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 1ux4_1_B DATA FIRST_RESID 2352 DATA SEQUENCE PRPHKKLKQL HWEKLDCTDN SIWGTGKAEK FADDLYEKGV LADLEKAFAA DATA SEQUENCE REIKSLASKE FXXXXKITFL SRDISQQFGI NLHMYSSLSV ADLVKKILNC DATA SEQUENCE DRDFLQTPSV VEFLSKSEII EVSVNLARNY APYSTDWEGV RNLEDAKPPE DATA SEQUENCE KDPNDLQRAD QIYLQLMVNL ESYWGSRMRA LTVVTSYERE YNELLAKLRK DATA SEQUENCE VDKAVSALQE SDNLRNVFNV ILAVGNFMND TSKQAQGFKL STLQRLTFIK DATA SEQUENCE DTTNSMTFLN YVEKIVRLNY PSFNDFLSEL EPVLDVVKVS IEQLVNDCKD DATA SEQUENCE FSQSIVNVER SVEIGNLSDS SKFHPLDKVL IKTLPVLPEA RKKGDLLEDE DATA SEQUENCE VKLTIMEFES LMHTYGEDSG DKFAKISFFK KFADFINEYK KAQAQNLAAE DATA SEQUENCE EEERLYIKHK KIVE 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 2352 P HA 0.000 nan 4.420 nan 0.000 0.216 2352 P C 0.000 177.220 177.300 -0.133 0.000 1.155 2352 P CA 0.000 63.051 63.100 -0.081 0.000 0.800 2352 P CB 0.000 31.661 31.700 -0.065 0.000 0.726 2353 R N 1.459 121.848 120.500 -0.186 0.000 2.771 2353 R HA 0.582 4.921 4.340 -0.001 0.000 0.274 2353 R C -1.925 174.255 176.300 -0.200 0.000 0.987 2353 R CA -1.459 54.547 56.100 -0.157 0.000 0.908 2353 R CB 0.627 30.868 30.300 -0.098 0.000 1.213 2353 R HN 0.336 nan 8.270 nan 0.000 0.468 2354 P HA 0.010 nan 4.420 nan 0.000 0.206 2354 P C 0.308 177.634 177.300 0.042 0.000 1.093 2354 P CA 1.071 64.124 63.100 -0.079 0.000 0.703 2354 P CB 0.823 32.497 31.700 -0.043 0.000 0.622 2355 H N -2.831 116.205 119.070 -0.056 0.000 2.111 2355 H HA 0.221 4.777 4.556 -0.001 0.000 0.140 2355 H C 0.189 175.502 175.328 -0.025 0.000 0.997 2355 H CA 0.029 56.058 56.048 -0.033 0.000 0.591 2355 H CB 0.905 30.659 29.762 -0.014 0.000 0.517 2355 H HN 0.137 nan 8.280 nan 0.000 0.374 2356 K N 0.919 121.361 120.400 0.070 0.000 2.263 2356 K HA 0.379 4.699 4.320 -0.001 0.000 0.249 2356 K C -0.485 176.112 176.600 -0.005 0.000 1.076 2356 K CA -1.047 55.260 56.287 0.034 0.000 0.884 2356 K CB 1.818 34.362 32.500 0.074 0.000 1.394 2356 K HN -0.173 nan 8.250 nan 0.000 0.476 2357 K N 2.182 122.577 120.400 -0.008 0.000 2.349 2357 K HA 0.255 4.575 4.320 -0.001 0.000 0.289 2357 K C -0.142 176.450 176.600 -0.013 0.000 1.064 2357 K CA 0.159 56.434 56.287 -0.022 0.000 0.947 2357 K CB -0.189 32.298 32.500 -0.022 0.000 1.007 2357 K HN 0.402 nan 8.250 nan 0.000 0.478 2358 L N 1.912 123.119 121.223 -0.027 0.000 2.331 2358 L HA 0.376 4.716 4.340 -0.001 0.000 0.268 2358 L C 0.678 177.521 176.870 -0.045 0.000 1.015 2358 L CA -1.069 53.759 54.840 -0.019 0.000 0.807 2358 L CB 0.953 42.992 42.059 -0.033 0.000 1.293 2358 L HN 0.321 nan 8.230 nan 0.000 0.451 2359 K N 2.062 122.441 120.400 -0.035 0.000 2.402 2359 K HA 0.061 4.380 4.320 -0.001 0.000 0.285 2359 K C -0.526 175.989 176.600 -0.143 0.000 1.054 2359 K CA -0.316 55.932 56.287 -0.064 0.000 1.001 2359 K CB 0.358 32.833 32.500 -0.042 0.000 0.946 2359 K HN 0.323 nan 8.250 nan 0.000 0.473 2360 Q N 2.235 121.952 119.800 -0.139 0.000 2.327 2360 Q HA 0.115 4.455 4.340 -0.001 0.000 0.254 2360 Q C -0.335 175.513 176.000 -0.252 0.000 0.952 2360 Q CA -0.399 55.271 55.803 -0.221 0.000 0.884 2360 Q CB 0.934 29.530 28.738 -0.237 0.000 1.224 2360 Q HN 0.328 nan 8.270 nan 0.000 0.422 2361 L N 3.503 124.500 121.223 -0.377 0.000 2.275 2361 L HA 0.215 4.555 4.340 -0.001 0.000 0.288 2361 L C -0.806 175.840 176.870 -0.373 0.000 1.046 2361 L CA -0.327 54.280 54.840 -0.390 0.000 0.805 2361 L CB 0.557 42.215 42.059 -0.668 0.000 1.193 2361 L HN 0.475 nan 8.230 nan 0.000 0.426 2362 H N 5.449 124.407 119.070 -0.188 0.000 2.846 2362 H HA 0.456 5.011 4.556 -0.001 0.000 0.278 2362 H C -0.870 174.530 175.328 0.121 0.000 1.117 2362 H CA -0.058 55.978 56.048 -0.021 0.000 1.406 2362 H CB 0.048 29.800 29.762 -0.017 0.000 1.445 2362 H HN 0.570 nan 8.280 nan 0.000 0.469 2363 W N 1.234 122.549 121.300 0.025 0.000 3.075 2363 W HA 0.507 5.166 4.660 -0.001 0.000 0.334 2363 W C -1.204 175.315 176.519 -0.001 0.000 1.243 2363 W CA -1.514 55.837 57.345 0.010 0.000 1.170 2363 W CB 0.651 30.098 29.460 -0.022 0.000 1.452 2363 W HN 0.340 nan 8.180 nan 0.000 0.572 2364 E N 2.319 122.577 120.200 0.098 0.000 2.055 2364 E HA 0.205 4.555 4.350 -0.001 0.000 0.274 2364 E C 0.041 176.455 176.600 -0.310 0.000 0.949 2364 E CA -0.613 55.742 56.400 -0.076 0.000 0.775 2364 E CB 1.466 31.170 29.700 0.007 0.000 1.097 2364 E HN 0.389 nan 8.360 nan 0.000 0.404 2365 K N 1.751 121.865 120.400 -0.476 0.000 2.098 2365 K HA 0.373 4.693 4.320 -0.001 0.000 0.244 2365 K C -0.343 176.055 176.600 -0.337 0.000 1.014 2365 K CA -0.816 55.107 56.287 -0.608 0.000 0.917 2365 K CB 0.791 32.871 32.500 -0.701 0.000 1.072 2365 K HN 0.171 nan 8.250 nan 0.000 0.477 2366 L N 3.404 124.426 121.223 -0.335 0.000 2.352 2366 L HA 0.069 4.409 4.340 -0.001 0.000 0.272 2366 L C 0.345 177.112 176.870 -0.171 0.000 1.109 2366 L CA 0.456 55.187 54.840 -0.181 0.000 0.952 2366 L CB -0.035 41.963 42.059 -0.102 0.000 1.314 2366 L HN 0.731 nan 8.230 nan 0.000 0.427 2367 D N 0.813 121.126 120.400 -0.145 0.000 6.235 2367 D HA -0.304 4.335 4.640 -0.001 0.000 0.293 2367 D C 0.235 176.471 176.300 -0.107 0.000 1.817 2367 D CA 1.816 55.745 54.000 -0.117 0.000 0.850 2367 D CB -0.093 40.657 40.800 -0.083 0.000 0.721 2367 D HN 0.448 nan 8.370 nan 0.000 0.899 2368 C N -0.360 118.890 119.300 -0.083 0.000 2.609 2368 C HA 0.284 4.744 4.460 -0.001 0.000 0.313 2368 C C -0.065 174.901 174.990 -0.039 0.000 1.175 2368 C CA -0.890 58.090 59.018 -0.063 0.000 1.434 2368 C CB 1.780 29.494 27.740 -0.042 0.000 2.005 2368 C HN 0.154 nan 8.230 nan 0.000 0.471 2369 T N 4.064 118.599 114.554 -0.031 0.000 2.596 2369 T HA -0.013 4.337 4.350 -0.001 0.000 0.252 2369 T C 0.330 175.063 174.700 0.055 0.000 1.033 2369 T CA 1.171 63.289 62.100 0.030 0.000 1.215 2369 T CB -0.219 68.676 68.868 0.045 0.000 1.011 2369 T HN 0.615 nan 8.240 nan 0.000 0.498 2370 D N 2.608 123.065 120.400 0.095 0.000 2.539 2370 D HA 0.168 4.808 4.640 -0.001 0.000 0.280 2370 D C 0.412 176.753 176.300 0.068 0.000 1.208 2370 D CA -0.695 53.346 54.000 0.069 0.000 1.088 2370 D CB 0.385 41.223 40.800 0.064 0.000 1.149 2370 D HN 0.376 nan 8.370 nan 0.000 0.596 2371 N N -0.250 118.473 118.700 0.039 0.000 2.971 2371 N HA 0.160 4.900 4.740 -0.001 0.000 0.294 2371 N C -0.616 174.896 175.510 0.004 0.000 1.210 2371 N CA 0.070 53.132 53.050 0.019 0.000 1.157 2371 N CB 0.361 38.852 38.487 0.007 0.000 1.450 2371 N HN 0.075 nan 8.380 nan 0.000 0.527 2372 S N -0.303 115.399 115.700 0.004 0.000 3.605 2372 S HA 0.399 4.869 4.470 -0.001 0.000 0.301 2372 S C 1.134 175.639 174.600 -0.159 0.000 1.083 2372 S CA -0.847 57.304 58.200 -0.082 0.000 1.109 2372 S CB 0.278 63.425 63.200 -0.089 0.000 1.364 2372 S HN 0.434 nan 8.310 nan 0.000 0.758 2373 I N -1.624 118.708 120.570 -0.397 0.000 3.684 2373 I HA 0.327 4.497 4.170 -0.001 0.000 0.304 2373 I C -0.551 175.333 176.117 -0.389 0.000 1.278 2373 I CA -0.045 60.978 61.300 -0.462 0.000 1.272 2373 I CB -0.173 37.397 38.000 -0.718 0.000 1.029 2373 I HN 0.269 nan 8.210 nan 0.000 0.458 2374 W N 1.090 122.391 121.300 0.001 0.000 2.516 2374 W HA 0.628 5.287 4.660 -0.001 0.000 0.343 2374 W C 1.110 177.628 176.519 -0.001 0.000 1.094 2374 W CA -0.020 57.324 57.345 -0.001 0.000 1.250 2374 W CB 1.439 30.887 29.460 -0.020 0.000 1.308 2374 W HN 0.099 nan 8.180 nan 0.000 0.588 2375 G N -0.620 108.348 108.800 0.281 0.000 2.612 2375 G HA2 -0.391 3.568 3.960 -0.001 0.000 0.200 2375 G HA3 -0.391 3.568 3.960 -0.001 0.000 0.200 2375 G C 1.142 176.108 174.900 0.111 0.000 1.053 2375 G CA 0.383 45.571 45.100 0.146 0.000 0.707 2375 G HN 0.611 nan 8.290 nan 0.000 0.497 2376 T N -0.618 114.005 114.554 0.115 0.000 2.653 2376 T HA 0.115 4.465 4.350 -0.001 0.000 0.267 2376 T C 2.950 177.693 174.700 0.072 0.000 1.037 2376 T CA 3.008 65.156 62.100 0.081 0.000 1.159 2376 T CB -0.859 68.060 68.868 0.085 0.000 0.859 2376 T HN 2.539 nan 8.240 nan 0.000 0.449 2377 G N 0.882 109.744 108.800 0.104 0.000 2.179 2377 G HA2 -0.247 3.713 3.960 -0.001 0.000 0.220 2377 G HA3 -0.247 3.713 3.960 -0.001 0.000 0.220 2377 G C 0.731 175.677 174.900 0.078 0.000 0.990 2377 G CA 0.410 45.556 45.100 0.078 0.000 0.646 2377 G HN 0.597 nan 8.290 nan 0.000 0.517 2378 K N 0.581 121.040 120.400 0.098 0.000 2.442 2378 K HA 0.275 4.594 4.320 -0.001 0.000 0.198 2378 K C 2.656 179.400 176.600 0.240 0.000 1.044 2378 K CA 0.940 57.265 56.287 0.064 0.000 0.948 2378 K CB -0.110 32.446 32.500 0.092 0.000 0.762 2378 K HN 0.551 nan 8.250 nan 0.000 0.472 2379 A N 1.226 124.195 122.820 0.249 0.000 2.070 2379 A HA -0.177 4.142 4.320 -0.001 0.000 0.220 2379 A C 1.595 179.300 177.584 0.201 0.000 1.159 2379 A CA 1.479 53.670 52.037 0.256 0.000 0.656 2379 A CB -0.094 19.001 19.000 0.159 0.000 0.800 2379 A HN 0.178 nan 8.150 nan 0.000 0.453 2380 E N -0.243 120.037 120.200 0.132 0.000 2.132 2380 E HA 0.069 4.418 4.350 -0.001 0.000 0.193 2380 E C 1.651 178.295 176.600 0.072 0.000 0.951 2380 E CA 0.763 57.219 56.400 0.092 0.000 0.843 2380 E CB -0.171 29.561 29.700 0.053 0.000 0.807 2380 E HN 0.531 nan 8.360 nan 0.000 0.467 2381 K N -0.305 120.092 120.400 -0.005 0.000 2.520 2381 K HA -0.089 4.231 4.320 -0.001 0.000 0.197 2381 K C 1.013 177.519 176.600 -0.157 0.000 1.043 2381 K CA 0.870 57.087 56.287 -0.117 0.000 0.944 2381 K CB -0.046 32.311 32.500 -0.239 0.000 0.770 2381 K HN 0.138 nan 8.250 nan 0.000 0.480 2382 F N -0.477 119.507 119.950 0.057 0.000 2.536 2382 F HA 0.100 4.627 4.527 -0.001 0.000 0.278 2382 F C 2.470 178.309 175.800 0.064 0.000 0.945 2382 F CA 0.056 58.093 58.000 0.060 0.000 1.244 2382 F CB -0.208 38.833 39.000 0.067 0.000 1.118 2382 F HN -0.083 nan 8.300 nan 0.000 0.725 2383 A N 0.916 123.900 122.820 0.273 0.000 1.894 2383 A HA -0.314 4.005 4.320 -0.001 0.000 0.220 2383 A C 1.710 179.393 177.584 0.165 0.000 1.237 2383 A CA 2.744 54.882 52.037 0.168 0.000 0.660 2383 A CB -1.125 17.944 19.000 0.115 0.000 0.835 2383 A HN 0.395 nan 8.150 nan 0.000 0.461 2384 D N -0.520 119.969 120.400 0.149 0.000 2.084 2384 D HA -0.133 4.506 4.640 -0.001 0.000 0.194 2384 D C 1.668 178.066 176.300 0.163 0.000 0.990 2384 D CA 1.449 55.544 54.000 0.159 0.000 0.826 2384 D CB -0.710 40.155 40.800 0.108 0.000 0.971 2384 D HN 0.497 nan 8.370 nan 0.000 0.453 2385 D N 0.272 120.752 120.400 0.135 0.000 2.203 2385 D HA -0.150 4.490 4.640 -0.001 0.000 0.199 2385 D C 1.903 178.289 176.300 0.144 0.000 0.997 2385 D CA 0.649 54.722 54.000 0.122 0.000 0.863 2385 D CB -0.174 40.702 40.800 0.127 0.000 0.928 2385 D HN 0.210 nan 8.370 nan 0.000 0.458 2386 L N -0.901 120.431 121.223 0.182 0.000 2.375 2386 L HA -0.069 4.271 4.340 -0.001 0.000 0.215 2386 L C 2.029 179.017 176.870 0.196 0.000 1.108 2386 L CA 0.210 55.149 54.840 0.164 0.000 0.830 2386 L CB -0.211 41.938 42.059 0.150 0.000 0.959 2386 L HN 0.081 nan 8.230 nan 0.000 0.457 2387 Y N 1.052 121.385 120.300 0.055 0.000 2.243 2387 Y HA -0.112 4.437 4.550 -0.001 0.000 0.293 2387 Y C 2.364 178.284 175.900 0.035 0.000 1.124 2387 Y CA 1.048 59.173 58.100 0.041 0.000 1.159 2387 Y CB -0.020 38.464 38.460 0.039 0.000 1.008 2387 Y HN 0.149 nan 8.280 nan 0.000 0.527 2388 E N 0.254 120.415 120.200 -0.065 0.000 2.051 2388 E HA -0.210 4.140 4.350 -0.001 0.000 0.192 2388 E C 1.739 178.270 176.600 -0.114 0.000 0.991 2388 E CA 1.358 57.660 56.400 -0.162 0.000 0.799 2388 E CB -0.158 29.508 29.700 -0.056 0.000 0.748 2388 E HN 0.419 nan 8.360 nan 0.000 0.449 2389 K N -0.326 120.058 120.400 -0.026 0.000 2.574 2389 K HA -0.037 4.282 4.320 -0.001 0.000 0.193 2389 K C 1.306 177.900 176.600 -0.009 0.000 1.035 2389 K CA 0.412 56.694 56.287 -0.007 0.000 0.982 2389 K CB 0.134 32.653 32.500 0.031 0.000 0.795 2389 K HN 0.305 nan 8.250 nan 0.000 0.491 2390 G N 0.600 109.380 108.800 -0.033 0.000 2.562 2390 G HA2 -0.413 3.546 3.960 -0.001 0.000 0.241 2390 G HA3 -0.413 3.546 3.960 -0.001 0.000 0.241 2390 G C 1.188 176.130 174.900 0.071 0.000 1.120 2390 G CA 0.556 45.654 45.100 -0.004 0.000 0.673 2390 G HN 0.128 nan 8.290 nan 0.000 0.519 2391 V N 1.696 121.647 119.914 0.061 0.000 2.257 2391 V HA -0.372 3.747 4.120 -0.001 0.000 0.257 2391 V C 2.778 178.930 176.094 0.096 0.000 1.077 2391 V CA 3.009 65.350 62.300 0.068 0.000 1.063 2391 V CB -0.847 31.014 31.823 0.062 0.000 0.664 2391 V HN 0.623 nan 8.190 nan 0.000 0.450 2392 L N -0.221 121.081 121.223 0.131 0.000 1.978 2392 L HA -0.308 4.032 4.340 -0.001 0.000 0.218 2392 L C 2.632 179.589 176.870 0.146 0.000 1.075 2392 L CA 2.354 57.279 54.840 0.142 0.000 0.767 2392 L CB -0.764 41.410 42.059 0.191 0.000 0.890 2392 L HN 0.401 nan 8.230 nan 0.000 0.434 2393 A N -0.169 122.783 122.820 0.220 0.000 1.929 2393 A HA -0.385 3.935 4.320 -0.001 0.000 0.221 2393 A C 1.868 179.518 177.584 0.109 0.000 1.211 2393 A CA 2.463 54.616 52.037 0.194 0.000 0.657 2393 A CB -1.122 18.007 19.000 0.215 0.000 0.827 2393 A HN 0.674 nan 8.150 nan 0.000 0.462 2394 D N -0.133 120.318 120.400 0.086 0.000 2.126 2394 D HA -0.204 4.435 4.640 -0.001 0.000 0.190 2394 D C 1.905 178.244 176.300 0.064 0.000 1.001 2394 D CA 1.789 55.821 54.000 0.054 0.000 0.841 2394 D CB -0.459 40.366 40.800 0.042 0.000 0.949 2394 D HN 0.542 nan 8.370 nan 0.000 0.446 2395 L N 1.035 122.323 121.223 0.108 0.000 2.187 2395 L HA -0.174 4.165 4.340 -0.001 0.000 0.213 2395 L C 2.268 179.242 176.870 0.175 0.000 1.100 2395 L CA 0.965 55.923 54.840 0.196 0.000 0.765 2395 L CB -0.511 41.660 42.059 0.187 0.000 0.904 2395 L HN 0.044 nan 8.230 nan 0.000 0.437 2396 E N 0.337 120.596 120.200 0.100 0.000 2.267 2396 E HA -0.133 4.216 4.350 -0.001 0.000 0.197 2396 E C 0.552 177.194 176.600 0.069 0.000 0.998 2396 E CA 0.894 57.337 56.400 0.072 0.000 0.830 2396 E CB 0.114 29.848 29.700 0.055 0.000 0.751 2396 E HN 0.553 nan 8.360 nan 0.000 0.491 2397 K N -1.650 118.782 120.400 0.053 0.000 2.354 2397 K HA 0.562 4.882 4.320 -0.001 0.000 0.238 2397 K C 0.575 177.142 176.600 -0.056 0.000 1.068 2397 K CA -0.053 56.237 56.287 0.004 0.000 0.925 2397 K CB 1.226 33.717 32.500 -0.016 0.000 1.286 2397 K HN -0.102 nan 8.250 nan 0.000 0.500 2398 A N -0.173 122.556 122.820 -0.152 0.000 4.284 2398 A HA -0.230 4.089 4.320 -0.001 0.000 0.264 2398 A C -0.078 177.153 177.584 -0.588 0.000 0.856 2398 A CA 1.675 53.482 52.037 -0.382 0.000 1.165 2398 A CB -1.980 16.729 19.000 -0.485 0.000 1.059 2398 A HN 0.506 nan 8.150 nan 0.000 0.803 2399 F N -0.951 118.981 119.950 -0.030 0.000 2.659 2399 F HA 0.643 5.170 4.527 -0.001 0.000 0.342 2399 F C 0.251 176.028 175.800 -0.038 0.000 1.168 2399 F CA 0.142 58.119 58.000 -0.039 0.000 1.003 2399 F CB 2.025 40.996 39.000 -0.049 0.000 1.267 2399 F HN 0.736 nan 8.300 nan 0.000 0.463 2400 A N 1.743 124.639 122.820 0.127 0.000 2.610 2400 A HA 0.875 5.194 4.320 -0.001 0.000 0.291 2400 A C -0.894 176.711 177.584 0.035 0.000 1.086 2400 A CA -0.530 51.544 52.037 0.062 0.000 0.677 2400 A CB 0.773 19.792 19.000 0.032 0.000 1.278 2400 A HN 0.890 nan 8.150 nan 0.000 0.414 2401 A N 0.649 123.478 122.820 0.015 0.000 2.433 2401 A HA 0.580 4.900 4.320 -0.001 0.000 0.250 2401 A C 0.543 178.125 177.584 -0.004 0.000 1.113 2401 A CA 0.184 52.221 52.037 0.001 0.000 0.794 2401 A CB 0.046 19.041 19.000 -0.008 0.000 1.067 2401 A HN 0.792 nan 8.150 nan 0.000 0.510 2402 R N -0.645 119.848 120.500 -0.012 0.000 2.944 2402 R HA 0.655 4.995 4.340 -0.001 0.000 0.233 2402 R C -0.154 176.137 176.300 -0.015 0.000 1.346 2402 R CA -0.509 55.582 56.100 -0.016 0.000 1.082 2402 R CB 0.624 30.910 30.300 -0.023 0.000 1.434 2402 R HN 0.928 nan 8.270 nan 0.000 0.510 2403 E N -0.255 119.935 120.200 -0.016 0.000 4.551 2403 E HA 0.402 4.751 4.350 -0.001 0.000 0.175 2403 E C -0.161 176.431 176.600 -0.013 0.000 1.154 2403 E CA -0.739 55.653 56.400 -0.013 0.000 0.860 2403 E CB 0.649 30.343 29.700 -0.011 0.000 2.083 2403 E HN 0.239 nan 8.360 nan 0.000 0.446 2404 I N 1.622 122.186 120.570 -0.011 0.000 2.575 2404 I HA 0.101 4.271 4.170 -0.001 0.000 0.285 2404 I C 0.845 176.955 176.117 -0.011 0.000 1.085 2404 I CA 0.786 62.080 61.300 -0.009 0.000 1.403 2404 I CB 0.630 38.626 38.000 -0.007 0.000 1.409 2404 I HN 0.500 nan 8.210 nan 0.000 0.557 2405 K N 3.111 123.505 120.400 -0.010 0.000 2.195 2405 K HA -0.007 4.313 4.320 -0.001 0.000 0.153 2405 K C 0.576 177.171 176.600 -0.007 0.000 1.989 2405 K CA 0.791 57.071 56.287 -0.012 0.000 1.067 2405 K CB 0.181 32.670 32.500 -0.018 0.000 1.964 2405 K HN 0.922 nan 8.250 nan 0.000 0.482 2406 S N 0.407 116.105 115.700 -0.003 0.000 2.970 2406 S HA -0.333 4.137 4.470 -0.001 0.000 0.626 2406 S C 0.996 175.600 174.600 0.005 0.000 3.107 2406 S CA 1.195 59.397 58.200 0.002 0.000 3.861 2406 S CB -1.185 62.017 63.200 0.003 0.000 0.359 2406 S HN 0.233 nan 8.310 nan 0.000 1.476 2407 L N 1.299 122.528 121.223 0.009 0.000 2.035 2407 L HA 0.477 4.817 4.340 -0.001 0.000 0.207 2407 L C 1.990 178.865 176.870 0.009 0.000 1.173 2407 L CA 0.415 55.263 54.840 0.013 0.000 0.852 2407 L CB -1.317 40.752 42.059 0.018 0.000 0.946 2407 L HN 1.816 nan 8.230 nan 0.000 0.483 2408 A N 0.927 123.755 122.820 0.013 0.000 2.648 2408 A HA -0.145 4.174 4.320 -0.001 0.000 0.297 2408 A C 0.716 178.312 177.584 0.019 0.000 1.467 2408 A CA 0.364 52.409 52.037 0.014 0.000 0.731 2408 A CB -2.244 16.760 19.000 0.006 0.000 1.085 2408 A HN 0.617 nan 8.150 nan 0.000 0.437 2409 S N 0.646 116.363 115.700 0.028 0.000 3.211 2409 S HA -0.022 4.447 4.470 -0.001 0.000 0.375 2409 S C 1.398 176.036 174.600 0.065 0.000 0.945 2409 S CA 0.459 58.683 58.200 0.040 0.000 1.951 2409 S CB 0.068 63.293 63.200 0.042 0.000 1.183 2409 S HN 0.633 nan 8.310 nan 0.000 0.649 2410 K N 2.803 123.231 120.400 0.047 0.000 2.206 2410 K HA -0.289 4.031 4.320 -0.001 0.000 0.211 2410 K C 1.164 177.965 176.600 0.335 0.000 1.047 2410 K CA 2.080 58.413 56.287 0.078 0.000 0.933 2410 K CB -0.548 31.860 32.500 -0.153 0.000 0.721 2410 K HN 0.968 nan 8.250 nan 0.000 0.471 2411 E N -3.117 117.246 120.200 0.272 0.000 4.289 2411 E HA -0.163 4.186 4.350 -0.001 0.000 0.375 2411 E C -0.287 176.439 176.600 0.211 0.000 0.624 2411 E CA 0.510 57.031 56.400 0.201 0.000 1.443 2411 E CB -1.229 28.553 29.700 0.136 0.000 1.807 2411 E HN 0.112 nan 8.360 nan 0.000 0.378 2418 I N 0.334 120.843 120.570 -0.102 0.000 3.133 2418 I HA 0.664 4.833 4.170 -0.001 0.000 0.311 2418 I C 0.059 176.003 176.117 -0.288 0.000 1.072 2418 I CA -0.621 60.538 61.300 -0.236 0.000 1.015 2418 I CB 2.071 39.827 38.000 -0.407 0.000 1.233 2418 I HN 0.447 nan 8.210 nan 0.000 0.473 2419 T N 1.562 115.872 114.554 -0.408 0.000 3.193 2419 T HA 0.416 4.765 4.350 -0.001 0.000 0.332 2419 T C -0.321 174.164 174.700 -0.359 0.000 1.208 2419 T CA -0.203 61.735 62.100 -0.270 0.000 1.080 2419 T CB 0.816 69.612 68.868 -0.121 0.000 1.180 2419 T HN 0.296 nan 8.240 nan 0.000 0.469 2420 F N 0.703 120.599 119.950 -0.089 0.000 2.720 2420 F HA 0.423 4.950 4.527 -0.001 0.000 0.301 2420 F C 0.845 176.628 175.800 -0.030 0.000 1.103 2420 F CA -0.439 57.514 58.000 -0.077 0.000 1.291 2420 F CB -0.025 38.882 39.000 -0.156 0.000 1.086 2420 F HN 0.244 nan 8.300 nan 0.000 0.592 2421 L N 0.375 121.687 121.223 0.149 0.000 2.452 2421 L HA 0.167 4.506 4.340 -0.001 0.000 0.267 2421 L C 0.892 177.778 176.870 0.026 0.000 1.188 2421 L CA -0.363 54.497 54.840 0.034 0.000 0.821 2421 L CB 0.295 42.306 42.059 -0.079 0.000 1.102 2421 L HN -0.064 nan 8.230 nan 0.000 0.470 2422 S N 1.147 116.862 115.700 0.025 0.000 2.563 2422 S HA 0.023 4.492 4.470 -0.001 0.000 0.284 2422 S C 1.228 175.845 174.600 0.028 0.000 1.331 2422 S CA -0.422 57.797 58.200 0.032 0.000 1.047 2422 S CB 0.565 63.789 63.200 0.039 0.000 0.859 2422 S HN 0.520 nan 8.310 nan 0.000 0.514 2423 R N 1.235 121.748 120.500 0.022 0.000 2.152 2423 R HA -0.119 4.221 4.340 -0.001 0.000 0.232 2423 R C 1.711 178.031 176.300 0.034 0.000 1.117 2423 R CA 1.009 57.120 56.100 0.019 0.000 0.981 2423 R CB -0.252 30.054 30.300 0.010 0.000 0.870 2423 R HN 0.679 nan 8.270 nan 0.000 0.451 2424 D N 1.294 121.717 120.400 0.038 0.000 2.095 2424 D HA -0.171 4.468 4.640 -0.001 0.000 0.192 2424 D C 1.916 178.262 176.300 0.075 0.000 0.990 2424 D CA 1.283 55.311 54.000 0.047 0.000 0.836 2424 D CB 0.056 40.884 40.800 0.046 0.000 0.979 2424 D HN -0.059 nan 8.370 nan 0.000 0.447 2425 I N 0.971 121.599 120.570 0.096 0.000 2.068 2425 I HA -0.284 3.885 4.170 -0.001 0.000 0.238 2425 I C 2.693 178.969 176.117 0.264 0.000 1.046 2425 I CA 1.135 62.541 61.300 0.177 0.000 1.306 2425 I CB -1.762 36.326 38.000 0.146 0.000 1.023 2425 I HN 0.062 nan 8.210 nan 0.000 0.399 2426 S N -0.260 115.536 115.700 0.159 0.000 2.428 2426 S HA -0.323 4.147 4.470 -0.001 0.000 0.240 2426 S C 2.023 176.718 174.600 0.158 0.000 1.036 2426 S CA 2.186 60.462 58.200 0.127 0.000 1.009 2426 S CB -0.254 62.966 63.200 0.032 0.000 0.803 2426 S HN 0.544 nan 8.310 nan 0.000 0.486 2427 Q N -0.004 119.866 119.800 0.116 0.000 2.049 2427 Q HA -0.073 4.267 4.340 -0.001 0.000 0.198 2427 Q C 2.346 178.375 176.000 0.049 0.000 0.971 2427 Q CA 1.424 57.267 55.803 0.066 0.000 0.833 2427 Q CB -0.149 28.608 28.738 0.033 0.000 0.896 2427 Q HN 0.658 nan 8.270 nan 0.000 0.434 2428 Q N -0.618 119.207 119.800 0.043 0.000 2.135 2428 Q HA -0.193 4.147 4.340 -0.001 0.000 0.204 2428 Q C 1.812 177.633 176.000 -0.298 0.000 0.981 2428 Q CA 1.431 57.150 55.803 -0.139 0.000 0.856 2428 Q CB -0.157 28.518 28.738 -0.104 0.000 0.902 2428 Q HN 0.373 nan 8.270 nan 0.000 0.425 2429 F N 0.111 120.013 119.950 -0.080 0.000 2.171 2429 F HA -0.088 4.438 4.527 -0.001 0.000 0.300 2429 F C 2.363 178.134 175.800 -0.049 0.000 1.090 2429 F CA 1.305 59.293 58.000 -0.020 0.000 1.293 2429 F CB -0.561 38.520 39.000 0.135 0.000 1.013 2429 F HN 0.135 nan 8.300 nan 0.000 0.486 2430 G N -0.205 108.690 108.800 0.158 0.000 2.421 2430 G HA2 -0.082 3.877 3.960 -0.001 0.000 0.217 2430 G HA3 -0.082 3.877 3.960 -0.001 0.000 0.217 2430 G C 1.603 176.535 174.900 0.053 0.000 1.143 2430 G CA 0.619 45.781 45.100 0.102 0.000 0.784 2430 G HN 0.257 nan 8.290 nan 0.000 0.541 2431 I N 0.736 121.285 120.570 -0.034 0.000 2.402 2431 I HA -0.081 4.088 4.170 -0.001 0.000 0.221 2431 I C 2.314 178.407 176.117 -0.040 0.000 1.059 2431 I CA 0.940 62.186 61.300 -0.090 0.000 1.371 2431 I CB -0.642 37.270 38.000 -0.147 0.000 1.182 2431 I HN 0.043 nan 8.210 nan 0.000 0.403 2432 N N 0.595 119.147 118.700 -0.247 0.000 2.310 2432 N HA -0.202 4.538 4.740 -0.001 0.000 0.193 2432 N C 0.947 176.415 175.510 -0.071 0.000 1.001 2432 N CA 1.151 54.025 53.050 -0.293 0.000 0.890 2432 N CB -0.197 37.719 38.487 -0.952 0.000 0.972 2432 N HN 0.319 nan 8.380 nan 0.000 0.445 2433 L N 0.210 121.432 121.223 -0.002 0.000 3.066 2433 L HA 0.152 4.492 4.340 -0.001 0.000 0.265 2433 L C 1.286 178.290 176.870 0.223 0.000 1.232 2433 L CA -0.298 54.626 54.840 0.141 0.000 1.031 2433 L CB -0.089 42.048 42.059 0.129 0.000 1.379 2433 L HN 0.389 nan 8.230 nan 0.000 0.563 2434 H N 0.483 119.606 119.070 0.088 0.000 2.387 2434 H HA -0.177 4.379 4.556 -0.001 0.000 0.299 2434 H C 1.966 177.340 175.328 0.077 0.000 1.090 2434 H CA 1.362 57.454 56.048 0.074 0.000 1.332 2434 H CB -0.380 29.398 29.762 0.026 0.000 1.386 2434 H HN 0.394 nan 8.280 nan 0.000 0.516 2435 M N -0.353 118.952 119.600 -0.492 0.000 2.629 2435 M HA -0.075 4.404 4.480 -0.001 0.000 0.257 2435 M C 0.117 176.190 176.300 -0.377 0.000 1.071 2435 M CA 1.055 56.095 55.300 -0.434 0.000 1.077 2435 M CB -1.521 30.754 32.600 -0.543 0.000 1.423 2435 M HN 0.219 nan 8.290 nan 0.000 0.508 2436 Y N 0.112 120.370 120.300 -0.071 0.000 2.660 2436 Y HA 0.393 4.942 4.550 -0.001 0.000 0.254 2436 Y C 1.970 177.873 175.900 0.004 0.000 1.176 2436 Y CA -0.282 57.804 58.100 -0.023 0.000 1.195 2436 Y CB -0.147 38.303 38.460 -0.017 0.000 1.190 2436 Y HN 0.206 nan 8.280 nan 0.000 0.535 2437 S N -0.039 115.734 115.700 0.121 0.000 2.383 2437 S HA -0.214 4.255 4.470 -0.001 0.000 0.229 2437 S C 2.156 176.800 174.600 0.073 0.000 1.030 2437 S CA 1.826 60.086 58.200 0.101 0.000 1.002 2437 S CB -0.328 62.925 63.200 0.088 0.000 0.829 2437 S HN 0.641 nan 8.310 nan 0.000 0.467 2438 S N 0.788 116.518 115.700 0.050 0.000 2.469 2438 S HA 0.024 4.493 4.470 -0.001 0.000 0.238 2438 S C 0.429 175.058 174.600 0.049 0.000 0.998 2438 S CA 0.424 58.645 58.200 0.035 0.000 0.957 2438 S CB -0.488 62.716 63.200 0.008 0.000 0.764 2438 S HN 0.176 nan 8.310 nan 0.000 0.514 2439 L N 2.286 123.556 121.223 0.078 0.000 2.375 2439 L HA 0.494 4.834 4.340 -0.001 0.000 0.268 2439 L C 0.548 177.458 176.870 0.068 0.000 1.058 2439 L CA -0.404 54.485 54.840 0.081 0.000 0.803 2439 L CB 1.107 43.240 42.059 0.124 0.000 1.212 2439 L HN 0.162 nan 8.230 nan 0.000 0.451 2440 S N -0.216 115.515 115.700 0.053 0.000 2.562 2440 S HA 0.342 4.812 4.470 -0.001 0.000 0.275 2440 S C 1.309 175.929 174.600 0.034 0.000 1.281 2440 S CA -0.817 57.408 58.200 0.042 0.000 1.045 2440 S CB 1.162 64.384 63.200 0.037 0.000 0.962 2440 S HN 0.365 nan 8.310 nan 0.000 0.503 2441 V N 2.800 122.730 119.914 0.027 0.000 2.236 2441 V HA -0.351 3.768 4.120 -0.001 0.000 0.255 2441 V C 2.997 179.096 176.094 0.008 0.000 1.068 2441 V CA 2.609 64.916 62.300 0.012 0.000 1.044 2441 V CB -2.143 29.686 31.823 0.010 0.000 0.653 2441 V HN 1.064 nan 8.190 nan 0.000 0.448 2442 A N 0.151 122.986 122.820 0.025 0.000 1.873 2442 A HA -0.330 3.990 4.320 -0.001 0.000 0.218 2442 A C 1.894 179.493 177.584 0.024 0.000 1.193 2442 A CA 2.542 54.600 52.037 0.035 0.000 0.629 2442 A CB -0.961 18.069 19.000 0.050 0.000 0.826 2442 A HN 0.605 nan 8.150 nan 0.000 0.447 2443 D N -1.530 118.887 120.400 0.028 0.000 2.378 2443 D HA 0.058 4.697 4.640 -0.001 0.000 0.227 2443 D C 1.466 177.778 176.300 0.019 0.000 1.012 2443 D CA 0.297 54.315 54.000 0.030 0.000 0.905 2443 D CB 0.168 40.993 40.800 0.042 0.000 0.895 2443 D HN 0.349 nan 8.370 nan 0.000 0.532 2444 L N -0.171 121.049 121.223 -0.005 0.000 2.262 2444 L HA 0.021 4.360 4.340 -0.001 0.000 0.197 2444 L C 2.158 178.953 176.870 -0.127 0.000 1.073 2444 L CA 0.734 55.542 54.840 -0.053 0.000 0.800 2444 L CB -0.596 41.434 42.059 -0.048 0.000 0.987 2444 L HN 0.053 nan 8.230 nan 0.000 0.470 2445 V N -1.736 118.111 119.914 -0.113 0.000 2.469 2445 V HA -0.299 3.821 4.120 -0.001 0.000 0.251 2445 V C 2.508 178.504 176.094 -0.163 0.000 1.064 2445 V CA 2.222 64.425 62.300 -0.162 0.000 1.066 2445 V CB -1.321 30.414 31.823 -0.146 0.000 0.667 2445 V HN 0.545 nan 8.190 nan 0.000 0.461 2446 K N 0.762 121.103 120.400 -0.097 0.000 2.057 2446 K HA -0.263 4.057 4.320 -0.001 0.000 0.207 2446 K C 2.317 178.883 176.600 -0.057 0.000 1.049 2446 K CA 2.027 58.275 56.287 -0.064 0.000 0.931 2446 K CB -0.209 32.286 32.500 -0.008 0.000 0.714 2446 K HN 0.440 nan 8.250 nan 0.000 0.440 2447 K N 0.859 121.221 120.400 -0.063 0.000 2.103 2447 K HA -0.076 4.243 4.320 -0.001 0.000 0.207 2447 K C 1.743 178.270 176.600 -0.122 0.000 1.048 2447 K CA 1.342 57.601 56.287 -0.048 0.000 0.930 2447 K CB -0.054 32.422 32.500 -0.040 0.000 0.716 2447 K HN 0.221 nan 8.250 nan 0.000 0.444 2448 I N -0.434 119.978 120.570 -0.263 0.000 2.385 2448 I HA -0.165 4.005 4.170 -0.001 0.000 0.244 2448 I C 1.853 177.951 176.117 -0.032 0.000 1.089 2448 I CA 0.470 61.557 61.300 -0.354 0.000 1.410 2448 I CB -0.091 37.627 38.000 -0.470 0.000 1.117 2448 I HN 0.067 nan 8.210 nan 0.000 0.429 2449 L N 0.627 121.805 121.223 -0.075 0.000 2.089 2449 L HA -0.290 4.050 4.340 -0.001 0.000 0.213 2449 L C 1.996 178.866 176.870 0.001 0.000 1.079 2449 L CA 1.708 56.512 54.840 -0.061 0.000 0.758 2449 L CB -0.810 41.110 42.059 -0.232 0.000 0.891 2449 L HN 0.356 nan 8.230 nan 0.000 0.433 2450 N N -0.887 117.822 118.700 0.015 0.000 2.494 2450 N HA -0.057 4.682 4.740 -0.001 0.000 0.182 2450 N C 0.307 175.872 175.510 0.092 0.000 1.076 2450 N CA 0.273 53.351 53.050 0.046 0.000 0.908 2450 N CB 0.019 38.532 38.487 0.043 0.000 0.967 2450 N HN 0.322 nan 8.380 nan 0.000 0.449 2451 C N 1.953 121.358 119.300 0.175 0.000 3.873 2451 C HA -0.150 4.310 4.460 -0.001 0.000 0.302 2451 C C -0.767 174.346 174.990 0.204 0.000 1.266 2451 C CA -0.798 58.379 59.018 0.266 0.000 2.185 2451 C CB -2.537 25.267 27.740 0.106 0.000 1.380 2451 C HN 0.406 nan 8.230 nan 0.000 0.623 2452 D N 0.278 120.839 120.400 0.269 0.000 2.424 2452 D HA 0.081 4.720 4.640 -0.001 0.000 0.244 2452 D C 1.355 177.766 176.300 0.185 0.000 1.134 2452 D CA -0.099 54.018 54.000 0.195 0.000 0.881 2452 D CB 0.560 41.477 40.800 0.195 0.000 1.191 2452 D HN 0.581 nan 8.370 nan 0.000 0.445 2453 R N 2.375 122.939 120.500 0.108 0.000 2.196 2453 R HA -0.259 4.080 4.340 -0.001 0.000 0.244 2453 R C 1.453 177.811 176.300 0.097 0.000 1.121 2453 R CA 2.527 58.670 56.100 0.073 0.000 0.930 2453 R CB -0.218 30.116 30.300 0.056 0.000 0.890 2453 R HN 0.615 nan 8.270 nan 0.000 0.435 2454 D N -0.462 120.016 120.400 0.131 0.000 2.271 2454 D HA -0.223 4.416 4.640 -0.001 0.000 0.207 2454 D C 1.832 178.291 176.300 0.265 0.000 0.983 2454 D CA 1.121 55.211 54.000 0.150 0.000 0.878 2454 D CB -0.528 40.343 40.800 0.118 0.000 0.920 2454 D HN 0.372 nan 8.370 nan 0.000 0.479 2455 F N 1.766 121.803 119.950 0.145 0.000 2.118 2455 F HA 0.085 4.611 4.527 -0.001 0.000 0.293 2455 F C 2.135 177.989 175.800 0.091 0.000 1.102 2455 F CA 0.563 58.656 58.000 0.155 0.000 1.247 2455 F CB -0.710 38.348 39.000 0.096 0.000 1.017 2455 F HN -0.153 nan 8.300 nan 0.000 0.475 2456 L N 0.237 121.262 121.223 -0.330 0.000 2.131 2456 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 2456 L C 1.976 178.733 176.870 -0.188 0.000 1.092 2456 L CA 1.205 55.770 54.840 -0.459 0.000 0.759 2456 L CB -0.820 41.069 42.059 -0.285 0.000 0.903 2456 L HN 0.223 nan 8.230 nan 0.000 0.435 2457 Q N -0.483 119.284 119.800 -0.054 0.000 2.329 2457 Q HA 0.043 4.383 4.340 -0.001 0.000 0.208 2457 Q C -0.231 175.785 176.000 0.027 0.000 0.934 2457 Q CA 0.235 56.033 55.803 -0.007 0.000 0.951 2457 Q CB 0.118 28.866 28.738 0.016 0.000 1.017 2457 Q HN 0.299 nan 8.270 nan 0.000 0.490 2458 T N 1.015 115.597 114.554 0.046 0.000 3.150 2458 T HA 0.187 4.536 4.350 -0.001 0.000 0.383 2458 T C -2.154 172.609 174.700 0.105 0.000 1.313 2458 T CA -1.319 60.844 62.100 0.106 0.000 1.235 2458 T CB 1.510 70.500 68.868 0.203 0.000 1.088 2458 T HN -0.060 nan 8.240 nan 0.000 0.556 2459 P HA -0.151 nan 4.420 nan 0.000 0.215 2459 P C 1.758 179.125 177.300 0.112 0.000 1.157 2459 P CA 1.087 64.228 63.100 0.068 0.000 0.874 2459 P CB 0.124 31.855 31.700 0.052 0.000 0.790 2460 S N -0.653 115.120 115.700 0.121 0.000 2.399 2460 S HA -0.187 4.282 4.470 -0.001 0.000 0.235 2460 S C 1.942 176.662 174.600 0.200 0.000 1.063 2460 S CA 1.821 60.103 58.200 0.138 0.000 1.070 2460 S CB -1.509 61.771 63.200 0.134 0.000 0.904 2460 S HN -0.010 nan 8.310 nan 0.000 0.456 2461 V N 1.104 121.167 119.914 0.249 0.000 2.255 2461 V HA -0.104 4.016 4.120 -0.001 0.000 0.243 2461 V C 2.361 178.674 176.094 0.365 0.000 1.038 2461 V CA 1.401 63.913 62.300 0.353 0.000 1.008 2461 V CB -0.923 31.159 31.823 0.431 0.000 0.645 2461 V HN 0.358 nan 8.190 nan 0.000 0.449 2462 V N 0.248 120.335 119.914 0.289 0.000 2.324 2462 V HA -0.355 3.764 4.120 -0.001 0.000 0.250 2462 V C 2.510 178.674 176.094 0.117 0.000 1.060 2462 V CA 2.556 64.957 62.300 0.169 0.000 1.042 2462 V CB -0.650 31.171 31.823 -0.003 0.000 0.650 2462 V HN 0.696 nan 8.190 nan 0.000 0.450 2463 E N -0.556 119.719 120.200 0.126 0.000 2.058 2463 E HA -0.269 4.081 4.350 -0.001 0.000 0.194 2463 E C 2.091 178.777 176.600 0.143 0.000 0.997 2463 E CA 1.759 58.224 56.400 0.108 0.000 0.801 2463 E CB -0.224 29.542 29.700 0.110 0.000 0.746 2463 E HN 0.551 nan 8.360 nan 0.000 0.450 2464 F N 1.400 121.374 119.950 0.040 0.000 2.031 2464 F HA -0.130 4.397 4.527 -0.001 0.000 0.295 2464 F C 1.808 177.621 175.800 0.022 0.000 1.133 2464 F CA 1.435 59.436 58.000 0.003 0.000 1.188 2464 F CB -0.636 38.347 39.000 -0.029 0.000 0.974 2464 F HN -0.009 nan 8.300 nan 0.000 0.473 2465 L N -0.078 120.975 121.223 -0.282 0.000 2.661 2465 L HA -0.189 4.151 4.340 -0.001 0.000 0.236 2465 L C 1.624 178.479 176.870 -0.025 0.000 1.176 2465 L CA 1.076 55.782 54.840 -0.222 0.000 0.836 2465 L CB -0.716 41.437 42.059 0.157 0.000 0.960 2465 L HN 0.188 nan 8.230 nan 0.000 0.455 2466 S N -2.380 113.277 115.700 -0.072 0.000 2.604 2466 S HA 0.121 4.591 4.470 -0.001 0.000 0.235 2466 S C 0.557 175.141 174.600 -0.026 0.000 1.043 2466 S CA -0.394 57.778 58.200 -0.046 0.000 0.997 2466 S CB 0.435 63.600 63.200 -0.058 0.000 0.956 2466 S HN 0.220 nan 8.310 nan 0.000 0.535 2467 K N 2.792 123.172 120.400 -0.034 0.000 2.511 2467 K HA 0.024 4.343 4.320 -0.001 0.000 0.280 2467 K C 1.374 177.984 176.600 0.017 0.000 1.008 2467 K CA 0.283 56.576 56.287 0.009 0.000 1.050 2467 K CB 0.569 33.094 32.500 0.042 0.000 0.889 2467 K HN 0.365 nan 8.250 nan 0.000 0.484 2468 S N 3.180 118.899 115.700 0.031 0.000 2.377 2468 S HA -0.305 4.165 4.470 -0.001 0.000 0.224 2468 S C 1.675 176.309 174.600 0.057 0.000 1.042 2468 S CA 1.851 60.076 58.200 0.041 0.000 1.086 2468 S CB -0.499 62.724 63.200 0.039 0.000 0.995 2468 S HN 0.832 nan 8.310 nan 0.000 0.428 2469 E N 0.867 121.103 120.200 0.060 0.000 2.394 2469 E HA -0.169 4.181 4.350 -0.001 0.000 0.202 2469 E C 1.706 178.362 176.600 0.093 0.000 1.029 2469 E CA 1.251 57.696 56.400 0.074 0.000 0.855 2469 E CB -0.388 29.355 29.700 0.071 0.000 0.770 2469 E HN 0.568 nan 8.360 nan 0.000 0.527 2470 I N 0.505 121.120 120.570 0.075 0.000 2.927 2470 I HA 0.010 4.180 4.170 -0.001 0.000 0.268 2470 I C 2.296 178.515 176.117 0.170 0.000 1.153 2470 I CA 0.414 61.769 61.300 0.092 0.000 1.459 2470 I CB -0.397 37.533 38.000 -0.116 0.000 1.149 2470 I HN 0.215 nan 8.210 nan 0.000 0.443 2471 I N 0.597 121.234 120.570 0.112 0.000 2.339 2471 I HA -0.106 4.063 4.170 -0.001 0.000 0.245 2471 I C 0.718 176.899 176.117 0.108 0.000 1.096 2471 I CA 0.338 61.709 61.300 0.118 0.000 1.408 2471 I CB -0.221 37.864 38.000 0.141 0.000 1.092 2471 I HN 0.120 nan 8.210 nan 0.000 0.423 2472 E N 1.997 122.259 120.200 0.102 0.000 2.765 2472 E HA -0.031 4.318 4.350 -0.001 0.000 0.256 2472 E C -0.812 175.861 176.600 0.122 0.000 0.935 2472 E CA 0.146 56.602 56.400 0.093 0.000 0.954 2472 E CB 0.785 30.535 29.700 0.082 0.000 0.908 2472 E HN 0.036 nan 8.360 nan 0.000 0.500 2473 V N 3.859 123.831 119.914 0.096 0.000 2.407 2473 V HA 0.078 4.197 4.120 -0.001 0.000 0.291 2473 V C 0.175 176.326 176.094 0.095 0.000 1.018 2473 V CA -0.652 61.716 62.300 0.113 0.000 0.842 2473 V CB 1.676 33.529 31.823 0.050 0.000 0.996 2473 V HN 0.774 nan 8.190 nan 0.000 0.426 2474 S N 4.283 120.050 115.700 0.112 0.000 2.572 2474 S HA 0.230 4.700 4.470 -0.001 0.000 0.279 2474 S C 1.336 175.982 174.600 0.078 0.000 1.341 2474 S CA -0.428 57.825 58.200 0.088 0.000 1.043 2474 S CB 1.450 64.704 63.200 0.090 0.000 0.887 2474 S HN 0.442 nan 8.310 nan 0.000 0.516 2475 V N 2.566 122.517 119.914 0.061 0.000 2.231 2475 V HA -0.307 3.813 4.120 -0.001 0.000 0.250 2475 V C 2.552 178.676 176.094 0.050 0.000 1.058 2475 V CA 2.343 64.673 62.300 0.050 0.000 1.022 2475 V CB -1.452 30.397 31.823 0.043 0.000 0.640 2475 V HN 0.868 nan 8.190 nan 0.000 0.445 2476 N N 0.311 119.042 118.700 0.052 0.000 2.002 2476 N HA -0.234 4.505 4.740 -0.001 0.000 0.199 2476 N C 1.819 177.358 175.510 0.049 0.000 1.060 2476 N CA 1.975 55.053 53.050 0.047 0.000 0.867 2476 N CB -0.807 37.714 38.487 0.057 0.000 1.069 2476 N HN 0.336 nan 8.380 nan 0.000 0.430 2477 L N 1.379 122.656 121.223 0.089 0.000 2.123 2477 L HA -0.253 4.087 4.340 -0.001 0.000 0.217 2477 L C 2.284 179.266 176.870 0.188 0.000 1.081 2477 L CA 1.913 56.842 54.840 0.149 0.000 0.772 2477 L CB -0.972 41.232 42.059 0.242 0.000 0.890 2477 L HN 0.271 nan 8.230 nan 0.000 0.437 2478 A N -0.908 121.988 122.820 0.126 0.000 1.855 2478 A HA -0.254 4.066 4.320 -0.001 0.000 0.215 2478 A C 2.461 180.074 177.584 0.048 0.000 1.191 2478 A CA 1.720 53.815 52.037 0.098 0.000 0.613 2478 A CB -0.632 18.397 19.000 0.050 0.000 0.829 2478 A HN 0.483 nan 8.150 nan 0.000 0.442 2479 R N 0.155 120.659 120.500 0.007 0.000 2.112 2479 R HA -0.249 4.090 4.340 -0.001 0.000 0.242 2479 R C 1.962 178.206 176.300 -0.093 0.000 1.137 2479 R CA 2.411 58.492 56.100 -0.032 0.000 0.944 2479 R CB -0.585 29.704 30.300 -0.018 0.000 0.857 2479 R HN 0.714 nan 8.270 nan 0.000 0.435 2480 N N -1.346 117.241 118.700 -0.188 0.000 2.061 2480 N HA -0.215 4.525 4.740 -0.001 0.000 0.193 2480 N C 1.560 176.766 175.510 -0.507 0.000 1.030 2480 N CA 1.918 54.700 53.050 -0.447 0.000 0.856 2480 N CB -0.243 37.700 38.487 -0.907 0.000 1.023 2480 N HN 0.292 nan 8.380 nan 0.000 0.424 2481 Y N 0.868 120.983 120.300 -0.307 0.000 2.263 2481 Y HA -0.001 4.548 4.550 -0.001 0.000 0.292 2481 Y C 2.439 178.327 175.900 -0.021 0.000 1.130 2481 Y CA 0.627 58.677 58.100 -0.083 0.000 1.179 2481 Y CB -0.516 37.882 38.460 -0.103 0.000 0.998 2481 Y HN 0.042 nan 8.280 nan 0.000 0.532 2482 A N 1.040 123.883 122.820 0.038 0.000 1.942 2482 A HA -0.304 4.015 4.320 -0.001 0.000 0.227 2482 A C -0.171 177.320 177.584 -0.155 0.000 1.445 2482 A CA 2.630 54.621 52.037 -0.078 0.000 0.704 2482 A CB -2.079 16.856 19.000 -0.109 0.000 0.841 2482 A HN 0.328 nan 8.150 nan 0.000 0.495 2483 P HA -0.094 nan 4.420 nan 0.000 0.226 2483 P C 0.198 177.197 177.300 -0.503 0.000 1.146 2483 P CA 1.157 64.010 63.100 -0.411 0.000 0.773 2483 P CB -0.145 31.224 31.700 -0.552 0.000 0.772 2484 Y N -2.460 117.822 120.300 -0.030 0.000 2.500 2484 Y HA 0.166 4.716 4.550 -0.001 0.000 0.246 2484 Y C 1.798 177.692 175.900 -0.010 0.000 1.146 2484 Y CA -0.340 57.764 58.100 0.007 0.000 1.230 2484 Y CB -0.483 38.024 38.460 0.078 0.000 1.214 2484 Y HN -0.106 nan 8.280 nan 0.000 0.526 2485 S N -0.207 115.532 115.700 0.064 0.000 2.534 2485 S HA 0.441 4.910 4.470 -0.001 0.000 0.241 2485 S C 0.297 174.857 174.600 -0.067 0.000 1.334 2485 S CA 0.152 58.350 58.200 -0.005 0.000 0.978 2485 S CB 0.342 63.503 63.200 -0.064 0.000 0.925 2485 S HN 0.129 nan 8.310 nan 0.000 0.522 2486 T N -1.131 113.361 114.554 -0.103 0.000 2.831 2486 T HA 0.303 4.653 4.350 -0.001 0.000 0.333 2486 T C -0.195 174.409 174.700 -0.159 0.000 1.684 2486 T CA -0.582 61.379 62.100 -0.232 0.000 1.049 2486 T CB 1.734 70.325 68.868 -0.462 0.000 1.518 2486 T HN 0.606 nan 8.240 nan 0.000 0.491 2487 D N -0.996 119.284 120.400 -0.200 0.000 2.652 2487 D HA 0.106 4.745 4.640 -0.001 0.000 0.261 2487 D C 0.823 177.211 176.300 0.147 0.000 1.024 2487 D CA 0.855 54.867 54.000 0.020 0.000 0.958 2487 D CB 0.254 41.098 40.800 0.073 0.000 1.113 2487 D HN 0.803 nan 8.370 nan 0.000 0.471 2488 W N 0.933 122.271 121.300 0.063 0.000 1.134 2488 W HA -0.233 4.426 4.660 -0.001 0.000 0.226 2488 W C 0.021 176.568 176.519 0.046 0.000 0.941 2488 W CA 0.443 57.813 57.345 0.043 0.000 0.372 2488 W CB -1.444 28.069 29.460 0.089 0.000 1.939 2488 W HN 0.033 nan 8.180 nan 0.000 1.337 2489 E N 1.145 121.511 120.200 0.276 0.000 2.341 2489 E HA 0.321 4.670 4.350 -0.001 0.000 0.256 2489 E C 1.009 177.664 176.600 0.092 0.000 1.125 2489 E CA 0.993 57.487 56.400 0.158 0.000 0.939 2489 E CB -0.146 29.630 29.700 0.127 0.000 0.991 2489 E HN 0.361 nan 8.360 nan 0.000 0.458 2490 G N 2.211 111.050 108.800 0.065 0.000 2.207 2490 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.216 2490 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.216 2490 G C -0.238 174.697 174.900 0.059 0.000 1.053 2490 G CA -0.288 44.831 45.100 0.032 0.000 0.764 2490 G HN 0.407 nan 8.290 nan 0.000 0.495 2491 V N -0.278 119.702 119.914 0.111 0.000 2.569 2491 V HA 0.504 4.623 4.120 -0.001 0.000 0.301 2491 V C 0.961 177.132 176.094 0.129 0.000 1.044 2491 V CA -0.767 61.624 62.300 0.153 0.000 0.874 2491 V CB 1.600 33.608 31.823 0.307 0.000 1.002 2491 V HN 0.345 nan 8.190 nan 0.000 0.424 2492 R N 2.366 122.916 120.500 0.084 0.000 2.308 2492 R HA 0.308 4.648 4.340 -0.001 0.000 0.202 2492 R C 0.500 176.835 176.300 0.058 0.000 0.898 2492 R CA 0.162 56.294 56.100 0.053 0.000 1.046 2492 R CB 0.541 30.858 30.300 0.029 0.000 1.026 2492 R HN 0.726 nan 8.270 nan 0.000 0.512 2493 N N -0.068 118.686 118.700 0.090 0.000 2.242 2493 N HA 0.091 4.831 4.740 -0.001 0.000 0.292 2493 N C 0.060 175.667 175.510 0.162 0.000 1.125 2493 N CA -0.427 52.677 53.050 0.090 0.000 0.783 2493 N CB 1.697 40.225 38.487 0.068 0.000 1.558 2493 N HN -0.138 nan 8.380 nan 0.000 0.472 2494 L N 2.707 124.018 121.223 0.148 0.000 2.093 2494 L HA -0.095 4.245 4.340 -0.001 0.000 0.208 2494 L C 1.924 178.908 176.870 0.190 0.000 1.085 2494 L CA 2.115 57.098 54.840 0.239 0.000 0.755 2494 L CB -1.022 41.142 42.059 0.175 0.000 0.904 2494 L HN 0.786 nan 8.230 nan 0.000 0.435 2495 E N -1.392 118.877 120.200 0.116 0.000 2.204 2495 E HA -0.228 4.122 4.350 -0.001 0.000 0.194 2495 E C 1.268 177.899 176.600 0.052 0.000 0.989 2495 E CA 1.335 57.779 56.400 0.075 0.000 0.824 2495 E CB -0.266 29.467 29.700 0.056 0.000 0.756 2495 E HN 0.389 nan 8.360 nan 0.000 0.477 2496 D N 1.681 122.118 120.400 0.062 0.000 2.183 2496 D HA 0.038 4.678 4.640 -0.001 0.000 0.203 2496 D C 0.327 176.622 176.300 -0.008 0.000 0.969 2496 D CA 1.153 55.172 54.000 0.032 0.000 0.842 2496 D CB 0.009 40.837 40.800 0.046 0.000 0.957 2496 D HN 0.330 nan 8.370 nan 0.000 0.484 2497 A N 0.624 123.429 122.820 -0.026 0.000 2.410 2497 A HA 0.159 4.479 4.320 -0.001 0.000 0.292 2497 A C 0.934 178.421 177.584 -0.161 0.000 1.232 2497 A CA -0.057 51.858 52.037 -0.203 0.000 0.893 2497 A CB 0.257 18.899 19.000 -0.597 0.000 1.131 2497 A HN 0.035 nan 8.150 nan 0.000 0.530 2498 K N 2.160 122.483 120.400 -0.128 0.000 2.225 2498 K HA 0.100 4.420 4.320 -0.001 0.000 0.204 2498 K C -1.744 174.802 176.600 -0.090 0.000 1.047 2498 K CA 0.034 56.270 56.287 -0.085 0.000 0.970 2498 K CB -0.805 31.663 32.500 -0.055 0.000 0.939 2498 K HN 0.399 nan 8.250 nan 0.000 0.472 2499 P HA -0.060 nan 4.420 nan 0.000 0.227 2499 P C -2.338 174.919 177.300 -0.073 0.000 1.036 2499 P CA 0.065 63.123 63.100 -0.069 0.000 1.080 2499 P CB 0.243 31.915 31.700 -0.047 0.000 1.046 2500 P HA -0.059 nan 4.420 nan 0.000 0.220 2500 P C 0.605 177.887 177.300 -0.030 0.000 1.154 2500 P CA 0.731 63.814 63.100 -0.028 0.000 0.830 2500 P CB 0.223 31.920 31.700 -0.004 0.000 0.803 2501 E N -2.375 117.798 120.200 -0.046 0.000 4.289 2501 E HA -0.205 4.144 4.350 -0.001 0.000 0.351 2501 E C 0.625 177.156 176.600 -0.116 0.000 0.606 2501 E CA 1.494 57.845 56.400 -0.082 0.000 1.464 2501 E CB -1.201 28.428 29.700 -0.118 0.000 1.831 2501 E HN 0.353 nan 8.360 nan 0.000 0.400 2502 K N -1.138 119.218 120.400 -0.074 0.000 1.609 2502 K HA 0.288 4.607 4.320 -0.001 0.000 0.286 2502 K C -1.542 175.108 176.600 0.082 0.000 0.772 2502 K CA -0.082 56.173 56.287 -0.052 0.000 0.371 2502 K CB 0.623 32.971 32.500 -0.254 0.000 2.803 2502 K HN -0.034 nan 8.250 nan 0.000 0.991 2503 D N 0.817 121.367 120.400 0.250 0.000 2.614 2503 D HA 0.190 4.829 4.640 -0.001 0.000 0.203 2503 D C -2.321 174.127 176.300 0.247 0.000 1.312 2503 D CA -1.095 53.032 54.000 0.212 0.000 0.889 2503 D CB 1.798 42.667 40.800 0.115 0.000 1.615 2503 D HN -0.011 nan 8.370 nan 0.000 0.567 2504 P HA -0.057 nan 4.420 nan 0.000 0.223 2504 P C 0.577 177.875 177.300 -0.004 0.000 1.151 2504 P CA 0.606 63.724 63.100 0.030 0.000 0.787 2504 P CB 0.307 32.046 31.700 0.066 0.000 0.788 2505 N N 0.285 119.004 118.700 0.032 0.000 2.513 2505 N HA -0.106 4.634 4.740 -0.001 0.000 0.187 2505 N C 0.800 176.314 175.510 0.007 0.000 1.056 2505 N CA 0.883 53.946 53.050 0.021 0.000 0.907 2505 N CB -0.474 38.033 38.487 0.033 0.000 0.954 2505 N HN 0.134 nan 8.380 nan 0.000 0.445 2506 D N -0.101 120.298 120.400 -0.002 0.000 2.325 2506 D HA 0.055 4.694 4.640 -0.001 0.000 0.234 2506 D C -0.187 176.069 176.300 -0.075 0.000 1.122 2506 D CA 0.366 54.358 54.000 -0.014 0.000 0.850 2506 D CB 0.355 41.166 40.800 0.019 0.000 0.921 2506 D HN 0.137 nan 8.370 nan 0.000 0.513 2507 L N 0.353 121.524 121.223 -0.086 0.000 2.323 2507 L HA 0.344 4.683 4.340 -0.001 0.000 0.265 2507 L C 0.589 177.430 176.870 -0.049 0.000 1.012 2507 L CA -0.709 54.074 54.840 -0.096 0.000 0.820 2507 L CB 1.674 43.668 42.059 -0.107 0.000 1.334 2507 L HN -0.210 nan 8.230 nan 0.000 0.427 2508 Q N 0.177 119.949 119.800 -0.047 0.000 2.368 2508 Q HA 0.169 4.509 4.340 -0.001 0.000 0.237 2508 Q C 0.890 176.867 176.000 -0.037 0.000 0.987 2508 Q CA -0.205 55.576 55.803 -0.037 0.000 0.896 2508 Q CB 1.638 30.351 28.738 -0.043 0.000 1.241 2508 Q HN 0.403 nan 8.270 nan 0.000 0.485 2509 R N 1.479 121.964 120.500 -0.025 0.000 2.159 2509 R HA -0.332 4.008 4.340 -0.001 0.000 0.249 2509 R C 1.774 178.034 176.300 -0.068 0.000 1.136 2509 R CA 2.292 58.379 56.100 -0.021 0.000 0.951 2509 R CB -0.588 29.716 30.300 0.008 0.000 0.876 2509 R HN 0.807 nan 8.270 nan 0.000 0.440 2510 A N 0.992 123.753 122.820 -0.098 0.000 1.849 2510 A HA -0.287 4.032 4.320 -0.001 0.000 0.216 2510 A C 1.829 179.204 177.584 -0.348 0.000 1.225 2510 A CA 2.312 54.190 52.037 -0.265 0.000 0.653 2510 A CB -1.305 17.574 19.000 -0.202 0.000 0.844 2510 A HN 0.591 nan 8.150 nan 0.000 0.453 2511 D N -0.658 119.641 120.400 -0.167 0.000 2.133 2511 D HA -0.204 4.436 4.640 -0.001 0.000 0.192 2511 D C 2.126 178.433 176.300 0.011 0.000 1.001 2511 D CA 1.749 55.757 54.000 0.013 0.000 0.844 2511 D CB -0.407 40.512 40.800 0.199 0.000 0.944 2511 D HN 0.641 nan 8.370 nan 0.000 0.447 2512 Q N -0.346 119.440 119.800 -0.023 0.000 2.096 2512 Q HA -0.181 4.158 4.340 -0.001 0.000 0.208 2512 Q C 2.146 178.104 176.000 -0.069 0.000 0.993 2512 Q CA 0.914 56.702 55.803 -0.025 0.000 0.862 2512 Q CB -0.062 28.664 28.738 -0.021 0.000 0.915 2512 Q HN 0.351 nan 8.270 nan 0.000 0.416 2513 I N -0.206 120.298 120.570 -0.111 0.000 2.060 2513 I HA -0.309 3.860 4.170 -0.001 0.000 0.233 2513 I C 2.238 178.254 176.117 -0.168 0.000 1.054 2513 I CA 1.510 62.738 61.300 -0.119 0.000 1.318 2513 I CB -1.598 36.357 38.000 -0.074 0.000 1.054 2513 I HN 0.275 nan 8.210 nan 0.000 0.395 2514 Y N 1.572 121.624 120.300 -0.415 0.000 2.144 2514 Y HA -0.323 4.226 4.550 -0.001 0.000 0.277 2514 Y C 2.599 178.237 175.900 -0.436 0.000 1.229 2514 Y CA 2.325 60.183 58.100 -0.403 0.000 1.144 2514 Y CB -0.612 37.559 38.460 -0.480 0.000 0.953 2514 Y HN 0.201 nan 8.280 nan 0.000 0.515 2515 L N -0.398 120.601 121.223 -0.374 0.000 1.961 2515 L HA -0.217 4.123 4.340 -0.001 0.000 0.209 2515 L C 2.422 179.100 176.870 -0.320 0.000 1.075 2515 L CA 1.782 56.341 54.840 -0.467 0.000 0.749 2515 L CB -0.816 41.125 42.059 -0.196 0.000 0.890 2515 L HN 0.141 nan 8.230 nan 0.000 0.433 2516 Q N -0.053 119.643 119.800 -0.174 0.000 2.290 2516 Q HA -0.218 4.122 4.340 -0.001 0.000 0.211 2516 Q C 1.830 177.695 176.000 -0.226 0.000 0.991 2516 Q CA 1.946 57.691 55.803 -0.096 0.000 0.893 2516 Q CB -0.147 28.557 28.738 -0.057 0.000 0.913 2516 Q HN 0.612 nan 8.270 nan 0.000 0.428 2517 L N -1.907 119.049 121.223 -0.444 0.000 3.211 2517 L HA 0.062 4.401 4.340 -0.001 0.000 0.175 2517 L C 1.888 178.192 176.870 -0.942 0.000 1.378 2517 L CA -0.044 54.327 54.840 -0.782 0.000 0.987 2517 L CB -0.702 40.737 42.059 -1.032 0.000 1.457 2517 L HN 0.092 nan 8.230 nan 0.000 0.628 2518 M N 0.037 118.974 119.600 -1.104 0.000 2.521 2518 M HA -0.136 4.343 4.480 -0.001 0.000 0.260 2518 M C 1.670 177.555 176.300 -0.692 0.000 1.068 2518 M CA 1.122 55.861 55.300 -0.935 0.000 1.060 2518 M CB -0.647 31.472 32.600 -0.801 0.000 1.398 2518 M HN 0.115 nan 8.290 nan 0.000 0.473 2519 V N -0.584 118.922 119.914 -0.681 0.000 2.602 2519 V HA -0.034 4.085 4.120 -0.001 0.000 0.235 2519 V C 1.967 177.925 176.094 -0.227 0.000 1.087 2519 V CA 1.080 63.087 62.300 -0.487 0.000 1.117 2519 V CB -0.316 31.146 31.823 -0.601 0.000 0.820 2519 V HN 0.356 nan 8.190 nan 0.000 0.490 2520 N N 0.834 119.449 118.700 -0.142 0.000 2.188 2520 N HA -0.026 4.714 4.740 -0.001 0.000 0.184 2520 N C 1.330 176.919 175.510 0.131 0.000 1.018 2520 N CA 1.170 54.263 53.050 0.071 0.000 0.858 2520 N CB -0.120 38.520 38.487 0.255 0.000 0.989 2520 N HN 0.364 nan 8.380 nan 0.000 0.426 2521 L N 1.340 122.546 121.223 -0.028 0.000 2.783 2521 L HA 0.182 4.521 4.340 -0.001 0.000 0.236 2521 L C 1.811 178.602 176.870 -0.132 0.000 1.225 2521 L CA -0.055 54.736 54.840 -0.080 0.000 1.026 2521 L CB -0.172 41.732 42.059 -0.258 0.000 1.314 2521 L HN 0.127 nan 8.230 nan 0.000 0.489 2522 E N 0.676 120.839 120.200 -0.061 0.000 2.204 2522 E HA -0.179 4.171 4.350 -0.001 0.000 0.195 2522 E C 1.783 178.428 176.600 0.076 0.000 0.990 2522 E CA 1.207 57.594 56.400 -0.022 0.000 0.821 2522 E CB 0.249 29.925 29.700 -0.039 0.000 0.750 2522 E HN 0.434 nan 8.360 nan 0.000 0.477 2523 S N -0.495 115.297 115.700 0.154 0.000 2.465 2523 S HA -0.177 4.293 4.470 -0.001 0.000 0.241 2523 S C 0.759 175.584 174.600 0.375 0.000 1.000 2523 S CA 1.442 59.799 58.200 0.261 0.000 0.964 2523 S CB -0.263 63.143 63.200 0.344 0.000 0.763 2523 S HN 0.705 nan 8.310 nan 0.000 0.512 2524 Y N -5.092 115.315 120.300 0.178 0.000 2.978 2524 Y HA 0.331 4.881 4.550 -0.001 0.000 0.304 2524 Y C 1.042 176.991 175.900 0.082 0.000 0.957 2524 Y CA -1.286 56.896 58.100 0.137 0.000 1.204 2524 Y CB -0.866 37.712 38.460 0.196 0.000 1.428 2524 Y HN 0.133 nan 8.280 nan 0.000 0.584 2525 W N 2.889 123.930 121.300 -0.431 0.000 2.292 2525 W HA -0.201 4.458 4.660 -0.001 0.000 0.330 2525 W C 2.113 178.530 176.519 -0.170 0.000 1.264 2525 W CA 3.248 60.352 57.345 -0.401 0.000 1.235 2525 W CB -0.805 28.450 29.460 -0.342 0.000 1.164 2525 W HN 0.353 nan 8.180 nan 0.000 0.461 2526 G N 0.297 109.059 108.800 -0.064 0.000 2.606 2526 G HA2 -0.370 3.589 3.960 -0.001 0.000 0.221 2526 G HA3 -0.370 3.589 3.960 -0.001 0.000 0.221 2526 G C 1.457 176.246 174.900 -0.185 0.000 1.152 2526 G CA 1.884 46.908 45.100 -0.126 0.000 0.765 2526 G HN 0.405 nan 8.290 nan 0.000 0.595 2527 S N -0.274 115.368 115.700 -0.096 0.000 2.522 2527 S HA 0.060 4.530 4.470 -0.001 0.000 0.227 2527 S C 2.000 176.525 174.600 -0.126 0.000 0.986 2527 S CA 0.816 58.975 58.200 -0.068 0.000 0.929 2527 S CB 0.129 63.347 63.200 0.030 0.000 0.769 2527 S HN 0.555 nan 8.310 nan 0.000 0.529 2528 R N 1.055 121.420 120.500 -0.226 0.000 2.066 2528 R HA 0.129 4.468 4.340 -0.001 0.000 0.224 2528 R C 2.056 178.103 176.300 -0.422 0.000 1.122 2528 R CA 0.907 56.825 56.100 -0.303 0.000 0.974 2528 R CB -0.171 29.886 30.300 -0.405 0.000 0.871 2528 R HN 0.250 nan 8.270 nan 0.000 0.435 2529 M N 0.247 119.484 119.600 -0.605 0.000 2.156 2529 M HA -0.070 4.409 4.480 -0.001 0.000 0.264 2529 M C 2.271 178.400 176.300 -0.286 0.000 1.067 2529 M CA 1.323 56.323 55.300 -0.500 0.000 1.131 2529 M CB -0.817 31.415 32.600 -0.614 0.000 1.368 2529 M HN 0.168 nan 8.290 nan 0.000 0.416 2530 R N 0.121 120.479 120.500 -0.237 0.000 2.170 2530 R HA -0.139 4.200 4.340 -0.001 0.000 0.242 2530 R C 2.053 178.265 176.300 -0.147 0.000 1.145 2530 R CA 1.538 57.545 56.100 -0.154 0.000 0.984 2530 R CB -0.028 30.201 30.300 -0.118 0.000 0.869 2530 R HN 0.387 nan 8.270 nan 0.000 0.455 2531 A N 0.429 123.148 122.820 -0.169 0.000 1.843 2531 A HA -0.032 4.288 4.320 -0.001 0.000 0.213 2531 A C 2.002 179.486 177.584 -0.167 0.000 1.239 2531 A CA 0.469 52.411 52.037 -0.159 0.000 0.606 2531 A CB -0.701 18.207 19.000 -0.155 0.000 0.903 2531 A HN 0.258 nan 8.150 nan 0.000 0.455 2532 L N 0.558 121.667 121.223 -0.191 0.000 2.123 2532 L HA -0.315 4.024 4.340 -0.001 0.000 0.217 2532 L C 3.033 179.806 176.870 -0.162 0.000 1.081 2532 L CA 2.214 56.941 54.840 -0.189 0.000 0.772 2532 L CB -0.910 41.016 42.059 -0.222 0.000 0.890 2532 L HN 0.762 nan 8.230 nan 0.000 0.437 2533 T N -3.655 110.811 114.554 -0.145 0.000 2.720 2533 T HA -0.186 4.163 4.350 -0.001 0.000 0.268 2533 T C 1.715 176.378 174.700 -0.062 0.000 1.037 2533 T CA 1.627 63.669 62.100 -0.097 0.000 1.144 2533 T CB -0.790 68.031 68.868 -0.078 0.000 0.864 2533 T HN 0.140 nan 8.240 nan 0.000 0.444 2534 V N 1.449 121.313 119.914 -0.084 0.000 2.379 2534 V HA -0.091 4.029 4.120 -0.001 0.000 0.245 2534 V C 2.978 179.036 176.094 -0.059 0.000 1.044 2534 V CA 1.345 63.604 62.300 -0.069 0.000 1.036 2534 V CB -0.578 31.157 31.823 -0.146 0.000 0.664 2534 V HN 0.446 nan 8.190 nan 0.000 0.453 2535 V N 0.640 120.478 119.914 -0.126 0.000 2.660 2535 V HA -0.167 3.952 4.120 -0.001 0.000 0.257 2535 V C 1.367 177.453 176.094 -0.013 0.000 1.088 2535 V CA 2.060 64.274 62.300 -0.144 0.000 1.106 2535 V CB -1.358 30.380 31.823 -0.143 0.000 0.686 2535 V HN 0.782 nan 8.190 nan 0.000 0.481 2536 T N -3.920 110.646 114.554 0.020 0.000 3.466 2536 T HA 0.629 4.978 4.350 -0.001 0.000 0.297 2536 T C 0.168 174.926 174.700 0.098 0.000 1.640 2536 T CA 0.406 62.540 62.100 0.057 0.000 1.631 2536 T CB 1.164 69.999 68.868 -0.054 0.000 0.928 2536 T HN 0.186 nan 8.240 nan 0.000 0.688 2537 S N 0.811 116.652 115.700 0.235 0.000 5.659 2537 S HA -0.016 4.453 4.470 -0.001 0.000 0.135 2537 S C 1.266 176.026 174.600 0.267 0.000 1.128 2537 S CA 0.437 58.751 58.200 0.191 0.000 1.392 2537 S CB -1.049 62.231 63.200 0.134 0.000 1.926 2537 S HN 0.678 nan 8.310 nan 0.000 0.537 2538 Y N 2.205 122.593 120.300 0.145 0.000 2.136 2538 Y HA -0.324 4.225 4.550 -0.001 0.000 0.271 2538 Y C 1.971 178.082 175.900 0.353 0.000 1.252 2538 Y CA 2.531 60.844 58.100 0.355 0.000 1.117 2538 Y CB -1.189 37.392 38.460 0.202 0.000 0.932 2538 Y HN 0.489 nan 8.280 nan 0.000 0.512 2539 E N 1.125 120.718 120.200 -1.012 0.000 2.045 2539 E HA -0.319 4.031 4.350 -0.001 0.000 0.212 2539 E C 2.476 178.964 176.600 -0.187 0.000 1.039 2539 E CA 2.320 58.284 56.400 -0.728 0.000 0.860 2539 E CB -0.480 28.867 29.700 -0.588 0.000 0.776 2539 E HN 0.557 nan 8.360 nan 0.000 0.467 2540 R N 0.169 120.609 120.500 -0.101 0.000 2.088 2540 R HA -0.203 4.137 4.340 -0.001 0.000 0.232 2540 R C 2.393 178.690 176.300 -0.004 0.000 1.136 2540 R CA 2.059 58.136 56.100 -0.038 0.000 0.926 2540 R CB -0.424 29.872 30.300 -0.005 0.000 0.837 2540 R HN 0.318 nan 8.270 nan 0.000 0.429 2541 E N -0.597 119.658 120.200 0.091 0.000 2.136 2541 E HA -0.317 4.033 4.350 -0.001 0.000 0.208 2541 E C 1.847 178.426 176.600 -0.035 0.000 1.035 2541 E CA 2.082 58.567 56.400 0.143 0.000 0.838 2541 E CB -0.493 29.481 29.700 0.457 0.000 0.748 2541 E HN 0.398 nan 8.360 nan 0.000 0.459 2542 Y N 2.443 122.584 120.300 -0.266 0.000 2.036 2542 Y HA -0.264 4.285 4.550 -0.001 0.000 0.273 2542 Y C 2.027 177.760 175.900 -0.278 0.000 1.135 2542 Y CA 1.765 59.584 58.100 -0.468 0.000 1.106 2542 Y CB -0.778 37.474 38.460 -0.345 0.000 0.976 2542 Y HN -0.015 nan 8.280 nan 0.000 0.483 2543 N N 0.836 119.323 118.700 -0.354 0.000 2.049 2543 N HA -0.242 4.498 4.740 -0.001 0.000 0.198 2543 N C 1.788 177.123 175.510 -0.292 0.000 1.030 2543 N CA 2.076 54.879 53.050 -0.410 0.000 0.870 2543 N CB -0.620 37.733 38.487 -0.223 0.000 1.045 2543 N HN 0.592 nan 8.380 nan 0.000 0.434 2544 E N 0.700 120.794 120.200 -0.176 0.000 2.065 2544 E HA -0.181 4.168 4.350 -0.001 0.000 0.201 2544 E C 2.279 178.797 176.600 -0.137 0.000 1.016 2544 E CA 0.965 57.294 56.400 -0.119 0.000 0.818 2544 E CB -0.270 29.393 29.700 -0.061 0.000 0.749 2544 E HN 0.289 nan 8.360 nan 0.000 0.453 2545 L N 0.350 121.477 121.223 -0.161 0.000 1.989 2545 L HA -0.230 4.109 4.340 -0.001 0.000 0.211 2545 L C 2.574 179.336 176.870 -0.179 0.000 1.071 2545 L CA 0.633 55.383 54.840 -0.151 0.000 0.749 2545 L CB -0.410 41.544 42.059 -0.175 0.000 0.890 2545 L HN 0.201 nan 8.230 nan 0.000 0.431 2546 L N 0.084 121.123 121.223 -0.306 0.000 1.970 2546 L HA -0.214 4.125 4.340 -0.001 0.000 0.212 2546 L C 2.660 179.409 176.870 -0.201 0.000 1.071 2546 L CA 2.253 56.907 54.840 -0.310 0.000 0.751 2546 L CB -1.070 40.623 42.059 -0.610 0.000 0.889 2546 L HN 0.199 nan 8.230 nan 0.000 0.432 2547 A N -0.657 122.039 122.820 -0.206 0.000 1.892 2547 A HA -0.326 3.994 4.320 -0.001 0.000 0.218 2547 A C 2.445 179.981 177.584 -0.081 0.000 1.188 2547 A CA 2.244 54.205 52.037 -0.128 0.000 0.631 2547 A CB -0.819 18.110 19.000 -0.119 0.000 0.822 2547 A HN 0.537 nan 8.150 nan 0.000 0.447 2548 K N -1.224 119.128 120.400 -0.081 0.000 2.442 2548 K HA -0.101 4.219 4.320 -0.001 0.000 0.199 2548 K C 1.472 178.051 176.600 -0.034 0.000 1.044 2548 K CA 0.967 57.227 56.287 -0.046 0.000 0.941 2548 K CB -0.138 32.334 32.500 -0.046 0.000 0.759 2548 K HN 0.369 nan 8.250 nan 0.000 0.472 2549 L N 0.534 121.725 121.223 -0.053 0.000 2.286 2549 L HA 0.067 4.406 4.340 -0.001 0.000 0.203 2549 L C 1.964 178.828 176.870 -0.010 0.000 1.068 2549 L CA 0.984 55.803 54.840 -0.036 0.000 0.811 2549 L CB -0.326 41.701 42.059 -0.054 0.000 0.989 2549 L HN -0.008 nan 8.230 nan 0.000 0.467 2550 R N 0.542 121.026 120.500 -0.027 0.000 2.096 2550 R HA -0.185 4.155 4.340 -0.001 0.000 0.240 2550 R C 1.905 178.219 176.300 0.023 0.000 1.139 2550 R CA 1.387 57.482 56.100 -0.008 0.000 0.952 2550 R CB -0.782 29.500 30.300 -0.029 0.000 0.854 2550 R HN 0.387 nan 8.270 nan 0.000 0.436 2551 K N 0.579 120.992 120.400 0.021 0.000 2.520 2551 K HA -0.073 4.247 4.320 -0.001 0.000 0.197 2551 K C 1.833 178.498 176.600 0.107 0.000 1.044 2551 K CA 0.782 57.097 56.287 0.045 0.000 0.938 2551 K CB 0.052 32.572 32.500 0.033 0.000 0.767 2551 K HN 0.029 nan 8.250 nan 0.000 0.481 2552 V N 0.619 120.612 119.914 0.133 0.000 2.795 2552 V HA -0.115 4.005 4.120 -0.001 0.000 0.243 2552 V C 1.547 177.810 176.094 0.280 0.000 1.069 2552 V CA 1.116 63.575 62.300 0.265 0.000 1.089 2552 V CB -0.061 31.857 31.823 0.158 0.000 0.756 2552 V HN 0.212 nan 8.190 nan 0.000 0.471 2553 D N 0.878 121.375 120.400 0.162 0.000 2.084 2553 D HA -0.166 4.473 4.640 -0.001 0.000 0.194 2553 D C 2.117 178.494 176.300 0.129 0.000 0.990 2553 D CA 1.290 55.378 54.000 0.145 0.000 0.826 2553 D CB -0.130 40.720 40.800 0.083 0.000 0.971 2553 D HN 0.366 nan 8.370 nan 0.000 0.453 2554 K N 0.789 121.240 120.400 0.084 0.000 2.034 2554 K HA -0.154 4.165 4.320 -0.001 0.000 0.214 2554 K C 2.174 178.794 176.600 0.034 0.000 1.051 2554 K CA 1.411 57.726 56.287 0.046 0.000 0.931 2554 K CB -0.225 32.290 32.500 0.025 0.000 0.715 2554 K HN 0.040 nan 8.250 nan 0.000 0.446 2555 A N 0.871 123.713 122.820 0.037 0.000 2.070 2555 A HA -0.102 4.217 4.320 -0.001 0.000 0.220 2555 A C 2.290 179.864 177.584 -0.017 0.000 1.159 2555 A CA 1.335 53.309 52.037 -0.106 0.000 0.656 2555 A CB -0.381 18.443 19.000 -0.294 0.000 0.800 2555 A HN 0.095 nan 8.150 nan 0.000 0.453 2556 V N -0.731 119.316 119.914 0.223 0.000 2.300 2556 V HA -0.159 3.960 4.120 -0.001 0.000 0.241 2556 V C 2.674 178.846 176.094 0.129 0.000 1.034 2556 V CA 1.923 64.398 62.300 0.291 0.000 1.021 2556 V CB -1.036 30.991 31.823 0.340 0.000 0.662 2556 V HN 0.531 nan 8.190 nan 0.000 0.458 2557 S N 0.770 116.524 115.700 0.090 0.000 2.380 2557 S HA -0.349 4.121 4.470 -0.001 0.000 0.229 2557 S C 2.233 176.836 174.600 0.006 0.000 1.050 2557 S CA 2.026 60.252 58.200 0.042 0.000 1.100 2557 S CB -0.863 62.355 63.200 0.031 0.000 0.984 2557 S HN 0.681 nan 8.310 nan 0.000 0.434 2558 A N 1.687 124.498 122.820 -0.015 0.000 1.863 2558 A HA -0.201 4.119 4.320 -0.001 0.000 0.218 2558 A C 2.189 179.718 177.584 -0.092 0.000 1.233 2558 A CA 2.102 54.108 52.037 -0.052 0.000 0.655 2558 A CB -1.226 17.730 19.000 -0.073 0.000 0.839 2558 A HN 0.469 nan 8.150 nan 0.000 0.454 2559 L N -1.173 119.969 121.223 -0.135 0.000 2.081 2559 L HA -0.296 4.044 4.340 -0.001 0.000 0.212 2559 L C 2.864 179.679 176.870 -0.092 0.000 1.080 2559 L CA 1.860 56.568 54.840 -0.220 0.000 0.754 2559 L CB -0.553 41.359 42.059 -0.245 0.000 0.893 2559 L HN 0.577 nan 8.230 nan 0.000 0.433 2560 Q N 1.343 121.131 119.800 -0.021 0.000 1.942 2560 Q HA -0.174 4.166 4.340 -0.001 0.000 0.203 2560 Q C 0.773 176.741 176.000 -0.053 0.000 0.987 2560 Q CA 1.630 57.424 55.803 -0.016 0.000 0.844 2560 Q CB -0.041 28.703 28.738 0.010 0.000 0.911 2560 Q HN 0.599 nan 8.270 nan 0.000 0.423 2561 E N -0.170 120.005 120.200 -0.042 0.000 2.136 2561 E HA 0.364 4.714 4.350 -0.001 0.000 0.246 2561 E C -1.092 175.481 176.600 -0.044 0.000 1.017 2561 E CA -0.253 56.122 56.400 -0.042 0.000 0.883 2561 E CB 0.515 30.201 29.700 -0.023 0.000 1.199 2561 E HN 0.057 nan 8.360 nan 0.000 0.447 2562 S N 3.177 118.837 115.700 -0.067 0.000 2.612 2562 S HA 0.047 4.517 4.470 -0.001 0.000 0.167 2562 S C 0.049 174.594 174.600 -0.092 0.000 0.961 2562 S CA -0.608 57.557 58.200 -0.058 0.000 1.085 2562 S CB 0.428 63.589 63.200 -0.065 0.000 1.477 2562 S HN 0.440 nan 8.310 nan 0.000 0.413 2563 D N 2.675 123.035 120.400 -0.067 0.000 2.182 2563 D HA -0.138 4.502 4.640 -0.001 0.000 0.201 2563 D C 1.689 177.906 176.300 -0.138 0.000 0.986 2563 D CA 0.798 54.741 54.000 -0.095 0.000 0.847 2563 D CB 0.059 40.832 40.800 -0.045 0.000 0.942 2563 D HN 0.622 nan 8.370 nan 0.000 0.467 2564 N N 1.348 120.013 118.700 -0.059 0.000 2.027 2564 N HA -0.208 4.531 4.740 -0.001 0.000 0.200 2564 N C 2.171 177.537 175.510 -0.239 0.000 1.042 2564 N CA 0.846 53.859 53.050 -0.063 0.000 0.871 2564 N CB -0.721 37.879 38.487 0.188 0.000 1.063 2564 N HN 0.223 nan 8.380 nan 0.000 0.438 2565 L N 1.648 122.725 121.223 -0.245 0.000 1.963 2565 L HA -0.247 4.093 4.340 -0.001 0.000 0.220 2565 L C 2.702 179.402 176.870 -0.284 0.000 1.076 2565 L CA 1.634 56.214 54.840 -0.433 0.000 0.772 2565 L CB -0.324 41.412 42.059 -0.539 0.000 0.892 2565 L HN 0.129 nan 8.230 nan 0.000 0.435 2566 R N -0.249 120.054 120.500 -0.329 0.000 2.159 2566 R HA -0.255 4.084 4.340 -0.001 0.000 0.252 2566 R C 2.094 178.298 176.300 -0.159 0.000 1.144 2566 R CA 2.174 58.111 56.100 -0.272 0.000 0.961 2566 R CB -0.692 29.467 30.300 -0.235 0.000 0.877 2566 R HN 0.618 nan 8.270 nan 0.000 0.444 2567 N N 0.167 118.681 118.700 -0.309 0.000 2.004 2567 N HA -0.168 4.571 4.740 -0.001 0.000 0.196 2567 N C 1.980 177.283 175.510 -0.346 0.000 1.064 2567 N CA 1.688 54.453 53.050 -0.474 0.000 0.855 2567 N CB -0.878 36.893 38.487 -1.194 0.000 1.056 2567 N HN 0.015 nan 8.380 nan 0.000 0.423 2568 V N 1.540 121.201 119.914 -0.421 0.000 2.311 2568 V HA -0.285 3.834 4.120 -0.001 0.000 0.259 2568 V C 2.186 178.308 176.094 0.046 0.000 1.086 2568 V CA 1.737 63.974 62.300 -0.105 0.000 1.078 2568 V CB -0.843 30.959 31.823 -0.035 0.000 0.668 2568 V HN 0.121 nan 8.190 nan 0.000 0.452 2569 F N 0.773 120.659 119.950 -0.105 0.000 2.126 2569 F HA -0.147 4.380 4.527 -0.001 0.000 0.299 2569 F C 2.387 178.286 175.800 0.165 0.000 1.096 2569 F CA 1.779 59.825 58.000 0.077 0.000 1.255 2569 F CB -0.662 38.316 39.000 -0.036 0.000 0.997 2569 F HN 0.253 nan 8.300 nan 0.000 0.479 2570 N N 0.130 118.944 118.700 0.190 0.000 2.135 2570 N HA -0.125 4.614 4.740 -0.001 0.000 0.186 2570 N C 2.151 177.726 175.510 0.109 0.000 1.027 2570 N CA 1.440 54.569 53.050 0.132 0.000 0.849 2570 N CB -0.781 37.734 38.487 0.047 0.000 1.002 2570 N HN 0.103 nan 8.380 nan 0.000 0.425 2571 V N 2.796 122.749 119.914 0.064 0.000 2.250 2571 V HA -0.267 3.853 4.120 -0.001 0.000 0.253 2571 V C 2.395 178.562 176.094 0.121 0.000 1.065 2571 V CA 1.599 63.951 62.300 0.087 0.000 1.039 2571 V CB -0.573 31.317 31.823 0.111 0.000 0.647 2571 V HN 0.261 nan 8.190 nan 0.000 0.446 2572 I N -0.656 119.977 120.570 0.105 0.000 2.264 2572 I HA -0.248 3.921 4.170 -0.001 0.000 0.248 2572 I C 2.406 178.532 176.117 0.015 0.000 1.111 2572 I CA 1.485 62.813 61.300 0.048 0.000 1.382 2572 I CB -0.418 37.500 38.000 -0.137 0.000 1.060 2572 I HN 0.369 nan 8.210 nan 0.000 0.418 2573 L N 1.331 122.624 121.223 0.116 0.000 2.017 2573 L HA -0.119 4.220 4.340 -0.001 0.000 0.208 2573 L C 2.562 179.503 176.870 0.118 0.000 1.073 2573 L CA 2.135 57.068 54.840 0.155 0.000 0.745 2573 L CB -1.089 41.117 42.059 0.244 0.000 0.894 2573 L HN 0.166 nan 8.230 nan 0.000 0.432 2574 A N -0.291 122.603 122.820 0.124 0.000 1.848 2574 A HA -0.245 4.074 4.320 -0.001 0.000 0.217 2574 A C 2.256 179.936 177.584 0.159 0.000 1.220 2574 A CA 3.043 55.157 52.037 0.128 0.000 0.645 2574 A CB -1.528 17.540 19.000 0.112 0.000 0.842 2574 A HN 0.333 nan 8.150 nan 0.000 0.451 2575 V N 0.028 120.039 119.914 0.162 0.000 2.236 2575 V HA -0.361 3.759 4.120 -0.001 0.000 0.255 2575 V C 2.798 179.053 176.094 0.268 0.000 1.068 2575 V CA 2.632 65.057 62.300 0.210 0.000 1.044 2575 V CB -1.751 30.227 31.823 0.258 0.000 0.653 2575 V HN 0.781 nan 8.190 nan 0.000 0.448 2576 G N 0.111 109.016 108.800 0.175 0.000 2.586 2576 G HA2 -0.372 3.588 3.960 -0.001 0.000 0.218 2576 G HA3 -0.372 3.588 3.960 -0.001 0.000 0.218 2576 G C 1.364 176.326 174.900 0.102 0.000 1.216 2576 G CA 1.267 46.413 45.100 0.077 0.000 0.786 2576 G HN 0.566 nan 8.290 nan 0.000 0.583 2577 N N 0.316 119.081 118.700 0.109 0.000 2.049 2577 N HA -0.194 4.545 4.740 -0.001 0.000 0.198 2577 N C 1.917 177.493 175.510 0.109 0.000 1.030 2577 N CA 1.641 54.748 53.050 0.096 0.000 0.870 2577 N CB -0.605 37.947 38.487 0.108 0.000 1.045 2577 N HN 0.382 nan 8.380 nan 0.000 0.434 2578 F N 1.985 121.963 119.950 0.046 0.000 2.011 2578 F HA -0.138 4.388 4.527 -0.001 0.000 0.296 2578 F C 2.451 178.276 175.800 0.042 0.000 1.144 2578 F CA 1.592 59.619 58.000 0.046 0.000 1.185 2578 F CB -0.451 38.583 39.000 0.057 0.000 0.961 2578 F HN -0.061 nan 8.300 nan 0.000 0.485 2579 M N 0.590 120.344 119.600 0.257 0.000 2.703 2579 M HA -0.173 4.306 4.480 -0.001 0.000 0.253 2579 M C -0.446 175.846 176.300 -0.012 0.000 1.060 2579 M CA 0.794 56.177 55.300 0.138 0.000 1.059 2579 M CB -0.886 31.874 32.600 0.268 0.000 1.399 2579 M HN 0.142 nan 8.290 nan 0.000 0.526 2580 N N 1.306 119.976 118.700 -0.050 0.000 2.370 2580 N HA 0.170 4.910 4.740 -0.001 0.000 0.303 2580 N C -0.844 174.610 175.510 -0.094 0.000 1.103 2580 N CA -0.503 52.514 53.050 -0.056 0.000 0.848 2580 N CB 1.117 39.586 38.487 -0.030 0.000 1.235 2580 N HN 0.089 nan 8.380 nan 0.000 0.496 2581 D N -0.875 119.480 120.400 -0.075 0.000 2.319 2581 D HA -0.089 4.550 4.640 -0.001 0.000 0.235 2581 D C 0.339 176.600 176.300 -0.065 0.000 1.304 2581 D CA 0.019 53.973 54.000 -0.076 0.000 0.894 2581 D CB -0.374 40.395 40.800 -0.051 0.000 1.183 2581 D HN 0.446 nan 8.370 nan 0.000 0.472 2582 T N -2.918 111.601 114.554 -0.058 0.000 4.282 2582 T HA 0.348 4.698 4.350 -0.001 0.000 0.231 2582 T C 0.650 175.334 174.700 -0.026 0.000 1.004 2582 T CA 0.090 62.165 62.100 -0.041 0.000 1.146 2582 T CB -1.141 67.706 68.868 -0.036 0.000 1.285 2582 T HN 0.590 nan 8.240 nan 0.000 0.971 2583 S N 0.875 116.561 115.700 -0.022 0.000 2.453 2583 S HA 0.058 4.527 4.470 -0.001 0.000 0.185 2583 S C 0.479 175.074 174.600 -0.009 0.000 0.794 2583 S CA -0.758 57.434 58.200 -0.013 0.000 1.376 2583 S CB -0.454 62.738 63.200 -0.014 0.000 0.954 2583 S HN 0.470 nan 8.310 nan 0.000 0.339 2584 K N 2.763 123.156 120.400 -0.012 0.000 3.233 2584 K HA 0.209 4.529 4.320 -0.001 0.000 0.283 2584 K C -0.529 176.074 176.600 0.005 0.000 1.209 2584 K CA 0.003 56.287 56.287 -0.006 0.000 1.197 2584 K CB -0.147 32.345 32.500 -0.013 0.000 1.431 2584 K HN 0.359 nan 8.250 nan 0.000 0.326 2585 Q N 0.965 120.770 119.800 0.008 0.000 2.513 2585 Q HA 0.141 4.481 4.340 -0.001 0.000 0.227 2585 Q C -0.090 175.926 176.000 0.026 0.000 1.257 2585 Q CA -0.031 55.784 55.803 0.019 0.000 0.915 2585 Q CB 0.323 29.071 28.738 0.016 0.000 1.507 2585 Q HN 0.305 nan 8.270 nan 0.000 0.543 2586 A N 2.372 125.213 122.820 0.036 0.000 2.354 2586 A HA 0.222 4.541 4.320 -0.001 0.000 0.269 2586 A C 0.911 178.527 177.584 0.054 0.000 1.109 2586 A CA -0.375 51.690 52.037 0.047 0.000 0.800 2586 A CB 0.603 19.641 19.000 0.064 0.000 1.045 2586 A HN 0.444 nan 8.150 nan 0.000 0.489 2587 Q N 0.668 120.493 119.800 0.041 0.000 2.354 2587 Q HA 0.218 4.558 4.340 -0.001 0.000 0.203 2587 Q C 0.771 176.791 176.000 0.034 0.000 0.933 2587 Q CA 1.123 56.944 55.803 0.029 0.000 0.901 2587 Q CB 0.646 29.388 28.738 0.006 0.000 1.007 2587 Q HN 1.020 nan 8.270 nan 0.000 0.495 2588 G N 0.419 109.252 108.800 0.055 0.000 2.451 2588 G HA2 0.423 4.383 3.960 -0.001 0.000 0.292 2588 G HA3 0.423 4.383 3.960 -0.001 0.000 0.292 2588 G C -1.680 173.291 174.900 0.118 0.000 1.427 2588 G CA -0.828 44.302 45.100 0.050 0.000 0.792 2588 G HN 0.080 nan 8.290 nan 0.000 0.498 2589 F N -0.874 119.087 119.950 0.018 0.000 2.611 2589 F HA 0.902 5.429 4.527 -0.001 0.000 0.324 2589 F C -0.093 175.722 175.800 0.025 0.000 1.061 2589 F CA -1.438 56.559 58.000 -0.006 0.000 0.954 2589 F CB 1.981 40.948 39.000 -0.056 0.000 1.301 2589 F HN 0.577 nan 8.300 nan 0.000 0.482 2590 K N 1.019 121.513 120.400 0.157 0.000 2.098 2590 K HA 0.407 4.727 4.320 -0.001 0.000 0.257 2590 K C 0.539 177.221 176.600 0.137 0.000 0.999 2590 K CA -0.680 55.650 56.287 0.072 0.000 0.924 2590 K CB 1.277 33.814 32.500 0.062 0.000 1.028 2590 K HN 0.803 nan 8.250 nan 0.000 0.466 2591 L N 2.063 123.310 121.223 0.041 0.000 2.187 2591 L HA -0.245 4.094 4.340 -0.001 0.000 0.213 2591 L C 2.308 179.153 176.870 -0.042 0.000 1.100 2591 L CA 1.802 56.622 54.840 -0.034 0.000 0.765 2591 L CB -0.836 41.057 42.059 -0.276 0.000 0.904 2591 L HN 0.896 nan 8.230 nan 0.000 0.437 2592 S N -1.855 113.836 115.700 -0.014 0.000 2.381 2592 S HA -0.352 4.117 4.470 -0.001 0.000 0.230 2592 S C 2.033 176.579 174.600 -0.091 0.000 1.052 2592 S CA 2.094 60.271 58.200 -0.038 0.000 1.068 2592 S CB -1.301 61.891 63.200 -0.013 0.000 0.918 2592 S HN 0.481 nan 8.310 nan 0.000 0.448 2593 T N 3.287 117.805 114.554 -0.059 0.000 2.721 2593 T HA -0.056 4.293 4.350 -0.001 0.000 0.268 2593 T C 1.673 176.224 174.700 -0.249 0.000 1.038 2593 T CA 1.649 63.643 62.100 -0.176 0.000 1.145 2593 T CB -0.663 68.092 68.868 -0.187 0.000 0.858 2593 T HN 0.372 nan 8.240 nan 0.000 0.459 2594 L N 1.198 122.308 121.223 -0.189 0.000 2.043 2594 L HA -0.265 4.075 4.340 -0.001 0.000 0.212 2594 L C 3.009 179.875 176.870 -0.008 0.000 1.075 2594 L CA 2.204 56.938 54.840 -0.176 0.000 0.752 2594 L CB -0.992 40.898 42.059 -0.281 0.000 0.891 2594 L HN 0.557 nan 8.230 nan 0.000 0.432 2595 Q N 1.603 121.366 119.800 -0.061 0.000 2.050 2595 Q HA -0.227 4.112 4.340 -0.001 0.000 0.202 2595 Q C 1.847 177.726 176.000 -0.202 0.000 0.980 2595 Q CA 1.634 57.410 55.803 -0.046 0.000 0.840 2595 Q CB -0.492 28.204 28.738 -0.070 0.000 0.898 2595 Q HN 0.576 nan 8.270 nan 0.000 0.424 2596 R N 0.638 120.849 120.500 -0.482 0.000 2.346 2596 R HA 0.095 4.435 4.340 -0.001 0.000 0.208 2596 R C 1.168 177.261 176.300 -0.344 0.000 1.052 2596 R CA 0.279 55.869 56.100 -0.850 0.000 1.116 2596 R CB -0.212 29.548 30.300 -0.899 0.000 1.003 2596 R HN 0.329 nan 8.270 nan 0.000 0.482 2597 L N 0.675 121.815 121.223 -0.138 0.000 2.529 2597 L HA 0.044 4.383 4.340 -0.001 0.000 0.223 2597 L C 1.603 178.568 176.870 0.159 0.000 1.113 2597 L CA 0.833 55.631 54.840 -0.071 0.000 0.861 2597 L CB 0.358 42.421 42.059 0.006 0.000 1.012 2597 L HN 0.351 nan 8.230 nan 0.000 0.461 2598 T N -4.571 110.130 114.554 0.246 0.000 3.186 2598 T HA 0.106 4.456 4.350 -0.001 0.000 0.257 2598 T C 1.126 176.059 174.700 0.389 0.000 1.029 2598 T CA -0.117 62.163 62.100 0.300 0.000 0.916 2598 T CB -0.095 68.930 68.868 0.260 0.000 1.041 2598 T HN -0.042 nan 8.240 nan 0.000 0.562 2599 F N 1.342 121.315 119.950 0.037 0.000 2.220 2599 F HA 0.484 5.011 4.527 -0.001 0.000 0.290 2599 F C 0.829 176.648 175.800 0.031 0.000 1.080 2599 F CA -1.161 56.852 58.000 0.021 0.000 1.318 2599 F CB -0.137 38.855 39.000 -0.012 0.000 1.063 2599 F HN 0.165 nan 8.300 nan 0.000 0.498 2600 I N 1.379 122.087 120.570 0.230 0.000 2.337 2600 I HA 0.100 4.270 4.170 -0.001 0.000 0.291 2600 I C 0.157 176.374 176.117 0.168 0.000 1.046 2600 I CA -0.121 61.273 61.300 0.157 0.000 1.324 2600 I CB 0.295 38.375 38.000 0.132 0.000 1.409 2600 I HN -0.089 nan 8.210 nan 0.000 0.494 2601 K N 5.197 125.664 120.400 0.111 0.000 2.132 2601 K HA 0.311 4.631 4.320 -0.001 0.000 0.241 2601 K C 0.335 176.982 176.600 0.079 0.000 1.000 2601 K CA -0.823 55.529 56.287 0.109 0.000 0.911 2601 K CB 1.043 33.591 32.500 0.079 0.000 1.093 2601 K HN 0.595 nan 8.250 nan 0.000 0.460 2602 D N -0.053 120.408 120.400 0.101 0.000 1.794 2602 D HA -0.115 4.525 4.640 -0.001 0.000 0.292 2602 D C 1.050 177.386 176.300 0.061 0.000 1.061 2602 D CA 1.116 55.164 54.000 0.080 0.000 0.940 2602 D CB -0.399 40.515 40.800 0.190 0.000 1.238 2602 D HN 0.635 nan 8.370 nan 0.000 0.432 2603 T N -4.851 109.742 114.554 0.065 0.000 2.955 2603 T HA 0.052 4.401 4.350 -0.001 0.000 0.251 2603 T C 1.791 176.515 174.700 0.039 0.000 1.002 2603 T CA 0.800 62.927 62.100 0.044 0.000 0.970 2603 T CB -0.550 68.342 68.868 0.040 0.000 1.091 2603 T HN 0.480 nan 8.240 nan 0.000 0.495 2604 T N -0.074 114.509 114.554 0.047 0.000 3.081 2604 T HA 0.141 4.490 4.350 -0.001 0.000 0.255 2604 T C 0.653 175.371 174.700 0.029 0.000 1.113 2604 T CA 0.356 62.475 62.100 0.032 0.000 1.082 2604 T CB -0.795 68.090 68.868 0.029 0.000 0.939 2604 T HN 0.348 nan 8.240 nan 0.000 0.506 2605 N N 1.019 119.744 118.700 0.043 0.000 2.735 2605 N HA -0.184 4.555 4.740 -0.001 0.000 0.248 2605 N C 0.953 176.483 175.510 0.032 0.000 1.083 2605 N CA 0.971 54.044 53.050 0.038 0.000 0.703 2605 N CB -1.600 36.899 38.487 0.020 0.000 1.005 2605 N HN 0.746 nan 8.380 nan 0.000 0.550 2606 S N -2.006 113.718 115.700 0.041 0.000 2.517 2606 S HA 0.287 4.757 4.470 -0.001 0.000 0.228 2606 S C 0.617 175.235 174.600 0.030 0.000 1.060 2606 S CA -0.062 58.150 58.200 0.021 0.000 0.937 2606 S CB 0.592 63.794 63.200 0.004 0.000 0.840 2606 S HN 0.202 nan 8.310 nan 0.000 0.546 2607 M N 1.608 121.245 119.600 0.062 0.000 2.456 2607 M HA 0.462 4.941 4.480 -0.001 0.000 0.324 2607 M C -0.623 175.803 176.300 0.210 0.000 1.124 2607 M CA -0.336 55.013 55.300 0.082 0.000 0.959 2607 M CB 2.235 34.820 32.600 -0.026 0.000 1.692 2607 M HN 0.203 nan 8.290 nan 0.000 0.444 2608 T N 0.105 114.781 114.554 0.204 0.000 2.934 2608 T HA 0.307 4.657 4.350 -0.001 0.000 0.283 2608 T C 0.796 175.707 174.700 0.353 0.000 1.005 2608 T CA -0.352 61.897 62.100 0.248 0.000 1.041 2608 T CB 0.576 69.564 68.868 0.199 0.000 1.042 2608 T HN 0.575 nan 8.240 nan 0.000 0.505 2609 F N 2.843 122.868 119.950 0.125 0.000 2.127 2609 F HA -0.228 4.299 4.527 -0.001 0.000 0.299 2609 F C 1.689 177.597 175.800 0.180 0.000 1.068 2609 F CA 1.796 59.822 58.000 0.044 0.000 1.263 2609 F CB -0.114 38.874 39.000 -0.020 0.000 1.016 2609 F HN 0.545 nan 8.300 nan 0.000 0.491 2610 L N 1.108 122.625 121.223 0.490 0.000 1.976 2610 L HA -0.255 4.084 4.340 -0.001 0.000 0.209 2610 L C 1.904 178.919 176.870 0.241 0.000 1.071 2610 L CA 2.375 57.450 54.840 0.391 0.000 0.746 2610 L CB -1.248 40.983 42.059 0.286 0.000 0.890 2610 L HN 0.113 nan 8.230 nan 0.000 0.432 2611 N N -1.325 117.476 118.700 0.169 0.000 2.069 2611 N HA -0.292 4.448 4.740 -0.001 0.000 0.196 2611 N C 1.586 177.094 175.510 -0.004 0.000 1.024 2611 N CA 2.244 55.311 53.050 0.027 0.000 0.869 2611 N CB -0.760 37.718 38.487 -0.015 0.000 1.035 2611 N HN 0.403 nan 8.380 nan 0.000 0.434 2612 Y N 1.014 121.259 120.300 -0.092 0.000 2.006 2612 Y HA -0.231 4.318 4.550 -0.001 0.000 0.266 2612 Y C 2.551 178.403 175.900 -0.080 0.000 1.133 2612 Y CA 1.132 59.145 58.100 -0.145 0.000 1.098 2612 Y CB -1.076 37.191 38.460 -0.321 0.000 0.969 2612 Y HN -0.173 nan 8.280 nan 0.000 0.482 2613 V N 0.439 120.434 119.914 0.136 0.000 2.242 2613 V HA -0.416 3.703 4.120 -0.001 0.000 0.257 2613 V C 2.466 178.708 176.094 0.246 0.000 1.073 2613 V CA 2.471 64.901 62.300 0.216 0.000 1.058 2613 V CB -0.734 31.306 31.823 0.361 0.000 0.664 2613 V HN 0.520 nan 8.190 nan 0.000 0.451 2614 E N -0.159 120.148 120.200 0.178 0.000 2.097 2614 E HA -0.297 4.053 4.350 -0.001 0.000 0.196 2614 E C 2.280 178.892 176.600 0.021 0.000 1.000 2614 E CA 2.274 58.675 56.400 0.001 0.000 0.804 2614 E CB -0.109 29.313 29.700 -0.463 0.000 0.740 2614 E HN 0.651 nan 8.360 nan 0.000 0.454 2615 K N 0.023 120.416 120.400 -0.011 0.000 2.044 2615 K HA 0.042 4.362 4.320 -0.001 0.000 0.204 2615 K C 2.285 178.910 176.600 0.040 0.000 1.049 2615 K CA 0.728 57.000 56.287 -0.025 0.000 0.945 2615 K CB -0.111 32.331 32.500 -0.096 0.000 0.724 2615 K HN 0.072 nan 8.250 nan 0.000 0.440 2616 I N 0.959 121.573 120.570 0.073 0.000 3.055 2616 I HA -0.240 3.930 4.170 -0.001 0.000 0.277 2616 I C 1.374 177.623 176.117 0.220 0.000 1.306 2616 I CA 0.554 61.923 61.300 0.115 0.000 1.426 2616 I CB 0.050 38.125 38.000 0.125 0.000 1.081 2616 I HN 0.063 nan 8.210 nan 0.000 0.502 2617 V N -0.311 119.754 119.914 0.251 0.000 2.840 2617 V HA -0.027 4.093 4.120 -0.001 0.000 0.234 2617 V C 2.330 178.579 176.094 0.260 0.000 1.159 2617 V CA 0.628 63.162 62.300 0.390 0.000 1.194 2617 V CB -0.290 31.828 31.823 0.492 0.000 0.971 2617 V HN 0.284 nan 8.190 nan 0.000 0.494 2618 R N 0.141 120.740 120.500 0.164 0.000 2.193 2618 R HA -0.046 4.294 4.340 -0.001 0.000 0.229 2618 R C 1.989 178.296 176.300 0.011 0.000 1.110 2618 R CA 1.287 57.435 56.100 0.079 0.000 0.988 2618 R CB -0.119 30.200 30.300 0.032 0.000 0.871 2618 R HN 0.456 nan 8.270 nan 0.000 0.458 2619 L N -0.456 120.764 121.223 -0.004 0.000 2.127 2619 L HA -0.026 4.313 4.340 -0.001 0.000 0.203 2619 L C 1.602 178.395 176.870 -0.128 0.000 1.080 2619 L CA 1.340 56.145 54.840 -0.058 0.000 0.768 2619 L CB -0.306 41.720 42.059 -0.055 0.000 0.924 2619 L HN 0.305 nan 8.230 nan 0.000 0.444 2620 N N -1.173 117.414 118.700 -0.189 0.000 2.436 2620 N HA -0.009 4.731 4.740 -0.001 0.000 0.178 2620 N C -0.157 174.933 175.510 -0.701 0.000 1.026 2620 N CA 0.454 53.192 53.050 -0.520 0.000 0.880 2620 N CB 0.434 38.455 38.487 -0.777 0.000 1.061 2620 N HN 0.201 nan 8.380 nan 0.000 0.434 2621 Y N 0.428 120.643 120.300 -0.143 0.000 2.480 2621 Y HA 0.366 4.916 4.550 -0.001 0.000 0.356 2621 Y C -2.106 173.593 175.900 -0.333 0.000 0.922 2621 Y CA -2.209 55.669 58.100 -0.370 0.000 1.146 2621 Y CB 0.330 38.319 38.460 -0.785 0.000 1.185 2621 Y HN 0.028 nan 8.280 nan 0.000 0.624 2622 P HA -0.126 nan 4.420 nan 0.000 0.231 2622 P C 0.711 178.020 177.300 0.015 0.000 1.154 2622 P CA 1.066 64.174 63.100 0.013 0.000 0.762 2622 P CB 0.307 32.000 31.700 -0.012 0.000 0.790 2623 S N -1.395 114.266 115.700 -0.064 0.000 2.527 2623 S HA 0.051 4.521 4.470 -0.001 0.000 0.222 2623 S C 1.276 175.981 174.600 0.175 0.000 0.985 2623 S CA 0.362 58.561 58.200 -0.002 0.000 0.921 2623 S CB -0.567 62.595 63.200 -0.062 0.000 0.772 2623 S HN 0.078 nan 8.310 nan 0.000 0.529 2624 F N 2.334 122.388 119.950 0.173 0.000 2.219 2624 F HA 0.163 4.689 4.527 -0.001 0.000 0.294 2624 F C 1.735 177.667 175.800 0.221 0.000 1.086 2624 F CA -0.127 58.002 58.000 0.215 0.000 1.330 2624 F CB -1.370 37.785 39.000 0.258 0.000 1.047 2624 F HN 0.098 nan 8.300 nan 0.000 0.495 2625 N N 0.657 119.560 118.700 0.338 0.000 2.724 2625 N HA -0.135 4.604 4.740 -0.001 0.000 0.198 2625 N C 0.904 176.391 175.510 -0.038 0.000 1.301 2625 N CA 0.494 53.596 53.050 0.086 0.000 0.942 2625 N CB -0.553 37.990 38.487 0.093 0.000 1.033 2625 N HN 0.218 nan 8.380 nan 0.000 0.447 2626 D N -0.829 119.623 120.400 0.087 0.000 2.347 2626 D HA -0.075 4.564 4.640 -0.001 0.000 0.215 2626 D C 1.454 177.788 176.300 0.056 0.000 0.976 2626 D CA 0.240 54.274 54.000 0.057 0.000 0.884 2626 D CB 0.029 40.892 40.800 0.105 0.000 0.915 2626 D HN 0.445 nan 8.370 nan 0.000 0.526 2627 F N 0.534 120.532 119.950 0.080 0.000 2.325 2627 F HA 0.030 4.557 4.527 -0.000 0.000 0.299 2627 F C 1.791 177.601 175.800 0.016 0.000 1.090 2627 F CA 0.477 58.493 58.000 0.027 0.000 1.392 2627 F CB -0.919 38.082 39.000 0.002 0.000 1.053 2627 F HN -0.168 nan 8.300 nan 0.000 0.521 2628 L N 0.833 121.666 121.223 -0.651 0.000 2.191 2628 L HA -0.166 4.173 4.340 -0.001 0.000 0.212 2628 L C 2.529 179.351 176.870 -0.080 0.000 1.103 2628 L CA 1.547 56.159 54.840 -0.380 0.000 0.769 2628 L CB -0.790 41.032 42.059 -0.395 0.000 0.908 2628 L HN 0.482 nan 8.230 nan 0.000 0.438 2629 S N -2.143 113.525 115.700 -0.054 0.000 2.535 2629 S HA 0.037 4.507 4.470 -0.001 0.000 0.214 2629 S C 1.432 176.044 174.600 0.019 0.000 0.980 2629 S CA -0.177 58.016 58.200 -0.011 0.000 0.907 2629 S CB 0.118 63.310 63.200 -0.013 0.000 0.790 2629 S HN 0.446 nan 8.310 nan 0.000 0.510 2630 E N 1.096 121.328 120.200 0.054 0.000 2.216 2630 E HA 0.225 4.574 4.350 -0.001 0.000 0.192 2630 E C 0.623 177.244 176.600 0.035 0.000 0.973 2630 E CA 0.354 56.786 56.400 0.054 0.000 0.851 2630 E CB -0.037 29.713 29.700 0.084 0.000 0.804 2630 E HN 0.494 nan 8.360 nan 0.000 0.477 2631 L N 1.828 123.090 121.223 0.065 0.000 2.888 2631 L HA 0.108 4.447 4.340 -0.001 0.000 0.237 2631 L C 1.795 178.662 176.870 -0.004 0.000 1.288 2631 L CA -0.228 54.614 54.840 0.005 0.000 1.110 2631 L CB -0.000 42.075 42.059 0.027 0.000 1.441 2631 L HN 0.019 nan 8.230 nan 0.000 0.474 2632 E N 2.161 122.361 120.200 -0.001 0.000 2.023 2632 E HA -0.173 4.177 4.350 -0.001 0.000 0.196 2632 E C -0.454 176.130 176.600 -0.026 0.000 1.003 2632 E CA 1.767 58.163 56.400 -0.007 0.000 0.809 2632 E CB -0.857 28.840 29.700 -0.005 0.000 0.755 2632 E HN 0.328 nan 8.360 nan 0.000 0.449 2633 P HA -0.093 nan 4.420 nan 0.000 0.218 2633 P C 1.701 178.934 177.300 -0.112 0.000 1.148 2633 P CA 0.925 63.992 63.100 -0.056 0.000 0.822 2633 P CB -0.091 31.581 31.700 -0.046 0.000 0.784 2634 V N -0.370 119.443 119.914 -0.169 0.000 2.660 2634 V HA -0.197 3.923 4.120 -0.001 0.000 0.257 2634 V C 2.552 178.554 176.094 -0.155 0.000 1.088 2634 V CA 1.503 63.629 62.300 -0.290 0.000 1.106 2634 V CB -1.022 30.647 31.823 -0.256 0.000 0.686 2634 V HN 0.081 nan 8.190 nan 0.000 0.481 2635 L N -1.182 120.002 121.223 -0.065 0.000 2.316 2635 L HA 0.075 4.415 4.340 -0.001 0.000 0.207 2635 L C 2.086 178.954 176.870 -0.004 0.000 1.070 2635 L CA 0.777 55.610 54.840 -0.012 0.000 0.820 2635 L CB -0.290 41.775 42.059 0.010 0.000 0.992 2635 L HN 0.227 nan 8.230 nan 0.000 0.466 2636 D N -0.545 119.846 120.400 -0.015 0.000 2.265 2636 D HA -0.156 4.484 4.640 -0.001 0.000 0.208 2636 D C 1.317 177.627 176.300 0.017 0.000 0.977 2636 D CA 0.850 54.850 54.000 -0.000 0.000 0.871 2636 D CB 0.414 41.211 40.800 -0.006 0.000 0.925 2636 D HN 0.010 nan 8.370 nan 0.000 0.485 2637 V N -0.085 119.840 119.914 0.019 0.000 3.017 2637 V HA 0.156 4.275 4.120 -0.001 0.000 0.354 2637 V C 0.990 177.175 176.094 0.152 0.000 1.389 2637 V CA -0.121 62.227 62.300 0.080 0.000 1.163 2637 V CB 0.920 32.811 31.823 0.113 0.000 1.178 2637 V HN 0.047 nan 8.190 nan 0.000 0.547 2638 V N 1.279 121.260 119.914 0.111 0.000 3.380 2638 V HA -0.070 4.050 4.120 -0.001 0.000 0.268 2638 V C 2.186 178.367 176.094 0.144 0.000 1.168 2638 V CA 2.187 64.588 62.300 0.168 0.000 1.156 2638 V CB -0.187 31.701 31.823 0.110 0.000 0.785 2638 V HN 0.801 nan 8.190 nan 0.000 0.487 2639 K N -0.567 119.896 120.400 0.106 0.000 2.137 2639 K HA 0.078 4.398 4.320 -0.001 0.000 0.202 2639 K C 0.804 177.447 176.600 0.071 0.000 1.052 2639 K CA 0.513 56.845 56.287 0.075 0.000 0.961 2639 K CB -0.493 32.040 32.500 0.054 0.000 0.741 2639 K HN 0.317 nan 8.250 nan 0.000 0.452 2640 V N 3.333 123.299 119.914 0.088 0.000 2.434 2640 V HA -0.073 4.046 4.120 -0.001 0.000 0.281 2640 V C 0.233 176.347 176.094 0.033 0.000 1.005 2640 V CA 0.133 62.469 62.300 0.060 0.000 1.089 2640 V CB 0.645 32.512 31.823 0.073 0.000 0.978 2640 V HN 0.377 nan 8.190 nan 0.000 0.474 2641 S N 5.404 121.107 115.700 0.004 0.000 2.443 2641 S HA 0.101 4.570 4.470 -0.001 0.000 0.284 2641 S C 1.017 175.573 174.600 -0.073 0.000 1.206 2641 S CA -0.601 57.585 58.200 -0.023 0.000 1.074 2641 S CB 0.103 63.295 63.200 -0.014 0.000 0.963 2641 S HN 0.595 nan 8.310 nan 0.000 0.501 2642 I N 5.319 125.806 120.570 -0.138 0.000 2.099 2642 I HA -0.107 4.063 4.170 -0.001 0.000 0.239 2642 I C 2.277 178.282 176.117 -0.187 0.000 1.066 2642 I CA 1.828 62.974 61.300 -0.257 0.000 1.324 2642 I CB -0.553 37.150 38.000 -0.495 0.000 1.037 2642 I HN 0.771 nan 8.210 nan 0.000 0.401 2643 E N 0.165 120.280 120.200 -0.141 0.000 2.048 2643 E HA -0.347 4.002 4.350 -0.001 0.000 0.202 2643 E C 2.150 178.713 176.600 -0.062 0.000 1.021 2643 E CA 2.091 58.437 56.400 -0.090 0.000 0.825 2643 E CB -0.552 29.116 29.700 -0.055 0.000 0.756 2643 E HN 0.577 nan 8.360 nan 0.000 0.454 2644 Q N 0.035 119.808 119.800 -0.045 0.000 2.014 2644 Q HA -0.187 4.153 4.340 -0.001 0.000 0.207 2644 Q C 2.166 178.149 176.000 -0.028 0.000 0.993 2644 Q CA 2.070 57.858 55.803 -0.024 0.000 0.850 2644 Q CB -0.986 27.744 28.738 -0.014 0.000 0.916 2644 Q HN 0.388 nan 8.270 nan 0.000 0.417 2645 L N -0.246 120.950 121.223 -0.045 0.000 2.051 2645 L HA -0.176 4.163 4.340 -0.001 0.000 0.214 2645 L C 2.245 179.088 176.870 -0.044 0.000 1.076 2645 L CA 1.809 56.622 54.840 -0.046 0.000 0.758 2645 L CB -0.951 41.067 42.059 -0.068 0.000 0.890 2645 L HN 0.255 nan 8.230 nan 0.000 0.433 2646 V N 0.248 120.124 119.914 -0.063 0.000 2.261 2646 V HA -0.315 3.804 4.120 -0.001 0.000 0.246 2646 V C 2.425 178.511 176.094 -0.014 0.000 1.047 2646 V CA 2.142 64.411 62.300 -0.051 0.000 1.015 2646 V CB -0.738 31.042 31.823 -0.070 0.000 0.642 2646 V HN 0.571 nan 8.190 nan 0.000 0.446 2647 N N -0.056 118.638 118.700 -0.010 0.000 2.084 2647 N HA -0.167 4.572 4.740 -0.001 0.000 0.190 2647 N C 1.575 177.105 175.510 0.033 0.000 1.030 2647 N CA 1.575 54.631 53.050 0.011 0.000 0.849 2647 N CB -0.598 37.893 38.487 0.006 0.000 1.012 2647 N HN 0.487 nan 8.380 nan 0.000 0.423 2648 D N 0.873 121.291 120.400 0.030 0.000 2.172 2648 D HA -0.148 4.491 4.640 -0.001 0.000 0.196 2648 D C 1.930 178.291 176.300 0.101 0.000 0.999 2648 D CA 0.828 54.861 54.000 0.056 0.000 0.856 2648 D CB -0.143 40.678 40.800 0.036 0.000 0.934 2648 D HN 0.292 nan 8.370 nan 0.000 0.453 2649 C N 0.355 119.701 119.300 0.077 0.000 2.500 2649 C HA -0.025 4.434 4.460 -0.001 0.000 0.279 2649 C C 2.597 177.672 174.990 0.143 0.000 1.288 2649 C CA 0.028 59.115 59.018 0.114 0.000 1.710 2649 C CB -0.596 27.174 27.740 0.050 0.000 2.052 2649 C HN 0.352 nan 8.230 nan 0.000 0.488 2650 K N 0.938 121.386 120.400 0.080 0.000 2.089 2650 K HA -0.232 4.087 4.320 -0.001 0.000 0.210 2650 K C 1.361 178.005 176.600 0.073 0.000 1.048 2650 K CA 2.179 58.504 56.287 0.063 0.000 0.926 2650 K CB -0.172 32.348 32.500 0.033 0.000 0.714 2650 K HN 0.441 nan 8.250 nan 0.000 0.448 2651 D N -0.488 119.960 120.400 0.081 0.000 2.183 2651 D HA -0.122 4.517 4.640 -0.001 0.000 0.203 2651 D C 1.570 177.921 176.300 0.085 0.000 0.969 2651 D CA 0.635 54.674 54.000 0.065 0.000 0.842 2651 D CB -0.228 40.605 40.800 0.056 0.000 0.957 2651 D HN 0.200 nan 8.370 nan 0.000 0.484 2652 F N 1.816 121.779 119.950 0.021 0.000 2.069 2652 F HA -0.248 4.279 4.527 -0.001 0.000 0.298 2652 F C 2.390 178.202 175.800 0.021 0.000 1.113 2652 F CA 1.453 59.472 58.000 0.032 0.000 1.214 2652 F CB -0.195 38.838 39.000 0.054 0.000 0.978 2652 F HN -0.172 nan 8.300 nan 0.000 0.474 2653 S N -0.177 115.626 115.700 0.172 0.000 2.356 2653 S HA -0.281 4.189 4.470 -0.001 0.000 0.223 2653 S C 1.847 176.407 174.600 -0.066 0.000 1.032 2653 S CA 1.380 59.611 58.200 0.051 0.000 1.005 2653 S CB -0.550 62.717 63.200 0.112 0.000 0.867 2653 S HN 0.487 nan 8.310 nan 0.000 0.449 2654 Q N 2.128 121.910 119.800 -0.030 0.000 2.112 2654 Q HA -0.144 4.196 4.340 -0.001 0.000 0.206 2654 Q C 2.216 178.163 176.000 -0.089 0.000 0.987 2654 Q CA 2.400 58.176 55.803 -0.044 0.000 0.858 2654 Q CB -0.821 27.906 28.738 -0.018 0.000 0.905 2654 Q HN 0.592 nan 8.270 nan 0.000 0.420 2655 S N -0.560 115.062 115.700 -0.129 0.000 2.374 2655 S HA -0.185 4.285 4.470 -0.001 0.000 0.227 2655 S C 1.991 176.478 174.600 -0.189 0.000 1.037 2655 S CA 1.498 59.604 58.200 -0.158 0.000 1.024 2655 S CB -0.688 62.392 63.200 -0.199 0.000 0.861 2655 S HN 0.497 nan 8.310 nan 0.000 0.456 2656 I N 1.227 121.645 120.570 -0.253 0.000 2.202 2656 I HA -0.110 4.059 4.170 -0.001 0.000 0.242 2656 I C 2.535 178.567 176.117 -0.142 0.000 1.091 2656 I CA 1.053 62.218 61.300 -0.224 0.000 1.368 2656 I CB -0.749 37.100 38.000 -0.252 0.000 1.058 2656 I HN 0.216 nan 8.210 nan 0.000 0.410 2657 V N 1.656 121.504 119.914 -0.110 0.000 2.277 2657 V HA -0.351 3.768 4.120 -0.001 0.000 0.253 2657 V C 2.241 178.293 176.094 -0.071 0.000 1.067 2657 V CA 2.181 64.437 62.300 -0.074 0.000 1.047 2657 V CB -0.978 30.813 31.823 -0.053 0.000 0.649 2657 V HN 0.469 nan 8.190 nan 0.000 0.447 2658 N N 0.173 118.827 118.700 -0.077 0.000 2.006 2658 N HA -0.143 4.597 4.740 -0.001 0.000 0.196 2658 N C 1.850 177.318 175.510 -0.071 0.000 1.057 2658 N CA 1.697 54.708 53.050 -0.066 0.000 0.853 2658 N CB -0.980 37.468 38.487 -0.064 0.000 1.051 2658 N HN 0.316 nan 8.380 nan 0.000 0.423 2659 V N 2.200 122.059 119.914 -0.093 0.000 2.313 2659 V HA -0.288 3.832 4.120 -0.001 0.000 0.253 2659 V C 2.219 178.265 176.094 -0.080 0.000 1.070 2659 V CA 1.768 64.011 62.300 -0.095 0.000 1.057 2659 V CB -0.556 31.191 31.823 -0.127 0.000 0.653 2659 V HN 0.381 nan 8.190 nan 0.000 0.450 2660 E N -0.388 119.762 120.200 -0.083 0.000 2.021 2660 E HA -0.294 4.056 4.350 -0.001 0.000 0.200 2660 E C 2.484 179.055 176.600 -0.048 0.000 1.015 2660 E CA 1.617 57.977 56.400 -0.067 0.000 0.824 2660 E CB -0.362 29.298 29.700 -0.067 0.000 0.762 2660 E HN 0.442 nan 8.360 nan 0.000 0.454 2661 R N 0.907 121.381 120.500 -0.043 0.000 2.113 2661 R HA -0.210 4.130 4.340 -0.001 0.000 0.244 2661 R C 2.508 178.795 176.300 -0.022 0.000 1.142 2661 R CA 2.195 58.277 56.100 -0.030 0.000 0.953 2661 R CB -0.390 29.894 30.300 -0.027 0.000 0.860 2661 R HN 0.233 nan 8.270 nan 0.000 0.438 2662 S N -0.540 115.146 115.700 -0.024 0.000 2.399 2662 S HA -0.076 4.394 4.470 -0.001 0.000 0.231 2662 S C 2.082 176.681 174.600 -0.001 0.000 1.022 2662 S CA 1.354 59.548 58.200 -0.009 0.000 0.983 2662 S CB -0.377 62.815 63.200 -0.013 0.000 0.803 2662 S HN 0.187 nan 8.310 nan 0.000 0.480 2663 V N 2.338 122.243 119.914 -0.016 0.000 2.379 2663 V HA -0.112 4.008 4.120 -0.001 0.000 0.245 2663 V C 2.693 178.782 176.094 -0.008 0.000 1.044 2663 V CA 2.017 64.313 62.300 -0.008 0.000 1.036 2663 V CB -0.797 31.009 31.823 -0.028 0.000 0.664 2663 V HN 0.566 nan 8.190 nan 0.000 0.453 2664 E N 0.585 120.774 120.200 -0.018 0.000 2.051 2664 E HA -0.054 4.295 4.350 -0.001 0.000 0.189 2664 E C 1.365 177.954 176.600 -0.018 0.000 0.979 2664 E CA 1.656 58.044 56.400 -0.020 0.000 0.803 2664 E CB 0.042 29.728 29.700 -0.024 0.000 0.761 2664 E HN 0.798 nan 8.360 nan 0.000 0.451 2665 I N -3.601 116.960 120.570 -0.014 0.000 4.050 2665 I HA 0.385 4.554 4.170 -0.001 0.000 0.328 2665 I C 0.584 176.698 176.117 -0.005 0.000 1.439 2665 I CA -0.549 60.743 61.300 -0.013 0.000 1.099 2665 I CB 1.023 39.015 38.000 -0.014 0.000 1.469 2665 I HN -0.054 nan 8.210 nan 0.000 0.572 2666 G N 0.867 109.669 108.800 0.003 0.000 3.075 2666 G HA2 0.211 4.171 3.960 -0.001 0.000 0.156 2666 G HA3 0.211 4.171 3.960 -0.001 0.000 0.156 2666 G C 0.345 175.266 174.900 0.035 0.000 1.403 2666 G CA -0.248 44.861 45.100 0.016 0.000 1.033 2666 G HN 0.154 nan 8.290 nan 0.000 0.589 2667 N N 0.009 118.748 118.700 0.065 0.000 2.461 2667 N HA 0.075 4.814 4.740 -0.001 0.000 0.188 2667 N C 1.481 177.097 175.510 0.176 0.000 1.134 2667 N CA 0.290 53.410 53.050 0.116 0.000 0.878 2667 N CB 0.392 38.973 38.487 0.157 0.000 0.972 2667 N HN 0.270 nan 8.380 nan 0.000 0.456 2668 L N -0.288 121.025 121.223 0.149 0.000 2.858 2668 L HA 0.170 4.510 4.340 -0.001 0.000 0.251 2668 L C 1.842 178.792 176.870 0.134 0.000 1.149 2668 L CA 0.019 55.034 54.840 0.291 0.000 0.955 2668 L CB 0.161 42.323 42.059 0.172 0.000 1.289 2668 L HN -0.015 nan 8.230 nan 0.000 0.542 2669 S N -1.394 114.323 115.700 0.027 0.000 2.402 2669 S HA -0.115 4.354 4.470 -0.001 0.000 0.229 2669 S C 0.796 175.333 174.600 -0.106 0.000 1.021 2669 S CA 0.617 58.800 58.200 -0.029 0.000 0.974 2669 S CB -0.197 62.987 63.200 -0.027 0.000 0.800 2669 S HN 0.360 nan 8.310 nan 0.000 0.484 2670 D N 0.961 121.253 120.400 -0.181 0.000 2.329 2670 D HA 0.449 5.089 4.640 -0.001 0.000 0.232 2670 D C 0.751 176.664 176.300 -0.644 0.000 1.088 2670 D CA -0.189 53.636 54.000 -0.292 0.000 0.835 2670 D CB 1.765 42.436 40.800 -0.214 0.000 1.078 2670 D HN 0.083 nan 8.370 nan 0.000 0.495 2671 S N 2.485 117.823 115.700 -0.604 0.000 2.371 2671 S HA -0.162 4.308 4.470 -0.001 0.000 0.224 2671 S C 1.962 176.115 174.600 -0.744 0.000 1.029 2671 S CA 1.657 59.328 58.200 -0.881 0.000 0.978 2671 S CB -0.187 62.788 63.200 -0.374 0.000 0.833 2671 S HN 0.578 nan 8.310 nan 0.000 0.466 2672 S N 1.517 116.982 115.700 -0.392 0.000 2.392 2672 S HA -0.200 4.270 4.470 -0.001 0.000 0.232 2672 S C 1.693 176.187 174.600 -0.177 0.000 1.041 2672 S CA 1.469 59.540 58.200 -0.215 0.000 1.026 2672 S CB -0.739 62.384 63.200 -0.129 0.000 0.845 2672 S HN 0.632 nan 8.310 nan 0.000 0.465 2673 K N 0.604 120.831 120.400 -0.288 0.000 2.280 2673 K HA 0.084 4.404 4.320 -0.001 0.000 0.202 2673 K C 0.404 177.063 176.600 0.098 0.000 1.047 2673 K CA 0.591 56.821 56.287 -0.094 0.000 0.942 2673 K CB -0.279 32.151 32.500 -0.117 0.000 0.739 2673 K HN 0.506 nan 8.250 nan 0.000 0.457 2674 F N 0.549 120.404 119.950 -0.158 0.000 2.403 2674 F HA 0.037 4.563 4.527 -0.001 0.000 0.320 2674 F C 1.334 177.169 175.800 0.058 0.000 1.176 2674 F CA -1.257 56.654 58.000 -0.149 0.000 1.206 2674 F CB 0.290 39.121 39.000 -0.283 0.000 1.235 2674 F HN 0.120 nan 8.300 nan 0.000 0.565 2675 H N 3.196 122.369 119.070 0.171 0.000 2.803 2675 H HA 0.085 4.641 4.556 -0.001 0.000 0.330 2675 H C -1.939 173.232 175.328 -0.261 0.000 1.057 2675 H CA -1.878 53.922 56.048 -0.414 0.000 1.458 2675 H CB 1.467 30.892 29.762 -0.560 0.000 1.470 2675 H HN 0.223 nan 8.280 nan 0.000 0.560 2676 P HA -0.200 nan 4.420 nan 0.000 0.219 2676 P C 1.303 178.633 177.300 0.049 0.000 1.153 2676 P CA 1.403 64.428 63.100 -0.125 0.000 0.865 2676 P CB 0.192 31.767 31.700 -0.209 0.000 0.788 2677 L N -2.260 119.114 121.223 0.252 0.000 2.628 2677 L HA 0.131 4.471 4.340 -0.001 0.000 0.229 2677 L C 0.669 177.584 176.870 0.075 0.000 1.137 2677 L CA -0.226 54.708 54.840 0.157 0.000 0.909 2677 L CB -0.306 41.836 42.059 0.137 0.000 1.137 2677 L HN -0.068 nan 8.230 nan 0.000 0.470 2678 D N 1.529 121.993 120.400 0.107 0.000 2.350 2678 D HA 0.098 4.737 4.640 -0.001 0.000 0.249 2678 D C -0.063 176.263 176.300 0.044 0.000 1.119 2678 D CA 0.271 54.302 54.000 0.052 0.000 0.886 2678 D CB 0.907 41.766 40.800 0.099 0.000 1.195 2678 D HN -0.035 nan 8.370 nan 0.000 0.437 2679 K N 3.303 123.710 120.400 0.011 0.000 2.877 2679 K HA 0.214 4.533 4.320 -0.001 0.000 0.176 2679 K C 0.390 176.972 176.600 -0.029 0.000 1.075 2679 K CA -0.337 55.955 56.287 0.009 0.000 0.939 2679 K CB 1.248 33.761 32.500 0.022 0.000 1.237 2679 K HN 0.164 nan 8.250 nan 0.000 0.607 2680 V N 0.613 120.474 119.914 -0.087 0.000 2.436 2680 V HA -0.096 4.024 4.120 -0.001 0.000 0.240 2680 V C 1.968 178.007 176.094 -0.092 0.000 1.040 2680 V CA 0.811 63.032 62.300 -0.132 0.000 1.052 2680 V CB -0.180 31.487 31.823 -0.260 0.000 0.707 2680 V HN 0.526 nan 8.190 nan 0.000 0.469 2681 L N 0.103 121.295 121.223 -0.052 0.000 2.012 2681 L HA -0.187 4.153 4.340 -0.001 0.000 0.210 2681 L C 2.426 179.288 176.870 -0.014 0.000 1.073 2681 L CA 1.946 56.782 54.840 -0.007 0.000 0.748 2681 L CB -0.541 41.562 42.059 0.072 0.000 0.891 2681 L HN 0.306 nan 8.230 nan 0.000 0.431 2682 I N -0.181 120.388 120.570 -0.001 0.000 2.800 2682 I HA -0.246 3.924 4.170 -0.001 0.000 0.266 2682 I C 1.671 177.777 176.117 -0.018 0.000 1.249 2682 I CA 1.266 62.564 61.300 -0.004 0.000 1.458 2682 I CB -0.062 37.943 38.000 0.009 0.000 1.093 2682 I HN 0.236 nan 8.210 nan 0.000 0.466 2683 K N -0.437 119.943 120.400 -0.034 0.000 2.402 2683 K HA 0.245 4.565 4.320 -0.001 0.000 0.204 2683 K C 1.038 177.594 176.600 -0.073 0.000 1.056 2683 K CA 0.321 56.580 56.287 -0.047 0.000 1.069 2683 K CB 0.979 33.449 32.500 -0.050 0.000 0.888 2683 K HN 0.266 nan 8.250 nan 0.000 0.546 2684 T N 0.611 115.118 114.554 -0.077 0.000 3.138 2684 T HA 0.053 4.403 4.350 -0.001 0.000 0.245 2684 T C 1.566 176.210 174.700 -0.094 0.000 0.982 2684 T CA -0.231 61.807 62.100 -0.103 0.000 1.134 2684 T CB 0.083 68.886 68.868 -0.108 0.000 1.032 2684 T HN -0.135 nan 8.240 nan 0.000 0.442 2685 L N 1.929 123.113 121.223 -0.065 0.000 2.064 2685 L HA -0.089 4.250 4.340 -0.001 0.000 0.216 2685 L C -0.631 176.203 176.870 -0.059 0.000 1.077 2685 L CA 2.147 56.955 54.840 -0.054 0.000 0.766 2685 L CB -2.203 39.836 42.059 -0.033 0.000 0.890 2685 L HN 0.258 nan 8.230 nan 0.000 0.435 2686 P HA -0.032 nan 4.420 nan 0.000 0.218 2686 P C 2.012 179.272 177.300 -0.066 0.000 1.152 2686 P CA 0.684 63.756 63.100 -0.048 0.000 0.826 2686 P CB 0.184 31.864 31.700 -0.034 0.000 0.790 2687 V N -0.373 119.479 119.914 -0.104 0.000 2.302 2687 V HA -0.176 3.944 4.120 -0.001 0.000 0.243 2687 V C 2.439 178.401 176.094 -0.220 0.000 1.036 2687 V CA 1.180 63.379 62.300 -0.169 0.000 1.020 2687 V CB -1.405 30.270 31.823 -0.248 0.000 0.657 2687 V HN 0.015 nan 8.190 nan 0.000 0.453 2688 L N 0.031 121.130 121.223 -0.206 0.000 2.058 2688 L HA -0.274 4.066 4.340 -0.001 0.000 0.226 2688 L C 0.171 176.954 176.870 -0.144 0.000 1.089 2688 L CA 2.476 57.201 54.840 -0.192 0.000 0.799 2688 L CB -2.072 39.905 42.059 -0.137 0.000 0.900 2688 L HN 0.357 nan 8.230 nan 0.000 0.442 2689 P HA -0.166 nan 4.420 nan 0.000 0.215 2689 P C 1.435 178.708 177.300 -0.045 0.000 1.157 2689 P CA 1.172 64.236 63.100 -0.060 0.000 0.868 2689 P CB -0.017 31.659 31.700 -0.041 0.000 0.788 2690 E N -0.476 119.701 120.200 -0.039 0.000 2.114 2690 E HA -0.224 4.125 4.350 -0.001 0.000 0.199 2690 E C 1.912 178.559 176.600 0.078 0.000 1.008 2690 E CA 1.683 58.105 56.400 0.037 0.000 0.810 2690 E CB -0.820 28.933 29.700 0.088 0.000 0.739 2690 E HN 0.128 nan 8.360 nan 0.000 0.456 2691 A N 1.955 124.732 122.820 -0.071 0.000 1.824 2691 A HA -0.238 4.081 4.320 -0.001 0.000 0.215 2691 A C 2.173 179.775 177.584 0.030 0.000 1.209 2691 A CA 2.412 54.437 52.037 -0.021 0.000 0.614 2691 A CB -0.851 17.955 19.000 -0.324 0.000 0.852 2691 A HN 0.361 nan 8.150 nan 0.000 0.447 2692 R N 0.080 120.552 120.500 -0.047 0.000 2.178 2692 R HA -0.281 4.059 4.340 -0.001 0.000 0.257 2692 R C 2.065 178.363 176.300 -0.003 0.000 1.163 2692 R CA 2.167 58.250 56.100 -0.028 0.000 0.981 2692 R CB -0.682 29.591 30.300 -0.045 0.000 0.878 2692 R HN 0.566 nan 8.270 nan 0.000 0.454 2693 K N 0.888 121.284 120.400 -0.006 0.000 1.991 2693 K HA -0.169 4.151 4.320 -0.001 0.000 0.212 2693 K C 1.858 178.427 176.600 -0.052 0.000 1.049 2693 K CA 1.780 58.058 56.287 -0.016 0.000 0.932 2693 K CB 0.003 32.500 32.500 -0.005 0.000 0.717 2693 K HN 0.134 nan 8.250 nan 0.000 0.441 2694 K N 0.003 120.354 120.400 -0.083 0.000 2.063 2694 K HA -0.117 4.203 4.320 -0.001 0.000 0.208 2694 K C 2.246 178.737 176.600 -0.182 0.000 1.048 2694 K CA 1.420 57.499 56.287 -0.346 0.000 0.928 2694 K CB -0.833 31.421 32.500 -0.410 0.000 0.713 2694 K HN 0.450 nan 8.250 nan 0.000 0.442 2695 G N 2.435 111.299 108.800 0.107 0.000 2.529 2695 G HA2 -0.307 3.652 3.960 -0.001 0.000 0.219 2695 G HA3 -0.307 3.652 3.960 -0.001 0.000 0.219 2695 G C 1.252 176.202 174.900 0.085 0.000 1.177 2695 G CA 1.320 46.550 45.100 0.217 0.000 0.773 2695 G HN 0.273 nan 8.290 nan 0.000 0.573 2696 D N 0.411 120.827 120.400 0.026 0.000 2.077 2696 D HA -0.059 4.580 4.640 -0.001 0.000 0.196 2696 D C 2.761 179.065 176.300 0.006 0.000 0.986 2696 D CA 0.600 54.609 54.000 0.016 0.000 0.829 2696 D CB -0.487 40.315 40.800 0.004 0.000 0.983 2696 D HN 0.259 nan 8.370 nan 0.000 0.453 2697 L N 0.905 122.113 121.223 -0.025 0.000 2.030 2697 L HA -0.246 4.094 4.340 -0.001 0.000 0.222 2697 L C 2.679 179.577 176.870 0.047 0.000 1.082 2697 L CA 1.117 55.954 54.840 -0.004 0.000 0.785 2697 L CB -0.443 41.587 42.059 -0.049 0.000 0.895 2697 L HN 0.114 nan 8.230 nan 0.000 0.439 2698 L N -0.451 120.794 121.223 0.036 0.000 2.017 2698 L HA -0.270 4.069 4.340 -0.001 0.000 0.208 2698 L C 2.594 179.503 176.870 0.065 0.000 1.073 2698 L CA 1.677 56.587 54.840 0.116 0.000 0.745 2698 L CB -0.320 41.778 42.059 0.064 0.000 0.894 2698 L HN 0.376 nan 8.230 nan 0.000 0.432 2699 E N -0.127 120.107 120.200 0.056 0.000 2.169 2699 E HA -0.296 4.053 4.350 -0.001 0.000 0.202 2699 E C 1.567 178.186 176.600 0.032 0.000 1.016 2699 E CA 2.012 58.440 56.400 0.047 0.000 0.817 2699 E CB 0.027 29.754 29.700 0.045 0.000 0.736 2699 E HN 0.630 nan 8.360 nan 0.000 0.462 2700 D N 0.046 120.465 120.400 0.032 0.000 2.085 2700 D HA -0.139 4.501 4.640 -0.001 0.000 0.199 2700 D C 1.819 178.134 176.300 0.025 0.000 0.981 2700 D CA 0.590 54.605 54.000 0.025 0.000 0.834 2700 D CB -0.302 40.513 40.800 0.025 0.000 0.992 2700 D HN 0.141 nan 8.370 nan 0.000 0.457 2701 E N 0.930 121.151 120.200 0.034 0.000 2.197 2701 E HA -0.174 4.175 4.350 -0.001 0.000 0.205 2701 E C 2.372 178.980 176.600 0.014 0.000 1.029 2701 E CA 0.554 56.971 56.400 0.028 0.000 0.828 2701 E CB -0.402 29.321 29.700 0.038 0.000 0.737 2701 E HN 0.197 nan 8.360 nan 0.000 0.464 2702 V N 1.034 120.955 119.914 0.012 0.000 2.221 2702 V HA -0.237 3.882 4.120 -0.001 0.000 0.240 2702 V C 2.201 178.292 176.094 -0.005 0.000 1.041 2702 V CA 1.960 64.257 62.300 -0.004 0.000 0.991 2702 V CB -0.543 31.278 31.823 -0.002 0.000 0.634 2702 V HN 0.193 nan 8.190 nan 0.000 0.450 2703 K N -0.177 120.224 120.400 0.001 0.000 2.304 2703 K HA -0.226 4.094 4.320 -0.001 0.000 0.204 2703 K C 1.886 178.489 176.600 0.005 0.000 1.044 2703 K CA 1.534 57.821 56.287 0.001 0.000 0.932 2703 K CB -0.332 32.170 32.500 0.004 0.000 0.735 2703 K HN 0.400 nan 8.250 nan 0.000 0.468 2704 L N -0.084 121.145 121.223 0.011 0.000 2.121 2704 L HA -0.131 4.209 4.340 -0.001 0.000 0.200 2704 L C 2.044 178.929 176.870 0.025 0.000 1.132 2704 L CA 1.250 56.100 54.840 0.017 0.000 0.782 2704 L CB -0.601 41.469 42.059 0.019 0.000 0.940 2704 L HN 0.034 nan 8.230 nan 0.000 0.458 2705 T N 0.933 115.502 114.554 0.025 0.000 2.635 2705 T HA -0.337 4.012 4.350 -0.001 0.000 0.265 2705 T C 1.768 176.495 174.700 0.046 0.000 1.058 2705 T CA 2.625 64.747 62.100 0.037 0.000 1.162 2705 T CB -0.569 68.307 68.868 0.013 0.000 0.859 2705 T HN 0.314 nan 8.240 nan 0.000 0.449 2706 I N 1.247 121.820 120.570 0.005 0.000 2.091 2706 I HA -0.322 3.848 4.170 -0.001 0.000 0.239 2706 I C 2.648 178.808 176.117 0.071 0.000 1.061 2706 I CA 2.266 63.567 61.300 0.002 0.000 1.317 2706 I CB -0.618 37.362 38.000 -0.033 0.000 1.031 2706 I HN 0.454 nan 8.210 nan 0.000 0.401 2707 M N 0.744 120.368 119.600 0.041 0.000 2.088 2707 M HA -0.269 4.211 4.480 -0.001 0.000 0.256 2707 M C 1.970 178.303 176.300 0.055 0.000 1.071 2707 M CA 2.090 57.411 55.300 0.035 0.000 1.097 2707 M CB -0.964 31.646 32.600 0.016 0.000 1.315 2707 M HN 0.104 nan 8.290 nan 0.000 0.406 2708 E N 0.291 120.533 120.200 0.071 0.000 2.065 2708 E HA -0.234 4.115 4.350 -0.001 0.000 0.201 2708 E C 1.871 178.533 176.600 0.104 0.000 1.016 2708 E CA 2.050 58.498 56.400 0.080 0.000 0.818 2708 E CB -0.607 29.151 29.700 0.097 0.000 0.749 2708 E HN 0.637 nan 8.360 nan 0.000 0.453 2709 F N 2.198 122.132 119.950 -0.027 0.000 2.065 2709 F HA -0.231 4.295 4.527 -0.001 0.000 0.298 2709 F C 2.113 177.822 175.800 -0.151 0.000 1.112 2709 F CA 1.875 59.828 58.000 -0.079 0.000 1.212 2709 F CB -0.061 38.852 39.000 -0.145 0.000 0.975 2709 F HN -0.053 nan 8.300 nan 0.000 0.476 2710 E N -0.725 119.524 120.200 0.081 0.000 2.209 2710 E HA -0.229 4.120 4.350 -0.001 0.000 0.196 2710 E C 2.333 178.862 176.600 -0.119 0.000 0.993 2710 E CA 1.195 57.563 56.400 -0.053 0.000 0.819 2710 E CB -0.386 29.322 29.700 0.013 0.000 0.745 2710 E HN 0.426 nan 8.360 nan 0.000 0.477 2711 S N 1.008 116.668 115.700 -0.066 0.000 2.335 2711 S HA -0.132 4.337 4.470 -0.001 0.000 0.217 2711 S C 1.987 176.559 174.600 -0.047 0.000 1.032 2711 S CA 0.684 58.864 58.200 -0.033 0.000 0.985 2711 S CB -0.224 62.971 63.200 -0.007 0.000 0.896 2711 S HN 0.204 nan 8.310 nan 0.000 0.445 2712 L N 2.143 123.323 121.223 -0.072 0.000 2.051 2712 L HA -0.141 4.198 4.340 -0.001 0.000 0.214 2712 L C 2.271 179.127 176.870 -0.023 0.000 1.076 2712 L CA 2.184 57.020 54.840 -0.007 0.000 0.758 2712 L CB -1.083 41.007 42.059 0.051 0.000 0.890 2712 L HN 0.465 nan 8.230 nan 0.000 0.433 2713 M N -1.777 117.585 119.600 -0.397 0.000 2.065 2713 M HA -0.273 4.206 4.480 -0.001 0.000 0.259 2713 M C 2.386 178.657 176.300 -0.048 0.000 1.069 2713 M CA 2.202 57.205 55.300 -0.496 0.000 1.110 2713 M CB -1.101 31.065 32.600 -0.724 0.000 1.328 2713 M HN 0.454 nan 8.290 nan 0.000 0.405 2714 H N 0.162 119.144 119.070 -0.148 0.000 2.319 2714 H HA -0.164 4.392 4.556 -0.001 0.000 0.297 2714 H C 1.823 177.101 175.328 -0.084 0.000 1.097 2714 H CA 2.042 58.036 56.048 -0.090 0.000 1.285 2714 H CB 0.120 29.828 29.762 -0.089 0.000 1.368 2714 H HN 0.359 nan 8.280 nan 0.000 0.495 2715 T N 0.074 114.555 114.554 -0.121 0.000 2.653 2715 T HA -0.245 4.105 4.350 -0.001 0.000 0.268 2715 T C 1.284 175.743 174.700 -0.401 0.000 1.035 2715 T CA 1.673 63.590 62.100 -0.306 0.000 1.154 2715 T CB -0.620 68.045 68.868 -0.337 0.000 0.862 2715 T HN 0.448 nan 8.240 nan 0.000 0.441 2716 Y N 1.022 121.302 120.300 -0.033 0.000 2.465 2716 Y HA 0.342 4.892 4.550 -0.001 0.000 0.311 2716 Y C 1.900 177.773 175.900 -0.045 0.000 1.204 2716 Y CA -0.104 57.983 58.100 -0.020 0.000 1.272 2716 Y CB -0.488 38.062 38.460 0.149 0.000 1.083 2716 Y HN 0.391 nan 8.280 nan 0.000 0.508 2717 G N -0.593 108.191 108.800 -0.027 0.000 2.220 2717 G HA2 -0.306 3.653 3.960 -0.001 0.000 0.269 2717 G HA3 -0.306 3.653 3.960 -0.001 0.000 0.269 2717 G C 0.342 175.273 174.900 0.051 0.000 0.977 2717 G CA 0.190 45.269 45.100 -0.035 0.000 0.634 2717 G HN 0.314 nan 8.290 nan 0.000 0.539 2718 E N 1.337 121.609 120.200 0.120 0.000 2.398 2718 E HA 0.157 4.507 4.350 -0.001 0.000 0.263 2718 E C 0.705 177.350 176.600 0.075 0.000 1.046 2718 E CA -0.248 56.228 56.400 0.125 0.000 0.908 2718 E CB 0.588 30.425 29.700 0.229 0.000 0.963 2718 E HN 0.478 nan 8.360 nan 0.000 0.431 2719 D N 0.399 120.844 120.400 0.075 0.000 2.312 2719 D HA -0.053 4.587 4.640 -0.001 0.000 0.244 2719 D C 0.501 176.802 176.300 0.002 0.000 1.328 2719 D CA 0.518 54.551 54.000 0.056 0.000 0.965 2719 D CB 0.858 41.699 40.800 0.068 0.000 1.140 2719 D HN 0.348 nan 8.370 nan 0.000 0.523 2720 S N -1.878 113.818 115.700 -0.006 0.000 2.456 2720 S HA 0.171 4.640 4.470 -0.001 0.000 0.282 2720 S C 1.242 175.835 174.600 -0.011 0.000 1.057 2720 S CA 0.633 58.810 58.200 -0.040 0.000 1.321 2720 S CB 0.021 63.177 63.200 -0.073 0.000 1.117 2720 S HN 0.539 nan 8.310 nan 0.000 0.584 2721 G N 1.152 109.950 108.800 -0.002 0.000 2.459 2721 G HA2 0.067 4.027 3.960 -0.001 0.000 0.213 2721 G HA3 0.067 4.027 3.960 -0.001 0.000 0.213 2721 G C 0.414 175.328 174.900 0.024 0.000 1.155 2721 G CA 0.288 45.390 45.100 0.003 0.000 0.811 2721 G HN 0.531 nan 8.290 nan 0.000 0.534 2722 D N 0.484 120.910 120.400 0.043 0.000 2.455 2722 D HA 0.009 4.649 4.640 -0.001 0.000 0.241 2722 D C 1.229 177.585 176.300 0.092 0.000 1.138 2722 D CA 0.022 54.068 54.000 0.076 0.000 0.877 2722 D CB 1.166 42.032 40.800 0.110 0.000 1.187 2722 D HN 0.183 nan 8.370 nan 0.000 0.451 2723 K N 3.719 124.179 120.400 0.100 0.000 2.007 2723 K HA -0.177 4.143 4.320 -0.001 0.000 0.206 2723 K C 1.988 178.665 176.600 0.129 0.000 1.047 2723 K CA 0.487 56.828 56.287 0.090 0.000 0.937 2723 K CB -0.329 32.218 32.500 0.078 0.000 0.718 2723 K HN 0.488 nan 8.250 nan 0.000 0.438 2724 F N 1.769 121.735 119.950 0.027 0.000 2.054 2724 F HA -0.411 4.115 4.527 -0.001 0.000 0.294 2724 F C 2.072 177.905 175.800 0.055 0.000 1.126 2724 F CA 2.446 60.467 58.000 0.035 0.000 1.226 2724 F CB -1.081 37.937 39.000 0.029 0.000 0.947 2724 F HN 0.194 nan 8.300 nan 0.000 0.509 2725 A N 0.103 122.972 122.820 0.083 0.000 1.869 2725 A HA -0.332 3.987 4.320 -0.001 0.000 0.218 2725 A C 2.255 179.833 177.584 -0.009 0.000 1.203 2725 A CA 2.533 54.560 52.037 -0.018 0.000 0.638 2725 A CB -1.133 17.939 19.000 0.120 0.000 0.831 2725 A HN 0.587 nan 8.150 nan 0.000 0.450 2726 K N -1.002 119.426 120.400 0.047 0.000 2.107 2726 K HA -0.214 4.105 4.320 -0.001 0.000 0.211 2726 K C 1.850 178.504 176.600 0.090 0.000 1.049 2726 K CA 1.712 58.071 56.287 0.120 0.000 0.927 2726 K CB -0.414 32.125 32.500 0.065 0.000 0.714 2726 K HN 0.466 nan 8.250 nan 0.000 0.452 2727 I N 0.867 121.425 120.570 -0.020 0.000 2.130 2727 I HA -0.216 3.954 4.170 -0.001 0.000 0.234 2727 I C 2.546 178.652 176.117 -0.018 0.000 1.067 2727 I CA 1.578 62.853 61.300 -0.041 0.000 1.339 2727 I CB -1.541 36.414 38.000 -0.076 0.000 1.073 2727 I HN 0.171 nan 8.210 nan 0.000 0.405 2728 S N 1.026 116.631 115.700 -0.159 0.000 2.419 2728 S HA -0.233 4.237 4.470 -0.001 0.000 0.235 2728 S C 1.990 176.573 174.600 -0.029 0.000 1.019 2728 S CA 0.747 58.850 58.200 -0.161 0.000 0.982 2728 S CB -1.302 61.638 63.200 -0.435 0.000 0.789 2728 S HN 0.339 nan 8.310 nan 0.000 0.490 2729 F N 2.215 122.096 119.950 -0.115 0.000 2.034 2729 F HA -0.219 4.308 4.527 -0.001 0.000 0.298 2729 F C 2.017 177.859 175.800 0.069 0.000 1.193 2729 F CA 1.753 59.697 58.000 -0.094 0.000 1.208 2729 F CB -1.062 37.894 39.000 -0.074 0.000 0.945 2729 F HN 0.200 nan 8.300 nan 0.000 0.521 2730 F N 0.450 120.531 119.950 0.220 0.000 2.082 2730 F HA -0.434 4.092 4.527 -0.001 0.000 0.298 2730 F C 2.679 178.482 175.800 0.006 0.000 1.091 2730 F CA 1.649 59.737 58.000 0.146 0.000 1.230 2730 F CB -0.606 38.562 39.000 0.281 0.000 0.983 2730 F HN 0.142 nan 8.300 nan 0.000 0.485 2731 K N 1.267 121.784 120.400 0.194 0.000 1.988 2731 K HA -0.276 4.043 4.320 -0.001 0.000 0.221 2731 K C 1.851 178.444 176.600 -0.011 0.000 1.053 2731 K CA 2.219 58.552 56.287 0.077 0.000 0.959 2731 K CB -0.333 32.190 32.500 0.038 0.000 0.728 2731 K HN 0.165 nan 8.250 nan 0.000 0.447 2732 K N -0.339 119.976 120.400 -0.142 0.000 2.148 2732 K HA -0.235 4.085 4.320 -0.001 0.000 0.213 2732 K C 2.175 178.669 176.600 -0.178 0.000 1.050 2732 K CA 2.379 58.525 56.287 -0.235 0.000 0.932 2732 K CB -0.471 31.757 32.500 -0.454 0.000 0.717 2732 K HN 0.271 nan 8.250 nan 0.000 0.462 2733 F N 0.662 120.521 119.950 -0.152 0.000 2.098 2733 F HA -0.132 4.394 4.527 -0.001 0.000 0.294 2733 F C 2.836 178.657 175.800 0.036 0.000 1.107 2733 F CA 0.499 58.433 58.000 -0.109 0.000 1.234 2733 F CB -0.349 38.484 39.000 -0.278 0.000 1.002 2733 F HN 0.049 nan 8.300 nan 0.000 0.472 2734 A N 0.254 123.190 122.820 0.194 0.000 1.892 2734 A HA -0.271 4.048 4.320 -0.001 0.000 0.218 2734 A C 1.743 179.415 177.584 0.146 0.000 1.188 2734 A CA 2.384 54.501 52.037 0.133 0.000 0.631 2734 A CB -1.028 18.023 19.000 0.084 0.000 0.822 2734 A HN 0.310 nan 8.150 nan 0.000 0.447 2735 D N -1.152 119.329 120.400 0.135 0.000 2.137 2735 D HA -0.191 4.448 4.640 -0.001 0.000 0.193 2735 D C 1.604 178.015 176.300 0.185 0.000 0.993 2735 D CA 1.743 55.822 54.000 0.132 0.000 0.846 2735 D CB -0.640 40.225 40.800 0.108 0.000 0.990 2735 D HN 0.393 nan 8.370 nan 0.000 0.448 2736 F N 1.157 121.156 119.950 0.082 0.000 2.106 2736 F HA -0.277 4.250 4.527 -0.000 0.000 0.299 2736 F C 2.131 178.041 175.800 0.183 0.000 1.082 2736 F CA 1.450 59.519 58.000 0.116 0.000 1.244 2736 F CB -0.390 38.671 39.000 0.102 0.000 0.997 2736 F HN 0.020 nan 8.300 nan 0.000 0.486 2737 I N 0.208 120.871 120.570 0.155 0.000 2.226 2737 I HA -0.351 3.818 4.170 -0.001 0.000 0.245 2737 I C 1.987 178.136 176.117 0.053 0.000 1.100 2737 I CA 1.505 62.867 61.300 0.103 0.000 1.374 2737 I CB -0.650 37.472 38.000 0.204 0.000 1.057 2737 I HN 0.221 nan 8.210 nan 0.000 0.413 2738 N N 0.446 119.183 118.700 0.062 0.000 2.270 2738 N HA -0.129 4.611 4.740 -0.001 0.000 0.181 2738 N C 1.717 177.244 175.510 0.030 0.000 1.016 2738 N CA 0.849 53.927 53.050 0.046 0.000 0.870 2738 N CB -0.190 38.328 38.487 0.051 0.000 0.979 2738 N HN 0.345 nan 8.380 nan 0.000 0.431 2739 E N 0.146 120.359 120.200 0.021 0.000 2.110 2739 E HA -0.172 4.178 4.350 -0.001 0.000 0.193 2739 E C 1.521 178.121 176.600 0.001 0.000 0.988 2739 E CA 0.751 57.164 56.400 0.021 0.000 0.804 2739 E CB -0.220 29.508 29.700 0.047 0.000 0.745 2739 E HN 0.414 nan 8.360 nan 0.000 0.458 2740 Y N 1.639 121.789 120.300 -0.250 0.000 2.144 2740 Y HA -0.162 4.388 4.550 -0.001 0.000 0.272 2740 Y C 2.389 178.218 175.900 -0.119 0.000 1.092 2740 Y CA 1.614 59.582 58.100 -0.220 0.000 1.080 2740 Y CB -0.367 37.920 38.460 -0.288 0.000 1.003 2740 Y HN -0.157 nan 8.280 nan 0.000 0.477 2741 K N 0.283 120.724 120.400 0.068 0.000 2.067 2741 K HA -0.414 3.905 4.320 -0.001 0.000 0.226 2741 K C 2.197 178.753 176.600 -0.074 0.000 1.046 2741 K CA 2.636 58.908 56.287 -0.025 0.000 0.967 2741 K CB -0.475 32.028 32.500 0.005 0.000 0.749 2741 K HN 0.283 nan 8.250 nan 0.000 0.456 2742 K N 0.343 120.718 120.400 -0.042 0.000 1.987 2742 K HA -0.209 4.111 4.320 -0.001 0.000 0.216 2742 K C 2.152 178.708 176.600 -0.073 0.000 1.051 2742 K CA 1.759 58.021 56.287 -0.042 0.000 0.942 2742 K CB -0.330 32.161 32.500 -0.013 0.000 0.722 2742 K HN 0.238 nan 8.250 nan 0.000 0.444 2743 A N 1.296 124.068 122.820 -0.079 0.000 2.054 2743 A HA -0.296 4.023 4.320 -0.001 0.000 0.223 2743 A C 2.128 179.607 177.584 -0.175 0.000 1.169 2743 A CA 2.151 54.127 52.037 -0.102 0.000 0.655 2743 A CB -0.728 18.223 19.000 -0.082 0.000 0.812 2743 A HN 0.726 nan 8.150 nan 0.000 0.462 2744 Q N -0.858 118.793 119.800 -0.249 0.000 2.062 2744 Q HA 0.024 4.364 4.340 -0.001 0.000 0.196 2744 Q C 2.144 178.048 176.000 -0.160 0.000 0.967 2744 Q CA 1.161 56.804 55.803 -0.267 0.000 0.832 2744 Q CB -0.340 28.198 28.738 -0.334 0.000 0.899 2744 Q HN 0.564 nan 8.270 nan 0.000 0.442 2745 A N 0.781 123.527 122.820 -0.122 0.000 2.131 2745 A HA -0.212 4.107 4.320 -0.001 0.000 0.220 2745 A C 1.806 179.344 177.584 -0.078 0.000 1.158 2745 A CA 1.490 53.476 52.037 -0.086 0.000 0.665 2745 A CB -0.357 18.604 19.000 -0.065 0.000 0.795 2745 A HN 0.575 nan 8.150 nan 0.000 0.460 2746 Q N -0.647 119.102 119.800 -0.085 0.000 2.302 2746 Q HA -0.023 4.316 4.340 -0.001 0.000 0.202 2746 Q C 1.155 177.102 176.000 -0.087 0.000 0.936 2746 Q CA 0.817 56.575 55.803 -0.074 0.000 0.886 2746 Q CB -0.071 28.629 28.738 -0.064 0.000 0.986 2746 Q HN 0.673 nan 8.270 nan 0.000 0.487 2747 N N 0.657 119.292 118.700 -0.108 0.000 2.416 2747 N HA -0.013 4.727 4.740 -0.001 0.000 0.177 2747 N C 1.458 176.911 175.510 -0.096 0.000 1.036 2747 N CA 0.664 53.645 53.050 -0.117 0.000 0.901 2747 N CB 0.262 38.665 38.487 -0.140 0.000 0.976 2747 N HN 0.241 nan 8.380 nan 0.000 0.444 2748 L N 0.393 121.564 121.223 -0.088 0.000 2.599 2748 L HA 0.138 4.478 4.340 -0.001 0.000 0.230 2748 L C 1.898 178.731 176.870 -0.061 0.000 1.141 2748 L CA -0.016 54.781 54.840 -0.071 0.000 0.877 2748 L CB -0.088 41.931 42.059 -0.068 0.000 1.009 2748 L HN 0.107 nan 8.230 nan 0.000 0.447 2749 A N -0.151 122.632 122.820 -0.063 0.000 1.909 2749 A HA 0.183 4.502 4.320 -0.001 0.000 0.210 2749 A C 2.417 179.969 177.584 -0.054 0.000 1.273 2749 A CA 0.772 52.776 52.037 -0.054 0.000 0.654 2749 A CB -0.523 18.445 19.000 -0.053 0.000 0.945 2749 A HN 0.236 nan 8.150 nan 0.000 0.471 2750 A N 0.217 123.000 122.820 -0.062 0.000 2.084 2750 A HA -0.208 4.112 4.320 -0.001 0.000 0.221 2750 A C 1.782 179.334 177.584 -0.052 0.000 1.161 2750 A CA 1.895 53.895 52.037 -0.061 0.000 0.653 2750 A CB -0.532 18.419 19.000 -0.081 0.000 0.802 2750 A HN 0.678 nan 8.150 nan 0.000 0.457 2751 E N -0.893 119.275 120.200 -0.054 0.000 2.051 2751 E HA -0.109 4.241 4.350 -0.001 0.000 0.189 2751 E C 1.486 178.067 176.600 -0.032 0.000 0.979 2751 E CA 0.964 57.337 56.400 -0.045 0.000 0.803 2751 E CB -0.037 29.633 29.700 -0.051 0.000 0.761 2751 E HN 0.739 nan 8.360 nan 0.000 0.451 2752 E N 0.322 120.501 120.200 -0.035 0.000 2.311 2752 E HA -0.019 4.331 4.350 -0.001 0.000 0.198 2752 E C 0.509 177.092 176.600 -0.028 0.000 1.115 2752 E CA 0.006 56.387 56.400 -0.030 0.000 1.140 2752 E CB 0.242 29.920 29.700 -0.036 0.000 1.204 2752 E HN 0.205 nan 8.360 nan 0.000 0.446 2753 E N -0.347 119.843 120.200 -0.017 0.000 2.713 2753 E HA 0.054 4.403 4.350 -0.001 0.000 0.201 2753 E C 0.495 177.118 176.600 0.038 0.000 0.935 2753 E CA -0.148 56.246 56.400 -0.010 0.000 1.273 2753 E CB 0.409 30.091 29.700 -0.031 0.000 1.221 2753 E HN 0.056 nan 8.360 nan 0.000 0.547 2754 E N 1.506 121.729 120.200 0.039 0.000 2.303 2754 E HA 0.041 4.391 4.350 -0.001 0.000 0.211 2754 E C 0.859 177.501 176.600 0.071 0.000 1.223 2754 E CA 0.153 56.610 56.400 0.096 0.000 1.344 2754 E CB 0.492 30.226 29.700 0.057 0.000 1.299 2754 E HN 0.119 nan 8.360 nan 0.000 0.441 2755 R N -0.297 120.236 120.500 0.055 0.000 2.428 2755 R HA 0.172 4.512 4.340 -0.001 0.000 0.193 2755 R C 1.128 177.452 176.300 0.039 0.000 0.852 2755 R CA 0.004 56.121 56.100 0.027 0.000 1.055 2755 R CB 0.415 30.717 30.300 0.004 0.000 1.343 2755 R HN 0.073 nan 8.270 nan 0.000 0.655 2756 L N 1.506 122.755 121.223 0.045 0.000 2.728 2756 L HA 0.211 4.551 4.340 -0.001 0.000 0.235 2756 L C 0.631 177.585 176.870 0.140 0.000 1.197 2756 L CA 0.036 54.903 54.840 0.045 0.000 0.992 2756 L CB 0.277 42.276 42.059 -0.099 0.000 1.263 2756 L HN 0.309 nan 8.230 nan 0.000 0.484 2757 Y N -0.132 120.183 120.300 0.025 0.000 2.585 2757 Y HA 0.312 4.861 4.550 -0.001 0.000 0.272 2757 Y C 1.665 177.585 175.900 0.032 0.000 1.119 2757 Y CA 0.063 58.182 58.100 0.032 0.000 1.255 2757 Y CB 0.459 38.922 38.460 0.005 0.000 1.284 2757 Y HN 0.013 nan 8.280 nan 0.000 0.499 2758 I N 0.785 121.257 120.570 -0.164 0.000 3.956 2758 I HA 0.105 4.274 4.170 -0.001 0.000 0.333 2758 I C 1.768 177.811 176.117 -0.123 0.000 1.302 2758 I CA 0.394 61.548 61.300 -0.242 0.000 1.122 2758 I CB 0.255 38.192 38.000 -0.104 0.000 1.013 2758 I HN 0.082 nan 8.210 nan 0.000 0.405 2759 K N 0.064 120.434 120.400 -0.050 0.000 2.567 2759 K HA -0.005 4.315 4.320 -0.001 0.000 0.199 2759 K C 1.817 178.433 176.600 0.026 0.000 1.412 2759 K CA 0.330 56.609 56.287 -0.013 0.000 1.020 2759 K CB 0.114 32.622 32.500 0.013 0.000 1.487 2759 K HN 0.068 nan 8.250 nan 0.000 0.531 2760 H N 2.101 121.145 119.070 -0.043 0.000 2.456 2760 H HA -0.010 4.545 4.556 -0.001 0.000 0.296 2760 H C 1.928 177.232 175.328 -0.039 0.000 1.079 2760 H CA 2.007 58.040 56.048 -0.024 0.000 1.322 2760 H CB 0.380 30.145 29.762 0.006 0.000 1.388 2760 H HN 0.148 nan 8.280 nan 0.000 0.538 2761 K N 0.414 120.801 120.400 -0.022 0.000 2.167 2761 K HA -0.078 4.242 4.320 -0.001 0.000 0.203 2761 K C 1.760 178.299 176.600 -0.101 0.000 1.052 2761 K CA 0.813 57.048 56.287 -0.088 0.000 0.956 2761 K CB 0.167 32.565 32.500 -0.171 0.000 0.735 2761 K HN 0.200 nan 8.250 nan 0.000 0.451 2762 K N 1.069 121.412 120.400 -0.096 0.000 2.057 2762 K HA -0.064 4.256 4.320 -0.001 0.000 0.206 2762 K C 1.795 178.349 176.600 -0.077 0.000 1.050 2762 K CA 1.513 57.752 56.287 -0.081 0.000 0.935 2762 K CB -0.249 32.210 32.500 -0.068 0.000 0.715 2762 K HN 0.350 nan 8.250 nan 0.000 0.439 2763 I N -1.146 119.369 120.570 -0.091 0.000 3.492 2763 I HA -0.028 4.142 4.170 -0.001 0.000 0.305 2763 I C 0.789 176.844 176.117 -0.104 0.000 1.256 2763 I CA 0.554 61.797 61.300 -0.095 0.000 1.244 2763 I CB -0.042 37.889 38.000 -0.114 0.000 1.001 2763 I HN -0.169 nan 8.210 nan 0.000 0.536 2764 V N 0.345 120.203 119.914 -0.094 0.000 3.823 2764 V HA 0.339 4.458 4.120 -0.001 0.000 0.594 2764 V C -0.732 175.326 176.094 -0.061 0.000 1.832 2764 V CA -0.192 62.061 62.300 -0.079 0.000 2.447 2764 V CB 0.452 32.218 31.823 -0.094 0.000 1.172 2764 V HN 0.524 nan 8.190 nan 0.000 0.640 2765 E N 0.000 120.166 120.200 -0.057 0.000 2.725 2765 E HA 0.000 4.350 4.350 -0.001 0.000 0.291 2765 E CA 0.000 56.371 56.400 -0.048 0.000 0.976 2765 E CB 0.000 29.665 29.700 -0.058 0.000 0.812 2765 E HN 0.000 nan 8.360 nan 0.000 0.440