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 2wau_1_B DATA FIRST_RESID 2349 DATA SEQUENCE DDTWTDLVKN SSDINKGVLL PPRRKNLFLK IDESDICKYK RDPKLFKDFI DATA SEQUENCE YSSAISEVER LKKVYGEAKT KVVHAMKYSF ADIGSIIKGD DMMENNSSDK DATA SEQUENCE IGKILGDGVG QNEKRKKWWD MNKYHIWESM LSGYKHAYGN ISENDRKMLD DATA SEQUENCE IPNNDDEHQF LRWFQEWTEN FcTKRNELYE NMVTAcXXXX XXXXXXXXXX DATA SEQUENCE XEcTEAcKNY SNFILIKKKE YQSLNSQYDM NYKETKAEKK ESPEYFKDKc DATA SEQUENCE NGEcScLSEY FKDETRWKNP YETLDDTEVK NNcMCK 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 2349 D HA 0.000 nan 4.640 nan 0.000 0.175 2349 D C 0.000 176.329 176.300 0.049 0.000 2.045 2349 D CA 0.000 54.013 54.000 0.021 0.000 0.868 2349 D CB 0.000 40.813 40.800 0.022 0.000 0.688 2350 D N -0.187 120.230 120.400 0.027 0.000 2.377 2350 D HA 0.363 5.003 4.640 -0.000 0.000 0.245 2350 D C 0.828 177.175 176.300 0.079 0.000 1.196 2350 D CA -0.090 53.928 54.000 0.029 0.000 0.962 2350 D CB 0.461 41.250 40.800 -0.018 0.000 1.127 2350 D HN 0.076 nan 8.370 nan 0.000 0.471 2351 T N -4.235 110.364 114.554 0.076 0.000 2.948 2351 T HA 0.479 4.829 4.350 -0.000 0.000 0.285 2351 T C -0.778 174.008 174.700 0.143 0.000 1.019 2351 T CA -1.055 61.149 62.100 0.173 0.000 1.013 2351 T CB 0.598 69.550 68.868 0.139 0.000 1.117 2351 T HN 0.399 nan 8.240 nan 0.000 0.533 2352 W N 2.604 123.926 121.300 0.037 0.000 2.367 2352 W HA 0.433 5.092 4.660 -0.001 0.000 0.329 2352 W C 0.976 177.480 176.519 -0.024 0.000 1.066 2352 W CA -0.510 56.843 57.345 0.013 0.000 1.435 2352 W CB 0.150 29.660 29.460 0.084 0.000 1.296 2352 W HN 0.986 nan 8.180 nan 0.000 0.401 2353 T N -1.338 113.251 114.554 0.058 0.000 2.816 2353 T HA 0.171 4.521 4.350 -0.000 0.000 0.282 2353 T C 0.449 175.171 174.700 0.037 0.000 0.993 2353 T CA -0.580 61.538 62.100 0.029 0.000 0.994 2353 T CB 1.485 70.340 68.868 -0.021 0.000 1.025 2353 T HN 0.443 nan 8.240 nan 0.000 0.529 2354 D N 0.352 120.768 120.400 0.026 0.000 2.615 2354 D HA 0.087 4.727 4.640 -0.000 0.000 0.236 2354 D C 0.187 176.505 176.300 0.030 0.000 1.233 2354 D CA -0.455 53.564 54.000 0.031 0.000 0.829 2354 D CB -0.654 40.153 40.800 0.013 0.000 1.024 2354 D HN 0.486 nan 8.370 nan 0.000 0.490 2355 L N 1.454 122.690 121.223 0.022 0.000 2.376 2355 L HA 0.180 4.520 4.340 -0.000 0.000 0.250 2355 L C 0.038 176.941 176.870 0.056 0.000 1.335 2355 L CA -0.464 54.391 54.840 0.025 0.000 1.214 2355 L CB -0.085 41.978 42.059 0.006 0.000 1.395 2355 L HN 0.057 nan 8.230 nan 0.000 0.424 2356 V N -1.883 118.072 119.914 0.069 0.000 2.960 2356 V HA 0.398 4.518 4.120 -0.000 0.000 0.315 2356 V C 0.958 177.088 176.094 0.059 0.000 1.087 2356 V CA -1.104 61.256 62.300 0.100 0.000 0.982 2356 V CB 2.054 33.961 31.823 0.140 0.000 1.039 2356 V HN 0.350 nan 8.190 nan 0.000 0.437 2357 K N 0.526 120.961 120.400 0.057 0.000 2.152 2357 K HA -0.020 4.300 4.320 -0.000 0.000 0.206 2357 K C 0.349 176.957 176.600 0.013 0.000 1.048 2357 K CA 1.757 58.061 56.287 0.029 0.000 0.933 2357 K CB -0.061 32.452 32.500 0.022 0.000 0.721 2357 K HN 0.708 nan 8.250 nan 0.000 0.447 2358 N N 0.161 118.867 118.700 0.009 0.000 2.679 2358 N HA 0.129 4.869 4.740 -0.000 0.000 0.302 2358 N C -0.257 175.246 175.510 -0.012 0.000 1.941 2358 N CA -0.011 53.035 53.050 -0.007 0.000 0.875 2358 N CB 1.444 39.920 38.487 -0.019 0.000 1.278 2358 N HN -0.079 nan 8.380 nan 0.000 0.490 2359 S N 0.007 115.705 115.700 -0.004 0.000 2.365 2359 S HA -0.136 4.334 4.470 -0.000 0.000 0.225 2359 S C 1.914 176.500 174.600 -0.025 0.000 1.039 2359 S CA 1.471 59.666 58.200 -0.009 0.000 1.033 2359 S CB 0.126 63.324 63.200 -0.003 0.000 0.887 2359 S HN 0.382 nan 8.310 nan 0.000 0.447 2360 S N 1.421 117.107 115.700 -0.024 0.000 2.406 2360 S HA -0.037 4.432 4.470 -0.000 0.000 0.228 2360 S C 1.066 175.643 174.600 -0.037 0.000 1.020 2360 S CA 1.247 59.430 58.200 -0.030 0.000 0.965 2360 S CB -0.279 62.907 63.200 -0.024 0.000 0.798 2360 S HN 0.715 nan 8.310 nan 0.000 0.488 2361 D N 0.698 121.075 120.400 -0.038 0.000 3.132 2361 D HA 0.165 4.805 4.640 -0.000 0.000 0.233 2361 D C 1.666 177.932 176.300 -0.057 0.000 1.216 2361 D CA -0.226 53.747 54.000 -0.044 0.000 1.227 2361 D CB -1.101 39.676 40.800 -0.039 0.000 0.930 2361 D HN 0.035 nan 8.370 nan 0.000 0.202 2362 I N 0.131 120.666 120.570 -0.058 0.000 2.208 2362 I HA -0.105 4.065 4.170 -0.000 0.000 0.245 2362 I C 0.325 176.392 176.117 -0.084 0.000 1.097 2362 I CA 1.325 62.580 61.300 -0.074 0.000 1.363 2362 I CB -1.198 36.759 38.000 -0.072 0.000 1.051 2362 I HN 0.145 nan 8.210 nan 0.000 0.413 2363 N N 1.803 120.464 118.700 -0.064 0.000 3.250 2363 N HA 0.155 4.895 4.740 -0.000 0.000 0.307 2363 N C -0.205 175.267 175.510 -0.062 0.000 1.355 2363 N CA 0.130 53.142 53.050 -0.063 0.000 1.192 2363 N CB -0.203 38.272 38.487 -0.020 0.000 1.478 2363 N HN 0.584 nan 8.380 nan 0.000 0.543 2364 K N -0.494 119.853 120.400 -0.088 0.000 2.234 2364 K HA 0.423 4.743 4.320 -0.000 0.000 0.277 2364 K C 0.835 177.362 176.600 -0.121 0.000 1.038 2364 K CA -0.061 56.174 56.287 -0.087 0.000 0.888 2364 K CB 0.501 32.952 32.500 -0.082 0.000 1.091 2364 K HN 0.332 nan 8.250 nan 0.000 0.467 2365 G N 2.248 110.981 108.800 -0.112 0.000 2.284 2365 G HA2 -0.254 3.705 3.960 -0.000 0.000 0.216 2365 G HA3 -0.254 3.705 3.960 -0.000 0.000 0.216 2365 G C -0.045 174.786 174.900 -0.115 0.000 1.009 2365 G CA -0.071 44.938 45.100 -0.151 0.000 0.625 2365 G HN 0.588 nan 8.290 nan 0.000 0.501 2366 V N 1.725 121.609 119.914 -0.051 0.000 2.763 2366 V HA 0.597 4.717 4.120 -0.000 0.000 0.306 2366 V C 0.216 176.405 176.094 0.157 0.000 1.059 2366 V CA 0.355 62.735 62.300 0.133 0.000 1.138 2366 V CB 1.291 33.215 31.823 0.168 0.000 0.940 2366 V HN 0.590 nan 8.190 nan 0.000 0.489 2367 L N 5.405 126.784 121.223 0.260 0.000 2.388 2367 L HA 0.587 4.927 4.340 -0.000 0.000 0.264 2367 L C -0.821 176.194 176.870 0.242 0.000 0.998 2367 L CA -0.499 54.477 54.840 0.226 0.000 0.817 2367 L CB 1.875 44.038 42.059 0.174 0.000 1.338 2367 L HN 0.701 nan 8.230 nan 0.000 0.414 2368 L N 6.375 127.601 121.223 0.005 0.000 2.260 2368 L HA 0.556 4.896 4.340 -0.000 0.000 0.289 2368 L C -2.213 174.140 176.870 -0.861 0.000 1.057 2368 L CA -1.658 52.923 54.840 -0.431 0.000 0.811 2368 L CB 0.732 42.626 42.059 -0.275 0.000 1.184 2368 L HN 0.370 nan 8.230 nan 0.000 0.429 2369 P HA 0.132 nan 4.420 nan 0.000 0.266 2369 P C -2.287 174.347 177.300 -1.110 0.000 1.215 2369 P CA -1.274 60.655 63.100 -1.952 0.000 0.763 2369 P CB 0.368 31.231 31.700 -1.395 0.000 0.806 2370 P HA -0.202 nan 4.420 nan 0.000 0.218 2370 P C 1.715 178.823 177.300 -0.321 0.000 1.152 2370 P CA 1.580 64.382 63.100 -0.496 0.000 0.857 2370 P CB -0.105 31.377 31.700 -0.363 0.000 0.787 2371 R N 0.002 120.318 120.500 -0.307 0.000 2.083 2371 R HA -0.197 4.143 4.340 -0.000 0.000 0.237 2371 R C 2.369 178.587 176.300 -0.136 0.000 1.137 2371 R CA 1.840 57.857 56.100 -0.138 0.000 0.951 2371 R CB -0.399 29.867 30.300 -0.056 0.000 0.851 2371 R HN -0.046 nan 8.270 nan 0.000 0.434 2372 R N 1.096 121.443 120.500 -0.256 0.000 2.096 2372 R HA -0.103 4.237 4.340 -0.000 0.000 0.235 2372 R C 2.107 178.327 176.300 -0.134 0.000 1.127 2372 R CA 1.928 57.917 56.100 -0.185 0.000 0.968 2372 R CB -0.250 29.848 30.300 -0.337 0.000 0.861 2372 R HN 0.171 nan 8.270 nan 0.000 0.440 2373 K N -0.184 120.099 120.400 -0.195 0.000 2.097 2373 K HA -0.065 4.255 4.320 -0.000 0.000 0.205 2373 K C 1.397 177.975 176.600 -0.036 0.000 1.050 2373 K CA 1.909 58.127 56.287 -0.115 0.000 0.938 2373 K CB -0.061 32.348 32.500 -0.152 0.000 0.718 2373 K HN 0.397 nan 8.250 nan 0.000 0.442 2374 N N 0.449 119.125 118.700 -0.040 0.000 2.331 2374 N HA -0.086 4.654 4.740 -0.000 0.000 0.180 2374 N C 0.007 175.562 175.510 0.075 0.000 1.019 2374 N CA -0.209 52.849 53.050 0.014 0.000 0.881 2374 N CB -0.005 38.478 38.487 -0.006 0.000 0.972 2374 N HN 0.047 nan 8.380 nan 0.000 0.435 2375 L N 1.620 122.878 121.223 0.059 0.000 2.660 2375 L HA 0.021 4.361 4.340 -0.000 0.000 0.272 2375 L C -0.742 176.209 176.870 0.136 0.000 1.194 2375 L CA 0.448 55.342 54.840 0.091 0.000 0.945 2375 L CB -0.544 41.550 42.059 0.059 0.000 1.212 2375 L HN 0.022 nan 8.230 nan 0.000 0.490 2376 F N 6.982 126.930 119.950 -0.003 0.000 2.313 2376 F HA 0.467 4.994 4.527 -0.000 0.000 0.369 2376 F C -0.475 175.315 175.800 -0.017 0.000 1.109 2376 F CA -0.518 57.484 58.000 0.003 0.000 1.132 2376 F CB 0.574 39.582 39.000 0.013 0.000 1.291 2376 F HN 0.467 nan 8.300 nan 0.000 0.496 2377 L N 7.414 128.384 121.223 -0.423 0.000 2.502 2377 L HA 0.344 4.684 4.340 -0.000 0.000 0.249 2377 L C -0.903 175.762 176.870 -0.341 0.000 1.446 2377 L CA -0.329 54.281 54.840 -0.383 0.000 0.887 2377 L CB 0.245 42.174 42.059 -0.216 0.000 1.126 2377 L HN 0.462 nan 8.230 nan 0.000 0.509 2378 K N 2.122 122.177 120.400 -0.575 0.000 2.185 2378 K HA 0.649 4.969 4.320 -0.000 0.000 0.269 2378 K C -1.131 175.439 176.600 -0.051 0.000 0.987 2378 K CA -0.474 55.616 56.287 -0.327 0.000 0.865 2378 K CB 1.538 33.760 32.500 -0.464 0.000 1.090 2378 K HN 0.172 nan 8.250 nan 0.000 0.450 2379 I N 2.422 122.969 120.570 -0.039 0.000 2.465 2379 I HA 0.197 4.366 4.170 -0.000 0.000 0.291 2379 I C -0.422 175.688 176.117 -0.011 0.000 1.014 2379 I CA -1.284 59.981 61.300 -0.058 0.000 1.093 2379 I CB 1.527 39.464 38.000 -0.106 0.000 1.267 2379 I HN 0.704 nan 8.210 nan 0.000 0.431 2380 D N 1.947 122.355 120.400 0.013 0.000 2.313 2380 D HA 0.261 4.901 4.640 -0.000 0.000 0.247 2380 D C 1.161 177.475 176.300 0.023 0.000 1.094 2380 D CA -0.213 53.802 54.000 0.025 0.000 0.925 2380 D CB 1.102 41.921 40.800 0.032 0.000 1.188 2380 D HN 0.712 nan 8.370 nan 0.000 0.430 2381 E N 0.307 120.518 120.200 0.018 0.000 2.110 2381 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 2381 E C 1.470 178.078 176.600 0.014 0.000 0.988 2381 E CA 1.514 57.923 56.400 0.014 0.000 0.804 2381 E CB -0.021 29.685 29.700 0.010 0.000 0.745 2381 E HN 0.367 nan 8.360 nan 0.000 0.458 2382 S N -0.648 115.059 115.700 0.012 0.000 2.522 2382 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 2382 S C 0.717 175.318 174.600 0.003 0.000 0.986 2382 S CA 0.745 58.948 58.200 0.005 0.000 0.929 2382 S CB -0.070 63.131 63.200 0.001 0.000 0.769 2382 S HN 0.144 nan 8.310 nan 0.000 0.529 2383 D N 1.213 121.625 120.400 0.019 0.000 2.325 2383 D HA 0.245 4.885 4.640 -0.000 0.000 0.225 2383 D C 1.377 177.735 176.300 0.096 0.000 1.096 2383 D CA 0.004 54.019 54.000 0.025 0.000 0.844 2383 D CB -0.182 40.653 40.800 0.059 0.000 0.925 2383 D HN 0.312 nan 8.370 nan 0.000 0.513 2384 I N -0.401 120.208 120.570 0.065 0.000 2.142 2384 I HA -0.237 3.933 4.170 -0.000 0.000 0.240 2384 I C 2.448 178.601 176.117 0.061 0.000 1.078 2384 I CA 0.803 62.145 61.300 0.071 0.000 1.343 2384 I CB -1.047 36.967 38.000 0.023 0.000 1.046 2384 I HN 0.372 nan 8.210 nan 0.000 0.405 2385 C N -0.130 119.180 119.300 0.017 0.000 2.456 2385 C HA -0.043 4.416 4.460 -0.000 0.000 0.279 2385 C C 2.687 177.663 174.990 -0.023 0.000 1.427 2385 C CA 0.171 59.188 59.018 -0.001 0.000 1.778 2385 C CB -1.418 26.315 27.740 -0.011 0.000 1.842 2385 C HN 0.546 nan 8.230 nan 0.000 0.531 2386 K N 0.480 120.840 120.400 -0.067 0.000 1.985 2386 K HA -0.147 4.173 4.320 -0.000 0.000 0.210 2386 K C 1.654 178.146 176.600 -0.179 0.000 1.047 2386 K CA 1.849 58.022 56.287 -0.190 0.000 0.932 2386 K CB -0.326 31.945 32.500 -0.383 0.000 0.716 2386 K HN 0.558 nan 8.250 nan 0.000 0.439 2387 Y N 0.890 121.197 120.300 0.011 0.000 2.373 2387 Y HA -0.067 4.483 4.550 -0.000 0.000 0.293 2387 Y C 2.268 178.174 175.900 0.011 0.000 1.129 2387 Y CA 0.661 58.803 58.100 0.071 0.000 1.226 2387 Y CB 0.067 38.636 38.460 0.181 0.000 1.000 2387 Y HN -0.058 nan 8.280 nan 0.000 0.549 2388 K N 0.658 121.121 120.400 0.105 0.000 2.097 2388 K HA -0.148 4.172 4.320 -0.000 0.000 0.206 2388 K C 1.936 178.549 176.600 0.022 0.000 1.049 2388 K CA 1.147 57.446 56.287 0.019 0.000 0.933 2388 K CB 0.032 32.531 32.500 -0.001 0.000 0.717 2388 K HN 0.202 nan 8.250 nan 0.000 0.442 2389 R N 0.982 121.496 120.500 0.024 0.000 2.051 2389 R HA -0.023 4.316 4.340 -0.000 0.000 0.225 2389 R C 0.343 176.669 176.300 0.042 0.000 1.155 2389 R CA 1.008 57.121 56.100 0.021 0.000 0.945 2389 R CB -0.492 29.811 30.300 0.004 0.000 0.840 2389 R HN 0.064 nan 8.270 nan 0.000 0.432 2390 D N 0.229 120.659 120.400 0.051 0.000 2.336 2390 D HA 0.104 4.744 4.640 -0.000 0.000 0.249 2390 D C -1.869 174.519 176.300 0.146 0.000 1.213 2390 D CA -2.009 52.037 54.000 0.077 0.000 0.870 2390 D CB 1.367 42.198 40.800 0.053 0.000 1.076 2390 D HN -0.072 nan 8.370 nan 0.000 0.483 2391 P HA -0.083 nan 4.420 nan 0.000 0.216 2391 P C 1.071 178.546 177.300 0.291 0.000 1.153 2391 P CA 0.914 64.146 63.100 0.219 0.000 0.844 2391 P CB 0.298 32.103 31.700 0.175 0.000 0.787 2392 K N -0.742 119.781 120.400 0.205 0.000 2.147 2392 K HA -0.101 4.219 4.320 -0.000 0.000 0.205 2392 K C 1.968 178.705 176.600 0.227 0.000 1.049 2392 K CA 0.841 57.237 56.287 0.182 0.000 0.936 2392 K CB -0.848 31.709 32.500 0.094 0.000 0.722 2392 K HN 0.074 nan 8.250 nan 0.000 0.446 2393 L N 0.619 121.985 121.223 0.238 0.000 2.042 2393 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 2393 L C 2.059 179.218 176.870 0.482 0.000 1.076 2393 L CA 1.543 56.543 54.840 0.266 0.000 0.749 2393 L CB -0.516 41.632 42.059 0.148 0.000 0.893 2393 L HN 0.063 nan 8.230 nan 0.000 0.432 2394 F N 0.024 120.234 119.950 0.432 0.000 2.186 2394 F HA -0.187 4.340 4.527 -0.000 0.000 0.299 2394 F C 2.253 178.326 175.800 0.454 0.000 1.090 2394 F CA 1.447 59.707 58.000 0.433 0.000 1.307 2394 F CB -0.207 38.937 39.000 0.238 0.000 1.019 2394 F HN 0.004 nan 8.300 nan 0.000 0.489 2395 K N 0.369 121.119 120.400 0.584 0.000 2.001 2395 K HA -0.213 4.107 4.320 -0.000 0.000 0.214 2395 K C 1.677 178.535 176.600 0.430 0.000 1.050 2395 K CA 1.935 58.579 56.287 0.595 0.000 0.934 2395 K CB -1.100 31.599 32.500 0.333 0.000 0.718 2395 K HN 0.261 nan 8.250 nan 0.000 0.443 2396 D N 0.462 121.001 120.400 0.233 0.000 2.172 2396 D HA -0.185 4.455 4.640 -0.000 0.000 0.196 2396 D C 1.725 178.180 176.300 0.259 0.000 0.999 2396 D CA 0.937 55.047 54.000 0.183 0.000 0.856 2396 D CB -0.425 40.465 40.800 0.150 0.000 0.934 2396 D HN 0.145 nan 8.370 nan 0.000 0.453 2397 F N 1.104 121.120 119.950 0.110 0.000 2.146 2397 F HA -0.153 4.374 4.527 -0.000 0.000 0.298 2397 F C 2.434 178.200 175.800 -0.058 0.000 1.096 2397 F CA 0.844 58.857 58.000 0.020 0.000 1.275 2397 F CB -0.261 38.715 39.000 -0.041 0.000 1.008 2397 F HN -0.156 nan 8.300 nan 0.000 0.480 2398 I N -0.968 119.478 120.570 -0.207 0.000 2.286 2398 I HA -0.240 3.930 4.170 -0.000 0.000 0.245 2398 I C 2.226 178.310 176.117 -0.055 0.000 1.104 2398 I CA 1.021 62.175 61.300 -0.244 0.000 1.397 2398 I CB -1.788 36.154 38.000 -0.098 0.000 1.072 2398 I HN 0.247 nan 8.210 nan 0.000 0.417 2399 Y N 0.570 120.872 120.300 0.004 0.000 2.181 2399 Y HA -0.221 4.329 4.550 -0.000 0.000 0.288 2399 Y C 2.977 178.866 175.900 -0.018 0.000 1.146 2399 Y CA 1.921 60.042 58.100 0.035 0.000 1.164 2399 Y CB -0.907 37.590 38.460 0.061 0.000 0.982 2399 Y HN 0.219 nan 8.280 nan 0.000 0.515 2400 S N -1.015 114.753 115.700 0.114 0.000 2.383 2400 S HA -0.162 4.308 4.470 -0.000 0.000 0.227 2400 S C 2.271 176.845 174.600 -0.044 0.000 1.026 2400 S CA 1.454 59.675 58.200 0.035 0.000 0.981 2400 S CB -0.406 62.828 63.200 0.058 0.000 0.818 2400 S HN 0.424 nan 8.310 nan 0.000 0.472 2401 S N 1.326 116.916 115.700 -0.182 0.000 2.368 2401 S HA 0.066 4.536 4.470 -0.000 0.000 0.224 2401 S C 2.198 176.757 174.600 -0.068 0.000 1.029 2401 S CA 0.964 59.043 58.200 -0.201 0.000 0.988 2401 S CB -0.565 62.361 63.200 -0.457 0.000 0.838 2401 S HN 0.679 nan 8.310 nan 0.000 0.462 2402 A N 1.112 123.907 122.820 -0.043 0.000 1.972 2402 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 2402 A C 2.308 179.910 177.584 0.030 0.000 1.169 2402 A CA 1.210 53.264 52.037 0.029 0.000 0.635 2402 A CB -0.755 18.273 19.000 0.046 0.000 0.810 2402 A HN 0.398 nan 8.150 nan 0.000 0.446 2403 I N -0.758 119.823 120.570 0.017 0.000 2.233 2403 I HA -0.144 4.026 4.170 -0.000 0.000 0.243 2403 I C 2.852 178.983 176.117 0.025 0.000 1.093 2403 I CA 1.613 62.920 61.300 0.012 0.000 1.380 2403 I CB -1.412 36.592 38.000 0.006 0.000 1.067 2403 I HN 0.510 nan 8.210 nan 0.000 0.413 2404 S N -0.281 115.436 115.700 0.029 0.000 2.383 2404 S HA -0.269 4.201 4.470 -0.000 0.000 0.229 2404 S C 2.003 176.641 174.600 0.064 0.000 1.030 2404 S CA 1.773 60.003 58.200 0.049 0.000 1.002 2404 S CB -0.398 62.842 63.200 0.067 0.000 0.829 2404 S HN 0.699 nan 8.310 nan 0.000 0.467 2405 E N 1.494 121.733 120.200 0.066 0.000 2.077 2405 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 2405 E C 1.806 178.459 176.600 0.089 0.000 0.989 2405 E CA 1.168 57.619 56.400 0.085 0.000 0.800 2405 E CB -0.411 29.346 29.700 0.094 0.000 0.746 2405 E HN 0.290 nan 8.360 nan 0.000 0.452 2406 V N 1.122 121.080 119.914 0.072 0.000 2.407 2406 V HA -0.220 3.899 4.120 -0.000 0.000 0.248 2406 V C 2.179 178.318 176.094 0.075 0.000 1.055 2406 V CA 2.189 64.529 62.300 0.067 0.000 1.049 2406 V CB -0.599 31.244 31.823 0.034 0.000 0.662 2406 V HN 0.304 nan 8.190 nan 0.000 0.455 2407 E N -0.167 120.077 120.200 0.073 0.000 2.153 2407 E HA -0.227 4.123 4.350 -0.000 0.000 0.194 2407 E C 2.449 179.097 176.600 0.080 0.000 0.988 2407 E CA 0.960 57.409 56.400 0.081 0.000 0.811 2407 E CB -0.155 29.591 29.700 0.075 0.000 0.746 2407 E HN 0.449 nan 8.360 nan 0.000 0.466 2408 R N 0.843 121.389 120.500 0.077 0.000 2.066 2408 R HA -0.078 4.262 4.340 -0.000 0.000 0.232 2408 R C 2.282 178.640 176.300 0.095 0.000 1.131 2408 R CA 0.817 56.961 56.100 0.072 0.000 0.955 2408 R CB -0.138 30.203 30.300 0.070 0.000 0.851 2408 R HN 0.168 nan 8.270 nan 0.000 0.432 2409 L N 0.935 122.232 121.223 0.124 0.000 2.362 2409 L HA -0.129 4.211 4.340 -0.000 0.000 0.219 2409 L C 2.640 179.624 176.870 0.191 0.000 1.134 2409 L CA 0.833 55.782 54.840 0.182 0.000 0.807 2409 L CB -0.308 41.861 42.059 0.184 0.000 0.927 2409 L HN 0.122 nan 8.230 nan 0.000 0.447 2410 K N 0.899 121.388 120.400 0.147 0.000 2.076 2410 K HA -0.170 4.149 4.320 -0.000 0.000 0.204 2410 K C 2.103 178.794 176.600 0.153 0.000 1.051 2410 K CA 1.108 57.505 56.287 0.182 0.000 0.949 2410 K CB 0.133 32.736 32.500 0.171 0.000 0.726 2410 K HN 0.002 nan 8.250 nan 0.000 0.443 2411 K N 0.626 121.085 120.400 0.100 0.000 2.283 2411 K HA -0.042 4.278 4.320 -0.000 0.000 0.202 2411 K C 1.689 178.310 176.600 0.035 0.000 1.048 2411 K CA 0.925 57.246 56.287 0.058 0.000 0.948 2411 K CB 0.087 32.609 32.500 0.036 0.000 0.742 2411 K HN -0.057 nan 8.250 nan 0.000 0.458 2412 V N -0.897 119.044 119.914 0.045 0.000 2.490 2412 V HA -0.015 4.105 4.120 -0.000 0.000 0.238 2412 V C 0.815 176.853 176.094 -0.094 0.000 1.056 2412 V CA 0.787 63.058 62.300 -0.049 0.000 1.075 2412 V CB -0.370 31.415 31.823 -0.063 0.000 0.746 2412 V HN 0.088 nan 8.190 nan 0.000 0.479 2413 Y N 1.647 121.997 120.300 0.083 0.000 2.801 2413 Y HA 0.554 5.103 4.550 -0.000 0.000 0.340 2413 Y C 1.339 177.327 175.900 0.146 0.000 1.088 2413 Y CA -0.577 57.583 58.100 0.101 0.000 1.444 2413 Y CB -0.315 38.208 38.460 0.104 0.000 1.251 2413 Y HN 0.240 nan 8.280 nan 0.000 0.522 2414 G N 0.009 108.946 108.800 0.228 0.000 2.432 2414 G HA2 0.172 4.132 3.960 -0.000 0.000 0.239 2414 G HA3 0.172 4.132 3.960 -0.000 0.000 0.239 2414 G C 0.341 175.351 174.900 0.183 0.000 1.291 2414 G CA 0.052 45.286 45.100 0.223 0.000 0.863 2414 G HN 0.719 nan 8.290 nan 0.000 0.560 2415 E N -1.413 118.876 120.200 0.148 0.000 3.799 2415 E HA -0.240 4.110 4.350 -0.000 0.000 0.320 2415 E C 0.693 177.387 176.600 0.156 0.000 0.760 2415 E CA 0.858 57.286 56.400 0.046 0.000 1.153 2415 E CB -1.700 28.006 29.700 0.010 0.000 1.589 2415 E HN 0.944 nan 8.360 nan 0.000 0.448 2416 A N 0.366 123.353 122.820 0.279 0.000 2.312 2416 A HA 0.601 4.921 4.320 -0.000 0.000 0.326 2416 A C 0.664 178.445 177.584 0.329 0.000 1.172 2416 A CA 0.018 52.209 52.037 0.256 0.000 0.821 2416 A CB 1.460 20.611 19.000 0.252 0.000 1.166 2416 A HN 0.101 nan 8.150 nan 0.000 0.493 2417 K N 0.101 120.651 120.400 0.251 0.000 2.306 2417 K HA 0.007 4.327 4.320 -0.000 0.000 0.200 2417 K C 1.576 178.265 176.600 0.148 0.000 1.083 2417 K CA 1.368 57.816 56.287 0.267 0.000 0.959 2417 K CB 0.338 32.994 32.500 0.259 0.000 0.994 2417 K HN 0.781 nan 8.250 nan 0.000 0.492 2418 T N -1.494 113.123 114.554 0.106 0.000 3.100 2418 T HA 0.165 4.515 4.350 -0.000 0.000 0.253 2418 T C 1.408 176.137 174.700 0.049 0.000 1.118 2418 T CA 0.303 62.449 62.100 0.077 0.000 1.058 2418 T CB 0.170 69.081 68.868 0.073 0.000 0.953 2418 T HN 0.051 nan 8.240 nan 0.000 0.515 2419 K N 0.363 120.754 120.400 -0.015 0.000 2.202 2419 K HA 0.255 4.575 4.320 -0.000 0.000 0.201 2419 K C 2.218 178.634 176.600 -0.306 0.000 1.051 2419 K CA 0.398 56.560 56.287 -0.208 0.000 0.977 2419 K CB -0.101 32.223 32.500 -0.294 0.000 0.792 2419 K HN 0.147 nan 8.250 nan 0.000 0.469 2420 V N 1.811 121.654 119.914 -0.119 0.000 2.548 2420 V HA -0.151 3.969 4.120 -0.000 0.000 0.249 2420 V C 2.043 178.136 176.094 -0.001 0.000 1.055 2420 V CA 1.565 63.841 62.300 -0.041 0.000 1.065 2420 V CB 0.100 31.933 31.823 0.017 0.000 0.681 2420 V HN 0.219 nan 8.190 nan 0.000 0.462 2421 V N -2.586 117.326 119.914 -0.002 0.000 2.788 2421 V HA -0.122 3.998 4.120 -0.000 0.000 0.251 2421 V C 2.275 178.394 176.094 0.042 0.000 1.068 2421 V CA 2.093 64.384 62.300 -0.015 0.000 1.090 2421 V CB -1.241 30.519 31.823 -0.105 0.000 0.710 2421 V HN 0.678 nan 8.190 nan 0.000 0.467 2422 H N 0.980 120.039 119.070 -0.019 0.000 2.395 2422 H HA 0.226 4.782 4.556 -0.000 0.000 0.299 2422 H C 2.322 177.722 175.328 0.121 0.000 1.070 2422 H CA 1.777 57.833 56.048 0.014 0.000 1.356 2422 H CB -0.004 29.770 29.762 0.021 0.000 1.401 2422 H HN 0.521 nan 8.280 nan 0.000 0.524 2423 A N 0.009 122.963 122.820 0.222 0.000 1.968 2423 A HA -0.100 4.219 4.320 -0.000 0.000 0.217 2423 A C 2.300 180.039 177.584 0.260 0.000 1.169 2423 A CA 1.033 53.225 52.037 0.259 0.000 0.638 2423 A CB -0.463 18.614 19.000 0.129 0.000 0.812 2423 A HN 0.398 nan 8.150 nan 0.000 0.446 2424 M N -0.383 119.341 119.600 0.206 0.000 2.065 2424 M HA -0.225 4.255 4.480 -0.000 0.000 0.259 2424 M C 2.140 178.667 176.300 0.379 0.000 1.069 2424 M CA 2.022 57.485 55.300 0.272 0.000 1.110 2424 M CB -0.360 32.377 32.600 0.229 0.000 1.328 2424 M HN 0.345 nan 8.290 nan 0.000 0.405 2425 K N -0.732 119.799 120.400 0.219 0.000 2.026 2425 K HA -0.185 4.134 4.320 -0.000 0.000 0.208 2425 K C 1.784 178.462 176.600 0.130 0.000 1.048 2425 K CA 1.586 57.888 56.287 0.025 0.000 0.929 2425 K CB -0.360 31.957 32.500 -0.305 0.000 0.713 2425 K HN 0.234 nan 8.250 nan 0.000 0.439 2426 Y N 0.815 121.222 120.300 0.179 0.000 2.224 2426 Y HA -0.179 4.371 4.550 0.000 0.000 0.289 2426 Y C 2.772 178.809 175.900 0.229 0.000 1.146 2426 Y CA 1.119 59.347 58.100 0.214 0.000 1.182 2426 Y CB -0.356 38.238 38.460 0.225 0.000 0.983 2426 Y HN 0.021 nan 8.280 nan 0.000 0.524 2427 S N -0.924 115.007 115.700 0.386 0.000 2.470 2427 S HA -0.104 4.366 4.470 -0.000 0.000 0.225 2427 S C 1.868 176.648 174.600 0.300 0.000 1.006 2427 S CA 0.295 58.672 58.200 0.295 0.000 0.934 2427 S CB -0.543 62.805 63.200 0.247 0.000 0.778 2427 S HN 0.436 nan 8.310 nan 0.000 0.517 2428 F N 2.747 122.839 119.950 0.237 0.000 2.051 2428 F HA 0.032 4.559 4.527 -0.000 0.000 0.296 2428 F C 2.250 178.185 175.800 0.226 0.000 1.122 2428 F CA 1.490 59.656 58.000 0.278 0.000 1.201 2428 F CB -1.015 38.164 39.000 0.300 0.000 0.978 2428 F HN 0.201 nan 8.300 nan 0.000 0.472 2429 A N -0.144 122.691 122.820 0.025 0.000 1.978 2429 A HA -0.196 4.124 4.320 -0.000 0.000 0.220 2429 A C 1.941 179.421 177.584 -0.175 0.000 1.170 2429 A CA 1.971 53.926 52.037 -0.137 0.000 0.636 2429 A CB -1.064 17.980 19.000 0.072 0.000 0.810 2429 A HN 0.498 nan 8.150 nan 0.000 0.448 2430 D N -0.394 120.013 120.400 0.011 0.000 2.117 2430 D HA -0.106 4.534 4.640 -0.000 0.000 0.197 2430 D C 2.039 178.278 176.300 -0.101 0.000 0.987 2430 D CA 1.385 55.412 54.000 0.045 0.000 0.829 2430 D CB -0.349 40.570 40.800 0.199 0.000 0.961 2430 D HN 0.283 nan 8.370 nan 0.000 0.460 2431 I N 0.329 120.816 120.570 -0.138 0.000 2.286 2431 I HA -0.103 4.067 4.170 -0.000 0.000 0.248 2431 I C 2.661 178.489 176.117 -0.482 0.000 1.115 2431 I CA 1.107 62.298 61.300 -0.181 0.000 1.392 2431 I CB -1.509 36.473 38.000 -0.029 0.000 1.065 2431 I HN 0.206 nan 8.210 nan 0.000 0.418 2432 G N -0.002 108.178 108.800 -1.033 0.000 2.476 2432 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.218 2432 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.218 2432 G C 1.847 176.149 174.900 -0.996 0.000 1.164 2432 G CA 1.214 45.120 45.100 -1.991 0.000 0.768 2432 G HN 0.531 nan 8.290 nan 0.000 0.560 2433 S N -0.077 115.282 115.700 -0.568 0.000 2.447 2433 S HA -0.091 4.378 4.470 -0.000 0.000 0.233 2433 S C 2.465 176.933 174.600 -0.220 0.000 1.006 2433 S CA 1.088 59.093 58.200 -0.324 0.000 0.957 2433 S CB -0.186 62.889 63.200 -0.210 0.000 0.773 2433 S HN 0.339 nan 8.310 nan 0.000 0.507 2434 I N 0.928 121.375 120.570 -0.204 0.000 2.233 2434 I HA -0.095 4.075 4.170 -0.000 0.000 0.243 2434 I C 2.467 178.522 176.117 -0.102 0.000 1.093 2434 I CA 0.633 61.864 61.300 -0.116 0.000 1.380 2434 I CB -1.697 36.251 38.000 -0.086 0.000 1.067 2434 I HN 0.405 nan 8.210 nan 0.000 0.413 2435 I N 0.141 120.639 120.570 -0.121 0.000 2.179 2435 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 2435 I C 2.541 178.633 176.117 -0.042 0.000 1.088 2435 I CA 1.389 62.671 61.300 -0.031 0.000 1.357 2435 I CB -1.685 36.400 38.000 0.141 0.000 1.051 2435 I HN 0.388 nan 8.210 nan 0.000 0.409 2436 K N 0.157 120.488 120.400 -0.115 0.000 2.097 2436 K HA 0.041 4.361 4.320 -0.000 0.000 0.206 2436 K C 1.860 178.419 176.600 -0.068 0.000 1.049 2436 K CA 1.354 57.592 56.287 -0.083 0.000 0.933 2436 K CB -0.341 32.063 32.500 -0.161 0.000 0.717 2436 K HN 0.671 nan 8.250 nan 0.000 0.442 2437 G N 1.370 110.117 108.800 -0.088 0.000 2.211 2437 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.201 2437 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.201 2437 G C 0.394 175.255 174.900 -0.065 0.000 0.997 2437 G CA 0.344 45.406 45.100 -0.064 0.000 0.652 2437 G HN 0.497 nan 8.290 nan 0.000 0.500 2438 D N 0.859 121.207 120.400 -0.087 0.000 2.340 2438 D HA 0.090 4.729 4.640 -0.000 0.000 0.220 2438 D C 0.382 176.623 176.300 -0.098 0.000 1.039 2438 D CA 0.317 54.268 54.000 -0.082 0.000 0.866 2438 D CB 0.159 40.910 40.800 -0.082 0.000 0.913 2438 D HN 0.418 nan 8.370 nan 0.000 0.523 2439 D N 0.418 120.764 120.400 -0.089 0.000 2.414 2439 D HA 0.018 4.658 4.640 -0.000 0.000 0.242 2439 D C 1.034 177.322 176.300 -0.020 0.000 1.129 2439 D CA 0.080 54.044 54.000 -0.060 0.000 0.885 2439 D CB 1.022 41.815 40.800 -0.012 0.000 1.198 2439 D HN -0.092 nan 8.370 nan 0.000 0.437 2440 M N 2.475 122.076 119.600 0.002 0.000 2.441 2440 M HA 0.117 4.597 4.480 -0.000 0.000 0.244 2440 M C 0.750 177.159 176.300 0.183 0.000 1.122 2440 M CA -0.156 55.180 55.300 0.060 0.000 1.041 2440 M CB 0.210 32.796 32.600 -0.024 0.000 1.438 2440 M HN 0.490 nan 8.290 nan 0.000 0.484 2441 M N 0.995 120.737 119.600 0.237 0.000 2.248 2441 M HA -0.026 4.454 4.480 -0.000 0.000 0.337 2441 M C 0.918 177.271 176.300 0.087 0.000 1.121 2441 M CA 0.585 55.987 55.300 0.170 0.000 1.155 2441 M CB 0.902 33.588 32.600 0.142 0.000 1.514 2441 M HN 0.169 nan 8.290 nan 0.000 0.452 2442 E N 1.875 122.112 120.200 0.063 0.000 1.998 2442 E HA -0.122 4.228 4.350 -0.000 0.000 0.195 2442 E C 0.172 176.788 176.600 0.027 0.000 0.994 2442 E CA 1.098 57.522 56.400 0.039 0.000 0.835 2442 E CB -0.022 29.697 29.700 0.031 0.000 0.786 2442 E HN 0.682 nan 8.360 nan 0.000 0.467 2443 N N 2.425 121.140 118.700 0.024 0.000 3.111 2443 N HA -0.030 4.710 4.740 -0.000 0.000 0.302 2443 N C 0.252 175.767 175.510 0.009 0.000 1.317 2443 N CA 0.063 53.123 53.050 0.016 0.000 1.151 2443 N CB -0.200 38.299 38.487 0.020 0.000 1.456 2443 N HN 0.268 nan 8.380 nan 0.000 0.547 2444 N N -0.349 118.357 118.700 0.009 0.000 2.422 2444 N HA -0.072 4.668 4.740 -0.000 0.000 0.181 2444 N C 0.117 175.617 175.510 -0.017 0.000 1.080 2444 N CA 0.147 53.197 53.050 0.000 0.000 0.893 2444 N CB 0.044 38.542 38.487 0.018 0.000 0.973 2444 N HN 0.040 nan 8.380 nan 0.000 0.456 2445 S N -1.203 114.489 115.700 -0.013 0.000 3.797 2445 S HA -0.208 4.262 4.470 -0.000 0.000 0.374 2445 S C 0.764 175.355 174.600 -0.016 0.000 0.970 2445 S CA 0.726 58.917 58.200 -0.015 0.000 1.177 2445 S CB -1.972 61.215 63.200 -0.022 0.000 0.891 2445 S HN 0.606 nan 8.310 nan 0.000 0.491 2446 S N 0.110 115.800 115.700 -0.017 0.000 2.439 2446 S HA 0.042 4.512 4.470 -0.000 0.000 0.224 2446 S C 1.449 176.031 174.600 -0.029 0.000 1.029 2446 S CA 0.940 59.126 58.200 -0.024 0.000 0.946 2446 S CB -0.080 63.105 63.200 -0.025 0.000 0.797 2446 S HN 0.734 nan 8.310 nan 0.000 0.504 2447 D N 1.769 122.155 120.400 -0.024 0.000 2.117 2447 D HA -0.080 4.560 4.640 -0.000 0.000 0.197 2447 D C 1.910 178.191 176.300 -0.032 0.000 0.987 2447 D CA 1.067 55.051 54.000 -0.026 0.000 0.829 2447 D CB -0.143 40.646 40.800 -0.018 0.000 0.961 2447 D HN 0.485 nan 8.370 nan 0.000 0.460 2448 K N 0.467 120.850 120.400 -0.027 0.000 2.057 2448 K HA -0.055 4.265 4.320 -0.000 0.000 0.206 2448 K C 2.327 178.896 176.600 -0.052 0.000 1.050 2448 K CA 0.640 56.910 56.287 -0.029 0.000 0.935 2448 K CB -0.132 32.359 32.500 -0.016 0.000 0.715 2448 K HN 0.061 nan 8.250 nan 0.000 0.439 2449 I N 0.901 121.439 120.570 -0.052 0.000 2.361 2449 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 2449 I C 2.617 178.637 176.117 -0.162 0.000 1.133 2449 I CA 1.483 62.725 61.300 -0.096 0.000 1.413 2449 I CB -1.607 36.376 38.000 -0.029 0.000 1.073 2449 I HN 0.486 nan 8.210 nan 0.000 0.424 2450 G N 0.122 108.860 108.800 -0.103 0.000 2.440 2450 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.218 2450 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.218 2450 G C 1.712 176.551 174.900 -0.102 0.000 1.154 2450 G CA 0.996 46.040 45.100 -0.093 0.000 0.767 2450 G HN 0.423 nan 8.290 nan 0.000 0.552 2451 K N 0.007 120.352 120.400 -0.092 0.000 2.057 2451 K HA 0.007 4.327 4.320 -0.000 0.000 0.206 2451 K C 2.632 179.160 176.600 -0.119 0.000 1.050 2451 K CA 1.053 57.291 56.287 -0.082 0.000 0.935 2451 K CB -0.564 31.904 32.500 -0.054 0.000 0.715 2451 K HN 0.300 nan 8.250 nan 0.000 0.439 2452 I N 0.132 120.591 120.570 -0.185 0.000 2.163 2452 I HA -0.152 4.018 4.170 -0.000 0.000 0.243 2452 I C 1.574 177.493 176.117 -0.330 0.000 1.085 2452 I CA 1.001 62.132 61.300 -0.282 0.000 1.347 2452 I CB -0.895 36.795 38.000 -0.517 0.000 1.044 2452 I HN 0.109 nan 8.210 nan 0.000 0.408 2453 L N 0.911 121.918 121.223 -0.361 0.000 2.653 2453 L HA 0.452 4.792 4.340 -0.000 0.000 0.232 2453 L C 1.697 178.495 176.870 -0.119 0.000 1.169 2453 L CA 0.640 55.305 54.840 -0.292 0.000 0.951 2453 L CB -1.124 40.721 42.059 -0.356 0.000 1.181 2453 L HN 0.530 nan 8.230 nan 0.000 0.460 2454 G N -0.581 108.160 108.800 -0.098 0.000 2.272 2454 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.280 2454 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.280 2454 G C 0.478 175.359 174.900 -0.031 0.000 1.067 2454 G CA 0.542 45.614 45.100 -0.047 0.000 0.902 2454 G HN 0.337 nan 8.290 nan 0.000 0.500 2455 D N -0.173 120.202 120.400 -0.043 0.000 2.970 2455 D HA 0.493 5.133 4.640 -0.000 0.000 0.236 2455 D C 1.622 177.907 176.300 -0.026 0.000 1.415 2455 D CA 1.473 55.457 54.000 -0.027 0.000 1.279 2455 D CB -0.367 40.416 40.800 -0.028 0.000 0.932 2455 D HN 1.496 nan 8.370 nan 0.000 0.216 2456 G N 0.339 109.120 108.800 -0.032 0.000 2.888 2456 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.441 2456 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.441 2456 G C 0.529 175.418 174.900 -0.019 0.000 1.461 2456 G CA 0.056 45.141 45.100 -0.027 0.000 0.897 2456 G HN 1.063 nan 8.290 nan 0.000 0.547 2457 V N -0.643 119.261 119.914 -0.017 0.000 2.886 2457 V HA -0.045 4.075 4.120 -0.000 0.000 0.162 2457 V C 2.279 178.365 176.094 -0.013 0.000 0.448 2457 V CA 3.490 65.782 62.300 -0.014 0.000 1.186 2457 V CB -1.039 30.777 31.823 -0.011 0.000 1.373 2457 V HN 3.294 nan 8.190 nan 0.000 1.100 2458 G N -1.154 107.637 108.800 -0.014 0.000 2.163 2458 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.213 2458 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.213 2458 G C -0.163 174.730 174.900 -0.011 0.000 0.991 2458 G CA 0.372 45.464 45.100 -0.014 0.000 0.653 2458 G HN 0.872 nan 8.290 nan 0.000 0.518 2459 Q N -0.610 119.184 119.800 -0.010 0.000 2.297 2459 Q HA 0.566 4.906 4.340 -0.000 0.000 0.268 2459 Q C 0.681 176.679 176.000 -0.004 0.000 1.045 2459 Q CA -0.247 55.553 55.803 -0.005 0.000 0.861 2459 Q CB 0.913 29.651 28.738 -0.001 0.000 1.344 2459 Q HN 0.399 nan 8.270 nan 0.000 0.452 2460 N N -0.948 117.755 118.700 0.005 0.000 2.197 2460 N HA -0.010 4.730 4.740 -0.000 0.000 0.228 2460 N C 0.673 176.204 175.510 0.034 0.000 1.212 2460 N CA -0.065 52.992 53.050 0.012 0.000 0.883 2460 N CB 0.474 38.967 38.487 0.009 0.000 1.107 2460 N HN 0.467 nan 8.380 nan 0.000 0.519 2461 E N 1.899 122.118 120.200 0.031 0.000 2.095 2461 E HA -0.272 4.078 4.350 -0.000 0.000 0.212 2461 E C 1.552 178.192 176.600 0.067 0.000 1.044 2461 E CA 1.752 58.177 56.400 0.042 0.000 0.857 2461 E CB 0.026 29.745 29.700 0.031 0.000 0.764 2461 E HN 0.473 nan 8.360 nan 0.000 0.462 2462 K N -0.733 119.708 120.400 0.068 0.000 2.262 2462 K HA 0.024 4.344 4.320 -0.000 0.000 0.200 2462 K C 2.187 178.884 176.600 0.162 0.000 1.049 2462 K CA 0.643 56.993 56.287 0.104 0.000 0.979 2462 K CB 0.022 32.571 32.500 0.081 0.000 0.773 2462 K HN 0.154 nan 8.250 nan 0.000 0.474 2463 R N 0.219 120.789 120.500 0.115 0.000 2.189 2463 R HA -0.044 4.295 4.340 -0.000 0.000 0.218 2463 R C 1.815 178.259 176.300 0.240 0.000 1.074 2463 R CA 1.111 57.297 56.100 0.143 0.000 0.991 2463 R CB -0.097 30.216 30.300 0.021 0.000 0.883 2463 R HN -0.046 nan 8.270 nan 0.000 0.457 2464 K N 1.334 121.846 120.400 0.186 0.000 2.167 2464 K HA -0.064 4.256 4.320 -0.000 0.000 0.203 2464 K C 1.913 178.667 176.600 0.257 0.000 1.052 2464 K CA 0.916 57.326 56.287 0.205 0.000 0.956 2464 K CB 0.150 32.724 32.500 0.122 0.000 0.735 2464 K HN 0.133 nan 8.250 nan 0.000 0.451 2465 K N -0.510 120.022 120.400 0.221 0.000 2.167 2465 K HA -0.144 4.176 4.320 -0.000 0.000 0.203 2465 K C 1.783 178.522 176.600 0.232 0.000 1.052 2465 K CA 0.807 57.205 56.287 0.185 0.000 0.956 2465 K CB -0.170 32.411 32.500 0.134 0.000 0.735 2465 K HN 0.194 nan 8.250 nan 0.000 0.451 2466 W N 1.042 122.428 121.300 0.143 0.000 2.338 2466 W HA -0.243 4.417 4.660 -0.000 0.000 0.304 2466 W C 1.942 178.596 176.519 0.226 0.000 1.212 2466 W CA 1.626 59.077 57.345 0.176 0.000 1.264 2466 W CB -0.260 29.309 29.460 0.181 0.000 1.142 2466 W HN 0.298 nan 8.180 nan 0.000 0.512 2467 W N 1.441 123.004 121.300 0.439 0.000 2.338 2467 W HA -0.245 4.415 4.660 0.000 0.000 0.304 2467 W C 1.454 178.022 176.519 0.082 0.000 1.212 2467 W CA 2.110 59.619 57.345 0.275 0.000 1.264 2467 W CB -0.704 28.877 29.460 0.201 0.000 1.142 2467 W HN -0.130 nan 8.180 nan 0.000 0.512 2468 D N 0.278 120.671 120.400 -0.012 0.000 2.123 2468 D HA -0.225 4.415 4.640 -0.000 0.000 0.196 2468 D C 2.269 178.438 176.300 -0.218 0.000 0.992 2468 D CA 1.960 55.869 54.000 -0.152 0.000 0.833 2468 D CB -0.445 40.356 40.800 0.002 0.000 0.954 2468 D HN 0.028 nan 8.370 nan 0.000 0.455 2469 M N -0.226 119.264 119.600 -0.183 0.000 2.236 2469 M HA 0.002 4.482 4.480 -0.000 0.000 0.266 2469 M C 1.307 177.482 176.300 -0.209 0.000 1.070 2469 M CA 1.136 56.329 55.300 -0.178 0.000 1.137 2469 M CB -0.922 31.588 32.600 -0.151 0.000 1.378 2469 M HN -0.029 nan 8.290 nan 0.000 0.426 2470 N N 0.451 118.927 118.700 -0.374 0.000 2.392 2470 N HA -0.042 4.698 4.740 -0.000 0.000 0.177 2470 N C 1.441 176.746 175.510 -0.342 0.000 1.066 2470 N CA 0.441 53.292 53.050 -0.332 0.000 0.895 2470 N CB -0.127 37.873 38.487 -0.812 0.000 0.988 2470 N HN 0.460 nan 8.380 nan 0.000 0.457 2471 K N -0.007 120.022 120.400 -0.618 0.000 2.152 2471 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 2471 K C 1.725 178.209 176.600 -0.192 0.000 1.048 2471 K CA 1.087 56.884 56.287 -0.817 0.000 0.933 2471 K CB -0.492 31.061 32.500 -1.577 0.000 0.721 2471 K HN 0.293 nan 8.250 nan 0.000 0.447 2472 Y N 1.915 122.023 120.300 -0.321 0.000 2.163 2472 Y HA -0.210 4.339 4.550 -0.000 0.000 0.288 2472 Y C 2.245 178.042 175.900 -0.173 0.000 1.136 2472 Y CA 1.768 59.712 58.100 -0.260 0.000 1.147 2472 Y CB -0.095 38.119 38.460 -0.410 0.000 0.987 2472 Y HN 0.169 nan 8.280 nan 0.000 0.509 2473 H N -1.107 117.988 119.070 0.041 0.000 2.462 2473 H HA -0.101 4.455 4.556 -0.000 0.000 0.292 2473 H C 2.580 177.863 175.328 -0.075 0.000 1.049 2473 H CA 1.568 57.650 56.048 0.057 0.000 1.334 2473 H CB -0.601 29.369 29.762 0.346 0.000 1.404 2473 H HN 0.362 nan 8.280 nan 0.000 0.544 2474 I N 0.216 120.700 120.570 -0.144 0.000 2.179 2474 I HA -0.226 3.943 4.170 -0.000 0.000 0.242 2474 I C 2.522 178.687 176.117 0.080 0.000 1.088 2474 I CA 0.770 61.952 61.300 -0.197 0.000 1.357 2474 I CB -1.018 36.952 38.000 -0.049 0.000 1.051 2474 I HN 0.582 nan 8.210 nan 0.000 0.409 2475 W N 1.225 122.474 121.300 -0.086 0.000 2.388 2475 W HA -0.234 4.426 4.660 -0.000 0.000 0.294 2475 W C 2.439 178.789 176.519 -0.282 0.000 1.212 2475 W CA 1.826 58.982 57.345 -0.315 0.000 1.271 2475 W CB -0.113 28.915 29.460 -0.719 0.000 1.126 2475 W HN 0.305 nan 8.180 nan 0.000 0.535 2476 E N 0.491 120.498 120.200 -0.320 0.000 2.110 2476 E HA -0.174 4.176 4.350 -0.000 0.000 0.193 2476 E C 2.268 178.733 176.600 -0.226 0.000 0.988 2476 E CA 2.107 58.302 56.400 -0.342 0.000 0.804 2476 E CB -0.502 29.041 29.700 -0.263 0.000 0.745 2476 E HN -0.022 nan 8.360 nan 0.000 0.458 2477 S N -0.514 115.128 115.700 -0.095 0.000 2.383 2477 S HA -0.093 4.377 4.470 -0.000 0.000 0.227 2477 S C 1.851 176.377 174.600 -0.125 0.000 1.026 2477 S CA 1.236 59.423 58.200 -0.023 0.000 0.981 2477 S CB -0.178 63.102 63.200 0.133 0.000 0.818 2477 S HN 0.312 nan 8.310 nan 0.000 0.472 2478 M N 0.157 119.613 119.600 -0.241 0.000 2.175 2478 M HA -0.037 4.443 4.480 -0.000 0.000 0.264 2478 M C 2.033 178.039 176.300 -0.490 0.000 1.063 2478 M CA 1.060 56.158 55.300 -0.337 0.000 1.119 2478 M CB -0.330 32.027 32.600 -0.405 0.000 1.377 2478 M HN 0.232 nan 8.290 nan 0.000 0.415 2479 L N -0.359 120.436 121.223 -0.712 0.000 2.141 2479 L HA -0.083 4.257 4.340 -0.000 0.000 0.209 2479 L C 2.405 179.141 176.870 -0.224 0.000 1.094 2479 L CA 1.603 56.084 54.840 -0.599 0.000 0.763 2479 L CB -0.353 41.290 42.059 -0.693 0.000 0.908 2479 L HN 0.140 nan 8.230 nan 0.000 0.437 2480 S N -0.838 114.761 115.700 -0.167 0.000 2.387 2480 S HA -0.038 4.431 4.470 -0.000 0.000 0.226 2480 S C 1.860 176.463 174.600 0.004 0.000 1.026 2480 S CA 0.905 59.074 58.200 -0.052 0.000 0.972 2480 S CB -0.579 62.595 63.200 -0.042 0.000 0.814 2480 S HN 0.615 nan 8.310 nan 0.000 0.477 2481 G N -0.339 108.450 108.800 -0.018 0.000 2.471 2481 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.219 2481 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.219 2481 G C 1.143 176.091 174.900 0.080 0.000 1.125 2481 G CA 0.371 45.489 45.100 0.031 0.000 0.775 2481 G HN 0.571 nan 8.290 nan 0.000 0.548 2482 Y N 1.090 121.337 120.300 -0.089 0.000 2.242 2482 Y HA -0.031 4.519 4.550 -0.000 0.000 0.291 2482 Y C 2.709 178.612 175.900 0.003 0.000 1.137 2482 Y CA 2.042 60.084 58.100 -0.098 0.000 1.181 2482 Y CB 0.035 38.382 38.460 -0.189 0.000 0.989 2482 Y HN 0.174 nan 8.280 nan 0.000 0.527 2483 K N -0.946 119.494 120.400 0.068 0.000 2.057 2483 K HA -0.284 4.036 4.320 -0.000 0.000 0.206 2483 K C 2.008 178.621 176.600 0.022 0.000 1.050 2483 K CA 1.823 58.128 56.287 0.031 0.000 0.935 2483 K CB -0.521 32.024 32.500 0.075 0.000 0.715 2483 K HN 0.469 nan 8.250 nan 0.000 0.439 2484 H N -0.342 118.714 119.070 -0.023 0.000 2.456 2484 H HA -0.036 4.520 4.556 -0.000 0.000 0.296 2484 H C 1.416 176.736 175.328 -0.014 0.000 1.079 2484 H CA 1.745 57.784 56.048 -0.014 0.000 1.322 2484 H CB 0.187 29.948 29.762 -0.003 0.000 1.388 2484 H HN 0.367 nan 8.280 nan 0.000 0.538 2485 A N -1.191 121.644 122.820 0.025 0.000 1.909 2485 A HA 0.082 4.402 4.320 -0.000 0.000 0.209 2485 A C 1.786 179.413 177.584 0.072 0.000 1.247 2485 A CA 0.497 52.558 52.037 0.040 0.000 0.660 2485 A CB -0.548 18.509 19.000 0.094 0.000 0.910 2485 A HN 0.477 nan 8.150 nan 0.000 0.465 2486 Y N -0.597 119.490 120.300 -0.355 0.000 2.259 2486 Y HA 0.381 4.931 4.550 -0.000 0.000 0.285 2486 Y C 1.544 177.286 175.900 -0.263 0.000 1.130 2486 Y CA 0.369 58.242 58.100 -0.379 0.000 1.144 2486 Y CB -0.111 37.929 38.460 -0.699 0.000 1.093 2486 Y HN 0.513 nan 8.280 nan 0.000 0.507 2487 G N 1.354 110.098 108.800 -0.094 0.000 2.778 2487 G HA2 -0.234 3.725 3.960 -0.000 0.000 0.686 2487 G HA3 -0.234 3.725 3.960 -0.000 0.000 0.686 2487 G C -0.404 174.494 174.900 -0.004 0.000 1.309 2487 G CA 0.079 45.157 45.100 -0.037 0.000 0.904 2487 G HN 0.469 nan 8.290 nan 0.000 0.593 2488 N N -0.729 117.986 118.700 0.025 0.000 3.261 2488 N HA 0.137 4.877 4.740 -0.000 0.000 0.217 2488 N C 1.548 177.101 175.510 0.073 0.000 1.152 2488 N CA 1.391 54.465 53.050 0.039 0.000 1.153 2488 N CB -0.135 38.365 38.487 0.022 0.000 1.474 2488 N HN 1.366 nan 8.380 nan 0.000 0.577 2489 I N 0.252 120.857 120.570 0.057 0.000 2.320 2489 I HA 0.413 4.583 4.170 -0.000 0.000 0.283 2489 I C 0.144 176.300 176.117 0.066 0.000 1.086 2489 I CA -0.971 60.364 61.300 0.059 0.000 1.539 2489 I CB -1.281 36.743 38.000 0.040 0.000 1.504 2489 I HN 0.129 nan 8.210 nan 0.000 0.661 2490 S N 2.846 118.604 115.700 0.098 0.000 3.455 2490 S HA 0.068 4.537 4.470 -0.000 0.000 0.288 2490 S C 1.635 176.280 174.600 0.075 0.000 1.231 2490 S CA -0.034 58.225 58.200 0.100 0.000 1.031 2490 S CB -0.367 62.928 63.200 0.158 0.000 1.570 2490 S HN 0.911 nan 8.310 nan 0.000 0.519 2491 E N 2.278 122.509 120.200 0.052 0.000 2.347 2491 E HA -0.127 4.223 4.350 -0.000 0.000 0.196 2491 E C 0.911 177.531 176.600 0.034 0.000 1.008 2491 E CA 0.588 57.011 56.400 0.038 0.000 0.852 2491 E CB -0.115 29.603 29.700 0.030 0.000 0.783 2491 E HN 0.580 nan 8.360 nan 0.000 0.505 2492 N N 1.170 119.894 118.700 0.041 0.000 2.300 2492 N HA -0.072 4.668 4.740 -0.000 0.000 0.179 2492 N C 0.843 176.377 175.510 0.040 0.000 1.016 2492 N CA 0.957 54.030 53.050 0.038 0.000 0.876 2492 N CB 0.065 38.576 38.487 0.040 0.000 0.979 2492 N HN 0.234 nan 8.380 nan 0.000 0.432 2493 D N 0.562 120.992 120.400 0.051 0.000 2.340 2493 D HA -0.011 4.629 4.640 -0.000 0.000 0.220 2493 D C 1.722 178.029 176.300 0.012 0.000 1.039 2493 D CA 0.150 54.178 54.000 0.046 0.000 0.866 2493 D CB 0.248 41.099 40.800 0.085 0.000 0.913 2493 D HN 0.077 nan 8.370 nan 0.000 0.523 2494 R N 1.695 122.202 120.500 0.012 0.000 2.148 2494 R HA -0.070 4.270 4.340 -0.000 0.000 0.227 2494 R C 1.825 178.122 176.300 -0.005 0.000 1.103 2494 R CA 0.889 56.988 56.100 -0.002 0.000 0.983 2494 R CB 0.030 30.336 30.300 0.009 0.000 0.874 2494 R HN -0.008 nan 8.270 nan 0.000 0.451 2495 K N -0.550 119.850 120.400 0.001 0.000 2.056 2495 K HA -0.255 4.064 4.320 -0.000 0.000 0.225 2495 K C 1.562 178.153 176.600 -0.015 0.000 1.053 2495 K CA 2.642 58.928 56.287 -0.002 0.000 0.966 2495 K CB -0.228 32.275 32.500 0.004 0.000 0.735 2495 K HN 0.257 nan 8.250 nan 0.000 0.455 2496 M N -0.189 119.399 119.600 -0.020 0.000 2.313 2496 M HA 0.096 4.576 4.480 -0.000 0.000 0.273 2496 M C -0.134 176.131 176.300 -0.058 0.000 1.049 2496 M CA -0.244 55.032 55.300 -0.040 0.000 1.004 2496 M CB 0.729 33.310 32.600 -0.032 0.000 1.461 2496 M HN 0.028 nan 8.290 nan 0.000 0.514 2497 L N 2.343 123.542 121.223 -0.040 0.000 2.423 2497 L HA 0.316 4.656 4.340 -0.000 0.000 0.249 2497 L C -1.035 175.858 176.870 0.039 0.000 1.276 2497 L CA 0.567 55.393 54.840 -0.023 0.000 1.199 2497 L CB -0.707 41.295 42.059 -0.095 0.000 1.407 2497 L HN 0.001 nan 8.230 nan 0.000 0.410 2498 D N 1.441 121.842 120.400 0.001 0.000 2.559 2498 D HA 0.361 5.001 4.640 -0.000 0.000 0.250 2498 D C -0.386 175.733 176.300 -0.302 0.000 1.135 2498 D CA -0.407 53.592 54.000 -0.002 0.000 0.955 2498 D CB 2.271 43.045 40.800 -0.043 0.000 1.442 2498 D HN -0.051 nan 8.370 nan 0.000 0.471 2499 I N 1.321 121.638 120.570 -0.421 0.000 2.919 2499 I HA 0.024 4.194 4.170 -0.000 0.000 0.299 2499 I C -1.851 173.845 176.117 -0.701 0.000 1.221 2499 I CA -1.140 59.593 61.300 -0.944 0.000 1.424 2499 I CB -1.492 36.235 38.000 -0.455 0.000 1.358 2499 I HN 0.248 nan 8.210 nan 0.000 0.551 2500 P HA 0.244 nan 4.420 nan 0.000 0.275 2500 P C 0.125 177.309 177.300 -0.193 0.000 1.227 2500 P CA -0.393 62.431 63.100 -0.459 0.000 0.781 2500 P CB 0.407 31.837 31.700 -0.449 0.000 0.906 2501 N N 2.176 120.802 118.700 -0.124 0.000 2.714 2501 N HA 0.102 4.842 4.740 -0.000 0.000 0.298 2501 N C -0.366 175.142 175.510 -0.003 0.000 1.298 2501 N CA 0.089 53.113 53.050 -0.043 0.000 1.007 2501 N CB -1.054 37.404 38.487 -0.049 0.000 1.318 2501 N HN 0.299 nan 8.380 nan 0.000 0.516 2502 N N -1.020 117.696 118.700 0.027 0.000 2.167 2502 N HA 0.021 4.761 4.740 -0.000 0.000 0.234 2502 N C 0.384 175.938 175.510 0.074 0.000 1.312 2502 N CA -0.183 52.892 53.050 0.041 0.000 0.861 2502 N CB 0.669 39.160 38.487 0.007 0.000 1.217 2502 N HN 0.238 nan 8.380 nan 0.000 0.504 2503 D N 0.426 120.901 120.400 0.125 0.000 2.312 2503 D HA -0.151 4.488 4.640 -0.000 0.000 0.211 2503 D C 0.647 176.970 176.300 0.039 0.000 0.964 2503 D CA 0.896 54.959 54.000 0.105 0.000 0.877 2503 D CB 0.063 41.056 40.800 0.321 0.000 0.924 2503 D HN 0.352 nan 8.370 nan 0.000 0.515 2504 D N 0.397 120.823 120.400 0.044 0.000 2.333 2504 D HA -0.069 4.571 4.640 -0.000 0.000 0.208 2504 D C 0.717 176.959 176.300 -0.097 0.000 0.984 2504 D CA -0.013 53.977 54.000 -0.016 0.000 0.873 2504 D CB -0.454 40.351 40.800 0.008 0.000 0.935 2504 D HN 0.156 nan 8.370 nan 0.000 0.521 2505 E N 1.296 121.471 120.200 -0.042 0.000 2.360 2505 E HA -0.028 4.322 4.350 -0.000 0.000 0.269 2505 E C -0.109 176.469 176.600 -0.036 0.000 1.022 2505 E CA -0.358 56.028 56.400 -0.024 0.000 0.887 2505 E CB 0.256 30.008 29.700 0.087 0.000 0.990 2505 E HN 0.132 nan 8.360 nan 0.000 0.426 2506 H N 3.548 122.683 119.070 0.109 0.000 3.064 2506 H HA -0.090 4.466 4.556 -0.000 0.000 0.329 2506 H C 0.774 176.130 175.328 0.047 0.000 1.020 2506 H CA 0.582 56.698 56.048 0.114 0.000 1.402 2506 H CB 0.904 30.824 29.762 0.263 0.000 1.379 2506 H HN 0.722 nan 8.280 nan 0.000 0.594 2507 Q N 2.900 122.723 119.800 0.037 0.000 2.046 2507 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 2507 Q C 2.002 177.758 176.000 -0.406 0.000 0.975 2507 Q CA 1.211 56.852 55.803 -0.269 0.000 0.836 2507 Q CB -0.044 28.397 28.738 -0.494 0.000 0.896 2507 Q HN 0.712 nan 8.270 nan 0.000 0.428 2508 F N 0.567 120.297 119.950 -0.368 0.000 2.120 2508 F HA -0.260 4.267 4.527 -0.000 0.000 0.300 2508 F C 1.699 177.510 175.800 0.018 0.000 1.095 2508 F CA 1.040 58.896 58.000 -0.239 0.000 1.249 2508 F CB -0.117 38.681 39.000 -0.337 0.000 0.995 2508 F HN 0.153 nan 8.300 nan 0.000 0.480 2509 L N 0.675 121.820 121.223 -0.131 0.000 2.217 2509 L HA -0.036 4.304 4.340 -0.000 0.000 0.211 2509 L C 2.411 179.441 176.870 0.267 0.000 1.107 2509 L CA 1.405 56.260 54.840 0.024 0.000 0.783 2509 L CB -0.696 41.493 42.059 0.218 0.000 0.919 2509 L HN 0.068 nan 8.230 nan 0.000 0.442 2510 R N -2.469 118.187 120.500 0.259 0.000 2.119 2510 R HA -0.142 4.198 4.340 -0.000 0.000 0.222 2510 R C 1.983 178.596 176.300 0.521 0.000 1.088 2510 R CA 1.103 57.469 56.100 0.442 0.000 0.984 2510 R CB -0.265 30.284 30.300 0.416 0.000 0.884 2510 R HN 0.337 nan 8.270 nan 0.000 0.447 2511 W N -0.083 121.311 121.300 0.156 0.000 2.409 2511 W HA -0.090 4.569 4.660 -0.001 0.000 0.299 2511 W C 1.955 178.588 176.519 0.191 0.000 1.203 2511 W CA 0.067 57.512 57.345 0.168 0.000 1.298 2511 W CB -0.972 28.590 29.460 0.170 0.000 1.127 2511 W HN -0.024 nan 8.180 nan 0.000 0.528 2512 F N 1.372 121.336 119.950 0.023 0.000 2.134 2512 F HA -0.215 4.312 4.527 0.000 0.000 0.299 2512 F C 2.469 178.145 175.800 -0.208 0.000 1.097 2512 F CA 2.026 59.907 58.000 -0.198 0.000 1.264 2512 F CB -1.104 37.711 39.000 -0.309 0.000 1.001 2512 F HN 0.012 nan 8.300 nan 0.000 0.479 2513 Q N 0.045 119.980 119.800 0.224 0.000 2.050 2513 Q HA -0.256 4.084 4.340 -0.000 0.000 0.202 2513 Q C 2.334 178.430 176.000 0.159 0.000 0.980 2513 Q CA 1.993 57.895 55.803 0.164 0.000 0.840 2513 Q CB -0.401 28.670 28.738 0.555 0.000 0.898 2513 Q HN 0.561 nan 8.270 nan 0.000 0.424 2514 E N -0.557 119.693 120.200 0.084 0.000 2.085 2514 E HA -0.238 4.111 4.350 -0.000 0.000 0.194 2514 E C 1.629 178.314 176.600 0.141 0.000 0.994 2514 E CA 1.417 57.725 56.400 -0.153 0.000 0.801 2514 E CB -0.333 29.044 29.700 -0.538 0.000 0.743 2514 E HN 0.537 nan 8.360 nan 0.000 0.453 2515 W N 1.153 122.444 121.300 -0.016 0.000 2.355 2515 W HA -0.169 4.491 4.660 -0.000 0.000 0.309 2515 W C 2.246 178.679 176.519 -0.143 0.000 1.206 2515 W CA 2.366 59.513 57.345 -0.330 0.000 1.284 2515 W CB -0.444 28.481 29.460 -0.891 0.000 1.145 2515 W HN -0.004 nan 8.180 nan 0.000 0.502 2516 T N 0.523 115.155 114.554 0.130 0.000 2.777 2516 T HA -0.199 4.151 4.350 -0.000 0.000 0.266 2516 T C 1.372 176.069 174.700 -0.006 0.000 1.040 2516 T CA 1.808 63.920 62.100 0.019 0.000 1.141 2516 T CB -0.365 68.368 68.868 -0.225 0.000 0.868 2516 T HN 0.283 nan 8.240 nan 0.000 0.444 2517 E N 1.313 121.519 120.200 0.009 0.000 2.038 2517 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 2517 E C 2.315 178.898 176.600 -0.028 0.000 1.000 2517 E CA 1.266 57.674 56.400 0.013 0.000 0.803 2517 E CB -0.201 29.529 29.700 0.050 0.000 0.750 2517 E HN 0.357 nan 8.360 nan 0.000 0.448 2518 N N 0.458 119.139 118.700 -0.032 0.000 2.120 2518 N HA -0.170 4.570 4.740 -0.000 0.000 0.188 2518 N C 1.545 177.003 175.510 -0.087 0.000 1.024 2518 N CA 0.919 53.956 53.050 -0.021 0.000 0.852 2518 N CB -0.451 38.076 38.487 0.066 0.000 1.003 2518 N HN 0.156 nan 8.380 nan 0.000 0.424 2519 F N 0.747 120.438 119.950 -0.431 0.000 2.134 2519 F HA -0.209 4.317 4.527 -0.000 0.000 0.299 2519 F C 2.132 177.868 175.800 -0.105 0.000 1.097 2519 F CA 1.131 58.887 58.000 -0.406 0.000 1.264 2519 F CB -0.370 38.011 39.000 -1.032 0.000 1.001 2519 F HN 0.017 nan 8.300 nan 0.000 0.479 2520 c N 0.427 118.879 118.600 -0.247 0.000 2.453 2520 c HA -0.136 4.433 4.570 -0.000 0.000 0.277 2520 c C 2.724 176.697 174.090 -0.195 0.000 1.262 2520 c CA 1.790 57.976 56.329 -0.238 0.000 1.718 2520 c CB -1.252 41.242 42.510 -0.027 0.000 2.031 2520 c HN 0.607 nan 8.230 nan 0.000 0.480 2521 T N 0.641 115.116 114.554 -0.131 0.000 2.684 2521 T HA -0.223 4.127 4.350 -0.000 0.000 0.267 2521 T C 1.858 176.467 174.700 -0.152 0.000 1.036 2521 T CA 1.807 63.847 62.100 -0.100 0.000 1.148 2521 T CB -0.230 68.608 68.868 -0.049 0.000 0.863 2521 T HN 0.418 nan 8.240 nan 0.000 0.436 2522 K N 1.263 121.529 120.400 -0.223 0.000 2.062 2522 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 2522 K C 2.426 178.697 176.600 -0.548 0.000 1.051 2522 K CA 0.844 56.895 56.287 -0.392 0.000 0.941 2522 K CB -0.251 31.951 32.500 -0.498 0.000 0.719 2522 K HN -0.003 nan 8.250 nan 0.000 0.440 2523 R N 0.914 121.093 120.500 -0.535 0.000 2.091 2523 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 2523 R C 1.853 178.094 176.300 -0.099 0.000 1.136 2523 R CA 1.899 57.794 56.100 -0.341 0.000 0.959 2523 R CB -0.746 29.278 30.300 -0.460 0.000 0.856 2523 R HN 0.454 nan 8.270 nan 0.000 0.437 2524 N N 0.130 118.751 118.700 -0.132 0.000 2.142 2524 N HA -0.177 4.563 4.740 -0.000 0.000 0.186 2524 N C 1.760 177.258 175.510 -0.019 0.000 1.023 2524 N CA 0.958 53.973 53.050 -0.060 0.000 0.852 2524 N CB 0.005 38.454 38.487 -0.064 0.000 0.998 2524 N HN 0.363 nan 8.380 nan 0.000 0.424 2525 E N 0.734 120.889 120.200 -0.076 0.000 2.106 2525 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 2525 E C 2.008 178.577 176.600 -0.050 0.000 0.984 2525 E CA 0.559 56.920 56.400 -0.064 0.000 0.806 2525 E CB 0.084 29.725 29.700 -0.099 0.000 0.750 2525 E HN 0.404 nan 8.360 nan 0.000 0.458 2526 L N -0.048 121.132 121.223 -0.071 0.000 2.291 2526 L HA -0.115 4.225 4.340 -0.000 0.000 0.214 2526 L C 2.238 179.136 176.870 0.047 0.000 1.120 2526 L CA 0.553 55.390 54.840 -0.004 0.000 0.799 2526 L CB -0.285 41.772 42.059 -0.002 0.000 0.925 2526 L HN 0.227 nan 8.230 nan 0.000 0.446 2527 Y N 0.932 121.191 120.300 -0.068 0.000 2.263 2527 Y HA -0.282 4.268 4.550 -0.000 0.000 0.292 2527 Y C 2.607 178.430 175.900 -0.129 0.000 1.130 2527 Y CA 1.752 59.746 58.100 -0.175 0.000 1.179 2527 Y CB 0.215 38.567 38.460 -0.180 0.000 0.998 2527 Y HN 0.166 nan 8.280 nan 0.000 0.532 2528 E N 0.545 120.800 120.200 0.092 0.000 2.085 2528 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 2528 E C 1.318 177.895 176.600 -0.038 0.000 0.994 2528 E CA 2.186 58.605 56.400 0.033 0.000 0.801 2528 E CB -0.427 29.287 29.700 0.024 0.000 0.743 2528 E HN 0.648 nan 8.360 nan 0.000 0.453 2529 N N -0.873 117.796 118.700 -0.053 0.000 2.515 2529 N HA 0.007 4.747 4.740 -0.000 0.000 0.185 2529 N C 1.298 176.745 175.510 -0.105 0.000 1.109 2529 N CA 0.531 53.543 53.050 -0.063 0.000 0.903 2529 N CB 0.044 38.504 38.487 -0.045 0.000 0.969 2529 N HN 0.221 nan 8.380 nan 0.000 0.450 2530 M N 0.105 119.591 119.600 -0.190 0.000 2.492 2530 M HA 0.051 4.531 4.480 -0.000 0.000 0.255 2530 M C 1.568 177.698 176.300 -0.283 0.000 1.139 2530 M CA 0.606 55.739 55.300 -0.279 0.000 1.096 2530 M CB 0.544 32.850 32.600 -0.490 0.000 1.360 2530 M HN 0.149 nan 8.290 nan 0.000 0.480 2531 V N -3.776 115.998 119.914 -0.234 0.000 2.922 2531 V HA 0.039 4.159 4.120 -0.000 0.000 0.242 2531 V C 2.111 178.152 176.094 -0.089 0.000 1.094 2531 V CA 1.160 63.364 62.300 -0.160 0.000 1.106 2531 V CB -1.039 30.720 31.823 -0.107 0.000 0.799 2531 V HN 0.380 nan 8.190 nan 0.000 0.474 2532 T N -0.281 114.232 114.554 -0.069 0.000 2.814 2532 T HA 0.203 4.553 4.350 -0.000 0.000 0.254 2532 T C 1.774 176.446 174.700 -0.047 0.000 1.037 2532 T CA 1.236 63.309 62.100 -0.045 0.000 1.143 2532 T CB -0.680 68.170 68.868 -0.030 0.000 0.866 2532 T HN 0.801 nan 8.240 nan 0.000 0.431 2533 A N 0.057 122.846 122.820 -0.053 0.000 2.310 2533 A HA 0.560 4.880 4.320 -0.000 0.000 0.230 2533 A C 0.806 178.357 177.584 -0.056 0.000 1.294 2533 A CA -0.308 51.700 52.037 -0.047 0.000 0.898 2533 A CB -1.492 17.484 19.000 -0.041 0.000 0.917 2533 A HN 0.697 nan 8.150 nan 0.000 0.491 2551 c N 1.243 119.824 118.600 -0.031 0.000 2.419 2551 c HA -0.100 4.469 4.570 -0.000 0.000 0.281 2551 c C 2.884 176.954 174.090 -0.033 0.000 1.336 2551 c CA 1.661 57.966 56.329 -0.039 0.000 1.770 2551 c CB -1.287 41.190 42.510 -0.055 0.000 1.929 2551 c HN 0.572 nan 8.230 nan 0.000 0.509 2552 T N -1.095 113.441 114.554 -0.029 0.000 2.969 2552 T HA -0.232 4.118 4.350 -0.000 0.000 0.271 2552 T C 1.405 176.115 174.700 0.017 0.000 1.127 2552 T CA 1.919 64.009 62.100 -0.016 0.000 1.102 2552 T CB -0.648 68.208 68.868 -0.020 0.000 0.855 2552 T HN 0.754 nan 8.240 nan 0.000 0.536 2553 E N 2.241 122.448 120.200 0.011 0.000 2.085 2553 E HA -0.072 4.278 4.350 -0.000 0.000 0.194 2553 E C 2.230 178.853 176.600 0.038 0.000 0.994 2553 E CA 1.547 57.961 56.400 0.024 0.000 0.801 2553 E CB -0.833 28.873 29.700 0.010 0.000 0.743 2553 E HN 0.665 nan 8.360 nan 0.000 0.453 2554 A N -0.685 122.148 122.820 0.022 0.000 2.072 2554 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 2554 A C 2.405 180.035 177.584 0.077 0.000 1.156 2554 A CA 0.831 52.885 52.037 0.029 0.000 0.701 2554 A CB -0.647 18.340 19.000 -0.021 0.000 0.816 2554 A HN 0.481 nan 8.150 nan 0.000 0.458 2555 c N -0.222 118.426 118.600 0.080 0.000 2.425 2555 c HA -0.070 4.500 4.570 -0.000 0.000 0.277 2555 c C 2.557 176.853 174.090 0.342 0.000 1.280 2555 c CA 1.400 57.844 56.329 0.191 0.000 1.744 2555 c CB -0.813 41.740 42.510 0.072 0.000 1.989 2555 c HN 0.580 nan 8.230 nan 0.000 0.491 2556 K N 0.063 120.597 120.400 0.223 0.000 2.323 2556 K HA 0.048 4.368 4.320 -0.000 0.000 0.197 2556 K C 1.531 178.229 176.600 0.164 0.000 1.043 2556 K CA 0.232 56.642 56.287 0.207 0.000 0.997 2556 K CB -0.096 32.493 32.500 0.150 0.000 0.807 2556 K HN 0.460 nan 8.250 nan 0.000 0.497 2557 N N 0.694 119.484 118.700 0.150 0.000 2.171 2557 N HA -0.165 4.575 4.740 -0.000 0.000 0.184 2557 N C 1.642 177.258 175.510 0.177 0.000 1.021 2557 N CA 1.103 54.232 53.050 0.131 0.000 0.854 2557 N CB -0.200 38.339 38.487 0.086 0.000 0.994 2557 N HN 0.216 nan 8.380 nan 0.000 0.426 2558 Y N 1.517 121.859 120.300 0.070 0.000 2.133 2558 Y HA -0.161 4.389 4.550 -0.000 0.000 0.287 2558 Y C 2.842 178.825 175.900 0.138 0.000 1.134 2558 Y CA 1.843 59.997 58.100 0.090 0.000 1.133 2558 Y CB -0.624 37.861 38.460 0.042 0.000 0.987 2558 Y HN -0.047 nan 8.280 nan 0.000 0.502 2559 S N 0.152 115.963 115.700 0.184 0.000 2.365 2559 S HA -0.304 4.166 4.470 -0.000 0.000 0.225 2559 S C 1.961 176.560 174.600 -0.002 0.000 1.039 2559 S CA 2.027 60.207 58.200 -0.034 0.000 1.033 2559 S CB -0.798 62.344 63.200 -0.097 0.000 0.887 2559 S HN 0.702 nan 8.310 nan 0.000 0.447 2560 N N 0.144 118.888 118.700 0.074 0.000 2.058 2560 N HA -0.119 4.621 4.740 -0.000 0.000 0.191 2560 N C 1.562 177.124 175.510 0.087 0.000 1.037 2560 N CA 1.913 55.011 53.050 0.079 0.000 0.848 2560 N CB -0.678 37.868 38.487 0.100 0.000 1.021 2560 N HN 0.517 nan 8.380 nan 0.000 0.422 2561 F N 0.803 120.733 119.950 -0.033 0.000 2.091 2561 F HA -0.205 4.322 4.527 0.000 0.000 0.299 2561 F C 2.298 178.092 175.800 -0.009 0.000 1.103 2561 F CA 1.416 59.395 58.000 -0.035 0.000 1.228 2561 F CB -0.643 38.307 39.000 -0.083 0.000 0.984 2561 F HN -0.030 nan 8.300 nan 0.000 0.477 2562 I N 0.722 121.204 120.570 -0.147 0.000 2.163 2562 I HA -0.312 3.858 4.170 -0.000 0.000 0.243 2562 I C 2.530 178.645 176.117 -0.004 0.000 1.085 2562 I CA 1.641 62.868 61.300 -0.121 0.000 1.347 2562 I CB -1.467 36.489 38.000 -0.073 0.000 1.044 2562 I HN 0.361 nan 8.210 nan 0.000 0.408 2563 L N -0.466 120.755 121.223 -0.004 0.000 2.156 2563 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 2563 L C 2.742 179.593 176.870 -0.031 0.000 1.095 2563 L CA 0.847 55.700 54.840 0.021 0.000 0.770 2563 L CB -0.699 41.375 42.059 0.025 0.000 0.914 2563 L HN 0.243 nan 8.230 nan 0.000 0.439 2564 I N -0.791 119.740 120.570 -0.064 0.000 2.113 2564 I HA -0.194 3.976 4.170 -0.000 0.000 0.238 2564 I C 2.493 178.543 176.117 -0.111 0.000 1.070 2564 I CA 1.210 62.469 61.300 -0.069 0.000 1.332 2564 I CB -0.905 37.071 38.000 -0.041 0.000 1.044 2564 I HN 0.276 nan 8.210 nan 0.000 0.402 2565 K N 0.479 120.752 120.400 -0.211 0.000 2.515 2565 K HA -0.118 4.202 4.320 -0.000 0.000 0.196 2565 K C 1.973 178.455 176.600 -0.196 0.000 1.038 2565 K CA 0.700 56.899 56.287 -0.147 0.000 0.967 2565 K CB -0.414 31.874 32.500 -0.352 0.000 0.780 2565 K HN 0.485 nan 8.250 nan 0.000 0.483 2566 K N 1.638 121.909 120.400 -0.216 0.000 1.991 2566 K HA -0.093 4.227 4.320 -0.000 0.000 0.207 2566 K C 1.724 178.066 176.600 -0.431 0.000 1.045 2566 K CA 1.140 57.148 56.287 -0.466 0.000 0.937 2566 K CB 0.121 32.578 32.500 -0.070 0.000 0.720 2566 K HN -0.048 nan 8.250 nan 0.000 0.438 2567 K N 0.750 121.005 120.400 -0.241 0.000 2.063 2567 K HA -0.170 4.150 4.320 -0.000 0.000 0.208 2567 K C 2.082 178.518 176.600 -0.273 0.000 1.048 2567 K CA 1.765 57.925 56.287 -0.213 0.000 0.928 2567 K CB -0.049 32.376 32.500 -0.126 0.000 0.713 2567 K HN 0.309 nan 8.250 nan 0.000 0.442 2568 E N -0.047 119.996 120.200 -0.262 0.000 2.051 2568 E HA -0.231 4.119 4.350 -0.000 0.000 0.192 2568 E C 1.967 178.161 176.600 -0.676 0.000 0.991 2568 E CA 1.336 57.528 56.400 -0.347 0.000 0.799 2568 E CB -0.244 29.359 29.700 -0.162 0.000 0.748 2568 E HN 0.340 nan 8.360 nan 0.000 0.449 2569 Y N 1.962 121.721 120.300 -0.901 0.000 2.181 2569 Y HA -0.253 4.297 4.550 -0.000 0.000 0.288 2569 Y C 2.195 177.628 175.900 -0.778 0.000 1.146 2569 Y CA 1.807 59.230 58.100 -1.129 0.000 1.164 2569 Y CB -0.129 37.669 38.460 -1.105 0.000 0.982 2569 Y HN -0.003 nan 8.280 nan 0.000 0.515 2570 Q N -0.459 118.935 119.800 -0.676 0.000 2.181 2570 Q HA -0.181 4.159 4.340 -0.000 0.000 0.205 2570 Q C 2.399 178.111 176.000 -0.480 0.000 0.980 2570 Q CA 1.873 57.349 55.803 -0.545 0.000 0.862 2570 Q CB -0.130 28.399 28.738 -0.347 0.000 0.905 2570 Q HN 0.442 nan 8.270 nan 0.000 0.429 2571 S N 0.527 115.947 115.700 -0.465 0.000 2.335 2571 S HA -0.079 4.391 4.470 -0.000 0.000 0.217 2571 S C 1.903 176.242 174.600 -0.435 0.000 1.032 2571 S CA 0.823 58.800 58.200 -0.373 0.000 0.985 2571 S CB -0.239 62.779 63.200 -0.304 0.000 0.896 2571 S HN 0.270 nan 8.310 nan 0.000 0.445 2572 L N 2.037 122.858 121.223 -0.671 0.000 2.042 2572 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 2572 L C 2.487 179.027 176.870 -0.549 0.000 1.076 2572 L CA 1.263 55.640 54.840 -0.772 0.000 0.749 2572 L CB -0.618 40.440 42.059 -1.668 0.000 0.893 2572 L HN 0.441 nan 8.230 nan 0.000 0.432 2573 N N -0.739 117.545 118.700 -0.692 0.000 2.309 2573 N HA -0.195 4.545 4.740 -0.000 0.000 0.182 2573 N C 2.063 177.505 175.510 -0.113 0.000 1.018 2573 N CA 1.129 53.991 53.050 -0.313 0.000 0.876 2573 N CB 0.192 38.221 38.487 -0.763 0.000 0.972 2573 N HN 0.195 nan 8.380 nan 0.000 0.434 2574 S N 0.679 116.247 115.700 -0.219 0.000 2.368 2574 S HA -0.202 4.267 4.470 -0.000 0.000 0.225 2574 S C 1.913 176.456 174.600 -0.096 0.000 1.030 2574 S CA 1.436 59.552 58.200 -0.139 0.000 0.999 2574 S CB -0.248 62.848 63.200 -0.173 0.000 0.844 2574 S HN 0.408 nan 8.310 nan 0.000 0.459 2575 Q N -0.242 119.474 119.800 -0.140 0.000 2.079 2575 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 2575 Q C 1.818 177.760 176.000 -0.098 0.000 0.974 2575 Q CA 1.932 57.591 55.803 -0.240 0.000 0.840 2575 Q CB -0.783 27.616 28.738 -0.565 0.000 0.898 2575 Q HN 0.774 nan 8.270 nan 0.000 0.430 2576 Y N 0.577 120.910 120.300 0.055 0.000 2.165 2576 Y HA -0.247 4.303 4.550 -0.000 0.000 0.286 2576 Y C 1.509 177.497 175.900 0.147 0.000 1.155 2576 Y CA 2.170 60.443 58.100 0.288 0.000 1.164 2576 Y CB -0.043 38.703 38.460 0.478 0.000 0.978 2576 Y HN 0.221 nan 8.280 nan 0.000 0.513 2577 D N -0.286 120.269 120.400 0.258 0.000 2.183 2577 D HA -0.179 4.461 4.640 -0.000 0.000 0.203 2577 D C 2.195 178.500 176.300 0.008 0.000 0.969 2577 D CA 1.255 55.332 54.000 0.128 0.000 0.842 2577 D CB -0.277 40.586 40.800 0.106 0.000 0.957 2577 D HN 0.472 nan 8.370 nan 0.000 0.484 2578 M N -0.139 119.449 119.600 -0.020 0.000 2.156 2578 M HA -0.120 4.360 4.480 -0.000 0.000 0.264 2578 M C 0.671 176.902 176.300 -0.115 0.000 1.067 2578 M CA 1.630 56.888 55.300 -0.070 0.000 1.131 2578 M CB 0.172 32.719 32.600 -0.089 0.000 1.368 2578 M HN -0.086 nan 8.290 nan 0.000 0.416 2579 N N -2.974 115.647 118.700 -0.131 0.000 2.166 2579 N HA 0.078 4.818 4.740 -0.000 0.000 0.222 2579 N C 0.330 175.550 175.510 -0.484 0.000 1.282 2579 N CA 0.068 52.933 53.050 -0.308 0.000 0.890 2579 N CB 0.752 38.989 38.487 -0.416 0.000 1.114 2579 N HN 0.205 nan 8.380 nan 0.000 0.494 2580 Y N 0.674 120.768 120.300 -0.342 0.000 2.430 2580 Y HA 0.336 4.886 4.550 -0.000 0.000 0.254 2580 Y C 1.961 177.535 175.900 -0.544 0.000 1.088 2580 Y CA -0.164 57.674 58.100 -0.438 0.000 1.267 2580 Y CB 0.374 38.573 38.460 -0.434 0.000 1.204 2580 Y HN -0.148 nan 8.280 nan 0.000 0.515 2581 K N 1.375 121.555 120.400 -0.367 0.000 1.987 2581 K HA -0.253 4.067 4.320 -0.000 0.000 0.216 2581 K C 1.751 178.238 176.600 -0.188 0.000 1.051 2581 K CA 2.600 58.699 56.287 -0.314 0.000 0.942 2581 K CB 0.022 32.462 32.500 -0.101 0.000 0.722 2581 K HN 0.570 nan 8.250 nan 0.000 0.444 2582 E N -1.296 118.824 120.200 -0.134 0.000 2.244 2582 E HA -0.046 4.304 4.350 -0.000 0.000 0.196 2582 E C 1.765 178.306 176.600 -0.098 0.000 0.939 2582 E CA 1.017 57.364 56.400 -0.088 0.000 0.884 2582 E CB -0.093 29.572 29.700 -0.059 0.000 0.850 2582 E HN 0.343 nan 8.360 nan 0.000 0.481 2583 T N -0.641 113.830 114.554 -0.138 0.000 2.904 2583 T HA 0.045 4.395 4.350 -0.000 0.000 0.267 2583 T C 1.664 176.280 174.700 -0.141 0.000 1.059 2583 T CA 1.031 63.046 62.100 -0.141 0.000 1.137 2583 T CB 0.053 68.811 68.868 -0.185 0.000 0.879 2583 T HN -0.028 nan 8.240 nan 0.000 0.467 2584 K N 1.164 121.455 120.400 -0.181 0.000 2.309 2584 K HA 0.635 4.954 4.320 -0.000 0.000 0.210 2584 K C 1.395 177.962 176.600 -0.056 0.000 1.114 2584 K CA 0.514 56.718 56.287 -0.139 0.000 0.912 2584 K CB -0.210 32.124 32.500 -0.276 0.000 1.198 2584 K HN 0.408 nan 8.250 nan 0.000 0.471 2585 A N 0.891 123.625 122.820 -0.143 0.000 2.260 2585 A HA 0.195 4.515 4.320 -0.000 0.000 0.278 2585 A C -0.037 177.535 177.584 -0.021 0.000 1.269 2585 A CA -0.015 51.940 52.037 -0.135 0.000 0.824 2585 A CB 0.051 18.736 19.000 -0.526 0.000 1.238 2585 A HN 0.188 nan 8.150 nan 0.000 0.507 2586 E N -0.383 119.862 120.200 0.075 0.000 2.354 2586 E HA 0.236 4.586 4.350 -0.000 0.000 0.252 2586 E C -0.257 176.383 176.600 0.066 0.000 1.330 2586 E CA 0.115 56.570 56.400 0.092 0.000 1.658 2586 E CB -1.050 28.737 29.700 0.145 0.000 1.460 2586 E HN 0.551 nan 8.360 nan 0.000 0.435 2587 K N -0.064 120.347 120.400 0.019 0.000 3.274 2587 K HA -0.270 4.050 4.320 -0.000 0.000 0.305 2587 K C -0.207 176.430 176.600 0.062 0.000 1.225 2587 K CA 1.371 57.672 56.287 0.023 0.000 0.904 2587 K CB -1.237 31.276 32.500 0.021 0.000 1.227 2587 K HN 0.354 nan 8.250 nan 0.000 0.453 2588 K N 0.442 120.901 120.400 0.099 0.000 2.238 2588 K HA 0.431 4.750 4.320 -0.000 0.000 0.239 2588 K C -0.140 176.576 176.600 0.193 0.000 0.987 2588 K CA -1.146 55.224 56.287 0.138 0.000 0.857 2588 K CB 1.531 34.125 32.500 0.157 0.000 1.154 2588 K HN -0.190 nan 8.250 nan 0.000 0.439 2589 E N 0.755 121.055 120.200 0.165 0.000 2.392 2589 E HA 0.033 4.382 4.350 -0.000 0.000 0.259 2589 E C 0.710 177.341 176.600 0.051 0.000 1.108 2589 E CA -0.001 56.490 56.400 0.151 0.000 0.916 2589 E CB 1.292 31.075 29.700 0.139 0.000 0.989 2589 E HN 0.675 nan 8.360 nan 0.000 0.432 2590 S N 2.608 118.208 115.700 -0.168 0.000 2.365 2590 S HA -0.148 4.322 4.470 -0.000 0.000 0.225 2590 S C -0.974 173.706 174.600 0.133 0.000 1.039 2590 S CA 1.455 59.486 58.200 -0.282 0.000 1.033 2590 S CB -1.048 61.967 63.200 -0.308 0.000 0.887 2590 S HN 0.483 nan 8.310 nan 0.000 0.447 2591 P HA -0.188 nan 4.420 nan 0.000 0.214 2591 P C 1.177 178.576 177.300 0.165 0.000 1.172 2591 P CA 1.510 64.728 63.100 0.196 0.000 0.925 2591 P CB -0.120 31.685 31.700 0.176 0.000 0.793 2592 E N -1.865 118.415 120.200 0.133 0.000 2.072 2592 E HA -0.193 4.157 4.350 -0.000 0.000 0.190 2592 E C 2.279 178.936 176.600 0.094 0.000 0.982 2592 E CA 0.682 57.144 56.400 0.103 0.000 0.803 2592 E CB -0.654 29.102 29.700 0.094 0.000 0.755 2592 E HN 0.253 nan 8.360 nan 0.000 0.453 2593 Y N 0.506 120.778 120.300 -0.047 0.000 2.128 2593 Y HA -0.265 4.285 4.550 0.000 0.000 0.284 2593 Y C 1.749 177.531 175.900 -0.197 0.000 1.154 2593 Y CA 1.699 59.707 58.100 -0.153 0.000 1.149 2593 Y CB -0.309 37.998 38.460 -0.256 0.000 0.976 2593 Y HN -0.039 nan 8.280 nan 0.000 0.505 2594 F N 0.217 120.170 119.950 0.005 0.000 2.456 2594 F HA -0.035 4.492 4.527 -0.000 0.000 0.298 2594 F C 2.436 178.200 175.800 -0.059 0.000 1.104 2594 F CA 1.153 59.110 58.000 -0.072 0.000 1.435 2594 F CB -0.238 38.745 39.000 -0.029 0.000 1.078 2594 F HN -0.049 nan 8.300 nan 0.000 0.546 2595 K N 0.480 120.952 120.400 0.121 0.000 2.097 2595 K HA -0.186 4.133 4.320 -0.000 0.000 0.206 2595 K C 1.235 177.845 176.600 0.017 0.000 1.049 2595 K CA 1.969 58.299 56.287 0.071 0.000 0.933 2595 K CB -0.035 32.496 32.500 0.053 0.000 0.717 2595 K HN 0.153 nan 8.250 nan 0.000 0.442 2596 D N -0.088 120.285 120.400 -0.045 0.000 2.277 2596 D HA -0.061 4.579 4.640 -0.000 0.000 0.209 2596 D C 1.724 177.968 176.300 -0.095 0.000 0.970 2596 D CA 0.551 54.510 54.000 -0.068 0.000 0.874 2596 D CB 0.131 40.879 40.800 -0.086 0.000 0.982 2596 D HN 0.074 nan 8.370 nan 0.000 0.504 2597 K N 0.961 121.252 120.400 -0.181 0.000 2.031 2597 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 2597 K C 2.231 178.827 176.600 -0.007 0.000 1.049 2597 K CA 0.752 56.929 56.287 -0.183 0.000 0.939 2597 K CB -0.647 31.584 32.500 -0.448 0.000 0.717 2597 K HN 0.304 nan 8.250 nan 0.000 0.438 2598 c N 0.813 119.465 118.600 0.087 0.000 2.539 2598 c HA 0.207 4.777 4.570 -0.000 0.000 0.271 2598 c C -0.072 174.081 174.090 0.106 0.000 1.412 2598 c CA -0.492 55.929 56.329 0.153 0.000 1.729 2598 c CB -2.073 40.575 42.510 0.230 0.000 1.739 2598 c HN 0.534 nan 8.230 nan 0.000 0.570 2599 N N 0.843 119.576 118.700 0.055 0.000 2.727 2599 N HA -0.010 4.730 4.740 -0.000 0.000 0.251 2599 N C 0.685 176.222 175.510 0.044 0.000 1.040 2599 N CA 0.552 53.625 53.050 0.037 0.000 0.712 2599 N CB -1.305 37.200 38.487 0.031 0.000 0.912 2599 N HN 1.118 nan 8.380 nan 0.000 0.545 2600 G N 1.030 109.857 108.800 0.044 0.000 1.929 2600 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.219 2600 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.219 2600 G C -0.161 174.764 174.900 0.042 0.000 2.200 2600 G CA -0.085 45.037 45.100 0.035 0.000 1.552 2600 G HN 0.517 nan 8.290 nan 0.000 0.498 2601 E N 0.842 121.065 120.200 0.039 0.000 2.528 2601 E HA 0.350 4.700 4.350 -0.000 0.000 0.237 2601 E C 0.750 177.373 176.600 0.038 0.000 1.408 2601 E CA 0.360 56.775 56.400 0.025 0.000 1.571 2601 E CB -0.613 29.085 29.700 -0.002 0.000 1.395 2601 E HN 1.240 nan 8.360 nan 0.000 0.438 2602 c N -0.509 118.133 118.600 0.071 0.000 3.236 2602 c HA 0.438 5.008 4.570 -0.000 0.000 0.208 2602 c C 0.955 175.121 174.090 0.127 0.000 1.879 2602 c CA -0.253 56.133 56.329 0.094 0.000 1.262 2602 c CB -0.795 41.772 42.510 0.095 0.000 2.186 2602 c HN 0.314 nan 8.230 nan 0.000 0.552 2603 S N -1.664 114.101 115.700 0.109 0.000 2.568 2603 S HA 0.102 4.572 4.470 -0.000 0.000 0.232 2603 S C 1.176 175.846 174.600 0.117 0.000 0.975 2603 S CA 0.524 58.782 58.200 0.098 0.000 0.949 2603 S CB -0.872 62.352 63.200 0.041 0.000 0.829 2603 S HN 0.771 nan 8.310 nan 0.000 0.479 2604 c N 1.368 120.098 118.600 0.216 0.000 2.429 2604 c HA 0.064 4.634 4.570 -0.000 0.000 0.277 2604 c C 2.481 176.835 174.090 0.440 0.000 1.262 2604 c CA 0.096 56.659 56.329 0.390 0.000 1.733 2604 c CB -1.436 41.392 42.510 0.531 0.000 2.010 2604 c HN 0.499 nan 8.230 nan 0.000 0.483 2605 L N 0.939 122.374 121.223 0.353 0.000 2.127 2605 L HA -0.130 4.209 4.340 -0.000 0.000 0.211 2605 L C 2.697 179.694 176.870 0.213 0.000 1.089 2605 L CA 1.835 56.844 54.840 0.281 0.000 0.757 2605 L CB -1.437 40.752 42.059 0.217 0.000 0.899 2605 L HN 0.424 nan 8.230 nan 0.000 0.434 2606 S N -1.329 114.459 115.700 0.147 0.000 2.388 2606 S HA -0.106 4.363 4.470 -0.000 0.000 0.223 2606 S C 1.799 176.397 174.600 -0.002 0.000 1.034 2606 S CA 0.703 58.950 58.200 0.078 0.000 0.963 2606 S CB 0.336 63.572 63.200 0.059 0.000 0.827 2606 S HN 0.429 nan 8.310 nan 0.000 0.481 2607 E N -0.679 119.474 120.200 -0.078 0.000 2.004 2607 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 2607 E C 1.684 178.085 176.600 -0.331 0.000 0.985 2607 E CA 1.328 57.551 56.400 -0.295 0.000 0.832 2607 E CB -0.251 29.111 29.700 -0.563 0.000 0.787 2607 E HN 0.613 nan 8.360 nan 0.000 0.466 2608 Y N -1.038 119.170 120.300 -0.152 0.000 2.314 2608 Y HA 0.015 4.565 4.550 -0.000 0.000 0.294 2608 Y C 1.188 176.716 175.900 -0.620 0.000 1.119 2608 Y CA 0.586 58.414 58.100 -0.452 0.000 1.179 2608 Y CB 0.130 38.153 38.460 -0.728 0.000 1.025 2608 Y HN 0.046 nan 8.280 nan 0.000 0.541 2609 F N -0.010 119.913 119.950 -0.046 0.000 2.983 2609 F HA 0.323 4.850 4.527 -0.000 0.000 0.307 2609 F C 1.525 177.275 175.800 -0.082 0.000 1.218 2609 F CA -0.714 57.133 58.000 -0.254 0.000 1.323 2609 F CB 0.185 38.794 39.000 -0.653 0.000 0.989 2609 F HN -0.208 nan 8.300 nan 0.000 0.509 2610 K N 0.670 121.113 120.400 0.071 0.000 2.001 2610 K HA -0.122 4.198 4.320 -0.000 0.000 0.208 2610 K C 0.521 177.202 176.600 0.136 0.000 1.048 2610 K CA 1.339 57.686 56.287 0.099 0.000 0.932 2610 K CB -0.122 32.404 32.500 0.044 0.000 0.715 2610 K HN 0.180 nan 8.250 nan 0.000 0.437 2611 D N -0.464 120.001 120.400 0.108 0.000 2.313 2611 D HA 0.030 4.670 4.640 -0.000 0.000 0.247 2611 D C 0.605 177.035 176.300 0.217 0.000 1.094 2611 D CA 0.018 54.099 54.000 0.136 0.000 0.925 2611 D CB 1.460 42.315 40.800 0.091 0.000 1.188 2611 D HN 0.133 nan 8.370 nan 0.000 0.430 2612 E N 0.285 120.628 120.200 0.239 0.000 2.107 2612 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 2612 E C 1.555 178.344 176.600 0.316 0.000 0.982 2612 E CA 1.085 57.680 56.400 0.324 0.000 0.809 2612 E CB -0.169 29.667 29.700 0.226 0.000 0.756 2612 E HN 0.444 nan 8.360 nan 0.000 0.459 2613 T N -0.729 113.948 114.554 0.205 0.000 3.113 2613 T HA 0.002 4.352 4.350 -0.000 0.000 0.263 2613 T C 1.409 176.210 174.700 0.168 0.000 1.143 2613 T CA 0.571 62.773 62.100 0.171 0.000 1.090 2613 T CB -0.150 68.788 68.868 0.115 0.000 0.922 2613 T HN 0.118 nan 8.240 nan 0.000 0.521 2614 R N -0.915 119.681 120.500 0.159 0.000 2.193 2614 R HA 0.028 4.368 4.340 -0.000 0.000 0.213 2614 R C 1.787 178.155 176.300 0.113 0.000 1.055 2614 R CA 0.950 57.091 56.100 0.068 0.000 0.995 2614 R CB -0.153 30.121 30.300 -0.044 0.000 0.893 2614 R HN 0.499 nan 8.270 nan 0.000 0.459 2615 W N 1.560 122.983 121.300 0.205 0.000 2.425 2615 W HA -0.045 4.615 4.660 0.000 0.000 0.277 2615 W C 1.960 178.543 176.519 0.107 0.000 1.231 2615 W CA 0.720 58.179 57.345 0.189 0.000 1.248 2615 W CB 0.127 29.649 29.460 0.102 0.000 1.117 2615 W HN -0.010 nan 8.180 nan 0.000 0.568 2616 K N -0.108 120.470 120.400 0.297 0.000 2.057 2616 K HA -0.116 4.204 4.320 -0.000 0.000 0.207 2616 K C -0.089 176.589 176.600 0.130 0.000 1.049 2616 K CA 1.048 57.444 56.287 0.182 0.000 0.931 2616 K CB -0.452 32.134 32.500 0.144 0.000 0.714 2616 K HN 0.054 nan 8.250 nan 0.000 0.440 2617 N N 1.172 119.941 118.700 0.115 0.000 2.621 2617 N HA 0.124 4.864 4.740 -0.000 0.000 0.237 2617 N C -2.449 173.084 175.510 0.037 0.000 0.997 2617 N CA -1.404 51.693 53.050 0.079 0.000 0.918 2617 N CB 1.571 40.117 38.487 0.099 0.000 1.122 2617 N HN -0.108 nan 8.380 nan 0.000 0.510 2618 P HA -0.008 nan 4.420 nan 0.000 0.247 2618 P C -0.138 177.122 177.300 -0.068 0.000 1.225 2618 P CA 0.767 63.818 63.100 -0.081 0.000 0.768 2618 P CB 0.124 31.690 31.700 -0.224 0.000 1.020 2619 Y N 0.091 120.473 120.300 0.137 0.000 2.558 2619 Y HA 0.091 4.641 4.550 -0.000 0.000 0.273 2619 Y C 1.834 177.752 175.900 0.031 0.000 1.100 2619 Y CA 0.037 58.184 58.100 0.079 0.000 1.276 2619 Y CB -0.572 37.921 38.460 0.056 0.000 1.196 2619 Y HN 0.066 nan 8.280 nan 0.000 0.527 2620 E N -1.031 119.270 120.200 0.169 0.000 2.403 2620 E HA 0.017 4.367 4.350 -0.000 0.000 0.187 2620 E C 1.159 177.778 176.600 0.032 0.000 1.073 2620 E CA 0.724 57.176 56.400 0.087 0.000 0.888 2620 E CB -0.012 29.732 29.700 0.072 0.000 1.035 2620 E HN 0.145 nan 8.360 nan 0.000 0.471 2621 T N 0.968 115.527 114.554 0.007 0.000 3.040 2621 T HA 0.105 4.455 4.350 -0.000 0.000 0.252 2621 T C 0.739 175.398 174.700 -0.067 0.000 1.064 2621 T CA -0.271 61.766 62.100 -0.106 0.000 1.110 2621 T CB -0.149 68.530 68.868 -0.315 0.000 0.921 2621 T HN 0.316 nan 8.240 nan 0.000 0.480 2622 L N 0.789 122.016 121.223 0.007 0.000 2.331 2622 L HA 0.540 4.880 4.340 -0.000 0.000 0.278 2622 L C 0.690 177.623 176.870 0.105 0.000 1.106 2622 L CA -0.683 54.201 54.840 0.074 0.000 0.824 2622 L CB 0.659 42.772 42.059 0.091 0.000 1.142 2622 L HN -0.166 nan 8.230 nan 0.000 0.443 2623 D N 1.989 122.474 120.400 0.142 0.000 2.084 2623 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 2623 D C 0.265 176.616 176.300 0.085 0.000 0.981 2623 D CA 1.494 55.560 54.000 0.110 0.000 0.841 2623 D CB -0.309 40.558 40.800 0.112 0.000 0.997 2623 D HN 0.960 nan 8.370 nan 0.000 0.454 2624 D N -0.301 120.165 120.400 0.110 0.000 2.443 2624 D HA 0.008 4.648 4.640 -0.000 0.000 0.239 2624 D C 0.647 176.964 176.300 0.028 0.000 1.136 2624 D CA 0.198 54.237 54.000 0.065 0.000 0.879 2624 D CB 0.766 41.611 40.800 0.076 0.000 1.195 2624 D HN -0.121 nan 8.370 nan 0.000 0.443 2625 T N 0.623 115.183 114.554 0.010 0.000 3.035 2625 T HA -0.113 4.237 4.350 -0.000 0.000 0.268 2625 T C 1.415 176.100 174.700 -0.025 0.000 1.109 2625 T CA 0.929 63.025 62.100 -0.006 0.000 1.119 2625 T CB -0.235 68.629 68.868 -0.005 0.000 0.900 2625 T HN 0.581 nan 8.240 nan 0.000 0.503 2626 E N 1.507 121.691 120.200 -0.026 0.000 2.110 2626 E HA -0.107 4.243 4.350 -0.000 0.000 0.193 2626 E C 2.034 178.590 176.600 -0.072 0.000 0.988 2626 E CA 1.291 57.665 56.400 -0.043 0.000 0.804 2626 E CB -0.071 29.607 29.700 -0.035 0.000 0.745 2626 E HN 0.518 nan 8.360 nan 0.000 0.458 2627 V N -1.974 117.882 119.914 -0.097 0.000 3.635 2627 V HA 0.197 4.317 4.120 -0.000 0.000 0.266 2627 V C 1.760 177.761 176.094 -0.155 0.000 1.316 2627 V CA 0.664 62.874 62.300 -0.150 0.000 1.060 2627 V CB 0.009 31.689 31.823 -0.239 0.000 0.820 2627 V HN 0.210 nan 8.190 nan 0.000 0.447 2628 K N 0.885 121.218 120.400 -0.113 0.000 2.305 2628 K HA 0.128 4.447 4.320 -0.000 0.000 0.199 2628 K C 1.601 178.124 176.600 -0.129 0.000 1.047 2628 K CA 1.406 57.632 56.287 -0.101 0.000 0.976 2628 K CB -0.514 31.973 32.500 -0.021 0.000 0.765 2628 K HN 0.439 nan 8.250 nan 0.000 0.474 2629 N N 1.265 119.906 118.700 -0.099 0.000 2.331 2629 N HA -0.089 4.651 4.740 -0.000 0.000 0.180 2629 N C 0.599 176.043 175.510 -0.110 0.000 1.019 2629 N CA 1.425 54.423 53.050 -0.088 0.000 0.881 2629 N CB -0.117 38.335 38.487 -0.059 0.000 0.972 2629 N HN 0.508 nan 8.380 nan 0.000 0.435 2630 N N 0.113 118.738 118.700 -0.125 0.000 2.373 2630 N HA 0.045 4.785 4.740 -0.000 0.000 0.181 2630 N C 1.385 176.788 175.510 -0.177 0.000 1.082 2630 N CA 0.191 53.166 53.050 -0.126 0.000 0.885 2630 N CB -0.497 37.930 38.487 -0.099 0.000 0.977 2630 N HN 0.099 nan 8.380 nan 0.000 0.462 2631 c N 0.179 118.618 118.600 -0.269 0.000 2.475 2631 c HA 0.210 4.780 4.570 -0.000 0.000 0.279 2631 c C 1.752 175.532 174.090 -0.518 0.000 1.322 2631 c CA 0.281 56.332 56.329 -0.464 0.000 1.734 2631 c CB -0.797 41.256 42.510 -0.761 0.000 2.005 2631 c HN 0.445 nan 8.230 nan 0.000 0.495 2632 M N 0.109 119.478 119.600 -0.385 0.000 2.719 2632 M HA 0.113 4.593 4.480 -0.000 0.000 0.247 2632 M C 0.126 176.348 176.300 -0.129 0.000 1.287 2632 M CA 0.033 55.194 55.300 -0.232 0.000 1.004 2632 M CB -0.091 32.423 32.600 -0.144 0.000 1.514 2632 M HN 0.327 nan 8.290 nan 0.000 0.462 2633 C N 3.127 122.349 119.300 -0.129 0.000 2.218 2633 C HA 0.262 4.721 4.460 -0.000 0.000 0.353 2633 C C 0.814 175.771 174.990 -0.055 0.000 1.070 2633 C CA -0.149 58.821 59.018 -0.080 0.000 1.497 2633 C CB -1.791 25.902 27.740 -0.078 0.000 1.951 2633 C HN 0.769 nan 8.230 nan 0.000 0.493 2634 K N 0.000 120.377 120.400 -0.038 0.000 2.780 2634 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 2634 K CA 0.000 56.275 56.287 -0.021 0.000 0.838 2634 K CB 0.000 32.490 32.500 -0.017 0.000 1.064 2634 K HN 0.000 nan 8.250 nan 0.000 0.543