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 1ux5_1_A DATA FIRST_RESID 1350 DATA SEQUENCE KYPRPHKKLK QLHWEKLDCT DNSIWGTGKA EKFADDLYEK GVLADLEKAF DATA SEQUENCE AAREIKSLAS KRKEDLQKIT FLSRDISQQF GINLHMYSSL SVADLVKKIL DATA SEQUENCE NCDRDFLQTP SVVEFLSKSE IIEVSVNLAR NYAPYSTDWE GVRNLEDAKP DATA SEQUENCE PEKDPNDLQR ADQIYLQLMV NLESYWGSRM RALTVVTSYE REYNELLAKL DATA SEQUENCE RKVDKAVSAL QESDNLRNVF NVILAVGNFM NDTSKQAQGF KLSTLQRLTF DATA SEQUENCE IKDTTNSMTF LNYVEKIVRL NYPSFNDFLS ELEPVLDVVK VSIEQLVNDC DATA SEQUENCE KDFSQSIVNV ERSVEIGNLS DSSKFHPLDK VLIKTLPVLP EARKKGDLLE DATA SEQUENCE DEVKLTIMEF ESLMHTYGED SGDKFAKISF FKKFADFINE YKKAQAQNLA DATA SEQUENCE AEEEERLYIK H 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 1350 K HA 0.000 nan 4.320 nan 0.000 0.191 1350 K C 0.000 176.677 176.600 0.129 0.000 0.988 1350 K CA 0.000 56.321 56.287 0.056 0.000 0.838 1350 K CB 0.000 32.532 32.500 0.052 0.000 1.064 1351 Y N -0.332 119.942 120.300 -0.044 0.000 2.554 1351 Y HA 0.133 4.683 4.550 0.001 0.000 0.338 1351 Y C -2.763 173.097 175.900 -0.067 0.000 1.247 1351 Y CA -1.198 56.881 58.100 -0.035 0.000 1.255 1351 Y CB 1.480 39.940 38.460 0.000 0.000 1.346 1351 Y HN -0.010 nan 8.280 nan 0.000 0.481 1352 P HA 0.321 nan 4.420 nan 0.000 0.269 1352 P C -1.135 176.247 177.300 0.136 0.000 1.209 1352 P CA -0.190 62.907 63.100 -0.006 0.000 0.776 1352 P CB 0.555 32.261 31.700 0.010 0.000 0.876 1353 R N 2.290 122.855 120.500 0.109 0.000 2.686 1353 R HA 0.487 4.827 4.340 0.001 0.000 0.283 1353 R C -2.413 173.972 176.300 0.141 0.000 0.978 1353 R CA -1.826 54.339 56.100 0.108 0.000 0.897 1353 R CB 1.006 31.349 30.300 0.072 0.000 1.192 1353 R HN 0.437 nan 8.270 nan 0.000 0.457 1354 P HA 0.184 nan 4.420 nan 0.000 0.278 1354 P C 0.253 177.635 177.300 0.137 0.000 1.238 1354 P CA -0.245 62.931 63.100 0.127 0.000 0.794 1354 P CB 1.222 32.970 31.700 0.080 0.000 0.955 1355 H N 1.675 120.780 119.070 0.058 0.000 2.415 1355 H HA 0.113 4.669 4.556 0.001 0.000 0.297 1355 H C -0.002 175.344 175.328 0.030 0.000 1.048 1355 H CA 0.647 56.721 56.048 0.043 0.000 1.365 1355 H CB 0.669 30.458 29.762 0.045 0.000 1.421 1355 H HN 0.368 nan 8.280 nan 0.000 0.533 1356 K N 2.071 122.441 120.400 -0.050 0.000 2.159 1356 K HA 0.173 4.493 4.320 0.001 0.000 0.266 1356 K C -0.201 176.374 176.600 -0.043 0.000 0.975 1356 K CA -0.873 55.354 56.287 -0.100 0.000 0.865 1356 K CB 1.741 34.225 32.500 -0.026 0.000 1.087 1356 K HN 0.011 nan 8.250 nan 0.000 0.446 1357 K N 2.876 123.243 120.400 -0.056 0.000 2.436 1357 K HA 0.128 4.449 4.320 0.001 0.000 0.275 1357 K C 0.188 176.782 176.600 -0.010 0.000 0.999 1357 K CA 0.280 56.547 56.287 -0.035 0.000 0.980 1357 K CB 0.154 32.630 32.500 -0.040 0.000 0.919 1357 K HN 0.475 nan 8.250 nan 0.000 0.484 1358 L N 1.391 122.609 121.223 -0.009 0.000 2.304 1358 L HA 0.408 4.748 4.340 0.001 0.000 0.268 1358 L C 0.646 177.516 176.870 0.000 0.000 1.010 1358 L CA -1.218 53.633 54.840 0.018 0.000 0.813 1358 L CB 0.970 43.043 42.059 0.024 0.000 1.315 1358 L HN 0.368 nan 8.230 nan 0.000 0.445 1359 K N 1.358 121.786 120.400 0.045 0.000 2.414 1359 K HA 0.107 4.427 4.320 0.001 0.000 0.272 1359 K C -0.646 175.914 176.600 -0.067 0.000 0.993 1359 K CA -0.335 55.970 56.287 0.030 0.000 0.964 1359 K CB 0.428 33.002 32.500 0.124 0.000 0.925 1359 K HN 0.357 nan 8.250 nan 0.000 0.487 1360 Q N 1.739 121.487 119.800 -0.087 0.000 2.226 1360 Q HA 0.303 4.643 4.340 0.001 0.000 0.256 1360 Q C -0.702 175.146 176.000 -0.252 0.000 0.962 1360 Q CA -0.937 54.726 55.803 -0.234 0.000 0.887 1360 Q CB 1.455 30.003 28.738 -0.317 0.000 1.282 1360 Q HN 0.305 nan 8.270 nan 0.000 0.449 1361 L N 2.409 123.352 121.223 -0.468 0.000 2.295 1361 L HA 0.292 4.633 4.340 0.001 0.000 0.281 1361 L C -0.928 175.597 176.870 -0.574 0.000 1.018 1361 L CA -0.346 54.223 54.840 -0.452 0.000 0.841 1361 L CB 0.413 42.099 42.059 -0.621 0.000 1.218 1361 L HN 0.485 nan 8.230 nan 0.000 0.424 1362 H N 4.969 123.891 119.070 -0.248 0.000 2.923 1362 H HA 0.256 4.813 4.556 0.001 0.000 0.251 1362 H C -0.893 174.451 175.328 0.027 0.000 1.741 1362 H CA -0.121 55.849 56.048 -0.130 0.000 1.387 1362 H CB -0.519 29.211 29.762 -0.054 0.000 1.740 1362 H HN 0.619 nan 8.280 nan 0.000 0.544 1363 W N 0.415 121.712 121.300 -0.006 0.000 2.253 1363 W HA 0.442 5.103 4.660 0.001 0.000 0.348 1363 W C -0.343 176.157 176.519 -0.031 0.000 1.229 1363 W CA -1.567 55.764 57.345 -0.023 0.000 1.335 1363 W CB 0.395 29.815 29.460 -0.067 0.000 1.165 1363 W HN 0.228 nan 8.180 nan 0.000 0.631 1364 E N 2.031 122.351 120.200 0.200 0.000 2.081 1364 E HA 0.153 4.503 4.350 0.001 0.000 0.281 1364 E C -0.269 176.243 176.600 -0.147 0.000 0.986 1364 E CA -0.674 55.755 56.400 0.049 0.000 0.796 1364 E CB 0.775 30.494 29.700 0.031 0.000 1.085 1364 E HN 0.332 nan 8.360 nan 0.000 0.398 1365 K N 3.075 123.335 120.400 -0.232 0.000 2.218 1365 K HA 0.317 4.637 4.320 0.001 0.000 0.276 1365 K C -0.127 176.292 176.600 -0.301 0.000 1.022 1365 K CA -0.534 55.485 56.287 -0.447 0.000 0.946 1365 K CB 1.055 33.285 32.500 -0.450 0.000 1.000 1365 K HN 0.330 nan 8.250 nan 0.000 0.468 1366 L N 3.756 124.756 121.223 -0.373 0.000 2.360 1366 L HA -0.005 4.335 4.340 0.001 0.000 0.276 1366 L C 0.969 177.707 176.870 -0.219 0.000 1.121 1366 L CA -0.292 54.411 54.840 -0.229 0.000 0.845 1366 L CB 0.657 42.590 42.059 -0.211 0.000 1.143 1366 L HN 0.769 nan 8.230 nan 0.000 0.452 1367 D N 1.314 121.637 120.400 -0.129 0.000 2.133 1367 D HA -0.148 4.492 4.640 0.001 0.000 0.195 1367 D C 0.456 176.704 176.300 -0.087 0.000 0.997 1367 D CA 1.331 55.271 54.000 -0.101 0.000 0.840 1367 D CB 0.245 41.010 40.800 -0.059 0.000 0.947 1367 D HN 0.448 nan 8.370 nan 0.000 0.452 1368 C N -0.207 119.057 119.300 -0.060 0.000 2.888 1368 C HA 0.290 4.750 4.460 0.001 0.000 0.308 1368 C C -0.243 174.751 174.990 0.006 0.000 1.213 1368 C CA -0.564 58.435 59.018 -0.032 0.000 1.461 1368 C CB 1.687 29.419 27.740 -0.014 0.000 1.934 1368 C HN 0.061 nan 8.230 nan 0.000 0.474 1369 T N 5.296 119.866 114.554 0.026 0.000 3.162 1369 T HA 0.170 4.520 4.350 0.001 0.000 0.264 1369 T C 0.205 174.942 174.700 0.062 0.000 0.959 1369 T CA 0.602 62.751 62.100 0.082 0.000 1.118 1369 T CB -0.533 68.385 68.868 0.083 0.000 0.979 1369 T HN 0.654 nan 8.240 nan 0.000 0.679 1370 D N 2.463 122.903 120.400 0.066 0.000 2.384 1370 D HA 0.148 4.789 4.640 0.001 0.000 0.257 1370 D C 0.410 176.733 176.300 0.039 0.000 1.226 1370 D CA -0.617 53.408 54.000 0.042 0.000 1.129 1370 D CB 0.160 40.980 40.800 0.033 0.000 1.197 1370 D HN 0.206 nan 8.370 nan 0.000 0.571 1371 N N 0.131 118.848 118.700 0.027 0.000 3.103 1371 N HA 0.137 4.877 4.740 0.001 0.000 0.305 1371 N C -0.531 174.987 175.510 0.014 0.000 1.232 1371 N CA -0.061 52.997 53.050 0.015 0.000 1.190 1371 N CB -0.012 38.479 38.487 0.008 0.000 1.461 1371 N HN 0.216 nan 8.380 nan 0.000 0.538 1372 S N -0.990 114.722 115.700 0.020 0.000 2.840 1372 S HA 0.401 4.871 4.470 0.001 0.000 0.307 1372 S C 0.898 175.453 174.600 -0.075 0.000 1.180 1372 S CA -1.019 57.180 58.200 -0.003 0.000 0.846 1372 S CB 0.351 63.598 63.200 0.078 0.000 1.233 1372 S HN 0.231 nan 8.310 nan 0.000 0.548 1373 I N -2.013 118.423 120.570 -0.222 0.000 3.001 1373 I HA 0.289 4.459 4.170 0.001 0.000 0.268 1373 I C -0.226 175.606 176.117 -0.475 0.000 1.267 1373 I CA -0.146 60.914 61.300 -0.401 0.000 1.472 1373 I CB -0.223 37.411 38.000 -0.610 0.000 1.089 1373 I HN 0.474 nan 8.210 nan 0.000 0.468 1374 W N 1.367 122.658 121.300 -0.016 0.000 2.359 1374 W HA 0.607 5.268 4.660 0.001 0.000 0.344 1374 W C 1.200 177.709 176.519 -0.015 0.000 1.170 1374 W CA 0.121 57.455 57.345 -0.018 0.000 1.296 1374 W CB 0.779 30.214 29.460 -0.041 0.000 1.197 1374 W HN 0.108 nan 8.180 nan 0.000 0.618 1375 G N 0.334 109.297 108.800 0.272 0.000 2.248 1375 G HA2 -0.289 3.672 3.960 0.001 0.000 0.263 1375 G HA3 -0.289 3.672 3.960 0.001 0.000 0.263 1375 G C 0.343 175.287 174.900 0.074 0.000 1.082 1375 G CA 0.413 45.598 45.100 0.141 0.000 0.863 1375 G HN 0.785 nan 8.290 nan 0.000 0.495 1376 T N -3.493 111.097 114.554 0.060 0.000 3.069 1376 T HA 0.481 4.832 4.350 0.001 0.000 0.252 1376 T C 2.319 177.015 174.700 -0.007 0.000 1.053 1376 T CA 1.531 63.637 62.100 0.010 0.000 0.964 1376 T CB 0.734 69.593 68.868 -0.015 0.000 1.005 1376 T HN 2.159 nan 8.240 nan 0.000 0.532 1377 G N 2.114 110.922 108.800 0.014 0.000 2.299 1377 G HA2 -0.367 3.594 3.960 0.001 0.000 0.237 1377 G HA3 -0.367 3.594 3.960 0.001 0.000 0.237 1377 G C 1.051 175.913 174.900 -0.063 0.000 1.027 1377 G CA 0.459 45.547 45.100 -0.020 0.000 0.619 1377 G HN 0.528 nan 8.290 nan 0.000 0.513 1378 K N 0.877 121.225 120.400 -0.088 0.000 2.077 1378 K HA -0.099 4.222 4.320 0.001 0.000 0.213 1378 K C 2.971 179.439 176.600 -0.220 0.000 1.051 1378 K CA 2.184 58.331 56.287 -0.233 0.000 0.929 1378 K CB -0.429 31.966 32.500 -0.175 0.000 0.715 1378 K HN 0.751 nan 8.250 nan 0.000 0.451 1379 A N 1.788 124.666 122.820 0.096 0.000 1.917 1379 A HA -0.272 4.048 4.320 0.001 0.000 0.219 1379 A C 1.947 179.611 177.584 0.133 0.000 1.182 1379 A CA 1.974 54.187 52.037 0.293 0.000 0.633 1379 A CB -0.504 18.704 19.000 0.347 0.000 0.819 1379 A HN 0.421 nan 8.150 nan 0.000 0.448 1380 E N -0.297 119.867 120.200 -0.060 0.000 2.152 1380 E HA -0.155 4.195 4.350 0.001 0.000 0.192 1380 E C 1.999 178.472 176.600 -0.211 0.000 0.983 1380 E CA 1.129 57.352 56.400 -0.295 0.000 0.818 1380 E CB -0.162 29.355 29.700 -0.306 0.000 0.758 1380 E HN 0.623 nan 8.360 nan 0.000 0.467 1381 K N 0.444 120.727 120.400 -0.196 0.000 2.057 1381 K HA -0.097 4.224 4.320 0.001 0.000 0.207 1381 K C 1.937 178.472 176.600 -0.108 0.000 1.049 1381 K CA 1.156 57.322 56.287 -0.203 0.000 0.931 1381 K CB -0.184 32.131 32.500 -0.308 0.000 0.714 1381 K HN 0.106 nan 8.250 nan 0.000 0.440 1382 F N 1.176 121.123 119.950 -0.005 0.000 2.102 1382 F HA -0.238 4.289 4.527 0.001 0.000 0.298 1382 F C 2.660 178.482 175.800 0.037 0.000 1.105 1382 F CA 0.650 58.668 58.000 0.030 0.000 1.239 1382 F CB -0.306 38.730 39.000 0.060 0.000 0.991 1382 F HN 0.068 nan 8.300 nan 0.000 0.474 1383 A N 0.196 123.142 122.820 0.211 0.000 1.892 1383 A HA -0.251 4.070 4.320 0.001 0.000 0.218 1383 A C 1.850 179.496 177.584 0.104 0.000 1.188 1383 A CA 2.330 54.449 52.037 0.136 0.000 0.631 1383 A CB -0.859 18.099 19.000 -0.069 0.000 0.822 1383 A HN 0.293 nan 8.150 nan 0.000 0.447 1384 D N -0.559 119.849 120.400 0.012 0.000 2.097 1384 D HA -0.113 4.528 4.640 0.001 0.000 0.197 1384 D C 1.679 178.052 176.300 0.122 0.000 0.984 1384 D CA 1.579 55.594 54.000 0.025 0.000 0.826 1384 D CB -0.515 40.256 40.800 -0.049 0.000 0.973 1384 D HN 0.525 nan 8.370 nan 0.000 0.460 1385 D N 0.307 120.778 120.400 0.117 0.000 2.092 1385 D HA -0.116 4.525 4.640 0.001 0.000 0.193 1385 D C 2.285 178.680 176.300 0.158 0.000 0.994 1385 D CA 0.806 54.887 54.000 0.135 0.000 0.828 1385 D CB -0.238 40.655 40.800 0.155 0.000 0.963 1385 D HN 0.088 nan 8.370 nan 0.000 0.450 1386 L N -0.573 120.759 121.223 0.181 0.000 2.043 1386 L HA -0.222 4.119 4.340 0.001 0.000 0.212 1386 L C 2.415 179.376 176.870 0.151 0.000 1.075 1386 L CA 1.540 56.469 54.840 0.149 0.000 0.752 1386 L CB -0.756 41.392 42.059 0.150 0.000 0.891 1386 L HN 0.234 nan 8.230 nan 0.000 0.432 1387 Y N 1.158 121.498 120.300 0.067 0.000 2.097 1387 Y HA -0.305 4.246 4.550 0.001 0.000 0.282 1387 Y C 2.546 178.472 175.900 0.044 0.000 1.152 1387 Y CA 2.003 60.137 58.100 0.056 0.000 1.136 1387 Y CB -0.137 38.355 38.460 0.054 0.000 0.975 1387 Y HN 0.199 nan 8.280 nan 0.000 0.498 1388 E N 0.124 120.472 120.200 0.245 0.000 2.118 1388 E HA -0.224 4.127 4.350 0.001 0.000 0.195 1388 E C 1.748 178.355 176.600 0.012 0.000 0.992 1388 E CA 1.527 58.003 56.400 0.127 0.000 0.804 1388 E CB -0.206 29.573 29.700 0.132 0.000 0.741 1388 E HN 0.518 nan 8.360 nan 0.000 0.458 1389 K N -0.427 119.986 120.400 0.023 0.000 2.525 1389 K HA 0.047 4.367 4.320 0.001 0.000 0.192 1389 K C 1.151 177.731 176.600 -0.033 0.000 1.029 1389 K CA 0.469 56.758 56.287 0.004 0.000 1.029 1389 K CB 0.472 32.990 32.500 0.030 0.000 0.814 1389 K HN 0.285 nan 8.250 nan 0.000 0.503 1390 G N 0.681 109.426 108.800 -0.092 0.000 2.205 1390 G HA2 -0.316 3.644 3.960 0.001 0.000 0.261 1390 G HA3 -0.316 3.644 3.960 0.001 0.000 0.261 1390 G C 1.045 175.908 174.900 -0.062 0.000 0.980 1390 G CA 0.438 45.468 45.100 -0.117 0.000 0.632 1390 G HN 0.137 nan 8.290 nan 0.000 0.533 1391 V N 1.366 121.269 119.914 -0.017 0.000 2.282 1391 V HA -0.232 3.889 4.120 0.001 0.000 0.249 1391 V C 2.943 179.055 176.094 0.030 0.000 1.057 1391 V CA 2.419 64.729 62.300 0.017 0.000 1.032 1391 V CB -0.578 31.267 31.823 0.036 0.000 0.645 1391 V HN 0.526 nan 8.190 nan 0.000 0.447 1392 L N -0.046 121.197 121.223 0.035 0.000 2.079 1392 L HA -0.195 4.146 4.340 0.001 0.000 0.210 1392 L C 2.723 179.619 176.870 0.044 0.000 1.081 1392 L CA 1.622 56.505 54.840 0.072 0.000 0.752 1392 L CB -0.886 41.267 42.059 0.156 0.000 0.896 1392 L HN 0.410 nan 8.230 nan 0.000 0.433 1393 A N -0.142 122.663 122.820 -0.026 0.000 1.930 1393 A HA -0.202 4.119 4.320 0.001 0.000 0.217 1393 A C 1.921 179.516 177.584 0.019 0.000 1.175 1393 A CA 1.722 53.748 52.037 -0.019 0.000 0.627 1393 A CB -0.379 18.576 19.000 -0.077 0.000 0.815 1393 A HN 0.375 nan 8.150 nan 0.000 0.443 1394 D N -0.193 120.220 120.400 0.021 0.000 2.097 1394 D HA -0.126 4.514 4.640 0.001 0.000 0.195 1394 D C 1.828 178.178 176.300 0.083 0.000 0.989 1394 D CA 1.080 55.103 54.000 0.038 0.000 0.827 1394 D CB -0.428 40.393 40.800 0.036 0.000 0.966 1394 D HN 0.298 nan 8.370 nan 0.000 0.456 1395 L N 1.299 122.594 121.223 0.120 0.000 2.081 1395 L HA -0.193 4.148 4.340 0.001 0.000 0.212 1395 L C 2.277 179.283 176.870 0.226 0.000 1.080 1395 L CA 1.542 56.514 54.840 0.221 0.000 0.754 1395 L CB -0.389 41.757 42.059 0.146 0.000 0.893 1395 L HN 0.021 nan 8.230 nan 0.000 0.433 1396 E N -0.925 119.354 120.200 0.131 0.000 2.153 1396 E HA -0.244 4.107 4.350 0.001 0.000 0.194 1396 E C 2.022 178.675 176.600 0.088 0.000 0.988 1396 E CA 1.204 57.670 56.400 0.110 0.000 0.811 1396 E CB 0.129 29.882 29.700 0.089 0.000 0.746 1396 E HN 0.467 nan 8.360 nan 0.000 0.466 1397 K N -0.412 120.025 120.400 0.062 0.000 2.128 1397 K HA 0.088 4.409 4.320 0.001 0.000 0.202 1397 K C 2.103 178.689 176.600 -0.024 0.000 1.050 1397 K CA 0.681 56.980 56.287 0.020 0.000 0.966 1397 K CB 0.075 32.579 32.500 0.006 0.000 0.759 1397 K HN 0.045 nan 8.250 nan 0.000 0.454 1398 A N 0.638 123.438 122.820 -0.033 0.000 1.972 1398 A HA -0.101 4.220 4.320 0.001 0.000 0.219 1398 A C 1.104 178.367 177.584 -0.536 0.000 1.169 1398 A CA 1.319 53.203 52.037 -0.254 0.000 0.635 1398 A CB -0.299 18.584 19.000 -0.195 0.000 0.810 1398 A HN 0.260 nan 8.150 nan 0.000 0.446 1399 F N -0.606 119.336 119.950 -0.012 0.000 2.805 1399 F HA 0.529 5.057 4.527 0.001 0.000 0.317 1399 F C 0.991 176.779 175.800 -0.021 0.000 1.146 1399 F CA -0.587 57.402 58.000 -0.019 0.000 1.265 1399 F CB -0.059 38.925 39.000 -0.027 0.000 0.992 1399 F HN 0.186 nan 8.300 nan 0.000 0.511 1400 A N 0.505 123.371 122.820 0.077 0.000 2.531 1400 A HA 0.449 4.770 4.320 0.001 0.000 0.236 1400 A C 1.533 179.137 177.584 0.034 0.000 1.062 1400 A CA 0.641 52.706 52.037 0.047 0.000 0.760 1400 A CB 0.329 19.340 19.000 0.017 0.000 0.995 1400 A HN 0.501 nan 8.150 nan 0.000 0.501 1401 A N 2.733 125.569 122.820 0.026 0.000 1.970 1401 A HA 0.077 4.397 4.320 0.001 0.000 0.216 1401 A C 1.245 178.830 177.584 0.003 0.000 1.170 1401 A CA 0.787 52.834 52.037 0.017 0.000 0.645 1401 A CB -0.039 18.965 19.000 0.008 0.000 0.816 1401 A HN 0.660 nan 8.150 nan 0.000 0.447 1402 R N 0.920 121.418 120.500 -0.004 0.000 2.338 1402 R HA 0.271 4.612 4.340 0.001 0.000 0.317 1402 R C -0.333 175.960 176.300 -0.011 0.000 0.968 1402 R CA -0.502 55.593 56.100 -0.009 0.000 0.849 1402 R CB 0.665 30.958 30.300 -0.012 0.000 1.128 1402 R HN 0.626 nan 8.270 nan 0.000 0.448 1403 E N 3.583 123.775 120.200 -0.013 0.000 2.529 1403 E HA -0.072 4.279 4.350 0.001 0.000 0.259 1403 E C -0.140 176.453 176.600 -0.011 0.000 0.966 1403 E CA -0.080 56.310 56.400 -0.016 0.000 0.937 1403 E CB 0.534 30.225 29.700 -0.016 0.000 0.923 1403 E HN 0.428 nan 8.360 nan 0.000 0.468 1404 I N 5.659 126.223 120.570 -0.011 0.000 2.821 1404 I HA -0.191 3.979 4.170 0.001 0.000 0.294 1404 I C 1.637 177.751 176.117 -0.004 0.000 1.210 1404 I CA 0.587 61.884 61.300 -0.005 0.000 1.430 1404 I CB 0.389 38.387 38.000 -0.003 0.000 1.356 1404 I HN 0.712 nan 8.210 nan 0.000 0.563 1405 K N 3.339 123.738 120.400 -0.002 0.000 2.089 1405 K HA -0.223 4.097 4.320 0.001 0.000 0.210 1405 K C 2.168 178.767 176.600 -0.001 0.000 1.048 1405 K CA 1.765 58.050 56.287 -0.002 0.000 0.926 1405 K CB -0.177 32.324 32.500 -0.000 0.000 0.714 1405 K HN 0.698 nan 8.250 nan 0.000 0.448 1406 S N 1.286 116.986 115.700 0.001 0.000 2.365 1406 S HA -0.157 4.314 4.470 0.001 0.000 0.221 1406 S C 1.933 176.532 174.600 -0.001 0.000 1.037 1406 S CA 1.355 59.556 58.200 0.002 0.000 1.060 1406 S CB -0.329 62.873 63.200 0.004 0.000 0.974 1406 S HN 0.240 nan 8.310 nan 0.000 0.427 1407 L N 1.318 122.540 121.223 -0.002 0.000 2.131 1407 L HA -0.063 4.278 4.340 0.001 0.000 0.210 1407 L C 2.931 179.798 176.870 -0.005 0.000 1.092 1407 L CA 1.024 55.862 54.840 -0.004 0.000 0.759 1407 L CB -0.828 41.227 42.059 -0.006 0.000 0.903 1407 L HN 0.442 nan 8.230 nan 0.000 0.435 1408 A N 0.796 123.612 122.820 -0.006 0.000 1.873 1408 A HA -0.278 4.043 4.320 0.001 0.000 0.218 1408 A C 2.594 180.173 177.584 -0.007 0.000 1.193 1408 A CA 2.552 54.585 52.037 -0.008 0.000 0.629 1408 A CB -0.889 18.107 19.000 -0.008 0.000 0.826 1408 A HN 0.534 nan 8.150 nan 0.000 0.447 1409 S N -0.155 115.541 115.700 -0.006 0.000 2.345 1409 S HA -0.217 4.254 4.470 0.001 0.000 0.220 1409 S C 1.994 176.590 174.600 -0.006 0.000 1.031 1409 S CA 1.597 59.793 58.200 -0.006 0.000 0.996 1409 S CB -0.510 62.688 63.200 -0.004 0.000 0.882 1409 S HN 0.603 nan 8.310 nan 0.000 0.445 1410 K N 1.461 121.858 120.400 -0.004 0.000 2.113 1410 K HA -0.159 4.162 4.320 0.001 0.000 0.208 1410 K C 2.594 179.190 176.600 -0.006 0.000 1.047 1410 K CA 1.430 57.714 56.287 -0.004 0.000 0.928 1410 K CB -0.221 32.279 32.500 -0.000 0.000 0.716 1410 K HN 0.404 nan 8.250 nan 0.000 0.446 1411 R N 0.870 121.366 120.500 -0.007 0.000 2.193 1411 R HA -0.058 4.282 4.340 0.001 0.000 0.213 1411 R C 1.416 177.708 176.300 -0.013 0.000 1.055 1411 R CA 1.163 57.258 56.100 -0.009 0.000 0.995 1411 R CB 0.126 30.421 30.300 -0.008 0.000 0.893 1411 R HN 0.172 nan 8.270 nan 0.000 0.459 1412 K N 0.198 120.591 120.400 -0.013 0.000 2.137 1412 K HA -0.098 4.223 4.320 0.001 0.000 0.202 1412 K C 1.938 178.528 176.600 -0.018 0.000 1.052 1412 K CA 1.138 57.416 56.287 -0.015 0.000 0.961 1412 K CB 0.034 32.526 32.500 -0.013 0.000 0.741 1412 K HN 0.240 nan 8.250 nan 0.000 0.452 1413 E N 1.492 121.683 120.200 -0.016 0.000 2.015 1413 E HA -0.199 4.152 4.350 0.001 0.000 0.191 1413 E C 1.283 177.869 176.600 -0.023 0.000 0.991 1413 E CA 1.120 57.510 56.400 -0.017 0.000 0.802 1413 E CB 0.051 29.744 29.700 -0.012 0.000 0.759 1413 E HN 0.063 nan 8.360 nan 0.000 0.447 1414 D N 0.224 120.612 120.400 -0.021 0.000 2.396 1414 D HA -0.067 4.574 4.640 0.001 0.000 0.255 1414 D C 0.838 177.118 176.300 -0.033 0.000 1.224 1414 D CA 0.079 54.063 54.000 -0.026 0.000 0.894 1414 D CB 0.276 41.066 40.800 -0.017 0.000 0.939 1414 D HN 0.183 nan 8.370 nan 0.000 0.506 1415 L N -0.296 120.907 121.223 -0.034 0.000 2.920 1415 L HA 0.213 4.553 4.340 0.001 0.000 0.257 1415 L C 1.553 178.394 176.870 -0.048 0.000 1.150 1415 L CA 0.368 55.185 54.840 -0.038 0.000 0.959 1415 L CB 0.470 42.512 42.059 -0.029 0.000 1.321 1415 L HN -0.139 nan 8.230 nan 0.000 0.555 1416 Q N -0.716 119.055 119.800 -0.049 0.000 2.392 1416 Q HA 0.133 4.474 4.340 0.001 0.000 0.219 1416 Q C 0.292 176.248 176.000 -0.073 0.000 0.895 1416 Q CA -0.106 55.664 55.803 -0.054 0.000 0.929 1416 Q CB 0.709 29.422 28.738 -0.041 0.000 1.077 1416 Q HN 0.319 nan 8.270 nan 0.000 0.532 1417 K N 1.210 121.564 120.400 -0.076 0.000 2.218 1417 K HA 0.008 4.329 4.320 0.001 0.000 0.250 1417 K C 0.185 176.694 176.600 -0.152 0.000 1.024 1417 K CA 0.189 56.417 56.287 -0.098 0.000 0.842 1417 K CB 0.449 32.894 32.500 -0.091 0.000 1.041 1417 K HN 0.090 nan 8.250 nan 0.000 0.522 1418 I N 0.387 120.837 120.570 -0.201 0.000 2.472 1418 I HA 0.055 4.225 4.170 0.001 0.000 0.290 1418 I C -0.646 175.195 176.117 -0.461 0.000 1.016 1418 I CA 0.333 61.427 61.300 -0.343 0.000 1.348 1418 I CB 0.957 38.743 38.000 -0.356 0.000 1.417 1418 I HN 0.421 nan 8.210 nan 0.000 0.521 1419 T N 7.011 121.204 114.554 -0.601 0.000 2.993 1419 T HA 0.407 4.758 4.350 0.001 0.000 0.312 1419 T C -0.280 174.035 174.700 -0.642 0.000 1.115 1419 T CA -0.189 61.603 62.100 -0.514 0.000 1.027 1419 T CB 1.081 69.802 68.868 -0.245 0.000 1.116 1419 T HN 0.383 nan 8.240 nan 0.000 0.464 1420 F N 0.918 120.773 119.950 -0.159 0.000 2.661 1420 F HA 0.451 4.979 4.527 0.001 0.000 0.306 1420 F C 0.424 176.219 175.800 -0.008 0.000 1.094 1420 F CA -0.451 57.487 58.000 -0.103 0.000 1.254 1420 F CB 0.216 39.090 39.000 -0.210 0.000 1.040 1420 F HN 0.142 nan 8.300 nan 0.000 0.562 1421 L N 0.127 121.406 121.223 0.093 0.000 2.357 1421 L HA 0.381 4.721 4.340 0.001 0.000 0.273 1421 L C 0.804 177.663 176.870 -0.018 0.000 1.080 1421 L CA -0.631 54.203 54.840 -0.009 0.000 0.803 1421 L CB 1.177 43.147 42.059 -0.148 0.000 1.174 1421 L HN -0.015 nan 8.230 nan 0.000 0.443 1422 S N 1.148 116.843 115.700 -0.008 0.000 2.592 1422 S HA 0.058 4.529 4.470 0.001 0.000 0.256 1422 S C 1.192 175.795 174.600 0.005 0.000 1.369 1422 S CA -0.378 57.828 58.200 0.009 0.000 0.984 1422 S CB 0.451 63.667 63.200 0.026 0.000 0.919 1422 S HN 0.552 nan 8.310 nan 0.000 0.576 1423 R N 0.541 121.047 120.500 0.011 0.000 2.148 1423 R HA -0.053 4.287 4.340 0.001 0.000 0.223 1423 R C 1.191 177.510 176.300 0.030 0.000 1.088 1423 R CA 1.150 57.257 56.100 0.011 0.000 0.985 1423 R CB -0.232 30.073 30.300 0.008 0.000 0.880 1423 R HN 0.629 nan 8.270 nan 0.000 0.451 1424 D N 0.847 121.273 120.400 0.043 0.000 2.106 1424 D HA -0.107 4.534 4.640 0.001 0.000 0.203 1424 D C 2.005 178.370 176.300 0.108 0.000 0.977 1424 D CA 0.862 54.901 54.000 0.066 0.000 0.844 1424 D CB -0.052 40.787 40.800 0.066 0.000 1.002 1424 D HN 0.027 nan 8.370 nan 0.000 0.461 1425 I N 1.301 121.943 120.570 0.120 0.000 2.099 1425 I HA -0.224 3.947 4.170 0.001 0.000 0.239 1425 I C 2.643 178.933 176.117 0.288 0.000 1.066 1425 I CA 0.974 62.404 61.300 0.217 0.000 1.324 1425 I CB -1.360 36.715 38.000 0.124 0.000 1.037 1425 I HN -0.046 nan 8.210 nan 0.000 0.401 1426 S N -0.200 115.557 115.700 0.094 0.000 2.402 1426 S HA -0.279 4.191 4.470 0.001 0.000 0.233 1426 S C 2.001 176.680 174.600 0.132 0.000 1.030 1426 S CA 1.837 60.053 58.200 0.026 0.000 1.003 1426 S CB -0.130 63.041 63.200 -0.048 0.000 0.813 1426 S HN 0.484 nan 8.310 nan 0.000 0.477 1427 Q N 0.438 120.309 119.800 0.118 0.000 1.969 1427 Q HA -0.156 4.184 4.340 0.001 0.000 0.198 1427 Q C 2.289 178.352 176.000 0.105 0.000 0.978 1427 Q CA 1.680 57.538 55.803 0.091 0.000 0.830 1427 Q CB -0.281 28.491 28.738 0.056 0.000 0.896 1427 Q HN 0.847 nan 8.270 nan 0.000 0.431 1428 Q N -0.914 118.951 119.800 0.109 0.000 2.508 1428 Q HA -0.155 4.185 4.340 0.001 0.000 0.214 1428 Q C 1.396 177.323 176.000 -0.122 0.000 0.979 1428 Q CA 0.797 56.602 55.803 0.004 0.000 0.911 1428 Q CB -0.226 28.535 28.738 0.038 0.000 0.969 1428 Q HN 0.313 nan 8.270 nan 0.000 0.504 1429 F N 1.587 121.521 119.950 -0.027 0.000 2.098 1429 F HA 0.073 4.601 4.527 0.001 0.000 0.294 1429 F C 2.431 178.196 175.800 -0.058 0.000 1.107 1429 F CA 1.745 59.755 58.000 0.017 0.000 1.234 1429 F CB -0.507 38.583 39.000 0.150 0.000 1.002 1429 F HN 0.240 nan 8.300 nan 0.000 0.472 1430 G N -0.032 108.880 108.800 0.185 0.000 2.408 1430 G HA2 -0.184 3.776 3.960 0.001 0.000 0.217 1430 G HA3 -0.184 3.776 3.960 0.001 0.000 0.217 1430 G C 1.787 176.717 174.900 0.051 0.000 1.150 1430 G CA 0.890 46.059 45.100 0.115 0.000 0.776 1430 G HN 0.333 nan 8.290 nan 0.000 0.542 1431 I N 1.150 121.711 120.570 -0.015 0.000 2.058 1431 I HA -0.213 3.958 4.170 0.001 0.000 0.235 1431 I C 2.325 178.433 176.117 -0.015 0.000 1.053 1431 I CA 1.510 62.786 61.300 -0.040 0.000 1.313 1431 I CB -0.367 37.580 38.000 -0.088 0.000 1.039 1431 I HN 0.105 nan 8.210 nan 0.000 0.396 1432 N N 0.501 119.053 118.700 -0.246 0.000 2.519 1432 N HA -0.066 4.674 4.740 0.001 0.000 0.186 1432 N C 0.930 176.348 175.510 -0.153 0.000 1.062 1432 N CA 0.824 53.687 53.050 -0.311 0.000 0.910 1432 N CB -0.024 37.922 38.487 -0.902 0.000 0.958 1432 N HN 0.345 nan 8.380 nan 0.000 0.445 1433 L N 0.163 121.347 121.223 -0.066 0.000 3.122 1433 L HA 0.167 4.508 4.340 0.001 0.000 0.274 1433 L C 1.483 178.373 176.870 0.034 0.000 1.222 1433 L CA -0.213 54.670 54.840 0.071 0.000 1.028 1433 L CB -0.109 42.044 42.059 0.158 0.000 1.386 1433 L HN 0.353 nan 8.230 nan 0.000 0.578 1434 H N 0.963 120.023 119.070 -0.018 0.000 2.390 1434 H HA -0.209 4.347 4.556 0.001 0.000 0.298 1434 H C 1.923 177.198 175.328 -0.088 0.000 1.106 1434 H CA 1.673 57.699 56.048 -0.036 0.000 1.297 1434 H CB -0.279 29.449 29.762 -0.057 0.000 1.375 1434 H HN 0.446 nan 8.280 nan 0.000 0.509 1435 M N -0.519 118.539 119.600 -0.903 0.000 2.629 1435 M HA -0.085 4.395 4.480 0.001 0.000 0.257 1435 M C 0.193 176.099 176.300 -0.658 0.000 1.071 1435 M CA 1.209 56.055 55.300 -0.757 0.000 1.077 1435 M CB -1.282 30.767 32.600 -0.917 0.000 1.423 1435 M HN 0.277 nan 8.290 nan 0.000 0.508 1436 Y N 0.140 120.376 120.300 -0.107 0.000 2.660 1436 Y HA 0.319 4.870 4.550 0.001 0.000 0.254 1436 Y C 1.993 177.885 175.900 -0.013 0.000 1.176 1436 Y CA -0.409 57.663 58.100 -0.047 0.000 1.195 1436 Y CB 0.200 38.636 38.460 -0.040 0.000 1.190 1436 Y HN 0.224 nan 8.280 nan 0.000 0.535 1437 S N 0.157 115.906 115.700 0.081 0.000 2.387 1437 S HA -0.236 4.235 4.470 0.001 0.000 0.230 1437 S C 2.065 176.702 174.600 0.062 0.000 1.035 1437 S CA 1.957 60.202 58.200 0.074 0.000 1.014 1437 S CB -0.372 62.861 63.200 0.055 0.000 0.836 1437 S HN 0.610 nan 8.310 nan 0.000 0.466 1438 S N 0.234 115.965 115.700 0.052 0.000 2.650 1438 S HA 0.228 4.699 4.470 0.001 0.000 0.219 1438 S C 0.140 174.772 174.600 0.054 0.000 0.960 1438 S CA -0.231 57.995 58.200 0.043 0.000 0.925 1438 S CB -0.391 62.826 63.200 0.027 0.000 0.775 1438 S HN 0.131 nan 8.310 nan 0.000 0.525 1439 L N 2.333 123.602 121.223 0.077 0.000 2.334 1439 L HA 0.539 4.879 4.340 0.001 0.000 0.273 1439 L C 0.413 177.309 176.870 0.043 0.000 1.013 1439 L CA -0.505 54.372 54.840 0.063 0.000 0.816 1439 L CB 1.669 43.776 42.059 0.080 0.000 1.278 1439 L HN 0.187 nan 8.230 nan 0.000 0.431 1440 S N 0.187 115.903 115.700 0.027 0.000 2.564 1440 S HA 0.200 4.671 4.470 0.001 0.000 0.278 1440 S C 1.327 175.934 174.600 0.011 0.000 1.333 1440 S CA -0.829 57.383 58.200 0.021 0.000 1.048 1440 S CB 1.045 64.256 63.200 0.018 0.000 0.900 1440 S HN 0.365 nan 8.310 nan 0.000 0.505 1441 V N 2.699 122.622 119.914 0.014 0.000 2.428 1441 V HA -0.329 3.792 4.120 0.001 0.000 0.255 1441 V C 2.840 178.926 176.094 -0.013 0.000 1.080 1441 V CA 2.500 64.803 62.300 0.005 0.000 1.083 1441 V CB -1.868 29.965 31.823 0.016 0.000 0.665 1441 V HN 1.047 nan 8.190 nan 0.000 0.461 1442 A N 0.271 123.091 122.820 0.000 0.000 1.851 1442 A HA -0.297 4.023 4.320 0.001 0.000 0.216 1442 A C 1.967 179.530 177.584 -0.035 0.000 1.195 1442 A CA 2.419 54.455 52.037 -0.001 0.000 0.622 1442 A CB -0.833 18.179 19.000 0.020 0.000 0.831 1442 A HN 0.564 nan 8.150 nan 0.000 0.444 1443 D N -0.701 119.681 120.400 -0.031 0.000 2.144 1443 D HA -0.097 4.544 4.640 0.001 0.000 0.200 1443 D C 1.823 178.058 176.300 -0.110 0.000 0.978 1443 D CA 1.188 55.158 54.000 -0.050 0.000 0.833 1443 D CB -0.267 40.523 40.800 -0.017 0.000 0.961 1443 D HN 0.354 nan 8.370 nan 0.000 0.470 1444 L N 0.242 121.395 121.223 -0.117 0.000 2.046 1444 L HA -0.126 4.214 4.340 0.001 0.000 0.208 1444 L C 2.031 178.725 176.870 -0.294 0.000 1.077 1444 L CA 1.434 56.134 54.840 -0.232 0.000 0.747 1444 L CB -0.497 41.474 42.059 -0.146 0.000 0.896 1444 L HN -0.050 nan 8.230 nan 0.000 0.432 1445 V N 0.156 119.950 119.914 -0.200 0.000 2.307 1445 V HA -0.283 3.837 4.120 0.001 0.000 0.245 1445 V C 2.701 178.633 176.094 -0.270 0.000 1.045 1445 V CA 2.119 64.283 62.300 -0.226 0.000 1.024 1445 V CB -0.584 31.143 31.823 -0.159 0.000 0.651 1445 V HN 0.599 nan 8.190 nan 0.000 0.449 1446 K N -0.030 120.245 120.400 -0.210 0.000 2.360 1446 K HA -0.243 4.077 4.320 0.001 0.000 0.201 1446 K C 2.075 178.546 176.600 -0.214 0.000 1.046 1446 K CA 1.438 57.607 56.287 -0.196 0.000 0.945 1446 K CB 0.017 32.450 32.500 -0.112 0.000 0.750 1446 K HN 0.301 nan 8.250 nan 0.000 0.464 1447 K N 1.322 121.559 120.400 -0.273 0.000 2.007 1447 K HA -0.017 4.303 4.320 0.001 0.000 0.206 1447 K C 1.828 178.126 176.600 -0.504 0.000 1.047 1447 K CA 1.345 57.432 56.287 -0.332 0.000 0.937 1447 K CB -0.151 32.076 32.500 -0.454 0.000 0.718 1447 K HN 0.138 nan 8.250 nan 0.000 0.438 1448 I N 0.715 120.869 120.570 -0.692 0.000 2.286 1448 I HA -0.243 3.927 4.170 0.001 0.000 0.248 1448 I C 1.958 177.807 176.117 -0.446 0.000 1.115 1448 I CA 1.048 61.757 61.300 -0.986 0.000 1.392 1448 I CB -0.220 37.385 38.000 -0.659 0.000 1.065 1448 I HN 0.143 nan 8.210 nan 0.000 0.418 1449 L N 0.055 121.103 121.223 -0.291 0.000 2.131 1449 L HA -0.085 4.256 4.340 0.001 0.000 0.206 1449 L C 1.850 178.651 176.870 -0.115 0.000 1.087 1449 L CA 1.025 55.753 54.840 -0.187 0.000 0.767 1449 L CB -0.620 41.248 42.059 -0.318 0.000 0.917 1449 L HN 0.205 nan 8.230 nan 0.000 0.441 1450 N N -0.445 118.183 118.700 -0.119 0.000 2.512 1450 N HA -0.105 4.636 4.740 0.001 0.000 0.183 1450 N C 1.007 176.532 175.510 0.024 0.000 1.073 1450 N CA 0.893 53.915 53.050 -0.046 0.000 0.911 1450 N CB -0.244 38.215 38.487 -0.046 0.000 0.964 1450 N HN 0.408 nan 8.380 nan 0.000 0.447 1451 C N -1.191 118.153 119.300 0.073 0.000 4.320 1451 C HA -0.195 4.266 4.460 0.001 0.000 0.281 1451 C C -0.480 174.722 174.990 0.353 0.000 1.432 1451 C CA -1.073 58.144 59.018 0.330 0.000 1.884 1451 C CB -2.802 25.047 27.740 0.180 0.000 1.378 1451 C HN 0.424 nan 8.230 nan 0.000 0.771 1452 D N 0.595 121.114 120.400 0.198 0.000 3.360 1452 D HA -0.137 4.503 4.640 0.001 0.000 0.192 1452 D C 1.349 177.763 176.300 0.190 0.000 1.037 1452 D CA 1.114 55.209 54.000 0.159 0.000 0.720 1452 D CB 0.307 41.178 40.800 0.119 0.000 1.140 1452 D HN 0.643 nan 8.370 nan 0.000 0.529 1453 R N 2.228 122.793 120.500 0.107 0.000 2.140 1453 R HA -0.230 4.111 4.340 0.001 0.000 0.250 1453 R C 1.777 178.123 176.300 0.076 0.000 1.150 1453 R CA 2.260 58.401 56.100 0.069 0.000 0.966 1453 R CB -0.021 30.306 30.300 0.046 0.000 0.869 1453 R HN 0.650 nan 8.270 nan 0.000 0.445 1454 D N -0.522 119.947 120.400 0.116 0.000 2.144 1454 D HA -0.218 4.422 4.640 0.001 0.000 0.200 1454 D C 1.903 178.316 176.300 0.190 0.000 0.978 1454 D CA 0.948 55.021 54.000 0.123 0.000 0.833 1454 D CB -0.640 40.238 40.800 0.131 0.000 0.961 1454 D HN 0.293 nan 8.370 nan 0.000 0.470 1455 F N 2.206 122.215 119.950 0.097 0.000 2.069 1455 F HA -0.111 4.416 4.527 0.001 0.000 0.298 1455 F C 2.182 178.019 175.800 0.061 0.000 1.113 1455 F CA 1.121 59.188 58.000 0.110 0.000 1.214 1455 F CB -0.682 38.345 39.000 0.044 0.000 0.978 1455 F HN -0.132 nan 8.300 nan 0.000 0.474 1456 L N -0.001 121.019 121.223 -0.339 0.000 2.093 1456 L HA -0.196 4.145 4.340 0.001 0.000 0.208 1456 L C 2.296 179.030 176.870 -0.226 0.000 1.085 1456 L CA 1.377 55.944 54.840 -0.455 0.000 0.755 1456 L CB -0.884 41.025 42.059 -0.250 0.000 0.904 1456 L HN 0.195 nan 8.230 nan 0.000 0.435 1457 Q N -0.607 119.134 119.800 -0.098 0.000 2.515 1457 Q HA -0.020 4.321 4.340 0.001 0.000 0.214 1457 Q C -0.096 175.881 176.000 -0.038 0.000 0.971 1457 Q CA 0.370 56.140 55.803 -0.055 0.000 0.952 1457 Q CB 0.040 28.766 28.738 -0.020 0.000 0.999 1457 Q HN 0.325 nan 8.270 nan 0.000 0.524 1458 T N 1.363 115.892 114.554 -0.042 0.000 3.336 1458 T HA 0.164 4.515 4.350 0.001 0.000 0.384 1458 T C -2.079 172.609 174.700 -0.020 0.000 1.704 1458 T CA -1.426 60.674 62.100 -0.001 0.000 1.334 1458 T CB 1.044 69.959 68.868 0.079 0.000 1.131 1458 T HN 0.009 nan 8.240 nan 0.000 0.684 1459 P HA -0.230 nan 4.420 nan 0.000 0.218 1459 P C 1.861 179.168 177.300 0.011 0.000 1.152 1459 P CA 1.231 64.316 63.100 -0.026 0.000 0.857 1459 P CB 0.089 31.779 31.700 -0.017 0.000 0.787 1460 S N -1.175 114.546 115.700 0.035 0.000 2.402 1460 S HA -0.131 4.339 4.470 0.001 0.000 0.229 1460 S C 1.967 176.639 174.600 0.120 0.000 1.021 1460 S CA 1.461 59.700 58.200 0.065 0.000 0.974 1460 S CB -1.842 61.389 63.200 0.052 0.000 0.800 1460 S HN 0.173 nan 8.310 nan 0.000 0.484 1461 V N 0.128 120.131 119.914 0.147 0.000 2.346 1461 V HA 0.023 4.144 4.120 0.001 0.000 0.244 1461 V C 2.304 178.557 176.094 0.266 0.000 1.037 1461 V CA 1.237 63.697 62.300 0.265 0.000 1.029 1461 V CB -1.342 30.708 31.823 0.378 0.000 0.663 1461 V HN 0.360 nan 8.190 nan 0.000 0.454 1462 V N 0.872 120.857 119.914 0.119 0.000 2.453 1462 V HA -0.284 3.836 4.120 0.001 0.000 0.252 1462 V C 2.766 178.884 176.094 0.039 0.000 1.068 1462 V CA 2.624 64.934 62.300 0.016 0.000 1.070 1462 V CB -0.883 30.845 31.823 -0.158 0.000 0.664 1462 V HN 0.749 nan 8.190 nan 0.000 0.461 1463 E N -0.319 119.923 120.200 0.070 0.000 2.028 1463 E HA -0.219 4.132 4.350 0.001 0.000 0.190 1463 E C 2.167 178.833 176.600 0.110 0.000 0.984 1463 E CA 1.329 57.770 56.400 0.069 0.000 0.800 1463 E CB -0.190 29.557 29.700 0.077 0.000 0.758 1463 E HN 0.516 nan 8.360 nan 0.000 0.448 1464 F N 1.927 121.890 119.950 0.022 0.000 2.065 1464 F HA -0.211 4.316 4.527 0.001 0.000 0.298 1464 F C 1.985 177.804 175.800 0.032 0.000 1.112 1464 F CA 1.488 59.492 58.000 0.006 0.000 1.212 1464 F CB -0.409 38.575 39.000 -0.027 0.000 0.975 1464 F HN 0.016 nan 8.300 nan 0.000 0.476 1465 L N -0.513 120.677 121.223 -0.056 0.000 2.450 1465 L HA -0.171 4.169 4.340 0.001 0.000 0.224 1465 L C 1.849 178.733 176.870 0.023 0.000 1.149 1465 L CA 1.176 55.999 54.840 -0.028 0.000 0.816 1465 L CB -0.708 41.513 42.059 0.271 0.000 0.932 1465 L HN 0.161 nan 8.230 nan 0.000 0.449 1466 S N -1.691 113.978 115.700 -0.052 0.000 2.524 1466 S HA 0.100 4.571 4.470 0.001 0.000 0.215 1466 S C 0.600 175.173 174.600 -0.045 0.000 0.986 1466 S CA -0.290 57.869 58.200 -0.068 0.000 0.911 1466 S CB 0.260 63.410 63.200 -0.083 0.000 0.805 1466 S HN 0.270 nan 8.310 nan 0.000 0.501 1467 K N 1.718 122.075 120.400 -0.071 0.000 2.518 1467 K HA 0.119 4.440 4.320 0.001 0.000 0.276 1467 K C 0.932 177.528 176.600 -0.008 0.000 0.974 1467 K CA -0.054 56.212 56.287 -0.035 0.000 0.986 1467 K CB 0.319 32.787 32.500 -0.053 0.000 0.901 1467 K HN 0.057 nan 8.250 nan 0.000 0.497 1468 S N 2.367 118.079 115.700 0.019 0.000 2.349 1468 S HA -0.188 4.283 4.470 0.001 0.000 0.216 1468 S C 1.600 176.231 174.600 0.051 0.000 1.033 1468 S CA 1.715 59.936 58.200 0.034 0.000 1.021 1468 S CB -0.247 62.975 63.200 0.037 0.000 0.968 1468 S HN 0.792 nan 8.310 nan 0.000 0.426 1469 E N 0.803 121.038 120.200 0.059 0.000 2.333 1469 E HA -0.152 4.199 4.350 0.001 0.000 0.200 1469 E C 1.566 178.231 176.600 0.110 0.000 1.010 1469 E CA 0.853 57.301 56.400 0.081 0.000 0.841 1469 E CB -0.293 29.455 29.700 0.080 0.000 0.757 1469 E HN 0.370 nan 8.360 nan 0.000 0.508 1470 I N 1.196 121.811 120.570 0.076 0.000 2.296 1470 I HA -0.102 4.069 4.170 0.001 0.000 0.242 1470 I C 2.502 178.721 176.117 0.170 0.000 1.087 1470 I CA 0.746 62.109 61.300 0.106 0.000 1.393 1470 I CB -0.566 37.315 38.000 -0.198 0.000 1.093 1470 I HN 0.171 nan 8.210 nan 0.000 0.421 1471 I N 0.672 121.298 120.570 0.094 0.000 2.315 1471 I HA -0.194 3.976 4.170 0.001 0.000 0.248 1471 I C 0.587 176.742 176.117 0.064 0.000 1.117 1471 I CA 0.712 62.081 61.300 0.115 0.000 1.404 1471 I CB -0.173 37.919 38.000 0.153 0.000 1.071 1471 I HN 0.195 nan 8.210 nan 0.000 0.419 1472 E N 1.670 121.919 120.200 0.081 0.000 2.220 1472 E HA 0.152 4.503 4.350 0.001 0.000 0.272 1472 E C -0.743 175.914 176.600 0.095 0.000 1.099 1472 E CA -0.215 56.228 56.400 0.071 0.000 0.907 1472 E CB 1.007 30.749 29.700 0.070 0.000 1.022 1472 E HN 0.025 nan 8.360 nan 0.000 0.428 1473 V N 3.868 123.811 119.914 0.049 0.000 2.350 1473 V HA 0.067 4.188 4.120 0.001 0.000 0.276 1473 V C 0.549 176.683 176.094 0.066 0.000 1.028 1473 V CA -0.682 61.655 62.300 0.061 0.000 0.860 1473 V CB 1.000 32.792 31.823 -0.051 0.000 0.990 1473 V HN 0.740 nan 8.190 nan 0.000 0.453 1474 S N 4.313 120.069 115.700 0.094 0.000 2.580 1474 S HA 0.190 4.661 4.470 0.001 0.000 0.266 1474 S C 1.261 175.899 174.600 0.064 0.000 1.354 1474 S CA -0.401 57.844 58.200 0.075 0.000 1.008 1474 S CB 1.308 64.559 63.200 0.084 0.000 0.898 1474 S HN 0.371 nan 8.310 nan 0.000 0.555 1475 V N 2.102 122.045 119.914 0.050 0.000 2.287 1475 V HA -0.221 3.899 4.120 0.001 0.000 0.248 1475 V C 2.531 178.650 176.094 0.041 0.000 1.053 1475 V CA 2.173 64.496 62.300 0.039 0.000 1.027 1475 V CB -1.276 30.566 31.823 0.031 0.000 0.646 1475 V HN 0.822 nan 8.190 nan 0.000 0.447 1476 N N 0.482 119.211 118.700 0.047 0.000 2.025 1476 N HA -0.156 4.585 4.740 0.001 0.000 0.194 1476 N C 1.917 177.457 175.510 0.050 0.000 1.044 1476 N CA 1.652 54.728 53.050 0.043 0.000 0.851 1476 N CB -0.524 37.995 38.487 0.053 0.000 1.036 1476 N HN 0.380 nan 8.380 nan 0.000 0.422 1477 L N 1.162 122.448 121.223 0.104 0.000 2.013 1477 L HA -0.188 4.152 4.340 0.001 0.000 0.212 1477 L C 2.542 179.546 176.870 0.223 0.000 1.073 1477 L CA 1.381 56.344 54.840 0.204 0.000 0.753 1477 L CB -0.636 41.588 42.059 0.274 0.000 0.890 1477 L HN 0.155 nan 8.230 nan 0.000 0.432 1478 A N -0.357 122.532 122.820 0.115 0.000 2.024 1478 A HA -0.201 4.120 4.320 0.001 0.000 0.220 1478 A C 2.383 180.002 177.584 0.058 0.000 1.164 1478 A CA 1.450 53.531 52.037 0.072 0.000 0.643 1478 A CB -0.421 18.596 19.000 0.029 0.000 0.806 1478 A HN 0.358 nan 8.150 nan 0.000 0.451 1479 R N -0.498 120.015 120.500 0.021 0.000 2.055 1479 R HA -0.050 4.290 4.340 0.001 0.000 0.226 1479 R C 1.977 178.213 176.300 -0.107 0.000 1.135 1479 R CA 1.378 57.461 56.100 -0.029 0.000 0.959 1479 R CB -0.602 29.682 30.300 -0.027 0.000 0.854 1479 R HN 0.700 nan 8.270 nan 0.000 0.431 1480 N N 0.022 118.593 118.700 -0.215 0.000 2.094 1480 N HA -0.220 4.521 4.740 0.001 0.000 0.191 1480 N C 1.374 176.458 175.510 -0.711 0.000 1.023 1480 N CA 1.465 54.128 53.050 -0.644 0.000 0.857 1480 N CB -0.191 37.628 38.487 -1.113 0.000 1.013 1480 N HN 0.244 nan 8.380 nan 0.000 0.426 1481 Y N 0.757 120.845 120.300 -0.353 0.000 2.544 1481 Y HA 0.198 4.749 4.550 0.001 0.000 0.286 1481 Y C 2.263 178.202 175.900 0.065 0.000 1.141 1481 Y CA 0.118 58.198 58.100 -0.032 0.000 1.299 1481 Y CB -0.264 38.188 38.460 -0.013 0.000 1.030 1481 Y HN 0.061 nan 8.280 nan 0.000 0.543 1482 A N 1.155 124.018 122.820 0.071 0.000 1.903 1482 A HA -0.233 4.087 4.320 0.001 0.000 0.219 1482 A C -0.008 177.540 177.584 -0.061 0.000 1.191 1482 A CA 2.021 54.063 52.037 0.007 0.000 0.638 1482 A CB -1.814 17.164 19.000 -0.036 0.000 0.823 1482 A HN 0.283 nan 8.150 nan 0.000 0.451 1483 P HA -0.183 nan 4.420 nan 0.000 0.215 1483 P C 0.628 177.713 177.300 -0.358 0.000 1.163 1483 P CA 1.572 64.424 63.100 -0.413 0.000 0.894 1483 P CB -0.256 30.972 31.700 -0.787 0.000 0.791 1484 Y N -1.817 118.493 120.300 0.017 0.000 2.490 1484 Y HA 0.269 4.819 4.550 0.001 0.000 0.281 1484 Y C 1.361 177.286 175.900 0.042 0.000 1.174 1484 Y CA -0.388 57.735 58.100 0.039 0.000 1.295 1484 Y CB -1.110 37.396 38.460 0.077 0.000 1.062 1484 Y HN -0.151 nan 8.280 nan 0.000 0.522 1485 S N 0.528 116.321 115.700 0.155 0.000 2.579 1485 S HA 0.340 4.811 4.470 0.001 0.000 0.275 1485 S C 0.260 174.867 174.600 0.012 0.000 1.345 1485 S CA -0.163 58.097 58.200 0.099 0.000 1.031 1485 S CB 0.562 63.802 63.200 0.068 0.000 0.892 1485 S HN 0.271 nan 8.310 nan 0.000 0.529 1486 T N 2.739 117.282 114.554 -0.018 0.000 2.930 1486 T HA 0.353 4.704 4.350 0.001 0.000 0.290 1486 T C 0.600 175.184 174.700 -0.193 0.000 1.052 1486 T CA -0.728 61.249 62.100 -0.206 0.000 1.017 1486 T CB 1.684 70.324 68.868 -0.381 0.000 1.137 1486 T HN 0.766 nan 8.240 nan 0.000 0.511 1487 D N -0.802 119.407 120.400 -0.319 0.000 2.566 1487 D HA 0.022 4.662 4.640 0.001 0.000 0.253 1487 D C 0.468 176.789 176.300 0.035 0.000 0.992 1487 D CA 0.435 54.369 54.000 -0.109 0.000 0.940 1487 D CB 0.279 41.029 40.800 -0.083 0.000 1.095 1487 D HN 0.801 nan 8.370 nan 0.000 0.480 1488 W N 1.044 122.340 121.300 -0.007 0.000 1.133 1488 W HA -0.211 4.450 4.660 0.001 0.000 0.228 1488 W C 0.015 176.533 176.519 -0.002 0.000 0.949 1488 W CA 0.400 57.731 57.345 -0.023 0.000 0.374 1488 W CB -1.554 27.902 29.460 -0.006 0.000 1.948 1488 W HN 0.045 nan 8.180 nan 0.000 1.281 1489 E N 0.883 121.198 120.200 0.193 0.000 2.383 1489 E HA 0.296 4.646 4.350 0.001 0.000 0.257 1489 E C 1.195 177.828 176.600 0.055 0.000 1.079 1489 E CA 1.074 57.539 56.400 0.108 0.000 0.934 1489 E CB 0.004 29.747 29.700 0.072 0.000 0.978 1489 E HN 0.373 nan 8.360 nan 0.000 0.462 1490 G N 2.262 111.088 108.800 0.043 0.000 2.345 1490 G HA2 -0.302 3.658 3.960 0.001 0.000 0.218 1490 G HA3 -0.302 3.658 3.960 0.001 0.000 0.218 1490 G C 0.427 175.352 174.900 0.042 0.000 1.058 1490 G CA -0.121 44.991 45.100 0.019 0.000 0.632 1490 G HN 0.476 nan 8.290 nan 0.000 0.508 1491 V N 2.096 122.059 119.914 0.080 0.000 2.539 1491 V HA 0.167 4.287 4.120 0.001 0.000 0.300 1491 V C 1.539 177.711 176.094 0.129 0.000 1.019 1491 V CA 1.235 63.601 62.300 0.110 0.000 1.160 1491 V CB 0.822 32.757 31.823 0.188 0.000 0.901 1491 V HN 0.479 nan 8.190 nan 0.000 0.481 1492 R N 3.867 124.421 120.500 0.090 0.000 2.466 1492 R HA 0.251 4.591 4.340 0.001 0.000 0.279 1492 R C 0.006 176.359 176.300 0.089 0.000 0.976 1492 R CA -0.098 56.047 56.100 0.077 0.000 1.081 1492 R CB -0.020 30.307 30.300 0.044 0.000 1.215 1492 R HN 0.967 nan 8.270 nan 0.000 0.546 1493 N N -1.191 117.586 118.700 0.128 0.000 4.451 1493 N HA -0.109 4.631 4.740 0.001 0.000 0.195 1493 N C -0.117 175.513 175.510 0.200 0.000 1.087 1493 N CA -0.602 52.526 53.050 0.131 0.000 1.025 1493 N CB 0.399 38.940 38.487 0.089 0.000 1.603 1493 N HN -0.186 nan 8.380 nan 0.000 0.631 1494 L N 1.504 122.852 121.223 0.208 0.000 1.997 1494 L HA -0.158 4.183 4.340 0.001 0.000 0.216 1494 L C 1.657 178.651 176.870 0.207 0.000 1.074 1494 L CA 2.498 57.513 54.840 0.292 0.000 0.763 1494 L CB -1.082 41.106 42.059 0.216 0.000 0.890 1494 L HN 0.936 nan 8.230 nan 0.000 0.434 1495 E N -1.527 118.751 120.200 0.130 0.000 2.330 1495 E HA -0.042 4.309 4.350 0.001 0.000 0.210 1495 E C 0.131 176.765 176.600 0.057 0.000 1.256 1495 E CA 0.418 56.867 56.400 0.082 0.000 1.346 1495 E CB -0.184 29.555 29.700 0.065 0.000 1.308 1495 E HN 0.450 nan 8.360 nan 0.000 0.441 1496 D N -1.057 119.376 120.400 0.055 0.000 2.475 1496 D HA 0.185 4.826 4.640 0.001 0.000 0.306 1496 D C 1.228 177.518 176.300 -0.016 0.000 1.304 1496 D CA 0.572 54.585 54.000 0.023 0.000 0.862 1496 D CB 0.277 41.098 40.800 0.035 0.000 1.306 1496 D HN 0.186 nan 8.370 nan 0.000 0.494 1497 A N 1.330 124.121 122.820 -0.048 0.000 1.824 1497 A HA 0.077 4.398 4.320 0.001 0.000 0.215 1497 A C 1.276 178.761 177.584 -0.164 0.000 1.244 1497 A CA 2.106 54.029 52.037 -0.190 0.000 0.604 1497 A CB -0.193 18.516 19.000 -0.484 0.000 0.900 1497 A HN 0.184 nan 8.150 nan 0.000 0.455 1498 K N -2.745 117.563 120.400 -0.153 0.000 3.609 1498 K HA -0.104 4.217 4.320 0.001 0.000 0.277 1498 K C -2.172 174.357 176.600 -0.119 0.000 1.196 1498 K CA 0.876 57.100 56.287 -0.104 0.000 1.022 1498 K CB -2.441 30.019 32.500 -0.067 0.000 1.292 1498 K HN 0.565 nan 8.250 nan 0.000 0.484 1499 P HA 0.125 nan 4.420 nan 0.000 0.280 1499 P C -2.140 175.082 177.300 -0.131 0.000 1.386 1499 P CA -1.056 61.956 63.100 -0.148 0.000 0.899 1499 P CB 1.216 32.810 31.700 -0.177 0.000 1.098 1500 P HA -0.059 nan 4.420 nan 0.000 0.216 1500 P C 0.530 177.813 177.300 -0.028 0.000 1.154 1500 P CA 0.962 64.040 63.100 -0.036 0.000 0.857 1500 P CB 0.375 32.068 31.700 -0.013 0.000 0.787 1501 E N -0.841 119.331 120.200 -0.046 0.000 4.067 1501 E HA -0.208 4.143 4.350 0.001 0.000 0.346 1501 E C 0.501 177.057 176.600 -0.074 0.000 0.613 1501 E CA 1.629 57.992 56.400 -0.063 0.000 1.252 1501 E CB -1.348 28.308 29.700 -0.073 0.000 1.731 1501 E HN 0.489 nan 8.360 nan 0.000 0.406 1502 K N -0.833 119.548 120.400 -0.031 0.000 4.234 1502 K HA 0.181 4.502 4.320 0.001 0.000 0.555 1502 K C -1.963 174.694 176.600 0.095 0.000 0.929 1502 K CA -0.043 56.233 56.287 -0.018 0.000 0.851 1502 K CB 0.333 32.728 32.500 -0.175 0.000 1.633 1502 K HN -0.021 nan 8.250 nan 0.000 0.709 1503 D N 0.642 121.169 120.400 0.212 0.000 2.498 1503 D HA 0.412 5.052 4.640 0.001 0.000 0.247 1503 D C -1.969 174.503 176.300 0.286 0.000 1.070 1503 D CA -2.184 51.942 54.000 0.209 0.000 0.842 1503 D CB 2.161 43.039 40.800 0.130 0.000 1.361 1503 D HN 0.111 nan 8.370 nan 0.000 0.484 1504 P HA 0.002 nan 4.420 nan 0.000 0.218 1504 P C 0.487 177.785 177.300 -0.003 0.000 1.151 1504 P CA 0.576 63.713 63.100 0.060 0.000 0.850 1504 P CB 0.413 32.167 31.700 0.091 0.000 0.801 1505 N N 0.746 119.462 118.700 0.027 0.000 2.334 1505 N HA -0.143 4.598 4.740 0.001 0.000 0.187 1505 N C 1.241 176.742 175.510 -0.014 0.000 1.016 1505 N CA 1.301 54.356 53.050 0.009 0.000 0.879 1505 N CB -0.800 37.700 38.487 0.022 0.000 0.965 1505 N HN 0.198 nan 8.380 nan 0.000 0.438 1506 D N -0.170 120.223 120.400 -0.013 0.000 2.348 1506 D HA -0.043 4.598 4.640 0.001 0.000 0.216 1506 D C 0.130 176.369 176.300 -0.103 0.000 0.970 1506 D CA 0.490 54.471 54.000 -0.031 0.000 0.889 1506 D CB 0.146 40.962 40.800 0.027 0.000 0.912 1506 D HN 0.171 nan 8.370 nan 0.000 0.524 1507 L N 1.417 122.553 121.223 -0.145 0.000 2.350 1507 L HA 0.199 4.540 4.340 0.001 0.000 0.275 1507 L C 0.912 177.716 176.870 -0.109 0.000 1.099 1507 L CA -0.110 54.621 54.840 -0.181 0.000 0.808 1507 L CB 0.912 42.850 42.059 -0.203 0.000 1.149 1507 L HN -0.119 nan 8.230 nan 0.000 0.442 1508 Q N 1.318 121.048 119.800 -0.118 0.000 2.432 1508 Q HA 0.003 4.344 4.340 0.001 0.000 0.264 1508 Q C 1.148 177.111 176.000 -0.062 0.000 1.035 1508 Q CA 0.126 55.878 55.803 -0.086 0.000 0.908 1508 Q CB 1.133 29.811 28.738 -0.100 0.000 1.280 1508 Q HN 0.389 nan 8.270 nan 0.000 0.455 1509 R N 1.379 121.856 120.500 -0.039 0.000 2.113 1509 R HA -0.293 4.047 4.340 0.001 0.000 0.244 1509 R C 1.918 178.195 176.300 -0.039 0.000 1.142 1509 R CA 1.951 58.041 56.100 -0.017 0.000 0.953 1509 R CB -0.416 29.890 30.300 0.009 0.000 0.860 1509 R HN 0.810 nan 8.270 nan 0.000 0.438 1510 A N 0.837 123.606 122.820 -0.085 0.000 1.908 1510 A HA -0.227 4.093 4.320 0.001 0.000 0.218 1510 A C 1.612 178.974 177.584 -0.369 0.000 1.181 1510 A CA 2.210 54.093 52.037 -0.258 0.000 0.627 1510 A CB -0.607 18.232 19.000 -0.269 0.000 0.818 1510 A HN 0.502 nan 8.150 nan 0.000 0.445 1511 D N -0.737 119.564 120.400 -0.165 0.000 2.183 1511 D HA -0.082 4.558 4.640 0.001 0.000 0.203 1511 D C 2.180 178.531 176.300 0.085 0.000 0.969 1511 D CA 1.104 55.120 54.000 0.026 0.000 0.842 1511 D CB -0.253 40.630 40.800 0.139 0.000 0.957 1511 D HN 0.580 nan 8.370 nan 0.000 0.484 1512 Q N -0.263 119.546 119.800 0.014 0.000 2.135 1512 Q HA -0.139 4.202 4.340 0.001 0.000 0.204 1512 Q C 1.713 177.726 176.000 0.021 0.000 0.981 1512 Q CA 0.768 56.587 55.803 0.026 0.000 0.856 1512 Q CB 0.024 28.767 28.738 0.009 0.000 0.902 1512 Q HN 0.316 nan 8.270 nan 0.000 0.425 1513 I N -0.649 119.925 120.570 0.006 0.000 2.141 1513 I HA -0.246 3.925 4.170 0.001 0.000 0.236 1513 I C 2.057 178.178 176.117 0.007 0.000 1.071 1513 I CA 1.111 62.432 61.300 0.034 0.000 1.345 1513 I CB -0.816 37.289 38.000 0.177 0.000 1.066 1513 I HN 0.128 nan 8.210 nan 0.000 0.406 1514 Y N 0.807 120.996 120.300 -0.186 0.000 2.096 1514 Y HA -0.361 4.190 4.550 0.001 0.000 0.276 1514 Y C 2.443 178.157 175.900 -0.310 0.000 1.209 1514 Y CA 2.023 59.978 58.100 -0.242 0.000 1.137 1514 Y CB -0.726 37.502 38.460 -0.387 0.000 0.956 1514 Y HN 0.161 nan 8.280 nan 0.000 0.506 1515 L N 0.199 121.335 121.223 -0.145 0.000 1.932 1515 L HA -0.292 4.049 4.340 0.001 0.000 0.217 1515 L C 2.473 179.256 176.870 -0.145 0.000 1.077 1515 L CA 2.249 56.998 54.840 -0.152 0.000 0.765 1515 L CB -1.164 40.945 42.059 0.084 0.000 0.888 1515 L HN 0.226 nan 8.230 nan 0.000 0.433 1516 Q N -0.684 119.082 119.800 -0.058 0.000 2.242 1516 Q HA -0.235 4.106 4.340 0.001 0.000 0.211 1516 Q C 1.976 177.863 176.000 -0.190 0.000 0.992 1516 Q CA 2.341 58.126 55.803 -0.031 0.000 0.889 1516 Q CB -0.259 28.464 28.738 -0.024 0.000 0.913 1516 Q HN 0.591 nan 8.270 nan 0.000 0.422 1517 L N -2.166 118.807 121.223 -0.416 0.000 2.924 1517 L HA 0.033 4.373 4.340 0.001 0.000 0.172 1517 L C 1.950 178.211 176.870 -1.016 0.000 1.292 1517 L CA -0.115 54.231 54.840 -0.824 0.000 0.870 1517 L CB -0.506 40.863 42.059 -1.151 0.000 1.305 1517 L HN 0.041 nan 8.230 nan 0.000 0.535 1518 M N -0.025 118.887 119.600 -1.147 0.000 2.337 1518 M HA -0.146 4.334 4.480 0.001 0.000 0.261 1518 M C 1.731 177.597 176.300 -0.724 0.000 1.067 1518 M CA 1.485 56.151 55.300 -1.056 0.000 1.074 1518 M CB -0.640 31.265 32.600 -1.158 0.000 1.395 1518 M HN 0.096 nan 8.290 nan 0.000 0.431 1519 V N -1.099 118.445 119.914 -0.617 0.000 2.602 1519 V HA -0.006 4.114 4.120 0.001 0.000 0.235 1519 V C 1.644 177.641 176.094 -0.161 0.000 1.087 1519 V CA 0.912 62.988 62.300 -0.375 0.000 1.117 1519 V CB -0.552 31.045 31.823 -0.377 0.000 0.820 1519 V HN 0.250 nan 8.190 nan 0.000 0.490 1520 N N 0.626 119.272 118.700 -0.089 0.000 2.443 1520 N HA -0.059 4.681 4.740 0.001 0.000 0.184 1520 N C 1.205 176.806 175.510 0.153 0.000 1.037 1520 N CA 1.188 54.303 53.050 0.109 0.000 0.896 1520 N CB -0.171 38.478 38.487 0.270 0.000 0.959 1520 N HN 0.433 nan 8.380 nan 0.000 0.442 1521 L N -0.567 120.642 121.223 -0.023 0.000 2.858 1521 L HA 0.233 4.574 4.340 0.001 0.000 0.251 1521 L C 1.692 178.537 176.870 -0.042 0.000 1.149 1521 L CA -0.079 54.756 54.840 -0.007 0.000 0.955 1521 L CB 0.116 42.054 42.059 -0.201 0.000 1.289 1521 L HN 0.043 nan 8.230 nan 0.000 0.542 1522 E N 1.509 121.680 120.200 -0.049 0.000 2.236 1522 E HA -0.333 4.017 4.350 0.001 0.000 0.205 1522 E C 2.042 178.697 176.600 0.093 0.000 1.028 1522 E CA 1.886 58.283 56.400 -0.007 0.000 0.827 1522 E CB 0.126 29.802 29.700 -0.040 0.000 0.735 1522 E HN 0.557 nan 8.360 nan 0.000 0.470 1523 S N -0.866 114.937 115.700 0.173 0.000 2.493 1523 S HA -0.205 4.265 4.470 0.001 0.000 0.243 1523 S C 1.212 176.034 174.600 0.371 0.000 0.991 1523 S CA 1.239 59.589 58.200 0.250 0.000 0.957 1523 S CB -0.401 62.972 63.200 0.289 0.000 0.756 1523 S HN 0.672 nan 8.310 nan 0.000 0.521 1524 Y N -4.346 116.057 120.300 0.172 0.000 3.091 1524 Y HA 0.343 4.894 4.550 0.001 0.000 0.284 1524 Y C 0.880 176.867 175.900 0.145 0.000 1.048 1524 Y CA -1.500 56.696 58.100 0.160 0.000 1.290 1524 Y CB -0.951 37.647 38.460 0.230 0.000 1.331 1524 Y HN 0.143 nan 8.280 nan 0.000 0.597 1525 W N 2.432 123.466 121.300 -0.444 0.000 2.329 1525 W HA -0.107 4.553 4.660 0.001 0.000 0.324 1525 W C 1.985 178.370 176.519 -0.224 0.000 1.222 1525 W CA 2.819 59.897 57.345 -0.446 0.000 1.270 1525 W CB -0.626 28.631 29.460 -0.338 0.000 1.167 1525 W HN 0.381 nan 8.180 nan 0.000 0.467 1526 G N 0.938 109.666 108.800 -0.121 0.000 2.631 1526 G HA2 -0.457 3.504 3.960 0.001 0.000 0.219 1526 G HA3 -0.457 3.504 3.960 0.001 0.000 0.219 1526 G C 1.615 176.390 174.900 -0.208 0.000 1.214 1526 G CA 2.798 47.790 45.100 -0.180 0.000 0.785 1526 G HN 0.434 nan 8.290 nan 0.000 0.596 1527 S N 0.694 116.343 115.700 -0.086 0.000 2.392 1527 S HA -0.261 4.210 4.470 0.001 0.000 0.232 1527 S C 2.201 176.733 174.600 -0.112 0.000 1.041 1527 S CA 1.777 59.950 58.200 -0.045 0.000 1.026 1527 S CB -0.462 62.782 63.200 0.072 0.000 0.845 1527 S HN 0.585 nan 8.310 nan 0.000 0.465 1528 R N 0.439 120.822 120.500 -0.196 0.000 2.073 1528 R HA -0.047 4.293 4.340 0.001 0.000 0.234 1528 R C 2.393 178.448 176.300 -0.408 0.000 1.134 1528 R CA 1.716 57.634 56.100 -0.303 0.000 0.952 1528 R CB -0.303 29.710 30.300 -0.479 0.000 0.850 1528 R HN 0.337 nan 8.270 nan 0.000 0.433 1529 M N 0.565 119.812 119.600 -0.589 0.000 2.059 1529 M HA -0.120 4.360 4.480 0.001 0.000 0.259 1529 M C 2.292 178.428 176.300 -0.273 0.000 1.072 1529 M CA 1.664 56.671 55.300 -0.488 0.000 1.117 1529 M CB -1.107 31.150 32.600 -0.572 0.000 1.320 1529 M HN 0.185 nan 8.290 nan 0.000 0.408 1530 R N -0.111 120.257 120.500 -0.221 0.000 2.140 1530 R HA -0.210 4.130 4.340 0.001 0.000 0.250 1530 R C 2.237 178.461 176.300 -0.126 0.000 1.150 1530 R CA 1.902 57.919 56.100 -0.139 0.000 0.966 1530 R CB -0.664 29.573 30.300 -0.105 0.000 0.869 1530 R HN 0.468 nan 8.270 nan 0.000 0.445 1531 A N 0.967 123.705 122.820 -0.136 0.000 1.845 1531 A HA -0.150 4.170 4.320 0.001 0.000 0.215 1531 A C 2.200 179.715 177.584 -0.114 0.000 1.195 1531 A CA 1.268 53.237 52.037 -0.113 0.000 0.616 1531 A CB -0.609 18.329 19.000 -0.104 0.000 0.832 1531 A HN 0.206 nan 8.150 nan 0.000 0.443 1532 L N 0.011 121.148 121.223 -0.144 0.000 2.046 1532 L HA -0.168 4.172 4.340 0.001 0.000 0.208 1532 L C 3.021 179.819 176.870 -0.120 0.000 1.077 1532 L CA 1.797 56.555 54.840 -0.136 0.000 0.747 1532 L CB -1.058 40.896 42.059 -0.175 0.000 0.896 1532 L HN 0.683 nan 8.230 nan 0.000 0.432 1533 T N -3.039 111.441 114.554 -0.123 0.000 2.759 1533 T HA -0.162 4.188 4.350 0.001 0.000 0.269 1533 T C 1.793 176.471 174.700 -0.037 0.000 1.042 1533 T CA 1.390 63.438 62.100 -0.086 0.000 1.140 1533 T CB -0.738 68.083 68.868 -0.078 0.000 0.864 1533 T HN 0.096 nan 8.240 nan 0.000 0.455 1534 V N 1.651 121.541 119.914 -0.040 0.000 2.283 1534 V HA -0.126 3.995 4.120 0.001 0.000 0.243 1534 V C 3.000 179.153 176.094 0.099 0.000 1.039 1534 V CA 1.606 63.904 62.300 -0.003 0.000 1.016 1534 V CB -0.598 31.178 31.823 -0.079 0.000 0.650 1534 V HN 0.475 nan 8.190 nan 0.000 0.449 1535 V N 0.728 120.672 119.914 0.050 0.000 2.453 1535 V HA -0.229 3.892 4.120 0.001 0.000 0.252 1535 V C 2.289 178.484 176.094 0.169 0.000 1.068 1535 V CA 2.311 64.688 62.300 0.129 0.000 1.070 1535 V CB -1.611 30.224 31.823 0.021 0.000 0.664 1535 V HN 0.775 nan 8.190 nan 0.000 0.461 1536 T N -4.069 110.511 114.554 0.044 0.000 3.163 1536 T HA 0.212 4.563 4.350 0.001 0.000 0.252 1536 T C 1.181 175.870 174.700 -0.018 0.000 1.056 1536 T CA 0.733 62.822 62.100 -0.018 0.000 0.947 1536 T CB 0.380 69.195 68.868 -0.090 0.000 1.016 1536 T HN 0.418 nan 8.240 nan 0.000 0.554 1537 S N -0.239 115.485 115.700 0.041 0.000 2.918 1537 S HA 0.129 4.600 4.470 0.001 0.000 0.264 1537 S C 1.223 175.881 174.600 0.095 0.000 1.078 1537 S CA 0.011 58.237 58.200 0.044 0.000 0.918 1537 S CB -0.527 62.717 63.200 0.074 0.000 0.882 1537 S HN 0.626 nan 8.310 nan 0.000 0.466 1538 Y N 3.348 123.736 120.300 0.147 0.000 2.133 1538 Y HA -0.305 4.246 4.550 0.001 0.000 0.279 1538 Y C 1.975 178.074 175.900 0.333 0.000 1.209 1538 Y CA 2.199 60.496 58.100 0.327 0.000 1.152 1538 Y CB -0.852 37.676 38.460 0.114 0.000 0.961 1538 Y HN 0.272 nan 8.280 nan 0.000 0.512 1539 E N 1.298 120.992 120.200 -0.843 0.000 2.023 1539 E HA -0.269 4.081 4.350 0.001 0.000 0.196 1539 E C 2.375 178.906 176.600 -0.115 0.000 1.003 1539 E CA 2.506 58.560 56.400 -0.578 0.000 0.809 1539 E CB -0.339 28.990 29.700 -0.619 0.000 0.755 1539 E HN 0.733 nan 8.360 nan 0.000 0.449 1540 R N 0.062 120.507 120.500 -0.093 0.000 2.090 1540 R HA 0.042 4.382 4.340 0.001 0.000 0.228 1540 R C 2.351 178.642 176.300 -0.015 0.000 1.110 1540 R CA 1.414 57.491 56.100 -0.037 0.000 0.973 1540 R CB -0.483 29.791 30.300 -0.043 0.000 0.869 1540 R HN 0.158 nan 8.270 nan 0.000 0.440 1541 E N 0.273 120.496 120.200 0.038 0.000 2.070 1541 E HA -0.277 4.074 4.350 0.001 0.000 0.197 1541 E C 1.652 178.159 176.600 -0.156 0.000 1.004 1541 E CA 1.752 58.167 56.400 0.026 0.000 0.805 1541 E CB -0.260 29.592 29.700 0.253 0.000 0.744 1541 E HN 0.466 nan 8.360 nan 0.000 0.451 1542 Y N 1.824 121.938 120.300 -0.309 0.000 2.097 1542 Y HA -0.301 4.249 4.550 0.001 0.000 0.282 1542 Y C 1.914 177.670 175.900 -0.240 0.000 1.152 1542 Y CA 2.042 59.880 58.100 -0.435 0.000 1.136 1542 Y CB -0.336 38.005 38.460 -0.198 0.000 0.975 1542 Y HN 0.066 nan 8.280 nan 0.000 0.498 1543 N N 0.704 119.312 118.700 -0.153 0.000 2.043 1543 N HA -0.210 4.530 4.740 0.001 0.000 0.193 1543 N C 1.729 177.087 175.510 -0.254 0.000 1.037 1543 N CA 1.976 54.893 53.050 -0.222 0.000 0.851 1543 N CB -0.583 37.866 38.487 -0.063 0.000 1.027 1543 N HN 0.586 nan 8.380 nan 0.000 0.422 1544 E N 0.968 121.062 120.200 -0.177 0.000 2.048 1544 E HA -0.176 4.175 4.350 0.001 0.000 0.202 1544 E C 2.263 178.745 176.600 -0.196 0.000 1.021 1544 E CA 1.042 57.352 56.400 -0.150 0.000 0.825 1544 E CB -0.300 29.338 29.700 -0.103 0.000 0.756 1544 E HN 0.255 nan 8.360 nan 0.000 0.454 1545 L N 0.328 121.397 121.223 -0.256 0.000 2.013 1545 L HA -0.241 4.099 4.340 0.001 0.000 0.212 1545 L C 2.604 179.299 176.870 -0.293 0.000 1.073 1545 L CA 0.734 55.413 54.840 -0.267 0.000 0.753 1545 L CB -0.426 41.429 42.059 -0.340 0.000 0.890 1545 L HN 0.196 nan 8.230 nan 0.000 0.432 1546 L N -0.166 120.794 121.223 -0.438 0.000 2.131 1546 L HA -0.167 4.173 4.340 0.001 0.000 0.210 1546 L C 2.573 179.297 176.870 -0.244 0.000 1.092 1546 L CA 1.914 56.514 54.840 -0.400 0.000 0.759 1546 L CB -0.782 40.910 42.059 -0.612 0.000 0.903 1546 L HN 0.192 nan 8.230 nan 0.000 0.435 1547 A N -0.424 122.266 122.820 -0.216 0.000 1.845 1547 A HA -0.244 4.077 4.320 0.001 0.000 0.215 1547 A C 2.279 179.790 177.584 -0.121 0.000 1.195 1547 A CA 2.043 53.993 52.037 -0.144 0.000 0.616 1547 A CB -0.528 18.399 19.000 -0.122 0.000 0.832 1547 A HN 0.472 nan 8.150 nan 0.000 0.443 1548 K N -0.802 119.525 120.400 -0.121 0.000 2.020 1548 K HA -0.194 4.127 4.320 0.001 0.000 0.212 1548 K C 1.893 178.434 176.600 -0.098 0.000 1.050 1548 K CA 1.551 57.780 56.287 -0.098 0.000 0.929 1548 K CB -0.644 31.801 32.500 -0.091 0.000 0.714 1548 K HN 0.362 nan 8.250 nan 0.000 0.443 1549 L N 1.624 122.779 121.223 -0.115 0.000 2.189 1549 L HA -0.194 4.146 4.340 0.001 0.000 0.214 1549 L C 2.094 178.915 176.870 -0.082 0.000 1.097 1549 L CA 1.638 56.419 54.840 -0.099 0.000 0.764 1549 L CB -0.224 41.766 42.059 -0.115 0.000 0.900 1549 L HN 0.076 nan 8.230 nan 0.000 0.436 1550 R N -0.131 120.315 120.500 -0.091 0.000 2.093 1550 R HA -0.039 4.301 4.340 0.001 0.000 0.224 1550 R C 2.175 178.432 176.300 -0.073 0.000 1.101 1550 R CA 1.065 57.121 56.100 -0.074 0.000 0.979 1550 R CB -0.537 29.717 30.300 -0.077 0.000 0.877 1550 R HN 0.446 nan 8.270 nan 0.000 0.441 1551 K N 0.248 120.598 120.400 -0.084 0.000 2.032 1551 K HA -0.090 4.230 4.320 0.001 0.000 0.209 1551 K C 2.074 178.602 176.600 -0.119 0.000 1.048 1551 K CA 1.532 57.759 56.287 -0.100 0.000 0.927 1551 K CB -0.254 32.187 32.500 -0.099 0.000 0.712 1551 K HN -0.073 nan 8.250 nan 0.000 0.441 1552 V N 2.109 121.969 119.914 -0.090 0.000 2.343 1552 V HA -0.264 3.857 4.120 0.001 0.000 0.247 1552 V C 1.785 177.874 176.094 -0.008 0.000 1.051 1552 V CA 1.886 64.155 62.300 -0.053 0.000 1.036 1552 V CB -0.428 31.392 31.823 -0.005 0.000 0.654 1552 V HN 0.310 nan 8.190 nan 0.000 0.451 1553 D N -0.110 120.282 120.400 -0.012 0.000 2.144 1553 D HA -0.157 4.484 4.640 0.001 0.000 0.199 1553 D C 2.267 178.562 176.300 -0.008 0.000 0.984 1553 D CA 1.233 55.239 54.000 0.010 0.000 0.834 1553 D CB -0.093 40.704 40.800 -0.005 0.000 0.955 1553 D HN 0.456 nan 8.370 nan 0.000 0.465 1554 K N 0.634 121.005 120.400 -0.048 0.000 2.025 1554 K HA -0.038 4.282 4.320 0.001 0.000 0.207 1554 K C 2.188 178.737 176.600 -0.085 0.000 1.049 1554 K CA 1.031 57.282 56.287 -0.061 0.000 0.933 1554 K CB -0.050 32.405 32.500 -0.075 0.000 0.714 1554 K HN -0.012 nan 8.250 nan 0.000 0.438 1555 A N 1.133 123.857 122.820 -0.160 0.000 1.865 1555 A HA -0.159 4.162 4.320 0.001 0.000 0.217 1555 A C 2.389 179.931 177.584 -0.071 0.000 1.191 1555 A CA 1.692 53.569 52.037 -0.267 0.000 0.623 1555 A CB -0.922 17.629 19.000 -0.748 0.000 0.826 1555 A HN 0.070 nan 8.150 nan 0.000 0.444 1556 V N 0.214 120.185 119.914 0.095 0.000 2.282 1556 V HA -0.295 3.825 4.120 0.001 0.000 0.249 1556 V C 2.832 178.980 176.094 0.090 0.000 1.057 1556 V CA 2.501 64.933 62.300 0.221 0.000 1.032 1556 V CB -1.008 30.969 31.823 0.257 0.000 0.645 1556 V HN 0.595 nan 8.190 nan 0.000 0.447 1557 S N 0.099 115.822 115.700 0.039 0.000 2.351 1557 S HA -0.217 4.253 4.470 0.001 0.000 0.220 1557 S C 2.258 176.855 174.600 -0.006 0.000 1.035 1557 S CA 1.530 59.738 58.200 0.014 0.000 1.031 1557 S CB -0.721 62.479 63.200 0.000 0.000 0.928 1557 S HN 0.677 nan 8.310 nan 0.000 0.433 1558 A N 1.681 124.484 122.820 -0.028 0.000 1.869 1558 A HA -0.155 4.166 4.320 0.001 0.000 0.218 1558 A C 2.215 179.766 177.584 -0.056 0.000 1.203 1558 A CA 1.742 53.754 52.037 -0.042 0.000 0.638 1558 A CB -1.097 17.866 19.000 -0.062 0.000 0.831 1558 A HN 0.438 nan 8.150 nan 0.000 0.450 1559 L N -1.416 119.753 121.223 -0.090 0.000 2.012 1559 L HA -0.272 4.069 4.340 0.001 0.000 0.210 1559 L C 2.911 179.759 176.870 -0.037 0.000 1.073 1559 L CA 1.831 56.574 54.840 -0.161 0.000 0.748 1559 L CB -0.495 41.380 42.059 -0.306 0.000 0.891 1559 L HN 0.456 nan 8.230 nan 0.000 0.431 1560 Q N 0.886 120.693 119.800 0.010 0.000 2.077 1560 Q HA -0.237 4.104 4.340 0.001 0.000 0.206 1560 Q C 1.323 177.320 176.000 -0.005 0.000 0.989 1560 Q CA 1.983 57.802 55.803 0.027 0.000 0.853 1560 Q CB -0.072 28.683 28.738 0.028 0.000 0.907 1560 Q HN 0.670 nan 8.270 nan 0.000 0.418 1561 E N -1.354 118.837 120.200 -0.016 0.000 2.499 1561 E HA 0.201 4.551 4.350 0.001 0.000 0.207 1561 E C -0.513 176.067 176.600 -0.032 0.000 1.034 1561 E CA -0.062 56.323 56.400 -0.024 0.000 1.098 1561 E CB 0.363 30.053 29.700 -0.016 0.000 1.148 1561 E HN -0.065 nan 8.360 nan 0.000 0.447 1562 S N 1.476 117.149 115.700 -0.045 0.000 3.158 1562 S HA 0.057 4.527 4.470 0.001 0.000 0.215 1562 S C 0.539 175.078 174.600 -0.101 0.000 1.359 1562 S CA -0.595 57.574 58.200 -0.052 0.000 0.974 1562 S CB 0.198 63.368 63.200 -0.050 0.000 1.336 1562 S HN 0.196 nan 8.310 nan 0.000 0.488 1563 D N 3.030 123.373 120.400 -0.095 0.000 2.123 1563 D HA -0.134 4.507 4.640 0.001 0.000 0.196 1563 D C 1.491 177.652 176.300 -0.231 0.000 0.992 1563 D CA 1.022 54.934 54.000 -0.146 0.000 0.833 1563 D CB 0.028 40.769 40.800 -0.100 0.000 0.954 1563 D HN 0.517 nan 8.370 nan 0.000 0.455 1564 N N 0.989 119.591 118.700 -0.163 0.000 2.069 1564 N HA -0.148 4.592 4.740 0.001 0.000 0.191 1564 N C 1.981 177.282 175.510 -0.348 0.000 1.031 1564 N CA 0.411 53.327 53.050 -0.223 0.000 0.852 1564 N CB -0.668 37.866 38.487 0.078 0.000 1.018 1564 N HN 0.159 nan 8.380 nan 0.000 0.423 1565 L N 1.986 123.031 121.223 -0.298 0.000 1.990 1565 L HA -0.171 4.170 4.340 0.001 0.000 0.213 1565 L C 2.203 178.748 176.870 -0.541 0.000 1.072 1565 L CA 1.711 56.241 54.840 -0.517 0.000 0.755 1565 L CB -0.547 41.281 42.059 -0.384 0.000 0.889 1565 L HN 0.093 nan 8.230 nan 0.000 0.432 1566 R N -0.640 119.578 120.500 -0.471 0.000 2.105 1566 R HA -0.163 4.177 4.340 0.001 0.000 0.239 1566 R C 2.076 178.196 176.300 -0.301 0.000 1.135 1566 R CA 1.407 57.250 56.100 -0.429 0.000 0.967 1566 R CB -0.653 29.447 30.300 -0.334 0.000 0.861 1566 R HN 0.529 nan 8.270 nan 0.000 0.442 1567 N N 0.446 118.881 118.700 -0.441 0.000 2.084 1567 N HA -0.129 4.611 4.740 0.001 0.000 0.190 1567 N C 1.942 177.234 175.510 -0.362 0.000 1.030 1567 N CA 1.169 53.859 53.050 -0.600 0.000 0.849 1567 N CB -0.336 37.267 38.487 -1.474 0.000 1.012 1567 N HN 0.013 nan 8.380 nan 0.000 0.423 1568 V N 1.284 121.027 119.914 -0.284 0.000 2.287 1568 V HA -0.228 3.892 4.120 0.001 0.000 0.248 1568 V C 2.028 178.261 176.094 0.230 0.000 1.053 1568 V CA 1.400 63.731 62.300 0.052 0.000 1.027 1568 V CB -0.694 31.107 31.823 -0.036 0.000 0.646 1568 V HN 0.103 nan 8.190 nan 0.000 0.447 1569 F N 0.979 120.869 119.950 -0.100 0.000 2.202 1569 F HA -0.149 4.378 4.527 0.001 0.000 0.301 1569 F C 2.328 178.147 175.800 0.031 0.000 1.082 1569 F CA 1.338 59.335 58.000 -0.004 0.000 1.313 1569 F CB -0.837 38.075 39.000 -0.145 0.000 1.024 1569 F HN 0.273 nan 8.300 nan 0.000 0.495 1570 N N -0.197 118.589 118.700 0.144 0.000 2.300 1570 N HA -0.079 4.662 4.740 0.001 0.000 0.179 1570 N C 2.142 177.731 175.510 0.132 0.000 1.016 1570 N CA 0.893 53.993 53.050 0.084 0.000 0.876 1570 N CB -0.397 38.087 38.487 -0.005 0.000 0.979 1570 N HN 0.136 nan 8.380 nan 0.000 0.432 1571 V N 1.980 121.988 119.914 0.157 0.000 2.307 1571 V HA -0.132 3.989 4.120 0.001 0.000 0.245 1571 V C 2.308 178.539 176.094 0.229 0.000 1.045 1571 V CA 1.078 63.498 62.300 0.200 0.000 1.024 1571 V CB -0.337 31.649 31.823 0.272 0.000 0.651 1571 V HN 0.190 nan 8.190 nan 0.000 0.449 1572 I N -0.475 120.250 120.570 0.259 0.000 2.208 1572 I HA -0.271 3.900 4.170 0.001 0.000 0.245 1572 I C 2.406 178.722 176.117 0.331 0.000 1.097 1572 I CA 1.441 62.915 61.300 0.290 0.000 1.363 1572 I CB -0.357 37.788 38.000 0.242 0.000 1.051 1572 I HN 0.313 nan 8.210 nan 0.000 0.413 1573 L N 1.012 122.457 121.223 0.370 0.000 2.056 1573 L HA -0.126 4.214 4.340 0.001 0.000 0.207 1573 L C 2.597 179.607 176.870 0.233 0.000 1.078 1573 L CA 2.043 57.086 54.840 0.338 0.000 0.749 1573 L CB -0.777 41.427 42.059 0.241 0.000 0.901 1573 L HN 0.185 nan 8.230 nan 0.000 0.433 1574 A N -0.875 122.065 122.820 0.199 0.000 1.849 1574 A HA -0.219 4.102 4.320 0.001 0.000 0.217 1574 A C 2.259 179.977 177.584 0.223 0.000 1.202 1574 A CA 2.559 54.702 52.037 0.176 0.000 0.629 1574 A CB -1.359 17.726 19.000 0.142 0.000 0.834 1574 A HN 0.274 nan 8.150 nan 0.000 0.447 1575 V N 0.101 120.161 119.914 0.243 0.000 2.252 1575 V HA -0.277 3.844 4.120 0.001 0.000 0.249 1575 V C 2.850 179.167 176.094 0.371 0.000 1.056 1575 V CA 2.306 64.797 62.300 0.317 0.000 1.022 1575 V CB -1.708 30.316 31.823 0.335 0.000 0.641 1575 V HN 0.694 nan 8.190 nan 0.000 0.445 1576 G N 0.159 109.148 108.800 0.315 0.000 2.491 1576 G HA2 -0.333 3.627 3.960 0.001 0.000 0.218 1576 G HA3 -0.333 3.627 3.960 0.001 0.000 0.218 1576 G C 1.429 176.403 174.900 0.123 0.000 1.180 1576 G CA 1.185 46.374 45.100 0.150 0.000 0.774 1576 G HN 0.529 nan 8.290 nan 0.000 0.562 1577 N N -0.060 118.736 118.700 0.161 0.000 2.244 1577 N HA -0.078 4.662 4.740 0.001 0.000 0.183 1577 N C 1.801 177.401 175.510 0.149 0.000 1.016 1577 N CA 0.750 53.877 53.050 0.128 0.000 0.866 1577 N CB -0.361 38.204 38.487 0.131 0.000 0.980 1577 N HN 0.363 nan 8.380 nan 0.000 0.430 1578 F N 1.505 121.494 119.950 0.065 0.000 2.134 1578 F HA -0.049 4.478 4.527 0.001 0.000 0.299 1578 F C 2.168 177.992 175.800 0.039 0.000 1.097 1578 F CA 1.242 59.277 58.000 0.058 0.000 1.264 1578 F CB -0.129 38.919 39.000 0.079 0.000 1.001 1578 F HN -0.067 nan 8.300 nan 0.000 0.479 1579 M N -0.251 119.354 119.600 0.007 0.000 2.193 1579 M HA -0.080 4.401 4.480 0.001 0.000 0.265 1579 M C 0.388 176.604 176.300 -0.142 0.000 1.071 1579 M CA 0.527 55.751 55.300 -0.126 0.000 1.140 1579 M CB -0.587 32.008 32.600 -0.009 0.000 1.369 1579 M HN -0.106 nan 8.290 nan 0.000 0.423 1580 N N 2.281 120.930 118.700 -0.084 0.000 2.453 1580 N HA 0.037 4.778 4.740 0.001 0.000 0.253 1580 N C -0.729 174.734 175.510 -0.078 0.000 1.252 1580 N CA -0.003 53.000 53.050 -0.078 0.000 0.917 1580 N CB 0.220 38.675 38.487 -0.052 0.000 1.117 1580 N HN 0.211 nan 8.380 nan 0.000 0.442 1581 D N -1.706 118.654 120.400 -0.068 0.000 2.414 1581 D HA 0.043 4.683 4.640 0.001 0.000 0.251 1581 D C 1.241 177.519 176.300 -0.037 0.000 1.252 1581 D CA -0.296 53.670 54.000 -0.058 0.000 0.999 1581 D CB -0.240 40.530 40.800 -0.050 0.000 1.093 1581 D HN 0.534 nan 8.370 nan 0.000 0.515 1582 T N -3.281 111.256 114.554 -0.028 0.000 2.833 1582 T HA -0.202 4.148 4.350 0.001 0.000 0.269 1582 T C 1.827 176.521 174.700 -0.011 0.000 1.054 1582 T CA 1.440 63.531 62.100 -0.015 0.000 1.135 1582 T CB -0.929 67.932 68.868 -0.011 0.000 0.869 1582 T HN 0.478 nan 8.240 nan 0.000 0.466 1583 S N 1.906 117.597 115.700 -0.015 0.000 2.419 1583 S HA -0.042 4.428 4.470 0.001 0.000 0.233 1583 S C 1.776 176.370 174.600 -0.010 0.000 1.016 1583 S CA 0.613 58.806 58.200 -0.011 0.000 0.974 1583 S CB -0.462 62.730 63.200 -0.015 0.000 0.786 1583 S HN 0.650 nan 8.310 nan 0.000 0.492 1584 K N 0.572 120.963 120.400 -0.015 0.000 2.372 1584 K HA 0.235 4.556 4.320 0.001 0.000 0.200 1584 K C -0.050 176.550 176.600 -0.000 0.000 1.022 1584 K CA -0.238 56.041 56.287 -0.013 0.000 1.125 1584 K CB 0.235 32.717 32.500 -0.030 0.000 0.855 1584 K HN 0.331 nan 8.250 nan 0.000 0.524 1585 Q N 0.869 120.673 119.800 0.006 0.000 2.361 1585 Q HA 0.202 4.542 4.340 0.001 0.000 0.276 1585 Q C -0.258 175.762 176.000 0.032 0.000 1.022 1585 Q CA 0.334 56.150 55.803 0.022 0.000 0.898 1585 Q CB 1.229 29.979 28.738 0.021 0.000 1.246 1585 Q HN 0.236 nan 8.270 nan 0.000 0.410 1586 A N 2.059 124.910 122.820 0.052 0.000 2.539 1586 A HA 0.382 4.703 4.320 0.001 0.000 0.296 1586 A C 0.167 177.786 177.584 0.057 0.000 1.073 1586 A CA -0.553 51.519 52.037 0.059 0.000 0.700 1586 A CB 1.428 20.481 19.000 0.089 0.000 1.296 1586 A HN 0.576 nan 8.150 nan 0.000 0.405 1587 Q N 0.050 119.871 119.800 0.035 0.000 2.398 1587 Q HA 0.250 4.591 4.340 0.001 0.000 0.204 1587 Q C 0.737 176.730 176.000 -0.012 0.000 0.932 1587 Q CA 1.248 57.058 55.803 0.012 0.000 0.916 1587 Q CB 0.881 29.619 28.738 0.000 0.000 1.024 1587 Q HN 1.111 nan 8.270 nan 0.000 0.504 1588 G N 0.292 109.090 108.800 -0.004 0.000 2.506 1588 G HA2 0.447 4.408 3.960 0.001 0.000 0.292 1588 G HA3 0.447 4.408 3.960 0.001 0.000 0.292 1588 G C -1.742 173.159 174.900 0.001 0.000 1.425 1588 G CA -0.759 44.283 45.100 -0.096 0.000 0.788 1588 G HN 0.061 nan 8.290 nan 0.000 0.490 1589 F N -1.080 118.870 119.950 -0.001 0.000 2.613 1589 F HA 0.838 5.365 4.527 0.001 0.000 0.314 1589 F C -0.178 175.614 175.800 -0.014 0.000 1.075 1589 F CA -1.702 56.282 58.000 -0.027 0.000 0.945 1589 F CB 1.211 40.167 39.000 -0.074 0.000 1.310 1589 F HN 0.494 nan 8.300 nan 0.000 0.467 1590 K N 1.673 122.246 120.400 0.288 0.000 2.138 1590 K HA 0.365 4.685 4.320 0.001 0.000 0.251 1590 K C 0.855 177.582 176.600 0.212 0.000 1.015 1590 K CA -0.666 55.737 56.287 0.193 0.000 0.917 1590 K CB 1.105 33.676 32.500 0.118 0.000 1.021 1590 K HN 0.746 nan 8.250 nan 0.000 0.485 1591 L N 1.062 122.342 121.223 0.095 0.000 2.191 1591 L HA -0.215 4.126 4.340 0.001 0.000 0.212 1591 L C 2.449 179.260 176.870 -0.099 0.000 1.103 1591 L CA 1.229 56.034 54.840 -0.059 0.000 0.769 1591 L CB -0.671 41.265 42.059 -0.204 0.000 0.908 1591 L HN 0.774 nan 8.230 nan 0.000 0.438 1592 S N -1.262 114.420 115.700 -0.030 0.000 2.402 1592 S HA -0.234 4.237 4.470 0.001 0.000 0.233 1592 S C 1.886 176.425 174.600 -0.101 0.000 1.030 1592 S CA 1.836 60.018 58.200 -0.031 0.000 1.003 1592 S CB -0.956 62.255 63.200 0.018 0.000 0.813 1592 S HN 0.394 nan 8.310 nan 0.000 0.477 1593 T N 3.284 117.748 114.554 -0.151 0.000 2.737 1593 T HA -0.011 4.339 4.350 0.001 0.000 0.269 1593 T C 1.660 176.130 174.700 -0.383 0.000 1.040 1593 T CA 1.569 63.468 62.100 -0.334 0.000 1.142 1593 T CB -0.607 67.876 68.868 -0.643 0.000 0.861 1593 T HN 0.372 nan 8.240 nan 0.000 0.456 1594 L N 1.214 122.227 121.223 -0.350 0.000 2.042 1594 L HA -0.181 4.159 4.340 0.001 0.000 0.210 1594 L C 2.867 179.661 176.870 -0.126 0.000 1.076 1594 L CA 1.746 56.409 54.840 -0.294 0.000 0.749 1594 L CB -0.797 41.041 42.059 -0.369 0.000 0.893 1594 L HN 0.482 nan 8.230 nan 0.000 0.432 1595 Q N 1.609 121.332 119.800 -0.129 0.000 2.515 1595 Q HA -0.130 4.211 4.340 0.001 0.000 0.212 1595 Q C 1.257 177.036 176.000 -0.369 0.000 0.970 1595 Q CA 0.553 56.287 55.803 -0.115 0.000 0.941 1595 Q CB 0.007 28.740 28.738 -0.008 0.000 0.998 1595 Q HN 0.601 nan 8.270 nan 0.000 0.518 1596 R N 0.008 120.232 120.500 -0.461 0.000 2.662 1596 R HA 0.285 4.625 4.340 0.001 0.000 0.396 1596 R C 0.266 176.158 176.300 -0.682 0.000 1.096 1596 R CA -0.255 55.323 56.100 -0.870 0.000 1.081 1596 R CB 0.103 30.200 30.300 -0.339 0.000 1.382 1596 R HN 0.196 nan 8.270 nan 0.000 0.580 1597 L N 0.115 121.078 121.223 -0.433 0.000 2.653 1597 L HA 0.247 4.588 4.340 0.001 0.000 0.231 1597 L C 0.547 177.390 176.870 -0.045 0.000 1.153 1597 L CA 0.241 55.011 54.840 -0.117 0.000 0.933 1597 L CB 0.643 42.788 42.059 0.143 0.000 1.175 1597 L HN 0.187 nan 8.230 nan 0.000 0.473 1598 T N -1.112 113.278 114.554 -0.274 0.000 2.985 1598 T HA 0.125 4.475 4.350 0.001 0.000 0.254 1598 T C 1.162 175.962 174.700 0.167 0.000 1.021 1598 T CA -0.024 62.058 62.100 -0.029 0.000 0.957 1598 T CB 0.106 68.975 68.868 0.000 0.000 1.047 1598 T HN 0.064 nan 8.240 nan 0.000 0.511 1599 F N 1.415 121.386 119.950 0.035 0.000 2.748 1599 F HA 0.401 4.929 4.527 0.001 0.000 0.299 1599 F C 0.780 176.582 175.800 0.003 0.000 1.154 1599 F CA -1.030 56.977 58.000 0.011 0.000 1.446 1599 F CB -0.720 38.272 39.000 -0.012 0.000 1.112 1599 F HN 0.142 nan 8.300 nan 0.000 0.584 1600 I N 1.097 121.758 120.570 0.152 0.000 2.330 1600 I HA 0.257 4.427 4.170 0.001 0.000 0.289 1600 I C -0.332 175.857 176.117 0.121 0.000 1.001 1600 I CA -0.678 60.673 61.300 0.086 0.000 1.193 1600 I CB 1.108 39.097 38.000 -0.018 0.000 1.345 1600 I HN -0.233 nan 8.210 nan 0.000 0.461 1601 K N 4.785 125.240 120.400 0.092 0.000 2.221 1601 K HA 0.350 4.671 4.320 0.001 0.000 0.243 1601 K C -0.378 176.256 176.600 0.057 0.000 0.968 1601 K CA -0.800 55.542 56.287 0.091 0.000 0.846 1601 K CB 1.145 33.695 32.500 0.083 0.000 1.141 1601 K HN 0.570 nan 8.250 nan 0.000 0.434 1602 D N -0.452 119.984 120.400 0.061 0.000 2.433 1602 D HA -0.011 4.630 4.640 0.001 0.000 0.255 1602 D C 0.589 176.911 176.300 0.038 0.000 1.226 1602 D CA -0.136 53.878 54.000 0.024 0.000 1.015 1602 D CB 0.716 41.547 40.800 0.051 0.000 1.091 1602 D HN 0.622 nan 8.370 nan 0.000 0.527 1603 T N -1.920 112.652 114.554 0.029 0.000 2.597 1603 T HA -0.306 4.045 4.350 0.001 0.000 0.267 1603 T C 1.979 176.702 174.700 0.038 0.000 1.053 1603 T CA 3.050 65.168 62.100 0.030 0.000 1.165 1603 T CB -1.725 67.160 68.868 0.028 0.000 0.863 1603 T HN 0.691 nan 8.240 nan 0.000 0.427 1604 T N -0.242 114.342 114.554 0.050 0.000 2.996 1604 T HA -0.143 4.207 4.350 0.001 0.000 0.271 1604 T C 1.219 175.947 174.700 0.048 0.000 1.126 1604 T CA 1.495 63.623 62.100 0.047 0.000 1.103 1604 T CB -1.169 67.734 68.868 0.057 0.000 0.870 1604 T HN 0.663 nan 8.240 nan 0.000 0.528 1605 N N -0.247 118.485 118.700 0.054 0.000 2.800 1605 N HA -0.251 4.489 4.740 0.001 0.000 0.250 1605 N C 1.001 176.549 175.510 0.063 0.000 1.078 1605 N CA 0.986 54.068 53.050 0.055 0.000 0.804 1605 N CB -1.401 37.110 38.487 0.041 0.000 1.135 1605 N HN 0.761 nan 8.380 nan 0.000 0.565 1606 S N -1.261 114.483 115.700 0.073 0.000 2.338 1606 S HA 0.196 4.667 4.470 0.001 0.000 0.197 1606 S C 1.010 175.664 174.600 0.090 0.000 0.990 1606 S CA -0.074 58.168 58.200 0.071 0.000 0.920 1606 S CB -0.094 63.144 63.200 0.064 0.000 0.903 1606 S HN 0.193 nan 8.310 nan 0.000 0.542 1607 M N 2.105 121.779 119.600 0.124 0.000 2.247 1607 M HA 0.166 4.646 4.480 0.001 0.000 0.318 1607 M C 0.374 176.783 176.300 0.183 0.000 1.054 1607 M CA 0.664 56.067 55.300 0.172 0.000 1.117 1607 M CB -0.363 32.442 32.600 0.342 0.000 1.515 1607 M HN 0.414 nan 8.290 nan 0.000 0.442 1608 T N 0.087 114.749 114.554 0.181 0.000 2.950 1608 T HA 0.344 4.694 4.350 0.001 0.000 0.288 1608 T C 0.617 175.459 174.700 0.237 0.000 1.035 1608 T CA -0.649 61.557 62.100 0.177 0.000 1.028 1608 T CB 0.825 69.770 68.868 0.129 0.000 1.109 1608 T HN 0.502 nan 8.240 nan 0.000 0.514 1609 F N 2.670 122.659 119.950 0.066 0.000 2.120 1609 F HA -0.077 4.451 4.527 0.001 0.000 0.300 1609 F C 1.805 177.675 175.800 0.117 0.000 1.095 1609 F CA 1.616 59.650 58.000 0.058 0.000 1.249 1609 F CB -0.365 38.634 39.000 -0.002 0.000 0.995 1609 F HN 0.500 nan 8.300 nan 0.000 0.480 1610 L N 1.000 122.298 121.223 0.124 0.000 2.042 1610 L HA -0.251 4.089 4.340 0.001 0.000 0.210 1610 L C 1.866 178.695 176.870 -0.068 0.000 1.076 1610 L CA 2.180 57.031 54.840 0.019 0.000 0.749 1610 L CB -1.386 40.713 42.059 0.067 0.000 0.893 1610 L HN 0.168 nan 8.230 nan 0.000 0.432 1611 N N -1.933 116.756 118.700 -0.018 0.000 2.069 1611 N HA -0.249 4.491 4.740 0.001 0.000 0.191 1611 N C 1.703 177.145 175.510 -0.114 0.000 1.031 1611 N CA 1.925 54.928 53.050 -0.079 0.000 0.852 1611 N CB -0.428 38.043 38.487 -0.026 0.000 1.018 1611 N HN 0.348 nan 8.380 nan 0.000 0.423 1612 Y N 0.682 120.881 120.300 -0.169 0.000 2.181 1612 Y HA -0.155 4.396 4.550 0.001 0.000 0.288 1612 Y C 2.327 178.113 175.900 -0.190 0.000 1.146 1612 Y CA 0.736 58.732 58.100 -0.173 0.000 1.164 1612 Y CB -0.693 37.655 38.460 -0.187 0.000 0.982 1612 Y HN -0.115 nan 8.280 nan 0.000 0.515 1613 V N 0.105 119.940 119.914 -0.132 0.000 2.252 1613 V HA -0.320 3.801 4.120 0.001 0.000 0.249 1613 V C 2.481 178.607 176.094 0.053 0.000 1.056 1613 V CA 2.291 64.554 62.300 -0.061 0.000 1.022 1613 V CB -0.571 31.222 31.823 -0.050 0.000 0.641 1613 V HN 0.388 nan 8.190 nan 0.000 0.445 1614 E N 0.399 120.561 120.200 -0.062 0.000 2.058 1614 E HA -0.284 4.066 4.350 0.001 0.000 0.194 1614 E C 2.296 178.855 176.600 -0.068 0.000 0.997 1614 E CA 1.954 58.257 56.400 -0.162 0.000 0.801 1614 E CB -0.163 29.212 29.700 -0.541 0.000 0.746 1614 E HN 0.557 nan 8.360 nan 0.000 0.450 1615 K N 0.145 120.465 120.400 -0.132 0.000 2.032 1615 K HA -0.107 4.213 4.320 0.001 0.000 0.209 1615 K C 2.369 178.923 176.600 -0.077 0.000 1.048 1615 K CA 1.593 57.794 56.287 -0.143 0.000 0.927 1615 K CB -0.219 32.122 32.500 -0.265 0.000 0.712 1615 K HN 0.145 nan 8.250 nan 0.000 0.441 1616 I N 0.147 120.700 120.570 -0.029 0.000 2.208 1616 I HA -0.305 3.865 4.170 0.001 0.000 0.245 1616 I C 2.032 178.175 176.117 0.043 0.000 1.097 1616 I CA 1.062 62.367 61.300 0.010 0.000 1.363 1616 I CB -0.204 37.848 38.000 0.087 0.000 1.051 1616 I HN 0.013 nan 8.210 nan 0.000 0.413 1617 V N 0.629 120.647 119.914 0.174 0.000 2.270 1617 V HA -0.268 3.852 4.120 0.001 0.000 0.245 1617 V C 2.600 178.770 176.094 0.127 0.000 1.043 1617 V CA 1.994 64.467 62.300 0.288 0.000 1.014 1617 V CB -0.742 31.376 31.823 0.491 0.000 0.645 1617 V HN 0.387 nan 8.190 nan 0.000 0.447 1618 R N -0.032 120.527 120.500 0.098 0.000 2.105 1618 R HA -0.095 4.246 4.340 0.001 0.000 0.239 1618 R C 1.922 178.192 176.300 -0.049 0.000 1.135 1618 R CA 1.599 57.720 56.100 0.035 0.000 0.967 1618 R CB -0.184 30.123 30.300 0.012 0.000 0.861 1618 R HN 0.498 nan 8.270 nan 0.000 0.442 1619 L N -0.107 121.059 121.223 -0.095 0.000 2.607 1619 L HA 0.170 4.511 4.340 0.001 0.000 0.228 1619 L C 0.987 177.720 176.870 -0.228 0.000 1.123 1619 L CA 0.034 54.792 54.840 -0.137 0.000 0.890 1619 L CB 0.085 42.069 42.059 -0.125 0.000 1.103 1619 L HN 0.199 nan 8.230 nan 0.000 0.468 1620 N N -1.131 117.353 118.700 -0.360 0.000 2.324 1620 N HA 0.105 4.846 4.740 0.001 0.000 0.235 1620 N C -0.179 174.760 175.510 -0.952 0.000 1.162 1620 N CA 0.334 52.957 53.050 -0.713 0.000 0.834 1620 N CB 0.947 38.825 38.487 -1.014 0.000 1.354 1620 N HN 0.219 nan 8.380 nan 0.000 0.471 1621 Y N 1.116 121.264 120.300 -0.253 0.000 2.501 1621 Y HA 0.332 4.883 4.550 0.001 0.000 0.331 1621 Y C -1.814 173.857 175.900 -0.381 0.000 0.950 1621 Y CA -1.479 56.286 58.100 -0.559 0.000 1.120 1621 Y CB 1.172 38.889 38.460 -1.238 0.000 1.154 1621 Y HN -0.052 nan 8.280 nan 0.000 0.630 1622 P HA -0.312 nan 4.420 nan 0.000 0.217 1622 P C 1.671 179.025 177.300 0.090 0.000 1.158 1622 P CA 2.524 65.632 63.100 0.013 0.000 0.887 1622 P CB 0.121 31.811 31.700 -0.015 0.000 0.792 1623 S N -0.645 115.099 115.700 0.073 0.000 2.392 1623 S HA -0.220 4.250 4.470 0.001 0.000 0.232 1623 S C 1.924 176.737 174.600 0.355 0.000 1.041 1623 S CA 1.264 59.567 58.200 0.173 0.000 1.026 1623 S CB -1.749 61.553 63.200 0.170 0.000 0.845 1623 S HN -0.096 nan 8.310 nan 0.000 0.465 1624 F N 2.928 122.989 119.950 0.186 0.000 2.184 1624 F HA -0.098 4.430 4.527 0.001 0.000 0.301 1624 F C 2.233 178.233 175.800 0.333 0.000 1.076 1624 F CA 0.753 58.889 58.000 0.227 0.000 1.295 1624 F CB -1.872 37.273 39.000 0.242 0.000 1.026 1624 F HN 0.243 nan 8.300 nan 0.000 0.494 1625 N N 0.327 119.303 118.700 0.460 0.000 2.519 1625 N HA -0.142 4.599 4.740 0.001 0.000 0.186 1625 N C 1.221 176.765 175.510 0.056 0.000 1.062 1625 N CA 0.743 53.958 53.050 0.275 0.000 0.910 1625 N CB -0.317 38.292 38.487 0.204 0.000 0.958 1625 N HN 0.162 nan 8.380 nan 0.000 0.445 1626 D N -0.271 120.216 120.400 0.144 0.000 2.178 1626 D HA -0.182 4.458 4.640 0.001 0.000 0.201 1626 D C 1.661 177.964 176.300 0.005 0.000 0.980 1626 D CA 0.605 54.639 54.000 0.057 0.000 0.842 1626 D CB -0.382 40.477 40.800 0.098 0.000 0.948 1626 D HN 0.498 nan 8.370 nan 0.000 0.472 1627 F N 1.181 121.143 119.950 0.020 0.000 2.184 1627 F HA -0.222 4.305 4.527 0.001 0.000 0.301 1627 F C 1.920 177.710 175.800 -0.017 0.000 1.076 1627 F CA 0.991 58.983 58.000 -0.013 0.000 1.295 1627 F CB -0.950 38.033 39.000 -0.028 0.000 1.026 1627 F HN -0.082 nan 8.300 nan 0.000 0.494 1628 L N 0.306 120.920 121.223 -1.015 0.000 2.046 1628 L HA -0.200 4.141 4.340 0.001 0.000 0.208 1628 L C 2.603 179.311 176.870 -0.270 0.000 1.077 1628 L CA 1.592 55.992 54.840 -0.734 0.000 0.747 1628 L CB -0.957 40.721 42.059 -0.636 0.000 0.896 1628 L HN 0.267 nan 8.230 nan 0.000 0.432 1629 S N -0.431 115.159 115.700 -0.183 0.000 2.362 1629 S HA -0.113 4.357 4.470 0.001 0.000 0.221 1629 S C 1.724 176.291 174.600 -0.054 0.000 1.032 1629 S CA 0.861 59.007 58.200 -0.090 0.000 0.973 1629 S CB -0.260 62.904 63.200 -0.061 0.000 0.849 1629 S HN 0.454 nan 8.310 nan 0.000 0.465 1630 E N 1.544 121.727 120.200 -0.029 0.000 2.171 1630 E HA -0.123 4.227 4.350 0.001 0.000 0.197 1630 E C 0.827 177.424 176.600 -0.005 0.000 0.997 1630 E CA 0.860 57.260 56.400 -0.000 0.000 0.810 1630 E CB -0.446 29.277 29.700 0.038 0.000 0.738 1630 E HN 0.460 nan 8.360 nan 0.000 0.467 1631 L N 1.091 122.317 121.223 0.004 0.000 2.848 1631 L HA 0.126 4.467 4.340 0.001 0.000 0.240 1631 L C 1.398 178.254 176.870 -0.023 0.000 1.232 1631 L CA -0.141 54.701 54.840 0.004 0.000 1.031 1631 L CB -0.050 42.061 42.059 0.086 0.000 1.338 1631 L HN 0.033 nan 8.230 nan 0.000 0.509 1632 E N 1.259 121.435 120.200 -0.039 0.000 2.110 1632 E HA -0.155 4.196 4.350 0.001 0.000 0.193 1632 E C -0.637 175.925 176.600 -0.063 0.000 0.988 1632 E CA 0.929 57.302 56.400 -0.044 0.000 0.804 1632 E CB -0.634 29.039 29.700 -0.044 0.000 0.745 1632 E HN 0.453 nan 8.360 nan 0.000 0.458 1633 P HA -0.125 nan 4.420 nan 0.000 0.221 1633 P C 1.384 178.575 177.300 -0.182 0.000 1.145 1633 P CA 1.026 64.055 63.100 -0.117 0.000 0.795 1633 P CB 0.058 31.690 31.700 -0.112 0.000 0.775 1634 V N -0.246 119.570 119.914 -0.164 0.000 2.591 1634 V HA -0.152 3.969 4.120 0.001 0.000 0.249 1634 V C 2.686 178.710 176.094 -0.116 0.000 1.053 1634 V CA 1.253 63.423 62.300 -0.216 0.000 1.068 1634 V CB -1.085 30.680 31.823 -0.098 0.000 0.689 1634 V HN 0.020 nan 8.190 nan 0.000 0.462 1635 L N -0.112 121.080 121.223 -0.053 0.000 2.141 1635 L HA -0.156 4.184 4.340 0.001 0.000 0.209 1635 L C 2.126 178.974 176.870 -0.038 0.000 1.094 1635 L CA 1.521 56.351 54.840 -0.016 0.000 0.763 1635 L CB -0.594 41.462 42.059 -0.006 0.000 0.908 1635 L HN 0.326 nan 8.230 nan 0.000 0.437 1636 D N -0.798 119.559 120.400 -0.071 0.000 2.149 1636 D HA -0.145 4.496 4.640 0.001 0.000 0.201 1636 D C 2.106 178.354 176.300 -0.087 0.000 0.972 1636 D CA 0.728 54.685 54.000 -0.071 0.000 0.835 1636 D CB 0.039 40.792 40.800 -0.077 0.000 0.966 1636 D HN 0.008 nan 8.370 nan 0.000 0.476 1637 V N 0.140 119.963 119.914 -0.152 0.000 3.380 1637 V HA -0.090 4.031 4.120 0.001 0.000 0.268 1637 V C 1.965 178.016 176.094 -0.071 0.000 1.168 1637 V CA 0.581 62.778 62.300 -0.172 0.000 1.156 1637 V CB -0.117 31.469 31.823 -0.396 0.000 0.785 1637 V HN 0.035 nan 8.190 nan 0.000 0.487 1638 V N 0.485 120.382 119.914 -0.029 0.000 2.439 1638 V HA -0.262 3.858 4.120 0.001 0.000 0.253 1638 V C 1.931 178.063 176.094 0.062 0.000 1.074 1638 V CA 2.082 64.416 62.300 0.058 0.000 1.076 1638 V CB -0.514 31.344 31.823 0.059 0.000 0.664 1638 V HN 0.581 nan 8.190 nan 0.000 0.461 1639 K N -0.445 119.972 120.400 0.028 0.000 2.862 1639 K HA 0.295 4.615 4.320 0.001 0.000 0.229 1639 K C -0.743 175.870 176.600 0.022 0.000 1.107 1639 K CA -0.057 56.247 56.287 0.028 0.000 1.222 1639 K CB 0.547 33.056 32.500 0.014 0.000 1.067 1639 K HN 0.244 nan 8.250 nan 0.000 0.464 1640 V N 0.577 120.512 119.914 0.035 0.000 2.569 1640 V HA 0.106 4.226 4.120 0.001 0.000 0.301 1640 V C -0.575 175.546 176.094 0.045 0.000 1.044 1640 V CA -0.935 61.378 62.300 0.023 0.000 0.874 1640 V CB 1.869 33.690 31.823 -0.004 0.000 1.002 1640 V HN 0.103 nan 8.190 nan 0.000 0.424 1641 S N 4.537 120.250 115.700 0.021 0.000 2.399 1641 S HA 0.350 4.821 4.470 0.001 0.000 0.301 1641 S C 1.093 175.670 174.600 -0.038 0.000 1.093 1641 S CA -0.473 57.734 58.200 0.011 0.000 1.077 1641 S CB 0.389 63.599 63.200 0.016 0.000 0.980 1641 S HN 0.742 nan 8.310 nan 0.000 0.494 1642 I N 3.977 124.490 120.570 -0.094 0.000 2.530 1642 I HA -0.115 4.055 4.170 0.001 0.000 0.257 1642 I C 2.018 178.043 176.117 -0.154 0.000 1.179 1642 I CA 1.473 62.654 61.300 -0.198 0.000 1.440 1642 I CB 0.055 37.756 38.000 -0.498 0.000 1.087 1642 I HN 0.731 nan 8.210 nan 0.000 0.440 1643 E N 0.749 120.890 120.200 -0.098 0.000 2.016 1643 E HA -0.312 4.038 4.350 0.001 0.000 0.190 1643 E C 2.101 178.684 176.600 -0.028 0.000 0.985 1643 E CA 1.669 58.039 56.400 -0.051 0.000 0.802 1643 E CB -0.272 29.420 29.700 -0.013 0.000 0.762 1643 E HN 0.465 nan 8.360 nan 0.000 0.448 1644 Q N 0.110 119.901 119.800 -0.016 0.000 2.061 1644 Q HA -0.145 4.196 4.340 0.001 0.000 0.204 1644 Q C 2.144 178.136 176.000 -0.014 0.000 0.984 1644 Q CA 1.760 57.560 55.803 -0.004 0.000 0.846 1644 Q CB -0.769 27.972 28.738 0.004 0.000 0.902 1644 Q HN 0.404 nan 8.270 nan 0.000 0.421 1645 L N -0.500 120.703 121.223 -0.033 0.000 1.990 1645 L HA -0.176 4.165 4.340 0.001 0.000 0.213 1645 L C 2.239 179.087 176.870 -0.037 0.000 1.072 1645 L CA 1.880 56.694 54.840 -0.045 0.000 0.755 1645 L CB -1.041 40.977 42.059 -0.068 0.000 0.889 1645 L HN 0.200 nan 8.230 nan 0.000 0.432 1646 V N 0.512 120.400 119.914 -0.044 0.000 2.282 1646 V HA -0.353 3.767 4.120 0.001 0.000 0.249 1646 V C 2.454 178.550 176.094 0.004 0.000 1.057 1646 V CA 2.130 64.415 62.300 -0.025 0.000 1.032 1646 V CB -0.925 30.878 31.823 -0.034 0.000 0.645 1646 V HN 0.568 nan 8.190 nan 0.000 0.447 1647 N N 0.186 118.890 118.700 0.007 0.000 2.120 1647 N HA -0.170 4.570 4.740 0.001 0.000 0.188 1647 N C 1.535 177.070 175.510 0.042 0.000 1.024 1647 N CA 1.680 54.745 53.050 0.025 0.000 0.852 1647 N CB -0.563 37.938 38.487 0.023 0.000 1.003 1647 N HN 0.502 nan 8.380 nan 0.000 0.424 1648 D N 0.858 121.279 120.400 0.034 0.000 2.158 1648 D HA -0.134 4.507 4.640 0.001 0.000 0.197 1648 D C 2.243 178.602 176.300 0.098 0.000 0.995 1648 D CA 1.044 55.077 54.000 0.055 0.000 0.846 1648 D CB -0.522 40.292 40.800 0.022 0.000 0.941 1648 D HN 0.462 nan 8.370 nan 0.000 0.456 1649 C N 1.092 120.434 119.300 0.069 0.000 2.436 1649 C HA -0.032 4.428 4.460 0.001 0.000 0.277 1649 C C 2.397 177.494 174.990 0.179 0.000 1.241 1649 C CA 0.302 59.392 59.018 0.121 0.000 1.721 1649 C CB -0.936 26.842 27.740 0.063 0.000 2.043 1649 C HN 0.182 nan 8.230 nan 0.000 0.472 1650 K N 1.498 121.962 120.400 0.107 0.000 2.020 1650 K HA -0.187 4.133 4.320 0.001 0.000 0.212 1650 K C 1.783 178.441 176.600 0.096 0.000 1.050 1650 K CA 2.301 58.641 56.287 0.088 0.000 0.929 1650 K CB -0.525 32.008 32.500 0.056 0.000 0.714 1650 K HN 0.552 nan 8.250 nan 0.000 0.443 1651 D N 0.476 120.935 120.400 0.098 0.000 2.123 1651 D HA -0.181 4.459 4.640 0.001 0.000 0.196 1651 D C 1.768 178.135 176.300 0.112 0.000 0.992 1651 D CA 0.964 55.016 54.000 0.087 0.000 0.833 1651 D CB -0.367 40.483 40.800 0.084 0.000 0.954 1651 D HN 0.076 nan 8.370 nan 0.000 0.455 1652 F N 2.189 122.158 119.950 0.031 0.000 2.025 1652 F HA -0.269 4.259 4.527 0.001 0.000 0.297 1652 F C 2.556 178.379 175.800 0.037 0.000 1.132 1652 F CA 1.718 59.746 58.000 0.047 0.000 1.191 1652 F CB -0.481 38.562 39.000 0.071 0.000 0.963 1652 F HN -0.149 nan 8.300 nan 0.000 0.481 1653 S N -0.247 115.514 115.700 0.101 0.000 2.359 1653 S HA -0.314 4.156 4.470 0.001 0.000 0.224 1653 S C 1.845 176.400 174.600 -0.076 0.000 1.035 1653 S CA 1.447 59.637 58.200 -0.016 0.000 1.018 1653 S CB -0.642 62.606 63.200 0.080 0.000 0.876 1653 S HN 0.470 nan 8.310 nan 0.000 0.448 1654 Q N 2.007 121.791 119.800 -0.026 0.000 2.077 1654 Q HA -0.156 4.185 4.340 0.001 0.000 0.206 1654 Q C 2.303 178.262 176.000 -0.068 0.000 0.989 1654 Q CA 2.298 58.082 55.803 -0.032 0.000 0.853 1654 Q CB -0.648 28.088 28.738 -0.004 0.000 0.907 1654 Q HN 0.661 nan 8.270 nan 0.000 0.418 1655 S N -0.290 115.355 115.700 -0.091 0.000 2.353 1655 S HA -0.203 4.268 4.470 0.001 0.000 0.222 1655 S C 2.013 176.519 174.600 -0.155 0.000 1.035 1655 S CA 1.535 59.667 58.200 -0.113 0.000 1.025 1655 S CB -0.900 62.227 63.200 -0.122 0.000 0.902 1655 S HN 0.485 nan 8.310 nan 0.000 0.440 1656 I N 1.447 121.872 120.570 -0.242 0.000 2.208 1656 I HA -0.164 4.006 4.170 0.001 0.000 0.245 1656 I C 2.565 178.588 176.117 -0.156 0.000 1.097 1656 I CA 1.238 62.390 61.300 -0.246 0.000 1.363 1656 I CB -0.706 37.097 38.000 -0.329 0.000 1.051 1656 I HN 0.237 nan 8.210 nan 0.000 0.413 1657 V N 1.432 121.274 119.914 -0.120 0.000 2.220 1657 V HA -0.320 3.800 4.120 0.001 0.000 0.246 1657 V C 2.206 178.261 176.094 -0.065 0.000 1.049 1657 V CA 2.337 64.590 62.300 -0.078 0.000 1.003 1657 V CB -0.912 30.879 31.823 -0.053 0.000 0.634 1657 V HN 0.452 nan 8.190 nan 0.000 0.444 1658 N N 0.232 118.896 118.700 -0.059 0.000 2.060 1658 N HA -0.179 4.561 4.740 0.001 0.000 0.195 1658 N C 1.694 177.176 175.510 -0.047 0.000 1.028 1658 N CA 1.642 54.665 53.050 -0.044 0.000 0.861 1658 N CB -0.961 37.502 38.487 -0.040 0.000 1.029 1658 N HN 0.361 nan 8.380 nan 0.000 0.428 1659 V N 1.621 121.494 119.914 -0.067 0.000 2.332 1659 V HA -0.216 3.904 4.120 0.001 0.000 0.248 1659 V C 2.106 178.168 176.094 -0.054 0.000 1.055 1659 V CA 1.618 63.878 62.300 -0.065 0.000 1.038 1659 V CB -0.480 31.286 31.823 -0.094 0.000 0.651 1659 V HN 0.375 nan 8.190 nan 0.000 0.450 1660 E N -0.367 119.793 120.200 -0.065 0.000 2.118 1660 E HA -0.272 4.079 4.350 0.001 0.000 0.195 1660 E C 2.378 178.957 176.600 -0.034 0.000 0.992 1660 E CA 1.355 57.722 56.400 -0.054 0.000 0.804 1660 E CB -0.171 29.491 29.700 -0.063 0.000 0.741 1660 E HN 0.504 nan 8.360 nan 0.000 0.458 1661 R N 1.014 121.496 120.500 -0.030 0.000 2.064 1661 R HA -0.147 4.193 4.340 0.001 0.000 0.228 1661 R C 2.625 178.921 176.300 -0.006 0.000 1.144 1661 R CA 1.936 58.025 56.100 -0.017 0.000 0.932 1661 R CB -0.331 29.960 30.300 -0.015 0.000 0.833 1661 R HN 0.153 nan 8.270 nan 0.000 0.429 1662 S N -0.221 115.479 115.700 -0.001 0.000 2.407 1662 S HA -0.136 4.334 4.470 0.001 0.000 0.235 1662 S C 1.977 176.596 174.600 0.032 0.000 1.036 1662 S CA 1.676 59.889 58.200 0.021 0.000 1.013 1662 S CB -0.560 62.656 63.200 0.026 0.000 0.820 1662 S HN 0.220 nan 8.310 nan 0.000 0.476 1663 V N 1.631 121.554 119.914 0.016 0.000 2.591 1663 V HA -0.020 4.100 4.120 0.001 0.000 0.249 1663 V C 2.530 178.629 176.094 0.008 0.000 1.053 1663 V CA 1.908 64.222 62.300 0.023 0.000 1.068 1663 V CB -0.602 31.222 31.823 0.002 0.000 0.689 1663 V HN 0.574 nan 8.190 nan 0.000 0.462 1664 E N -0.168 120.029 120.200 -0.005 0.000 2.364 1664 E HA 0.211 4.561 4.350 0.001 0.000 0.196 1664 E C 1.391 177.983 176.600 -0.014 0.000 0.990 1664 E CA 0.924 57.316 56.400 -0.012 0.000 0.886 1664 E CB 0.486 30.176 29.700 -0.017 0.000 0.866 1664 E HN 0.779 nan 8.360 nan 0.000 0.493 1665 I N -4.444 116.121 120.570 -0.009 0.000 3.931 1665 I HA 0.385 4.555 4.170 0.001 0.000 0.345 1665 I C 0.418 176.533 176.117 -0.002 0.000 1.316 1665 I CA -0.593 60.700 61.300 -0.011 0.000 1.047 1665 I CB 0.628 38.622 38.000 -0.010 0.000 2.010 1665 I HN -0.075 nan 8.210 nan 0.000 0.709 1666 G N 0.848 109.654 108.800 0.009 0.000 2.971 1666 G HA2 0.253 4.213 3.960 0.001 0.000 0.235 1666 G HA3 0.253 4.213 3.960 0.001 0.000 0.235 1666 G C 0.195 175.121 174.900 0.043 0.000 1.351 1666 G CA -0.456 44.659 45.100 0.026 0.000 1.039 1666 G HN 0.139 nan 8.290 nan 0.000 0.563 1667 N N -0.275 118.474 118.700 0.082 0.000 2.651 1667 N HA -0.041 4.700 4.740 0.001 0.000 0.193 1667 N C 1.199 176.824 175.510 0.193 0.000 1.149 1667 N CA 0.564 53.696 53.050 0.137 0.000 0.933 1667 N CB 0.125 38.739 38.487 0.211 0.000 0.974 1667 N HN 0.264 nan 8.380 nan 0.000 0.448 1668 L N -0.365 120.958 121.223 0.166 0.000 3.184 1668 L HA 0.139 4.480 4.340 0.001 0.000 0.283 1668 L C 1.423 178.367 176.870 0.123 0.000 1.218 1668 L CA 0.024 55.049 54.840 0.307 0.000 1.028 1668 L CB 0.353 42.578 42.059 0.277 0.000 1.400 1668 L HN 0.023 nan 8.230 nan 0.000 0.591 1669 S N -2.407 113.289 115.700 -0.008 0.000 2.439 1669 S HA -0.020 4.451 4.470 0.001 0.000 0.224 1669 S C 0.782 175.284 174.600 -0.163 0.000 1.029 1669 S CA 0.065 58.231 58.200 -0.056 0.000 0.946 1669 S CB -0.005 63.170 63.200 -0.041 0.000 0.797 1669 S HN 0.242 nan 8.310 nan 0.000 0.504 1670 D N 2.385 122.630 120.400 -0.259 0.000 2.441 1670 D HA 0.337 4.977 4.640 0.001 0.000 0.221 1670 D C 0.926 176.742 176.300 -0.806 0.000 1.156 1670 D CA -0.061 53.715 54.000 -0.373 0.000 0.896 1670 D CB 1.071 41.712 40.800 -0.265 0.000 1.028 1670 D HN 0.226 nan 8.370 nan 0.000 0.509 1671 S N 1.822 117.078 115.700 -0.739 0.000 2.561 1671 S HA -0.105 4.365 4.470 0.001 0.000 0.225 1671 S C 1.518 175.734 174.600 -0.639 0.000 0.977 1671 S CA 0.905 58.496 58.200 -1.014 0.000 0.926 1671 S CB -0.099 62.877 63.200 -0.373 0.000 0.769 1671 S HN 0.319 nan 8.310 nan 0.000 0.533 1672 S N 0.064 115.516 115.700 -0.413 0.000 2.575 1672 S HA 0.252 4.723 4.470 0.001 0.000 0.215 1672 S C 1.432 175.931 174.600 -0.168 0.000 0.966 1672 S CA -0.068 58.013 58.200 -0.199 0.000 0.911 1672 S CB -0.225 62.901 63.200 -0.123 0.000 0.780 1672 S HN 0.586 nan 8.310 nan 0.000 0.514 1673 K N 0.411 120.613 120.400 -0.330 0.000 2.426 1673 K HA 0.245 4.566 4.320 0.001 0.000 0.193 1673 K C -0.259 176.304 176.600 -0.061 0.000 1.028 1673 K CA -0.184 55.995 56.287 -0.179 0.000 1.047 1673 K CB 0.064 32.425 32.500 -0.231 0.000 0.821 1673 K HN 0.413 nan 8.250 nan 0.000 0.513 1674 F N 0.706 120.524 119.950 -0.220 0.000 2.368 1674 F HA 0.112 4.640 4.527 0.001 0.000 0.308 1674 F C 1.138 176.969 175.800 0.051 0.000 1.198 1674 F CA -1.392 56.485 58.000 -0.204 0.000 1.130 1674 F CB 0.389 39.276 39.000 -0.187 0.000 1.300 1674 F HN 0.109 nan 8.300 nan 0.000 0.537 1675 H N 2.397 121.589 119.070 0.203 0.000 2.582 1675 H HA 0.145 4.702 4.556 0.001 0.000 0.345 1675 H C -1.980 173.276 175.328 -0.120 0.000 1.104 1675 H CA -2.178 53.740 56.048 -0.217 0.000 1.390 1675 H CB 1.724 31.226 29.762 -0.435 0.000 1.461 1675 H HN 0.177 nan 8.280 nan 0.000 0.551 1676 P HA -0.139 nan 4.420 nan 0.000 0.217 1676 P C 1.472 178.870 177.300 0.164 0.000 1.148 1676 P CA 1.273 64.423 63.100 0.084 0.000 0.828 1676 P CB 0.263 31.979 31.700 0.027 0.000 0.783 1677 L N -2.098 119.306 121.223 0.302 0.000 2.509 1677 L HA 0.080 4.420 4.340 0.001 0.000 0.222 1677 L C 0.947 177.785 176.870 -0.053 0.000 1.123 1677 L CA 0.029 54.889 54.840 0.033 0.000 0.856 1677 L CB -0.563 41.416 42.059 -0.132 0.000 0.985 1677 L HN -0.031 nan 8.230 nan 0.000 0.456 1678 D N 2.254 122.643 120.400 -0.019 0.000 2.390 1678 D HA 0.032 4.673 4.640 0.001 0.000 0.249 1678 D C 0.145 176.437 176.300 -0.013 0.000 1.144 1678 D CA 0.192 54.166 54.000 -0.043 0.000 0.880 1678 D CB 0.827 41.627 40.800 0.000 0.000 1.182 1678 D HN 0.230 nan 8.370 nan 0.000 0.451 1679 K N 2.090 122.467 120.400 -0.038 0.000 3.309 1679 K HA 0.195 4.515 4.320 0.001 0.000 0.187 1679 K C 1.085 177.666 176.600 -0.031 0.000 1.085 1679 K CA -0.479 55.801 56.287 -0.010 0.000 0.867 1679 K CB 0.310 32.818 32.500 0.012 0.000 0.846 1679 K HN 0.141 nan 8.250 nan 0.000 0.522 1680 V N -1.700 118.155 119.914 -0.097 0.000 2.343 1680 V HA -0.218 3.903 4.120 0.001 0.000 0.247 1680 V C 1.884 177.952 176.094 -0.043 0.000 1.051 1680 V CA 0.996 63.242 62.300 -0.090 0.000 1.036 1680 V CB -0.827 30.898 31.823 -0.163 0.000 0.654 1680 V HN 0.449 nan 8.190 nan 0.000 0.451 1681 L N -0.090 121.126 121.223 -0.012 0.000 2.079 1681 L HA -0.125 4.215 4.340 0.001 0.000 0.210 1681 L C 2.721 179.604 176.870 0.022 0.000 1.081 1681 L CA 2.304 57.163 54.840 0.033 0.000 0.752 1681 L CB -0.697 41.425 42.059 0.106 0.000 0.896 1681 L HN 0.360 nan 8.230 nan 0.000 0.433 1682 I N -0.348 120.237 120.570 0.024 0.000 2.454 1682 I HA -0.269 3.901 4.170 0.001 0.000 0.254 1682 I C 2.664 178.787 176.117 0.010 0.000 1.156 1682 I CA 1.322 62.633 61.300 0.020 0.000 1.433 1682 I CB -0.025 37.989 38.000 0.023 0.000 1.082 1682 I HN 0.219 nan 8.210 nan 0.000 0.432 1683 K N 0.218 120.619 120.400 0.003 0.000 2.121 1683 K HA -0.008 4.313 4.320 0.001 0.000 0.203 1683 K C 2.002 178.596 176.600 -0.011 0.000 1.041 1683 K CA 1.718 58.004 56.287 -0.002 0.000 0.969 1683 K CB -0.495 32.001 32.500 -0.006 0.000 0.799 1683 K HN 0.229 nan 8.250 nan 0.000 0.456 1684 T N 3.518 118.058 114.554 -0.022 0.000 2.595 1684 T HA -0.133 4.217 4.350 0.001 0.000 0.264 1684 T C 1.877 176.553 174.700 -0.039 0.000 1.058 1684 T CA 1.207 63.286 62.100 -0.036 0.000 1.166 1684 T CB -0.265 68.578 68.868 -0.042 0.000 0.863 1684 T HN 0.020 nan 8.240 nan 0.000 0.415 1685 L N 1.108 122.316 121.223 -0.024 0.000 2.021 1685 L HA -0.111 4.230 4.340 0.001 0.000 0.215 1685 L C -0.339 176.510 176.870 -0.035 0.000 1.074 1685 L CA 2.212 57.036 54.840 -0.027 0.000 0.760 1685 L CB -2.702 39.352 42.059 -0.009 0.000 0.889 1685 L HN 0.278 nan 8.230 nan 0.000 0.433 1686 P HA -0.064 nan 4.420 nan 0.000 0.222 1686 P C 2.061 179.338 177.300 -0.039 0.000 1.147 1686 P CA 0.676 63.762 63.100 -0.024 0.000 0.790 1686 P CB 0.181 31.876 31.700 -0.009 0.000 0.780 1687 V N -1.089 118.793 119.914 -0.053 0.000 2.599 1687 V HA -0.087 4.033 4.120 0.001 0.000 0.245 1687 V C 2.303 178.278 176.094 -0.198 0.000 1.046 1687 V CA 0.780 63.025 62.300 -0.093 0.000 1.065 1687 V CB -0.921 30.870 31.823 -0.053 0.000 0.703 1687 V HN 0.023 nan 8.190 nan 0.000 0.464 1688 L N 0.998 122.118 121.223 -0.171 0.000 2.010 1688 L HA -0.201 4.139 4.340 0.001 0.000 0.219 1688 L C 0.245 176.989 176.870 -0.210 0.000 1.077 1688 L CA 2.516 57.234 54.840 -0.204 0.000 0.773 1688 L CB -1.748 40.230 42.059 -0.135 0.000 0.892 1688 L HN 0.354 nan 8.230 nan 0.000 0.436 1689 P HA -0.206 nan 4.420 nan 0.000 0.216 1689 P C 1.059 178.274 177.300 -0.142 0.000 1.150 1689 P CA 1.679 64.707 63.100 -0.119 0.000 0.843 1689 P CB -0.012 31.641 31.700 -0.078 0.000 0.787 1690 E N -0.036 120.063 120.200 -0.169 0.000 2.107 1690 E HA -0.047 4.304 4.350 0.001 0.000 0.191 1690 E C 2.317 178.744 176.600 -0.289 0.000 0.982 1690 E CA 0.998 57.305 56.400 -0.155 0.000 0.809 1690 E CB -0.480 29.178 29.700 -0.071 0.000 0.756 1690 E HN 0.202 nan 8.360 nan 0.000 0.459 1691 A N 1.769 124.229 122.820 -0.600 0.000 1.873 1691 A HA -0.192 4.129 4.320 0.001 0.000 0.215 1691 A C 2.140 179.534 177.584 -0.317 0.000 1.186 1691 A CA 1.576 53.132 52.037 -0.802 0.000 0.616 1691 A CB -0.475 17.931 19.000 -0.991 0.000 0.823 1691 A HN 0.119 nan 8.150 nan 0.000 0.442 1692 R N 0.044 120.392 120.500 -0.253 0.000 2.103 1692 R HA -0.209 4.132 4.340 0.001 0.000 0.242 1692 R C 2.188 178.444 176.300 -0.074 0.000 1.142 1692 R CA 2.142 58.157 56.100 -0.142 0.000 0.960 1692 R CB -0.325 29.904 30.300 -0.117 0.000 0.858 1692 R HN 0.500 nan 8.270 nan 0.000 0.439 1693 K N 0.210 120.558 120.400 -0.087 0.000 2.063 1693 K HA -0.155 4.165 4.320 0.001 0.000 0.208 1693 K C 1.835 178.408 176.600 -0.043 0.000 1.048 1693 K CA 1.628 57.883 56.287 -0.053 0.000 0.928 1693 K CB 0.110 32.575 32.500 -0.059 0.000 0.713 1693 K HN 0.047 nan 8.250 nan 0.000 0.442 1694 K N -0.247 120.112 120.400 -0.068 0.000 2.148 1694 K HA -0.062 4.259 4.320 0.001 0.000 0.204 1694 K C 2.127 178.817 176.600 0.150 0.000 1.050 1694 K CA 1.334 57.522 56.287 -0.166 0.000 0.942 1694 K CB -0.549 31.827 32.500 -0.207 0.000 0.724 1694 K HN 0.376 nan 8.250 nan 0.000 0.446 1695 G N 2.151 111.110 108.800 0.265 0.000 2.433 1695 G HA2 -0.245 3.715 3.960 0.001 0.000 0.216 1695 G HA3 -0.245 3.715 3.960 0.001 0.000 0.216 1695 G C 1.150 176.178 174.900 0.213 0.000 1.186 1695 G CA 0.867 46.181 45.100 0.357 0.000 0.779 1695 G HN 0.254 nan 8.290 nan 0.000 0.543 1696 D N 0.653 121.119 120.400 0.110 0.000 2.104 1696 D HA -0.098 4.542 4.640 0.001 0.000 0.194 1696 D C 2.657 179.016 176.300 0.099 0.000 0.994 1696 D CA 0.565 54.613 54.000 0.080 0.000 0.830 1696 D CB -0.422 40.402 40.800 0.040 0.000 0.959 1696 D HN 0.265 nan 8.370 nan 0.000 0.452 1697 L N 0.814 122.099 121.223 0.104 0.000 1.978 1697 L HA -0.209 4.132 4.340 0.001 0.000 0.218 1697 L C 2.605 179.580 176.870 0.176 0.000 1.075 1697 L CA 0.963 55.882 54.840 0.132 0.000 0.767 1697 L CB -0.431 41.713 42.059 0.143 0.000 0.890 1697 L HN 0.138 nan 8.230 nan 0.000 0.434 1698 L N -0.004 121.381 121.223 0.269 0.000 1.990 1698 L HA -0.302 4.039 4.340 0.001 0.000 0.213 1698 L C 2.477 179.409 176.870 0.104 0.000 1.072 1698 L CA 2.208 57.165 54.840 0.195 0.000 0.755 1698 L CB -0.850 41.339 42.059 0.218 0.000 0.889 1698 L HN 0.478 nan 8.230 nan 0.000 0.432 1699 E N -0.332 119.940 120.200 0.120 0.000 2.049 1699 E HA -0.295 4.055 4.350 0.001 0.000 0.198 1699 E C 1.713 178.348 176.600 0.059 0.000 1.007 1699 E CA 2.008 58.459 56.400 0.083 0.000 0.809 1699 E CB 0.049 29.800 29.700 0.086 0.000 0.749 1699 E HN 0.514 nan 8.360 nan 0.000 0.450 1700 D N 0.283 120.720 120.400 0.062 0.000 2.116 1700 D HA -0.181 4.459 4.640 0.001 0.000 0.193 1700 D C 1.920 178.243 176.300 0.038 0.000 0.998 1700 D CA 1.055 55.083 54.000 0.047 0.000 0.836 1700 D CB -0.230 40.599 40.800 0.048 0.000 0.951 1700 D HN 0.216 nan 8.370 nan 0.000 0.449 1701 E N 0.333 120.557 120.200 0.040 0.000 2.031 1701 E HA -0.099 4.252 4.350 0.001 0.000 0.193 1701 E C 2.512 179.118 176.600 0.010 0.000 0.994 1701 E CA 0.344 56.756 56.400 0.021 0.000 0.800 1701 E CB -0.621 29.084 29.700 0.008 0.000 0.752 1701 E HN 0.149 nan 8.360 nan 0.000 0.447 1702 V N 2.034 121.951 119.914 0.005 0.000 2.252 1702 V HA -0.295 3.825 4.120 0.001 0.000 0.249 1702 V C 2.372 178.470 176.094 0.008 0.000 1.056 1702 V CA 2.028 64.325 62.300 -0.005 0.000 1.022 1702 V CB -0.453 31.367 31.823 -0.004 0.000 0.641 1702 V HN 0.256 nan 8.190 nan 0.000 0.445 1703 K N -0.526 119.886 120.400 0.020 0.000 2.103 1703 K HA -0.164 4.156 4.320 0.001 0.000 0.207 1703 K C 2.099 178.716 176.600 0.029 0.000 1.048 1703 K CA 1.412 57.714 56.287 0.025 0.000 0.930 1703 K CB -0.327 32.190 32.500 0.028 0.000 0.716 1703 K HN 0.387 nan 8.250 nan 0.000 0.444 1704 L N 0.400 121.640 121.223 0.027 0.000 2.027 1704 L HA -0.186 4.154 4.340 0.001 0.000 0.206 1704 L C 2.456 179.350 176.870 0.040 0.000 1.074 1704 L CA 1.352 56.211 54.840 0.031 0.000 0.745 1704 L CB -0.733 41.342 42.059 0.026 0.000 0.898 1704 L HN 0.217 nan 8.230 nan 0.000 0.433 1705 T N 0.272 114.846 114.554 0.033 0.000 2.684 1705 T HA -0.208 4.143 4.350 0.001 0.000 0.267 1705 T C 1.900 176.646 174.700 0.078 0.000 1.036 1705 T CA 1.539 63.668 62.100 0.047 0.000 1.148 1705 T CB -0.282 68.594 68.868 0.014 0.000 0.863 1705 T HN 0.143 nan 8.240 nan 0.000 0.436 1706 I N 0.447 121.045 120.570 0.047 0.000 2.113 1706 I HA -0.290 3.880 4.170 0.001 0.000 0.242 1706 I C 2.536 178.725 176.117 0.120 0.000 1.064 1706 I CA 1.543 62.885 61.300 0.071 0.000 1.320 1706 I CB -0.320 37.703 38.000 0.037 0.000 1.028 1706 I HN 0.228 nan 8.210 nan 0.000 0.406 1707 M N 0.559 120.208 119.600 0.081 0.000 2.163 1707 M HA -0.325 4.156 4.480 0.001 0.000 0.258 1707 M C 2.143 178.491 176.300 0.080 0.000 1.071 1707 M CA 2.203 57.547 55.300 0.072 0.000 1.093 1707 M CB -0.271 32.360 32.600 0.051 0.000 1.285 1707 M HN 0.121 nan 8.290 nan 0.000 0.420 1708 E N -0.864 119.387 120.200 0.085 0.000 2.058 1708 E HA -0.233 4.118 4.350 0.001 0.000 0.194 1708 E C 1.763 178.416 176.600 0.088 0.000 0.997 1708 E CA 1.795 58.243 56.400 0.080 0.000 0.801 1708 E CB -0.507 29.243 29.700 0.083 0.000 0.746 1708 E HN 0.553 nan 8.360 nan 0.000 0.450 1709 F N 2.350 122.282 119.950 -0.031 0.000 2.025 1709 F HA -0.256 4.271 4.527 0.001 0.000 0.297 1709 F C 2.083 177.746 175.800 -0.228 0.000 1.132 1709 F CA 1.913 59.857 58.000 -0.094 0.000 1.191 1709 F CB -0.197 38.754 39.000 -0.081 0.000 0.963 1709 F HN -0.071 nan 8.300 nan 0.000 0.481 1710 E N -0.553 119.593 120.200 -0.089 0.000 2.097 1710 E HA -0.280 4.070 4.350 0.001 0.000 0.196 1710 E C 2.385 178.740 176.600 -0.409 0.000 1.000 1710 E CA 1.581 57.787 56.400 -0.324 0.000 0.804 1710 E CB -0.724 28.965 29.700 -0.018 0.000 0.740 1710 E HN 0.407 nan 8.360 nan 0.000 0.454 1711 S N 0.603 116.241 115.700 -0.102 0.000 2.419 1711 S HA -0.126 4.345 4.470 0.001 0.000 0.233 1711 S C 1.869 176.414 174.600 -0.091 0.000 1.016 1711 S CA 0.564 58.779 58.200 0.025 0.000 0.974 1711 S CB -0.077 63.148 63.200 0.043 0.000 0.786 1711 S HN 0.153 nan 8.310 nan 0.000 0.492 1712 L N 1.241 122.338 121.223 -0.209 0.000 2.072 1712 L HA 0.145 4.486 4.340 0.001 0.000 0.205 1712 L C 2.134 178.876 176.870 -0.213 0.000 1.079 1712 L CA 1.744 56.497 54.840 -0.145 0.000 0.752 1712 L CB -0.655 41.321 42.059 -0.139 0.000 0.906 1712 L HN 0.342 nan 8.230 nan 0.000 0.436 1713 M N -1.270 117.886 119.600 -0.740 0.000 2.086 1713 M HA -0.211 4.270 4.480 0.001 0.000 0.261 1713 M C 2.246 178.339 176.300 -0.345 0.000 1.067 1713 M CA 1.556 56.350 55.300 -0.843 0.000 1.116 1713 M CB -0.786 31.069 32.600 -1.241 0.000 1.348 1713 M HN 0.326 nan 8.290 nan 0.000 0.407 1714 H N -0.829 118.142 119.070 -0.164 0.000 2.457 1714 H HA -0.087 4.469 4.556 0.001 0.000 0.297 1714 H C 2.156 177.449 175.328 -0.058 0.000 1.092 1714 H CA 1.609 57.606 56.048 -0.086 0.000 1.309 1714 H CB -0.907 28.803 29.762 -0.088 0.000 1.382 1714 H HN 0.370 nan 8.280 nan 0.000 0.535 1715 T N 0.210 114.777 114.554 0.023 0.000 2.867 1715 T HA -0.141 4.209 4.350 0.001 0.000 0.268 1715 T C 0.955 175.529 174.700 -0.210 0.000 1.057 1715 T CA 1.002 63.045 62.100 -0.095 0.000 1.136 1715 T CB -0.213 68.580 68.868 -0.125 0.000 0.874 1715 T HN 0.393 nan 8.240 nan 0.000 0.466 1716 Y N 0.166 120.509 120.300 0.070 0.000 2.571 1716 Y HA 0.415 4.966 4.550 0.001 0.000 0.275 1716 Y C 1.600 177.559 175.900 0.097 0.000 1.179 1716 Y CA -0.468 57.709 58.100 0.127 0.000 1.242 1716 Y CB 0.080 38.729 38.460 0.315 0.000 1.126 1716 Y HN 0.244 nan 8.280 nan 0.000 0.524 1717 G N 0.175 109.056 108.800 0.134 0.000 2.160 1717 G HA2 -0.242 3.718 3.960 0.001 0.000 0.251 1717 G HA3 -0.242 3.718 3.960 0.001 0.000 0.251 1717 G C -0.109 174.856 174.900 0.108 0.000 1.008 1717 G CA -0.044 45.118 45.100 0.103 0.000 0.724 1717 G HN 0.234 nan 8.290 nan 0.000 0.514 1718 E N 0.135 120.387 120.200 0.088 0.000 2.222 1718 E HA 0.424 4.775 4.350 0.001 0.000 0.272 1718 E C -0.429 176.148 176.600 -0.039 0.000 0.982 1718 E CA -0.786 55.636 56.400 0.036 0.000 0.842 1718 E CB 1.408 31.136 29.700 0.046 0.000 1.144 1718 E HN 0.274 nan 8.360 nan 0.000 0.397 1719 D N 0.312 120.710 120.400 -0.003 0.000 2.316 1719 D HA 0.007 4.647 4.640 0.001 0.000 0.245 1719 D C 0.996 177.266 176.300 -0.050 0.000 1.171 1719 D CA -0.081 53.932 54.000 0.022 0.000 0.856 1719 D CB 0.732 41.566 40.800 0.058 0.000 1.090 1719 D HN 0.275 nan 8.370 nan 0.000 0.476 1720 S N 1.917 117.574 115.700 -0.071 0.000 2.507 1720 S HA -0.039 4.431 4.470 0.001 0.000 0.235 1720 S C 1.894 176.504 174.600 0.016 0.000 0.988 1720 S CA 0.582 58.715 58.200 -0.111 0.000 0.944 1720 S CB -0.067 63.073 63.200 -0.101 0.000 0.762 1720 S HN 0.504 nan 8.310 nan 0.000 0.526 1721 G N 1.288 110.120 108.800 0.053 0.000 2.396 1721 G HA2 -0.040 3.921 3.960 0.001 0.000 0.214 1721 G HA3 -0.040 3.921 3.960 0.001 0.000 0.214 1721 G C 0.422 175.354 174.900 0.053 0.000 1.166 1721 G CA 0.255 45.388 45.100 0.055 0.000 0.793 1721 G HN 0.539 nan 8.290 nan 0.000 0.533 1722 D N 0.778 121.212 120.400 0.056 0.000 2.426 1722 D HA -0.006 4.635 4.640 0.001 0.000 0.261 1722 D C 1.478 177.830 176.300 0.086 0.000 1.245 1722 D CA 0.034 54.081 54.000 0.079 0.000 0.917 1722 D CB 0.829 41.686 40.800 0.096 0.000 1.123 1722 D HN 0.255 nan 8.370 nan 0.000 0.508 1723 K N 3.774 124.235 120.400 0.102 0.000 2.001 1723 K HA -0.254 4.066 4.320 0.001 0.000 0.214 1723 K C 1.874 178.554 176.600 0.134 0.000 1.050 1723 K CA 1.240 57.590 56.287 0.105 0.000 0.934 1723 K CB -0.290 32.276 32.500 0.110 0.000 0.718 1723 K HN 0.469 nan 8.250 nan 0.000 0.443 1724 F N 1.270 121.249 119.950 0.049 0.000 2.134 1724 F HA -0.149 4.378 4.527 0.001 0.000 0.299 1724 F C 2.065 177.909 175.800 0.074 0.000 1.097 1724 F CA 1.481 59.516 58.000 0.058 0.000 1.264 1724 F CB -0.688 38.342 39.000 0.050 0.000 1.001 1724 F HN 0.160 nan 8.300 nan 0.000 0.479 1725 A N 0.558 123.361 122.820 -0.029 0.000 1.917 1725 A HA -0.254 4.066 4.320 0.001 0.000 0.219 1725 A C 2.326 179.845 177.584 -0.109 0.000 1.182 1725 A CA 2.103 54.080 52.037 -0.100 0.000 0.633 1725 A CB -0.772 18.240 19.000 0.020 0.000 0.819 1725 A HN 0.473 nan 8.150 nan 0.000 0.448 1726 K N -0.602 119.773 120.400 -0.042 0.000 2.026 1726 K HA -0.080 4.240 4.320 0.001 0.000 0.208 1726 K C 1.872 178.508 176.600 0.060 0.000 1.048 1726 K CA 1.633 57.952 56.287 0.053 0.000 0.929 1726 K CB -0.415 32.143 32.500 0.097 0.000 0.713 1726 K HN 0.575 nan 8.250 nan 0.000 0.439 1727 I N 1.247 121.787 120.570 -0.049 0.000 2.286 1727 I HA -0.237 3.933 4.170 0.001 0.000 0.248 1727 I C 2.261 178.320 176.117 -0.098 0.000 1.115 1727 I CA 1.377 62.644 61.300 -0.055 0.000 1.392 1727 I CB -0.300 37.681 38.000 -0.032 0.000 1.065 1727 I HN 0.169 nan 8.210 nan 0.000 0.418 1728 S N -0.174 115.337 115.700 -0.316 0.000 2.575 1728 S HA 0.007 4.478 4.470 0.001 0.000 0.215 1728 S C 1.737 176.295 174.600 -0.069 0.000 0.966 1728 S CA -0.316 57.719 58.200 -0.274 0.000 0.911 1728 S CB -0.592 62.203 63.200 -0.675 0.000 0.780 1728 S HN 0.351 nan 8.310 nan 0.000 0.514 1729 F N 2.517 122.358 119.950 -0.181 0.000 2.043 1729 F HA -0.110 4.417 4.527 0.001 0.000 0.297 1729 F C 1.632 177.443 175.800 0.018 0.000 1.118 1729 F CA 1.513 59.415 58.000 -0.163 0.000 1.202 1729 F CB -0.667 38.138 39.000 -0.325 0.000 0.965 1729 F HN 0.273 nan 8.300 nan 0.000 0.482 1730 F N -0.113 119.974 119.950 0.229 0.000 2.325 1730 F HA -0.087 4.440 4.527 0.001 0.000 0.299 1730 F C 2.449 178.311 175.800 0.104 0.000 1.090 1730 F CA 0.927 59.013 58.000 0.143 0.000 1.392 1730 F CB -0.483 38.615 39.000 0.164 0.000 1.053 1730 F HN -0.098 nan 8.300 nan 0.000 0.521 1731 K N 1.395 121.936 120.400 0.235 0.000 2.032 1731 K HA -0.220 4.100 4.320 0.001 0.000 0.209 1731 K C 1.902 178.566 176.600 0.106 0.000 1.048 1731 K CA 1.587 57.965 56.287 0.152 0.000 0.927 1731 K CB -0.074 32.488 32.500 0.102 0.000 0.712 1731 K HN 0.155 nan 8.250 nan 0.000 0.441 1732 K N -0.265 120.138 120.400 0.005 0.000 2.044 1732 K HA -0.185 4.135 4.320 0.001 0.000 0.210 1732 K C 2.099 178.635 176.600 -0.107 0.000 1.049 1732 K CA 2.050 58.270 56.287 -0.113 0.000 0.927 1732 K CB -0.338 31.985 32.500 -0.295 0.000 0.713 1732 K HN 0.144 nan 8.250 nan 0.000 0.443 1733 F N 0.939 120.860 119.950 -0.048 0.000 2.146 1733 F HA -0.151 4.377 4.527 0.001 0.000 0.298 1733 F C 2.626 178.530 175.800 0.173 0.000 1.096 1733 F CA 1.062 59.087 58.000 0.041 0.000 1.275 1733 F CB -0.475 38.482 39.000 -0.072 0.000 1.008 1733 F HN 0.049 nan 8.300 nan 0.000 0.480 1734 A N 0.165 123.171 122.820 0.310 0.000 1.858 1734 A HA -0.194 4.127 4.320 0.001 0.000 0.216 1734 A C 2.013 179.711 177.584 0.189 0.000 1.190 1734 A CA 2.054 54.221 52.037 0.217 0.000 0.617 1734 A CB -0.892 18.205 19.000 0.161 0.000 0.827 1734 A HN 0.264 nan 8.150 nan 0.000 0.443 1735 D N -0.946 119.556 120.400 0.170 0.000 2.104 1735 D HA -0.171 4.470 4.640 0.001 0.000 0.194 1735 D C 1.650 178.062 176.300 0.186 0.000 0.994 1735 D CA 1.517 55.605 54.000 0.146 0.000 0.830 1735 D CB -0.557 40.318 40.800 0.124 0.000 0.959 1735 D HN 0.446 nan 8.370 nan 0.000 0.452 1736 F N 1.604 121.603 119.950 0.082 0.000 2.091 1736 F HA -0.195 4.332 4.527 0.001 0.000 0.299 1736 F C 2.248 178.178 175.800 0.217 0.000 1.103 1736 F CA 1.165 59.236 58.000 0.118 0.000 1.228 1736 F CB -0.474 38.584 39.000 0.096 0.000 0.984 1736 F HN -0.121 nan 8.300 nan 0.000 0.477 1737 I N 0.462 121.152 120.570 0.200 0.000 2.163 1737 I HA -0.387 3.784 4.170 0.001 0.000 0.243 1737 I C 2.185 178.311 176.117 0.016 0.000 1.085 1737 I CA 1.510 62.870 61.300 0.100 0.000 1.347 1737 I CB -0.666 37.456 38.000 0.203 0.000 1.044 1737 I HN 0.218 nan 8.210 nan 0.000 0.408 1738 N N 0.566 119.292 118.700 0.044 0.000 2.120 1738 N HA -0.174 4.567 4.740 0.001 0.000 0.188 1738 N C 1.745 177.257 175.510 0.003 0.000 1.024 1738 N CA 1.198 54.264 53.050 0.027 0.000 0.852 1738 N CB -0.323 38.190 38.487 0.044 0.000 1.003 1738 N HN 0.384 nan 8.380 nan 0.000 0.424 1739 E N 0.297 120.490 120.200 -0.010 0.000 2.085 1739 E HA -0.201 4.150 4.350 0.001 0.000 0.194 1739 E C 1.844 178.399 176.600 -0.074 0.000 0.994 1739 E CA 0.770 57.152 56.400 -0.030 0.000 0.801 1739 E CB -0.444 29.249 29.700 -0.011 0.000 0.743 1739 E HN 0.477 nan 8.360 nan 0.000 0.453 1740 Y N 1.809 121.921 120.300 -0.313 0.000 2.145 1740 Y HA -0.227 4.324 4.550 0.001 0.000 0.286 1740 Y C 2.333 178.147 175.900 -0.143 0.000 1.145 1740 Y CA 1.866 59.798 58.100 -0.280 0.000 1.148 1740 Y CB 0.044 38.283 38.460 -0.369 0.000 0.981 1740 Y HN -0.083 nan 8.280 nan 0.000 0.507 1741 K N 0.138 120.571 120.400 0.055 0.000 2.032 1741 K HA -0.255 4.065 4.320 0.001 0.000 0.209 1741 K C 2.230 178.798 176.600 -0.053 0.000 1.048 1741 K CA 1.898 58.187 56.287 0.003 0.000 0.927 1741 K CB -0.226 32.275 32.500 0.002 0.000 0.712 1741 K HN 0.212 nan 8.250 nan 0.000 0.441 1742 K N 0.671 121.043 120.400 -0.047 0.000 2.063 1742 K HA -0.172 4.149 4.320 0.001 0.000 0.208 1742 K C 2.073 178.627 176.600 -0.077 0.000 1.048 1742 K CA 1.390 57.650 56.287 -0.045 0.000 0.928 1742 K CB -0.120 32.367 32.500 -0.022 0.000 0.713 1742 K HN 0.150 nan 8.250 nan 0.000 0.442 1743 A N 1.091 123.836 122.820 -0.123 0.000 1.877 1743 A HA -0.251 4.070 4.320 0.001 0.000 0.216 1743 A C 2.122 179.587 177.584 -0.199 0.000 1.186 1743 A CA 1.780 53.718 52.037 -0.165 0.000 0.620 1743 A CB -0.775 18.082 19.000 -0.238 0.000 0.822 1743 A HN 0.586 nan 8.150 nan 0.000 0.443 1744 Q N -0.543 119.101 119.800 -0.260 0.000 2.135 1744 Q HA -0.175 4.166 4.340 0.001 0.000 0.204 1744 Q C 2.155 178.081 176.000 -0.123 0.000 0.981 1744 Q CA 1.771 57.447 55.803 -0.211 0.000 0.856 1744 Q CB -0.369 28.269 28.738 -0.166 0.000 0.902 1744 Q HN 0.630 nan 8.270 nan 0.000 0.425 1745 A N 0.720 123.483 122.820 -0.095 0.000 1.845 1745 A HA -0.287 4.033 4.320 0.001 0.000 0.215 1745 A C 1.961 179.507 177.584 -0.064 0.000 1.195 1745 A CA 1.831 53.830 52.037 -0.065 0.000 0.616 1745 A CB -0.828 18.144 19.000 -0.047 0.000 0.832 1745 A HN 0.587 nan 8.150 nan 0.000 0.443 1746 Q N -0.148 119.614 119.800 -0.063 0.000 2.112 1746 Q HA -0.225 4.116 4.340 0.001 0.000 0.206 1746 Q C 1.901 177.862 176.000 -0.065 0.000 0.987 1746 Q CA 1.573 57.344 55.803 -0.052 0.000 0.858 1746 Q CB -0.414 28.299 28.738 -0.042 0.000 0.905 1746 Q HN 0.655 nan 8.270 nan 0.000 0.420 1747 N N 0.835 119.478 118.700 -0.094 0.000 2.120 1747 N HA -0.114 4.626 4.740 0.001 0.000 0.188 1747 N C 1.890 177.345 175.510 -0.091 0.000 1.024 1747 N CA 1.017 54.002 53.050 -0.109 0.000 0.852 1747 N CB -0.315 38.083 38.487 -0.148 0.000 1.003 1747 N HN 0.240 nan 8.380 nan 0.000 0.424 1748 L N 0.712 121.885 121.223 -0.083 0.000 2.079 1748 L HA -0.142 4.199 4.340 0.001 0.000 0.210 1748 L C 2.379 179.211 176.870 -0.062 0.000 1.081 1748 L CA 1.026 55.824 54.840 -0.070 0.000 0.752 1748 L CB -0.478 41.544 42.059 -0.062 0.000 0.896 1748 L HN 0.141 nan 8.230 nan 0.000 0.433 1749 A N 0.153 122.940 122.820 -0.055 0.000 1.825 1749 A HA -0.127 4.194 4.320 0.001 0.000 0.214 1749 A C 2.569 180.124 177.584 -0.047 0.000 1.206 1749 A CA 1.552 53.562 52.037 -0.046 0.000 0.609 1749 A CB -1.025 17.955 19.000 -0.034 0.000 0.851 1749 A HN 0.342 nan 8.150 nan 0.000 0.445 1750 A N -0.191 122.606 122.820 -0.038 0.000 1.915 1750 A HA -0.301 4.019 4.320 0.001 0.000 0.220 1750 A C 1.898 179.459 177.584 -0.038 0.000 1.198 1750 A CA 2.191 54.213 52.037 -0.024 0.000 0.647 1750 A CB -0.847 18.138 19.000 -0.024 0.000 0.825 1750 A HN 0.687 nan 8.150 nan 0.000 0.456 1751 E N -1.064 119.100 120.200 -0.059 0.000 2.110 1751 E HA -0.215 4.136 4.350 0.001 0.000 0.193 1751 E C 2.114 178.668 176.600 -0.076 0.000 0.988 1751 E CA 1.125 57.485 56.400 -0.066 0.000 0.804 1751 E CB -0.140 29.514 29.700 -0.077 0.000 0.745 1751 E HN 0.838 nan 8.360 nan 0.000 0.458 1752 E N 1.124 121.274 120.200 -0.083 0.000 2.051 1752 E HA -0.235 4.115 4.350 0.001 0.000 0.192 1752 E C 1.789 178.292 176.600 -0.161 0.000 0.991 1752 E CA 1.106 57.443 56.400 -0.104 0.000 0.799 1752 E CB 0.115 29.761 29.700 -0.090 0.000 0.748 1752 E HN 0.279 nan 8.360 nan 0.000 0.449 1753 E N 0.472 120.566 120.200 -0.177 0.000 2.058 1753 E HA -0.226 4.124 4.350 0.001 0.000 0.194 1753 E C 2.089 178.433 176.600 -0.425 0.000 0.997 1753 E CA 1.418 57.604 56.400 -0.357 0.000 0.801 1753 E CB -0.139 29.455 29.700 -0.177 0.000 0.746 1753 E HN 0.391 nan 8.360 nan 0.000 0.450 1754 E N 0.516 120.646 120.200 -0.116 0.000 2.204 1754 E HA -0.136 4.215 4.350 0.001 0.000 0.194 1754 E C 2.096 178.660 176.600 -0.060 0.000 0.989 1754 E CA 0.344 56.749 56.400 0.008 0.000 0.824 1754 E CB -0.046 29.677 29.700 0.037 0.000 0.756 1754 E HN 0.124 nan 8.360 nan 0.000 0.477 1755 R N 0.257 120.690 120.500 -0.112 0.000 2.148 1755 R HA -0.113 4.227 4.340 0.001 0.000 0.227 1755 R C 2.106 178.315 176.300 -0.152 0.000 1.103 1755 R CA 0.500 56.534 56.100 -0.110 0.000 0.983 1755 R CB -0.001 30.236 30.300 -0.105 0.000 0.874 1755 R HN 0.115 nan 8.270 nan 0.000 0.451 1756 L N -0.612 120.476 121.223 -0.226 0.000 2.056 1756 L HA -0.056 4.285 4.340 0.001 0.000 0.202 1756 L C 1.600 178.368 176.870 -0.171 0.000 1.086 1756 L CA 1.512 56.195 54.840 -0.263 0.000 0.758 1756 L CB -0.910 40.934 42.059 -0.359 0.000 0.912 1756 L HN 0.100 nan 8.230 nan 0.000 0.446 1757 Y N -0.179 120.110 120.300 -0.019 0.000 2.132 1757 Y HA -0.334 4.216 4.550 0.001 0.000 0.280 1757 Y C 2.476 178.361 175.900 -0.025 0.000 1.193 1757 Y CA 1.439 59.541 58.100 0.004 0.000 1.157 1757 Y CB -0.548 37.917 38.460 0.008 0.000 0.966 1757 Y HN 0.241 nan 8.280 nan 0.000 0.511 1758 I N -0.042 120.584 120.570 0.093 0.000 2.830 1758 I HA -0.231 3.939 4.170 0.001 0.000 0.263 1758 I C 2.400 178.499 176.117 -0.029 0.000 1.230 1758 I CA 1.119 62.437 61.300 0.030 0.000 1.480 1758 I CB -0.260 37.743 38.000 0.006 0.000 1.095 1758 I HN 0.220 nan 8.210 nan 0.000 0.455 1759 K N 0.234 120.562 120.400 -0.119 0.000 2.044 1759 K HA -0.044 4.276 4.320 0.001 0.000 0.204 1759 K C 0.959 177.451 176.600 -0.181 0.000 1.045 1759 K CA 0.730 56.879 56.287 -0.230 0.000 0.951 1759 K CB 0.188 32.417 32.500 -0.451 0.000 0.738 1759 K HN 0.212 nan 8.250 nan 0.000 0.443 1760 H N 0.000 119.100 119.070 0.049 0.000 2.539 1760 H HA 0.000 4.556 4.556 0.001 0.000 0.296 1760 H CA 0.000 56.080 56.048 0.054 0.000 1.023 1760 H CB 0.000 29.801 29.762 0.065 0.000 1.292 1760 H HN 0.000 nan 8.280 nan 0.000 0.496