155 S HN 0.435 nan 8.310 nan 0.000 0.449 5156 V N 0.086 120.039 119.914 0.064 0.000 3.649 5156 V HA 0.210 4.345 4.120 0.024 0.000 0.275 5156 V C 0.582 176.905 176.094 0.382 0.000 1.281 5156 V CA 0.876 63.274 62.300 0.163 0.000 1.143 5156 V CB -0.595 31.290 31.823 0.103 0.000 0.892 5156 V HN 0.376 nan 8.190 nan 0.000 0.441 5157 F N -1.560 118.272 119.950 -0.196 0.000 2.880 5157 F HA 0.427 4.968 4.527 0.023 0.000 0.346 5157 F C 1.173 177.068 175.800 0.157 0.000 1.054 5157 F CA -0.158 57.725 58.000 -0.195 0.000 1.151 5157 F CB 0.371 38.806 39.000 -0.942 0.000 1.066 5157 F HN -0.016 nan 8.300 nan 0.000 0.566 5158 L N -0.867 120.567 121.223 0.351 0.000 2.738 5158 L HA 0.181 4.536 4.340 0.024 0.000 0.175 5158 L C 2.033 179.063 176.870 0.267 0.000 1.125 5158 L CA 0.374 55.467 54.840 0.421 0.000 0.857 5158 L CB -0.388 41.864 42.059 0.323 0.000 1.300 5158 L HN -0.165 nan 8.230 nan 0.000 0.499 5159 I N -1.272 119.402 120.570 0.174 0.000 2.252 5159 I HA -0.268 3.916 4.170 0.024 0.000 0.245 5159 I C 2.683 178.846 176.117 0.078 0.000 1.102 5159 I CA 1.511 62.860 61.300 0.082 0.000 1.385 5159 I CB -0.728 37.311 38.000 0.065 0.000 1.064 5159 I HN 0.163 nan 8.210 nan 0.000 0.414 5160 Y N 3.149 123.462 120.300 0.022 0.000 2.030 5160 Y HA -0.159 4.406 4.550 0.025 0.000 0.274 5160 Y C -0.336 175.549 175.900 -0.024 0.000 1.153 5160 Y CA 1.817 59.927 58.100 0.016 0.000 1.115 5160 Y CB -1.975 36.554 38.460 0.115 0.000 0.969 5160 Y HN 0.081 nan 8.280 nan 0.000 0.488 5161 P HA -0.226 nan 4.420 nan 0.000 0.214 5161 P C 2.097 179.161 177.300 -0.393 0.000 1.163 5161 P CA 2.299 65.240 63.100 -0.266 0.000 0.889 5161 P CB -0.257 31.418 31.700 -0.040 0.000 0.790 5162 L N -1.263 119.566 121.223 -0.656 0.000 2.089 5162 L HA -0.193 4.162 4.340 0.024 0.000 0.213 5162 L C 2.468 179.007 176.870 -0.551 0.000 1.079 5162 L CA 1.970 56.208 54.840 -1.003 0.000 0.758 5162 L CB -1.461 40.253 42.059 -0.575 0.000 0.891 5162 L HN 0.141 nan 8.230 nan 0.000 0.433 5163 G N -2.098 106.517 108.800 -0.308 0.000 2.777 5163 G HA2 -0.023 3.951 3.960 0.024 0.000 0.211 5163 G HA3 -0.023 3.951 3.960 0.024 0.000 0.211 5163 G C 0.896 175.669 174.900 -0.211 0.000 1.149 5163 G CA -0.048 44.933 45.100 -0.198 0.000 0.785 5163 G HN 0.242 nan 8.290 nan 0.000 0.536 5164 Q N -0.724 118.897 119.800 -0.298 0.000 2.915 5164 Q HA 0.586 4.941 4.340 0.024 0.000 0.186 5164 Q C 2.053 177.895 176.000 -0.263 0.000 1.106 5164 Q CA 0.023 55.614 55.803 -0.354 0.000 0.700 5164 Q CB 0.583 28.960 28.738 -0.602 0.000 4.029 5164 Q HN 0.078 nan 8.270 nan 0.000 0.362 5165 S N -1.269 114.191 115.700 -0.400 0.000 2.315 5165 S HA 0.143 4.628 4.470 0.024 0.000 0.196 5165 S C 0.588 174.928 174.600 -0.432 0.000 1.045 5165 S CA 0.578 58.553 58.200 -0.374 0.000 1.055 5165 S CB -0.516 62.383 63.200 -0.502 0.000 0.963 5165 S HN 0.495 nan 8.310 nan 0.000 0.439 5166 S N -1.756 113.745 115.700 -0.332 0.000 2.767 5166 S HA 0.358 4.842 4.470 0.024 0.000 0.300 5166 S C 0.201 174.688 174.600 -0.189 0.000 1.123 5166 S CA -0.564 57.398 58.200 -0.396 0.000 0.992 5166 S CB 0.153 63.285 63.200 -0.113 0.000 1.138 5166 S HN 0.622 nan 8.310 nan 0.000 0.550 5167 W N 0.790 122.006 121.300 -0.141 0.000 2.465 5167 W HA 0.024 4.698 4.660 0.023 0.000 0.268 5167 W C 1.724 178.048 176.519 -0.325 0.000 1.242 5167 W CA 0.041 57.245 57.345 -0.235 0.000 1.248 5167 W CB -0.281 28.955 29.460 -0.374 0.000 1.118 5167 W HN 0.812 nan 8.180 nan 0.000 0.587 5168 F N 0.596 120.483 119.950 -0.106 0.000 2.070 5168 F HA -0.369 4.172 4.527 0.024 0.000 0.298 5168 F C 1.706 177.413 175.800 -0.155 0.000 1.189 5168 F CA 1.859 59.753 58.000 -0.177 0.000 1.223 5168 F CB -0.912 37.932 39.000 -0.259 0.000 0.939 5168 F HN -0.252 nan 8.300 nan 0.000 0.531 5169 F N 1.235 121.426 119.950 0.401 0.000 2.668 5169 F HA 0.001 4.542 4.527 0.024 0.000 0.293 5169 F C 1.051 176.927 175.800 0.127 0.000 1.258 5169 F CA -0.153 57.968 58.000 0.201 0.000 1.480 5169 F CB -1.505 37.440 39.000 -0.091 0.000 1.122 5169 F HN 0.114 nan 8.300 nan 0.000 0.611 5170 A N -0.050 122.863 122.820 0.154 0.000 2.279 5170 A HA 0.521 4.855 4.320 0.024 0.000 0.303 5170 A C -2.174 175.257 177.584 -0.255 0.000 1.108 5170 A CA -1.813 50.260 52.037 0.059 0.000 0.830 5170 A CB 0.132 19.090 19.000 -0.069 0.000 1.106 5170 A HN -0.085 nan 8.150 nan 0.000 0.493 5171 P HA 0.113 nan 4.420 nan 0.000 0.269 5171 P C -0.422 176.404 177.300 -0.789 0.000 1.211 5171 P CA 0.392 62.716 63.100 -1.293 0.000 0.781 5171 P CB 0.538 31.100 31.700 -1.898 0.000 0.877 5172 S N 0.988 116.334 115.700 -0.589 0.000 2.502 5172 S HA 0.475 4.959 4.470 0.024 0.000 0.304 5172 S C -0.742 173.668 174.600 -0.317 0.000 1.097 5172 S CA -0.433 57.544 58.200 -0.372 0.000 1.045 5172 S CB 0.111 63.143 63.200 -0.280 0.000 1.019 5172 S HN 0.157 nan 8.310 nan 0.000 0.481 5173 F N 2.952 122.923 119.950 0.034 0.000 2.516 5173 F HA 0.485 5.027 4.527 0.024 0.000 0.351 5173 F C 1.355 177.247 175.800 0.153 0.000 1.208 5173 F CA 0.250 58.282 58.000 0.054 0.000 1.073 5173 F CB -0.268 38.819 39.000 0.145 0.000 1.203 5173 F HN 0.645 nan 8.300 nan 0.000 0.602 5174 G N 0.847 109.729 108.800 0.136 0.000 2.368 5174 G HA2 0.373 4.348 3.960 0.024 0.000 0.293 5174 G HA3 0.373 4.348 3.960 0.024 0.000 0.293 5174 G C -0.210 174.584 174.900 -0.176 0.000 1.467 5174 G CA -0.538 44.596 45.100 0.057 0.000 0.804 5174 G HN 0.226 nan 8.290 nan 0.000 0.535 5175 V N -0.312 119.372 119.914 -0.382 0.000 2.374 5175 V HA 0.242 4.377 4.120 0.024 0.000 0.241 5175 V C 3.075 178.430 176.094 -1.231 0.000 1.034 5175 V CA 2.259 64.126 62.300 -0.722 0.000 1.037 5175 V CB -1.067 30.285 31.823 -0.785 0.000 0.682 5175 V HN 1.287 nan 8.190 nan 0.000 0.463 5176 A N 0.448 122.705 122.820 -0.937 0.000 2.125 5176 A HA 0.092 4.427 4.320 0.024 0.000 0.219 5176 A C 2.315 179.756 177.584 -0.238 0.000 1.156 5176 A CA 1.746 53.421 52.037 -0.603 0.000 0.671 5176 A CB -0.669 18.189 19.000 -0.238 0.000 0.794 5176 A HN 0.642 nan 8.150 nan 0.000 0.459 5177 A N 0.909 123.589 122.820 -0.234 0.000 1.855 5177 A HA -0.069 4.266 4.320 0.024 0.000 0.215 5177 A C 2.102 179.677 177.584 -0.015 0.000 1.191 5177 A CA 1.496 53.476 52.037 -0.094 0.000 0.613 5177 A CB -0.660 18.275 19.000 -0.108 0.000 0.829 5177 A HN 0.901 nan 8.150 nan 0.000 0.442 5178 I N -4.856 115.687 120.570 -0.044 0.000 2.617 5178 I HA -0.014 4.170 4.170 0.024 0.000 0.256 5178 I C 1.914 178.244 176.117 0.355 0.000 1.167 5178 I CA 0.804 62.162 61.300 0.096 0.000 1.469 5178 I CB -0.541 37.483 38.000 0.040 0.000 1.098 5178 I HN 0.061 nan 8.210 nan 0.000 0.436 5179 F N 2.168 122.176 119.950 0.097 0.000 2.161 5179 F HA -0.131 4.412 4.527 0.028 0.000 0.300 5179 F C 2.722 178.621 175.800 0.165 0.000 1.089 5179 F CA 1.030 59.096 58.000 0.111 0.000 1.282 5179 F CB -1.232 37.814 39.000 0.077 0.000 1.010 5179 F HN 0.173 nan 8.300 nan 0.000 0.485 5180 R N 0.639 121.364 120.500 0.375 0.000 2.127 5180 R HA -0.250 4.105 4.340 0.024 0.000 0.228 5180 R C 2.345 178.909 176.300 0.441 0.000 1.125 5180 R CA 1.822 58.131 56.100 0.349 0.000 0.904 5180 R CB -1.687 28.798 30.300 0.309 0.000 0.831 5180 R HN 0.257 nan 8.270 nan 0.000 0.431 5181 F N 1.271 121.379 119.950 0.264 0.000 2.101 5181 F HA -0.356 4.185 4.527 0.023 0.000 0.298 5181 F C 2.306 178.307 175.800 0.335 0.000 1.076 5181 F CA 2.018 60.179 58.000 0.270 0.000 1.248 5181 F CB -0.225 38.812 39.000 0.063 0.000 0.999 5181 F HN 0.083 nan 8.300 nan 0.000 0.488 5182 L N -0.363 121.072 121.223 0.353 0.000 1.970 5182 L HA -0.283 4.072 4.340 0.024 0.000 0.212 5182 L C 2.296 179.335 176.870 0.282 0.000 1.071 5182 L CA 1.421 56.401 54.840 0.233 0.000 0.751 5182 L CB -0.965 41.206 42.059 0.187 0.000 0.889 5182 L HN 0.162 nan 8.230 nan 0.000 0.432 5183 L N -1.408 119.974 121.223 0.266 0.000 2.362 5183 L HA -0.189 4.165 4.340 0.024 0.000 0.219 5183 L C 2.527 179.557 176.870 0.266 0.000 1.134 5183 L CA 0.796 55.761 54.840 0.208 0.000 0.807 5183 L CB -0.728 41.421 42.059 0.149 0.000 0.927 5183 L HN 0.208 nan 8.230 nan 0.000 0.447 5184 F N 1.325 121.422 119.950 0.246 0.000 2.060 5184 F HA -0.197 4.344 4.527 0.023 0.000 0.295 5184 F C 2.247 178.248 175.800 0.336 0.000 1.120 5184 F CA 1.382 59.604 58.000 0.370 0.000 1.205 5184 F CB -0.502 38.662 39.000 0.274 0.000 0.986 5184 F HN -0.153 nan 8.300 nan 0.000 0.470 5185 F N 0.796 121.046 119.950 0.500 0.000 2.069 5185 F HA -0.233 4.308 4.527 0.025 0.000 0.298 5185 F C 2.693 178.627 175.800 0.223 0.000 1.113 5185 F CA 1.822 60.040 58.000 0.363 0.000 1.214 5185 F CB -1.464 37.561 39.000 0.043 0.000 0.978 5185 F HN 0.068 nan 8.300 nan 0.000 0.474 5186 Q N 0.824 120.827 119.800 0.339 0.000 2.197 5186 Q HA -0.103 4.251 4.340 0.024 0.000 0.207 5186 Q C 2.221 178.216 176.000 -0.007 0.000 0.984 5186 Q CA 1.793 57.687 55.803 0.151 0.000 0.869 5186 Q CB -1.065 27.737 28.738 0.107 0.000 0.906 5186 Q HN 0.393 nan 8.270 nan 0.000 0.426 5187 G N -0.823 107.923 108.800 -0.090 0.000 2.662 5187 G HA2 -0.173 3.801 3.960 0.024 0.000 0.215 5187 G HA3 -0.173 3.801 3.960 0.024 0.000 0.215 5187 G C 0.696 175.312 174.900 -0.473 0.000 1.310 5187 G CA 0.687 45.533 45.100 -0.423 0.000 0.849 5187 G HN 0.422 nan 8.290 nan 0.000 0.568 5188 F N -0.301 119.401 119.950 -0.413 0.000 2.780 5188 F HA 0.353 4.894 4.527 0.024 0.000 0.299 5188 F C 2.159 177.610 175.800 -0.582 0.000 1.146 5188 F CA 0.182 57.881 58.000 -0.502 0.000 1.428 5188 F CB -0.266 38.359 39.000 -0.625 0.000 1.115 5188 F HN 0.160 nan 8.300 nan 0.000 0.583 5189 H N -1.001 118.000 119.070 -0.114 0.000 2.800 5189 H HA 0.155 4.725 4.556 0.024 0.000 0.257 5189 H C 0.529 175.726 175.328 -0.218 0.000 0.967 5189 H CA 0.561 56.503 56.048 -0.177 0.000 1.192 5189 H CB -0.051 29.637 29.762 -0.123 0.000 1.441 5189 H HN 0.062 nan 8.280 nan 0.000 0.461 5190 N N 0.265 118.942 118.700 -0.038 0.000 2.756 5190 N HA -0.206 4.548 4.740 0.024 0.000 0.248 5190 N C 0.821 176.467 175.510 0.226 0.000 1.062 5190 N CA 0.623 53.679 53.050 0.011 0.000 0.696 5190 N CB -1.784 36.614 38.487 -0.148 0.000 0.946 5190 N HN 0.619 nan 8.380 nan 0.000 0.548 5191 W N 0.222 121.560 121.300 0.064 0.000 2.318 5191 W HA -0.287 4.390 4.660 0.027 0.000 0.313 5191 W C 2.110 178.576 176.519 -0.088 0.000 1.221 5191 W CA 1.514 58.869 57.345 0.017 0.000 1.266 5191 W CB -0.526 28.931 29.460 -0.005 0.000 1.150 5191 W HN 0.437 nan 8.180 nan 0.000 0.496 5192 T N 0.746 115.258 114.554 -0.070 0.000 3.003 5192 T HA -0.257 4.108 4.350 0.024 0.000 0.270 5192 T C 1.193 175.841 174.700 -0.087 0.000 1.153 5192 T CA 1.503 63.487 62.100 -0.192 0.000 1.089 5192 T CB -0.373 68.449 68.868 -0.076 0.000 0.838 5192 T HN 0.085 nan 8.240 nan 0.000 0.562 5193 L N 1.179 122.403 121.223 0.003 0.000 2.808 5193 L HA 0.481 4.835 4.340 0.024 0.000 0.246 5193 L C 0.267 177.204 176.870 0.111 0.000 1.153 5193 L CA -0.142 54.735 54.840 0.063 0.000 0.956 5193 L CB 0.105 42.224 42.059 0.100 0.000 1.270 5193 L HN 0.123 nan 8.230 nan 0.000 0.528 5194 N N 0.488 119.207 118.700 0.031 0.000 2.408 5194 N HA 0.139 4.893 4.740 0.024 0.000 0.257 5194 N C -1.878 173.671 175.510 0.065 0.000 1.064 5194 N CA -1.509 51.581 53.050 0.066 0.000 0.952 5194 N CB 1.754 40.245 38.487 0.007 0.000 1.093 5194 N HN -0.040 nan 8.380 nan 0.000 0.490 5195 P HA -0.192 nan 4.420 nan 0.000 0.219 5195 P C 1.038 178.463 177.300 0.209 0.000 1.161 5195 P CA 1.534 64.771 63.100 0.227 0.000 0.909 5195 P CB 0.010 31.904 31.700 0.323 0.000 0.793 5196 F N -1.576 118.355 119.950 -0.031 0.000 2.027 5196 F HA -0.270 4.271 4.527 0.024 0.000 0.297 5196 F C 2.655 178.354 175.800 -0.168 0.000 1.129 5196 F CA 1.588 59.562 58.000 -0.042 0.000 1.195 5196 F CB -2.062 36.971 39.000 0.056 0.000 0.960 5196 F HN 0.158 nan 8.300 nan 0.000 0.485 5197 H N 0.500 119.390 119.070 -0.300 0.000 2.431 5197 H HA -0.187 4.383 4.556 0.023 0.000 0.297 5197 H C 1.839 176.977 175.328 -0.316 0.000 1.115 5197 H CA 1.866 57.568 56.048 -0.576 0.000 1.277 5197 H CB -0.358 28.432 29.762 -1.619 0.000 1.372 5197 H HN 0.268 nan 8.280 nan 0.000 0.516 5198 M N -0.181 119.344 119.600 -0.124 0.000 2.700 5198 M HA -0.066 4.428 4.480 0.024 0.000 0.249 5198 M C 1.655 177.886 176.300 -0.115 0.000 1.082 5198 M CA 0.749 56.003 55.300 -0.076 0.000 1.077 5198 M CB 0.100 32.695 32.600 -0.008 0.000 1.477 5198 M HN 0.301 nan 8.290 nan 0.000 0.529 5199 M N -1.897 117.610 119.600 -0.155 0.000 2.638 5199 M HA 0.199 4.694 4.480 0.024 0.000 0.256 5199 M C 2.214 178.415 176.300 -0.166 0.000 1.282 5199 M CA 0.474 55.697 55.300 -0.128 0.000 1.155 5199 M CB -0.260 32.268 32.600 -0.120 0.000 1.345 5199 M HN 0.327 nan 8.290 nan 0.000 0.523 5200 G N 0.970 109.620 108.800 -0.249 0.000 2.446 5200 G HA2 -0.148 3.827 3.960 0.024 0.000 0.217 5200 G HA3 -0.148 3.827 3.960 0.024 0.000 0.217 5200 G C 1.447 176.173 174.900 -0.289 0.000 1.168 5200 G CA 1.008 45.949 45.100 -0.266 0.000 0.771 5200 G HN 0.226 nan 8.290 nan 0.000 0.551 5201 V N 1.886 121.553 119.914 -0.412 0.000 2.233 5201 V HA -0.208 3.927 4.120 0.024 0.000 0.247 5201 V C 3.379 179.383 176.094 -0.151 0.000 1.050 5201 V CA 2.268 64.418 62.300 -0.251 0.000 1.010 5201 V CB -1.262 30.456 31.823 -0.175 0.000 0.637 5201 V HN 0.512 nan 8.190 nan 0.000 0.444 5202 A N 0.506 123.246 122.820 -0.134 0.000 1.909 5202 A HA -0.281 4.053 4.320 0.024 0.000 0.221 5202 A C 2.387 179.917 177.584 -0.091 0.000 1.223 5202 A CA 2.753 54.736 52.037 -0.089 0.000 0.658 5202 A CB -1.513 17.445 19.000 -0.071 0.000 0.831 5202 A HN 0.601 nan 8.150 nan 0.000 0.462 5203 G N -0.995 107.742 108.800 -0.105 0.000 2.484 5203 G HA2 -0.096 3.878 3.960 0.024 0.000 0.215 5203 G HA3 -0.096 3.878 3.960 0.024 0.000 0.215 5203 G C 1.400 176.233 174.900 -0.111 0.000 1.219 5203 G CA 1.231 46.266 45.100 -0.108 0.000 0.791 5203 G HN 0.476 nan 8.290 nan 0.000 0.550 5204 V N 0.926 120.776 119.914 -0.107 0.000 3.140 5204 V HA -0.032 4.103 4.120 0.024 0.000 0.269 5204 V C 2.477 178.519 176.094 -0.086 0.000 1.149 5204 V CA 0.920 63.165 62.300 -0.092 0.000 1.162 5204 V CB -0.338 31.437 31.823 -0.081 0.000 0.756 5204 V HN 0.288 nan 8.190 nan 0.000 0.523 5205 L N -0.561 120.609 121.223 -0.089 0.000 2.356 5205 L HA 0.214 4.568 4.340 0.024 0.000 0.193 5205 L C 2.617 179.431 176.870 -0.093 0.000 1.087 5205 L CA 1.266 56.059 54.840 -0.078 0.000 0.817 5205 L CB -1.026 40.993 42.059 -0.066 0.000 1.035 5205 L HN 0.382 nan 8.230 nan 0.000 0.482 5206 G N -0.051 108.687 108.800 -0.102 0.000 2.440 5206 G HA2 -0.243 3.732 3.960 0.024 0.000 0.218 5206 G HA3 -0.243 3.732 3.960 0.024 0.000 0.218 5206 G C 1.493 176.289 174.900 -0.174 0.000 1.154 5206 G CA 0.878 45.900 45.100 -0.129 0.000 0.767 5206 G HN 0.495 nan 8.290 nan 0.000 0.552 5207 G N 0.835 109.534 108.800 -0.168 0.000 2.432 5207 G HA2 0.089 4.064 3.960 0.024 0.000 0.219 5207 G HA3 0.089 4.064 3.960 0.024 0.000 0.219 5207 G C 1.952 176.763 174.900 -0.148 0.000 1.135 5207 G CA 1.400 46.391 45.100 -0.181 0.000 0.767 5207 G HN 0.668 nan 8.290 nan 0.000 0.550 5208 A N 0.054 122.804 122.820 -0.116 0.000 2.014 5208 A HA 0.282 4.617 4.320 0.024 0.000 0.218 5208 A C 2.260 179.785 177.584 -0.098 0.000 1.163 5208 A CA 1.078 53.059 52.037 -0.093 0.000 0.652 5208 A CB -0.203 18.754 19.000 -0.072 0.000 0.808 5208 A HN 0.403 nan 8.150 nan 0.000 0.449 5209 L N -0.631 120.522 121.223 -0.117 0.000 2.095 5209 L HA -0.003 4.351 4.340 0.024 0.000 0.204 5209 L C 2.269 179.043 176.870 -0.160 0.000 1.080 5209 L CA 0.908 55.673 54.840 -0.124 0.000 0.759 5209 L CB -0.194 41.787 42.059 -0.129 0.000 0.914 5209 L HN 0.364 nan 8.230 nan 0.000 0.439 5210 L N -0.957 120.147 121.223 -0.200 0.000 1.976 5210 L HA -0.299 4.055 4.340 0.024 0.000 0.209 5210 L C 2.813 179.581 176.870 -0.170 0.000 1.071 5210 L CA 1.481 56.177 54.840 -0.240 0.000 0.746 5210 L CB -1.087 40.771 42.059 -0.335 0.000 0.890 5210 L HN 0.450 nan 8.230 nan 0.000 0.432 5211 C N 0.077 119.291 119.300 -0.143 0.000 2.396 5211 C HA -0.276 4.199 4.460 0.024 0.000 0.279 5211 C C 2.842 177.787 174.990 -0.075 0.000 1.229 5211 C CA 1.276 60.240 59.018 -0.090 0.000 1.801 5211 C CB -0.707 26.987 27.740 -0.078 0.000 2.050 5211 C HN 0.622 nan 8.230 nan 0.000 0.491 5212 A N -1.449 121.315 122.820 -0.092 0.000 2.055 5212 A HA 0.174 4.509 4.320 0.024 0.000 0.205 5212 A C 1.773 179.292 177.584 -0.107 0.000 1.235 5212 A CA 0.693 52.678 52.037 -0.088 0.000 0.822 5212 A CB -0.602 18.357 19.000 -0.069 0.000 0.903 5212 A HN 0.483 nan 8.150 nan 0.000 0.473 5213 I N -0.130 120.356 120.570 -0.139 0.000 2.208 5213 I HA -0.236 3.948 4.170 0.024 0.000 0.245 5213 I C 2.023 178.009 176.117 -0.219 0.000 1.097 5213 I CA 2.524 63.708 61.300 -0.193 0.000 1.363 5213 I CB -0.606 37.204 38.000 -0.317 0.000 1.051 5213 I HN 0.529 nan 8.210 nan 0.000 0.413 5214 H N 0.136 119.016 119.070 -0.317 0.000 2.436 5214 H HA 0.131 4.700 4.556 0.022 0.000 0.294 5214 H C 2.173 177.338 175.328 -0.271 0.000 1.048 5214 H CA 1.472 57.309 56.048 -0.352 0.000 1.353 5214 H CB -0.661 28.878 29.762 -0.372 0.000 1.414 5214 H HN 0.353 nan 8.280 nan 0.000 0.536 5215 G N 0.078 108.755 108.800 -0.205 0.000 2.480 5215 G HA2 -0.280 3.694 3.960 0.024 0.000 0.216 5215 G HA3 -0.280 3.694 3.960 0.024 0.000 0.216 5215 G C 1.714 176.486 174.900 -0.214 0.000 1.200 5215 G CA 1.005 45.983 45.100 -0.203 0.000 0.782 5215 G HN 0.562 nan 8.290 nan 0.000 0.554 5216 A N -1.026 121.700 122.820 -0.157 0.000 2.218 5216 A HA 0.296 4.630 4.320 0.024 0.000 0.209 5216 A C 2.210 179.708 177.584 -0.143 0.000 1.168 5216 A CA 1.762 53.724 52.037 -0.124 0.000 0.804 5216 A CB -0.350 18.610 19.000 -0.067 0.000 0.834 5216 A HN 0.328 nan 8.150 nan 0.000 0.482 5217 T N -1.285 113.150 114.554 -0.197 0.000 3.014 5217 T HA 0.000 4.365 4.350 0.024 0.000 0.263 5217 T C 1.720 176.226 174.700 -0.324 0.000 1.078 5217 T CA 1.517 63.503 62.100 -0.189 0.000 1.135 5217 T CB -0.156 68.580 68.868 -0.219 0.000 0.895 5217 T HN 0.117 nan 8.240 nan 0.000 0.480 5218 V N 1.146 120.786 119.914 -0.457 0.000 2.300 5218 V HA -0.022 4.112 4.120 0.024 0.000 0.241 5218 V C 2.440 178.381 176.094 -0.255 0.000 1.034 5218 V CA 1.860 63.861 62.300 -0.498 0.000 1.021 5218 V CB -0.430 31.025 31.823 -0.614 0.000 0.662 5218 V HN 0.553 nan 8.190 nan 0.000 0.458 5219 E N 0.644 120.722 120.200 -0.203 0.000 2.147 5219 E HA -0.300 4.065 4.350 0.024 0.000 0.199 5219 E C 1.116 177.641 176.600 -0.125 0.000 1.005 5219 E CA 2.082 58.401 56.400 -0.135 0.000 0.810 5219 E CB -0.158 29.474 29.700 -0.113 0.000 0.736 5219 E HN 0.648 nan 8.360 nan 0.000 0.460 5220 N N -0.907 117.707 118.700 -0.144 0.000 2.320 5220 N HA 0.040 4.794 4.740 0.024 0.000 0.237 5220 N C 0.203 175.621 175.510 -0.153 0.000 1.129 5220 N CA 0.310 53.281 53.050 -0.131 0.000 0.854 5220 N CB 0.934 39.343 38.487 -0.130 0.000 1.083 5220 N HN 0.057 nan 8.380 nan 0.000 0.504 5221 T N -1.270 113.179 114.554 -0.175 0.000 3.177 5221 T HA 0.159 4.524 4.350 0.024 0.000 0.262 5221 T C 0.190 174.677 174.700 -0.355 0.000 0.959 5221 T CA -0.217 61.767 62.100 -0.193 0.000 0.996 5221 T CB -0.096 68.675 68.868 -0.162 0.000 1.185 5221 T HN 0.050 nan 8.240 nan 0.000 0.486 5222 L N 1.220 122.251 121.223 -0.320 0.000 2.456 5222 L HA 0.367 4.721 4.340 0.024 0.000 0.291 5222 L C 0.044 176.578 176.870 -0.559 0.000 1.299 5222 L CA -0.064 54.498 54.840 -0.464 0.000 0.822 5222 L CB -0.947 40.997 42.059 -0.191 0.000 1.070 5222 L HN 0.046 nan 8.230 nan 0.000 0.576 5223 F N -2.253 117.748 119.950 0.086 0.000 2.585 5223 F HA 0.451 4.993 4.527 0.026 0.000 0.350 5223 F C 0.817 176.661 175.800 0.074 0.000 1.074 5223 F CA -0.817 57.236 58.000 0.089 0.000 1.032 5223 F CB 0.565 39.639 39.000 0.123 0.000 1.330 5223 F HN 0.538 nan 8.300 nan 0.000 0.495 5224 Q N 1.106 121.105 119.800 0.332 0.000 3.247 5224 Q HA 0.113 4.467 4.340 0.024 0.000 0.326 5224 Q C -1.035 175.081 176.000 0.194 0.000 1.402 5224 Q CA 0.038 55.958 55.803 0.194 0.000 0.994 5224 Q CB -0.484 28.342 28.738 0.147 0.000 1.647 5224 Q HN 0.466 nan 8.270 nan 0.000 0.523 5225 D N 1.835 122.376 120.400 0.235 0.000 3.163 5225 D HA 0.272 4.926 4.640 0.024 0.000 0.284 5225 D C -0.098 176.331 176.300 0.216 0.000 1.368 5225 D CA 0.174 54.344 54.000 0.283 0.000 0.895 5225 D CB 0.872 42.017 40.800 0.575 0.000 1.061 5225 D HN 0.587 nan 8.370 nan 0.000 0.496 5226 G N -0.328 108.553 108.800 0.135 0.000 2.554 5226 G HA2 0.181 4.155 3.960 0.024 0.000 0.306 5226 G HA3 0.181 4.155 3.960 0.024 0.000 0.306 5226 G C 0.136 175.080 174.900 0.073 0.000 1.320 5226 G CA -0.270 44.886 45.100 0.093 0.000 0.800 5226 G HN -0.142 nan 8.290 nan 0.000 0.481 5227 E N -0.220 120.012 120.200 0.054 0.000 2.098 5227 E HA 0.242 4.607 4.350 0.024 0.000 0.196 5227 E C 1.885 178.514 176.600 0.048 0.000 0.955 5227 E CA 0.674 57.102 56.400 0.047 0.000 0.936 5227 E CB -0.901 28.820 29.700 0.035 0.000 1.054 5227 E HN 0.704 nan 8.360 nan 0.000 0.482 5228 G N 0.404 109.231 108.800 0.046 0.000 2.777 5228 G HA2 0.066 4.041 3.960 0.024 0.000 0.286 5228 G HA3 0.066 4.041 3.960 0.024 0.000 0.286 5228 G C 0.633 175.568 174.900 0.058 0.000 1.283 5228 G CA 0.522 45.654 45.100 0.052 0.000 1.060 5228 G HN 0.297 nan 8.290 nan 0.000 0.641 5229 A N -0.675 122.180 122.820 0.058 0.000 2.302 5229 A HA 0.531 4.866 4.320 0.024 0.000 0.219 5229 A C 1.174 178.793 177.584 0.058 0.000 1.243 5229 A CA 0.396 52.464 52.037 0.051 0.000 0.856 5229 A CB -0.046 18.979 19.000 0.041 0.000 0.893 5229 A HN 0.418 nan 8.150 nan 0.000 0.491 5230 S N -1.332 114.420 115.700 0.087 0.000 2.578 5230 S HA 0.442 4.926 4.470 0.024 0.000 0.301 5230 S C 0.916 175.596 174.600 0.132 0.000 1.091 5230 S CA -0.350 57.923 58.200 0.122 0.000 1.032 5230 S CB 1.718 65.054 63.200 0.227 0.000 1.064 5230 S HN 0.341 nan 8.310 nan 0.000 0.508 5231 T N 1.048 115.679 114.554 0.128 0.000 3.037 5231 T HA 0.126 4.490 4.350 0.024 0.000 0.251 5231 T C 0.527 175.328 174.700 0.168 0.000 1.079 5231 T CA 0.049 62.206 62.100 0.095 0.000 1.067 5231 T CB -0.305 68.579 68.868 0.026 0.000 0.948 5231 T HN 0.698 nan 8.240 nan 0.000 0.496 5232 F N 2.778 122.712 119.950 -0.027 0.000 2.619 5232 F HA 0.697 5.239 4.527 0.026 0.000 0.350 5232 F C 1.020 176.814 175.800 -0.010 0.000 1.259 5232 F CA -1.037 56.949 58.000 -0.023 0.000 1.204 5232 F CB 0.224 39.215 39.000 -0.015 0.000 1.556 5232 F HN -0.036 nan 8.300 nan 0.000 0.650 5233 R N 2.904 123.394 120.500 -0.017 0.000 1.769 5233 R HA 0.159 4.514 4.340 0.024 0.000 0.030 5233 R C -0.413 175.879 176.300 -0.014 0.000 0.820 5233 R CA 0.483 56.534 56.100 -0.081 0.000 3.450 5233 R CB -1.075 29.175 30.300 -0.084 0.000 0.830 5233 R HN 0.554 nan 8.270 nan 0.000 0.571 5234 A N 2.855 125.672 122.820 -0.004 0.000 2.624 5234 A HA 0.280 4.614 4.320 0.024 0.000 0.231 5234 A C 0.506 178.049 177.584 -0.068 0.000 1.034 5234 A CA 0.527 52.543 52.037 -0.036 0.000 0.754 5234 A CB -0.853 18.078 19.000 -0.114 0.000 0.953 5234 A HN 0.786 nan 8.150 nan 0.000 0.509 5235 F N 1.980 121.953 119.950 0.039 0.000 2.518 5235 F HA 0.216 4.758 4.527 0.025 0.000 0.329 5235 F C 0.245 176.062 175.800 0.028 0.000 1.009 5235 F CA 0.590 58.608 58.000 0.030 0.000 1.248 5235 F CB -0.410 38.611 39.000 0.034 0.000 0.933 5235 F HN 0.894 nan 8.300 nan 0.000 0.625 5236 N N -0.939 118.011 118.700 0.416 0.000 4.091 5236 N HA 0.143 4.897 4.740 0.024 0.000 0.234 5236 N C -3.093 172.504 175.510 0.145 0.000 1.195 5236 N CA -0.184 53.026 53.050 0.266 0.000 0.653 5236 N CB -0.196 38.354 38.487 0.106 0.000 1.653 5236 N HN 0.701 nan 8.380 nan 0.000 0.354 5237 P HA 0.284 nan 4.420 nan 0.000 0.238 5237 P C -0.553 176.796 177.300 0.082 0.000 1.758 5237 P CA 0.360 63.511 63.100 0.085 0.000 1.142 5237 P CB 0.712 32.445 31.700 0.055 0.000 1.722 5238 T N 0.186 114.807 114.554 0.112 0.000 5.335 5238 T HA -0.110 4.255 4.350 0.024 0.000 0.267 5238 T C 0.955 175.693 174.700 0.062 0.000 2.218 5238 T CA 0.786 62.936 62.100 0.083 0.000 3.802 5238 T CB -0.870 68.025 68.868 0.046 0.000 0.272 5238 T HN 0.293 nan 8.240 nan 0.000 0.886 5239 Q N 1.515 121.359 119.800 0.074 0.000 1.015 5239 Q HA 0.605 4.960 4.340 0.024 0.000 0.859 5239 Q C 1.609 177.548 176.000 -0.101 0.000 0.874 5239 Q CA 1.045 56.851 55.803 0.004 0.000 0.863 5239 Q CB -1.159 27.592 28.738 0.020 0.000 1.657 5239 Q HN 0.861 nan 8.270 nan 0.000 0.185 5240 A N 2.037 124.694 122.820 -0.272 0.000 2.642 5240 A HA -0.091 4.244 4.320 0.024 0.000 0.228 5240 A C -0.075 177.125 177.584 -0.640 0.000 1.045 5240 A CA 0.254 51.887 52.037 -0.673 0.000 0.760 5240 A CB -0.097 18.056 19.000 -1.411 0.000 0.958 5240 A HN 0.252 nan 8.150 nan 0.000 0.505 5241 E N 1.680 121.613 120.200 -0.444 0.000 2.105 5241 E HA 0.270 4.635 4.350 0.024 0.000 0.285 5241 E C 0.288 176.855 176.600 -0.055 0.000 1.055 5241 E CA 0.009 56.300 56.400 -0.182 0.000 0.843 5241 E CB 0.584 30.224 29.700 -0.100 0.000 1.067 5241 E HN 0.788 nan 8.360 nan 0.000 0.398 5242 E N 1.749 122.015 120.200 0.109 0.000 7.375 5242 E HA -0.251 4.114 4.350 0.024 0.000 0.453 5242 E C 0.019 176.860 176.600 0.401 0.000 0.326 5242 E CA 0.779 57.251 56.400 0.120 0.000 0.628 5242 E CB 0.137 29.798 29.700 -0.065 0.000 0.945 5242 E HN 0.634 nan 8.360 nan 0.000 0.319 5243 T N 2.177 116.869 114.554 0.230 0.000 2.978 5243 T HA -0.061 4.303 4.350 0.024 0.000 0.262 5243 T C 0.858 175.537 174.700 -0.034 0.000 1.063 5243 T CA 1.261 63.431 62.100 0.117 0.000 1.140 5243 T CB -0.314 68.386 68.868 -0.279 0.000 0.886 5243 T HN 0.521 nan 8.240 nan 0.000 0.470 5244 Y N 1.080 121.345 120.300 -0.059 0.000 2.369 5244 Y HA 0.758 5.325 4.550 0.028 0.000 0.337 5244 Y C -0.429 175.456 175.900 -0.025 0.000 0.961 5244 Y CA -1.554 56.410 58.100 -0.227 0.000 1.186 5244 Y CB 0.810 39.163 38.460 -0.178 0.000 1.139 5244 Y HN -0.199 nan 8.280 nan 0.000 0.494 5245 S N 6.118 121.914 115.700 0.161 0.000 2.429 5245 S HA 0.094 4.579 4.470 0.024 0.000 0.292 5245 S C 0.935 175.725 174.600 0.317 0.000 1.183 5245 S CA -0.423 58.005 58.200 0.380 0.000 1.088 5245 S CB -0.010 63.577 63.200 0.644 0.000 1.018 5245 S HN 0.875 nan 8.310 nan 0.000 0.511 5246 M N 2.934 122.730 119.600 0.327 0.000 2.800 5246 M HA -0.044 4.450 4.480 0.024 0.000 0.235 5246 M C 0.925 177.379 176.300 0.257 0.000 1.057 5246 M CA 0.477 55.963 55.300 0.310 0.000 1.066 5246 M CB -0.470 32.326 32.600 0.327 0.000 1.558 5246 M HN 0.482 nan 8.290 nan 0.000 0.551 5247 V N -1.756 118.306 119.914 0.246 0.000 2.922 5247 V HA -0.069 4.065 4.120 0.024 0.000 0.242 5247 V C 2.243 178.471 176.094 0.223 0.000 1.094 5247 V CA 1.586 64.016 62.300 0.215 0.000 1.106 5247 V CB -0.673 31.261 31.823 0.186 0.000 0.799 5247 V HN 0.476 nan 8.190 nan 0.000 0.474 5248 T N 0.001 114.704 114.554 0.249 0.000 2.985 5248 T HA 0.070 4.434 4.350 0.024 0.000 0.266 5248 T C 1.896 176.737 174.700 0.234 0.000 1.076 5248 T CA 1.280 63.526 62.100 0.244 0.000 1.135 5248 T CB -0.160 68.889 68.868 0.301 0.000 0.890 5248 T HN 0.451 nan 8.240 nan 0.000 0.480 5249 A N 2.453 125.408 122.820 0.226 0.000 1.903 5249 A HA 0.005 4.340 4.320 0.024 0.000 0.213 5249 A C 2.333 180.149 177.584 0.387 0.000 1.185 5249 A CA 1.032 53.210 52.037 0.235 0.000 0.628 5249 A CB -0.759 18.336 19.000 0.159 0.000 0.830 5249 A HN 0.474 nan 8.150 nan 0.000 0.446 5250 N N 0.848 119.749 118.700 0.334 0.000 2.005 5250 N HA -0.290 4.465 4.740 0.024 0.000 0.199 5250 N C 1.875 177.606 175.510 0.369 0.000 1.054 5250 N CA 2.245 55.506 53.050 0.351 0.000 0.864 5250 N CB -0.539 38.106 38.487 0.263 0.000 1.063 5250 N HN 0.466 nan 8.380 nan 0.000 0.428 5251 R N -0.839 119.828 120.500 0.277 0.000 2.261 5251 R HA -0.159 4.196 4.340 0.024 0.000 0.236 5251 R C 2.213 178.653 176.300 0.233 0.000 1.141 5251 R CA 1.163 57.395 56.100 0.221 0.000 1.001 5251 R CB -0.523 29.874 30.300 0.162 0.000 0.866 5251 R HN 0.387 nan 8.270 nan 0.000 0.468 5252 F N -0.811 119.202 119.950 0.104 0.000 2.128 5252 F HA -0.061 4.476 4.527 0.017 0.000 0.295 5252 F C 1.024 176.746 175.800 -0.130 0.000 1.100 5252 F CA 1.261 59.221 58.000 -0.067 0.000 1.260 5252 F CB -0.296 38.599 39.000 -0.175 0.000 1.009 5252 F HN 0.006 nan 8.300 nan 0.000 0.476 5253 W N 0.465 122.062 121.300 0.496 0.000 2.523 5253 W HA 0.027 4.694 4.660 0.011 0.000 0.278 5253 W C 2.721 179.396 176.519 0.260 0.000 1.236 5253 W CA 1.217 58.810 57.345 0.413 0.000 1.306 5253 W CB -1.136 28.562 29.460 0.397 0.000 1.101 5253 W HN 0.090 nan 8.180 nan 0.000 0.577 5254 S N -0.122 115.818 115.700 0.400 0.000 2.595 5254 S HA -0.093 4.391 4.470 0.024 0.000 0.235 5254 S C 1.251 175.917 174.600 0.110 0.000 0.974 5254 S CA 0.912 59.247 58.200 0.224 0.000 0.942 5254 S CB -0.366 62.944 63.200 0.183 0.000 0.766 5254 S HN 0.482 nan 8.310 nan 0.000 0.536 5255 Q N -0.802 119.041 119.800 0.072 0.000 2.245 5255 Q HA 0.460 4.815 4.340 0.024 0.000 0.250 5255 Q C 1.567 177.524 176.000 -0.072 0.000 0.830 5255 Q CA -0.001 55.786 55.803 -0.026 0.000 0.950 5255 Q CB 0.300 28.991 28.738 -0.077 0.000 1.124 5255 Q HN 0.552 nan 8.270 nan 0.000 0.502 5256 I N -0.554 119.987 120.570 -0.049 0.000 2.962 5256 I HA 0.041 4.226 4.170 0.024 0.000 0.246 5256 I C 1.088 177.297 176.117 0.153 0.000 1.091 5256 I CA 0.400 61.665 61.300 -0.059 0.000 1.469 5256 I CB 0.395 38.236 38.000 -0.264 0.000 1.324 5256 I HN 0.138 nan 8.210 nan 0.000 0.461 5257 F N 1.328 121.407 119.950 0.216 0.000 2.693 5257 F HA 0.335 4.871 4.527 0.015 0.000 0.303 5257 F C 1.205 177.120 175.800 0.192 0.000 1.097 5257 F CA 0.625 58.781 58.000 0.261 0.000 1.330 5257 F CB 0.398 39.670 39.000 0.454 0.000 1.067 5257 F HN 0.341 nan 8.300 nan 0.000 0.565 5258 G N 1.310 110.100 108.800 -0.016 0.000 2.900 5258 G HA2 -0.259 3.715 3.960 0.024 0.000 0.223 5258 G HA3 -0.259 3.715 3.960 0.024 0.000 0.223 5258 G C 0.046 174.935 174.900 -0.019 0.000 1.293 5258 G CA 0.287 45.313 45.100 -0.122 0.000 0.792 5258 G HN 0.218 nan 8.290 nan 0.000 0.527 5259 I N 1.832 122.409 120.570 0.012 0.000 2.447 5259 I HA 0.805 4.990 4.170 0.024 0.000 0.287 5259 I C 0.535 176.876 176.117 0.374 0.000 1.023 5259 I CA -0.731 60.663 61.300 0.156 0.000 1.083 5259 I CB 0.714 38.751 38.000 0.062 0.000 1.245 5259 I HN 0.669 nan 8.210 nan 0.000 0.434 5260 A N 5.181 128.183 122.820 0.303 0.000 2.373 5260 A HA 0.840 5.174 4.320 0.024 0.000 0.291 5260 A C -0.399 177.318 177.584 0.221 0.000 1.171 5260 A CA -0.381 51.858 52.037 0.336 0.000 0.922 5260 A CB 0.831 20.092 19.000 0.435 0.000 1.400 5260 A HN 0.412 nan 8.150 nan 0.000 0.474 5261 F N 0.474 120.495 119.950 0.118 0.000 2.072 5261 F HA 0.495 5.035 4.527 0.021 0.000 0.233 5261 F C 1.191 177.054 175.800 0.105 0.000 0.907 5261 F CA 1.133 59.199 58.000 0.110 0.000 1.162 5261 F CB 0.423 39.485 39.000 0.103 0.000 1.966 5261 F HN 0.908 nan 8.300 nan 0.000 0.579 5262 S N 0.679 116.619 115.700 0.400 0.000 2.858 5262 S HA 0.165 4.650 4.470 0.024 0.000 0.286 5262 S C -1.303 173.488 174.600 0.318 0.000 0.807 5262 S CA -0.966 57.389 58.200 0.258 0.000 0.800 5262 S CB 0.082 63.349 63.200 0.111 0.000 1.005 5262 S HN 1.158 nan 8.310 nan 0.000 0.520 5263 N N 2.061 120.933 118.700 0.286 0.000 2.469 5263 N HA -0.163 4.592 4.740 0.024 0.000 0.283 5263 N C 0.558 176.311 175.510 0.406 0.000 1.326 5263 N CA 1.058 54.287 53.050 0.298 0.000 0.646 5263 N CB -0.543 38.083 38.487 0.232 0.000 0.894 5263 N HN 1.084 nan 8.380 nan 0.000 0.533 5264 K N 1.449 122.038 120.400 0.314 0.000 2.442 5264 K HA -0.028 4.306 4.320 0.024 0.000 0.198 5264 K C 1.535 178.337 176.600 0.335 0.000 1.044 5264 K CA 0.401 56.798 56.287 0.183 0.000 0.948 5264 K CB 0.091 32.729 32.500 0.230 0.000 0.762 5264 K HN 0.236 nan 8.250 nan 0.000 0.472 5265 R N 0.540 121.286 120.500 0.409 0.000 2.159 5265 R HA -0.121 4.234 4.340 0.024 0.000 0.237 5265 R C 1.603 178.223 176.300 0.534 0.000 1.131 5265 R CA 1.328 57.685 56.100 0.429 0.000 0.982 5265 R CB -0.519 29.969 30.300 0.313 0.000 0.868 5265 R HN 0.699 nan 8.270 nan 0.000 0.453 5266 W N 0.116 121.634 121.300 0.363 0.000 2.735 5266 W HA 0.034 4.708 4.660 0.022 0.000 0.264 5266 W C 1.441 178.222 176.519 0.437 0.000 1.233 5266 W CA -0.132 57.489 57.345 0.459 0.000 1.408 5266 W CB -0.602 29.064 29.460 0.344 0.000 1.038 5266 W HN 0.006 nan 8.180 nan 0.000 0.603 5267 L N 1.490 122.998 121.223 0.475 0.000 1.990 5267 L HA -0.301 4.053 4.340 0.024 0.000 0.213 5267 L C 2.547 179.239 176.870 -0.297 0.000 1.072 5267 L CA 2.711 57.449 54.840 -0.170 0.000 0.755 5267 L CB -0.897 40.578 42.059 -0.972 0.000 0.889 5267 L HN -0.063 nan 8.230 nan 0.000 0.432 5268 H N -1.830 117.197 119.070 -0.071 0.000 2.422 5268 H HA -0.214 4.357 4.556 0.025 0.000 0.298 5268 H C 1.676 177.004 175.328 -0.000 0.000 1.098 5268 H CA 2.144 58.150 56.048 -0.070 0.000 1.315 5268 H CB -0.137 29.656 29.762 0.051 0.000 1.382 5268 H HN 0.524 nan 8.280 nan 0.000 0.523 5269 F N 0.086 120.038 119.950 0.004 0.000 2.387 5269 F HA -0.034 4.509 4.527 0.027 0.000 0.294 5269 F C 1.859 177.543 175.800 -0.194 0.000 1.093 5269 F CA 0.238 58.199 58.000 -0.064 0.000 1.420 5269 F CB -0.575 38.423 39.000 -0.003 0.000 1.086 5269 F HN 0.088 nan 8.300 nan 0.000 0.531 5270 F N 0.979 120.369 119.950 -0.934 0.000 2.325 5270 F HA -0.020 4.522 4.527 0.023 0.000 0.299 5270 F C 1.976 177.474 175.800 -0.503 0.000 1.090 5270 F CA 1.297 58.635 58.000 -1.102 0.000 1.392 5270 F CB -0.647 37.668 39.000 -1.142 0.000 1.053 5270 F HN 0.016 nan 8.300 nan 0.000 0.521 5271 M N -0.725 118.649 119.600 -0.377 0.000 2.476 5271 M HA -0.091 4.403 4.480 0.024 0.000 0.262 5271 M C 1.914 178.087 176.300 -0.212 0.000 1.079 5271 M CA 0.690 55.775 55.300 -0.358 0.000 1.104 5271 M CB -0.224 32.202 32.600 -0.289 0.000 1.409 5271 M HN 0.296 nan 8.290 nan 0.000 0.467 5272 L N -0.517 120.630 121.223 -0.126 0.000 2.102 5272 L HA 0.005 4.360 4.340 0.024 0.000 0.202 5272 L C 1.888 178.693 176.870 -0.108 0.000 1.076 5272 L CA 1.641 56.444 54.840 -0.061 0.000 0.761 5272 L CB -0.713 41.375 42.059 0.049 0.000 0.921 5272 L HN 0.080 nan 8.230 nan 0.000 0.444 5273 F N -0.295 119.491 119.950 -0.273 0.000 1.988 5273 F HA -0.243 4.297 4.527 0.022 0.000 0.296 5273 F C 2.395 178.064 175.800 -0.218 0.000 1.178 5273 F CA 2.487 60.336 58.000 -0.252 0.000 1.174 5273 F CB -0.756 38.055 39.000 -0.314 0.000 0.963 5273 F HN -0.102 nan 8.300 nan 0.000 0.489 5274 V N 0.843 120.755 119.914 -0.003 0.000 2.308 5274 V HA -0.444 3.691 4.120 0.024 0.000 0.252 5274 V C -0.393 175.600 176.094 -0.168 0.000 1.066 5274 V CA 3.050 65.280 62.300 -0.116 0.000 1.104 5274 V CB -2.358 29.281 31.823 -0.307 0.000 0.786 5274 V HN 0.311 nan 8.190 nan 0.000 0.473 5275 P HA -0.033 nan 4.420 nan 0.000 0.210 5275 P C 1.826 179.026 177.300 -0.166 0.000 1.192 5275 P CA 1.470 64.474 63.100 -0.159 0.000 0.913 5275 P CB -0.191 31.424 31.700 -0.142 0.000 0.774 5276 V N -0.331 119.467 119.914 -0.193 0.000 2.453 5276 V HA -0.283 3.851 4.120 0.024 0.000 0.252 5276 V C 2.215 178.145 176.094 -0.275 0.000 1.068 5276 V CA 2.522 64.702 62.300 -0.200 0.000 1.070 5276 V CB -1.984 29.692 31.823 -0.244 0.000 0.664 5276 V HN 0.235 nan 8.190 nan 0.000 0.461 5277 T N 0.619 114.898 114.554 -0.459 0.000 2.523 5277 T HA -0.098 4.267 4.350 0.024 0.000 0.253 5277 T C 1.984 176.552 174.700 -0.221 0.000 1.139 5277 T CA 1.780 63.518 62.100 -0.604 0.000 1.230 5277 T CB -1.001 67.300 68.868 -0.946 0.000 0.871 5277 T HN 0.581 nan 8.240 nan 0.000 0.396 5278 G N 1.456 110.157 108.800 -0.165 0.000 2.513 5278 G HA2 -0.233 3.741 3.960 0.024 0.000 0.219 5278 G HA3 -0.233 3.741 3.960 0.024 0.000 0.219 5278 G C 1.553 176.435 174.900 -0.030 0.000 1.160 5278 G CA 0.975 46.026 45.100 -0.081 0.000 0.767 5278 G HN 0.434 nan 8.290 nan 0.000 0.571 5279 L N -1.011 120.195 121.223 -0.028 0.000 1.976 5279 L HA -0.224 4.130 4.340 0.024 0.000 0.223 5279 L C 2.688 179.609 176.870 0.085 0.000 1.081 5279 L CA 2.435 57.281 54.840 0.010 0.000 0.784 5279 L CB -0.376 41.693 42.059 0.017 0.000 0.896 5279 L HN 0.401 nan 8.230 nan 0.000 0.438 5280 W N -0.366 120.876 121.300 -0.096 0.000 2.292 5280 W HA -0.337 4.336 4.660 0.023 0.000 0.304 5280 W C 2.538 179.062 176.519 0.010 0.000 1.228 5280 W CA 1.979 59.294 57.345 -0.051 0.000 1.241 5280 W CB -0.573 28.834 29.460 -0.088 0.000 1.142 5280 W HN 0.257 nan 8.180 nan 0.000 0.520 5281 M N 0.470 120.163 119.600 0.154 0.000 2.163 5281 M HA -0.293 4.202 4.480 0.024 0.000 0.258 5281 M C 2.589 179.026 176.300 0.229 0.000 1.071 5281 M CA 2.722 58.081 55.300 0.099 0.000 1.093 5281 M CB -1.487 31.095 32.600 -0.030 0.000 1.285 5281 M HN 0.064 nan 8.290 nan 0.000 0.420 5282 S N -0.007 115.803 115.700 0.184 0.000 2.359 5282 S HA -0.220 4.264 4.470 0.024 0.000 0.223 5282 S C 2.166 176.971 174.600 0.341 0.000 1.039 5282 S CA 1.824 60.226 58.200 0.336 0.000 1.042 5282 S CB -1.475 61.888 63.200 0.271 0.000 0.915 5282 S HN 0.561 nan 8.310 nan 0.000 0.439 5283 A N 2.118 125.016 122.820 0.130 0.000 1.985 5283 A HA -0.145 4.190 4.320 0.024 0.000 0.223 5283 A C 2.213 179.812 177.584 0.025 0.000 1.189 5283 A CA 1.996 54.026 52.037 -0.011 0.000 0.658 5283 A CB -1.057 17.800 19.000 -0.238 0.000 0.820 5283 A HN 0.680 nan 8.150 nan 0.000 0.464 5284 I N -0.906 119.748 120.570 0.140 0.000 2.133 5284 I HA -0.159 4.026 4.170 0.024 0.000 0.238 5284 I C 2.830 179.025 176.117 0.130 0.000 1.074 5284 I CA 1.044 62.455 61.300 0.185 0.000 1.342 5284 I CB -1.163 37.126 38.000 0.481 0.000 1.053 5284 I HN 0.388 nan 8.210 nan 0.000 0.404 5285 G N 1.199 110.162 108.800 0.272 0.000 2.624 5285 G HA2 -0.289 3.685 3.960 0.024 0.000 0.221 5285 G HA3 -0.289 3.685 3.960 0.024 0.000 0.221 5285 G C 1.704 176.668 174.900 0.108 0.000 1.169 5285 G CA 1.534 46.774 45.100 0.234 0.000 0.771 5285 G HN 0.263 nan 8.290 nan 0.000 0.598 5286 V N 1.207 121.136 119.914 0.025 0.000 2.392 5286 V HA -0.228 3.906 4.120 0.024 0.000 0.249 5286 V C 3.196 179.214 176.094 -0.128 0.000 1.059 5286 V CA 1.938 64.082 62.300 -0.261 0.000 1.051 5286 V CB -0.549 31.146 31.823 -0.214 0.000 0.658 5286 V HN 0.505 nan 8.190 nan 0.000 0.455 5287 V N -0.269 119.618 119.914 -0.044 0.000 2.626 5287 V HA -0.023 4.112 4.120 0.024 0.000 0.252 5287 V C 2.312 178.389 176.094 -0.028 0.000 1.067 5287 V CA 2.127 64.419 62.300 -0.013 0.000 1.081 5287 V CB -1.376 30.442 31.823 -0.009 0.000 0.686 5287 V HN 0.405 nan 8.190 nan 0.000 0.468 5288 G N 0.491 109.251 108.800 -0.066 0.000 2.408 5288 G HA2 -0.112 3.863 3.960 0.024 0.000 0.217 5288 G HA3 -0.112 3.863 3.960 0.024 0.000 0.217 5288 G C 1.495 176.352 174.900 -0.072 0.000 1.150 5288 G CA 1.068 46.122 45.100 -0.076 0.000 0.776 5288 G HN 0.431 nan 8.290 nan 0.000 0.542 5289 L N 1.130 122.273 121.223 -0.134 0.000 2.046 5289 L HA -0.063 4.292 4.340 0.024 0.000 0.208 5289 L C 3.358 180.275 176.870 0.078 0.000 1.077 5289 L CA 1.811 56.525 54.840 -0.210 0.000 0.747 5289 L CB -1.451 40.308 42.059 -0.500 0.000 0.896 5289 L HN 0.349 nan 8.230 nan 0.000 0.432 5290 A N -0.481 122.463 122.820 0.206 0.000 1.986 5290 A HA -0.193 4.142 4.320 0.024 0.000 0.220 5290 A C 1.899 179.470 177.584 -0.021 0.000 1.171 5290 A CA 1.436 53.545 52.037 0.121 0.000 0.640 5290 A CB -0.436 18.608 19.000 0.073 0.000 0.811 5290 A HN 0.343 nan 8.150 nan 0.000 0.451 5291 L N -0.274 120.944 121.223 -0.008 0.000 2.653 5291 L HA 0.180 4.535 4.340 0.024 0.000 0.231 5291 L C 0.654 177.521 176.870 -0.005 0.000 1.153 5291 L CA 0.218 55.045 54.840 -0.023 0.000 0.933 5291 L CB -0.925 41.123 42.059 -0.019 0.000 1.175 5291 L HN 0.411 nan 8.230 nan 0.000 0.473 5292 N N -0.799 117.912 118.700 0.019 0.000 2.758 5292 N HA -0.242 4.512 4.740 0.024 0.000 0.245 5292 N C 0.647 176.195 175.510 0.064 0.000 1.059 5292 N CA 0.640 53.737 53.050 0.078 0.000 0.900 5292 N CB -0.751 37.774 38.487 0.064 0.000 1.145 5292 N HN 0.192 nan 8.380 nan 0.000 0.590 5293 L N 2.764 124.002 121.223 0.026 0.000 2.451 5293 L HA 0.045 4.399 4.340 0.024 0.000 0.272 5293 L C 1.055 177.942 176.870 0.030 0.000 1.258 5293 L CA 0.707 55.565 54.840 0.030 0.000 1.132 5293 L CB -0.717 41.346 42.059 0.006 0.000 1.361 5293 L HN 0.202 nan 8.230 nan 0.000 0.438 5294 R N 1.277 121.826 120.500 0.083 0.000 2.960 5294 R HA 0.434 4.789 4.340 0.024 0.000 0.249 5294 R C -0.719 175.692 176.300 0.185 0.000 1.192 5294 R CA -0.836 55.334 56.100 0.116 0.000 1.035 5294 R CB 1.071 31.445 30.300 0.123 0.000 1.234 5294 R HN 0.264 nan 8.270 nan 0.000 0.493 5295 S N 0.515 116.352 115.700 0.229 0.000 2.466 5295 S HA 0.217 4.701 4.470 0.024 0.000 0.313 5295 S C -0.765 174.057 174.600 0.369 0.000 1.078 5295 S CA -0.609 57.760 58.200 0.281 0.000 1.115 5295 S CB -0.146 63.209 63.200 0.258 0.000 1.006 5295 S HN 0.573 nan 8.310 nan 0.000 0.487 5296 Y N 4.092 124.528 120.300 0.226 0.000 2.569 5296 Y HA 0.257 4.821 4.550 0.023 0.000 0.278 5296 Y C 0.322 176.377 175.900 0.258 0.000 1.130 5296 Y CA 0.224 58.452 58.100 0.214 0.000 1.280 5296 Y CB -0.298 38.269 38.460 0.178 0.000 1.379 5296 Y HN 0.631 nan 8.280 nan 0.000 0.508 5297 D N -0.620 119.995 120.400 0.359 0.000 2.385 5297 D HA 0.278 4.933 4.640 0.024 0.000 0.254 5297 D C -1.577 175.032 176.300 0.515 0.000 1.053 5297 D CA -0.371 53.811 54.000 0.302 0.000 0.992 5297 D CB 0.940 41.804 40.800 0.108 0.000 1.145 5297 D HN -0.109 nan 8.370 nan 0.000 0.523 5298 F N 0.389 120.310 119.950 -0.049 0.000 2.660 5298 F HA 0.357 4.898 4.527 0.024 0.000 0.352 5298 F C 1.217 176.941 175.800 -0.127 0.000 1.257 5298 F CA -1.495 56.382 58.000 -0.205 0.000 1.200 5298 F CB -0.030 38.630 39.000 -0.565 0.000 1.473 5298 F HN 0.386 nan 8.300 nan 0.000 0.561 5299 I N 0.314 120.924 120.570 0.066 0.000 2.130 5299 I HA -0.488 3.697 4.170 0.024 0.000 0.241 5299 I C 2.616 178.724 176.117 -0.014 0.000 1.023 5299 I CA 2.179 63.490 61.300 0.019 0.000 1.293 5299 I CB -0.466 37.529 38.000 -0.008 0.000 1.001 5299 I HN 0.535 nan 8.210 nan 0.000 0.407 5300 S N -0.054 115.619 115.700 -0.046 0.000 2.421 5300 S HA -0.299 4.185 4.470 0.024 0.000 0.239 5300 S C 1.899 176.453 174.600 -0.077 0.000 1.054 5300 S CA 1.970 60.134 58.200 -0.060 0.000 1.035 5300 S CB -0.183 62.973 63.200 -0.073 0.000 0.840 5300 S HN 0.486 nan 8.310 nan 0.000 0.475 5301 Q N -0.382 119.384 119.800 -0.056 0.000 2.200 5301 Q HA 0.085 4.440 4.340 0.024 0.000 0.197 5301 Q C 2.247 178.183 176.000 -0.106 0.000 0.953 5301 Q CA 0.678 56.413 55.803 -0.113 0.000 0.851 5301 Q CB -0.486 28.251 28.738 -0.002 0.000 0.938 5301 Q HN 0.492 nan 8.270 nan 0.000 0.488 5302 E N 1.406 121.622 120.200 0.027 0.000 2.086 5302 E HA -0.192 4.172 4.350 0.024 0.000 0.200 5302 E C 2.085 178.643 176.600 -0.070 0.000 1.012 5302 E CA 1.312 57.713 56.400 0.002 0.000 0.812 5302 E CB -0.453 29.261 29.700 0.023 0.000 0.743 5302 E HN 0.449 nan 8.360 nan 0.000 0.453 5303 I N -0.607 119.918 120.570 -0.076 0.000 2.315 5303 I HA -0.094 4.091 4.170 0.024 0.000 0.248 5303 I C 2.218 178.260 176.117 -0.125 0.000 1.117 5303 I CA 1.227 62.479 61.300 -0.080 0.000 1.404 5303 I CB -0.632 37.333 38.000 -0.058 0.000 1.071 5303 I HN -0.112 nan 8.210 nan 0.000 0.419 5304 R N 1.403 121.774 120.500 -0.215 0.000 2.276 5304 R HA 0.205 4.559 4.340 0.024 0.000 0.203 5304 R C 1.844 177.877 176.300 -0.445 0.000 1.017 5304 R CA 1.145 57.050 56.100 -0.326 0.000 1.010 5304 R CB -0.406 29.605 30.300 -0.481 0.000 0.900 5304 R HN 0.501 nan 8.270 nan 0.000 0.469 5305 A N -0.025 122.580 122.820 -0.359 0.000 1.887 5305 A HA 0.328 4.663 4.320 0.024 0.000 0.210 5305 A C 2.259 179.796 177.584 -0.078 0.000 1.221 5305 A CA 0.672 52.583 52.037 -0.210 0.000 0.635 5305 A CB -1.062 17.856 19.000 -0.137 0.000 0.881 5305 A HN 0.339 nan 8.150 nan 0.000 0.456 5306 A N 0.882 123.656 122.820 -0.076 0.000 1.883 5306 A HA -0.311 4.024 4.320 0.024 0.000 0.226 5306 A C 1.473 179.040 177.584 -0.028 0.000 1.512 5306 A CA 2.200 54.209 52.037 -0.046 0.000 0.738 5306 A CB -1.106 17.867 19.000 -0.046 0.000 0.848 5306 A HN 0.622 nan 8.150 nan 0.000 0.477 5307 E N -0.301 119.882 120.200 -0.028 0.000 2.335 5307 E HA 0.224 4.589 4.350 0.024 0.000 0.191 5307 E C -0.778 175.830 176.600 0.012 0.000 1.150 5307 E CA 0.457 56.852 56.400 -0.009 0.000 1.001 5307 E CB -0.108 29.585 29.700 -0.011 0.000 1.127 5307 E HN 0.525 nan 8.360 nan 0.000 0.462 5308 D N -0.650 119.766 120.400 0.027 0.000 2.584 5308 D HA 0.132 4.786 4.640 0.024 0.000 0.238 5308 D C -2.342 174.011 176.300 0.089 0.000 1.302 5308 D CA -1.723 52.320 54.000 0.070 0.000 0.884 5308 D CB 0.916 41.792 40.800 0.127 0.000 1.456 5308 D HN -0.224 nan 8.370 nan 0.000 0.528 5309 P HA -0.058 nan 4.420 nan 0.000 0.234 5309 P C 0.245 177.574 177.300 0.047 0.000 1.162 5309 P CA 0.883 64.007 63.100 0.040 0.000 0.759 5309 P CB 0.266 31.978 31.700 0.019 0.000 0.813 5310 E N -2.581 117.661 120.200 0.070 0.000 2.511 5310 E HA 0.080 4.444 4.350 0.024 0.000 0.209 5310 E C -0.006 176.629 176.600 0.059 0.000 0.986 5310 E CA -0.319 56.108 56.400 0.045 0.000 0.974 5310 E CB 0.131 29.848 29.700 0.027 0.000 1.030 5310 E HN 0.198 nan 8.360 nan 0.000 0.490 5311 F N 2.872 122.817 119.950 -0.008 0.000 2.413 5311 F HA 0.249 4.791 4.527 0.024 0.000 0.359 5311 F C -0.202 175.595 175.800 -0.005 0.000 1.122 5311 F CA -0.307 57.694 58.000 0.001 0.000 1.160 5311 F CB 0.493 39.503 39.000 0.016 0.000 1.146 5311 F HN -0.266 nan 8.300 nan 0.000 0.514 5312 E N 3.915 124.044 120.200 -0.118 0.000 2.278 5312 E HA 0.359 4.724 4.350 0.024 0.000 0.272 5312 E C -1.256 175.273 176.600 -0.118 0.000 0.890 5312 E CA -0.583 55.816 56.400 -0.000 0.000 0.770 5312 E CB 1.830 31.499 29.700 -0.052 0.000 1.212 5312 E HN 0.651 nan 8.360 nan 0.000 0.415 5313 T N -0.496 114.094 114.554 0.061 0.000 2.916 5313 T HA 0.357 4.721 4.350 0.024 0.000 0.292 5313 T C 0.774 175.522 174.700 0.080 0.000 1.055 5313 T CA -0.709 61.433 62.100 0.070 0.000 1.009 5313 T CB 0.549 69.595 68.868 0.296 0.000 1.118 5313 T HN 0.289 nan 8.240 nan 0.000 0.497 5314 F N -0.382 119.615 119.950 0.077 0.000 2.236 5314 F HA -0.058 4.486 4.527 0.029 0.000 0.302 5314 F C 2.240 178.080 175.800 0.067 0.000 1.073 5314 F CA 1.480 59.510 58.000 0.050 0.000 1.336 5314 F CB -0.771 38.253 39.000 0.041 0.000 1.040 5314 F HN 0.800 nan 8.300 nan 0.000 0.507 5315 Y N 1.429 121.832 120.300 0.172 0.000 2.069 5315 Y HA -0.429 4.135 4.550 0.023 0.000 0.278 5315 Y C 2.838 178.761 175.900 0.038 0.000 1.175 5315 Y CA 2.333 60.463 58.100 0.049 0.000 1.134 5315 Y CB -0.623 37.849 38.460 0.020 0.000 0.965 5315 Y HN 0.188 nan 8.280 nan 0.000 0.498 5316 T N -1.589 112.842 114.554 -0.205 0.000 2.668 5316 T HA -0.194 4.170 4.350 0.024 0.000 0.262 5316 T C 1.670 176.266 174.700 -0.174 0.000 1.045 5316 T CA 1.741 63.663 62.100 -0.296 0.000 1.152 5316 T CB -0.566 68.265 68.868 -0.062 0.000 0.864 5316 T HN 0.407 nan 8.240 nan 0.000 0.419 5317 K N 1.586 121.944 120.400 -0.070 0.000 2.015 5317 K HA -0.190 4.145 4.320 0.024 0.000 0.220 5317 K C 2.547 179.129 176.600 -0.029 0.000 1.055 5317 K CA 1.948 58.210 56.287 -0.042 0.000 0.951 5317 K CB -0.536 31.953 32.500 -0.017 0.000 0.725 5317 K HN 0.347 nan 8.250 nan 0.000 0.449 5318 N N 1.286 119.994 118.700 0.013 0.000 2.036 5318 N HA -0.247 4.507 4.740 0.024 0.000 0.199 5318 N C 1.864 177.360 175.510 -0.023 0.000 1.036 5318 N CA 1.384 54.445 53.050 0.017 0.000 0.870 5318 N CB -0.626 37.889 38.487 0.048 0.000 1.055 5318 N HN 0.160 nan 8.380 nan 0.000 0.436 5319 L N 1.021 122.184 121.223 -0.100 0.000 2.103 5319 L HA -0.216 4.139 4.340 0.024 0.000 0.215 5319 L C 2.276 179.115 176.870 -0.052 0.000 1.080 5319 L CA 1.084 55.862 54.840 -0.104 0.000 0.764 5319 L CB -0.209 41.631 42.059 -0.365 0.000 0.890 5319 L HN 0.204 nan 8.230 nan 0.000 0.435 5320 L N -1.103 120.078 121.223 -0.071 0.000 1.973 5320 L HA -0.261 4.093 4.340 0.024 0.000 0.208 5320 L C 2.501 179.350 176.870 -0.034 0.000 1.073 5320 L CA 1.239 56.049 54.840 -0.050 0.000 0.746 5320 L CB -0.600 41.428 42.059 -0.051 0.000 0.891 5320 L HN 0.262 nan 8.230 nan 0.000 0.433 5321 L N 0.002 121.205 121.223 -0.033 0.000 2.082 5321 L HA -0.367 3.988 4.340 0.024 0.000 0.223 5321 L C 2.250 179.093 176.870 -0.046 0.000 1.086 5321 L CA 2.002 56.819 54.840 -0.038 0.000 0.793 5321 L CB -1.187 40.855 42.059 -0.027 0.000 0.896 5321 L HN 0.424 nan 8.230 nan 0.000 0.441 5322 N N -0.035 118.645 118.700 -0.033 0.000 2.037 5322 N HA -0.225 4.529 4.740 0.024 0.000 0.196 5322 N C 1.730 177.184 175.510 -0.094 0.000 1.034 5322 N CA 1.723 54.736 53.050 -0.060 0.000 0.861 5322 N CB -0.248 38.256 38.487 0.027 0.000 1.039 5322 N HN 0.384 nan 8.380 nan 0.000 0.427 5323 E N -0.431 119.743 120.200 -0.044 0.000 2.110 5323 E HA -0.062 4.303 4.350 0.024 0.000 0.193 5323 E C 2.101 178.686 176.600 -0.026 0.000 0.988 5323 E CA 1.239 57.608 56.400 -0.051 0.000 0.804 5323 E CB -0.493 29.185 29.700 -0.036 0.000 0.745 5323 E HN 0.469 nan 8.360 nan 0.000 0.458 5324 G N 1.071 109.875 108.800 0.006 0.000 2.453 5324 G HA2 -0.226 3.748 3.960 0.024 0.000 0.215 5324 G HA3 -0.226 3.748 3.960 0.024 0.000 0.215 5324 G C 1.197 176.145 174.900 0.079 0.000 1.201 5324 G CA 0.629 45.786 45.100 0.096 0.000 0.784 5324 G HN 0.224 nan 8.290 nan 0.000 0.545 5325 I N 0.506 121.041 120.570 -0.058 0.000 3.443 5325 I HA 0.134 4.318 4.170 0.024 0.000 0.312 5325 I C 1.925 177.874 176.117 -0.281 0.000 1.155 5325 I CA 0.469 61.694 61.300 -0.125 0.000 1.210 5325 I CB -0.130 37.786 38.000 -0.141 0.000 0.999 5325 I HN 0.181 nan 8.210 nan 0.000 0.537 5326 R N -0.025 120.342 120.500 -0.223 0.000 3.001 5326 R HA 0.213 4.567 4.340 0.024 0.000 0.160 5326 R C 2.098 178.299 176.300 -0.165 0.000 0.830 5326 R CA 0.802 56.660 56.100 -0.402 0.000 1.363 5326 R CB -0.190 29.815 30.300 -0.492 0.000 1.669 5326 R HN 0.221 nan 8.270 nan 0.000 0.553 5327 A N 0.195 122.990 122.820 -0.040 0.000 1.897 5327 A HA -0.084 4.251 4.320 0.024 0.000 0.215 5327 A C 1.349 178.951 177.584 0.030 0.000 1.181 5327 A CA 0.897 52.932 52.037 -0.004 0.000 0.620 5327 A CB -0.650 18.251 19.000 -0.165 0.000 0.821 5327 A HN 0.441 nan 8.150 nan 0.000 0.443 5328 W N -0.717 120.567 121.300 -0.027 0.000 2.409 5328 W HA 0.078 4.753 4.660 0.026 0.000 0.299 5328 W C 2.378 178.865 176.519 -0.053 0.000 1.203 5328 W CA 1.186 58.522 57.345 -0.016 0.000 1.298 5328 W CB -0.415 29.021 29.460 -0.039 0.000 1.127 5328 W HN 0.315 nan 8.180 nan 0.000 0.528 5329 M N 0.559 120.227 119.600 0.113 0.000 2.494 5329 M HA -0.123 4.372 4.480 0.024 0.000 0.270 5329 M C 2.470 178.724 176.300 -0.076 0.000 1.092 5329 M CA 2.573 57.874 55.300 0.002 0.000 1.085 5329 M CB -1.058 31.487 32.600 -0.091 0.000 1.211 5329 M HN 0.005 nan 8.290 nan 0.000 0.481 5330 A N 0.532 123.266 122.820 -0.144 0.000 1.698 5330 A HA -0.342 3.993 4.320 0.024 0.000 0.315 5330 A C -0.232 177.202 177.584 -0.250 0.000 3.574 5330 A CA 3.240 55.141 52.037 -0.226 0.000 0.952 5330 A CB -3.111 15.580 19.000 -0.516 0.000 0.759 5330 A HN 0.571 nan 8.150 nan 0.000 0.516 5331 P HA -0.247 nan 4.420 nan 0.000 0.218 5331 P C 1.754 179.001 177.300 -0.088 0.000 1.165 5331 P CA 2.243 65.187 63.100 -0.260 0.000 0.922 5331 P CB -0.156 31.256 31.700 -0.479 0.000 0.794 5332 Q N -1.617 118.129 119.800 -0.089 0.000 2.389 5332 Q HA -0.119 4.236 4.340 0.024 0.000 0.204 5332 Q C 1.672 177.659 176.000 -0.021 0.000 0.944 5332 Q CA 0.730 56.504 55.803 -0.049 0.000 0.908 5332 Q CB -0.248 28.475 28.738 -0.024 0.000 1.002 5332 Q HN 0.197 nan 8.270 nan 0.000 0.493 5333 D N -0.195 120.203 120.400 -0.003 0.000 2.327 5333 D HA -0.036 4.619 4.640 0.024 0.000 0.205 5333 D C -0.013 176.298 176.300 0.019 0.000 0.989 5333 D CA 0.557 54.584 54.000 0.045 0.000 0.873 5333 D CB 0.528 41.380 40.800 0.087 0.000 0.955 5333 D HN 0.291 nan 8.370 nan 0.000 0.515 5334 Q N 0.863 120.659 119.800 -0.005 0.000 2.719 5334 Q HA 0.188 4.542 4.340 0.024 0.000 0.376 5334 Q C -1.966 173.920 176.000 -0.191 0.000 0.856 5334 Q CA -1.289 54.461 55.803 -0.089 0.000 1.038 5334 Q CB 1.784 30.536 28.738 0.024 0.000 1.418 5334 Q HN 0.131 nan 8.270 nan 0.000 0.395 5335 P HA -0.302 nan 4.420 nan 0.000 0.218 5335 P C 0.931 178.138 177.300 -0.156 0.000 1.154 5335 P CA 1.897 64.944 63.100 -0.088 0.000 0.872 5335 P CB -0.084 31.582 31.700 -0.056 0.000 0.790 5336 H N -0.138 118.819 119.070 -0.188 0.000 2.426 5336 H HA -0.065 4.506 4.556 0.024 0.000 0.298 5336 H C 1.341 176.527 175.328 -0.236 0.000 1.107 5336 H CA 1.111 57.054 56.048 -0.175 0.000 1.298 5336 H CB -0.958 28.713 29.762 -0.152 0.000 1.377 5336 H HN 0.224 nan 8.280 nan 0.000 0.519 5337 E N 1.146 120.822 120.200 -0.873 0.000 2.354 5337 E HA 0.086 4.451 4.350 0.024 0.000 0.252 5337 E C -0.735 175.323 176.600 -0.903 0.000 1.330 5337 E CA -0.542 55.336 56.400 -0.869 0.000 1.658 5337 E CB -0.426 28.619 29.700 -1.093 0.000 1.460 5337 E HN 0.381 nan 8.360 nan 0.000 0.435 5338 N N 1.155 119.540 118.700 -0.523 0.000 2.220 5338 N HA -0.219 4.535 4.740 0.024 0.000 0.294 5338 N C -1.232 174.023 175.510 -0.425 0.000 1.243 5338 N CA 0.753 53.575 53.050 -0.380 0.000 0.936 5338 N CB -0.310 38.035 38.487 -0.237 0.000 1.228 5338 N HN 0.213 nan 8.380 nan 0.000 0.527 5339 F N 0.569 120.338 119.950 -0.303 0.000 2.410 5339 F HA 0.240 4.782 4.527 0.025 0.000 0.348 5339 F C 0.694 176.301 175.800 -0.322 0.000 1.106 5339 F CA -0.955 56.799 58.000 -0.409 0.000 1.163 5339 F CB 0.864 39.388 39.000 -0.794 0.000 1.129 5339 F HN 0.044 nan 8.300 nan 0.000 0.516 5340 V N 3.319 123.280 119.914 0.078 0.000 2.250 5340 V HA 0.318 4.452 4.120 0.024 0.000 0.268 5340 V C -0.758 175.535 176.094 0.332 0.000 1.043 5340 V CA -0.719 61.645 62.300 0.108 0.000 0.814 5340 V CB -0.064 31.798 31.823 0.064 0.000 1.072 5340 V HN 0.397 nan 8.190 nan 0.000 0.451 5341 F N 3.934 123.854 119.950 -0.051 0.000 2.329 5341 F HA 0.578 5.119 4.527 0.024 0.000 0.362 5341 F C -1.722 173.988 175.800 -0.150 0.000 1.113 5341 F CA -3.340 54.585 58.000 -0.124 0.000 1.212 5341 F CB 0.371 39.248 39.000 -0.205 0.000 1.509 5341 F HN 0.358 nan 8.300 nan 0.000 0.546 5342 P HA -0.018 nan 4.420 nan 0.000 0.265 5342 P C 1.269 178.509 177.300 -0.099 0.000 1.187 5342 P CA 0.121 63.198 63.100 -0.039 0.000 0.766 5342 P CB 0.870 32.545 31.700 -0.042 0.000 0.820 5343 E N 2.008 122.154 120.200 -0.090 0.000 2.114 5343 E HA -0.296 4.068 4.350 0.024 0.000 0.199 5343 E C 1.449 177.976 176.600 -0.121 0.000 1.008 5343 E CA 1.717 58.048 56.400 -0.116 0.000 0.810 5343 E CB 0.192 29.855 29.700 -0.062 0.000 0.739 5343 E HN 0.665 nan 8.360 nan 0.000 0.456 5344 E N 0.118 120.263 120.200 -0.091 0.000 2.000 5344 E HA -0.213 4.151 4.350 0.024 0.000 0.199 5344 E C 2.116 178.640 176.600 -0.127 0.000 1.011 5344 E CA 1.953 58.301 56.400 -0.086 0.000 0.836 5344 E CB -0.773 28.887 29.700 -0.066 0.000 0.778 5344 E HN 0.144 nan 8.360 nan 0.000 0.462 5345 V N 1.434 121.256 119.914 -0.154 0.000 2.352 5345 V HA -0.261 3.874 4.120 0.024 0.000 0.263 5345 V C 1.614 177.547 176.094 -0.268 0.000 1.103 5345 V CA 1.331 63.501 62.300 -0.216 0.000 1.099 5345 V CB -1.248 30.406 31.823 -0.283 0.000 0.685 5345 V HN 0.309 nan 8.190 nan 0.000 0.455 5346 L N 3.179 124.227 121.223 -0.293 0.000 2.700 5346 L HA 0.170 4.524 4.340 0.024 0.000 0.272 5346 L C -2.136 174.639 176.870 -0.159 0.000 1.176 5346 L CA -1.549 53.074 54.840 -0.362 0.000 0.961 5346 L CB -0.391 41.368 42.059 -0.500 0.000 1.249 5346 L HN 0.129 nan 8.230 nan 0.000 0.487 5347 P HA 0.420 nan 4.420 nan 0.000 0.280 5347 P C -1.441 175.995 177.300 0.228 0.000 1.244 5347 P CA -0.306 62.812 63.100 0.030 0.000 0.784 5347 P CB 0.723 32.418 31.700 -0.008 0.000 0.913 5348 R N 0.940 121.536 120.500 0.161 0.000 2.907 5348 R HA 0.503 4.857 4.340 0.024 0.000 0.246 5348 R C 0.006 176.349 176.300 0.072 0.000 1.082 5348 R CA -0.973 55.232 56.100 0.175 0.000 1.003 5348 R CB -0.162 30.341 30.300 0.338 0.000 1.261 5348 R HN 0.497 nan 8.270 nan 0.000 0.474 5349 G N 1.544 110.359 108.800 0.026 0.000 2.492 5349 G HA2 -0.175 3.799 3.960 0.024 0.000 0.353 5349 G HA3 -0.175 3.799 3.960 0.024 0.000 0.353 5349 G C -0.412 174.491 174.900 0.006 0.000 1.297 5349 G CA -0.001 45.100 45.100 0.002 0.000 1.192 5349 G HN 0.718 nan 8.290 nan 0.000 0.677 5350 N N -0.997 117.700 118.700 -0.005 0.000 2.422 5350 N HA 0.440 5.195 4.740 0.024 0.000 0.266 5350 N C 0.544 176.050 175.510 -0.006 0.000 1.007 5350 N CA 0.878 53.926 53.050 -0.004 0.000 0.941 5350 N CB 0.975 39.457 38.487 -0.009 0.000 1.115 5350 N HN 1.309 nan 8.380 nan 0.000 0.492 5351 A N 2.072 124.891 122.820 -0.001 0.000 3.410 5351 A HA -0.167 4.167 4.320 0.024 0.000 0.253 5351 A C -0.543 177.039 177.584 -0.005 0.000 1.178 5351 A CA 0.874 52.909 52.037 -0.003 0.000 1.334 5351 A CB -2.194 16.801 19.000 -0.008 0.000 1.097 5351 A HN 0.507 nan 8.150 nan 0.000 0.921 5352 L N 0.000 121.221 121.223 -0.004 0.000 2.949 5352 L HA 0.000 4.354 4.340 0.024 0.000 0.249 5352 L CA 0.000 54.830 54.840 -0.016 0.000 0.813 5352 L CB 0.000 42.027 42.059 -0.053 0.000 0.961 5352 L HN 0.000 nan 8.230 nan 0.000 0.502