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 1y64_1_B 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 0.000 176.589 176.600 -0.018 0.000 0.988 1350 K CA 0.000 56.297 56.287 0.017 0.000 0.838 1350 K CB 0.000 32.500 32.500 0.000 0.000 1.064 1351 Y N 3.212 123.498 120.300 -0.022 0.000 2.346 1351 Y HA 0.189 4.739 4.550 0.000 0.000 0.330 1351 Y C -2.002 173.853 175.900 -0.074 0.000 1.178 1351 Y CA -1.335 56.746 58.100 -0.030 0.000 1.331 1351 Y CB 0.360 38.818 38.460 -0.004 0.000 1.253 1351 Y HN -0.090 nan 8.280 nan 0.000 0.529 1352 P HA 0.353 nan 4.420 nan 0.000 0.275 1352 P C -1.104 176.202 177.300 0.009 0.000 1.227 1352 P CA -0.299 62.727 63.100 -0.124 0.000 0.781 1352 P CB 0.738 32.269 31.700 -0.281 0.000 0.906 1353 R N 2.099 122.589 120.500 -0.017 0.000 2.651 1353 R HA 0.438 4.778 4.340 -0.000 0.000 0.278 1353 R C -2.338 173.994 176.300 0.052 0.000 1.010 1353 R CA -1.638 54.481 56.100 0.032 0.000 0.896 1353 R CB 1.551 31.870 30.300 0.032 0.000 1.211 1353 R HN 0.475 nan 8.270 nan 0.000 0.456 1354 P HA 0.023 nan 4.420 nan 0.000 0.272 1354 P C -0.048 177.331 177.300 0.131 0.000 1.223 1354 P CA -0.102 63.056 63.100 0.096 0.000 0.784 1354 P CB 0.998 32.741 31.700 0.072 0.000 0.923 1355 H N 0.698 119.788 119.070 0.033 0.000 2.403 1355 H HA 0.107 4.663 4.556 -0.000 0.000 0.298 1355 H C 0.146 175.486 175.328 0.019 0.000 1.059 1355 H CA 0.591 56.654 56.048 0.025 0.000 1.363 1355 H CB 0.617 30.396 29.762 0.029 0.000 1.410 1355 H HN 0.351 nan 8.280 nan 0.000 0.528 1356 K N 1.140 121.498 120.400 -0.069 0.000 2.281 1356 K HA 0.210 4.530 4.320 -0.000 0.000 0.242 1356 K C -0.614 175.957 176.600 -0.048 0.000 0.971 1356 K CA -0.931 55.272 56.287 -0.139 0.000 0.834 1356 K CB 2.116 34.530 32.500 -0.142 0.000 1.181 1356 K HN -0.100 nan 8.250 nan 0.000 0.435 1357 K N 1.565 121.934 120.400 -0.052 0.000 2.527 1357 K HA 0.085 4.405 4.320 -0.000 0.000 0.278 1357 K C -0.554 176.038 176.600 -0.013 0.000 0.981 1357 K CA 0.554 56.822 56.287 -0.031 0.000 1.009 1357 K CB 0.114 32.595 32.500 -0.033 0.000 0.895 1357 K HN 0.371 nan 8.250 nan 0.000 0.493 1358 L N 2.601 123.815 121.223 -0.015 0.000 2.319 1358 L HA 0.398 4.738 4.340 -0.000 0.000 0.267 1358 L C 0.186 177.046 176.870 -0.016 0.000 1.011 1358 L CA -1.135 53.709 54.840 0.006 0.000 0.818 1358 L CB 1.637 43.701 42.059 0.008 0.000 1.316 1358 L HN 0.434 nan 8.230 nan 0.000 0.432 1359 K N 2.721 123.140 120.400 0.031 0.000 2.395 1359 K HA 0.029 4.349 4.320 -0.000 0.000 0.283 1359 K C -0.408 176.119 176.600 -0.122 0.000 1.068 1359 K CA -0.228 56.062 56.287 0.005 0.000 1.039 1359 K CB 0.239 32.807 32.500 0.113 0.000 0.924 1359 K HN 0.352 nan 8.250 nan 0.000 0.468 1360 Q N 2.073 121.768 119.800 -0.175 0.000 2.395 1360 Q HA -0.013 4.327 4.340 -0.000 0.000 0.271 1360 Q C -0.057 175.672 176.000 -0.451 0.000 1.026 1360 Q CA -0.022 55.556 55.803 -0.375 0.000 0.900 1360 Q CB 0.590 29.018 28.738 -0.516 0.000 1.266 1360 Q HN 0.368 nan 8.270 nan 0.000 0.430 1361 L N 3.136 123.991 121.223 -0.613 0.000 2.504 1361 L HA 0.204 4.544 4.340 -0.000 0.000 0.249 1361 L C -0.809 175.693 176.870 -0.614 0.000 1.120 1361 L CA -0.448 54.051 54.840 -0.567 0.000 0.997 1361 L CB -0.203 41.430 42.059 -0.709 0.000 1.349 1361 L HN 0.470 nan 8.230 nan 0.000 0.439 1362 H N 2.844 121.767 119.070 -0.246 0.000 3.596 1362 H HA 0.106 4.662 4.556 -0.000 0.000 0.231 1362 H C -0.623 174.711 175.328 0.011 0.000 1.234 1362 H CA 0.693 56.668 56.048 -0.122 0.000 1.498 1362 H CB -0.586 29.143 29.762 -0.056 0.000 1.668 1362 H HN 0.583 nan 8.280 nan 0.000 0.555 1363 W N 1.065 122.351 121.300 -0.024 0.000 2.594 1363 W HA 0.505 5.165 4.660 -0.000 0.000 0.365 1363 W C -0.244 176.243 176.519 -0.053 0.000 1.196 1363 W CA -1.824 55.493 57.345 -0.046 0.000 1.258 1363 W CB 0.532 29.935 29.460 -0.094 0.000 1.405 1363 W HN 0.276 nan 8.180 nan 0.000 0.640 1364 E N 2.484 122.780 120.200 0.159 0.000 2.063 1364 E HA 0.135 4.485 4.350 -0.000 0.000 0.265 1364 E C -0.059 176.393 176.600 -0.247 0.000 0.919 1364 E CA -0.440 55.949 56.400 -0.018 0.000 0.756 1364 E CB 0.505 30.200 29.700 -0.010 0.000 1.120 1364 E HN 0.462 nan 8.360 nan 0.000 0.414 1365 K N 2.751 122.938 120.400 -0.355 0.000 2.380 1365 K HA 0.106 4.426 4.320 -0.000 0.000 0.267 1365 K C -0.044 176.338 176.600 -0.364 0.000 0.990 1365 K CA -0.567 55.401 56.287 -0.530 0.000 0.946 1365 K CB 0.641 32.873 32.500 -0.448 0.000 0.937 1365 K HN 0.201 nan 8.250 nan 0.000 0.491 1366 L N 1.970 122.934 121.223 -0.431 0.000 2.309 1366 L HA 0.214 4.554 4.340 -0.000 0.000 0.282 1366 L C 0.280 177.002 176.870 -0.245 0.000 1.036 1366 L CA -0.008 54.661 54.840 -0.285 0.000 0.806 1366 L CB 1.057 42.943 42.059 -0.288 0.000 1.220 1366 L HN 0.722 nan 8.230 nan 0.000 0.429 1367 D N 2.464 122.774 120.400 -0.149 0.000 2.196 1367 D HA 0.008 4.648 4.640 -0.000 0.000 0.228 1367 D C 0.101 176.354 176.300 -0.077 0.000 1.028 1367 D CA 0.790 54.723 54.000 -0.110 0.000 0.924 1367 D CB 0.165 40.920 40.800 -0.076 0.000 1.025 1367 D HN 0.561 nan 8.370 nan 0.000 0.438 1368 C N 1.627 120.900 119.300 -0.046 0.000 2.596 1368 C HA 0.053 4.513 4.460 -0.000 0.000 0.414 1368 C C 1.982 176.971 174.990 -0.002 0.000 1.396 1368 C CA 0.204 59.210 59.018 -0.019 0.000 1.698 1368 C CB 0.267 28.002 27.740 -0.009 0.000 2.572 1368 C HN 0.400 nan 8.230 nan 0.000 0.604 1369 T N 1.734 116.299 114.554 0.018 0.000 3.044 1369 T HA -0.045 4.305 4.350 -0.000 0.000 0.255 1369 T C 1.292 176.034 174.700 0.070 0.000 1.073 1369 T CA 0.474 62.614 62.100 0.068 0.000 1.125 1369 T CB -0.192 68.720 68.868 0.073 0.000 0.908 1369 T HN 0.785 nan 8.240 nan 0.000 0.480 1370 D N 2.015 122.439 120.400 0.039 0.000 2.210 1370 D HA -0.217 4.423 4.640 -0.000 0.000 0.613 1370 D C 0.728 177.047 176.300 0.032 0.000 0.583 1370 D CA 1.444 55.461 54.000 0.030 0.000 1.621 1370 D CB -0.621 40.192 40.800 0.021 0.000 0.176 1370 D HN 0.292 nan 8.370 nan 0.000 0.189 1371 N N 0.486 119.203 118.700 0.029 0.000 2.699 1371 N HA 0.136 4.876 4.740 -0.000 0.000 0.317 1371 N C 0.180 175.701 175.510 0.019 0.000 1.661 1371 N CA 0.116 53.177 53.050 0.019 0.000 0.979 1371 N CB 0.750 39.242 38.487 0.009 0.000 1.329 1371 N HN 0.312 nan 8.380 nan 0.000 0.497 1372 S N -0.228 115.497 115.700 0.042 0.000 2.792 1372 S HA 0.377 4.847 4.470 -0.000 0.000 0.177 1372 S C 1.181 175.731 174.600 -0.083 0.000 1.171 1372 S CA 0.117 58.343 58.200 0.043 0.000 1.839 1372 S CB 0.258 63.593 63.200 0.226 0.000 0.559 1372 S HN 0.184 nan 8.310 nan 0.000 0.458 1373 I N -2.192 118.234 120.570 -0.240 0.000 4.983 1373 I HA 0.347 4.517 4.170 -0.000 0.000 0.346 1373 I C -0.619 175.226 176.117 -0.453 0.000 1.261 1373 I CA -0.432 60.612 61.300 -0.427 0.000 1.406 1373 I CB 0.101 37.688 38.000 -0.688 0.000 1.529 1373 I HN 0.355 nan 8.210 nan 0.000 0.524 1374 W N 1.891 123.172 121.300 -0.031 0.000 2.359 1374 W HA 0.620 5.280 4.660 -0.000 0.000 0.344 1374 W C 1.394 177.906 176.519 -0.012 0.000 1.170 1374 W CA 0.664 57.993 57.345 -0.027 0.000 1.296 1374 W CB 0.474 29.900 29.460 -0.056 0.000 1.197 1374 W HN 0.152 nan 8.180 nan 0.000 0.618 1375 G N -0.416 108.500 108.800 0.192 0.000 2.284 1375 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.216 1375 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.216 1375 G C 0.866 175.811 174.900 0.074 0.000 1.009 1375 G CA 0.298 45.466 45.100 0.113 0.000 0.625 1375 G HN 0.794 nan 8.290 nan 0.000 0.501 1376 T N -0.432 114.156 114.554 0.056 0.000 3.219 1376 T HA 0.433 4.783 4.350 -0.000 0.000 0.249 1376 T C 2.347 177.085 174.700 0.063 0.000 1.099 1376 T CA 1.486 63.610 62.100 0.039 0.000 0.988 1376 T CB 0.072 68.945 68.868 0.009 0.000 0.999 1376 T HN 2.193 nan 8.240 nan 0.000 0.550 1377 G N 2.118 110.974 108.800 0.093 0.000 2.205 1377 G HA2 -0.418 3.542 3.960 -0.000 0.000 0.269 1377 G HA3 -0.418 3.542 3.960 -0.000 0.000 0.269 1377 G C 1.009 175.996 174.900 0.146 0.000 0.977 1377 G CA 0.933 46.100 45.100 0.112 0.000 0.652 1377 G HN 0.586 nan 8.290 nan 0.000 0.539 1378 K N 0.379 120.873 120.400 0.157 0.000 2.077 1378 K HA -0.135 4.185 4.320 -0.000 0.000 0.213 1378 K C 3.014 179.852 176.600 0.396 0.000 1.051 1378 K CA 1.889 58.341 56.287 0.274 0.000 0.929 1378 K CB -0.443 32.200 32.500 0.238 0.000 0.715 1378 K HN 0.693 nan 8.250 nan 0.000 0.451 1379 A N 1.876 124.861 122.820 0.275 0.000 1.940 1379 A HA -0.257 4.063 4.320 -0.000 0.000 0.221 1379 A C 1.884 179.655 177.584 0.311 0.000 1.190 1379 A CA 1.947 54.166 52.037 0.303 0.000 0.647 1379 A CB -0.395 18.808 19.000 0.337 0.000 0.821 1379 A HN 0.280 nan 8.150 nan 0.000 0.457 1380 E N -0.261 120.059 120.200 0.200 0.000 2.208 1380 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 1380 E C 1.857 178.479 176.600 0.036 0.000 0.988 1380 E CA 1.203 57.621 56.400 0.031 0.000 0.828 1380 E CB -0.312 29.387 29.700 -0.001 0.000 0.763 1380 E HN 0.835 nan 8.360 nan 0.000 0.478 1381 K N 0.635 121.106 120.400 0.120 0.000 1.973 1381 K HA -0.110 4.210 4.320 -0.000 0.000 0.210 1381 K C 1.986 178.575 176.600 -0.019 0.000 1.045 1381 K CA 1.098 57.374 56.287 -0.018 0.000 0.937 1381 K CB -0.275 32.124 32.500 -0.168 0.000 0.721 1381 K HN -0.057 nan 8.250 nan 0.000 0.438 1382 F N 1.772 121.743 119.950 0.035 0.000 2.192 1382 F HA -0.211 4.316 4.527 0.000 0.000 0.301 1382 F C 2.373 178.209 175.800 0.061 0.000 1.079 1382 F CA 0.929 58.964 58.000 0.057 0.000 1.303 1382 F CB -1.089 37.960 39.000 0.081 0.000 1.024 1382 F HN 0.229 nan 8.300 nan 0.000 0.494 1383 A N 1.118 124.071 122.820 0.220 0.000 1.953 1383 A HA -0.285 4.035 4.320 -0.000 0.000 0.212 1383 A C 2.201 179.824 177.584 0.066 0.000 1.250 1383 A CA 2.344 54.417 52.037 0.060 0.000 0.726 1383 A CB -1.216 17.624 19.000 -0.266 0.000 0.837 1383 A HN 0.395 nan 8.150 nan 0.000 0.481 1384 D N -0.428 119.975 120.400 0.005 0.000 2.123 1384 D HA -0.175 4.465 4.640 -0.000 0.000 0.196 1384 D C 1.615 178.028 176.300 0.189 0.000 0.992 1384 D CA 1.277 55.344 54.000 0.112 0.000 0.833 1384 D CB -0.742 40.096 40.800 0.063 0.000 0.954 1384 D HN 0.580 nan 8.370 nan 0.000 0.455 1385 D N 1.554 122.001 120.400 0.077 0.000 2.242 1385 D HA -0.196 4.444 4.640 -0.000 0.000 0.193 1385 D C 2.227 178.570 176.300 0.072 0.000 1.005 1385 D CA 0.976 54.994 54.000 0.030 0.000 0.856 1385 D CB -0.342 40.419 40.800 -0.066 0.000 1.001 1385 D HN 0.159 nan 8.370 nan 0.000 0.452 1386 L N 0.030 121.321 121.223 0.113 0.000 2.556 1386 L HA -0.196 4.144 4.340 -0.000 0.000 0.230 1386 L C 2.369 179.329 176.870 0.150 0.000 1.163 1386 L CA 0.689 55.606 54.840 0.130 0.000 0.819 1386 L CB -0.480 41.685 42.059 0.176 0.000 0.939 1386 L HN 0.306 nan 8.230 nan 0.000 0.452 1387 Y N 0.480 120.807 120.300 0.045 0.000 2.262 1387 Y HA -0.098 4.452 4.550 -0.000 0.000 0.295 1387 Y C 2.293 178.208 175.900 0.025 0.000 1.121 1387 Y CA 1.144 59.268 58.100 0.040 0.000 1.144 1387 Y CB -0.081 38.399 38.460 0.034 0.000 1.043 1387 Y HN 0.118 nan 8.280 nan 0.000 0.528 1388 E N 0.544 120.552 120.200 -0.319 0.000 2.107 1388 E HA -0.106 4.244 4.350 -0.000 0.000 0.191 1388 E C 1.639 178.115 176.600 -0.205 0.000 0.982 1388 E CA 0.815 56.968 56.400 -0.411 0.000 0.809 1388 E CB -0.112 29.480 29.700 -0.180 0.000 0.756 1388 E HN 0.367 nan 8.360 nan 0.000 0.459 1389 K N 0.077 120.421 120.400 -0.094 0.000 2.664 1389 K HA -0.060 4.260 4.320 -0.000 0.000 0.193 1389 K C 0.970 177.545 176.600 -0.043 0.000 1.028 1389 K CA 0.449 56.705 56.287 -0.051 0.000 1.005 1389 K CB 0.146 32.638 32.500 -0.014 0.000 0.815 1389 K HN 0.308 nan 8.250 nan 0.000 0.496 1390 G N -0.047 108.709 108.800 -0.075 0.000 4.165 1390 G HA2 -0.398 3.562 3.960 -0.000 0.000 0.211 1390 G HA3 -0.398 3.562 3.960 -0.000 0.000 0.211 1390 G C 0.978 175.880 174.900 0.003 0.000 1.469 1390 G CA 0.027 45.099 45.100 -0.046 0.000 0.964 1390 G HN 0.031 nan 8.290 nan 0.000 0.613 1391 V N 2.619 122.553 119.914 0.033 0.000 2.352 1391 V HA -0.459 3.661 4.120 -0.000 0.000 0.242 1391 V C 2.940 179.092 176.094 0.097 0.000 1.032 1391 V CA 3.483 65.825 62.300 0.070 0.000 1.108 1391 V CB -1.232 30.644 31.823 0.089 0.000 0.838 1391 V HN 0.688 nan 8.190 nan 0.000 0.488 1392 L N -0.238 121.061 121.223 0.128 0.000 2.103 1392 L HA -0.310 4.030 4.340 -0.000 0.000 0.215 1392 L C 2.721 179.673 176.870 0.137 0.000 1.080 1392 L CA 1.995 56.927 54.840 0.153 0.000 0.764 1392 L CB -1.319 40.864 42.059 0.206 0.000 0.890 1392 L HN 0.588 nan 8.230 nan 0.000 0.435 1393 A N 0.317 123.205 122.820 0.114 0.000 1.940 1393 A HA -0.281 4.039 4.320 -0.000 0.000 0.221 1393 A C 1.993 179.624 177.584 0.078 0.000 1.190 1393 A CA 2.461 54.552 52.037 0.090 0.000 0.647 1393 A CB -0.524 18.504 19.000 0.048 0.000 0.821 1393 A HN 0.548 nan 8.150 nan 0.000 0.457 1394 D N -0.912 119.531 120.400 0.072 0.000 2.197 1394 D HA 0.002 4.642 4.640 -0.000 0.000 0.212 1394 D C 1.771 178.122 176.300 0.084 0.000 0.963 1394 D CA 0.723 54.756 54.000 0.056 0.000 0.864 1394 D CB -0.392 40.433 40.800 0.041 0.000 1.009 1394 D HN 0.272 nan 8.370 nan 0.000 0.479 1395 L N 1.805 123.111 121.223 0.137 0.000 2.211 1395 L HA -0.209 4.131 4.340 -0.000 0.000 0.216 1395 L C 2.201 179.224 176.870 0.255 0.000 1.092 1395 L CA 1.474 56.465 54.840 0.250 0.000 0.767 1395 L CB -0.387 41.804 42.059 0.219 0.000 0.894 1395 L HN 0.071 nan 8.230 nan 0.000 0.437 1396 E N -0.557 119.736 120.200 0.156 0.000 2.005 1396 E HA -0.197 4.153 4.350 -0.000 0.000 0.191 1396 E C 2.135 178.790 176.600 0.092 0.000 0.987 1396 E CA 0.904 57.381 56.400 0.128 0.000 0.814 1396 E CB 0.043 29.810 29.700 0.111 0.000 0.772 1396 E HN 0.417 nan 8.360 nan 0.000 0.453 1397 K N 0.267 120.702 120.400 0.057 0.000 2.127 1397 K HA -0.207 4.113 4.320 -0.000 0.000 0.208 1397 K C 2.087 178.662 176.600 -0.042 0.000 1.047 1397 K CA 1.288 57.583 56.287 0.014 0.000 0.927 1397 K CB -0.190 32.315 32.500 0.008 0.000 0.716 1397 K HN 0.109 nan 8.250 nan 0.000 0.450 1398 A N 0.824 123.588 122.820 -0.092 0.000 1.872 1398 A HA -0.054 4.266 4.320 -0.000 0.000 0.214 1398 A C 1.369 178.673 177.584 -0.467 0.000 1.187 1398 A CA 0.969 52.818 52.037 -0.314 0.000 0.614 1398 A CB -0.358 18.360 19.000 -0.470 0.000 0.826 1398 A HN 0.236 nan 8.150 nan 0.000 0.442 1399 F N 0.631 120.578 119.950 -0.005 0.000 2.798 1399 F HA 0.481 5.008 4.527 -0.000 0.000 0.291 1399 F C 1.084 176.871 175.800 -0.020 0.000 1.174 1399 F CA -0.194 57.797 58.000 -0.016 0.000 1.392 1399 F CB -0.147 38.838 39.000 -0.026 0.000 0.966 1399 F HN 0.174 nan 8.300 nan 0.000 0.509 1400 A N 1.155 124.007 122.820 0.054 0.000 2.484 1400 A HA 0.542 4.862 4.320 -0.000 0.000 0.268 1400 A C 0.670 178.270 177.584 0.026 0.000 1.114 1400 A CA -0.247 51.811 52.037 0.034 0.000 0.780 1400 A CB -0.305 18.697 19.000 0.003 0.000 1.061 1400 A HN 0.379 nan 8.150 nan 0.000 0.505 1401 A N 4.541 127.377 122.820 0.027 0.000 2.473 1401 A HA 0.325 4.645 4.320 -0.000 0.000 0.282 1401 A C 0.881 178.467 177.584 0.002 0.000 1.163 1401 A CA -0.160 51.888 52.037 0.019 0.000 0.827 1401 A CB -0.192 18.815 19.000 0.011 0.000 1.098 1401 A HN 0.893 nan 8.150 nan 0.000 0.515 1402 R N 1.870 122.371 120.500 0.001 0.000 2.738 1402 R HA 0.122 4.462 4.340 -0.000 0.000 0.268 1402 R C 0.219 176.516 176.300 -0.006 0.000 1.062 1402 R CA -0.135 55.961 56.100 -0.007 0.000 1.158 1402 R CB 0.507 30.802 30.300 -0.008 0.000 1.046 1402 R HN 0.833 nan 8.270 nan 0.000 0.493 1403 E N 1.449 121.644 120.200 -0.010 0.000 2.461 1403 E HA -0.051 4.299 4.350 -0.000 0.000 0.263 1403 E C -0.301 176.296 176.600 -0.005 0.000 1.143 1403 E CA 0.561 56.956 56.400 -0.009 0.000 0.994 1403 E CB 0.415 30.108 29.700 -0.011 0.000 0.973 1403 E HN 0.366 nan 8.360 nan 0.000 0.457 1404 I N 1.573 122.140 120.570 -0.005 0.000 2.439 1404 I HA 0.188 4.358 4.170 -0.000 0.000 0.285 1404 I C -0.027 176.088 176.117 -0.003 0.000 1.021 1404 I CA -0.700 60.599 61.300 -0.003 0.000 1.091 1404 I CB 1.319 39.318 38.000 -0.002 0.000 1.242 1404 I HN 0.211 nan 8.210 nan 0.000 0.439 1405 K N 3.982 124.380 120.400 -0.002 0.000 2.219 1405 K HA 0.542 4.862 4.320 -0.000 0.000 0.258 1405 K C -0.386 176.213 176.600 -0.002 0.000 1.008 1405 K CA -0.318 55.968 56.287 -0.002 0.000 0.928 1405 K CB 0.865 33.364 32.500 -0.001 0.000 0.983 1405 K HN 0.498 nan 8.250 nan 0.000 0.484 1406 S N 1.196 116.895 115.700 -0.001 0.000 2.614 1406 S HA 0.388 4.858 4.470 -0.000 0.000 0.275 1406 S C -0.775 173.825 174.600 0.001 0.000 1.161 1406 S CA -0.774 57.425 58.200 -0.000 0.000 0.969 1406 S CB 0.947 64.147 63.200 -0.001 0.000 1.059 1406 S HN 0.543 nan 8.310 nan 0.000 0.482 1407 L N 1.289 122.513 121.223 0.002 0.000 3.010 1407 L HA 1.025 5.365 4.340 -0.000 0.000 0.223 1407 L C 1.425 178.298 176.870 0.005 0.000 1.864 1407 L CA -0.221 54.621 54.840 0.004 0.000 2.442 1407 L CB -1.018 41.043 42.059 0.004 0.000 2.319 1407 L HN 0.796 nan 8.230 nan 0.000 0.633 1408 A N -0.659 122.164 122.820 0.006 0.000 4.725 1408 A HA -0.378 3.942 4.320 -0.000 0.000 0.343 1408 A C 1.843 179.432 177.584 0.010 0.000 1.760 1408 A CA 4.302 56.344 52.037 0.008 0.000 0.747 1408 A CB -2.300 16.704 19.000 0.006 0.000 1.450 1408 A HN 2.241 nan 8.150 nan 0.000 0.454 1409 S N -1.885 113.820 115.700 0.008 0.000 3.953 1409 S HA -0.471 3.999 4.470 -0.000 0.000 0.305 1409 S C 1.488 176.095 174.600 0.013 0.000 1.776 1409 S CA 3.050 61.255 58.200 0.009 0.000 4.019 1409 S CB -1.857 61.349 63.200 0.009 0.000 0.665 1409 S HN 1.356 nan 8.310 nan 0.000 0.461 1410 K N 0.538 120.947 120.400 0.016 0.000 2.207 1410 K HA -0.186 4.134 4.320 -0.000 0.000 0.208 1410 K C 2.276 178.889 176.600 0.022 0.000 1.046 1410 K CA 2.008 58.307 56.287 0.020 0.000 0.929 1410 K CB -0.243 32.270 32.500 0.022 0.000 0.720 1410 K HN 0.529 nan 8.250 nan 0.000 0.463 1411 R N -0.366 120.146 120.500 0.020 0.000 2.335 1411 R HA 0.003 4.343 4.340 -0.000 0.000 0.210 1411 R C 1.859 178.169 176.300 0.016 0.000 0.892 1411 R CA 0.121 56.235 56.100 0.022 0.000 1.048 1411 R CB 0.282 30.597 30.300 0.025 0.000 1.067 1411 R HN -0.075 nan 8.270 nan 0.000 0.524 1412 K N 1.901 122.308 120.400 0.012 0.000 1.985 1412 K HA -0.135 4.185 4.320 -0.000 0.000 0.210 1412 K C 1.274 177.878 176.600 0.006 0.000 1.047 1412 K CA 1.881 58.172 56.287 0.007 0.000 0.932 1412 K CB -0.094 32.409 32.500 0.005 0.000 0.716 1412 K HN 0.093 nan 8.250 nan 0.000 0.439 1413 E N 0.284 120.490 120.200 0.009 0.000 2.273 1413 E HA -0.212 4.138 4.350 -0.000 0.000 0.198 1413 E C 1.282 177.888 176.600 0.010 0.000 1.002 1413 E CA 1.157 57.563 56.400 0.009 0.000 0.828 1413 E CB -0.270 29.438 29.700 0.013 0.000 0.747 1413 E HN 0.479 nan 8.360 nan 0.000 0.491 1414 D N 0.418 120.825 120.400 0.013 0.000 2.389 1414 D HA -0.140 4.500 4.640 -0.000 0.000 0.221 1414 D C 1.549 177.851 176.300 0.003 0.000 0.974 1414 D CA 0.263 54.271 54.000 0.014 0.000 0.923 1414 D CB 0.087 40.899 40.800 0.021 0.000 0.892 1414 D HN 0.098 nan 8.370 nan 0.000 0.518 1415 L N 0.289 121.511 121.223 -0.002 0.000 1.982 1415 L HA -0.102 4.238 4.340 -0.000 0.000 0.206 1415 L C 2.177 179.037 176.870 -0.017 0.000 1.078 1415 L CA 1.624 56.457 54.840 -0.012 0.000 0.749 1415 L CB -0.670 41.383 42.059 -0.011 0.000 0.894 1415 L HN -0.005 nan 8.230 nan 0.000 0.436 1416 Q N 0.055 119.848 119.800 -0.011 0.000 2.217 1416 Q HA -0.203 4.137 4.340 -0.000 0.000 0.209 1416 Q C 0.229 176.221 176.000 -0.013 0.000 0.988 1416 Q CA 1.239 57.035 55.803 -0.012 0.000 0.878 1416 Q CB -0.378 28.357 28.738 -0.004 0.000 0.909 1416 Q HN 0.485 nan 8.270 nan 0.000 0.424 1417 K N 1.061 121.458 120.400 -0.005 0.000 2.295 1417 K HA 0.155 4.475 4.320 -0.000 0.000 0.270 1417 K C 0.189 176.774 176.600 -0.025 0.000 1.011 1417 K CA -0.338 55.949 56.287 0.001 0.000 0.953 1417 K CB 0.702 33.213 32.500 0.018 0.000 0.956 1417 K HN 0.038 nan 8.250 nan 0.000 0.477 1418 I N 1.140 121.696 120.570 -0.024 0.000 3.141 1418 I HA -0.121 4.049 4.170 -0.000 0.000 0.295 1418 I C 0.328 176.378 176.117 -0.112 0.000 1.252 1418 I CA 0.955 62.197 61.300 -0.096 0.000 1.406 1418 I CB -0.035 37.953 38.000 -0.021 0.000 1.333 1418 I HN 0.534 nan 8.210 nan 0.000 0.594 1419 T N 4.688 119.072 114.554 -0.284 0.000 3.578 1419 T HA 0.324 4.674 4.350 -0.000 0.000 0.343 1419 T C -0.214 174.262 174.700 -0.374 0.000 1.126 1419 T CA -0.400 61.592 62.100 -0.180 0.000 1.092 1419 T CB 0.591 69.388 68.868 -0.117 0.000 1.160 1419 T HN 0.272 nan 8.240 nan 0.000 0.469 1420 F N 1.642 121.504 119.950 -0.146 0.000 2.653 1420 F HA 0.461 4.988 4.527 -0.000 0.000 0.304 1420 F C 0.457 176.175 175.800 -0.138 0.000 1.092 1420 F CA -0.318 57.569 58.000 -0.189 0.000 1.279 1420 F CB 0.364 39.121 39.000 -0.405 0.000 1.044 1420 F HN 0.223 nan 8.300 nan 0.000 0.564 1421 L N 0.939 122.169 121.223 0.011 0.000 2.280 1421 L HA 0.332 4.672 4.340 -0.000 0.000 0.287 1421 L C 0.488 177.295 176.870 -0.105 0.000 1.023 1421 L CA -0.977 53.810 54.840 -0.088 0.000 0.819 1421 L CB 1.317 43.267 42.059 -0.182 0.000 1.212 1421 L HN 0.066 nan 8.230 nan 0.000 0.420 1422 S N 2.844 118.487 115.700 -0.095 0.000 2.702 1422 S HA -0.040 4.430 4.470 -0.000 0.000 0.314 1422 S C 1.302 175.858 174.600 -0.074 0.000 1.244 1422 S CA -0.242 57.914 58.200 -0.073 0.000 1.058 1422 S CB 0.389 63.555 63.200 -0.056 0.000 0.783 1422 S HN 0.695 nan 8.310 nan 0.000 0.503 1423 R N 2.859 123.323 120.500 -0.060 0.000 2.189 1423 R HA -0.283 4.057 4.340 -0.000 0.000 0.252 1423 R C 1.580 177.855 176.300 -0.042 0.000 1.134 1423 R CA 2.620 58.690 56.100 -0.050 0.000 0.954 1423 R CB -1.138 29.138 30.300 -0.040 0.000 0.890 1423 R HN 0.872 nan 8.270 nan 0.000 0.443 1424 D N 0.688 121.068 120.400 -0.035 0.000 2.205 1424 D HA -0.232 4.408 4.640 -0.000 0.000 0.190 1424 D C 1.812 178.106 176.300 -0.011 0.000 1.002 1424 D CA 1.663 55.650 54.000 -0.022 0.000 0.848 1424 D CB -0.489 40.301 40.800 -0.017 0.000 0.975 1424 D HN 0.100 nan 8.370 nan 0.000 0.449 1425 I N 0.587 121.144 120.570 -0.022 0.000 2.069 1425 I HA -0.278 3.892 4.170 -0.000 0.000 0.237 1425 I C 2.575 178.655 176.117 -0.060 0.000 1.053 1425 I CA 1.380 62.677 61.300 -0.004 0.000 1.311 1425 I CB -1.616 36.319 38.000 -0.108 0.000 1.030 1425 I HN 0.118 nan 8.210 nan 0.000 0.398 1426 S N -0.255 115.335 115.700 -0.183 0.000 2.413 1426 S HA -0.307 4.163 4.470 -0.000 0.000 0.237 1426 S C 2.032 176.622 174.600 -0.016 0.000 1.044 1426 S CA 2.146 60.237 58.200 -0.182 0.000 1.024 1426 S CB -0.218 62.907 63.200 -0.125 0.000 0.829 1426 S HN 0.547 nan 8.310 nan 0.000 0.475 1427 Q N 0.323 120.127 119.800 0.007 0.000 2.008 1427 Q HA -0.062 4.278 4.340 -0.000 0.000 0.196 1427 Q C 1.286 177.329 176.000 0.071 0.000 0.973 1427 Q CA 1.118 56.941 55.803 0.033 0.000 0.826 1427 Q CB -0.143 28.595 28.738 0.000 0.000 0.894 1427 Q HN 0.865 nan 8.270 nan 0.000 0.439 1428 Q N -0.755 119.081 119.800 0.060 0.000 3.141 1428 Q HA 0.051 4.391 4.340 -0.000 0.000 0.304 1428 Q C -0.460 175.562 176.000 0.035 0.000 1.305 1428 Q CA -0.008 55.779 55.803 -0.027 0.000 0.929 1428 Q CB 0.221 28.890 28.738 -0.116 0.000 1.701 1428 Q HN 0.212 nan 8.270 nan 0.000 0.483 1429 F N -0.465 119.432 119.950 -0.087 0.000 1.855 1429 F HA 0.313 4.840 4.527 -0.000 0.000 0.228 1429 F C 2.085 177.948 175.800 0.105 0.000 1.236 1429 F CA 0.398 58.484 58.000 0.143 0.000 1.308 1429 F CB -0.424 38.706 39.000 0.217 0.000 1.877 1429 F HN 0.347 nan 8.300 nan 0.000 0.272 1430 G N 1.562 110.557 108.800 0.325 0.000 2.689 1430 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.216 1430 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.216 1430 G C 1.346 176.332 174.900 0.143 0.000 1.119 1430 G CA 1.171 46.394 45.100 0.205 0.000 0.732 1430 G HN 0.197 nan 8.290 nan 0.000 0.576 1431 I N 1.170 121.792 120.570 0.087 0.000 2.364 1431 I HA 0.003 4.173 4.170 -0.000 0.000 0.241 1431 I C 1.972 178.156 176.117 0.111 0.000 1.082 1431 I CA 1.048 62.365 61.300 0.029 0.000 1.401 1431 I CB -0.954 37.006 38.000 -0.067 0.000 1.126 1431 I HN 0.127 nan 8.210 nan 0.000 0.429 1432 N N 0.886 119.599 118.700 0.021 0.000 2.415 1432 N HA 0.025 4.765 4.740 -0.000 0.000 0.176 1432 N C 1.243 176.839 175.510 0.144 0.000 1.042 1432 N CA 0.496 53.593 53.050 0.078 0.000 0.902 1432 N CB -0.276 38.199 38.487 -0.021 0.000 0.986 1432 N HN 0.236 nan 8.380 nan 0.000 0.447 1433 L N 2.036 123.388 121.223 0.216 0.000 2.737 1433 L HA 0.129 4.469 4.340 -0.000 0.000 0.236 1433 L C 1.400 178.387 176.870 0.196 0.000 1.219 1433 L CA 0.079 55.104 54.840 0.308 0.000 1.021 1433 L CB -0.780 41.488 42.059 0.348 0.000 1.291 1433 L HN 0.464 nan 8.230 nan 0.000 0.470 1434 H N 0.598 119.697 119.070 0.048 0.000 2.555 1434 H HA -0.026 4.530 4.556 -0.000 0.000 0.269 1434 H C 1.763 177.039 175.328 -0.086 0.000 0.988 1434 H CA 0.533 56.579 56.048 -0.005 0.000 1.178 1434 H CB 0.342 30.091 29.762 -0.022 0.000 1.373 1434 H HN 0.478 nan 8.280 nan 0.000 0.588 1435 M N -0.957 118.271 119.600 -0.620 0.000 2.510 1435 M HA 0.061 4.541 4.480 -0.000 0.000 0.256 1435 M C 0.358 176.331 176.300 -0.544 0.000 1.132 1435 M CA 0.404 55.303 55.300 -0.669 0.000 1.105 1435 M CB -0.937 31.109 32.600 -0.923 0.000 1.375 1435 M HN 0.116 nan 8.290 nan 0.000 0.477 1436 Y N 1.632 121.923 120.300 -0.015 0.000 2.461 1436 Y HA 0.260 4.810 4.550 -0.000 0.000 0.277 1436 Y C 2.241 178.172 175.900 0.050 0.000 1.182 1436 Y CA -0.223 57.895 58.100 0.031 0.000 1.276 1436 Y CB -0.292 38.201 38.460 0.054 0.000 1.087 1436 Y HN 0.250 nan 8.280 nan 0.000 0.519 1437 S N 0.653 116.416 115.700 0.106 0.000 2.452 1437 S HA -0.377 4.093 4.470 -0.000 0.000 0.253 1437 S C 2.261 176.923 174.600 0.104 0.000 1.061 1437 S CA 2.425 60.690 58.200 0.108 0.000 1.273 1437 S CB -1.075 62.174 63.200 0.082 0.000 1.191 1437 S HN 0.708 nan 8.310 nan 0.000 0.430 1438 S N 1.639 117.386 115.700 0.079 0.000 2.423 1438 S HA -0.123 4.347 4.470 -0.000 0.000 0.238 1438 S C 0.555 175.204 174.600 0.083 0.000 1.028 1438 S CA 0.674 58.916 58.200 0.071 0.000 1.000 1438 S CB -0.821 62.412 63.200 0.055 0.000 0.797 1438 S HN 0.204 nan 8.310 nan 0.000 0.487 1439 L N 2.849 124.139 121.223 0.112 0.000 2.426 1439 L HA 0.374 4.714 4.340 -0.000 0.000 0.271 1439 L C 0.981 177.907 176.870 0.092 0.000 1.169 1439 L CA -0.059 54.845 54.840 0.107 0.000 0.836 1439 L CB 0.408 42.551 42.059 0.141 0.000 1.112 1439 L HN 0.348 nan 8.230 nan 0.000 0.465 1440 S N 2.102 117.845 115.700 0.071 0.000 2.587 1440 S HA 0.114 4.584 4.470 -0.000 0.000 0.260 1440 S C 1.430 176.069 174.600 0.064 0.000 1.353 1440 S CA -0.283 57.955 58.200 0.064 0.000 0.995 1440 S CB 0.651 63.884 63.200 0.054 0.000 0.912 1440 S HN 0.362 nan 8.310 nan 0.000 0.568 1441 V N 1.949 121.900 119.914 0.062 0.000 2.546 1441 V HA -0.142 3.978 4.120 -0.000 0.000 0.254 1441 V C 2.613 178.731 176.094 0.041 0.000 1.076 1441 V CA 2.256 64.592 62.300 0.059 0.000 1.087 1441 V CB -2.137 29.721 31.823 0.059 0.000 0.674 1441 V HN 0.913 nan 8.190 nan 0.000 0.470 1442 A N -0.181 122.663 122.820 0.039 0.000 1.909 1442 A HA -0.004 4.316 4.320 -0.000 0.000 0.209 1442 A C 1.862 179.450 177.584 0.007 0.000 1.247 1442 A CA 0.955 53.008 52.037 0.026 0.000 0.660 1442 A CB -0.548 18.480 19.000 0.048 0.000 0.910 1442 A HN 0.444 nan 8.150 nan 0.000 0.465 1443 D N 0.383 120.796 120.400 0.021 0.000 2.204 1443 D HA -0.255 4.385 4.640 -0.000 0.000 0.189 1443 D C 1.849 178.138 176.300 -0.018 0.000 1.006 1443 D CA 1.928 55.937 54.000 0.015 0.000 0.855 1443 D CB -0.522 40.300 40.800 0.038 0.000 0.946 1443 D HN 0.404 nan 8.370 nan 0.000 0.448 1444 L N 0.572 121.786 121.223 -0.015 0.000 1.990 1444 L HA -0.186 4.154 4.340 -0.000 0.000 0.213 1444 L C 2.066 178.836 176.870 -0.167 0.000 1.072 1444 L CA 1.636 56.423 54.840 -0.089 0.000 0.755 1444 L CB -0.933 41.108 42.059 -0.030 0.000 0.889 1444 L HN 0.054 nan 8.230 nan 0.000 0.432 1445 V N -0.125 119.717 119.914 -0.121 0.000 2.469 1445 V HA -0.308 3.812 4.120 -0.000 0.000 0.251 1445 V C 2.729 178.690 176.094 -0.220 0.000 1.064 1445 V CA 2.158 64.358 62.300 -0.166 0.000 1.066 1445 V CB -0.978 30.759 31.823 -0.144 0.000 0.667 1445 V HN 0.564 nan 8.190 nan 0.000 0.461 1446 K N 0.713 121.012 120.400 -0.169 0.000 1.965 1446 K HA -0.206 4.114 4.320 -0.000 0.000 0.214 1446 K C 2.279 178.758 176.600 -0.202 0.000 1.046 1446 K CA 1.779 57.971 56.287 -0.157 0.000 0.944 1446 K CB -0.320 32.132 32.500 -0.079 0.000 0.726 1446 K HN 0.245 nan 8.250 nan 0.000 0.441 1447 K N 0.312 120.603 120.400 -0.182 0.000 2.259 1447 K HA -0.203 4.117 4.320 -0.000 0.000 0.206 1447 K C 1.749 178.119 176.600 -0.383 0.000 1.044 1447 K CA 1.704 57.865 56.287 -0.209 0.000 0.931 1447 K CB -0.076 32.322 32.500 -0.170 0.000 0.726 1447 K HN 0.269 nan 8.250 nan 0.000 0.467 1448 I N -0.308 119.986 120.570 -0.459 0.000 2.628 1448 I HA -0.176 3.994 4.170 -0.000 0.000 0.255 1448 I C 1.887 177.612 176.117 -0.654 0.000 1.119 1448 I CA 0.415 61.271 61.300 -0.741 0.000 1.448 1448 I CB -0.070 37.669 38.000 -0.434 0.000 1.133 1448 I HN 0.081 nan 8.210 nan 0.000 0.438 1449 L N 0.364 121.341 121.223 -0.410 0.000 2.056 1449 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 1449 L C 1.841 178.534 176.870 -0.295 0.000 1.078 1449 L CA 1.152 55.788 54.840 -0.341 0.000 0.749 1449 L CB -0.626 41.242 42.059 -0.318 0.000 0.901 1449 L HN 0.264 nan 8.230 nan 0.000 0.433 1450 N N 0.842 119.384 118.700 -0.262 0.000 2.530 1450 N HA -0.042 4.698 4.740 -0.000 0.000 0.216 1450 N C -0.071 175.308 175.510 -0.219 0.000 1.315 1450 N CA -0.056 52.882 53.050 -0.187 0.000 0.858 1450 N CB -0.250 38.154 38.487 -0.138 0.000 1.138 1450 N HN 0.343 nan 8.380 nan 0.000 0.473 1451 C N 2.010 121.118 119.300 -0.321 0.000 2.544 1451 C HA -0.192 4.268 4.460 -0.000 0.000 0.160 1451 C C 0.616 175.516 174.990 -0.149 0.000 1.534 1451 C CA -0.244 58.575 59.018 -0.331 0.000 2.213 1451 C CB -2.652 24.969 27.740 -0.198 0.000 1.531 1451 C HN 0.459 nan 8.230 nan 0.000 0.278 1452 D N -0.174 120.145 120.400 -0.135 0.000 2.300 1452 D HA 0.032 4.672 4.640 -0.000 0.000 0.235 1452 D C 1.266 177.619 176.300 0.088 0.000 1.338 1452 D CA 0.041 54.042 54.000 0.002 0.000 0.903 1452 D CB 0.325 41.151 40.800 0.044 0.000 1.180 1452 D HN 0.568 nan 8.370 nan 0.000 0.485 1453 R N 0.361 120.913 120.500 0.087 0.000 2.334 1453 R HA -0.027 4.313 4.340 -0.000 0.000 0.216 1453 R C 0.431 176.798 176.300 0.111 0.000 0.905 1453 R CA 0.293 56.448 56.100 0.092 0.000 1.064 1453 R CB 0.195 30.530 30.300 0.059 0.000 1.046 1453 R HN 0.543 nan 8.270 nan 0.000 0.508 1454 D N -0.663 119.827 120.400 0.151 0.000 2.380 1454 D HA -0.122 4.518 4.640 -0.000 0.000 0.212 1454 D C 1.453 177.888 176.300 0.225 0.000 1.021 1454 D CA 0.020 54.111 54.000 0.153 0.000 0.884 1454 D CB -0.380 40.508 40.800 0.146 0.000 1.001 1454 D HN 0.276 nan 8.370 nan 0.000 0.506 1455 F N 1.561 121.578 119.950 0.111 0.000 2.123 1455 F HA 0.155 4.682 4.527 -0.000 0.000 0.289 1455 F C 2.109 177.948 175.800 0.065 0.000 1.099 1455 F CA 0.535 58.613 58.000 0.130 0.000 1.234 1455 F CB -0.234 38.788 39.000 0.036 0.000 1.034 1455 F HN -0.214 nan 8.300 nan 0.000 0.479 1456 L N 0.559 122.077 121.223 0.493 0.000 2.187 1456 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 1456 L C 2.546 179.445 176.870 0.047 0.000 1.100 1456 L CA 1.359 56.349 54.840 0.249 0.000 0.765 1456 L CB -0.732 41.482 42.059 0.258 0.000 0.904 1456 L HN 0.357 nan 8.230 nan 0.000 0.437 1457 Q N -0.647 119.185 119.800 0.054 0.000 2.079 1457 Q HA -0.122 4.218 4.340 -0.000 0.000 0.200 1457 Q C 0.927 176.909 176.000 -0.030 0.000 0.974 1457 Q CA 1.539 57.351 55.803 0.015 0.000 0.840 1457 Q CB -0.060 28.694 28.738 0.027 0.000 0.898 1457 Q HN 0.524 nan 8.270 nan 0.000 0.430 1458 T N -1.404 113.112 114.554 -0.064 0.000 2.782 1458 T HA 0.225 4.575 4.350 -0.000 0.000 0.298 1458 T C -2.390 172.232 174.700 -0.131 0.000 0.944 1458 T CA -1.929 60.120 62.100 -0.086 0.000 1.001 1458 T CB 1.246 70.062 68.868 -0.087 0.000 0.932 1458 T HN -0.091 nan 8.240 nan 0.000 0.524 1459 P HA -0.143 nan 4.420 nan 0.000 0.218 1459 P C 1.910 179.169 177.300 -0.068 0.000 1.148 1459 P CA 0.786 63.837 63.100 -0.081 0.000 0.822 1459 P CB 0.045 31.717 31.700 -0.047 0.000 0.784 1460 S N -0.670 115.000 115.700 -0.050 0.000 2.381 1460 S HA -0.194 4.276 4.470 -0.000 0.000 0.230 1460 S C 1.774 176.379 174.600 0.007 0.000 1.052 1460 S CA 2.163 60.352 58.200 -0.018 0.000 1.068 1460 S CB -1.081 62.108 63.200 -0.018 0.000 0.918 1460 S HN -0.072 nan 8.310 nan 0.000 0.448 1461 V N 0.790 120.665 119.914 -0.064 0.000 2.535 1461 V HA 0.006 4.126 4.120 -0.000 0.000 0.246 1461 V C 2.441 178.425 176.094 -0.184 0.000 1.045 1461 V CA 1.210 63.465 62.300 -0.076 0.000 1.058 1461 V CB -0.714 30.987 31.823 -0.203 0.000 0.689 1461 V HN 0.396 nan 8.190 nan 0.000 0.461 1462 V N 0.514 120.262 119.914 -0.277 0.000 2.237 1462 V HA -0.311 3.809 4.120 -0.000 0.000 0.245 1462 V C 2.606 178.675 176.094 -0.041 0.000 1.046 1462 V CA 2.577 64.755 62.300 -0.203 0.000 1.007 1462 V CB -0.550 31.186 31.823 -0.145 0.000 0.638 1462 V HN 0.686 nan 8.190 nan 0.000 0.445 1463 E N -0.377 119.820 120.200 -0.004 0.000 2.049 1463 E HA -0.294 4.056 4.350 -0.000 0.000 0.198 1463 E C 2.207 178.884 176.600 0.128 0.000 1.007 1463 E CA 2.045 58.477 56.400 0.052 0.000 0.809 1463 E CB -0.294 29.433 29.700 0.044 0.000 0.749 1463 E HN 0.460 nan 8.360 nan 0.000 0.450 1464 F N 1.889 121.812 119.950 -0.044 0.000 2.008 1464 F HA -0.239 4.288 4.527 -0.000 0.000 0.297 1464 F C 2.102 177.888 175.800 -0.023 0.000 1.156 1464 F CA 1.740 59.708 58.000 -0.052 0.000 1.191 1464 F CB -1.175 37.764 39.000 -0.102 0.000 0.955 1464 F HN 0.053 nan 8.300 nan 0.000 0.497 1465 L N 0.390 121.379 121.223 -0.390 0.000 2.671 1465 L HA -0.232 4.108 4.340 -0.000 0.000 0.236 1465 L C 1.186 178.101 176.870 0.074 0.000 1.178 1465 L CA 1.414 56.042 54.840 -0.352 0.000 0.829 1465 L CB -0.746 41.295 42.059 -0.030 0.000 0.956 1465 L HN 0.270 nan 8.230 nan 0.000 0.455 1466 S N -2.563 113.186 115.700 0.081 0.000 2.754 1466 S HA 0.156 4.626 4.470 -0.000 0.000 0.247 1466 S C 0.304 174.971 174.600 0.111 0.000 1.031 1466 S CA -0.546 57.738 58.200 0.139 0.000 1.014 1466 S CB 0.225 63.480 63.200 0.092 0.000 0.918 1466 S HN 0.139 nan 8.310 nan 0.000 0.519 1467 K N 2.852 123.319 120.400 0.112 0.000 2.338 1467 K HA 0.227 4.547 4.320 -0.000 0.000 0.290 1467 K C 1.068 177.741 176.600 0.121 0.000 1.069 1467 K CA -0.121 56.249 56.287 0.139 0.000 0.941 1467 K CB 0.373 33.013 32.500 0.234 0.000 1.023 1467 K HN 0.274 nan 8.250 nan 0.000 0.477 1468 S N 3.371 119.132 115.700 0.101 0.000 2.390 1468 S HA -0.346 4.124 4.470 -0.000 0.000 0.234 1468 S C 1.355 176.016 174.600 0.101 0.000 1.063 1468 S CA 2.095 60.350 58.200 0.091 0.000 1.108 1468 S CB -0.574 62.671 63.200 0.075 0.000 0.975 1468 S HN 0.824 nan 8.310 nan 0.000 0.442 1469 E N 1.093 121.358 120.200 0.107 0.000 2.273 1469 E HA -0.120 4.230 4.350 -0.000 0.000 0.198 1469 E C 1.584 178.274 176.600 0.150 0.000 1.002 1469 E CA 1.223 57.691 56.400 0.113 0.000 0.828 1469 E CB -0.380 29.384 29.700 0.107 0.000 0.747 1469 E HN 0.526 nan 8.360 nan 0.000 0.491 1470 I N 0.247 120.924 120.570 0.179 0.000 3.339 1470 I HA 0.061 4.231 4.170 -0.000 0.000 0.285 1470 I C 2.151 178.375 176.117 0.179 0.000 1.201 1470 I CA 0.200 61.636 61.300 0.227 0.000 1.434 1470 I CB -0.567 37.559 38.000 0.209 0.000 1.152 1470 I HN 0.124 nan 8.210 nan 0.000 0.443 1471 I N 1.243 121.864 120.570 0.084 0.000 2.087 1471 I HA -0.187 3.983 4.170 -0.000 0.000 0.231 1471 I C 0.783 176.943 176.117 0.071 0.000 1.058 1471 I CA 0.716 62.028 61.300 0.020 0.000 1.328 1471 I CB -0.575 37.472 38.000 0.078 0.000 1.079 1471 I HN 0.108 nan 8.210 nan 0.000 0.397 1472 E N 2.510 122.763 120.200 0.090 0.000 3.306 1472 E HA -0.072 4.278 4.350 -0.000 0.000 0.230 1472 E C -0.880 175.798 176.600 0.130 0.000 0.992 1472 E CA -0.071 56.384 56.400 0.093 0.000 0.938 1472 E CB -0.161 29.590 29.700 0.084 0.000 0.904 1472 E HN 0.140 nan 8.360 nan 0.000 0.568 1473 V N 3.074 123.059 119.914 0.118 0.000 2.427 1473 V HA 0.122 4.242 4.120 -0.000 0.000 0.286 1473 V C 0.499 176.665 176.094 0.119 0.000 1.034 1473 V CA -0.519 61.880 62.300 0.164 0.000 0.893 1473 V CB 1.684 33.584 31.823 0.128 0.000 0.982 1473 V HN 0.537 nan 8.190 nan 0.000 0.452 1474 S N 3.013 118.788 115.700 0.125 0.000 2.610 1474 S HA 0.305 4.775 4.470 -0.000 0.000 0.273 1474 S C 1.212 175.863 174.600 0.085 0.000 1.274 1474 S CA -0.562 57.693 58.200 0.090 0.000 1.023 1474 S CB 1.617 64.864 63.200 0.077 0.000 0.962 1474 S HN 0.494 nan 8.310 nan 0.000 0.523 1475 V N 4.240 124.192 119.914 0.064 0.000 2.282 1475 V HA -0.214 3.906 4.120 -0.000 0.000 0.249 1475 V C 2.260 178.385 176.094 0.051 0.000 1.057 1475 V CA 2.089 64.421 62.300 0.053 0.000 1.032 1475 V CB -1.153 30.695 31.823 0.041 0.000 0.645 1475 V HN 0.826 nan 8.190 nan 0.000 0.447 1476 N N 0.677 119.407 118.700 0.050 0.000 2.205 1476 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 1476 N C 1.786 177.325 175.510 0.049 0.000 1.015 1476 N CA 1.673 54.750 53.050 0.045 0.000 0.862 1476 N CB -0.313 38.201 38.487 0.044 0.000 0.986 1476 N HN 0.472 nan 8.380 nan 0.000 0.429 1477 L N 0.697 121.966 121.223 0.076 0.000 2.062 1477 L HA 0.070 4.410 4.340 -0.000 0.000 0.202 1477 L C 2.688 179.638 176.870 0.132 0.000 1.079 1477 L CA 0.818 55.726 54.840 0.113 0.000 0.755 1477 L CB -1.000 41.179 42.059 0.201 0.000 0.913 1477 L HN 0.036 nan 8.230 nan 0.000 0.445 1478 A N 0.523 123.442 122.820 0.165 0.000 1.881 1478 A HA -0.303 4.017 4.320 -0.000 0.000 0.219 1478 A C 2.383 180.025 177.584 0.097 0.000 1.215 1478 A CA 2.235 54.367 52.037 0.159 0.000 0.648 1478 A CB -0.858 18.198 19.000 0.093 0.000 0.832 1478 A HN 0.336 nan 8.150 nan 0.000 0.455 1479 R N -0.414 120.110 120.500 0.040 0.000 2.162 1479 R HA -0.266 4.074 4.340 -0.000 0.000 0.245 1479 R C 1.938 178.202 176.300 -0.060 0.000 1.129 1479 R CA 2.188 58.290 56.100 0.003 0.000 0.940 1479 R CB -1.060 29.243 30.300 0.005 0.000 0.875 1479 R HN 0.833 nan 8.270 nan 0.000 0.437 1480 N N -0.774 117.816 118.700 -0.184 0.000 2.258 1480 N HA -0.214 4.526 4.740 -0.000 0.000 0.187 1480 N C 1.243 176.353 175.510 -0.667 0.000 1.012 1480 N CA 1.266 53.991 53.050 -0.540 0.000 0.870 1480 N CB -0.161 37.781 38.487 -0.909 0.000 0.977 1480 N HN 0.417 nan 8.380 nan 0.000 0.434 1481 Y N 0.060 120.220 120.300 -0.233 0.000 2.449 1481 Y HA 0.314 4.864 4.550 -0.000 0.000 0.254 1481 Y C 2.238 178.211 175.900 0.122 0.000 1.140 1481 Y CA -0.334 57.724 58.100 -0.070 0.000 1.272 1481 Y CB 0.304 38.694 38.460 -0.117 0.000 1.114 1481 Y HN 0.044 nan 8.280 nan 0.000 0.525 1482 A N 1.436 124.357 122.820 0.168 0.000 1.865 1482 A HA -0.158 4.162 4.320 -0.000 0.000 0.217 1482 A C -0.401 177.206 177.584 0.038 0.000 1.191 1482 A CA 1.449 53.540 52.037 0.089 0.000 0.623 1482 A CB -1.749 17.268 19.000 0.029 0.000 0.826 1482 A HN 0.211 nan 8.150 nan 0.000 0.444 1483 P HA -0.118 nan 4.420 nan 0.000 0.231 1483 P C -0.161 176.917 177.300 -0.371 0.000 1.154 1483 P CA 1.142 64.057 63.100 -0.308 0.000 0.762 1483 P CB -0.202 31.183 31.700 -0.525 0.000 0.790 1484 Y N -3.238 117.074 120.300 0.019 0.000 2.540 1484 Y HA 0.189 4.739 4.550 -0.000 0.000 0.257 1484 Y C 1.736 177.650 175.900 0.023 0.000 1.090 1484 Y CA -0.428 57.692 58.100 0.033 0.000 1.242 1484 Y CB -0.809 37.695 38.460 0.073 0.000 1.325 1484 Y HN -0.125 nan 8.280 nan 0.000 0.544 1485 S N 0.085 115.885 115.700 0.167 0.000 2.592 1485 S HA 0.492 4.962 4.470 -0.000 0.000 0.247 1485 S C 0.361 174.973 174.600 0.021 0.000 1.322 1485 S CA 0.370 58.626 58.200 0.093 0.000 0.973 1485 S CB 0.540 63.780 63.200 0.068 0.000 0.971 1485 S HN 0.156 nan 8.310 nan 0.000 0.545 1486 T N -0.901 113.642 114.554 -0.017 0.000 2.700 1486 T HA 0.420 4.770 4.350 -0.000 0.000 0.307 1486 T C -1.080 173.517 174.700 -0.173 0.000 1.580 1486 T CA -0.505 61.468 62.100 -0.211 0.000 0.992 1486 T CB 1.598 70.219 68.868 -0.412 0.000 1.577 1486 T HN 0.618 nan 8.240 nan 0.000 0.496 1487 D N -1.173 119.023 120.400 -0.340 0.000 2.461 1487 D HA 0.206 4.846 4.640 -0.000 0.000 0.266 1487 D C 0.083 176.413 176.300 0.049 0.000 1.085 1487 D CA -0.215 53.728 54.000 -0.096 0.000 0.887 1487 D CB 0.189 40.940 40.800 -0.083 0.000 1.309 1487 D HN 0.691 nan 8.370 nan 0.000 0.498 1488 W N 2.002 123.326 121.300 0.041 0.000 4.374 1488 W HA -0.255 4.405 4.660 -0.000 0.000 0.313 1488 W C -0.651 175.886 176.519 0.029 0.000 1.129 1488 W CA 0.074 57.438 57.345 0.031 0.000 0.761 1488 W CB -2.333 27.169 29.460 0.070 0.000 2.171 1488 W HN 0.058 nan 8.180 nan 0.000 1.566 1489 E N 0.644 120.926 120.200 0.137 0.000 2.238 1489 E HA 0.324 4.674 4.350 -0.000 0.000 0.264 1489 E C 1.325 177.963 176.600 0.063 0.000 1.136 1489 E CA 0.631 57.088 56.400 0.095 0.000 0.929 1489 E CB 0.215 29.946 29.700 0.052 0.000 1.010 1489 E HN 0.291 nan 8.360 nan 0.000 0.440 1490 G N 2.593 111.432 108.800 0.065 0.000 4.365 1490 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.214 1490 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.214 1490 G C 0.444 175.379 174.900 0.059 0.000 1.450 1490 G CA -0.234 44.888 45.100 0.037 0.000 0.937 1490 G HN 0.520 nan 8.290 nan 0.000 0.625 1491 V N 1.739 121.699 119.914 0.078 0.000 3.121 1491 V HA -0.099 4.021 4.120 -0.000 0.000 0.277 1491 V C 1.519 177.686 176.094 0.121 0.000 1.474 1491 V CA 2.324 64.689 62.300 0.109 0.000 1.468 1491 V CB 0.039 31.972 31.823 0.182 0.000 0.819 1491 V HN 0.690 nan 8.190 nan 0.000 0.450 1492 R N 3.032 123.575 120.500 0.072 0.000 2.565 1492 R HA 0.243 4.583 4.340 -0.000 0.000 0.347 1492 R C 0.348 176.671 176.300 0.039 0.000 1.010 1492 R CA -0.113 56.013 56.100 0.043 0.000 1.126 1492 R CB 0.339 30.648 30.300 0.015 0.000 1.331 1492 R HN 0.950 nan 8.270 nan 0.000 0.552 1493 N N -0.668 118.071 118.700 0.065 0.000 2.494 1493 N HA 0.126 4.866 4.740 -0.000 0.000 0.270 1493 N C 0.348 175.916 175.510 0.098 0.000 1.285 1493 N CA -0.637 52.446 53.050 0.057 0.000 0.812 1493 N CB 1.348 39.859 38.487 0.039 0.000 1.557 1493 N HN -0.201 nan 8.380 nan 0.000 0.487 1494 L N 0.483 121.756 121.223 0.083 0.000 1.944 1494 L HA -0.254 4.086 4.340 -0.000 0.000 0.218 1494 L C 2.505 179.450 176.870 0.125 0.000 1.075 1494 L CA 2.175 57.088 54.840 0.122 0.000 0.767 1494 L CB -0.626 41.492 42.059 0.097 0.000 0.890 1494 L HN 0.747 nan 8.230 nan 0.000 0.434 1495 E N -0.018 120.226 120.200 0.075 0.000 2.267 1495 E HA -0.254 4.096 4.350 -0.000 0.000 0.197 1495 E C 1.170 177.782 176.600 0.019 0.000 0.998 1495 E CA 1.438 57.866 56.400 0.047 0.000 0.830 1495 E CB -0.420 29.300 29.700 0.034 0.000 0.751 1495 E HN 0.554 nan 8.360 nan 0.000 0.491 1496 D N 1.548 121.960 120.400 0.020 0.000 1.922 1496 D HA -0.135 4.505 4.640 -0.000 0.000 0.271 1496 D C 1.812 178.068 176.300 -0.074 0.000 1.182 1496 D CA 2.387 56.378 54.000 -0.015 0.000 1.033 1496 D CB -0.317 40.484 40.800 0.002 0.000 1.642 1496 D HN 0.165 nan 8.370 nan 0.000 0.576 1497 A N 0.449 123.180 122.820 -0.150 0.000 1.855 1497 A HA -0.478 3.842 4.320 -0.000 0.000 0.290 1497 A C 1.447 178.904 177.584 -0.212 0.000 3.052 1497 A CA 3.498 55.356 52.037 -0.298 0.000 0.951 1497 A CB -1.404 17.170 19.000 -0.710 0.000 0.770 1497 A HN 0.664 nan 8.150 nan 0.000 0.505 1498 K N -1.920 118.366 120.400 -0.190 0.000 2.914 1498 K HA -0.198 4.122 4.320 -0.000 0.000 0.253 1498 K C -2.147 174.401 176.600 -0.086 0.000 0.986 1498 K CA 0.892 57.119 56.287 -0.100 0.000 0.730 1498 K CB -1.335 31.136 32.500 -0.047 0.000 1.228 1498 K HN 0.520 nan 8.250 nan 0.000 0.483 1499 P HA 0.155 nan 4.420 nan 0.000 0.226 1499 P C -1.901 175.364 177.300 -0.059 0.000 1.832 1499 P CA -1.372 61.679 63.100 -0.081 0.000 1.092 1499 P CB 1.215 32.858 31.700 -0.095 0.000 1.873 1500 P HA -0.237 nan 4.420 nan 0.000 0.216 1500 P C 0.530 177.816 177.300 -0.024 0.000 1.150 1500 P CA 1.378 64.479 63.100 0.002 0.000 0.837 1500 P CB 0.411 32.127 31.700 0.026 0.000 0.786 1501 E N -1.229 118.947 120.200 -0.040 0.000 3.247 1501 E HA -0.268 4.082 4.350 -0.000 0.000 0.424 1501 E C 0.379 176.932 176.600 -0.078 0.000 1.544 1501 E CA 1.756 58.118 56.400 -0.062 0.000 1.208 1501 E CB -1.917 27.733 29.700 -0.083 0.000 1.473 1501 E HN 0.164 nan 8.360 nan 0.000 0.472 1502 K N 2.922 123.228 120.400 -0.157 0.000 2.316 1502 K HA 0.182 4.502 4.320 -0.000 0.000 0.289 1502 K C -1.227 175.272 176.600 -0.169 0.000 1.070 1502 K CA 0.161 56.305 56.287 -0.239 0.000 0.928 1502 K CB 0.943 33.159 32.500 -0.473 0.000 1.039 1502 K HN 0.278 nan 8.250 nan 0.000 0.480 1503 D N 5.241 125.652 120.400 0.019 0.000 2.488 1503 D HA -0.008 4.632 4.640 -0.000 0.000 0.238 1503 D C -1.510 175.077 176.300 0.478 0.000 1.138 1503 D CA -1.234 52.877 54.000 0.185 0.000 0.873 1503 D CB 1.055 41.933 40.800 0.130 0.000 1.183 1503 D HN 0.442 nan 8.370 nan 0.000 0.458 1504 P HA -0.058 nan 4.420 nan 0.000 0.235 1504 P C 0.719 178.095 177.300 0.126 0.000 1.177 1504 P CA 0.442 63.705 63.100 0.272 0.000 0.785 1504 P CB 0.336 32.149 31.700 0.190 0.000 0.885 1505 N N 0.731 119.516 118.700 0.141 0.000 2.381 1505 N HA -0.113 4.627 4.740 -0.000 0.000 0.182 1505 N C 1.185 176.750 175.510 0.091 0.000 1.025 1505 N CA 0.975 54.084 53.050 0.098 0.000 0.888 1505 N CB -0.640 37.900 38.487 0.088 0.000 0.965 1505 N HN -0.055 nan 8.380 nan 0.000 0.438 1506 D N -0.274 120.203 120.400 0.128 0.000 2.350 1506 D HA -0.031 4.609 4.640 -0.000 0.000 0.216 1506 D C 0.254 176.602 176.300 0.079 0.000 0.968 1506 D CA 0.382 54.452 54.000 0.117 0.000 0.894 1506 D CB 0.213 41.122 40.800 0.182 0.000 0.909 1506 D HN 0.360 nan 8.370 nan 0.000 0.520 1507 L N 0.733 121.985 121.223 0.048 0.000 2.421 1507 L HA 0.182 4.522 4.340 -0.000 0.000 0.263 1507 L C 0.895 177.786 176.870 0.036 0.000 1.122 1507 L CA -0.611 54.251 54.840 0.036 0.000 0.804 1507 L CB 0.959 43.021 42.059 0.005 0.000 1.150 1507 L HN -0.126 nan 8.230 nan 0.000 0.457 1508 Q N 1.735 121.554 119.800 0.031 0.000 2.352 1508 Q HA 0.006 4.346 4.340 -0.000 0.000 0.260 1508 Q C 1.048 177.068 176.000 0.032 0.000 0.976 1508 Q CA 0.055 55.870 55.803 0.021 0.000 0.881 1508 Q CB 1.155 29.893 28.738 0.000 0.000 1.235 1508 Q HN 0.534 nan 8.270 nan 0.000 0.419 1509 R N 2.914 123.437 120.500 0.038 0.000 2.143 1509 R HA -0.303 4.037 4.340 -0.000 0.000 0.239 1509 R C 1.815 178.151 176.300 0.059 0.000 1.126 1509 R CA 2.433 58.565 56.100 0.055 0.000 0.927 1509 R CB -0.697 29.642 30.300 0.065 0.000 0.860 1509 R HN 0.824 nan 8.270 nan 0.000 0.433 1510 A N 0.310 123.160 122.820 0.048 0.000 2.042 1510 A HA -0.261 4.059 4.320 -0.000 0.000 0.222 1510 A C 1.749 179.297 177.584 -0.059 0.000 1.167 1510 A CA 2.239 54.287 52.037 0.019 0.000 0.649 1510 A CB -0.718 18.264 19.000 -0.031 0.000 0.809 1510 A HN 0.592 nan 8.150 nan 0.000 0.457 1511 D N -0.958 119.436 120.400 -0.009 0.000 2.091 1511 D HA -0.095 4.545 4.640 -0.000 0.000 0.199 1511 D C 2.292 178.627 176.300 0.058 0.000 0.980 1511 D CA 1.362 55.392 54.000 0.050 0.000 0.831 1511 D CB -0.253 40.630 40.800 0.139 0.000 0.987 1511 D HN 0.593 nan 8.370 nan 0.000 0.460 1512 Q N -0.196 119.629 119.800 0.042 0.000 2.082 1512 Q HA -0.225 4.115 4.340 -0.000 0.000 0.211 1512 Q C 2.194 178.191 176.000 -0.003 0.000 1.002 1512 Q CA 1.405 57.216 55.803 0.013 0.000 0.868 1512 Q CB -0.285 28.473 28.738 0.032 0.000 0.931 1512 Q HN 0.320 nan 8.270 nan 0.000 0.414 1513 I N -0.248 120.355 120.570 0.055 0.000 2.118 1513 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 1513 I C 2.213 178.340 176.117 0.017 0.000 1.070 1513 I CA 1.490 62.832 61.300 0.071 0.000 1.327 1513 I CB -0.968 37.169 38.000 0.229 0.000 1.034 1513 I HN 0.214 nan 8.210 nan 0.000 0.405 1514 Y N 0.644 120.903 120.300 -0.069 0.000 2.181 1514 Y HA -0.293 4.257 4.550 -0.000 0.000 0.284 1514 Y C 2.308 177.975 175.900 -0.389 0.000 1.179 1514 Y CA 1.545 59.525 58.100 -0.201 0.000 1.179 1514 Y CB -0.395 37.873 38.460 -0.319 0.000 0.973 1514 Y HN 0.142 nan 8.280 nan 0.000 0.519 1515 L N 0.553 121.514 121.223 -0.436 0.000 1.960 1515 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 1515 L C 2.359 179.038 176.870 -0.319 0.000 1.090 1515 L CA 2.125 56.657 54.840 -0.513 0.000 0.759 1515 L CB -1.454 40.407 42.059 -0.331 0.000 0.892 1515 L HN 0.328 nan 8.230 nan 0.000 0.436 1516 Q N -0.255 119.453 119.800 -0.153 0.000 2.458 1516 Q HA -0.194 4.146 4.340 -0.000 0.000 0.215 1516 Q C 1.804 177.718 176.000 -0.144 0.000 0.989 1516 Q CA 1.534 57.302 55.803 -0.059 0.000 0.895 1516 Q CB -0.451 28.279 28.738 -0.012 0.000 0.934 1516 Q HN 0.587 nan 8.270 nan 0.000 0.475 1517 L N -1.680 119.354 121.223 -0.314 0.000 2.675 1517 L HA 0.151 4.491 4.340 -0.000 0.000 0.178 1517 L C 1.758 178.170 176.870 -0.764 0.000 1.135 1517 L CA 0.040 54.591 54.840 -0.482 0.000 0.855 1517 L CB -0.186 41.468 42.059 -0.675 0.000 1.235 1517 L HN 0.101 nan 8.230 nan 0.000 0.499 1518 M N -0.305 118.709 119.600 -0.976 0.000 2.394 1518 M HA -0.044 4.436 4.480 -0.000 0.000 0.264 1518 M C 1.655 177.548 176.300 -0.679 0.000 1.073 1518 M CA 1.149 55.864 55.300 -0.975 0.000 1.111 1518 M CB -0.187 31.795 32.600 -1.029 0.000 1.401 1518 M HN 0.003 nan 8.290 nan 0.000 0.448 1519 V N -0.347 119.174 119.914 -0.655 0.000 2.523 1519 V HA -0.064 4.056 4.120 -0.000 0.000 0.226 1519 V C 1.506 177.501 176.094 -0.164 0.000 1.107 1519 V CA 1.169 63.225 62.300 -0.407 0.000 1.121 1519 V CB -0.810 30.733 31.823 -0.466 0.000 0.753 1519 V HN 0.252 nan 8.190 nan 0.000 0.497 1520 N N 0.898 119.551 118.700 -0.078 0.000 2.322 1520 N HA -0.156 4.584 4.740 -0.000 0.000 0.189 1520 N C 1.010 176.652 175.510 0.220 0.000 1.012 1520 N CA 1.360 54.500 53.050 0.150 0.000 0.880 1520 N CB -0.318 38.344 38.487 0.292 0.000 0.967 1520 N HN 0.494 nan 8.380 nan 0.000 0.439 1521 L N -1.094 120.159 121.223 0.050 0.000 3.122 1521 L HA 0.287 4.627 4.340 -0.000 0.000 0.274 1521 L C 1.433 178.212 176.870 -0.153 0.000 1.222 1521 L CA -0.176 54.649 54.840 -0.024 0.000 1.028 1521 L CB 0.039 41.991 42.059 -0.179 0.000 1.386 1521 L HN 0.031 nan 8.230 nan 0.000 0.578 1522 E N 1.888 122.057 120.200 -0.051 0.000 2.054 1522 E HA -0.367 3.983 4.350 -0.000 0.000 0.225 1522 E C 2.116 178.717 176.600 0.001 0.000 1.048 1522 E CA 3.049 59.423 56.400 -0.044 0.000 0.899 1522 E CB 0.011 29.695 29.700 -0.028 0.000 0.801 1522 E HN 0.524 nan 8.360 nan 0.000 0.495 1523 S N -0.442 115.307 115.700 0.082 0.000 2.511 1523 S HA -0.343 4.127 4.470 -0.000 0.000 0.282 1523 S C 1.863 176.564 174.600 0.169 0.000 1.179 1523 S CA 2.424 60.714 58.200 0.149 0.000 1.125 1523 S CB -1.078 62.262 63.200 0.234 0.000 1.035 1523 S HN 0.656 nan 8.310 nan 0.000 0.452 1524 Y N -3.623 116.676 120.300 -0.002 0.000 2.432 1524 Y HA 0.422 4.972 4.550 -0.000 0.000 0.252 1524 Y C 2.010 177.838 175.900 -0.120 0.000 1.097 1524 Y CA -0.695 57.352 58.100 -0.089 0.000 1.250 1524 Y CB -0.728 37.587 38.460 -0.242 0.000 1.245 1524 Y HN 0.235 nan 8.280 nan 0.000 0.522 1525 W N 3.383 124.283 121.300 -0.666 0.000 2.290 1525 W HA -0.253 4.407 4.660 -0.000 0.000 0.318 1525 W C 1.979 178.342 176.519 -0.261 0.000 1.248 1525 W CA 3.184 60.214 57.345 -0.525 0.000 1.263 1525 W CB -0.810 28.394 29.460 -0.426 0.000 1.147 1525 W HN 0.336 nan 8.180 nan 0.000 0.494 1526 G N 0.767 109.593 108.800 0.042 0.000 2.739 1526 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.216 1526 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.216 1526 G C 1.704 176.563 174.900 -0.068 0.000 1.298 1526 G CA 2.868 47.996 45.100 0.047 0.000 0.804 1526 G HN 0.379 nan 8.290 nan 0.000 0.623 1527 S N 0.905 116.578 115.700 -0.046 0.000 2.380 1527 S HA -0.275 4.195 4.470 -0.000 0.000 0.229 1527 S C 2.172 176.705 174.600 -0.112 0.000 1.043 1527 S CA 1.716 59.890 58.200 -0.043 0.000 1.038 1527 S CB -0.540 62.665 63.200 0.009 0.000 0.872 1527 S HN 0.571 nan 8.310 nan 0.000 0.456 1528 R N 0.512 120.884 120.500 -0.214 0.000 2.117 1528 R HA -0.111 4.229 4.340 -0.000 0.000 0.243 1528 R C 1.945 178.027 176.300 -0.363 0.000 1.143 1528 R CA 1.758 57.664 56.100 -0.323 0.000 0.968 1528 R CB -0.284 29.655 30.300 -0.602 0.000 0.863 1528 R HN 0.361 nan 8.270 nan 0.000 0.444 1529 M N 0.162 119.523 119.600 -0.399 0.000 2.357 1529 M HA 0.022 4.502 4.480 -0.000 0.000 0.266 1529 M C 2.044 178.283 176.300 -0.102 0.000 1.095 1529 M CA 1.207 56.343 55.300 -0.274 0.000 1.156 1529 M CB -0.465 31.982 32.600 -0.256 0.000 1.365 1529 M HN 0.166 nan 8.290 nan 0.000 0.447 1530 R N -0.040 120.417 120.500 -0.071 0.000 2.148 1530 R HA 0.001 4.341 4.340 -0.000 0.000 0.227 1530 R C 2.175 178.471 176.300 -0.006 0.000 1.103 1530 R CA 1.282 57.375 56.100 -0.013 0.000 0.983 1530 R CB -0.491 29.811 30.300 0.002 0.000 0.874 1530 R HN 0.305 nan 8.270 nan 0.000 0.451 1531 A N 1.698 124.497 122.820 -0.035 0.000 1.823 1531 A HA -0.083 4.237 4.320 -0.000 0.000 0.214 1531 A C 2.112 179.692 177.584 -0.006 0.000 1.225 1531 A CA 0.735 52.760 52.037 -0.019 0.000 0.604 1531 A CB -0.756 18.222 19.000 -0.037 0.000 0.878 1531 A HN 0.128 nan 8.150 nan 0.000 0.450 1532 L N -0.003 121.198 121.223 -0.035 0.000 2.171 1532 L HA -0.266 4.074 4.340 -0.000 0.000 0.216 1532 L C 2.717 179.612 176.870 0.041 0.000 1.084 1532 L CA 2.127 56.967 54.840 0.000 0.000 0.771 1532 L CB -0.700 41.349 42.059 -0.017 0.000 0.890 1532 L HN 0.477 nan 8.230 nan 0.000 0.437 1533 T N -1.377 113.194 114.554 0.028 0.000 2.612 1533 T HA -0.158 4.192 4.350 -0.000 0.000 0.259 1533 T C 1.934 176.684 174.700 0.084 0.000 1.065 1533 T CA 1.601 63.727 62.100 0.044 0.000 1.167 1533 T CB -0.226 68.662 68.868 0.032 0.000 0.863 1533 T HN 0.070 nan 8.240 nan 0.000 0.407 1534 V N 1.685 121.657 119.914 0.097 0.000 2.250 1534 V HA -0.237 3.883 4.120 -0.000 0.000 0.253 1534 V C 2.602 178.837 176.094 0.236 0.000 1.065 1534 V CA 1.810 64.210 62.300 0.167 0.000 1.039 1534 V CB -1.195 30.702 31.823 0.123 0.000 0.647 1534 V HN 0.306 nan 8.190 nan 0.000 0.446 1535 V N 1.005 121.012 119.914 0.155 0.000 2.220 1535 V HA -0.379 3.741 4.120 -0.000 0.000 0.250 1535 V C 2.751 178.993 176.094 0.246 0.000 1.053 1535 V CA 3.188 65.600 62.300 0.186 0.000 1.019 1535 V CB -1.613 30.269 31.823 0.099 0.000 0.646 1535 V HN 0.837 nan 8.190 nan 0.000 0.455 1536 T N -1.281 113.357 114.554 0.140 0.000 2.946 1536 T HA -0.157 4.193 4.350 -0.000 0.000 0.271 1536 T C 1.645 176.376 174.700 0.051 0.000 1.104 1536 T CA 1.780 63.932 62.100 0.088 0.000 1.114 1536 T CB -0.358 68.544 68.868 0.057 0.000 0.867 1536 T HN 0.691 nan 8.240 nan 0.000 0.513 1537 S N 1.043 116.792 115.700 0.082 0.000 2.748 1537 S HA 0.040 4.510 4.470 -0.000 0.000 0.241 1537 S C 1.794 176.392 174.600 -0.004 0.000 1.064 1537 S CA 0.273 58.487 58.200 0.022 0.000 0.892 1537 S CB -1.176 62.037 63.200 0.021 0.000 0.810 1537 S HN 0.588 nan 8.310 nan 0.000 0.555 1538 Y N 2.947 123.302 120.300 0.093 0.000 2.248 1538 Y HA -0.364 4.186 4.550 -0.000 0.000 0.274 1538 Y C 1.815 177.862 175.900 0.245 0.000 1.277 1538 Y CA 1.976 60.214 58.100 0.229 0.000 1.140 1538 Y CB -1.158 37.454 38.460 0.254 0.000 0.934 1538 Y HN 0.432 nan 8.280 nan 0.000 0.529 1539 E N 1.131 120.827 120.200 -0.840 0.000 1.984 1539 E HA -0.265 4.085 4.350 -0.000 0.000 0.203 1539 E C 2.534 179.058 176.600 -0.125 0.000 0.998 1539 E CA 2.211 58.242 56.400 -0.615 0.000 0.865 1539 E CB -0.472 28.934 29.700 -0.489 0.000 0.806 1539 E HN 0.638 nan 8.360 nan 0.000 0.504 1540 R N 0.696 121.124 120.500 -0.119 0.000 2.096 1540 R HA -0.176 4.164 4.340 -0.000 0.000 0.240 1540 R C 2.137 178.387 176.300 -0.083 0.000 1.139 1540 R CA 1.950 58.010 56.100 -0.067 0.000 0.952 1540 R CB -0.792 29.463 30.300 -0.075 0.000 0.854 1540 R HN 0.328 nan 8.270 nan 0.000 0.436 1541 E N -0.558 119.559 120.200 -0.139 0.000 2.526 1541 E HA -0.212 4.138 4.350 -0.000 0.000 0.206 1541 E C 0.301 176.610 176.600 -0.485 0.000 1.139 1541 E CA 0.622 56.851 56.400 -0.285 0.000 0.913 1541 E CB 0.030 29.545 29.700 -0.307 0.000 0.868 1541 E HN 0.621 nan 8.360 nan 0.000 0.564 1542 Y N -0.772 119.390 120.300 -0.231 0.000 2.886 1542 Y HA 0.119 4.669 4.550 -0.000 0.000 0.244 1542 Y C 1.617 177.567 175.900 0.084 0.000 1.017 1542 Y CA 0.519 58.684 58.100 0.108 0.000 1.389 1542 Y CB -0.329 38.406 38.460 0.458 0.000 1.477 1542 Y HN -0.046 nan 8.280 nan 0.000 0.466 1543 N N 1.574 120.145 118.700 -0.214 0.000 2.060 1543 N HA -0.235 4.505 4.740 -0.000 0.000 0.195 1543 N C 1.503 176.875 175.510 -0.230 0.000 1.028 1543 N CA 2.166 55.041 53.050 -0.293 0.000 0.861 1543 N CB -0.488 37.954 38.487 -0.076 0.000 1.029 1543 N HN 0.614 nan 8.380 nan 0.000 0.428 1544 E N 0.505 120.612 120.200 -0.155 0.000 2.086 1544 E HA -0.192 4.158 4.350 -0.000 0.000 0.200 1544 E C 2.025 178.551 176.600 -0.123 0.000 1.012 1544 E CA 1.031 57.357 56.400 -0.124 0.000 0.812 1544 E CB -0.147 29.481 29.700 -0.119 0.000 0.743 1544 E HN 0.182 nan 8.360 nan 0.000 0.453 1545 L N 0.201 121.339 121.223 -0.142 0.000 1.993 1545 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 1545 L C 2.370 179.187 176.870 -0.089 0.000 1.074 1545 L CA 0.953 55.744 54.840 -0.082 0.000 0.746 1545 L CB -0.734 41.319 42.059 -0.010 0.000 0.896 1545 L HN 0.152 nan 8.230 nan 0.000 0.435 1546 L N -0.275 120.844 121.223 -0.173 0.000 2.151 1546 L HA -0.291 4.049 4.340 -0.000 0.000 0.215 1546 L C 2.334 179.142 176.870 -0.103 0.000 1.084 1546 L CA 2.175 56.914 54.840 -0.168 0.000 0.764 1546 L CB -0.854 40.983 42.059 -0.370 0.000 0.891 1546 L HN 0.281 nan 8.230 nan 0.000 0.435 1547 A N -1.219 121.535 122.820 -0.111 0.000 1.874 1547 A HA -0.154 4.166 4.320 -0.000 0.000 0.214 1547 A C 2.321 179.883 177.584 -0.037 0.000 1.189 1547 A CA 1.396 53.393 52.037 -0.066 0.000 0.615 1547 A CB -0.457 18.502 19.000 -0.069 0.000 0.830 1547 A HN 0.442 nan 8.150 nan 0.000 0.443 1548 K N -0.881 119.496 120.400 -0.039 0.000 2.160 1548 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 1548 K C 1.747 178.352 176.600 0.007 0.000 1.047 1548 K CA 1.450 57.727 56.287 -0.016 0.000 0.930 1548 K CB -0.273 32.216 32.500 -0.019 0.000 0.720 1548 K HN 0.396 nan 8.250 nan 0.000 0.450 1549 L N 0.732 121.957 121.223 0.005 0.000 2.240 1549 L HA -0.041 4.299 4.340 -0.000 0.000 0.211 1549 L C 1.914 178.810 176.870 0.043 0.000 1.106 1549 L CA 1.365 56.224 54.840 0.031 0.000 0.793 1549 L CB -0.078 41.998 42.059 0.029 0.000 0.927 1549 L HN -0.024 nan 8.230 nan 0.000 0.446 1550 R N -0.189 120.323 120.500 0.021 0.000 2.093 1550 R HA -0.057 4.283 4.340 -0.000 0.000 0.224 1550 R C 2.077 178.393 176.300 0.028 0.000 1.101 1550 R CA 0.749 56.864 56.100 0.026 0.000 0.979 1550 R CB -0.444 29.860 30.300 0.006 0.000 0.877 1550 R HN 0.215 nan 8.270 nan 0.000 0.441 1551 K N 0.615 121.024 120.400 0.014 0.000 2.442 1551 K HA -0.055 4.265 4.320 -0.000 0.000 0.198 1551 K C 1.559 178.167 176.600 0.013 0.000 1.044 1551 K CA 0.532 56.819 56.287 0.001 0.000 0.948 1551 K CB 0.178 32.672 32.500 -0.009 0.000 0.762 1551 K HN -0.053 nan 8.250 nan 0.000 0.472 1552 V N -0.221 119.736 119.914 0.072 0.000 2.543 1552 V HA -0.118 4.002 4.120 -0.000 0.000 0.232 1552 V C 1.512 177.714 176.094 0.180 0.000 1.087 1552 V CA 1.097 63.498 62.300 0.168 0.000 1.113 1552 V CB -0.457 31.506 31.823 0.234 0.000 0.779 1552 V HN 0.219 nan 8.190 nan 0.000 0.495 1553 D N 0.851 121.351 120.400 0.166 0.000 2.244 1553 D HA -0.204 4.436 4.640 -0.000 0.000 0.197 1553 D C 1.198 177.558 176.300 0.101 0.000 1.006 1553 D CA 1.520 55.608 54.000 0.148 0.000 0.888 1553 D CB -0.118 40.747 40.800 0.109 0.000 0.912 1553 D HN 0.440 nan 8.370 nan 0.000 0.452 1554 K N -0.543 119.894 120.400 0.061 0.000 3.129 1554 K HA 0.444 4.764 4.320 -0.000 0.000 0.224 1554 K C 0.248 176.846 176.600 -0.003 0.000 1.249 1554 K CA -0.250 56.054 56.287 0.028 0.000 1.177 1554 K CB 1.331 33.840 32.500 0.015 0.000 1.393 1554 K HN -0.010 nan 8.250 nan 0.000 0.459 1555 A N -0.682 122.139 122.820 0.001 0.000 1.626 1555 A HA 0.022 4.342 4.320 -0.000 0.000 0.201 1555 A C 1.407 178.987 177.584 -0.006 0.000 1.920 1555 A CA -0.134 51.861 52.037 -0.069 0.000 1.499 1555 A CB 0.080 18.967 19.000 -0.188 0.000 1.498 1555 A HN 0.078 nan 8.150 nan 0.000 0.333 1556 V N 1.259 121.251 119.914 0.131 0.000 2.594 1556 V HA -0.173 3.947 4.120 -0.000 0.000 0.253 1556 V C 2.560 178.724 176.094 0.117 0.000 1.069 1556 V CA 2.516 64.961 62.300 0.241 0.000 1.082 1556 V CB -0.532 31.507 31.823 0.359 0.000 0.680 1556 V HN 0.530 nan 8.190 nan 0.000 0.469 1557 S N 0.494 116.241 115.700 0.079 0.000 2.336 1557 S HA -0.133 4.337 4.470 -0.000 0.000 0.214 1557 S C 2.323 176.928 174.600 0.008 0.000 1.032 1557 S CA 1.349 59.576 58.200 0.044 0.000 1.001 1557 S CB -0.685 62.536 63.200 0.036 0.000 0.953 1557 S HN 0.631 nan 8.310 nan 0.000 0.430 1558 A N 1.002 123.813 122.820 -0.014 0.000 2.023 1558 A HA -0.187 4.133 4.320 -0.000 0.000 0.223 1558 A C 2.087 179.628 177.584 -0.073 0.000 1.180 1558 A CA 1.567 53.579 52.037 -0.041 0.000 0.659 1558 A CB -0.840 18.126 19.000 -0.058 0.000 0.817 1558 A HN 0.467 nan 8.150 nan 0.000 0.466 1559 L N -2.260 118.912 121.223 -0.086 0.000 2.127 1559 L HA -0.131 4.209 4.340 -0.000 0.000 0.203 1559 L C 2.708 179.540 176.870 -0.062 0.000 1.080 1559 L CA 1.220 55.970 54.840 -0.150 0.000 0.768 1559 L CB -0.392 41.554 42.059 -0.189 0.000 0.924 1559 L HN 0.370 nan 8.230 nan 0.000 0.444 1560 Q N 1.003 120.801 119.800 -0.004 0.000 2.047 1560 Q HA -0.209 4.131 4.340 -0.000 0.000 0.211 1560 Q C 0.304 176.295 176.000 -0.016 0.000 1.005 1560 Q CA 1.767 57.578 55.803 0.014 0.000 0.866 1560 Q CB -0.015 28.737 28.738 0.024 0.000 0.938 1560 Q HN 0.524 nan 8.270 nan 0.000 0.414 1561 E N -0.643 119.544 120.200 -0.021 0.000 2.182 1561 E HA 0.448 4.798 4.350 -0.000 0.000 0.258 1561 E C -1.227 175.354 176.600 -0.031 0.000 0.879 1561 E CA -0.210 56.175 56.400 -0.025 0.000 0.754 1561 E CB 1.529 31.223 29.700 -0.010 0.000 1.162 1561 E HN 0.140 nan 8.360 nan 0.000 0.419 1562 S N 2.467 118.141 115.700 -0.042 0.000 2.855 1562 S HA 0.026 4.496 4.470 -0.000 0.000 0.140 1562 S C 0.048 174.622 174.600 -0.044 0.000 1.025 1562 S CA -0.687 57.495 58.200 -0.030 0.000 1.053 1562 S CB 0.120 63.285 63.200 -0.059 0.000 1.695 1562 S HN 0.498 nan 8.310 nan 0.000 0.502 1563 D N 2.309 122.704 120.400 -0.007 0.000 2.191 1563 D HA -0.200 4.440 4.640 -0.000 0.000 0.195 1563 D C 1.569 177.874 176.300 0.009 0.000 1.003 1563 D CA 1.328 55.327 54.000 -0.001 0.000 0.867 1563 D CB 0.018 40.852 40.800 0.057 0.000 0.926 1563 D HN 0.555 nan 8.370 nan 0.000 0.450 1564 N N 0.758 119.518 118.700 0.100 0.000 2.003 1564 N HA -0.204 4.536 4.740 -0.000 0.000 0.198 1564 N C 2.034 177.453 175.510 -0.152 0.000 1.073 1564 N CA 0.791 53.947 53.050 0.177 0.000 0.875 1564 N CB -0.979 37.673 38.487 0.275 0.000 1.074 1564 N HN 0.186 nan 8.380 nan 0.000 0.435 1565 L N 1.897 123.010 121.223 -0.184 0.000 2.026 1565 L HA -0.295 4.045 4.340 -0.000 0.000 0.231 1565 L C 2.434 178.933 176.870 -0.619 0.000 1.095 1565 L CA 1.959 56.510 54.840 -0.481 0.000 0.810 1565 L CB -0.692 41.095 42.059 -0.454 0.000 0.909 1565 L HN 0.204 nan 8.230 nan 0.000 0.444 1566 R N -0.540 119.653 120.500 -0.511 0.000 2.133 1566 R HA -0.244 4.096 4.340 -0.000 0.000 0.245 1566 R C 2.238 178.303 176.300 -0.392 0.000 1.137 1566 R CA 2.028 57.840 56.100 -0.481 0.000 0.947 1566 R CB -0.748 29.368 30.300 -0.306 0.000 0.865 1566 R HN 0.620 nan 8.270 nan 0.000 0.437 1567 N N 0.074 118.531 118.700 -0.405 0.000 2.043 1567 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 1567 N C 1.957 177.139 175.510 -0.547 0.000 1.037 1567 N CA 1.902 54.641 53.050 -0.518 0.000 0.851 1567 N CB -0.248 37.693 38.487 -0.910 0.000 1.027 1567 N HN 0.040 nan 8.380 nan 0.000 0.422 1568 V N 1.606 121.156 119.914 -0.607 0.000 2.250 1568 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 1568 V C 2.174 178.270 176.094 0.004 0.000 1.060 1568 V CA 1.735 63.841 62.300 -0.323 0.000 1.030 1568 V CB -1.029 30.614 31.823 -0.300 0.000 0.643 1568 V HN 0.085 nan 8.190 nan 0.000 0.445 1569 F N 1.183 120.995 119.950 -0.229 0.000 2.065 1569 F HA -0.180 4.347 4.527 -0.000 0.000 0.298 1569 F C 2.515 178.243 175.800 -0.120 0.000 1.112 1569 F CA 1.338 59.275 58.000 -0.105 0.000 1.212 1569 F CB -1.467 37.443 39.000 -0.150 0.000 0.975 1569 F HN 0.209 nan 8.300 nan 0.000 0.476 1570 N N 0.474 119.178 118.700 0.008 0.000 2.132 1570 N HA -0.171 4.569 4.740 -0.000 0.000 0.191 1570 N C 1.966 177.457 175.510 -0.032 0.000 1.015 1570 N CA 1.833 54.846 53.050 -0.062 0.000 0.864 1570 N CB -0.443 37.977 38.487 -0.112 0.000 1.006 1570 N HN 0.162 nan 8.380 nan 0.000 0.430 1571 V N 1.595 121.466 119.914 -0.072 0.000 2.515 1571 V HA -0.139 3.981 4.120 -0.000 0.000 0.250 1571 V C 2.228 178.358 176.094 0.061 0.000 1.058 1571 V CA 1.066 63.326 62.300 -0.067 0.000 1.064 1571 V CB -0.345 31.368 31.823 -0.184 0.000 0.675 1571 V HN 0.225 nan 8.190 nan 0.000 0.461 1572 I N -0.467 120.182 120.570 0.131 0.000 2.235 1572 I HA -0.154 4.016 4.170 -0.000 0.000 0.241 1572 I C 2.430 178.725 176.117 0.296 0.000 1.085 1572 I CA 1.052 62.503 61.300 0.251 0.000 1.378 1572 I CB -0.518 37.660 38.000 0.297 0.000 1.076 1572 I HN 0.280 nan 8.210 nan 0.000 0.415 1573 L N 1.717 123.108 121.223 0.280 0.000 2.064 1573 L HA -0.281 4.059 4.340 -0.000 0.000 0.216 1573 L C 2.590 179.566 176.870 0.178 0.000 1.077 1573 L CA 2.253 57.230 54.840 0.227 0.000 0.766 1573 L CB -0.762 41.298 42.059 0.002 0.000 0.890 1573 L HN 0.260 nan 8.230 nan 0.000 0.435 1574 A N -0.998 121.905 122.820 0.138 0.000 1.842 1574 A HA -0.222 4.098 4.320 -0.000 0.000 0.217 1574 A C 2.201 179.907 177.584 0.202 0.000 1.206 1574 A CA 2.825 54.944 52.037 0.136 0.000 0.630 1574 A CB -1.382 17.673 19.000 0.092 0.000 0.839 1574 A HN 0.334 nan 8.150 nan 0.000 0.447 1575 V N 0.298 120.349 119.914 0.229 0.000 2.469 1575 V HA -0.189 3.931 4.120 -0.000 0.000 0.251 1575 V C 2.711 179.005 176.094 0.334 0.000 1.064 1575 V CA 1.815 64.308 62.300 0.321 0.000 1.066 1575 V CB -1.965 30.080 31.823 0.369 0.000 0.667 1575 V HN 0.670 nan 8.190 nan 0.000 0.461 1576 G N 0.927 109.890 108.800 0.272 0.000 2.639 1576 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.216 1576 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.216 1576 G C 1.377 176.358 174.900 0.135 0.000 1.267 1576 G CA 1.132 46.331 45.100 0.166 0.000 0.801 1576 G HN 0.522 nan 8.290 nan 0.000 0.592 1577 N N 0.283 119.071 118.700 0.147 0.000 2.096 1577 N HA -0.192 4.548 4.740 -0.000 0.000 0.195 1577 N C 1.959 177.549 175.510 0.133 0.000 1.017 1577 N CA 1.609 54.729 53.050 0.117 0.000 0.870 1577 N CB -0.421 38.137 38.487 0.118 0.000 1.024 1577 N HN 0.362 nan 8.380 nan 0.000 0.434 1578 F N 1.408 121.394 119.950 0.060 0.000 2.216 1578 F HA -0.062 4.465 4.527 -0.000 0.000 0.300 1578 F C 2.262 178.085 175.800 0.039 0.000 1.085 1578 F CA 1.145 59.178 58.000 0.055 0.000 1.326 1578 F CB -0.086 38.958 39.000 0.074 0.000 1.027 1578 F HN -0.043 nan 8.300 nan 0.000 0.497 1579 M N -0.484 119.092 119.600 -0.040 0.000 2.257 1579 M HA -0.034 4.446 4.480 -0.000 0.000 0.260 1579 M C 0.705 176.917 176.300 -0.146 0.000 1.102 1579 M CA 0.368 55.576 55.300 -0.153 0.000 1.169 1579 M CB -0.620 31.953 32.600 -0.045 0.000 1.323 1579 M HN -0.157 nan 8.290 nan 0.000 0.447 1580 N N 2.367 121.019 118.700 -0.081 0.000 2.273 1580 N HA -0.027 4.713 4.740 -0.000 0.000 0.227 1580 N C -0.681 174.784 175.510 -0.076 0.000 1.292 1580 N CA 0.430 53.437 53.050 -0.071 0.000 0.875 1580 N CB 0.098 38.563 38.487 -0.036 0.000 1.105 1580 N HN 0.321 nan 8.380 nan 0.000 0.434 1581 D N -2.025 118.337 120.400 -0.063 0.000 2.387 1581 D HA 0.124 4.764 4.640 -0.000 0.000 0.255 1581 D C 0.822 177.102 176.300 -0.034 0.000 1.081 1581 D CA -0.277 53.689 54.000 -0.057 0.000 0.994 1581 D CB 0.530 41.298 40.800 -0.054 0.000 1.127 1581 D HN 0.522 nan 8.370 nan 0.000 0.513 1582 T N -0.194 114.343 114.554 -0.029 0.000 2.567 1582 T HA -0.334 4.016 4.350 -0.000 0.000 0.261 1582 T C 1.947 176.641 174.700 -0.011 0.000 1.123 1582 T CA 2.880 64.971 62.100 -0.015 0.000 1.166 1582 T CB -1.454 67.406 68.868 -0.014 0.000 0.860 1582 T HN 0.564 nan 8.240 nan 0.000 0.436 1583 S N 1.524 117.216 115.700 -0.014 0.000 2.440 1583 S HA -0.052 4.418 4.470 -0.000 0.000 0.238 1583 S C 1.709 176.303 174.600 -0.009 0.000 1.010 1583 S CA 1.150 59.343 58.200 -0.011 0.000 0.972 1583 S CB -0.423 62.768 63.200 -0.014 0.000 0.774 1583 S HN 0.610 nan 8.310 nan 0.000 0.501 1584 K N 0.459 120.851 120.400 -0.013 0.000 2.397 1584 K HA 0.218 4.538 4.320 -0.000 0.000 0.202 1584 K C 0.075 176.678 176.600 0.005 0.000 1.022 1584 K CA -0.198 56.083 56.287 -0.009 0.000 1.141 1584 K CB 0.284 32.770 32.500 -0.023 0.000 0.857 1584 K HN 0.311 nan 8.250 nan 0.000 0.514 1585 Q N 0.227 120.033 119.800 0.010 0.000 2.443 1585 Q HA 0.403 4.743 4.340 -0.000 0.000 0.232 1585 Q C -0.545 175.475 176.000 0.034 0.000 1.026 1585 Q CA 0.044 55.862 55.803 0.025 0.000 0.924 1585 Q CB 1.602 30.354 28.738 0.023 0.000 1.256 1585 Q HN 0.231 nan 8.270 nan 0.000 0.519 1586 A N 1.155 124.003 122.820 0.046 0.000 2.560 1586 A HA 0.154 4.474 4.320 -0.000 0.000 0.300 1586 A C -0.453 177.151 177.584 0.034 0.000 1.062 1586 A CA -0.551 51.513 52.037 0.045 0.000 0.767 1586 A CB 0.947 19.986 19.000 0.065 0.000 1.288 1586 A HN 0.688 nan 8.150 nan 0.000 0.396 1587 Q N 0.566 120.373 119.800 0.012 0.000 2.362 1587 Q HA 0.365 4.705 4.340 -0.000 0.000 0.215 1587 Q C 0.591 176.562 176.000 -0.048 0.000 0.944 1587 Q CA 0.901 56.696 55.803 -0.013 0.000 0.964 1587 Q CB 0.120 28.850 28.738 -0.012 0.000 0.998 1587 Q HN 1.608 nan 8.270 nan 0.000 0.488 1588 G N 0.745 109.511 108.800 -0.055 0.000 2.307 1588 G HA2 0.141 4.101 3.960 -0.000 0.000 0.348 1588 G HA3 0.141 4.101 3.960 -0.000 0.000 0.348 1588 G C -1.287 173.587 174.900 -0.042 0.000 1.603 1588 G CA -0.912 44.096 45.100 -0.153 0.000 0.961 1588 G HN 0.170 nan 8.290 nan 0.000 0.686 1589 F N -0.597 119.366 119.950 0.022 0.000 2.640 1589 F HA 0.916 5.442 4.527 -0.000 0.000 0.324 1589 F C -0.129 175.690 175.800 0.032 0.000 1.077 1589 F CA -2.037 55.968 58.000 0.008 0.000 0.965 1589 F CB 1.076 40.061 39.000 -0.026 0.000 1.351 1589 F HN 0.544 nan 8.300 nan 0.000 0.487 1590 K N 1.193 121.844 120.400 0.419 0.000 2.090 1590 K HA 0.443 4.763 4.320 -0.000 0.000 0.249 1590 K C 0.796 177.534 176.600 0.231 0.000 0.995 1590 K CA -0.753 55.706 56.287 0.287 0.000 0.914 1590 K CB 1.890 34.472 32.500 0.138 0.000 1.057 1590 K HN 0.723 nan 8.250 nan 0.000 0.462 1591 L N 1.015 122.321 121.223 0.138 0.000 2.127 1591 L HA -0.245 4.095 4.340 -0.000 0.000 0.211 1591 L C 2.378 179.177 176.870 -0.118 0.000 1.089 1591 L CA 1.533 56.346 54.840 -0.045 0.000 0.757 1591 L CB -0.607 41.358 42.059 -0.157 0.000 0.899 1591 L HN 0.777 nan 8.230 nan 0.000 0.434 1592 S N -1.817 113.849 115.700 -0.058 0.000 2.512 1592 S HA -0.205 4.265 4.470 -0.000 0.000 0.253 1592 S C 1.727 176.258 174.600 -0.114 0.000 0.984 1592 S CA 1.678 59.842 58.200 -0.060 0.000 0.962 1592 S CB -0.700 62.486 63.200 -0.022 0.000 0.747 1592 S HN 0.416 nan 8.310 nan 0.000 0.525 1593 T N 2.537 116.961 114.554 -0.217 0.000 2.894 1593 T HA 0.226 4.576 4.350 -0.000 0.000 0.258 1593 T C 1.651 176.145 174.700 -0.344 0.000 1.043 1593 T CA 0.942 62.824 62.100 -0.362 0.000 1.141 1593 T CB -0.413 67.984 68.868 -0.785 0.000 0.873 1593 T HN 0.338 nan 8.240 nan 0.000 0.449 1594 L N 1.689 122.696 121.223 -0.360 0.000 1.997 1594 L HA -0.320 4.020 4.340 -0.000 0.000 0.227 1594 L C 2.967 179.773 176.870 -0.107 0.000 1.087 1594 L CA 2.121 56.802 54.840 -0.266 0.000 0.797 1594 L CB -0.999 40.912 42.059 -0.247 0.000 0.902 1594 L HN 0.457 nan 8.230 nan 0.000 0.441 1595 Q N 1.316 121.067 119.800 -0.082 0.000 2.368 1595 Q HA -0.212 4.128 4.340 -0.000 0.000 0.210 1595 Q C 1.166 177.055 176.000 -0.185 0.000 0.982 1595 Q CA 1.430 57.184 55.803 -0.082 0.000 0.884 1595 Q CB -0.439 28.283 28.738 -0.027 0.000 0.933 1595 Q HN 0.657 nan 8.270 nan 0.000 0.460 1596 R N 0.239 120.671 120.500 -0.115 0.000 2.831 1596 R HA 0.320 4.660 4.340 -0.000 0.000 0.337 1596 R C 0.747 176.994 176.300 -0.089 0.000 1.200 1596 R CA -0.190 55.878 56.100 -0.053 0.000 1.088 1596 R CB 0.144 30.537 30.300 0.155 0.000 1.397 1596 R HN 0.180 nan 8.270 nan 0.000 0.581 1597 L N -0.737 120.411 121.223 -0.124 0.000 2.316 1597 L HA 0.110 4.450 4.340 -0.000 0.000 0.207 1597 L C 1.541 178.433 176.870 0.036 0.000 1.070 1597 L CA 0.571 55.431 54.840 0.034 0.000 0.820 1597 L CB -0.079 42.076 42.059 0.160 0.000 0.992 1597 L HN 0.187 nan 8.230 nan 0.000 0.466 1598 T N 0.366 114.824 114.554 -0.161 0.000 2.881 1598 T HA -0.097 4.253 4.350 -0.000 0.000 0.270 1598 T C 1.601 176.222 174.700 -0.132 0.000 1.068 1598 T CA 1.341 63.328 62.100 -0.188 0.000 1.131 1598 T CB -0.195 68.472 68.868 -0.334 0.000 0.871 1598 T HN 0.068 nan 8.240 nan 0.000 0.479 1599 F N 1.347 121.317 119.950 0.034 0.000 2.163 1599 F HA 0.163 4.690 4.527 -0.000 0.000 0.297 1599 F C 1.257 177.060 175.800 0.005 0.000 1.094 1599 F CA -0.534 57.472 58.000 0.010 0.000 1.290 1599 F CB -0.722 38.270 39.000 -0.014 0.000 1.017 1599 F HN 0.069 nan 8.300 nan 0.000 0.483 1600 I N 2.993 123.657 120.570 0.157 0.000 2.933 1600 I HA -0.104 4.066 4.170 -0.000 0.000 0.301 1600 I C 0.563 176.740 176.117 0.100 0.000 1.163 1600 I CA 0.252 61.583 61.300 0.051 0.000 1.629 1600 I CB -1.342 36.581 38.000 -0.128 0.000 1.530 1600 I HN -0.014 nan 8.210 nan 0.000 0.755 1601 K N 4.924 125.377 120.400 0.087 0.000 2.102 1601 K HA 0.172 4.492 4.320 -0.000 0.000 0.244 1601 K C 0.612 177.247 176.600 0.057 0.000 1.021 1601 K CA -0.467 55.871 56.287 0.085 0.000 0.913 1601 K CB 1.311 33.855 32.500 0.073 0.000 1.062 1601 K HN 0.498 nan 8.250 nan 0.000 0.485 1602 D N -0.866 119.565 120.400 0.051 0.000 2.430 1602 D HA -0.002 4.638 4.640 -0.000 0.000 0.285 1602 D C 0.964 177.273 176.300 0.016 0.000 1.210 1602 D CA 0.067 54.073 54.000 0.011 0.000 1.080 1602 D CB -0.256 40.547 40.800 0.006 0.000 1.134 1602 D HN 0.506 nan 8.370 nan 0.000 0.562 1603 T N -2.275 112.287 114.554 0.012 0.000 2.643 1603 T HA -0.139 4.211 4.350 -0.000 0.000 0.256 1603 T C 1.864 176.579 174.700 0.026 0.000 1.061 1603 T CA 2.097 64.207 62.100 0.017 0.000 1.163 1603 T CB -1.500 67.379 68.868 0.018 0.000 0.865 1603 T HN 0.593 nan 8.240 nan 0.000 0.407 1604 T N 0.352 114.927 114.554 0.035 0.000 3.658 1604 T HA 0.060 4.410 4.350 -0.000 0.000 0.250 1604 T C 0.731 175.456 174.700 0.041 0.000 1.060 1604 T CA 0.472 62.595 62.100 0.038 0.000 0.962 1604 T CB -2.003 66.891 68.868 0.043 0.000 1.075 1604 T HN 0.562 nan 8.240 nan 0.000 0.610 1605 N N 0.205 118.930 118.700 0.041 0.000 2.704 1605 N HA -0.213 4.527 4.740 -0.000 0.000 0.259 1605 N C 0.637 176.177 175.510 0.049 0.000 0.957 1605 N CA 0.860 53.938 53.050 0.046 0.000 0.804 1605 N CB -0.963 37.548 38.487 0.041 0.000 0.917 1605 N HN 0.511 nan 8.380 nan 0.000 0.545 1606 S N -1.238 114.497 115.700 0.058 0.000 2.506 1606 S HA 0.254 4.724 4.470 -0.000 0.000 0.219 1606 S C 0.382 175.023 174.600 0.068 0.000 1.031 1606 S CA 0.052 58.285 58.200 0.055 0.000 0.911 1606 S CB 0.382 63.616 63.200 0.056 0.000 0.812 1606 S HN 0.328 nan 8.310 nan 0.000 0.497 1607 M N 1.322 120.980 119.600 0.097 0.000 2.456 1607 M HA 0.378 4.858 4.480 -0.000 0.000 0.324 1607 M C -0.537 175.834 176.300 0.119 0.000 1.124 1607 M CA -0.099 55.282 55.300 0.134 0.000 0.959 1607 M CB 1.557 34.311 32.600 0.257 0.000 1.692 1607 M HN -0.149 nan 8.290 nan 0.000 0.444 1608 T N 1.324 115.942 114.554 0.107 0.000 2.767 1608 T HA 0.286 4.636 4.350 -0.000 0.000 0.284 1608 T C 0.826 175.623 174.700 0.162 0.000 0.973 1608 T CA -0.344 61.820 62.100 0.107 0.000 0.996 1608 T CB 0.350 69.248 68.868 0.048 0.000 0.927 1608 T HN 0.522 nan 8.240 nan 0.000 0.456 1609 F N 5.091 125.062 119.950 0.036 0.000 2.082 1609 F HA -0.201 4.326 4.527 -0.000 0.000 0.298 1609 F C 1.741 177.594 175.800 0.088 0.000 1.091 1609 F CA 1.802 59.831 58.000 0.049 0.000 1.230 1609 F CB -0.376 38.635 39.000 0.018 0.000 0.983 1609 F HN 0.577 nan 8.300 nan 0.000 0.485 1610 L N 0.688 121.966 121.223 0.091 0.000 2.351 1610 L HA -0.247 4.093 4.340 -0.000 0.000 0.220 1610 L C 1.777 178.551 176.870 -0.160 0.000 1.127 1610 L CA 1.830 56.648 54.840 -0.037 0.000 0.786 1610 L CB -1.192 40.880 42.059 0.021 0.000 0.914 1610 L HN 0.284 nan 8.230 nan 0.000 0.443 1611 N N -2.329 116.318 118.700 -0.089 0.000 2.083 1611 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 1611 N C 1.642 177.076 175.510 -0.128 0.000 1.047 1611 N CA 1.308 54.292 53.050 -0.111 0.000 0.845 1611 N CB -0.347 38.134 38.487 -0.010 0.000 1.025 1611 N HN 0.193 nan 8.380 nan 0.000 0.428 1612 Y N 1.835 122.012 120.300 -0.205 0.000 2.069 1612 Y HA -0.278 4.272 4.550 -0.000 0.000 0.278 1612 Y C 2.492 178.258 175.900 -0.225 0.000 1.175 1612 Y CA 1.080 59.062 58.100 -0.196 0.000 1.134 1612 Y CB -0.890 37.438 38.460 -0.221 0.000 0.965 1612 Y HN -0.121 nan 8.280 nan 0.000 0.498 1613 V N 0.101 119.883 119.914 -0.220 0.000 2.250 1613 V HA -0.351 3.769 4.120 -0.000 0.000 0.250 1613 V C 2.451 178.543 176.094 -0.004 0.000 1.060 1613 V CA 2.337 64.545 62.300 -0.153 0.000 1.030 1613 V CB -0.609 31.103 31.823 -0.185 0.000 0.643 1613 V HN 0.431 nan 8.190 nan 0.000 0.445 1614 E N 0.400 120.523 120.200 -0.127 0.000 2.007 1614 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 1614 E C 2.355 178.938 176.600 -0.030 0.000 0.999 1614 E CA 1.686 58.001 56.400 -0.143 0.000 0.811 1614 E CB -0.239 29.124 29.700 -0.562 0.000 0.762 1614 E HN 0.546 nan 8.360 nan 0.000 0.450 1615 K N 0.321 120.645 120.400 -0.126 0.000 2.052 1615 K HA -0.207 4.113 4.320 -0.000 0.000 0.215 1615 K C 2.402 178.979 176.600 -0.038 0.000 1.053 1615 K CA 1.940 58.152 56.287 -0.125 0.000 0.934 1615 K CB -0.440 31.894 32.500 -0.276 0.000 0.717 1615 K HN 0.244 nan 8.250 nan 0.000 0.450 1616 I N 0.590 121.144 120.570 -0.025 0.000 2.145 1616 I HA -0.343 3.827 4.170 -0.000 0.000 0.244 1616 I C 2.320 178.556 176.117 0.197 0.000 1.075 1616 I CA 1.288 62.634 61.300 0.076 0.000 1.332 1616 I CB -0.384 37.665 38.000 0.081 0.000 1.033 1616 I HN 0.027 nan 8.210 nan 0.000 0.410 1617 V N 0.554 120.594 119.914 0.210 0.000 2.216 1617 V HA -0.319 3.801 4.120 -0.000 0.000 0.242 1617 V C 2.540 178.828 176.094 0.324 0.000 1.042 1617 V CA 2.128 64.628 62.300 0.333 0.000 0.991 1617 V CB -0.690 31.361 31.823 0.380 0.000 0.633 1617 V HN 0.386 nan 8.190 nan 0.000 0.449 1618 R N -0.316 120.320 120.500 0.227 0.000 2.244 1618 R HA -0.166 4.174 4.340 -0.000 0.000 0.252 1618 R C 0.928 177.286 176.300 0.097 0.000 1.177 1618 R CA 1.342 57.528 56.100 0.144 0.000 1.004 1618 R CB -0.197 30.154 30.300 0.085 0.000 0.873 1618 R HN 0.494 nan 8.270 nan 0.000 0.469 1619 L N 0.130 121.414 121.223 0.102 0.000 3.100 1619 L HA 0.302 4.642 4.340 -0.000 0.000 0.259 1619 L C 0.015 176.926 176.870 0.067 0.000 1.316 1619 L CA -0.210 54.662 54.840 0.053 0.000 0.992 1619 L CB 0.509 42.575 42.059 0.012 0.000 1.390 1619 L HN 0.202 nan 8.230 nan 0.000 0.550 1620 N N -0.595 118.160 118.700 0.092 0.000 2.408 1620 N HA -0.024 4.716 4.740 -0.000 0.000 0.332 1620 N C -0.495 174.838 175.510 -0.294 0.000 0.852 1620 N CA 0.269 53.286 53.050 -0.055 0.000 0.870 1620 N CB 0.725 39.296 38.487 0.141 0.000 2.360 1620 N HN 0.214 nan 8.380 nan 0.000 1.062 1621 Y N 0.371 120.714 120.300 0.072 0.000 2.919 1621 Y HA 0.346 4.896 4.550 -0.000 0.000 0.245 1621 Y C -2.290 173.625 175.900 0.024 0.000 0.959 1621 Y CA -1.084 57.027 58.100 0.019 0.000 1.118 1621 Y CB 0.380 38.993 38.460 0.256 0.000 1.224 1621 Y HN -0.068 nan 8.280 nan 0.000 0.658 1622 P HA 0.002 nan 4.420 nan 0.000 0.288 1622 P C 0.401 177.725 177.300 0.039 0.000 1.448 1622 P CA 0.724 63.893 63.100 0.115 0.000 0.764 1622 P CB -0.106 31.631 31.700 0.062 0.000 1.472 1623 S N -2.572 113.095 115.700 -0.054 0.000 2.540 1623 S HA 0.218 4.688 4.470 -0.000 0.000 0.218 1623 S C 0.897 175.413 174.600 -0.140 0.000 0.977 1623 S CA -0.220 57.882 58.200 -0.164 0.000 0.918 1623 S CB -0.426 62.586 63.200 -0.313 0.000 0.806 1623 S HN 0.040 nan 8.310 nan 0.000 0.496 1624 F N 1.471 121.507 119.950 0.142 0.000 2.712 1624 F HA 0.386 4.913 4.527 -0.000 0.000 0.297 1624 F C 1.027 176.945 175.800 0.197 0.000 1.114 1624 F CA -0.784 57.321 58.000 0.176 0.000 1.305 1624 F CB -0.528 38.593 39.000 0.203 0.000 1.086 1624 F HN 0.073 nan 8.300 nan 0.000 0.599 1625 N N 0.991 119.853 118.700 0.270 0.000 2.626 1625 N HA -0.071 4.669 4.740 -0.000 0.000 0.226 1625 N C 0.609 176.058 175.510 -0.102 0.000 1.376 1625 N CA 0.446 53.505 53.050 0.014 0.000 0.894 1625 N CB -0.543 37.954 38.487 0.016 0.000 1.218 1625 N HN 0.308 nan 8.380 nan 0.000 0.492 1626 D N -1.118 119.292 120.400 0.017 0.000 2.388 1626 D HA -0.041 4.599 4.640 -0.000 0.000 0.208 1626 D C 1.596 177.887 176.300 -0.015 0.000 1.035 1626 D CA 0.104 54.101 54.000 -0.005 0.000 0.875 1626 D CB 0.035 40.871 40.800 0.061 0.000 0.984 1626 D HN 0.442 nan 8.370 nan 0.000 0.508 1627 F N 1.242 121.188 119.950 -0.006 0.000 2.202 1627 F HA -0.042 4.485 4.527 -0.000 0.000 0.301 1627 F C 1.623 177.377 175.800 -0.078 0.000 1.082 1627 F CA 0.723 58.689 58.000 -0.057 0.000 1.313 1627 F CB -0.911 38.041 39.000 -0.080 0.000 1.024 1627 F HN -0.198 nan 8.300 nan 0.000 0.495 1628 L N 0.503 121.230 121.223 -0.827 0.000 2.747 1628 L HA 0.109 4.449 4.340 -0.000 0.000 0.248 1628 L C 0.758 177.470 176.870 -0.264 0.000 1.191 1628 L CA 0.252 54.725 54.840 -0.612 0.000 1.003 1628 L CB -0.687 40.907 42.059 -0.775 0.000 1.235 1628 L HN 0.340 nan 8.230 nan 0.000 0.426 1629 S N -2.169 113.435 115.700 -0.161 0.000 3.770 1629 S HA 0.022 4.491 4.470 -0.000 0.000 0.238 1629 S C 1.433 176.000 174.600 -0.056 0.000 1.143 1629 S CA -0.473 57.671 58.200 -0.093 0.000 0.869 1629 S CB 0.235 63.389 63.200 -0.077 0.000 1.057 1629 S HN 0.294 nan 8.310 nan 0.000 0.507 1630 E N 2.189 122.369 120.200 -0.035 0.000 2.049 1630 E HA -0.079 4.271 4.350 -0.000 0.000 0.198 1630 E C 1.041 177.625 176.600 -0.027 0.000 1.007 1630 E CA 1.145 57.535 56.400 -0.017 0.000 0.809 1630 E CB -0.414 29.291 29.700 0.009 0.000 0.749 1630 E HN 0.343 nan 8.360 nan 0.000 0.450 1631 L N 1.293 122.507 121.223 -0.016 0.000 2.693 1631 L HA -0.008 4.332 4.340 -0.000 0.000 0.242 1631 L C 2.137 178.979 176.870 -0.047 0.000 1.157 1631 L CA 0.094 54.912 54.840 -0.037 0.000 0.929 1631 L CB -0.248 41.808 42.059 -0.004 0.000 1.103 1631 L HN 0.203 nan 8.230 nan 0.000 0.430 1632 E N 1.270 121.440 120.200 -0.049 0.000 2.072 1632 E HA -0.152 4.198 4.350 -0.000 0.000 0.191 1632 E C -0.600 175.958 176.600 -0.070 0.000 0.985 1632 E CA 0.733 57.102 56.400 -0.052 0.000 0.801 1632 E CB -0.359 29.312 29.700 -0.048 0.000 0.750 1632 E HN 0.309 nan 8.360 nan 0.000 0.452 1633 P HA -0.199 nan 4.420 nan 0.000 0.219 1633 P C 1.426 178.634 177.300 -0.153 0.000 1.145 1633 P CA 0.973 64.018 63.100 -0.091 0.000 0.813 1633 P CB -0.020 31.637 31.700 -0.073 0.000 0.771 1634 V N -0.289 119.516 119.914 -0.181 0.000 2.453 1634 V HA -0.166 3.954 4.120 -0.000 0.000 0.247 1634 V C 2.627 178.581 176.094 -0.232 0.000 1.048 1634 V CA 1.291 63.406 62.300 -0.309 0.000 1.049 1634 V CB -0.893 30.796 31.823 -0.224 0.000 0.672 1634 V HN 0.032 nan 8.190 nan 0.000 0.457 1635 L N -0.680 120.477 121.223 -0.111 0.000 2.141 1635 L HA -0.136 4.204 4.340 -0.000 0.000 0.209 1635 L C 2.045 178.874 176.870 -0.068 0.000 1.094 1635 L CA 1.447 56.252 54.840 -0.058 0.000 0.763 1635 L CB -0.794 41.248 42.059 -0.028 0.000 0.908 1635 L HN 0.326 nan 8.230 nan 0.000 0.437 1636 D N 0.634 120.983 120.400 -0.086 0.000 2.400 1636 D HA -0.051 4.589 4.640 -0.000 0.000 0.242 1636 D C 0.891 177.149 176.300 -0.071 0.000 1.077 1636 D CA 0.796 54.755 54.000 -0.067 0.000 0.943 1636 D CB 0.374 41.136 40.800 -0.063 0.000 0.882 1636 D HN 0.344 nan 8.370 nan 0.000 0.529 1637 V N -4.332 115.522 119.914 -0.101 0.000 3.590 1637 V HA 0.084 4.204 4.120 -0.000 0.000 0.389 1637 V C 1.708 177.809 176.094 0.012 0.000 1.545 1637 V CA -0.365 61.896 62.300 -0.065 0.000 1.448 1637 V CB -0.080 31.665 31.823 -0.130 0.000 1.105 1637 V HN -0.186 nan 8.190 nan 0.000 0.537 1638 V N 1.134 121.060 119.914 0.019 0.000 2.250 1638 V HA -0.231 3.889 4.120 -0.000 0.000 0.250 1638 V C 2.544 178.722 176.094 0.140 0.000 1.060 1638 V CA 2.695 65.056 62.300 0.102 0.000 1.030 1638 V CB -0.361 31.503 31.823 0.068 0.000 0.643 1638 V HN 0.603 nan 8.190 nan 0.000 0.445 1639 K N -0.365 120.087 120.400 0.088 0.000 2.444 1639 K HA 0.176 4.496 4.320 -0.000 0.000 0.193 1639 K C 0.455 177.102 176.600 0.079 0.000 1.024 1639 K CA 0.027 56.359 56.287 0.075 0.000 1.077 1639 K CB 0.348 32.873 32.500 0.042 0.000 0.833 1639 K HN 0.375 nan 8.250 nan 0.000 0.517 1640 V N 2.317 122.295 119.914 0.107 0.000 2.493 1640 V HA -0.052 4.068 4.120 -0.000 0.000 0.292 1640 V C 0.242 176.392 176.094 0.093 0.000 1.016 1640 V CA 0.315 62.672 62.300 0.096 0.000 1.097 1640 V CB 0.751 32.641 31.823 0.112 0.000 0.947 1640 V HN 0.142 nan 8.190 nan 0.000 0.479 1641 S N 6.783 122.508 115.700 0.042 0.000 3.024 1641 S HA 0.127 4.597 4.470 -0.000 0.000 0.316 1641 S C 1.142 175.739 174.600 -0.006 0.000 1.197 1641 S CA -0.039 58.167 58.200 0.010 0.000 1.097 1641 S CB -0.351 62.847 63.200 -0.004 0.000 1.471 1641 S HN 0.785 nan 8.310 nan 0.000 0.543 1642 I N 3.465 124.023 120.570 -0.020 0.000 2.493 1642 I HA -0.095 4.075 4.170 -0.000 0.000 0.254 1642 I C 1.925 177.961 176.117 -0.134 0.000 1.160 1642 I CA 1.454 62.696 61.300 -0.097 0.000 1.445 1642 I CB 0.066 37.922 38.000 -0.239 0.000 1.086 1642 I HN 0.598 nan 8.210 nan 0.000 0.433 1643 E N 0.226 120.362 120.200 -0.108 0.000 2.511 1643 E HA -0.209 4.141 4.350 -0.000 0.000 0.196 1643 E C 1.695 178.266 176.600 -0.049 0.000 1.066 1643 E CA 0.528 56.875 56.400 -0.088 0.000 0.871 1643 E CB 0.205 29.862 29.700 -0.071 0.000 0.863 1643 E HN 0.477 nan 8.360 nan 0.000 0.520 1644 Q N -0.969 118.809 119.800 -0.037 0.000 2.164 1644 Q HA 0.217 4.557 4.340 -0.000 0.000 0.226 1644 Q C 1.049 177.043 176.000 -0.009 0.000 0.813 1644 Q CA -0.101 55.691 55.803 -0.017 0.000 0.978 1644 Q CB 0.340 29.070 28.738 -0.014 0.000 1.149 1644 Q HN 0.331 nan 8.270 nan 0.000 0.489 1645 L N -0.915 120.299 121.223 -0.016 0.000 2.049 1645 L HA -0.010 4.330 4.340 -0.000 0.000 0.203 1645 L C 1.603 178.477 176.870 0.006 0.000 1.074 1645 L CA 1.484 56.322 54.840 -0.004 0.000 0.749 1645 L CB -0.706 41.349 42.059 -0.006 0.000 0.907 1645 L HN 0.068 nan 8.230 nan 0.000 0.439 1646 V N 0.941 120.849 119.914 -0.010 0.000 2.215 1646 V HA -0.408 3.712 4.120 -0.000 0.000 0.249 1646 V C 2.407 178.517 176.094 0.027 0.000 1.054 1646 V CA 2.407 64.709 62.300 0.004 0.000 1.012 1646 V CB -1.063 30.747 31.823 -0.021 0.000 0.639 1646 V HN 0.573 nan 8.190 nan 0.000 0.448 1647 N N 0.074 118.783 118.700 0.016 0.000 2.192 1647 N HA -0.211 4.529 4.740 -0.000 0.000 0.188 1647 N C 1.489 177.026 175.510 0.045 0.000 1.013 1647 N CA 1.776 54.843 53.050 0.028 0.000 0.863 1647 N CB -0.406 38.091 38.487 0.016 0.000 0.990 1647 N HN 0.575 nan 8.380 nan 0.000 0.430 1648 D N 0.594 121.017 120.400 0.039 0.000 2.178 1648 D HA -0.052 4.588 4.640 -0.000 0.000 0.202 1648 D C 2.016 178.375 176.300 0.098 0.000 0.974 1648 D CA 0.539 54.567 54.000 0.046 0.000 0.841 1648 D CB -0.284 40.526 40.800 0.017 0.000 0.953 1648 D HN 0.287 nan 8.370 nan 0.000 0.478 1649 C N 0.878 120.247 119.300 0.115 0.000 2.466 1649 C HA -0.020 4.440 4.460 -0.000 0.000 0.278 1649 C C 2.399 177.499 174.990 0.183 0.000 1.288 1649 C CA 0.194 59.330 59.018 0.196 0.000 1.722 1649 C CB -0.470 27.361 27.740 0.152 0.000 2.017 1649 C HN 0.345 nan 8.230 nan 0.000 0.488 1650 K N 0.589 121.056 120.400 0.111 0.000 2.360 1650 K HA -0.160 4.160 4.320 -0.000 0.000 0.201 1650 K C 1.316 177.979 176.600 0.103 0.000 1.046 1650 K CA 1.384 57.723 56.287 0.086 0.000 0.945 1650 K CB -0.188 32.346 32.500 0.057 0.000 0.750 1650 K HN 0.472 nan 8.250 nan 0.000 0.464 1651 D N 0.149 120.626 120.400 0.128 0.000 2.162 1651 D HA -0.102 4.538 4.640 -0.000 0.000 0.205 1651 D C 1.509 177.937 176.300 0.212 0.000 0.964 1651 D CA 0.381 54.459 54.000 0.129 0.000 0.847 1651 D CB 0.077 40.934 40.800 0.094 0.000 0.988 1651 D HN -0.035 nan 8.370 nan 0.000 0.480 1652 F N 1.884 121.867 119.950 0.055 0.000 2.011 1652 F HA -0.234 4.293 4.527 -0.000 0.000 0.296 1652 F C 2.496 178.335 175.800 0.066 0.000 1.144 1652 F CA 2.053 60.098 58.000 0.075 0.000 1.185 1652 F CB -1.269 37.793 39.000 0.103 0.000 0.961 1652 F HN 0.054 nan 8.300 nan 0.000 0.485 1653 S N 0.320 116.080 115.700 0.100 0.000 2.378 1653 S HA -0.337 4.133 4.470 -0.000 0.000 0.221 1653 S C 1.870 176.469 174.600 -0.002 0.000 1.037 1653 S CA 1.353 59.494 58.200 -0.098 0.000 1.069 1653 S CB -1.255 61.894 63.200 -0.085 0.000 1.006 1653 S HN 0.485 nan 8.310 nan 0.000 0.423 1654 Q N 1.488 121.311 119.800 0.038 0.000 2.376 1654 Q HA -0.077 4.263 4.340 -0.000 0.000 0.211 1654 Q C 2.130 178.160 176.000 0.050 0.000 0.986 1654 Q CA 1.524 57.348 55.803 0.036 0.000 0.886 1654 Q CB -0.801 27.963 28.738 0.042 0.000 0.927 1654 Q HN 0.647 nan 8.270 nan 0.000 0.457 1655 S N -1.302 114.451 115.700 0.088 0.000 2.362 1655 S HA -0.006 4.464 4.470 -0.000 0.000 0.221 1655 S C 1.777 176.418 174.600 0.068 0.000 1.032 1655 S CA 0.795 59.051 58.200 0.093 0.000 0.973 1655 S CB -0.170 63.117 63.200 0.146 0.000 0.849 1655 S HN 0.498 nan 8.310 nan 0.000 0.465 1656 I N 1.466 122.073 120.570 0.061 0.000 2.163 1656 I HA -0.104 4.066 4.170 -0.000 0.000 0.240 1656 I C 1.860 177.965 176.117 -0.020 0.000 1.081 1656 I CA 0.959 62.263 61.300 0.006 0.000 1.353 1656 I CB -0.257 37.709 38.000 -0.057 0.000 1.054 1656 I HN 0.133 nan 8.210 nan 0.000 0.407 1657 V N 1.599 121.497 119.914 -0.026 0.000 3.362 1657 V HA -0.216 3.904 4.120 -0.000 0.000 0.275 1657 V C 1.337 177.427 176.094 -0.008 0.000 1.208 1657 V CA 1.372 63.657 62.300 -0.026 0.000 1.195 1657 V CB -1.243 30.567 31.823 -0.022 0.000 0.843 1657 V HN 0.481 nan 8.190 nan 0.000 0.556 1658 N N -1.490 117.212 118.700 0.003 0.000 2.211 1658 N HA 0.106 4.846 4.740 -0.000 0.000 0.216 1658 N C 1.345 176.862 175.510 0.012 0.000 1.240 1658 N CA 0.328 53.386 53.050 0.012 0.000 0.895 1658 N CB 1.484 39.986 38.487 0.024 0.000 1.102 1658 N HN 0.352 nan 8.380 nan 0.000 0.498 1659 V N 1.125 121.044 119.914 0.007 0.000 3.129 1659 V HA -0.010 4.110 4.120 -0.000 0.000 0.259 1659 V C 2.168 178.260 176.094 -0.003 0.000 1.116 1659 V CA 1.054 63.357 62.300 0.005 0.000 1.127 1659 V CB -0.012 31.811 31.823 0.000 0.000 0.742 1659 V HN 0.261 nan 8.190 nan 0.000 0.474 1660 E N 0.984 121.177 120.200 -0.013 0.000 1.998 1660 E HA -0.219 4.131 4.350 -0.000 0.000 0.195 1660 E C 2.440 179.036 176.600 -0.006 0.000 0.994 1660 E CA 0.958 57.346 56.400 -0.019 0.000 0.835 1660 E CB -0.221 29.461 29.700 -0.030 0.000 0.786 1660 E HN 0.282 nan 8.360 nan 0.000 0.467 1661 R N 0.353 120.851 120.500 -0.003 0.000 2.208 1661 R HA -0.254 4.086 4.340 -0.000 0.000 0.262 1661 R C 2.416 178.723 176.300 0.013 0.000 1.166 1661 R CA 2.262 58.365 56.100 0.004 0.000 0.987 1661 R CB -0.519 29.786 30.300 0.008 0.000 0.887 1661 R HN 0.320 nan 8.270 nan 0.000 0.459 1662 S N -0.839 114.873 115.700 0.020 0.000 2.406 1662 S HA -0.043 4.427 4.470 -0.000 0.000 0.228 1662 S C 2.007 176.633 174.600 0.043 0.000 1.020 1662 S CA 1.056 59.277 58.200 0.036 0.000 0.965 1662 S CB -0.148 63.077 63.200 0.041 0.000 0.798 1662 S HN 0.191 nan 8.310 nan 0.000 0.488 1663 V N 1.837 121.767 119.914 0.027 0.000 2.594 1663 V HA -0.123 3.997 4.120 -0.000 0.000 0.253 1663 V C 2.304 178.401 176.094 0.005 0.000 1.069 1663 V CA 1.985 64.299 62.300 0.023 0.000 1.082 1663 V CB -1.006 30.819 31.823 0.002 0.000 0.680 1663 V HN 0.571 nan 8.190 nan 0.000 0.469 1664 E N 0.940 121.141 120.200 0.001 0.000 2.062 1664 E HA 0.171 4.521 4.350 -0.000 0.000 0.196 1664 E C 1.704 178.303 176.600 -0.003 0.000 0.949 1664 E CA 0.659 57.054 56.400 -0.009 0.000 0.889 1664 E CB -0.218 29.475 29.700 -0.012 0.000 0.928 1664 E HN 0.601 nan 8.360 nan 0.000 0.476 1665 I N -0.498 120.075 120.570 0.004 0.000 3.609 1665 I HA 0.344 4.514 4.170 -0.000 0.000 0.305 1665 I C 0.322 176.452 176.117 0.021 0.000 1.239 1665 I CA 0.122 61.427 61.300 0.009 0.000 1.191 1665 I CB -0.473 37.532 38.000 0.008 0.000 1.020 1665 I HN 0.165 nan 8.210 nan 0.000 0.471 1666 G N 0.062 108.880 108.800 0.030 0.000 2.347 1666 G HA2 -0.023 3.937 3.960 -0.000 0.000 0.321 1666 G HA3 -0.023 3.937 3.960 -0.000 0.000 0.321 1666 G C -0.164 174.785 174.900 0.081 0.000 1.412 1666 G CA -0.259 44.871 45.100 0.050 0.000 0.990 1666 G HN 0.213 nan 8.290 nan 0.000 0.637 1667 N N -1.539 117.227 118.700 0.110 0.000 3.826 1667 N HA -0.244 4.496 4.740 -0.000 0.000 0.217 1667 N C 1.310 176.964 175.510 0.241 0.000 0.197 1667 N CA 2.326 55.469 53.050 0.155 0.000 2.951 1667 N CB -0.963 37.593 38.487 0.115 0.000 1.282 1667 N HN 0.822 nan 8.380 nan 0.000 0.338 1668 L N 1.604 122.962 121.223 0.224 0.000 3.035 1668 L HA 0.249 4.589 4.340 -0.000 0.000 0.232 1668 L C 0.879 177.876 176.870 0.211 0.000 1.341 1668 L CA -0.126 54.944 54.840 0.384 0.000 1.177 1668 L CB 0.296 42.482 42.059 0.211 0.000 1.555 1668 L HN 0.206 nan 8.230 nan 0.000 0.473 1669 S N -1.618 114.122 115.700 0.068 0.000 3.200 1669 S HA 0.056 4.526 4.470 -0.000 0.000 0.209 1669 S C 0.353 174.744 174.600 -0.350 0.000 0.869 1669 S CA -0.322 57.804 58.200 -0.123 0.000 0.820 1669 S CB 0.188 63.355 63.200 -0.055 0.000 0.834 1669 S HN 0.314 nan 8.310 nan 0.000 0.622 1670 D N 3.002 123.243 120.400 -0.266 0.000 2.569 1670 D HA 0.171 4.811 4.640 -0.000 0.000 0.254 1670 D C 0.456 176.363 176.300 -0.655 0.000 1.274 1670 D CA 0.108 53.919 54.000 -0.315 0.000 1.306 1670 D CB -0.341 40.385 40.800 -0.123 0.000 1.139 1670 D HN 0.072 nan 8.370 nan 0.000 0.511 1671 S N 0.226 115.434 115.700 -0.821 0.000 2.547 1671 S HA -0.203 4.267 4.470 -0.000 0.000 0.255 1671 S C 1.984 176.305 174.600 -0.465 0.000 0.977 1671 S CA 1.010 58.634 58.200 -0.959 0.000 0.960 1671 S CB -0.038 62.850 63.200 -0.519 0.000 0.746 1671 S HN 0.570 nan 8.310 nan 0.000 0.532 1672 S N 1.144 116.675 115.700 -0.282 0.000 2.357 1672 S HA -0.003 4.467 4.470 -0.000 0.000 0.221 1672 S C 1.622 176.265 174.600 0.071 0.000 1.031 1672 S CA 0.655 58.814 58.200 -0.069 0.000 0.982 1672 S CB -0.265 62.913 63.200 -0.038 0.000 0.853 1672 S HN 0.361 nan 8.310 nan 0.000 0.458 1673 K N 0.967 121.447 120.400 0.134 0.000 2.296 1673 K HA 0.281 4.601 4.320 -0.000 0.000 0.200 1673 K C -0.039 176.704 176.600 0.238 0.000 1.048 1673 K CA 0.022 56.465 56.287 0.260 0.000 0.966 1673 K CB -0.346 32.301 32.500 0.245 0.000 0.754 1673 K HN 0.449 nan 8.250 nan 0.000 0.466 1674 F N 2.893 122.628 119.950 -0.358 0.000 2.484 1674 F HA -0.089 4.438 4.527 -0.000 0.000 0.355 1674 F C 0.976 176.682 175.800 -0.156 0.000 1.170 1674 F CA -0.551 57.221 58.000 -0.380 0.000 1.025 1674 F CB -0.432 38.348 39.000 -0.367 0.000 1.107 1674 F HN 0.211 nan 8.300 nan 0.000 0.589 1675 H N 7.160 126.119 119.070 -0.185 0.000 3.188 1675 H HA -0.109 4.447 4.556 -0.000 0.000 0.255 1675 H C -1.544 173.588 175.328 -0.327 0.000 0.815 1675 H CA -0.828 54.825 56.048 -0.658 0.000 1.436 1675 H CB 0.524 29.758 29.762 -0.881 0.000 1.378 1675 H HN 0.399 nan 8.280 nan 0.000 0.510 1676 P HA -0.326 nan 4.420 nan 0.000 0.238 1676 P C 1.749 179.053 177.300 0.006 0.000 1.056 1676 P CA 2.169 65.217 63.100 -0.088 0.000 1.038 1676 P CB 0.022 31.634 31.700 -0.147 0.000 0.721 1677 L N -2.025 119.252 121.223 0.091 0.000 2.341 1677 L HA 0.037 4.377 4.340 -0.000 0.000 0.214 1677 L C 1.148 178.013 176.870 -0.008 0.000 1.115 1677 L CA 0.539 55.405 54.840 0.043 0.000 0.820 1677 L CB -0.984 41.099 42.059 0.040 0.000 0.944 1677 L HN -0.102 nan 8.230 nan 0.000 0.452 1678 D N 1.948 122.348 120.400 -0.000 0.000 2.552 1678 D HA -0.122 4.518 4.640 -0.000 0.000 0.274 1678 D C 0.505 176.796 176.300 -0.016 0.000 1.406 1678 D CA 0.405 54.379 54.000 -0.044 0.000 1.311 1678 D CB 0.147 40.946 40.800 -0.002 0.000 1.146 1678 D HN 0.181 nan 8.370 nan 0.000 0.541 1679 K N 2.502 122.866 120.400 -0.060 0.000 3.077 1679 K HA -0.034 4.286 4.320 -0.000 0.000 0.269 1679 K C 1.531 178.105 176.600 -0.043 0.000 0.973 1679 K CA -0.153 56.108 56.287 -0.042 0.000 1.162 1679 K CB 0.241 32.706 32.500 -0.059 0.000 1.079 1679 K HN 0.283 nan 8.250 nan 0.000 0.456 1680 V N 0.178 120.072 119.914 -0.033 0.000 2.270 1680 V HA -0.237 3.883 4.120 -0.000 0.000 0.245 1680 V C 1.806 177.903 176.094 0.004 0.000 1.043 1680 V CA 1.440 63.718 62.300 -0.038 0.000 1.014 1680 V CB -0.140 31.644 31.823 -0.065 0.000 0.645 1680 V HN 0.393 nan 8.190 nan 0.000 0.447 1681 L N -0.117 121.136 121.223 0.049 0.000 2.017 1681 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 1681 L C 2.488 179.360 176.870 0.003 0.000 1.073 1681 L CA 2.200 57.061 54.840 0.034 0.000 0.745 1681 L CB -0.553 41.530 42.059 0.040 0.000 0.894 1681 L HN 0.292 nan 8.230 nan 0.000 0.432 1682 I N -0.524 120.044 120.570 -0.003 0.000 2.623 1682 I HA -0.271 3.899 4.170 -0.000 0.000 0.261 1682 I C 2.261 178.373 176.117 -0.008 0.000 1.204 1682 I CA 1.034 62.328 61.300 -0.011 0.000 1.444 1682 I CB -0.247 37.744 38.000 -0.014 0.000 1.094 1682 I HN 0.263 nan 8.210 nan 0.000 0.451 1683 K N -0.353 120.043 120.400 -0.006 0.000 2.399 1683 K HA 0.132 4.452 4.320 -0.000 0.000 0.196 1683 K C 1.888 178.490 176.600 0.005 0.000 1.117 1683 K CA 0.583 56.870 56.287 0.000 0.000 0.965 1683 K CB 0.151 32.648 32.500 -0.005 0.000 0.983 1683 K HN 0.157 nan 8.250 nan 0.000 0.531 1684 T N 3.293 117.846 114.554 -0.002 0.000 2.590 1684 T HA -0.069 4.281 4.350 -0.000 0.000 0.257 1684 T C 1.854 176.541 174.700 -0.022 0.000 1.080 1684 T CA 0.812 62.907 62.100 -0.007 0.000 1.180 1684 T CB -0.317 68.548 68.868 -0.005 0.000 0.865 1684 T HN -0.071 nan 8.240 nan 0.000 0.403 1685 L N 1.398 122.607 121.223 -0.023 0.000 2.054 1685 L HA -0.146 4.194 4.340 -0.000 0.000 0.220 1685 L C -0.302 176.546 176.870 -0.037 0.000 1.081 1685 L CA 2.236 57.055 54.840 -0.034 0.000 0.780 1685 L CB -2.983 39.059 42.059 -0.028 0.000 0.893 1685 L HN 0.230 nan 8.230 nan 0.000 0.438 1686 P HA -0.149 nan 4.420 nan 0.000 0.217 1686 P C 1.791 179.076 177.300 -0.024 0.000 1.151 1686 P CA 1.802 64.893 63.100 -0.015 0.000 0.849 1686 P CB 0.054 31.755 31.700 0.001 0.000 0.787 1687 V N -4.720 115.169 119.914 -0.041 0.000 3.635 1687 V HA 0.140 4.260 4.120 -0.000 0.000 0.266 1687 V C 2.130 178.093 176.094 -0.219 0.000 1.316 1687 V CA 0.024 62.267 62.300 -0.094 0.000 1.060 1687 V CB -1.285 30.524 31.823 -0.024 0.000 0.820 1687 V HN -0.020 nan 8.190 nan 0.000 0.447 1688 L N 1.398 122.524 121.223 -0.161 0.000 2.089 1688 L HA -0.111 4.229 4.340 -0.000 0.000 0.213 1688 L C 0.533 177.290 176.870 -0.189 0.000 1.079 1688 L CA 2.365 57.100 54.840 -0.174 0.000 0.758 1688 L CB -0.947 41.052 42.059 -0.101 0.000 0.891 1688 L HN 0.359 nan 8.230 nan 0.000 0.433 1689 P HA -0.219 nan 4.420 nan 0.000 0.208 1689 P C 1.190 178.395 177.300 -0.158 0.000 1.195 1689 P CA 1.406 64.430 63.100 -0.127 0.000 0.927 1689 P CB -0.170 31.477 31.700 -0.087 0.000 0.778 1690 E N -0.202 119.905 120.200 -0.155 0.000 2.118 1690 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 1690 E C 2.114 178.567 176.600 -0.244 0.000 0.992 1690 E CA 1.264 57.579 56.400 -0.142 0.000 0.804 1690 E CB -0.559 29.107 29.700 -0.057 0.000 0.741 1690 E HN 0.131 nan 8.360 nan 0.000 0.458 1691 A N 1.754 124.281 122.820 -0.487 0.000 1.848 1691 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 1691 A C 2.174 179.538 177.584 -0.368 0.000 1.220 1691 A CA 2.059 53.664 52.037 -0.720 0.000 0.645 1691 A CB -0.866 17.592 19.000 -0.904 0.000 0.842 1691 A HN 0.179 nan 8.150 nan 0.000 0.451 1692 R N -0.286 120.040 120.500 -0.291 0.000 2.185 1692 R HA -0.221 4.119 4.340 -0.000 0.000 0.247 1692 R C 2.282 178.461 176.300 -0.203 0.000 1.159 1692 R CA 2.028 57.996 56.100 -0.220 0.000 0.988 1692 R CB -0.299 29.907 30.300 -0.157 0.000 0.871 1692 R HN 0.672 nan 8.270 nan 0.000 0.458 1693 K N 0.856 121.144 120.400 -0.187 0.000 1.977 1693 K HA -0.198 4.122 4.320 -0.000 0.000 0.218 1693 K C 1.751 178.239 176.600 -0.187 0.000 1.051 1693 K CA 2.097 58.294 56.287 -0.150 0.000 0.953 1693 K CB -0.041 32.385 32.500 -0.124 0.000 0.727 1693 K HN 0.050 nan 8.250 nan 0.000 0.445 1694 K N -0.427 119.813 120.400 -0.266 0.000 2.442 1694 K HA -0.090 4.230 4.320 -0.000 0.000 0.199 1694 K C 1.809 178.167 176.600 -0.403 0.000 1.044 1694 K CA 0.914 56.959 56.287 -0.403 0.000 0.941 1694 K CB -0.063 31.968 32.500 -0.782 0.000 0.759 1694 K HN 0.399 nan 8.250 nan 0.000 0.472 1695 G N 0.963 109.525 108.800 -0.398 0.000 2.408 1695 G HA2 -0.181 3.779 3.960 -0.000 0.000 0.215 1695 G HA3 -0.181 3.779 3.960 -0.000 0.000 0.215 1695 G C 1.020 175.780 174.900 -0.232 0.000 1.156 1695 G CA 0.503 45.335 45.100 -0.447 0.000 0.793 1695 G HN 0.212 nan 8.290 nan 0.000 0.535 1696 D N -0.009 120.296 120.400 -0.158 0.000 2.323 1696 D HA 0.068 4.708 4.640 -0.000 0.000 0.209 1696 D C 2.343 178.615 176.300 -0.046 0.000 0.973 1696 D CA -0.089 53.861 54.000 -0.084 0.000 0.874 1696 D CB 0.494 41.252 40.800 -0.070 0.000 0.930 1696 D HN 0.238 nan 8.370 nan 0.000 0.521 1697 L N 0.384 121.576 121.223 -0.051 0.000 1.961 1697 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 1697 L C 2.350 179.267 176.870 0.078 0.000 1.075 1697 L CA 0.751 55.604 54.840 0.022 0.000 0.749 1697 L CB -0.195 41.886 42.059 0.038 0.000 0.890 1697 L HN -0.010 nan 8.230 nan 0.000 0.433 1698 L N 0.342 121.643 121.223 0.131 0.000 2.021 1698 L HA -0.323 4.017 4.340 -0.000 0.000 0.215 1698 L C 2.391 179.316 176.870 0.092 0.000 1.074 1698 L CA 1.834 56.776 54.840 0.169 0.000 0.760 1698 L CB -0.653 41.549 42.059 0.239 0.000 0.889 1698 L HN 0.298 nan 8.230 nan 0.000 0.433 1699 E N -0.676 119.549 120.200 0.043 0.000 2.037 1699 E HA -0.301 4.049 4.350 -0.000 0.000 0.214 1699 E C 1.856 178.481 176.600 0.041 0.000 1.041 1699 E CA 1.740 58.160 56.400 0.033 0.000 0.872 1699 E CB -0.309 29.394 29.700 0.005 0.000 0.785 1699 E HN 0.533 nan 8.360 nan 0.000 0.476 1700 D N 0.395 120.815 120.400 0.034 0.000 2.230 1700 D HA -0.235 4.405 4.640 -0.000 0.000 0.189 1700 D C 1.862 178.192 176.300 0.051 0.000 1.006 1700 D CA 1.228 55.251 54.000 0.037 0.000 0.853 1700 D CB -0.426 40.394 40.800 0.034 0.000 0.959 1700 D HN 0.195 nan 8.370 nan 0.000 0.449 1701 E N 0.240 120.479 120.200 0.065 0.000 2.065 1701 E HA -0.167 4.183 4.350 -0.000 0.000 0.201 1701 E C 2.396 179.037 176.600 0.069 0.000 1.016 1701 E CA 0.767 57.209 56.400 0.071 0.000 0.818 1701 E CB -0.390 29.362 29.700 0.086 0.000 0.749 1701 E HN 0.139 nan 8.360 nan 0.000 0.453 1702 V N 1.372 121.327 119.914 0.069 0.000 2.490 1702 V HA -0.256 3.864 4.120 -0.000 0.000 0.250 1702 V C 2.276 178.404 176.094 0.056 0.000 1.061 1702 V CA 1.659 63.996 62.300 0.061 0.000 1.064 1702 V CB -0.337 31.521 31.823 0.059 0.000 0.670 1702 V HN 0.234 nan 8.190 nan 0.000 0.461 1703 K N 0.038 120.468 120.400 0.051 0.000 1.969 1703 K HA -0.157 4.163 4.320 -0.000 0.000 0.216 1703 K C 2.048 178.683 176.600 0.058 0.000 1.048 1703 K CA 1.770 58.086 56.287 0.047 0.000 0.948 1703 K CB -0.559 31.964 32.500 0.039 0.000 0.726 1703 K HN 0.321 nan 8.250 nan 0.000 0.442 1704 L N 0.920 122.178 121.223 0.057 0.000 2.151 1704 L HA -0.297 4.043 4.340 -0.000 0.000 0.215 1704 L C 2.382 179.301 176.870 0.083 0.000 1.084 1704 L CA 1.452 56.330 54.840 0.063 0.000 0.764 1704 L CB -1.178 40.916 42.059 0.059 0.000 0.891 1704 L HN 0.327 nan 8.230 nan 0.000 0.435 1705 T N -0.157 114.452 114.554 0.091 0.000 2.815 1705 T HA 0.060 4.410 4.350 -0.000 0.000 0.244 1705 T C 1.937 176.731 174.700 0.156 0.000 1.040 1705 T CA 0.760 62.934 62.100 0.124 0.000 1.176 1705 T CB -0.125 68.809 68.868 0.111 0.000 0.880 1705 T HN 0.097 nan 8.240 nan 0.000 0.414 1706 I N 1.942 122.579 120.570 0.112 0.000 2.094 1706 I HA -0.339 3.831 4.170 -0.000 0.000 0.236 1706 I C 2.704 178.926 176.117 0.175 0.000 1.016 1706 I CA 1.569 62.936 61.300 0.111 0.000 1.294 1706 I CB -0.549 37.482 38.000 0.052 0.000 1.006 1706 I HN 0.246 nan 8.210 nan 0.000 0.397 1707 M N -0.187 119.485 119.600 0.121 0.000 2.147 1707 M HA -0.297 4.183 4.480 -0.000 0.000 0.253 1707 M C 2.192 178.574 176.300 0.136 0.000 1.075 1707 M CA 1.943 57.309 55.300 0.109 0.000 1.085 1707 M CB -1.576 31.066 32.600 0.070 0.000 1.305 1707 M HN 0.336 nan 8.290 nan 0.000 0.409 1708 E N -0.045 120.239 120.200 0.141 0.000 2.033 1708 E HA -0.222 4.128 4.350 -0.000 0.000 0.199 1708 E C 1.914 178.627 176.600 0.188 0.000 1.011 1708 E CA 1.736 58.222 56.400 0.143 0.000 0.815 1708 E CB -0.554 29.233 29.700 0.145 0.000 0.755 1708 E HN 0.513 nan 8.360 nan 0.000 0.451 1709 F N 2.186 122.197 119.950 0.103 0.000 2.043 1709 F HA -0.262 4.265 4.527 -0.000 0.000 0.297 1709 F C 2.293 178.139 175.800 0.077 0.000 1.118 1709 F CA 2.125 60.196 58.000 0.118 0.000 1.202 1709 F CB -0.155 38.905 39.000 0.101 0.000 0.965 1709 F HN 0.035 nan 8.300 nan 0.000 0.482 1710 E N -0.489 119.961 120.200 0.416 0.000 2.171 1710 E HA -0.281 4.069 4.350 -0.000 0.000 0.197 1710 E C 2.326 179.057 176.600 0.218 0.000 0.997 1710 E CA 1.311 57.883 56.400 0.287 0.000 0.810 1710 E CB -0.454 29.414 29.700 0.279 0.000 0.738 1710 E HN 0.482 nan 8.360 nan 0.000 0.467 1711 S N 1.239 117.026 115.700 0.145 0.000 2.345 1711 S HA -0.154 4.316 4.470 -0.000 0.000 0.220 1711 S C 2.082 176.736 174.600 0.090 0.000 1.031 1711 S CA 1.016 59.276 58.200 0.101 0.000 0.996 1711 S CB -0.182 63.051 63.200 0.056 0.000 0.882 1711 S HN 0.264 nan 8.310 nan 0.000 0.445 1712 L N 1.070 122.321 121.223 0.046 0.000 2.127 1712 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 1712 L C 2.352 179.322 176.870 0.168 0.000 1.089 1712 L CA 2.030 56.936 54.840 0.109 0.000 0.757 1712 L CB -0.699 41.423 42.059 0.105 0.000 0.899 1712 L HN 0.451 nan 8.230 nan 0.000 0.434 1713 M N -1.574 117.951 119.600 -0.125 0.000 2.064 1713 M HA -0.189 4.291 4.480 -0.000 0.000 0.260 1713 M C 2.343 178.584 176.300 -0.099 0.000 1.073 1713 M CA 1.634 56.689 55.300 -0.409 0.000 1.124 1713 M CB -0.493 31.648 32.600 -0.765 0.000 1.326 1713 M HN 0.380 nan 8.290 nan 0.000 0.410 1714 H N -0.288 118.732 119.070 -0.082 0.000 2.400 1714 H HA -0.171 4.385 4.556 -0.000 0.000 0.295 1714 H C 1.867 177.205 175.328 0.016 0.000 1.118 1714 H CA 2.050 58.082 56.048 -0.027 0.000 1.256 1714 H CB -0.513 29.238 29.762 -0.018 0.000 1.365 1714 H HN 0.442 nan 8.280 nan 0.000 0.502 1715 T N 0.539 115.188 114.554 0.159 0.000 2.502 1715 T HA -0.239 4.111 4.350 -0.000 0.000 0.258 1715 T C 1.696 176.439 174.700 0.072 0.000 1.146 1715 T CA 1.709 63.858 62.100 0.082 0.000 1.208 1715 T CB -0.908 67.999 68.868 0.066 0.000 0.864 1715 T HN 0.389 nan 8.240 nan 0.000 0.402 1716 Y N 1.536 121.916 120.300 0.134 0.000 2.716 1716 Y HA 0.160 4.710 4.550 -0.000 0.000 0.302 1716 Y C 2.019 177.978 175.900 0.098 0.000 1.160 1716 Y CA 0.546 58.743 58.100 0.161 0.000 1.362 1716 Y CB -0.621 38.023 38.460 0.307 0.000 0.988 1716 Y HN 0.583 nan 8.280 nan 0.000 0.546 1717 G N -1.038 107.862 108.800 0.167 0.000 2.179 1717 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.220 1717 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.220 1717 G C -0.200 174.696 174.900 -0.007 0.000 0.990 1717 G CA -0.376 44.768 45.100 0.073 0.000 0.646 1717 G HN 0.149 nan 8.290 nan 0.000 0.517 1718 E N 1.172 121.339 120.200 -0.055 0.000 2.290 1718 E HA 0.382 4.732 4.350 -0.000 0.000 0.277 1718 E C -0.169 176.248 176.600 -0.306 0.000 1.035 1718 E CA -0.431 55.862 56.400 -0.178 0.000 0.873 1718 E CB 1.164 30.657 29.700 -0.345 0.000 1.029 1718 E HN 0.403 nan 8.360 nan 0.000 0.419 1719 D N 1.145 121.392 120.400 -0.255 0.000 2.336 1719 D HA -0.004 4.636 4.640 -0.000 0.000 0.249 1719 D C 0.966 177.084 176.300 -0.303 0.000 1.213 1719 D CA 0.000 53.795 54.000 -0.342 0.000 0.870 1719 D CB 0.619 41.315 40.800 -0.173 0.000 1.076 1719 D HN 0.265 nan 8.370 nan 0.000 0.483 1720 S N 2.141 117.580 115.700 -0.435 0.000 2.461 1720 S HA -0.143 4.327 4.470 -0.000 0.000 0.249 1720 S C 1.364 175.936 174.600 -0.046 0.000 1.012 1720 S CA 0.549 58.666 58.200 -0.139 0.000 0.982 1720 S CB -0.212 63.031 63.200 0.073 0.000 0.764 1720 S HN 0.487 nan 8.310 nan 0.000 0.506 1721 G N 0.908 109.673 108.800 -0.059 0.000 4.477 1721 G HA2 0.467 4.427 3.960 -0.000 0.000 0.319 1721 G HA3 0.467 4.427 3.960 -0.000 0.000 0.319 1721 G C -0.836 174.057 174.900 -0.013 0.000 1.391 1721 G CA -0.356 44.737 45.100 -0.012 0.000 1.261 1721 G HN 0.345 nan 8.290 nan 0.000 0.556 1722 D N 1.821 122.222 120.400 0.002 0.000 2.474 1722 D HA 0.080 4.720 4.640 -0.000 0.000 0.234 1722 D C 1.093 177.464 176.300 0.118 0.000 1.323 1722 D CA -0.577 53.447 54.000 0.040 0.000 0.915 1722 D CB 0.755 41.557 40.800 0.004 0.000 1.487 1722 D HN -0.027 nan 8.370 nan 0.000 0.524 1723 K N 1.630 122.117 120.400 0.146 0.000 2.127 1723 K HA -0.249 4.071 4.320 -0.000 0.000 0.222 1723 K C 1.471 178.156 176.600 0.143 0.000 1.034 1723 K CA 1.760 58.133 56.287 0.144 0.000 0.955 1723 K CB -0.577 32.037 32.500 0.190 0.000 0.786 1723 K HN 0.384 nan 8.250 nan 0.000 0.465 1724 F N 0.041 119.980 119.950 -0.018 0.000 1.990 1724 F HA -0.251 4.276 4.527 -0.000 0.000 0.297 1724 F C 2.685 178.478 175.800 -0.010 0.000 1.199 1724 F CA 1.655 59.649 58.000 -0.010 0.000 1.184 1724 F CB -1.466 37.529 39.000 -0.009 0.000 0.956 1724 F HN 0.195 nan 8.300 nan 0.000 0.503 1725 A N -0.026 122.905 122.820 0.186 0.000 1.927 1725 A HA -0.308 4.012 4.320 -0.000 0.000 0.220 1725 A C 2.160 179.748 177.584 0.006 0.000 1.185 1725 A CA 2.398 54.475 52.037 0.065 0.000 0.639 1725 A CB -1.021 17.962 19.000 -0.027 0.000 0.820 1725 A HN 0.486 nan 8.150 nan 0.000 0.451 1726 K N -1.018 119.377 120.400 -0.007 0.000 2.184 1726 K HA -0.249 4.071 4.320 -0.000 0.000 0.210 1726 K C 1.569 178.173 176.600 0.006 0.000 1.048 1726 K CA 2.155 58.436 56.287 -0.010 0.000 0.931 1726 K CB -0.448 32.040 32.500 -0.020 0.000 0.718 1726 K HN 0.737 nan 8.250 nan 0.000 0.465 1727 I N -1.666 118.910 120.570 0.010 0.000 3.673 1727 I HA -0.085 4.085 4.170 -0.000 0.000 0.281 1727 I C 2.055 178.218 176.117 0.078 0.000 1.182 1727 I CA 0.316 61.627 61.300 0.017 0.000 1.391 1727 I CB -0.202 37.781 38.000 -0.028 0.000 1.383 1727 I HN 0.004 nan 8.210 nan 0.000 0.456 1728 S N 1.852 117.586 115.700 0.056 0.000 2.571 1728 S HA -0.173 4.297 4.470 -0.000 0.000 0.245 1728 S C 1.750 176.428 174.600 0.129 0.000 0.976 1728 S CA 0.533 58.779 58.200 0.078 0.000 0.954 1728 S CB -0.932 62.307 63.200 0.066 0.000 0.756 1728 S HN 0.386 nan 8.310 nan 0.000 0.535 1729 F N 2.084 121.989 119.950 -0.074 0.000 1.997 1729 F HA 0.011 4.538 4.527 -0.000 0.000 0.296 1729 F C 1.793 177.539 175.800 -0.091 0.000 1.160 1729 F CA 0.907 58.806 58.000 -0.168 0.000 1.176 1729 F CB -1.265 37.590 39.000 -0.241 0.000 0.964 1729 F HN 0.288 nan 8.300 nan 0.000 0.484 1730 F N 0.592 120.581 119.950 0.066 0.000 2.032 1730 F HA -0.387 4.140 4.527 -0.000 0.000 0.297 1730 F C 2.663 178.455 175.800 -0.013 0.000 1.125 1730 F CA 1.770 59.775 58.000 0.009 0.000 1.202 1730 F CB -0.807 38.283 39.000 0.150 0.000 0.958 1730 F HN -0.031 nan 8.300 nan 0.000 0.491 1731 K N 0.591 121.134 120.400 0.238 0.000 2.148 1731 K HA -0.303 4.017 4.320 -0.000 0.000 0.213 1731 K C 1.742 178.387 176.600 0.074 0.000 1.050 1731 K CA 2.474 58.841 56.287 0.133 0.000 0.932 1731 K CB -0.297 32.264 32.500 0.101 0.000 0.717 1731 K HN 0.394 nan 8.250 nan 0.000 0.462 1732 K N -0.721 119.662 120.400 -0.030 0.000 2.148 1732 K HA -0.111 4.209 4.320 -0.000 0.000 0.204 1732 K C 2.080 178.669 176.600 -0.018 0.000 1.050 1732 K CA 1.355 57.591 56.287 -0.085 0.000 0.942 1732 K CB -0.232 32.136 32.500 -0.221 0.000 0.724 1732 K HN 0.156 nan 8.250 nan 0.000 0.446 1733 F N 1.761 121.726 119.950 0.024 0.000 2.163 1733 F HA -0.125 4.402 4.527 -0.000 0.000 0.297 1733 F C 2.780 178.674 175.800 0.156 0.000 1.094 1733 F CA 0.480 58.526 58.000 0.077 0.000 1.290 1733 F CB -0.176 38.792 39.000 -0.054 0.000 1.017 1733 F HN 0.057 nan 8.300 nan 0.000 0.483 1734 A N 0.463 123.455 122.820 0.286 0.000 1.841 1734 A HA -0.249 4.071 4.320 -0.000 0.000 0.216 1734 A C 1.803 179.485 177.584 0.165 0.000 1.199 1734 A CA 2.240 54.385 52.037 0.180 0.000 0.621 1734 A CB -1.094 17.983 19.000 0.128 0.000 0.835 1734 A HN 0.270 nan 8.150 nan 0.000 0.445 1735 D N -1.083 119.405 120.400 0.147 0.000 2.154 1735 D HA -0.207 4.433 4.640 -0.000 0.000 0.190 1735 D C 1.577 177.979 176.300 0.169 0.000 1.003 1735 D CA 1.798 55.873 54.000 0.124 0.000 0.849 1735 D CB -0.515 40.344 40.800 0.099 0.000 0.942 1735 D HN 0.428 nan 8.370 nan 0.000 0.446 1736 F N 1.138 121.144 119.950 0.093 0.000 2.025 1736 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 1736 F C 2.216 178.146 175.800 0.217 0.000 1.132 1736 F CA 1.263 59.343 58.000 0.132 0.000 1.191 1736 F CB -0.854 38.233 39.000 0.145 0.000 0.963 1736 F HN -0.062 nan 8.300 nan 0.000 0.481 1737 I N 0.844 121.410 120.570 -0.007 0.000 2.094 1737 I HA -0.527 3.643 4.170 -0.000 0.000 0.236 1737 I C 2.226 178.324 176.117 -0.032 0.000 1.016 1737 I CA 2.127 63.391 61.300 -0.059 0.000 1.294 1737 I CB -0.846 37.211 38.000 0.095 0.000 1.006 1737 I HN 0.289 nan 8.210 nan 0.000 0.397 1738 N N 0.431 119.140 118.700 0.014 0.000 2.166 1738 N HA -0.183 4.557 4.740 -0.000 0.000 0.186 1738 N C 1.690 177.200 175.510 -0.000 0.000 1.019 1738 N CA 1.170 54.226 53.050 0.010 0.000 0.856 1738 N CB -0.496 38.001 38.487 0.017 0.000 0.993 1738 N HN 0.443 nan 8.380 nan 0.000 0.426 1739 E N -0.062 120.138 120.200 -0.000 0.000 2.160 1739 E HA -0.197 4.153 4.350 -0.000 0.000 0.195 1739 E C 1.596 178.173 176.600 -0.039 0.000 0.991 1739 E CA 0.812 57.204 56.400 -0.013 0.000 0.810 1739 E CB -0.164 29.546 29.700 0.016 0.000 0.742 1739 E HN 0.507 nan 8.360 nan 0.000 0.466 1740 Y N 1.336 121.513 120.300 -0.205 0.000 2.176 1740 Y HA -0.076 4.474 4.550 -0.000 0.000 0.291 1740 Y C 2.184 178.002 175.900 -0.136 0.000 1.122 1740 Y CA 1.316 59.290 58.100 -0.211 0.000 1.128 1740 Y CB 0.171 38.399 38.460 -0.388 0.000 1.005 1740 Y HN -0.171 nan 8.280 nan 0.000 0.509 1741 K N 0.370 120.838 120.400 0.113 0.000 2.360 1741 K HA -0.214 4.106 4.320 -0.000 0.000 0.201 1741 K C 1.969 178.550 176.600 -0.032 0.000 1.046 1741 K CA 1.251 57.557 56.287 0.032 0.000 0.940 1741 K CB -0.040 32.456 32.500 -0.006 0.000 0.748 1741 K HN 0.299 nan 8.250 nan 0.000 0.465 1742 K N 0.684 121.054 120.400 -0.049 0.000 2.099 1742 K HA 0.022 4.342 4.320 -0.000 0.000 0.203 1742 K C 2.118 178.659 176.600 -0.098 0.000 1.047 1742 K CA 0.754 57.004 56.287 -0.061 0.000 0.963 1742 K CB 0.048 32.521 32.500 -0.045 0.000 0.759 1742 K HN 0.032 nan 8.250 nan 0.000 0.451 1743 A N 1.692 124.420 122.820 -0.154 0.000 1.933 1743 A HA -0.253 4.067 4.320 -0.000 0.000 0.218 1743 A C 2.107 179.561 177.584 -0.217 0.000 1.175 1743 A CA 1.851 53.769 52.037 -0.199 0.000 0.628 1743 A CB -0.653 18.167 19.000 -0.299 0.000 0.814 1743 A HN 0.583 nan 8.150 nan 0.000 0.444 1744 Q N -0.172 119.480 119.800 -0.247 0.000 1.985 1744 Q HA -0.147 4.193 4.340 -0.000 0.000 0.207 1744 Q C 2.141 178.073 176.000 -0.113 0.000 0.996 1744 Q CA 2.385 58.082 55.803 -0.176 0.000 0.851 1744 Q CB -0.525 28.154 28.738 -0.098 0.000 0.921 1744 Q HN 0.545 nan 8.270 nan 0.000 0.418 1745 A N 0.683 123.450 122.820 -0.088 0.000 1.859 1745 A HA -0.391 3.929 4.320 -0.000 0.000 0.218 1745 A C 2.019 179.560 177.584 -0.073 0.000 1.242 1745 A CA 2.468 54.464 52.037 -0.068 0.000 0.661 1745 A CB -1.355 17.612 19.000 -0.055 0.000 0.842 1745 A HN 0.722 nan 8.150 nan 0.000 0.455 1746 Q N -0.529 119.228 119.800 -0.072 0.000 2.142 1746 Q HA -0.279 4.061 4.340 -0.000 0.000 0.213 1746 Q C 1.971 177.925 176.000 -0.077 0.000 1.004 1746 Q CA 1.798 57.562 55.803 -0.067 0.000 0.883 1746 Q CB -0.492 28.208 28.738 -0.062 0.000 0.939 1746 Q HN 0.707 nan 8.270 nan 0.000 0.413 1747 N N 0.441 119.084 118.700 -0.095 0.000 2.109 1747 N HA -0.060 4.680 4.740 -0.000 0.000 0.188 1747 N C 1.833 177.287 175.510 -0.092 0.000 1.034 1747 N CA 0.949 53.937 53.050 -0.103 0.000 0.846 1747 N CB -0.206 38.202 38.487 -0.132 0.000 1.010 1747 N HN 0.229 nan 8.380 nan 0.000 0.425 1748 L N 0.726 121.898 121.223 -0.084 0.000 2.265 1748 L HA -0.086 4.254 4.340 -0.000 0.000 0.215 1748 L C 2.124 178.952 176.870 -0.070 0.000 1.117 1748 L CA 0.770 55.567 54.840 -0.072 0.000 0.782 1748 L CB -0.378 41.645 42.059 -0.061 0.000 0.914 1748 L HN 0.152 nan 8.230 nan 0.000 0.441 1749 A N -0.418 122.359 122.820 -0.072 0.000 1.901 1749 A HA 0.130 4.450 4.320 -0.000 0.000 0.210 1749 A C 2.505 180.034 177.584 -0.091 0.000 1.208 1749 A CA 0.870 52.863 52.037 -0.073 0.000 0.644 1749 A CB -0.432 18.531 19.000 -0.062 0.000 0.863 1749 A HN 0.293 nan 8.150 nan 0.000 0.454 1750 A N 0.158 122.924 122.820 -0.090 0.000 1.986 1750 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 1750 A C 1.773 179.286 177.584 -0.119 0.000 1.171 1750 A CA 1.813 53.788 52.037 -0.103 0.000 0.640 1750 A CB -0.538 18.412 19.000 -0.083 0.000 0.811 1750 A HN 0.623 nan 8.150 nan 0.000 0.451 1751 E N -1.288 118.850 120.200 -0.103 0.000 2.482 1751 E HA -0.104 4.246 4.350 -0.000 0.000 0.196 1751 E C 1.743 178.281 176.600 -0.103 0.000 1.047 1751 E CA 0.645 56.986 56.400 -0.099 0.000 0.869 1751 E CB 0.106 29.754 29.700 -0.085 0.000 0.836 1751 E HN 0.686 nan 8.360 nan 0.000 0.520 1752 E N 1.108 121.241 120.200 -0.112 0.000 2.057 1752 E HA -0.095 4.255 4.350 -0.000 0.000 0.190 1752 E C 1.394 177.896 176.600 -0.164 0.000 0.969 1752 E CA 0.951 57.284 56.400 -0.112 0.000 0.812 1752 E CB 0.159 29.802 29.700 -0.094 0.000 0.777 1752 E HN 0.163 nan 8.360 nan 0.000 0.455 1753 E N 0.507 120.571 120.200 -0.225 0.000 2.209 1753 E HA -0.194 4.156 4.350 -0.000 0.000 0.196 1753 E C 0.611 176.947 176.600 -0.439 0.000 0.993 1753 E CA 0.842 56.991 56.400 -0.420 0.000 0.819 1753 E CB -0.052 29.355 29.700 -0.489 0.000 0.745 1753 E HN 0.249 nan 8.360 nan 0.000 0.477 1754 E N 0.352 120.400 120.200 -0.253 0.000 2.452 1754 E HA 0.061 4.411 4.350 -0.000 0.000 0.293 1754 E C 0.497 177.032 176.600 -0.108 0.000 1.535 1754 E CA -0.065 56.236 56.400 -0.166 0.000 1.816 1754 E CB 0.086 29.719 29.700 -0.113 0.000 1.494 1754 E HN 0.093 nan 8.360 nan 0.000 0.464 1755 R N -0.462 119.970 120.500 -0.113 0.000 3.071 1755 R HA 0.057 4.397 4.340 -0.000 0.000 0.138 1755 R C 1.301 177.564 176.300 -0.062 0.000 0.826 1755 R CA -0.153 55.905 56.100 -0.070 0.000 1.659 1755 R CB -0.004 30.250 30.300 -0.076 0.000 1.678 1755 R HN 0.128 nan 8.270 nan 0.000 0.514 1756 L N 0.400 121.569 121.223 -0.091 0.000 2.068 1756 L HA 0.044 4.384 4.340 -0.000 0.000 0.204 1756 L C 1.716 178.634 176.870 0.079 0.000 1.076 1756 L CA 1.675 56.436 54.840 -0.132 0.000 0.753 1756 L CB -0.577 41.394 42.059 -0.146 0.000 0.910 1756 L HN 0.197 nan 8.230 nan 0.000 0.439 1757 Y N -1.096 119.146 120.300 -0.097 0.000 2.688 1757 Y HA -0.084 4.466 4.550 -0.000 0.000 0.311 1757 Y C 1.761 177.651 175.900 -0.016 0.000 1.185 1757 Y CA -0.547 57.532 58.100 -0.036 0.000 1.336 1757 Y CB 0.114 38.562 38.460 -0.021 0.000 1.015 1757 Y HN 0.179 nan 8.280 nan 0.000 0.522 1758 I N -0.404 120.238 120.570 0.120 0.000 3.445 1758 I HA -0.088 4.082 4.170 -0.000 0.000 0.288 1758 I C 2.113 178.270 176.117 0.067 0.000 1.198 1758 I CA 0.818 62.159 61.300 0.067 0.000 1.417 1758 I CB -0.396 37.618 38.000 0.024 0.000 1.205 1758 I HN 0.141 nan 8.210 nan 0.000 0.448 1759 K N 0.224 120.663 120.400 0.066 0.000 2.141 1759 K HA -0.019 4.301 4.320 -0.000 0.000 0.202 1759 K C 0.725 177.474 176.600 0.248 0.000 1.045 1759 K CA 0.524 56.883 56.287 0.121 0.000 0.971 1759 K CB 0.229 32.787 32.500 0.098 0.000 0.795 1759 K HN 0.155 nan 8.250 nan 0.000 0.459 1760 H N 0.000 119.098 119.070 0.047 0.000 2.539 1760 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 1760 H CA 0.000 56.063 56.048 0.024 0.000 1.023 1760 H CB 0.000 29.775 29.762 0.021 0.000 1.292 1760 H HN 0.000 nan 8.280 nan 0.000 0.496