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 3biy_1_A DATA FIRST_RESID 1287 DATA SEQUENCE KFSAKRLPST RLGTFLENRV NDFLRRQNHP ESGEVTVRVV HASDKTVEVK DATA SEQUENCE PGMKARFVDS GEMAESFPYR TKALFAFEEI DGVDLCFFGM HVQEYGSDCP DATA SEQUENCE PPNQRRVYIS YLDSVHFFRP KCLRTAVYHE ILIGYLEYVK KLGYTTGHIW DATA SEQUENCE ACPPSEGDDY IFHCHPPDQK IPKPKRLQEW YKKMLDKAVS ERIVHDYKDI DATA SEQUENCE FKQATEDRLT SAKELPYFEG DFWPNVLEES IKEXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXSQKLYA DATA SEQUENCE TMEKHKEVFF VIRLIAGPAA NSLPPIVDPD PLIPCDLMDG RDAFLTLARD DATA SEQUENCE RHLEFSSLRR AQWSTGCMLV ELHTQSQD 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 1287 K HA 0.000 nan 4.320 nan 0.000 0.191 1287 K C 0.000 176.183 176.600 -0.695 0.000 0.988 1287 K CA 0.000 55.964 56.287 -0.538 0.000 0.838 1287 K CB 0.000 32.331 32.500 -0.282 0.000 1.064 1288 F N 2.619 122.362 119.950 -0.344 0.000 2.819 1288 F HA 0.195 4.700 4.527 -0.038 0.000 0.294 1288 F C 0.837 176.520 175.800 -0.195 0.000 1.166 1288 F CA -0.618 57.093 58.000 -0.481 0.000 1.374 1288 F CB 0.647 39.511 39.000 -0.227 0.000 0.956 1288 F HN 0.505 nan 8.300 nan 0.000 0.509 1289 S N -0.050 115.636 115.700 -0.024 0.000 2.614 1289 S HA 0.508 4.956 4.470 -0.037 0.000 0.265 1289 S C 1.362 175.990 174.600 0.047 0.000 1.303 1289 S CA -0.257 57.953 58.200 0.015 0.000 1.000 1289 S CB 1.769 64.952 63.200 -0.028 0.000 0.935 1289 S HN 0.263 nan 8.310 nan 0.000 0.551 1290 A N 1.660 124.373 122.820 -0.178 0.000 1.883 1290 A HA -0.115 4.183 4.320 -0.037 0.000 0.217 1290 A C 2.158 179.625 177.584 -0.196 0.000 1.186 1290 A CA 1.869 53.629 52.037 -0.462 0.000 0.624 1290 A CB -1.045 17.397 19.000 -0.930 0.000 0.822 1290 A HN 0.963 nan 8.150 nan 0.000 0.444 1291 K N -0.854 119.497 120.400 -0.082 0.000 2.113 1291 K HA -0.156 4.142 4.320 -0.037 0.000 0.208 1291 K C 1.979 178.593 176.600 0.022 0.000 1.047 1291 K CA 1.268 57.550 56.287 -0.008 0.000 0.928 1291 K CB -0.090 32.414 32.500 0.007 0.000 0.716 1291 K HN 0.246 nan 8.250 nan 0.000 0.446 1292 R N 0.610 121.143 120.500 0.055 0.000 2.307 1292 R HA 0.088 4.406 4.340 -0.037 0.000 0.199 1292 R C 0.362 176.790 176.300 0.215 0.000 1.000 1292 R CA 0.128 56.296 56.100 0.115 0.000 1.023 1292 R CB -0.294 30.043 30.300 0.062 0.000 0.908 1292 R HN 0.223 nan 8.270 nan 0.000 0.473 1293 L N 2.819 124.106 121.223 0.106 0.000 2.525 1293 L HA 0.035 4.353 4.340 -0.037 0.000 0.278 1293 L C -1.902 174.971 176.870 0.005 0.000 1.218 1293 L CA -1.440 53.361 54.840 -0.066 0.000 0.878 1293 L CB -0.121 41.842 42.059 -0.159 0.000 1.127 1293 L HN -0.219 nan 8.230 nan 0.000 0.492 1294 P HA -0.022 nan 4.420 nan 0.000 0.264 1294 P C -0.580 176.737 177.300 0.029 0.000 1.183 1294 P CA -0.033 63.081 63.100 0.023 0.000 0.763 1294 P CB 0.542 32.251 31.700 0.015 0.000 0.807 1295 S N 1.664 117.387 115.700 0.039 0.000 2.652 1295 S HA 0.709 5.157 4.470 -0.037 0.000 0.270 1295 S C 0.012 174.639 174.600 0.045 0.000 1.243 1295 S CA -0.364 57.865 58.200 0.048 0.000 0.999 1295 S CB 0.589 63.821 63.200 0.054 0.000 0.973 1295 S HN 0.559 nan 8.310 nan 0.000 0.544 1296 T N -1.243 113.341 114.554 0.049 0.000 2.883 1296 T HA 0.540 4.868 4.350 -0.037 0.000 0.301 1296 T C 0.688 175.421 174.700 0.054 0.000 1.158 1296 T CA -1.167 60.960 62.100 0.045 0.000 1.007 1296 T CB 1.426 70.310 68.868 0.026 0.000 1.186 1296 T HN 0.413 nan 8.240 nan 0.000 0.499 1297 R N 0.007 120.551 120.500 0.074 0.000 2.091 1297 R HA -0.023 4.295 4.340 -0.037 0.000 0.238 1297 R C 2.057 178.368 176.300 0.018 0.000 1.136 1297 R CA 0.950 57.121 56.100 0.118 0.000 0.959 1297 R CB -1.447 28.975 30.300 0.203 0.000 0.856 1297 R HN 0.620 nan 8.270 nan 0.000 0.437 1298 L N 0.444 121.553 121.223 -0.190 0.000 2.027 1298 L HA 0.006 4.324 4.340 -0.037 0.000 0.206 1298 L C 2.131 178.901 176.870 -0.167 0.000 1.074 1298 L CA 2.310 56.810 54.840 -0.567 0.000 0.745 1298 L CB -1.245 40.502 42.059 -0.521 0.000 0.898 1298 L HN 0.215 nan 8.230 nan 0.000 0.433 1299 G N -1.784 106.992 108.800 -0.040 0.000 2.418 1299 G HA2 -0.253 3.685 3.960 -0.037 0.000 0.217 1299 G HA3 -0.253 3.685 3.960 -0.037 0.000 0.217 1299 G C 1.439 176.390 174.900 0.085 0.000 1.158 1299 G CA 1.206 46.332 45.100 0.044 0.000 0.771 1299 G HN 0.439 nan 8.290 nan 0.000 0.545 1300 T N 0.637 115.247 114.554 0.093 0.000 2.746 1300 T HA -0.132 4.196 4.350 -0.037 0.000 0.267 1300 T C 1.932 176.723 174.700 0.152 0.000 1.039 1300 T CA 1.157 63.328 62.100 0.117 0.000 1.142 1300 T CB -0.305 68.634 68.868 0.119 0.000 0.866 1300 T HN 0.247 nan 8.240 nan 0.000 0.444 1301 F N 1.421 121.380 119.950 0.015 0.000 2.126 1301 F HA -0.048 4.460 4.527 -0.031 0.000 0.299 1301 F C 1.915 177.740 175.800 0.041 0.000 1.096 1301 F CA 1.225 59.255 58.000 0.049 0.000 1.255 1301 F CB -0.279 38.761 39.000 0.067 0.000 0.997 1301 F HN 0.064 nan 8.300 nan 0.000 0.479 1302 L N 0.153 121.498 121.223 0.202 0.000 2.072 1302 L HA -0.162 4.156 4.340 -0.037 0.000 0.205 1302 L C 2.563 179.466 176.870 0.056 0.000 1.079 1302 L CA 1.705 56.617 54.840 0.119 0.000 0.752 1302 L CB -0.993 41.140 42.059 0.123 0.000 0.906 1302 L HN 0.281 nan 8.230 nan 0.000 0.436 1303 E N -0.135 120.114 120.200 0.082 0.000 2.152 1303 E HA -0.203 4.125 4.350 -0.037 0.000 0.192 1303 E C 1.613 178.252 176.600 0.064 0.000 0.983 1303 E CA 1.121 57.579 56.400 0.098 0.000 0.818 1303 E CB -0.238 29.540 29.700 0.131 0.000 0.758 1303 E HN 0.399 nan 8.360 nan 0.000 0.467 1304 N N 1.302 120.014 118.700 0.021 0.000 2.120 1304 N HA -0.153 4.565 4.740 -0.037 0.000 0.188 1304 N C 1.772 177.256 175.510 -0.043 0.000 1.024 1304 N CA 1.252 54.295 53.050 -0.012 0.000 0.852 1304 N CB -0.411 38.051 38.487 -0.043 0.000 1.003 1304 N HN 0.260 nan 8.380 nan 0.000 0.424 1305 R N 0.766 121.199 120.500 -0.112 0.000 2.073 1305 R HA -0.055 4.263 4.340 -0.037 0.000 0.234 1305 R C 1.798 178.109 176.300 0.017 0.000 1.134 1305 R CA 1.180 57.218 56.100 -0.103 0.000 0.952 1305 R CB -0.225 29.971 30.300 -0.172 0.000 0.850 1305 R HN -0.013 nan 8.270 nan 0.000 0.433 1306 V N 1.457 121.394 119.914 0.039 0.000 2.307 1306 V HA -0.236 3.862 4.120 -0.037 0.000 0.245 1306 V C 1.690 177.898 176.094 0.190 0.000 1.045 1306 V CA 2.276 64.641 62.300 0.108 0.000 1.024 1306 V CB -0.701 31.185 31.823 0.105 0.000 0.651 1306 V HN 0.484 nan 8.190 nan 0.000 0.449 1307 N N -0.053 118.730 118.700 0.139 0.000 2.244 1307 N HA -0.159 4.559 4.740 -0.037 0.000 0.183 1307 N C 1.461 177.030 175.510 0.100 0.000 1.016 1307 N CA 1.213 54.340 53.050 0.128 0.000 0.866 1307 N CB -0.141 38.407 38.487 0.103 0.000 0.980 1307 N HN 0.456 nan 8.380 nan 0.000 0.430 1308 D N 0.437 120.888 120.400 0.085 0.000 2.117 1308 D HA -0.158 4.460 4.640 -0.037 0.000 0.197 1308 D C 1.543 177.893 176.300 0.084 0.000 0.987 1308 D CA 0.706 54.743 54.000 0.062 0.000 0.829 1308 D CB -0.361 40.463 40.800 0.039 0.000 0.961 1308 D HN 0.202 nan 8.370 nan 0.000 0.460 1309 F N 1.358 121.303 119.950 -0.009 0.000 2.095 1309 F HA -0.152 4.413 4.527 0.062 0.000 0.298 1309 F C 2.084 177.888 175.800 0.007 0.000 1.104 1309 F CA 1.237 59.231 58.000 -0.010 0.000 1.232 1309 F CB -0.353 38.632 39.000 -0.025 0.000 0.987 1309 F HN -0.112 nan 8.300 nan 0.000 0.475 1310 L N 0.046 121.286 121.223 0.028 0.000 2.046 1310 L HA -0.209 4.109 4.340 -0.037 0.000 0.208 1310 L C 2.697 179.504 176.870 -0.104 0.000 1.077 1310 L CA 1.435 56.237 54.840 -0.062 0.000 0.747 1310 L CB -0.692 41.442 42.059 0.126 0.000 0.896 1310 L HN 0.078 nan 8.230 nan 0.000 0.432 1311 R N -0.254 120.217 120.500 -0.048 0.000 2.105 1311 R HA -0.145 4.173 4.340 -0.037 0.000 0.239 1311 R C 2.439 178.687 176.300 -0.086 0.000 1.135 1311 R CA 1.252 57.325 56.100 -0.045 0.000 0.967 1311 R CB -0.243 30.049 30.300 -0.013 0.000 0.861 1311 R HN 0.361 nan 8.270 nan 0.000 0.442 1312 R N 0.111 120.529 120.500 -0.136 0.000 2.115 1312 R HA -0.103 4.215 4.340 -0.037 0.000 0.230 1312 R C 2.145 178.329 176.300 -0.193 0.000 1.111 1312 R CA 0.971 56.981 56.100 -0.151 0.000 0.976 1312 R CB -0.014 30.190 30.300 -0.161 0.000 0.870 1312 R HN 0.224 nan 8.270 nan 0.000 0.445 1313 Q N 0.031 119.655 119.800 -0.294 0.000 2.187 1313 Q HA -0.092 4.227 4.340 -0.037 0.000 0.199 1313 Q C 0.486 176.424 176.000 -0.103 0.000 0.957 1313 Q CA 0.356 56.015 55.803 -0.240 0.000 0.857 1313 Q CB -0.517 28.021 28.738 -0.332 0.000 0.929 1313 Q HN 0.408 nan 8.270 nan 0.000 0.453 1314 N N 0.792 119.445 118.700 -0.078 0.000 2.727 1314 N HA -0.198 4.520 4.740 -0.037 0.000 0.249 1314 N C -0.759 174.741 175.510 -0.018 0.000 1.048 1314 N CA -0.008 53.018 53.050 -0.041 0.000 0.714 1314 N CB -0.580 37.875 38.487 -0.053 0.000 0.959 1314 N HN 0.341 nan 8.380 nan 0.000 0.544 1315 H N 0.830 119.859 119.070 -0.068 0.000 2.646 1315 H HA 0.179 4.670 4.556 -0.108 0.000 0.325 1315 H C -1.510 173.792 175.328 -0.044 0.000 1.075 1315 H CA -1.159 54.859 56.048 -0.051 0.000 1.421 1315 H CB 1.484 31.221 29.762 -0.043 0.000 1.461 1315 H HN 0.211 nan 8.280 nan 0.000 0.525 1316 P HA -0.052 nan 4.420 nan 0.000 0.226 1316 P C 0.556 177.920 177.300 0.106 0.000 1.153 1316 P CA 0.747 63.851 63.100 0.007 0.000 0.777 1316 P CB 0.623 32.276 31.700 -0.078 0.000 0.794 1317 E N -0.122 120.270 120.200 0.319 0.000 2.472 1317 E HA 0.046 4.375 4.350 -0.037 0.000 0.196 1317 E C 0.807 177.392 176.600 -0.025 0.000 1.033 1317 E CA 0.179 56.658 56.400 0.132 0.000 0.886 1317 E CB -0.041 29.746 29.700 0.145 0.000 0.944 1317 E HN 0.309 nan 8.360 nan 0.000 0.492 1318 S N 0.137 115.832 115.700 -0.007 0.000 2.576 1318 S HA 0.492 4.940 4.470 -0.037 0.000 0.276 1318 S C 0.592 175.145 174.600 -0.078 0.000 1.339 1318 S CA -0.195 57.941 58.200 -0.106 0.000 1.039 1318 S CB 1.817 65.014 63.200 -0.005 0.000 0.902 1318 S HN 0.069 nan 8.310 nan 0.000 0.516 1319 G N 0.249 108.971 108.800 -0.130 0.000 2.511 1319 G HA2 0.478 4.416 3.960 -0.037 0.000 0.318 1319 G HA3 0.478 4.416 3.960 -0.037 0.000 0.318 1319 G C -0.988 173.926 174.900 0.024 0.000 1.210 1319 G CA -1.004 44.062 45.100 -0.057 0.000 0.969 1319 G HN 0.883 nan 8.290 nan 0.000 0.484 1320 E N -0.401 119.834 120.200 0.059 0.000 2.415 1320 E HA 0.244 4.572 4.350 -0.037 0.000 0.263 1320 E C -0.360 176.348 176.600 0.180 0.000 0.995 1320 E CA -0.163 56.303 56.400 0.109 0.000 0.915 1320 E CB 0.688 30.442 29.700 0.091 0.000 0.951 1320 E HN 0.101 nan 8.360 nan 0.000 0.449 1321 V N 4.259 124.314 119.914 0.235 0.000 2.472 1321 V HA 0.271 4.369 4.120 -0.037 0.000 0.290 1321 V C -0.007 176.265 176.094 0.296 0.000 1.037 1321 V CA -0.492 62.015 62.300 0.346 0.000 0.908 1321 V CB 1.954 34.023 31.823 0.410 0.000 0.985 1321 V HN 0.737 nan 8.190 nan 0.000 0.454 1322 T N 4.148 118.922 114.554 0.367 0.000 2.807 1322 T HA 0.611 4.939 4.350 -0.037 0.000 0.279 1322 T C -0.587 174.354 174.700 0.403 0.000 0.993 1322 T CA -0.358 61.932 62.100 0.316 0.000 0.970 1322 T CB 1.609 70.626 68.868 0.249 0.000 0.950 1322 T HN 0.352 nan 8.240 nan 0.000 0.441 1323 V N 4.729 124.814 119.914 0.285 0.000 2.495 1323 V HA 0.655 4.753 4.120 -0.037 0.000 0.298 1323 V C -0.289 175.946 176.094 0.234 0.000 1.031 1323 V CA -0.947 61.508 62.300 0.259 0.000 0.871 1323 V CB 1.694 33.612 31.823 0.158 0.000 0.988 1323 V HN 0.676 nan 8.190 nan 0.000 0.432 1324 R N 2.839 123.509 120.500 0.283 0.000 2.575 1324 R HA 0.568 4.886 4.340 -0.037 0.000 0.293 1324 R C -1.285 175.115 176.300 0.167 0.000 0.983 1324 R CA -0.726 55.502 56.100 0.214 0.000 0.887 1324 R CB 2.313 32.760 30.300 0.246 0.000 1.184 1324 R HN 0.477 nan 8.270 nan 0.000 0.445 1325 V N 3.592 123.560 119.914 0.090 0.000 2.455 1325 V HA 0.088 4.186 4.120 -0.037 0.000 0.273 1325 V C 1.336 177.474 176.094 0.073 0.000 1.045 1325 V CA -0.093 62.240 62.300 0.055 0.000 0.976 1325 V CB 1.344 33.177 31.823 0.016 0.000 0.993 1325 V HN 0.695 nan 8.190 nan 0.000 0.475 1326 V N 1.103 121.079 119.914 0.103 0.000 3.477 1326 V HA 0.440 4.538 4.120 -0.037 0.000 0.297 1326 V C 0.409 176.580 176.094 0.128 0.000 1.433 1326 V CA 0.251 62.611 62.300 0.099 0.000 1.052 1326 V CB -0.297 31.596 31.823 0.117 0.000 0.895 1326 V HN 0.907 nan 8.190 nan 0.000 0.438 1327 H N 0.569 119.648 119.070 0.015 0.000 3.086 1327 H HA 0.757 5.291 4.556 -0.037 0.000 0.353 1327 H C -1.674 173.665 175.328 0.018 0.000 1.134 1327 H CA 0.403 56.463 56.048 0.020 0.000 1.248 1327 H CB 2.359 32.147 29.762 0.043 0.000 1.878 1327 H HN 0.421 nan 8.280 nan 0.000 0.527 1328 A N 3.464 125.937 122.820 -0.578 0.000 2.456 1328 A HA 0.538 4.836 4.320 -0.037 0.000 0.288 1328 A C -1.131 176.181 177.584 -0.454 0.000 1.042 1328 A CA -0.028 51.812 52.037 -0.327 0.000 0.738 1328 A CB 1.142 20.068 19.000 -0.124 0.000 1.266 1328 A HN 0.780 nan 8.150 nan 0.000 0.407 1329 S N 1.315 116.856 115.700 -0.265 0.000 2.579 1329 S HA 0.716 5.164 4.470 -0.037 0.000 0.272 1329 S C -1.505 173.045 174.600 -0.083 0.000 1.141 1329 S CA -0.864 57.252 58.200 -0.141 0.000 0.843 1329 S CB 1.620 64.791 63.200 -0.049 0.000 1.122 1329 S HN 0.482 nan 8.310 nan 0.000 0.468 1330 D N 1.898 122.242 120.400 -0.094 0.000 2.308 1330 D HA 0.482 5.100 4.640 -0.037 0.000 0.251 1330 D C -0.141 176.033 176.300 -0.211 0.000 1.127 1330 D CA 0.031 53.946 54.000 -0.142 0.000 0.876 1330 D CB 0.854 41.602 40.800 -0.086 0.000 1.176 1330 D HN 0.358 nan 8.370 nan 0.000 0.446 1331 K N 0.452 120.591 120.400 -0.435 0.000 2.466 1331 K HA 0.574 4.872 4.320 -0.037 0.000 0.260 1331 K C -0.233 176.091 176.600 -0.460 0.000 1.011 1331 K CA -0.742 55.237 56.287 -0.513 0.000 0.871 1331 K CB 2.021 33.989 32.500 -0.886 0.000 1.404 1331 K HN 0.510 nan 8.250 nan 0.000 0.450 1332 T N -2.978 111.491 114.554 -0.141 0.000 2.900 1332 T HA 0.453 4.781 4.350 -0.037 0.000 0.295 1332 T C -0.877 174.051 174.700 0.380 0.000 1.044 1332 T CA -0.824 61.358 62.100 0.136 0.000 0.995 1332 T CB 1.640 70.568 68.868 0.101 0.000 1.072 1332 T HN 0.229 nan 8.240 nan 0.000 0.473 1333 V N 2.115 122.373 119.914 0.573 0.000 2.347 1333 V HA 0.451 4.549 4.120 -0.037 0.000 0.280 1333 V C -0.148 176.162 176.094 0.360 0.000 1.021 1333 V CA -0.533 62.074 62.300 0.511 0.000 0.847 1333 V CB 0.822 32.993 31.823 0.579 0.000 0.990 1333 V HN 1.022 nan 8.190 nan 0.000 0.444 1334 E N 4.497 124.843 120.200 0.244 0.000 2.289 1334 E HA 0.329 4.657 4.350 -0.037 0.000 0.278 1334 E C -0.552 176.114 176.600 0.110 0.000 1.032 1334 E CA -0.514 55.959 56.400 0.122 0.000 0.854 1334 E CB 1.843 31.598 29.700 0.091 0.000 1.046 1334 E HN 0.637 nan 8.360 nan 0.000 0.409 1335 V N 4.539 124.407 119.914 -0.076 0.000 2.529 1335 V HA -0.051 4.047 4.120 -0.037 0.000 0.292 1335 V C 0.530 176.634 176.094 0.017 0.000 1.028 1335 V CA 0.290 62.460 62.300 -0.216 0.000 1.074 1335 V CB 0.132 31.760 31.823 -0.324 0.000 0.958 1335 V HN 0.601 nan 8.190 nan 0.000 0.481 1336 K N 6.731 127.229 120.400 0.163 0.000 2.180 1336 K HA 0.267 4.565 4.320 -0.037 0.000 0.251 1336 K C -2.337 174.312 176.600 0.081 0.000 1.014 1336 K CA -1.281 55.088 56.287 0.136 0.000 0.913 1336 K CB 0.230 32.829 32.500 0.165 0.000 1.008 1336 K HN 0.452 nan 8.250 nan 0.000 0.490 1337 P HA 0.066 nan 4.420 nan 0.000 0.282 1337 P C 0.286 177.605 177.300 0.031 0.000 1.262 1337 P CA 0.251 63.370 63.100 0.031 0.000 0.773 1337 P CB 1.270 32.982 31.700 0.021 0.000 0.879 1338 G N 3.390 112.203 108.800 0.021 0.000 3.151 1338 G HA2 -0.246 3.692 3.960 -0.037 0.000 0.197 1338 G HA3 -0.246 3.692 3.960 -0.037 0.000 0.197 1338 G C 1.054 175.973 174.900 0.032 0.000 1.682 1338 G CA 0.036 45.145 45.100 0.016 0.000 1.205 1338 G HN 0.362 nan 8.290 nan 0.000 0.510 1339 M N 1.122 120.782 119.600 0.100 0.000 2.254 1339 M HA 0.141 4.599 4.480 -0.037 0.000 0.265 1339 M C 2.235 178.616 176.300 0.135 0.000 1.066 1339 M CA 1.870 57.287 55.300 0.196 0.000 1.123 1339 M CB -0.781 31.971 32.600 0.254 0.000 1.388 1339 M HN 0.481 nan 8.290 nan 0.000 0.425 1340 K N 0.374 120.808 120.400 0.057 0.000 2.057 1340 K HA -0.082 4.217 4.320 -0.037 0.000 0.206 1340 K C 1.892 178.488 176.600 -0.006 0.000 1.050 1340 K CA 1.462 57.758 56.287 0.015 0.000 0.935 1340 K CB 0.049 32.548 32.500 -0.002 0.000 0.715 1340 K HN 0.213 nan 8.250 nan 0.000 0.439 1341 A N 1.084 123.891 122.820 -0.022 0.000 1.968 1341 A HA -0.104 4.194 4.320 -0.037 0.000 0.217 1341 A C 2.100 179.617 177.584 -0.111 0.000 1.169 1341 A CA 1.135 53.139 52.037 -0.054 0.000 0.638 1341 A CB -0.347 18.624 19.000 -0.048 0.000 0.812 1341 A HN 0.322 nan 8.150 nan 0.000 0.446 1342 R N -2.174 118.223 120.500 -0.171 0.000 2.066 1342 R HA 0.091 4.409 4.340 -0.037 0.000 0.224 1342 R C 1.245 177.209 176.300 -0.560 0.000 1.122 1342 R CA 1.504 57.342 56.100 -0.436 0.000 0.974 1342 R CB -0.078 29.841 30.300 -0.635 0.000 0.871 1342 R HN 0.522 nan 8.270 nan 0.000 0.435 1343 F N -1.716 118.219 119.950 -0.025 0.000 2.667 1343 F HA 0.134 4.639 4.527 -0.036 0.000 0.288 1343 F C 1.848 177.623 175.800 -0.042 0.000 1.086 1343 F CA -0.267 57.715 58.000 -0.029 0.000 1.297 1343 F CB 0.233 39.217 39.000 -0.027 0.000 1.059 1343 F HN -0.230 nan 8.300 nan 0.000 0.624 1344 V N 0.317 120.299 119.914 0.114 0.000 2.283 1344 V HA -0.224 3.874 4.120 -0.037 0.000 0.243 1344 V C 1.660 177.754 176.094 -0.000 0.000 1.039 1344 V CA 2.011 64.327 62.300 0.026 0.000 1.016 1344 V CB -0.437 31.374 31.823 -0.021 0.000 0.650 1344 V HN 0.182 nan 8.190 nan 0.000 0.449 1345 D N -0.206 120.186 120.400 -0.013 0.000 2.311 1345 D HA -0.129 4.489 4.640 -0.037 0.000 0.212 1345 D C 2.203 178.490 176.300 -0.021 0.000 0.972 1345 D CA 1.553 55.538 54.000 -0.024 0.000 0.887 1345 D CB -0.114 40.666 40.800 -0.033 0.000 0.915 1345 D HN 0.433 nan 8.370 nan 0.000 0.497 1346 S N -1.219 114.472 115.700 -0.014 0.000 2.524 1346 S HA 0.221 4.670 4.470 -0.037 0.000 0.216 1346 S C 1.522 176.126 174.600 0.008 0.000 0.987 1346 S CA 0.947 59.142 58.200 -0.008 0.000 0.909 1346 S CB 0.019 63.212 63.200 -0.012 0.000 0.781 1346 S HN 0.351 nan 8.310 nan 0.000 0.521 1347 G N 1.014 109.821 108.800 0.011 0.000 2.143 1347 G HA2 -0.229 3.709 3.960 -0.037 0.000 0.249 1347 G HA3 -0.229 3.709 3.960 -0.037 0.000 0.249 1347 G C 0.404 175.316 174.900 0.021 0.000 0.981 1347 G CA 0.507 45.610 45.100 0.005 0.000 0.665 1347 G HN 0.592 nan 8.290 nan 0.000 0.528 1348 E N -1.041 119.194 120.200 0.059 0.000 2.371 1348 E HA 0.354 4.682 4.350 -0.037 0.000 0.194 1348 E C 1.103 177.731 176.600 0.046 0.000 1.012 1348 E CA 0.606 57.051 56.400 0.076 0.000 0.860 1348 E CB 0.335 30.137 29.700 0.170 0.000 0.811 1348 E HN 0.622 nan 8.360 nan 0.000 0.502 1349 M N -0.049 119.573 119.600 0.037 0.000 2.470 1349 M HA 0.463 4.921 4.480 -0.037 0.000 0.285 1349 M C -1.631 174.625 176.300 -0.073 0.000 1.213 1349 M CA -0.617 54.684 55.300 0.002 0.000 0.901 1349 M CB 1.812 34.426 32.600 0.025 0.000 1.718 1349 M HN -0.086 nan 8.290 nan 0.000 0.469 1350 A N 1.850 124.564 122.820 -0.175 0.000 2.425 1350 A HA 0.212 4.510 4.320 -0.037 0.000 0.242 1350 A C 0.764 178.092 177.584 -0.426 0.000 1.077 1350 A CA 0.217 52.038 52.037 -0.360 0.000 0.781 1350 A CB 0.083 18.725 19.000 -0.596 0.000 1.020 1350 A HN 0.991 nan 8.150 nan 0.000 0.494 1351 E N 0.751 120.757 120.200 -0.323 0.000 2.274 1351 E HA 0.019 4.347 4.350 -0.037 0.000 0.194 1351 E C 0.453 176.868 176.600 -0.309 0.000 0.996 1351 E CA 1.019 57.270 56.400 -0.248 0.000 0.840 1351 E CB -0.123 29.491 29.700 -0.144 0.000 0.772 1351 E HN 0.671 nan 8.360 nan 0.000 0.491 1352 S N -0.732 114.688 115.700 -0.466 0.000 2.588 1352 S HA 0.593 5.041 4.470 -0.037 0.000 0.269 1352 S C -1.219 173.018 174.600 -0.604 0.000 1.157 1352 S CA -1.117 56.862 58.200 -0.369 0.000 0.824 1352 S CB 0.856 64.003 63.200 -0.088 0.000 1.126 1352 S HN 0.130 nan 8.310 nan 0.000 0.464 1353 F N 1.567 121.607 119.950 0.150 0.000 2.507 1353 F HA 0.605 5.110 4.527 -0.036 0.000 0.328 1353 F C -2.552 173.477 175.800 0.381 0.000 1.136 1353 F CA -1.945 56.210 58.000 0.260 0.000 0.930 1353 F CB 2.495 41.678 39.000 0.307 0.000 1.166 1353 F HN 0.344 nan 8.300 nan 0.000 0.436 1354 P HA 0.263 nan 4.420 nan 0.000 0.284 1354 P C -1.532 175.929 177.300 0.269 0.000 1.253 1354 P CA -0.153 63.098 63.100 0.251 0.000 0.800 1354 P CB 1.093 32.873 31.700 0.134 0.000 0.961 1355 Y N -0.303 119.957 120.300 -0.066 0.000 2.670 1355 Y HA 0.705 5.233 4.550 -0.037 0.000 0.334 1355 Y C -0.941 174.882 175.900 -0.129 0.000 1.185 1355 Y CA -1.612 56.309 58.100 -0.299 0.000 1.053 1355 Y CB 1.367 39.227 38.460 -1.000 0.000 1.298 1355 Y HN 0.274 nan 8.280 nan 0.000 0.459 1356 R N 1.029 121.535 120.500 0.011 0.000 2.514 1356 R HA 0.567 4.885 4.340 -0.037 0.000 0.301 1356 R C -1.171 175.218 176.300 0.149 0.000 0.962 1356 R CA -0.543 55.558 56.100 0.001 0.000 0.882 1356 R CB 1.864 32.194 30.300 0.051 0.000 1.143 1356 R HN 0.941 nan 8.270 nan 0.000 0.452 1357 T N 2.797 117.430 114.554 0.132 0.000 2.829 1357 T HA 0.433 4.761 4.350 -0.037 0.000 0.282 1357 T C -0.997 173.822 174.700 0.199 0.000 0.990 1357 T CA -0.538 61.711 62.100 0.249 0.000 1.028 1357 T CB 0.563 69.630 68.868 0.332 0.000 0.951 1357 T HN 0.531 nan 8.240 nan 0.000 0.460 1358 K N 2.292 122.786 120.400 0.157 0.000 2.422 1358 K HA 0.732 5.030 4.320 -0.037 0.000 0.251 1358 K C -1.192 175.405 176.600 -0.004 0.000 0.933 1358 K CA -0.972 55.369 56.287 0.090 0.000 0.798 1358 K CB 2.237 34.755 32.500 0.030 0.000 1.238 1358 K HN 0.612 nan 8.250 nan 0.000 0.428 1359 A N 2.957 125.747 122.820 -0.050 0.000 2.303 1359 A HA 0.692 4.990 4.320 -0.037 0.000 0.320 1359 A C -0.952 176.448 177.584 -0.306 0.000 1.192 1359 A CA -0.727 51.071 52.037 -0.399 0.000 0.821 1359 A CB 0.162 18.939 19.000 -0.373 0.000 1.188 1359 A HN 0.615 nan 8.150 nan 0.000 0.492 1360 L N -0.578 120.337 121.223 -0.514 0.000 2.371 1360 L HA 1.016 5.334 4.340 -0.037 0.000 0.262 1360 L C -1.173 175.338 176.870 -0.598 0.000 1.006 1360 L CA -0.675 53.976 54.840 -0.315 0.000 0.818 1360 L CB 1.268 43.229 42.059 -0.162 0.000 1.354 1360 L HN 0.436 nan 8.230 nan 0.000 0.415 1361 F N 0.617 120.496 119.950 -0.118 0.000 2.576 1361 F HA 0.888 5.392 4.527 -0.038 0.000 0.313 1361 F C 0.133 175.791 175.800 -0.236 0.000 1.078 1361 F CA -0.501 57.354 58.000 -0.242 0.000 0.921 1361 F CB 2.467 41.238 39.000 -0.381 0.000 1.232 1361 F HN 0.855 nan 8.300 nan 0.000 0.459 1362 A N 2.527 125.213 122.820 -0.223 0.000 2.350 1362 A HA 0.875 5.173 4.320 -0.037 0.000 0.324 1362 A C -1.660 175.623 177.584 -0.501 0.000 1.118 1362 A CA -0.435 51.450 52.037 -0.254 0.000 0.783 1362 A CB 0.583 19.366 19.000 -0.362 0.000 1.236 1362 A HN 0.591 nan 8.150 nan 0.000 0.457 1363 F N 0.251 120.362 119.950 0.268 0.000 2.551 1363 F HA 0.588 5.092 4.527 -0.039 0.000 0.316 1363 F C 0.329 176.497 175.800 0.613 0.000 1.089 1363 F CA -0.386 57.876 58.000 0.437 0.000 0.915 1363 F CB 2.247 41.413 39.000 0.276 0.000 1.186 1363 F HN 0.662 nan 8.300 nan 0.000 0.456 1364 E N 1.928 122.569 120.200 0.736 0.000 2.222 1364 E HA 0.138 4.466 4.350 -0.037 0.000 0.267 1364 E C -1.144 175.587 176.600 0.218 0.000 0.884 1364 E CA -0.725 55.899 56.400 0.374 0.000 0.764 1364 E CB 1.668 31.383 29.700 0.024 0.000 1.169 1364 E HN 0.663 nan 8.360 nan 0.000 0.413 1365 E N 5.778 126.058 120.200 0.134 0.000 2.257 1365 E HA 0.123 4.451 4.350 -0.037 0.000 0.278 1365 E C -0.984 175.616 176.600 0.000 0.000 1.049 1365 E CA -0.021 56.424 56.400 0.075 0.000 0.876 1365 E CB 0.386 30.124 29.700 0.062 0.000 1.035 1365 E HN 0.465 nan 8.360 nan 0.000 0.419 1366 I N 4.171 124.742 120.570 0.002 0.000 2.439 1366 I HA 0.070 4.218 4.170 -0.037 0.000 0.285 1366 I C -0.089 176.019 176.117 -0.015 0.000 1.021 1366 I CA -0.689 60.587 61.300 -0.039 0.000 1.091 1366 I CB 1.356 39.322 38.000 -0.058 0.000 1.242 1366 I HN 0.576 nan 8.210 nan 0.000 0.439 1367 D N 5.325 125.713 120.400 -0.020 0.000 2.701 1367 D HA -0.212 4.406 4.640 -0.037 0.000 0.235 1367 D C 1.141 177.444 176.300 0.005 0.000 1.155 1367 D CA 1.796 55.792 54.000 -0.008 0.000 0.649 1367 D CB -0.642 40.152 40.800 -0.009 0.000 1.050 1367 D HN 1.125 nan 8.370 nan 0.000 0.425 1368 G N -2.422 106.385 108.800 0.010 0.000 2.179 1368 G HA2 -0.245 3.693 3.960 -0.037 0.000 0.260 1368 G HA3 -0.245 3.693 3.960 -0.037 0.000 0.260 1368 G C 0.314 175.232 174.900 0.030 0.000 0.977 1368 G CA 0.249 45.361 45.100 0.019 0.000 0.641 1368 G HN 0.841 nan 8.290 nan 0.000 0.533 1369 V N 1.239 121.176 119.914 0.038 0.000 2.555 1369 V HA 0.481 4.579 4.120 -0.037 0.000 0.302 1369 V C -0.195 175.950 176.094 0.085 0.000 1.038 1369 V CA -1.099 61.234 62.300 0.055 0.000 0.887 1369 V CB 1.866 33.720 31.823 0.052 0.000 0.991 1369 V HN 0.242 nan 8.190 nan 0.000 0.434 1370 D N 2.952 123.418 120.400 0.109 0.000 2.302 1370 D HA 0.417 5.035 4.640 -0.037 0.000 0.248 1370 D C -0.640 175.813 176.300 0.255 0.000 1.094 1370 D CA -0.060 54.054 54.000 0.189 0.000 0.897 1370 D CB 2.107 43.010 40.800 0.171 0.000 1.200 1370 D HN 0.334 nan 8.370 nan 0.000 0.429 1371 L N 3.249 124.682 121.223 0.350 0.000 2.376 1371 L HA 0.299 4.617 4.340 -0.037 0.000 0.275 1371 L C -1.012 176.177 176.870 0.530 0.000 0.987 1371 L CA -0.715 54.355 54.840 0.383 0.000 0.828 1371 L CB 1.565 43.805 42.059 0.302 0.000 1.249 1371 L HN 0.379 nan 8.230 nan 0.000 0.409 1372 C N 5.793 125.371 119.300 0.464 0.000 2.555 1372 C HA 0.391 4.829 4.460 -0.037 0.000 0.385 1372 C C 1.124 176.188 174.990 0.123 0.000 1.296 1372 C CA -0.286 58.816 59.018 0.139 0.000 1.757 1372 C CB -1.452 26.358 27.740 0.117 0.000 2.445 1372 C HN 0.881 nan 8.230 nan 0.000 0.571 1373 F N 3.849 123.839 119.950 0.067 0.000 2.728 1373 F HA 0.538 5.047 4.527 -0.029 0.000 0.314 1373 F C -0.390 175.515 175.800 0.174 0.000 1.094 1373 F CA -0.804 57.251 58.000 0.093 0.000 1.217 1373 F CB -0.088 39.111 39.000 0.331 0.000 1.056 1373 F HN 0.422 nan 8.300 nan 0.000 0.577 1374 F N 1.105 120.789 119.950 -0.444 0.000 2.615 1374 F HA 0.759 5.268 4.527 -0.030 0.000 0.312 1374 F C -0.626 175.121 175.800 -0.089 0.000 1.119 1374 F CA -0.985 56.871 58.000 -0.240 0.000 0.979 1374 F CB 1.801 40.507 39.000 -0.489 0.000 1.266 1374 F HN 0.130 nan 8.300 nan 0.000 0.444 1375 G N 4.928 113.202 108.800 -0.876 0.000 2.659 1375 G HA2 0.652 4.590 3.960 -0.037 0.000 0.296 1375 G HA3 0.652 4.590 3.960 -0.037 0.000 0.296 1375 G C -2.268 171.870 174.900 -1.271 0.000 1.369 1375 G CA -0.873 43.511 45.100 -1.193 0.000 0.937 1375 G HN 0.867 nan 8.290 nan 0.000 0.485 1376 M N 0.995 119.955 119.600 -1.066 0.000 2.413 1376 M HA 0.511 4.969 4.480 -0.037 0.000 0.287 1376 M C -2.027 173.901 176.300 -0.620 0.000 1.186 1376 M CA -0.682 54.214 55.300 -0.674 0.000 0.927 1376 M CB 2.210 34.529 32.600 -0.469 0.000 1.715 1376 M HN 0.690 nan 8.290 nan 0.000 0.478 1377 H N 2.248 121.126 119.070 -0.320 0.000 2.466 1377 H HA 0.694 5.229 4.556 -0.036 0.000 0.338 1377 H C -0.744 174.470 175.328 -0.190 0.000 1.091 1377 H CA -0.364 55.568 56.048 -0.193 0.000 1.207 1377 H CB 1.781 31.507 29.762 -0.061 0.000 1.466 1377 H HN 0.515 nan 8.280 nan 0.000 0.493 1378 V N 1.052 120.933 119.914 -0.056 0.000 3.074 1378 V HA 0.589 4.687 4.120 -0.037 0.000 0.314 1378 V C -0.669 175.462 176.094 0.060 0.000 1.117 1378 V CA -1.010 61.241 62.300 -0.082 0.000 1.014 1378 V CB 2.265 33.965 31.823 -0.206 0.000 1.057 1378 V HN 0.726 nan 8.190 nan 0.000 0.438 1379 Q N 0.913 120.754 119.800 0.069 0.000 2.330 1379 Q HA 0.587 4.905 4.340 -0.037 0.000 0.269 1379 Q C -1.314 174.726 176.000 0.066 0.000 1.022 1379 Q CA -0.373 55.481 55.803 0.084 0.000 0.796 1379 Q CB 2.767 31.477 28.738 -0.047 0.000 1.271 1379 Q HN 0.851 nan 8.270 nan 0.000 0.450 1380 E N 2.258 122.487 120.200 0.049 0.000 2.191 1380 E HA 0.289 4.617 4.350 -0.037 0.000 0.263 1380 E C -1.446 175.247 176.600 0.155 0.000 0.881 1380 E CA -0.477 55.986 56.400 0.104 0.000 0.757 1380 E CB 1.447 31.179 29.700 0.053 0.000 1.147 1380 E HN 0.457 nan 8.360 nan 0.000 0.414 1381 Y N 1.104 121.647 120.300 0.405 0.000 2.369 1381 Y HA 0.378 4.906 4.550 -0.037 0.000 0.337 1381 Y C 0.991 177.118 175.900 0.378 0.000 0.961 1381 Y CA -0.728 57.602 58.100 0.384 0.000 1.186 1381 Y CB 1.580 40.232 38.460 0.320 0.000 1.139 1381 Y HN 0.606 nan 8.280 nan 0.000 0.494 1382 G N 0.529 109.544 108.800 0.357 0.000 2.553 1382 G HA2 0.161 4.099 3.960 -0.037 0.000 0.278 1382 G HA3 0.161 4.099 3.960 -0.037 0.000 0.278 1382 G C 0.853 175.794 174.900 0.068 0.000 1.349 1382 G CA -0.137 45.047 45.100 0.141 0.000 1.037 1382 G HN 0.665 nan 8.290 nan 0.000 0.508 1383 S N -1.300 114.376 115.700 -0.040 0.000 2.515 1383 S HA -0.037 4.411 4.470 -0.037 0.000 0.231 1383 S C 1.069 175.681 174.600 0.021 0.000 0.987 1383 S CA 1.277 59.458 58.200 -0.031 0.000 0.936 1383 S CB 0.142 63.294 63.200 -0.080 0.000 0.766 1383 S HN 0.434 nan 8.310 nan 0.000 0.528 1384 D N 0.632 121.060 120.400 0.047 0.000 2.367 1384 D HA 0.166 4.784 4.640 -0.037 0.000 0.207 1384 D C 0.556 176.913 176.300 0.095 0.000 1.034 1384 D CA -0.099 53.935 54.000 0.056 0.000 0.861 1384 D CB 0.085 40.913 40.800 0.047 0.000 0.943 1384 D HN 0.432 nan 8.370 nan 0.000 0.515 1385 C N 2.702 122.093 119.300 0.152 0.000 2.653 1385 C HA 0.249 4.687 4.460 -0.037 0.000 0.421 1385 C C -2.087 173.030 174.990 0.212 0.000 1.334 1385 C CA -1.430 57.729 59.018 0.235 0.000 1.885 1385 C CB 0.091 28.051 27.740 0.368 0.000 2.645 1385 C HN 0.048 nan 8.230 nan 0.000 0.601 1386 P HA 0.238 nan 4.420 nan 0.000 0.269 1386 P C -2.508 174.937 177.300 0.241 0.000 1.215 1386 P CA -0.674 62.538 63.100 0.187 0.000 0.780 1386 P CB -0.117 31.656 31.700 0.121 0.000 0.898 1387 P HA 0.096 nan 4.420 nan 0.000 0.272 1387 P C -1.791 175.572 177.300 0.105 0.000 1.230 1387 P CA -1.187 61.950 63.100 0.061 0.000 0.788 1387 P CB -0.530 31.177 31.700 0.012 0.000 0.949 1388 P HA 0.078 nan 4.420 nan 0.000 0.257 1388 P C 0.061 177.184 177.300 -0.294 0.000 1.281 1388 P CA 0.595 63.564 63.100 -0.218 0.000 0.826 1388 P CB 0.082 31.596 31.700 -0.310 0.000 1.237 1389 N N -0.042 118.464 118.700 -0.323 0.000 2.299 1389 N HA -0.008 4.710 4.740 -0.037 0.000 0.187 1389 N C 0.824 176.341 175.510 0.011 0.000 1.099 1389 N CA 0.141 52.991 53.050 -0.334 0.000 0.867 1389 N CB -0.285 37.830 38.487 -0.621 0.000 0.974 1389 N HN 0.456 nan 8.380 nan 0.000 0.477 1390 Q N 0.994 120.842 119.800 0.080 0.000 2.330 1390 Q HA 0.150 4.468 4.340 -0.037 0.000 0.279 1390 Q C -0.440 175.653 176.000 0.154 0.000 1.024 1390 Q CA -0.021 55.870 55.803 0.148 0.000 0.900 1390 Q CB 0.483 29.282 28.738 0.101 0.000 1.221 1390 Q HN 0.094 nan 8.270 nan 0.000 0.396 1391 R N 0.601 121.216 120.500 0.192 0.000 3.532 1391 R HA -0.173 4.145 4.340 -0.037 0.000 0.284 1391 R C -0.882 175.651 176.300 0.389 0.000 1.140 1391 R CA 0.793 56.999 56.100 0.178 0.000 0.768 1391 R CB -1.582 28.742 30.300 0.041 0.000 1.252 1391 R HN 0.721 nan 8.270 nan 0.000 0.454 1392 R N 0.304 121.102 120.500 0.497 0.000 2.670 1392 R HA 0.594 4.913 4.340 -0.037 0.000 0.289 1392 R C 0.041 176.618 176.300 0.462 0.000 0.965 1392 R CA -0.743 55.643 56.100 0.477 0.000 0.899 1392 R CB 2.364 32.915 30.300 0.418 0.000 1.173 1392 R HN 0.074 nan 8.270 nan 0.000 0.456 1393 V N -0.281 119.814 119.914 0.302 0.000 2.715 1393 V HA 0.643 4.741 4.120 -0.037 0.000 0.310 1393 V C -1.396 174.779 176.094 0.134 0.000 1.054 1393 V CA -0.830 61.566 62.300 0.160 0.000 0.928 1393 V CB 1.746 33.584 31.823 0.024 0.000 1.007 1393 V HN 0.792 nan 8.190 nan 0.000 0.437 1394 Y N 4.274 124.471 120.300 -0.171 0.000 2.421 1394 Y HA 0.716 5.245 4.550 -0.035 0.000 0.339 1394 Y C -0.812 174.990 175.900 -0.163 0.000 0.996 1394 Y CA -1.533 56.372 58.100 -0.326 0.000 1.046 1394 Y CB 1.863 39.766 38.460 -0.928 0.000 1.226 1394 Y HN 0.692 nan 8.280 nan 0.000 0.445 1395 I N 5.686 125.880 120.570 -0.627 0.000 2.363 1395 I HA 0.134 4.282 4.170 -0.037 0.000 0.292 1395 I C 1.085 176.643 176.117 -0.933 0.000 1.075 1395 I CA 0.362 61.306 61.300 -0.593 0.000 1.333 1395 I CB 0.400 38.180 38.000 -0.366 0.000 1.415 1395 I HN 0.789 nan 8.210 nan 0.000 0.502 1396 S N 5.358 120.719 115.700 -0.566 0.000 2.345 1396 S HA 0.037 4.485 4.470 -0.037 0.000 0.219 1396 S C -0.172 173.887 174.600 -0.902 0.000 1.031 1396 S CA 1.185 59.063 58.200 -0.537 0.000 0.984 1396 S CB 0.030 63.160 63.200 -0.118 0.000 0.874 1396 S HN 0.558 nan 8.310 nan 0.000 0.451 1397 Y N -0.889 119.226 120.300 -0.309 0.000 2.519 1397 Y HA 0.640 5.167 4.550 -0.038 0.000 0.336 1397 Y C -0.793 174.934 175.900 -0.289 0.000 1.089 1397 Y CA -0.861 57.017 58.100 -0.370 0.000 1.025 1397 Y CB 1.462 39.706 38.460 -0.360 0.000 1.318 1397 Y HN 0.047 nan 8.280 nan 0.000 0.452 1398 L N 2.728 123.904 121.223 -0.080 0.000 2.431 1398 L HA 0.806 5.125 4.340 -0.037 0.000 0.266 1398 L C -1.831 174.956 176.870 -0.138 0.000 0.978 1398 L CA -0.287 54.430 54.840 -0.205 0.000 0.822 1398 L CB 1.999 43.993 42.059 -0.109 0.000 1.310 1398 L HN 0.745 nan 8.230 nan 0.000 0.409 1399 D N 1.293 121.495 120.400 -0.329 0.000 2.599 1399 D HA 0.731 5.349 4.640 -0.037 0.000 0.252 1399 D C -1.677 174.582 176.300 -0.067 0.000 1.232 1399 D CA 0.137 54.089 54.000 -0.081 0.000 0.819 1399 D CB 2.566 43.426 40.800 0.100 0.000 1.401 1399 D HN 0.667 nan 8.370 nan 0.000 0.429 1400 S N -0.594 115.161 115.700 0.091 0.000 2.596 1400 S HA 0.750 5.198 4.470 -0.037 0.000 0.270 1400 S C -1.226 173.349 174.600 -0.042 0.000 1.155 1400 S CA -0.708 57.505 58.200 0.022 0.000 0.827 1400 S CB 1.115 64.265 63.200 -0.083 0.000 1.130 1400 S HN 0.824 nan 8.310 nan 0.000 0.467 1401 V N 0.298 120.122 119.914 -0.150 0.000 2.531 1401 V HA 0.640 4.738 4.120 -0.037 0.000 0.301 1401 V C 0.391 176.507 176.094 0.038 0.000 1.034 1401 V CA -0.782 61.422 62.300 -0.159 0.000 0.865 1401 V CB 0.996 32.675 31.823 -0.241 0.000 0.995 1401 V HN 1.227 nan 8.190 nan 0.000 0.424 1402 H N 3.069 121.937 119.070 -0.337 0.000 2.787 1402 H HA 0.272 4.807 4.556 -0.034 0.000 0.302 1402 H C 0.055 175.178 175.328 -0.341 0.000 1.098 1402 H CA -1.263 54.634 56.048 -0.252 0.000 1.192 1402 H CB -0.849 28.777 29.762 -0.226 0.000 1.316 1402 H HN 0.604 nan 8.280 nan 0.000 0.590 1403 F N -0.570 119.534 119.950 0.257 0.000 2.765 1403 F HA 0.179 4.682 4.527 -0.039 0.000 0.302 1403 F C 0.653 176.450 175.800 -0.005 0.000 1.111 1403 F CA -1.076 56.977 58.000 0.087 0.000 1.359 1403 F CB -0.455 38.613 39.000 0.114 0.000 1.097 1403 F HN 0.090 nan 8.300 nan 0.000 0.577 1404 F N 2.680 122.597 119.950 -0.054 0.000 2.629 1404 F HA 0.067 4.560 4.527 -0.058 0.000 0.377 1404 F C 0.835 176.508 175.800 -0.211 0.000 1.101 1404 F CA -0.056 57.765 58.000 -0.298 0.000 1.301 1404 F CB 0.353 39.022 39.000 -0.553 0.000 1.062 1404 F HN -0.107 nan 8.300 nan 0.000 0.583 1405 R N 8.240 128.186 120.500 -0.923 0.000 2.437 1405 R HA 0.458 4.776 4.340 -0.037 0.000 0.310 1405 R C -2.870 173.012 176.300 -0.697 0.000 0.955 1405 R CA -2.137 53.621 56.100 -0.571 0.000 0.851 1405 R CB 1.554 31.620 30.300 -0.390 0.000 1.161 1405 R HN 0.357 nan 8.270 nan 0.000 0.446 1406 P HA 0.162 nan 4.420 nan 0.000 0.279 1406 P C -0.410 176.825 177.300 -0.108 0.000 1.252 1406 P CA -0.392 62.527 63.100 -0.302 0.000 0.811 1406 P CB 1.334 32.647 31.700 -0.644 0.000 1.035 1407 K N 0.862 121.209 120.400 -0.087 0.000 2.089 1407 K HA -0.186 4.112 4.320 -0.037 0.000 0.210 1407 K C 1.803 178.376 176.600 -0.046 0.000 1.048 1407 K CA 2.465 58.721 56.287 -0.051 0.000 0.926 1407 K CB -0.822 31.641 32.500 -0.062 0.000 0.714 1407 K HN 0.617 nan 8.250 nan 0.000 0.448 1408 C N -0.391 118.875 119.300 -0.058 0.000 2.466 1408 C HA 0.112 4.550 4.460 -0.037 0.000 0.283 1408 C C 1.755 176.722 174.990 -0.037 0.000 1.472 1408 C CA -0.063 58.932 59.018 -0.037 0.000 1.765 1408 C CB -1.080 26.657 27.740 -0.005 0.000 1.724 1408 C HN 0.290 nan 8.230 nan 0.000 0.560 1409 L N -0.250 120.951 121.223 -0.036 0.000 2.766 1409 L HA 0.235 4.553 4.340 -0.037 0.000 0.242 1409 L C 2.788 179.507 176.870 -0.251 0.000 1.136 1409 L CA -0.077 54.748 54.840 -0.024 0.000 0.933 1409 L CB -0.587 41.535 42.059 0.104 0.000 1.241 1409 L HN 0.285 nan 8.230 nan 0.000 0.522 1410 R N 0.445 120.776 120.500 -0.281 0.000 2.082 1410 R HA -0.163 4.155 4.340 -0.037 0.000 0.234 1410 R C 1.950 177.739 176.300 -0.852 0.000 1.136 1410 R CA 2.318 58.030 56.100 -0.647 0.000 0.935 1410 R CB -0.249 29.850 30.300 -0.334 0.000 0.842 1410 R HN 0.144 nan 8.270 nan 0.000 0.430 1411 T N 0.858 115.128 114.554 -0.473 0.000 2.720 1411 T HA -0.136 4.192 4.350 -0.037 0.000 0.268 1411 T C 1.822 176.170 174.700 -0.586 0.000 1.037 1411 T CA 1.408 63.277 62.100 -0.385 0.000 1.144 1411 T CB -0.377 68.364 68.868 -0.211 0.000 0.864 1411 T HN 0.502 nan 8.240 nan 0.000 0.444 1412 A N 0.895 123.443 122.820 -0.452 0.000 1.917 1412 A HA -0.100 4.198 4.320 -0.037 0.000 0.219 1412 A C 2.583 179.816 177.584 -0.585 0.000 1.182 1412 A CA 1.613 53.393 52.037 -0.428 0.000 0.633 1412 A CB -1.049 17.880 19.000 -0.118 0.000 0.819 1412 A HN 0.377 nan 8.150 nan 0.000 0.448 1413 V N -1.282 118.275 119.914 -0.594 0.000 2.358 1413 V HA -0.227 3.871 4.120 -0.037 0.000 0.246 1413 V C 2.401 178.266 176.094 -0.382 0.000 1.047 1413 V CA 1.703 63.660 62.300 -0.572 0.000 1.035 1413 V CB -1.034 30.295 31.823 -0.824 0.000 0.658 1413 V HN 0.631 nan 8.190 nan 0.000 0.452 1414 Y N 0.534 120.626 120.300 -0.345 0.000 2.165 1414 Y HA -0.225 4.310 4.550 -0.024 0.000 0.286 1414 Y C 2.564 178.323 175.900 -0.235 0.000 1.155 1414 Y CA 1.419 59.355 58.100 -0.275 0.000 1.164 1414 Y CB -1.318 37.207 38.460 0.108 0.000 0.978 1414 Y HN 0.440 nan 8.280 nan 0.000 0.513 1415 H N -0.770 118.140 119.070 -0.267 0.000 2.357 1415 H HA -0.122 4.413 4.556 -0.035 0.000 0.301 1415 H C 2.008 177.136 175.328 -0.332 0.000 1.082 1415 H CA 0.727 56.539 56.048 -0.393 0.000 1.342 1415 H CB 0.295 29.777 29.762 -0.467 0.000 1.389 1415 H HN 0.220 nan 8.280 nan 0.000 0.511 1416 E N 0.931 120.965 120.200 -0.277 0.000 2.085 1416 E HA -0.158 4.170 4.350 -0.037 0.000 0.194 1416 E C 2.295 178.794 176.600 -0.167 0.000 0.994 1416 E CA 0.741 56.962 56.400 -0.299 0.000 0.801 1416 E CB -0.197 29.208 29.700 -0.491 0.000 0.743 1416 E HN 0.554 nan 8.360 nan 0.000 0.453 1417 I N 0.589 121.047 120.570 -0.186 0.000 2.179 1417 I HA -0.269 3.879 4.170 -0.037 0.000 0.242 1417 I C 2.471 178.566 176.117 -0.037 0.000 1.088 1417 I CA 0.862 62.073 61.300 -0.148 0.000 1.357 1417 I CB -0.264 37.502 38.000 -0.390 0.000 1.051 1417 I HN 0.043 nan 8.210 nan 0.000 0.409 1418 L N 0.137 121.328 121.223 -0.053 0.000 2.046 1418 L HA -0.214 4.104 4.340 -0.037 0.000 0.208 1418 L C 2.544 179.453 176.870 0.064 0.000 1.077 1418 L CA 1.029 55.897 54.840 0.047 0.000 0.747 1418 L CB -0.477 41.590 42.059 0.013 0.000 0.896 1418 L HN 0.228 nan 8.230 nan 0.000 0.432 1419 I N 0.273 120.830 120.570 -0.022 0.000 2.226 1419 I HA -0.179 3.969 4.170 -0.037 0.000 0.245 1419 I C 2.675 178.841 176.117 0.082 0.000 1.100 1419 I CA 1.706 63.001 61.300 -0.008 0.000 1.374 1419 I CB -1.953 36.006 38.000 -0.069 0.000 1.057 1419 I HN 0.240 nan 8.210 nan 0.000 0.413 1420 G N -0.281 108.585 108.800 0.110 0.000 2.422 1420 G HA2 -0.335 3.603 3.960 -0.037 0.000 0.218 1420 G HA3 -0.335 3.603 3.960 -0.037 0.000 0.218 1420 G C 1.764 176.873 174.900 0.348 0.000 1.146 1420 G CA 0.705 45.957 45.100 0.252 0.000 0.769 1420 G HN 0.366 nan 8.290 nan 0.000 0.547 1421 Y N 1.230 121.611 120.300 0.135 0.000 2.145 1421 Y HA -0.033 4.494 4.550 -0.039 0.000 0.286 1421 Y C 2.587 178.551 175.900 0.106 0.000 1.145 1421 Y CA 1.375 59.537 58.100 0.103 0.000 1.148 1421 Y CB -0.306 38.178 38.460 0.041 0.000 0.981 1421 Y HN 0.118 nan 8.280 nan 0.000 0.507 1422 L N 0.076 121.299 121.223 -0.001 0.000 2.046 1422 L HA -0.218 4.101 4.340 -0.037 0.000 0.208 1422 L C 2.564 179.405 176.870 -0.048 0.000 1.077 1422 L CA 1.918 56.710 54.840 -0.081 0.000 0.747 1422 L CB -0.742 41.324 42.059 0.011 0.000 0.896 1422 L HN 0.278 nan 8.230 nan 0.000 0.432 1423 E N -0.252 119.987 120.200 0.064 0.000 2.097 1423 E HA -0.305 4.023 4.350 -0.037 0.000 0.196 1423 E C 2.201 178.804 176.600 0.005 0.000 1.000 1423 E CA 1.762 58.234 56.400 0.119 0.000 0.804 1423 E CB -0.179 29.701 29.700 0.301 0.000 0.740 1423 E HN 0.470 nan 8.360 nan 0.000 0.454 1424 Y N 0.687 120.845 120.300 -0.237 0.000 2.163 1424 Y HA -0.197 4.331 4.550 -0.037 0.000 0.288 1424 Y C 2.215 177.902 175.900 -0.356 0.000 1.136 1424 Y CA 1.838 59.592 58.100 -0.577 0.000 1.147 1424 Y CB -0.218 37.852 38.460 -0.650 0.000 0.987 1424 Y HN 0.064 nan 8.280 nan 0.000 0.509 1425 V N -0.789 118.966 119.914 -0.266 0.000 2.667 1425 V HA -0.173 3.925 4.120 -0.037 0.000 0.252 1425 V C 2.213 178.298 176.094 -0.015 0.000 1.065 1425 V CA 2.052 64.235 62.300 -0.195 0.000 1.083 1425 V CB -0.919 30.613 31.823 -0.484 0.000 0.692 1425 V HN 0.387 nan 8.190 nan 0.000 0.468 1426 K N 1.188 121.544 120.400 -0.073 0.000 2.057 1426 K HA -0.253 4.045 4.320 -0.037 0.000 0.207 1426 K C 2.387 178.946 176.600 -0.068 0.000 1.049 1426 K CA 2.064 58.337 56.287 -0.023 0.000 0.931 1426 K CB -0.296 32.197 32.500 -0.011 0.000 0.714 1426 K HN 0.563 nan 8.250 nan 0.000 0.440 1427 K N 0.765 121.072 120.400 -0.155 0.000 2.103 1427 K HA -0.117 4.181 4.320 -0.037 0.000 0.207 1427 K C 2.019 178.494 176.600 -0.209 0.000 1.048 1427 K CA 1.267 57.438 56.287 -0.193 0.000 0.930 1427 K CB -0.050 32.271 32.500 -0.299 0.000 0.716 1427 K HN 0.211 nan 8.250 nan 0.000 0.444 1428 L N -0.835 120.241 121.223 -0.246 0.000 2.291 1428 L HA 0.003 4.321 4.340 -0.037 0.000 0.214 1428 L C 1.294 178.073 176.870 -0.152 0.000 1.120 1428 L CA 0.961 55.694 54.840 -0.179 0.000 0.799 1428 L CB -0.052 41.954 42.059 -0.087 0.000 0.925 1428 L HN 0.666 nan 8.230 nan 0.000 0.446 1429 G N -1.856 106.880 108.800 -0.107 0.000 2.159 1429 G HA2 -0.232 3.706 3.960 -0.037 0.000 0.170 1429 G HA3 -0.232 3.706 3.960 -0.037 0.000 0.170 1429 G C -0.185 174.623 174.900 -0.154 0.000 1.007 1429 G CA -0.741 44.278 45.100 -0.134 0.000 0.672 1429 G HN 0.162 nan 8.290 nan 0.000 0.507 1430 Y N 1.435 121.712 120.300 -0.039 0.000 2.377 1430 Y HA 0.376 4.905 4.550 -0.036 0.000 0.330 1430 Y C 2.146 178.049 175.900 0.006 0.000 1.108 1430 Y CA 0.899 59.003 58.100 0.006 0.000 1.308 1430 Y CB 1.308 39.776 38.460 0.012 0.000 1.216 1430 Y HN 0.203 nan 8.280 nan 0.000 0.518 1431 T N -2.478 112.173 114.554 0.161 0.000 3.044 1431 T HA 0.133 4.461 4.350 -0.037 0.000 0.255 1431 T C 0.377 175.140 174.700 0.104 0.000 1.073 1431 T CA 0.415 62.572 62.100 0.096 0.000 1.125 1431 T CB 0.037 68.940 68.868 0.058 0.000 0.908 1431 T HN 0.527 nan 8.240 nan 0.000 0.480 1432 T N 0.774 115.422 114.554 0.156 0.000 2.952 1432 T HA 0.657 4.985 4.350 -0.037 0.000 0.305 1432 T C -0.321 174.454 174.700 0.125 0.000 1.064 1432 T CA -0.757 61.407 62.100 0.106 0.000 1.008 1432 T CB 1.857 70.807 68.868 0.136 0.000 1.078 1432 T HN 0.417 nan 8.240 nan 0.000 0.459 1433 G N 0.914 109.714 108.800 0.001 0.000 2.420 1433 G HA2 0.665 4.603 3.960 -0.037 0.000 0.331 1433 G HA3 0.665 4.603 3.960 -0.037 0.000 0.331 1433 G C -1.567 173.258 174.900 -0.125 0.000 1.168 1433 G CA -0.518 44.607 45.100 0.042 0.000 0.936 1433 G HN 0.727 nan 8.290 nan 0.000 0.479 1434 H N -0.174 118.986 119.070 0.151 0.000 2.689 1434 H HA 0.522 5.057 4.556 -0.036 0.000 0.346 1434 H C -0.437 175.003 175.328 0.186 0.000 1.037 1434 H CA -0.422 55.778 56.048 0.253 0.000 1.234 1434 H CB 2.030 32.025 29.762 0.387 0.000 1.572 1434 H HN 0.329 nan 8.280 nan 0.000 0.524 1435 I N 1.919 122.667 120.570 0.297 0.000 2.466 1435 I HA 0.096 4.244 4.170 -0.037 0.000 0.289 1435 I C -1.065 175.252 176.117 0.334 0.000 1.026 1435 I CA -0.820 60.540 61.300 0.100 0.000 1.078 1435 I CB 1.868 39.703 38.000 -0.275 0.000 1.249 1435 I HN 0.507 nan 8.210 nan 0.000 0.429 1436 W N 7.203 128.536 121.300 0.054 0.000 2.317 1436 W HA 0.585 5.223 4.660 -0.036 0.000 0.327 1436 W C -0.267 176.137 176.519 -0.191 0.000 1.036 1436 W CA -1.679 55.629 57.345 -0.063 0.000 1.419 1436 W CB 0.988 30.523 29.460 0.124 0.000 1.253 1436 W HN 0.523 nan 8.180 nan 0.000 0.392 1437 A N 5.825 128.690 122.820 0.074 0.000 2.990 1437 A HA 0.379 4.677 4.320 -0.037 0.000 0.282 1437 A C -0.474 177.090 177.584 -0.033 0.000 1.688 1437 A CA -0.145 51.934 52.037 0.070 0.000 1.391 1437 A CB -0.561 18.617 19.000 0.296 0.000 1.112 1437 A HN 0.564 nan 8.150 nan 0.000 0.588 1438 C N 5.068 124.218 119.300 -0.251 0.000 2.316 1438 C HA 0.686 5.124 4.460 -0.037 0.000 0.324 1438 C C -2.514 172.380 174.990 -0.159 0.000 1.226 1438 C CA -2.122 56.701 59.018 -0.324 0.000 1.450 1438 C CB 0.708 27.929 27.740 -0.865 0.000 2.123 1438 C HN 0.689 nan 8.230 nan 0.000 0.454 1439 P HA 0.325 nan 4.420 nan 0.000 0.272 1439 P C -2.576 174.573 177.300 -0.252 0.000 1.230 1439 P CA -1.044 61.944 63.100 -0.186 0.000 0.788 1439 P CB -0.052 31.535 31.700 -0.188 0.000 0.949 1440 P HA 0.059 nan 4.420 nan 0.000 0.269 1440 P C -0.194 176.925 177.300 -0.301 0.000 1.215 1440 P CA 0.125 62.854 63.100 -0.618 0.000 0.780 1440 P CB 0.350 31.447 31.700 -1.004 0.000 0.898 1441 S N 0.596 116.189 115.700 -0.178 0.000 2.600 1441 S HA 0.050 4.498 4.470 -0.037 0.000 0.265 1441 S C 0.130 174.650 174.600 -0.133 0.000 1.325 1441 S CA -0.536 57.596 58.200 -0.114 0.000 1.002 1441 S CB -0.115 63.054 63.200 -0.052 0.000 0.921 1441 S HN 0.384 nan 8.310 nan 0.000 0.554 1442 E N 0.700 120.841 120.200 -0.098 0.000 2.729 1442 E HA 0.206 4.534 4.350 -0.037 0.000 0.246 1442 E C 1.174 177.719 176.600 -0.091 0.000 0.984 1442 E CA 0.688 57.031 56.400 -0.095 0.000 0.951 1442 E CB -0.200 29.462 29.700 -0.063 0.000 0.914 1442 E HN 0.945 nan 8.360 nan 0.000 0.509 1443 G N 3.398 112.130 108.800 -0.113 0.000 2.179 1443 G HA2 -0.298 3.640 3.960 -0.037 0.000 0.260 1443 G HA3 -0.298 3.640 3.960 -0.037 0.000 0.260 1443 G C -0.011 174.832 174.900 -0.094 0.000 0.977 1443 G CA 0.315 45.360 45.100 -0.092 0.000 0.641 1443 G HN 0.619 nan 8.290 nan 0.000 0.533 1444 D N 0.838 121.160 120.400 -0.131 0.000 2.225 1444 D HA 0.531 5.150 4.640 -0.037 0.000 0.249 1444 D C -0.600 175.584 176.300 -0.194 0.000 1.052 1444 D CA -0.470 53.461 54.000 -0.116 0.000 0.909 1444 D CB 0.756 41.499 40.800 -0.096 0.000 1.186 1444 D HN 0.080 nan 8.370 nan 0.000 0.431 1445 D N 2.813 123.155 120.400 -0.097 0.000 2.391 1445 D HA 0.087 4.705 4.640 -0.037 0.000 0.245 1445 D C 0.340 176.649 176.300 0.015 0.000 1.069 1445 D CA -0.393 53.566 54.000 -0.068 0.000 0.831 1445 D CB 1.133 41.998 40.800 0.109 0.000 1.204 1445 D HN 0.415 nan 8.370 nan 0.000 0.503 1446 Y N 0.823 121.060 120.300 -0.105 0.000 2.176 1446 Y HA 0.069 4.597 4.550 -0.037 0.000 0.291 1446 Y C 2.036 177.763 175.900 -0.287 0.000 1.122 1446 Y CA 0.730 58.709 58.100 -0.201 0.000 1.128 1446 Y CB 0.090 38.487 38.460 -0.105 0.000 1.005 1446 Y HN 0.375 nan 8.280 nan 0.000 0.509 1447 I N -3.443 117.104 120.570 -0.038 0.000 4.046 1447 I HA 0.030 4.178 4.170 -0.037 0.000 0.285 1447 I C -0.647 175.228 176.117 -0.404 0.000 1.183 1447 I CA 0.040 61.177 61.300 -0.272 0.000 1.337 1447 I CB 0.441 38.154 38.000 -0.478 0.000 1.478 1447 I HN -0.272 nan 8.210 nan 0.000 0.452 1448 F N 1.404 121.294 119.950 -0.100 0.000 2.405 1448 F HA 0.286 4.791 4.527 -0.035 0.000 0.355 1448 F C 0.499 176.230 175.800 -0.114 0.000 1.121 1448 F CA -0.652 57.118 58.000 -0.384 0.000 1.112 1448 F CB 0.060 38.596 39.000 -0.774 0.000 1.126 1448 F HN -0.004 nan 8.300 nan 0.000 0.481 1449 H N 2.852 121.947 119.070 0.041 0.000 2.929 1449 H HA 0.148 4.682 4.556 -0.036 0.000 0.317 1449 H C 0.116 175.586 175.328 0.237 0.000 1.031 1449 H CA -0.231 55.884 56.048 0.112 0.000 1.466 1449 H CB 0.214 29.990 29.762 0.023 0.000 1.482 1449 H HN 0.905 nan 8.280 nan 0.000 0.561 1450 C N 5.785 124.899 119.300 -0.311 0.000 3.234 1450 C HA -0.187 4.251 4.460 -0.037 0.000 0.291 1450 C C -0.135 174.875 174.990 0.034 0.000 1.089 1450 C CA 0.014 58.881 59.018 -0.252 0.000 2.493 1450 C CB -2.826 24.642 27.740 -0.455 0.000 1.512 1450 C HN 0.995 nan 8.230 nan 0.000 0.495 1451 H N 3.868 122.918 119.070 -0.033 0.000 2.745 1451 H HA 0.363 4.897 4.556 -0.037 0.000 0.373 1451 H C -1.764 173.547 175.328 -0.029 0.000 1.226 1451 H CA -0.309 55.728 56.048 -0.018 0.000 1.435 1451 H CB 0.311 30.010 29.762 -0.105 0.000 1.461 1451 H HN 0.390 nan 8.280 nan 0.000 0.616 1452 P HA -0.015 nan 4.420 nan 0.000 0.268 1452 P C -1.995 175.297 177.300 -0.012 0.000 1.204 1452 P CA -0.929 62.200 63.100 0.049 0.000 0.768 1452 P CB 0.458 32.126 31.700 -0.053 0.000 0.842 1453 P HA -0.177 nan 4.420 nan 0.000 0.219 1453 P C 0.610 177.902 177.300 -0.013 0.000 1.146 1453 P CA 1.518 64.618 63.100 -0.000 0.000 0.808 1453 P CB -0.085 31.626 31.700 0.018 0.000 0.779 1454 D N -2.016 118.388 120.400 0.007 0.000 2.363 1454 D HA -0.028 4.590 4.640 -0.037 0.000 0.214 1454 D C 0.538 176.841 176.300 0.004 0.000 1.093 1454 D CA -0.040 53.978 54.000 0.029 0.000 0.837 1454 D CB -0.878 39.974 40.800 0.087 0.000 0.948 1454 D HN 0.164 nan 8.370 nan 0.000 0.507 1455 Q N 1.542 121.226 119.800 -0.192 0.000 2.344 1455 Q HA 0.101 4.419 4.340 -0.037 0.000 0.253 1455 Q C -0.440 175.461 176.000 -0.165 0.000 1.050 1455 Q CA -0.375 55.221 55.803 -0.346 0.000 0.912 1455 Q CB 0.494 28.835 28.738 -0.662 0.000 1.258 1455 Q HN 0.016 nan 8.270 nan 0.000 0.443 1456 K N 3.666 124.016 120.400 -0.083 0.000 2.382 1456 K HA 0.160 4.458 4.320 -0.037 0.000 0.275 1456 K C -0.434 176.086 176.600 -0.133 0.000 1.009 1456 K CA -0.012 56.222 56.287 -0.087 0.000 0.970 1456 K CB 0.683 33.155 32.500 -0.047 0.000 0.934 1456 K HN 0.547 nan 8.250 nan 0.000 0.479 1457 I N 5.099 125.575 120.570 -0.157 0.000 2.331 1457 I HA 0.156 4.304 4.170 -0.037 0.000 0.292 1457 I C -1.732 174.288 176.117 -0.163 0.000 0.998 1457 I CA -2.146 59.032 61.300 -0.204 0.000 1.267 1457 I CB 0.896 38.749 38.000 -0.245 0.000 1.386 1457 I HN 0.455 nan 8.210 nan 0.000 0.476 1458 P HA 0.132 nan 4.420 nan 0.000 0.269 1458 P C -0.695 176.540 177.300 -0.107 0.000 1.209 1458 P CA -0.418 62.602 63.100 -0.133 0.000 0.776 1458 P CB 0.607 32.201 31.700 -0.177 0.000 0.876 1459 K N 3.099 123.462 120.400 -0.062 0.000 2.138 1459 K HA 0.159 4.457 4.320 -0.037 0.000 0.251 1459 K C -1.578 175.013 176.600 -0.015 0.000 1.015 1459 K CA -1.884 54.379 56.287 -0.040 0.000 0.917 1459 K CB -0.594 31.894 32.500 -0.019 0.000 1.021 1459 K HN 0.184 nan 8.250 nan 0.000 0.485 1460 P HA -0.242 nan 4.420 nan 0.000 0.215 1460 P C 1.144 178.490 177.300 0.076 0.000 1.163 1460 P CA 1.789 64.910 63.100 0.035 0.000 0.894 1460 P CB 0.253 31.972 31.700 0.032 0.000 0.791 1461 K N 0.077 120.517 120.400 0.067 0.000 2.032 1461 K HA -0.170 4.128 4.320 -0.037 0.000 0.209 1461 K C 2.242 178.910 176.600 0.114 0.000 1.048 1461 K CA 1.634 57.976 56.287 0.092 0.000 0.927 1461 K CB -0.778 31.763 32.500 0.069 0.000 0.712 1461 K HN -0.139 nan 8.250 nan 0.000 0.441 1462 R N -0.188 120.360 120.500 0.080 0.000 2.081 1462 R HA -0.121 4.197 4.340 -0.037 0.000 0.235 1462 R C 2.175 178.548 176.300 0.121 0.000 1.131 1462 R CA 1.566 57.718 56.100 0.087 0.000 0.960 1462 R CB -0.431 29.890 30.300 0.035 0.000 0.856 1462 R HN 0.278 nan 8.270 nan 0.000 0.436 1463 L N 1.342 122.615 121.223 0.083 0.000 2.056 1463 L HA -0.139 4.179 4.340 -0.037 0.000 0.207 1463 L C 2.068 179.128 176.870 0.317 0.000 1.078 1463 L CA 1.730 56.625 54.840 0.093 0.000 0.749 1463 L CB -0.401 41.678 42.059 0.035 0.000 0.901 1463 L HN 0.232 nan 8.230 nan 0.000 0.433 1464 Q N -0.504 119.501 119.800 0.342 0.000 2.061 1464 Q HA -0.243 4.075 4.340 -0.037 0.000 0.204 1464 Q C 2.105 178.365 176.000 0.433 0.000 0.984 1464 Q CA 2.179 58.281 55.803 0.499 0.000 0.846 1464 Q CB -0.224 28.753 28.738 0.398 0.000 0.902 1464 Q HN 0.610 nan 8.270 nan 0.000 0.421 1465 E N -0.334 120.049 120.200 0.304 0.000 2.110 1465 E HA -0.212 4.116 4.350 -0.037 0.000 0.193 1465 E C 1.530 178.266 176.600 0.226 0.000 0.988 1465 E CA 0.846 57.392 56.400 0.243 0.000 0.804 1465 E CB -0.183 29.631 29.700 0.189 0.000 0.745 1465 E HN 0.421 nan 8.360 nan 0.000 0.458 1466 W N 0.416 121.729 121.300 0.022 0.000 2.355 1466 W HA -0.245 4.393 4.660 -0.037 0.000 0.309 1466 W C 1.629 178.032 176.519 -0.194 0.000 1.206 1466 W CA 1.512 58.829 57.345 -0.046 0.000 1.284 1466 W CB -0.302 29.086 29.460 -0.121 0.000 1.145 1466 W HN 0.060 nan 8.180 nan 0.000 0.502 1467 Y N 0.795 121.146 120.300 0.085 0.000 2.200 1467 Y HA -0.185 4.345 4.550 -0.034 0.000 0.290 1467 Y C 2.414 177.993 175.900 -0.535 0.000 1.137 1467 Y CA 2.136 60.001 58.100 -0.393 0.000 1.163 1467 Y CB -0.864 37.156 38.460 -0.734 0.000 0.988 1467 Y HN -0.081 nan 8.280 nan 0.000 0.518 1468 K N 0.201 120.543 120.400 -0.096 0.000 2.097 1468 K HA -0.229 4.069 4.320 -0.037 0.000 0.206 1468 K C 2.133 178.668 176.600 -0.108 0.000 1.049 1468 K CA 1.576 57.840 56.287 -0.039 0.000 0.933 1468 K CB -0.162 32.486 32.500 0.246 0.000 0.717 1468 K HN 0.226 nan 8.250 nan 0.000 0.442 1469 K N 1.035 121.354 120.400 -0.134 0.000 2.026 1469 K HA -0.137 4.161 4.320 -0.037 0.000 0.208 1469 K C 2.284 178.664 176.600 -0.366 0.000 1.048 1469 K CA 1.128 57.321 56.287 -0.157 0.000 0.929 1469 K CB -0.025 32.437 32.500 -0.063 0.000 0.713 1469 K HN 0.037 nan 8.250 nan 0.000 0.439 1470 M N 1.214 120.334 119.600 -0.799 0.000 2.080 1470 M HA -0.166 4.292 4.480 -0.037 0.000 0.260 1470 M C 1.911 177.911 176.300 -0.500 0.000 1.068 1470 M CA 1.629 56.325 55.300 -1.007 0.000 1.109 1470 M CB -0.428 31.364 32.600 -1.346 0.000 1.342 1470 M HN 0.267 nan 8.290 nan 0.000 0.405 1471 L N -0.084 120.865 121.223 -0.457 0.000 2.093 1471 L HA -0.216 4.102 4.340 -0.037 0.000 0.208 1471 L C 2.002 178.794 176.870 -0.130 0.000 1.085 1471 L CA 0.969 55.582 54.840 -0.378 0.000 0.755 1471 L CB -0.877 40.677 42.059 -0.843 0.000 0.904 1471 L HN 0.230 nan 8.230 nan 0.000 0.435 1472 D N 0.202 120.568 120.400 -0.056 0.000 2.144 1472 D HA -0.209 4.409 4.640 -0.037 0.000 0.199 1472 D C 2.082 178.382 176.300 -0.000 0.000 0.984 1472 D CA 1.140 55.176 54.000 0.060 0.000 0.834 1472 D CB -0.015 40.828 40.800 0.072 0.000 0.955 1472 D HN 0.228 nan 8.370 nan 0.000 0.465 1473 K N 0.640 121.000 120.400 -0.067 0.000 2.026 1473 K HA -0.088 4.210 4.320 -0.037 0.000 0.208 1473 K C 2.017 178.590 176.600 -0.044 0.000 1.048 1473 K CA 1.309 57.561 56.287 -0.059 0.000 0.929 1473 K CB -0.062 32.380 32.500 -0.096 0.000 0.713 1473 K HN 0.024 nan 8.250 nan 0.000 0.439 1474 A N 0.559 123.337 122.820 -0.069 0.000 1.933 1474 A HA -0.115 4.183 4.320 -0.037 0.000 0.218 1474 A C 2.222 179.812 177.584 0.010 0.000 1.175 1474 A CA 1.678 53.695 52.037 -0.034 0.000 0.628 1474 A CB -0.635 18.333 19.000 -0.053 0.000 0.814 1474 A HN 0.186 nan 8.150 nan 0.000 0.444 1475 V N 0.948 120.881 119.914 0.030 0.000 2.343 1475 V HA -0.249 3.849 4.120 -0.037 0.000 0.247 1475 V C 3.013 179.120 176.094 0.022 0.000 1.051 1475 V CA 2.374 64.701 62.300 0.045 0.000 1.036 1475 V CB -0.942 30.930 31.823 0.082 0.000 0.654 1475 V HN 0.833 nan 8.190 nan 0.000 0.451 1476 S N 0.313 116.024 115.700 0.018 0.000 2.399 1476 S HA -0.222 4.227 4.470 -0.037 0.000 0.231 1476 S C 1.626 176.236 174.600 0.015 0.000 1.022 1476 S CA 1.582 59.790 58.200 0.013 0.000 0.983 1476 S CB -0.497 62.711 63.200 0.013 0.000 0.803 1476 S HN 0.749 nan 8.310 nan 0.000 0.480 1477 E N 0.625 120.835 120.200 0.016 0.000 2.502 1477 E HA 0.141 4.469 4.350 -0.037 0.000 0.194 1477 E C -0.155 176.464 176.600 0.031 0.000 1.062 1477 E CA -0.237 56.177 56.400 0.023 0.000 0.867 1477 E CB 0.050 29.762 29.700 0.020 0.000 0.888 1477 E HN 0.216 nan 8.360 nan 0.000 0.510 1478 R N -0.740 119.778 120.500 0.030 0.000 3.651 1478 R HA -0.218 4.100 4.340 -0.037 0.000 0.292 1478 R C 0.672 177.004 176.300 0.053 0.000 1.161 1478 R CA 0.570 56.694 56.100 0.039 0.000 0.787 1478 R CB -2.992 27.331 30.300 0.038 0.000 1.249 1478 R HN 0.368 nan 8.270 nan 0.000 0.476 1479 I N -0.683 119.918 120.570 0.051 0.000 2.385 1479 I HA -0.038 4.110 4.170 -0.037 0.000 0.244 1479 I C 0.937 177.094 176.117 0.067 0.000 1.089 1479 I CA 0.728 62.062 61.300 0.057 0.000 1.410 1479 I CB 0.215 38.245 38.000 0.050 0.000 1.117 1479 I HN -0.134 nan 8.210 nan 0.000 0.429 1480 V N 1.752 121.707 119.914 0.068 0.000 2.509 1480 V HA 0.032 4.130 4.120 -0.037 0.000 0.284 1480 V C 1.199 177.370 176.094 0.127 0.000 1.047 1480 V CA -0.187 62.174 62.300 0.103 0.000 0.952 1480 V CB 1.223 33.105 31.823 0.098 0.000 0.988 1480 V HN 0.310 nan 8.190 nan 0.000 0.469 1481 H N 3.609 122.716 119.070 0.062 0.000 2.317 1481 H HA 0.026 4.560 4.556 -0.036 0.000 0.304 1481 H C 0.189 175.552 175.328 0.058 0.000 1.067 1481 H CA 1.859 57.937 56.048 0.049 0.000 1.352 1481 H CB 0.785 30.568 29.762 0.035 0.000 1.398 1481 H HN 0.926 nan 8.280 nan 0.000 0.510 1482 D N -1.841 118.665 120.400 0.177 0.000 2.725 1482 D HA 0.163 4.781 4.640 -0.037 0.000 0.292 1482 D C -1.382 175.056 176.300 0.229 0.000 1.288 1482 D CA -0.704 53.359 54.000 0.105 0.000 0.784 1482 D CB 0.587 41.395 40.800 0.012 0.000 1.308 1482 D HN 0.283 nan 8.370 nan 0.000 0.429 1483 Y N -2.561 117.788 120.300 0.082 0.000 2.597 1483 Y HA 0.826 5.354 4.550 -0.036 0.000 0.340 1483 Y C -1.177 174.783 175.900 0.101 0.000 1.097 1483 Y CA -1.029 57.135 58.100 0.106 0.000 1.037 1483 Y CB 1.893 40.446 38.460 0.154 0.000 1.305 1483 Y HN 0.433 nan 8.280 nan 0.000 0.463 1484 K N 1.294 121.825 120.400 0.218 0.000 2.508 1484 K HA 0.288 4.586 4.320 -0.037 0.000 0.260 1484 K C -1.716 174.950 176.600 0.110 0.000 0.949 1484 K CA -1.020 55.319 56.287 0.087 0.000 0.834 1484 K CB 2.464 34.984 32.500 0.033 0.000 1.365 1484 K HN 0.926 nan 8.250 nan 0.000 0.437 1485 D N 0.268 120.694 120.400 0.043 0.000 2.360 1485 D HA 0.007 4.625 4.640 -0.037 0.000 0.242 1485 D C 0.949 177.288 176.300 0.064 0.000 1.184 1485 D CA -0.473 53.535 54.000 0.012 0.000 0.930 1485 D CB 0.689 41.497 40.800 0.013 0.000 1.161 1485 D HN 0.428 nan 8.370 nan 0.000 0.447 1486 I N 0.330 120.957 120.570 0.095 0.000 2.286 1486 I HA -0.111 4.037 4.170 -0.037 0.000 0.248 1486 I C 1.612 177.711 176.117 -0.030 0.000 1.115 1486 I CA 1.186 62.486 61.300 -0.001 0.000 1.392 1486 I CB -0.350 37.598 38.000 -0.087 0.000 1.065 1486 I HN 0.594 nan 8.210 nan 0.000 0.418 1487 F N 1.261 121.175 119.950 -0.060 0.000 2.128 1487 F HA -0.148 4.357 4.527 -0.037 0.000 0.295 1487 F C 2.449 178.255 175.800 0.009 0.000 1.100 1487 F CA 1.981 59.963 58.000 -0.030 0.000 1.260 1487 F CB -0.460 38.563 39.000 0.038 0.000 1.009 1487 F HN -0.051 nan 8.300 nan 0.000 0.476 1488 K N -0.087 120.309 120.400 -0.008 0.000 2.057 1488 K HA -0.266 4.032 4.320 -0.037 0.000 0.207 1488 K C 2.243 178.768 176.600 -0.126 0.000 1.049 1488 K CA 1.621 57.851 56.287 -0.095 0.000 0.931 1488 K CB -0.283 32.227 32.500 0.016 0.000 0.714 1488 K HN 0.275 nan 8.250 nan 0.000 0.440 1489 Q N 0.601 120.351 119.800 -0.083 0.000 2.030 1489 Q HA -0.146 4.172 4.340 -0.037 0.000 0.204 1489 Q C 1.760 177.681 176.000 -0.133 0.000 0.986 1489 Q CA 2.329 58.081 55.803 -0.085 0.000 0.843 1489 Q CB -0.450 28.252 28.738 -0.059 0.000 0.904 1489 Q HN 0.401 nan 8.270 nan 0.000 0.420 1490 A N -0.942 121.759 122.820 -0.199 0.000 1.933 1490 A HA -0.169 4.129 4.320 -0.037 0.000 0.218 1490 A C 2.287 179.807 177.584 -0.108 0.000 1.175 1490 A CA 1.943 53.846 52.037 -0.223 0.000 0.628 1490 A CB -0.993 17.753 19.000 -0.423 0.000 0.814 1490 A HN 0.514 nan 8.150 nan 0.000 0.444 1491 T N 0.178 114.627 114.554 -0.175 0.000 2.708 1491 T HA -0.124 4.204 4.350 -0.037 0.000 0.266 1491 T C 1.773 176.405 174.700 -0.114 0.000 1.037 1491 T CA 1.476 63.475 62.100 -0.169 0.000 1.146 1491 T CB -0.263 68.385 68.868 -0.368 0.000 0.865 1491 T HN 0.570 nan 8.240 nan 0.000 0.435 1492 E N 1.276 121.411 120.200 -0.109 0.000 2.110 1492 E HA -0.137 4.191 4.350 -0.037 0.000 0.193 1492 E C 1.788 178.353 176.600 -0.058 0.000 0.988 1492 E CA 1.018 57.374 56.400 -0.072 0.000 0.804 1492 E CB -0.269 29.395 29.700 -0.059 0.000 0.745 1492 E HN 0.453 nan 8.360 nan 0.000 0.458 1493 D N 0.357 120.719 120.400 -0.064 0.000 2.348 1493 D HA -0.046 4.572 4.640 -0.037 0.000 0.216 1493 D C 0.164 176.437 176.300 -0.046 0.000 0.970 1493 D CA 0.277 54.242 54.000 -0.057 0.000 0.889 1493 D CB -0.061 40.695 40.800 -0.074 0.000 0.912 1493 D HN 0.072 nan 8.370 nan 0.000 0.524 1494 R N -0.352 120.127 120.500 -0.036 0.000 3.336 1494 R HA -0.202 4.116 4.340 -0.037 0.000 0.260 1494 R C -0.218 176.088 176.300 0.010 0.000 1.032 1494 R CA -0.084 56.007 56.100 -0.015 0.000 0.693 1494 R CB -2.200 28.082 30.300 -0.030 0.000 1.134 1494 R HN 0.197 nan 8.270 nan 0.000 0.433 1495 L N -0.946 120.291 121.223 0.025 0.000 2.453 1495 L HA 0.225 4.543 4.340 -0.037 0.000 0.272 1495 L C 1.296 178.220 176.870 0.089 0.000 1.182 1495 L CA 1.327 56.161 54.840 -0.010 0.000 0.858 1495 L CB 1.210 43.190 42.059 -0.132 0.000 1.120 1495 L HN 0.295 nan 8.230 nan 0.000 0.474 1496 T N -0.840 113.734 114.554 0.033 0.000 3.004 1496 T HA 0.330 4.658 4.350 -0.037 0.000 0.266 1496 T C 0.570 175.299 174.700 0.048 0.000 0.986 1496 T CA 0.336 62.479 62.100 0.070 0.000 0.902 1496 T CB -0.284 68.606 68.868 0.036 0.000 1.118 1496 T HN 0.773 nan 8.240 nan 0.000 0.522 1497 S N -0.370 115.313 115.700 -0.029 0.000 2.540 1497 S HA 0.702 5.150 4.470 -0.037 0.000 0.275 1497 S C 1.160 175.633 174.600 -0.211 0.000 1.123 1497 S CA -0.054 58.105 58.200 -0.067 0.000 0.907 1497 S CB 1.424 64.574 63.200 -0.083 0.000 1.081 1497 S HN 0.366 nan 8.310 nan 0.000 0.476 1498 A N 4.186 126.878 122.820 -0.213 0.000 2.024 1498 A HA -0.089 4.209 4.320 -0.037 0.000 0.220 1498 A C 1.919 179.217 177.584 -0.477 0.000 1.164 1498 A CA 1.896 53.766 52.037 -0.279 0.000 0.643 1498 A CB -0.722 18.236 19.000 -0.070 0.000 0.806 1498 A HN 0.932 nan 8.150 nan 0.000 0.451 1499 K N 0.044 119.917 120.400 -0.878 0.000 2.360 1499 K HA -0.146 4.152 4.320 -0.037 0.000 0.201 1499 K C 1.067 177.424 176.600 -0.405 0.000 1.046 1499 K CA 1.663 57.490 56.287 -0.766 0.000 0.945 1499 K CB -0.242 31.661 32.500 -0.994 0.000 0.750 1499 K HN 0.599 nan 8.250 nan 0.000 0.464 1500 E N 0.567 120.556 120.200 -0.351 0.000 2.442 1500 E HA 0.011 4.339 4.350 -0.037 0.000 0.195 1500 E C -0.097 176.318 176.600 -0.307 0.000 1.030 1500 E CA -0.247 55.990 56.400 -0.271 0.000 0.869 1500 E CB 0.167 29.738 29.700 -0.216 0.000 0.857 1500 E HN 0.146 nan 8.360 nan 0.000 0.505 1501 L N 2.276 123.282 121.223 -0.362 0.000 2.331 1501 L HA 0.217 4.535 4.340 -0.037 0.000 0.278 1501 L C -2.463 174.094 176.870 -0.522 0.000 1.106 1501 L CA -2.172 52.404 54.840 -0.440 0.000 0.824 1501 L CB 0.486 42.252 42.059 -0.488 0.000 1.142 1501 L HN -0.259 nan 8.230 nan 0.000 0.443 1502 P HA -0.050 nan 4.420 nan 0.000 0.264 1502 P C -1.774 174.762 177.300 -1.273 0.000 1.183 1502 P CA 0.511 62.992 63.100 -1.031 0.000 0.763 1502 P CB 0.029 31.018 31.700 -1.184 0.000 0.807 1503 Y N 4.136 123.559 120.300 -1.461 0.000 2.575 1503 Y HA 0.442 4.970 4.550 -0.036 0.000 0.326 1503 Y C -0.989 174.345 175.900 -0.942 0.000 0.979 1503 Y CA -0.726 56.762 58.100 -1.020 0.000 1.286 1503 Y CB 0.138 38.161 38.460 -0.728 0.000 1.093 1503 Y HN 0.173 nan 8.280 nan 0.000 0.501 1504 F N 2.167 121.776 119.950 -0.569 0.000 2.458 1504 F HA 0.331 4.836 4.527 -0.036 0.000 0.330 1504 F C 0.307 175.917 175.800 -0.317 0.000 1.082 1504 F CA -1.637 56.042 58.000 -0.534 0.000 0.995 1504 F CB 1.028 39.417 39.000 -1.018 0.000 1.170 1504 F HN 0.349 nan 8.300 nan 0.000 0.478 1505 E N 0.782 121.019 120.200 0.062 0.000 2.417 1505 E HA 0.363 4.691 4.350 -0.037 0.000 0.261 1505 E C 1.057 177.721 176.600 0.108 0.000 1.000 1505 E CA 1.091 57.557 56.400 0.111 0.000 0.919 1505 E CB 0.124 29.925 29.700 0.168 0.000 0.955 1505 E HN 0.778 nan 8.360 nan 0.000 0.455 1506 G N 3.776 112.640 108.800 0.106 0.000 2.184 1506 G HA2 -0.352 3.586 3.960 -0.037 0.000 0.264 1506 G HA3 -0.352 3.586 3.960 -0.037 0.000 0.264 1506 G C 0.259 175.286 174.900 0.212 0.000 0.975 1506 G CA 0.361 45.551 45.100 0.150 0.000 0.642 1506 G HN 0.696 nan 8.290 nan 0.000 0.536 1507 D N -1.547 118.906 120.400 0.090 0.000 2.358 1507 D HA 0.473 5.091 4.640 -0.037 0.000 0.244 1507 D C 1.315 177.513 176.300 -0.170 0.000 1.163 1507 D CA -0.415 53.644 54.000 0.099 0.000 0.945 1507 D CB 0.131 40.870 40.800 -0.101 0.000 1.152 1507 D HN -0.001 nan 8.370 nan 0.000 0.451 1508 F N 0.870 120.325 119.950 -0.826 0.000 2.126 1508 F HA -0.068 4.438 4.527 -0.036 0.000 0.299 1508 F C 1.298 176.527 175.800 -0.951 0.000 1.096 1508 F CA 1.394 58.701 58.000 -1.155 0.000 1.255 1508 F CB -0.152 37.717 39.000 -1.885 0.000 0.997 1508 F HN 0.513 nan 8.300 nan 0.000 0.479 1509 W N 0.614 121.572 121.300 -0.570 0.000 2.381 1509 W HA -0.046 4.592 4.660 -0.038 0.000 0.301 1509 W C -0.377 175.781 176.519 -0.601 0.000 1.205 1509 W CA 0.988 57.965 57.345 -0.613 0.000 1.285 1509 W CB -2.163 26.953 29.460 -0.572 0.000 1.133 1509 W HN 0.016 nan 8.180 nan 0.000 0.521 1510 P HA -0.188 nan 4.420 nan 0.000 0.215 1510 P C 1.054 178.162 177.300 -0.319 0.000 1.153 1510 P CA 1.771 64.527 63.100 -0.574 0.000 0.853 1510 P CB -0.085 31.094 31.700 -0.869 0.000 0.788 1511 N N -0.773 117.706 118.700 -0.369 0.000 2.142 1511 N HA -0.088 4.630 4.740 -0.037 0.000 0.186 1511 N C 1.810 177.090 175.510 -0.384 0.000 1.023 1511 N CA 0.736 53.596 53.050 -0.316 0.000 0.852 1511 N CB -1.220 37.083 38.487 -0.306 0.000 0.998 1511 N HN 0.005 nan 8.380 nan 0.000 0.424 1512 V N 1.050 120.589 119.914 -0.625 0.000 2.667 1512 V HA -0.095 4.004 4.120 -0.037 0.000 0.252 1512 V C 1.957 177.905 176.094 -0.244 0.000 1.065 1512 V CA 0.862 62.821 62.300 -0.569 0.000 1.083 1512 V CB -0.224 31.003 31.823 -0.993 0.000 0.692 1512 V HN 0.068 nan 8.190 nan 0.000 0.468 1513 L N -0.245 120.877 121.223 -0.169 0.000 2.093 1513 L HA -0.056 4.262 4.340 -0.037 0.000 0.208 1513 L C 2.520 179.379 176.870 -0.019 0.000 1.085 1513 L CA 1.700 56.516 54.840 -0.039 0.000 0.755 1513 L CB -0.952 41.113 42.059 0.010 0.000 0.904 1513 L HN 0.318 nan 8.230 nan 0.000 0.435 1514 E N -0.212 119.958 120.200 -0.049 0.000 2.046 1514 E HA -0.181 4.147 4.350 -0.037 0.000 0.190 1514 E C 2.111 178.687 176.600 -0.038 0.000 0.982 1514 E CA 0.940 57.325 56.400 -0.025 0.000 0.800 1514 E CB -0.078 29.606 29.700 -0.027 0.000 0.756 1514 E HN 0.555 nan 8.360 nan 0.000 0.449 1515 E N 0.536 120.690 120.200 -0.077 0.000 2.153 1515 E HA -0.079 4.249 4.350 -0.037 0.000 0.194 1515 E C 2.135 178.712 176.600 -0.039 0.000 0.988 1515 E CA 0.947 57.308 56.400 -0.065 0.000 0.811 1515 E CB 0.047 29.685 29.700 -0.104 0.000 0.746 1515 E HN 0.005 nan 8.360 nan 0.000 0.466 1516 S N 0.611 116.289 115.700 -0.036 0.000 2.387 1516 S HA -0.055 4.393 4.470 -0.037 0.000 0.226 1516 S C 1.943 176.548 174.600 0.008 0.000 1.026 1516 S CA 0.422 58.620 58.200 -0.003 0.000 0.972 1516 S CB -0.029 63.180 63.200 0.014 0.000 0.814 1516 S HN 0.191 nan 8.310 nan 0.000 0.477 1517 I N 1.102 121.676 120.570 0.008 0.000 2.614 1517 I HA -0.081 4.067 4.170 -0.037 0.000 0.258 1517 I C 0.179 176.296 176.117 0.000 0.000 1.189 1517 I CA 0.870 62.175 61.300 0.010 0.000 1.462 1517 I CB 0.070 38.079 38.000 0.016 0.000 1.092 1517 I HN 0.043 nan 8.210 nan 0.000 0.442 1518 K N 2.001 122.400 120.400 -0.002 0.000 2.378 1518 K HA 0.209 4.507 4.320 -0.037 0.000 0.288 1518 K C -0.437 176.163 176.600 0.000 0.000 1.057 1518 K CA 0.282 56.567 56.287 -0.003 0.000 0.971 1518 K CB 0.529 33.027 32.500 -0.005 0.000 0.975 1518 K HN 0.193 nan 8.250 nan 0.000 0.475 1582 Q N 1.020 120.921 119.800 0.169 0.000 2.230 1582 Q HA 0.054 4.372 4.340 -0.037 0.000 0.202 1582 Q C 1.658 177.763 176.000 0.176 0.000 0.963 1582 Q CA 1.447 57.356 55.803 0.176 0.000 0.866 1582 Q CB -0.214 28.584 28.738 0.100 0.000 0.931 1582 Q HN 0.320 nan 8.270 nan 0.000 0.452 1583 K N 0.767 121.249 120.400 0.136 0.000 2.001 1583 K HA -0.092 4.206 4.320 -0.037 0.000 0.208 1583 K C 1.995 178.686 176.600 0.151 0.000 1.048 1583 K CA 1.055 57.416 56.287 0.123 0.000 0.932 1583 K CB -0.443 32.112 32.500 0.091 0.000 0.715 1583 K HN 0.233 nan 8.250 nan 0.000 0.437 1584 L N 0.044 121.344 121.223 0.129 0.000 2.013 1584 L HA -0.228 4.090 4.340 -0.037 0.000 0.212 1584 L C 1.838 178.757 176.870 0.081 0.000 1.073 1584 L CA 1.872 56.764 54.840 0.087 0.000 0.753 1584 L CB -0.730 41.307 42.059 -0.036 0.000 0.890 1584 L HN 0.314 nan 8.230 nan 0.000 0.432 1585 Y N -0.564 119.796 120.300 0.101 0.000 2.181 1585 Y HA -0.252 4.276 4.550 -0.037 0.000 0.288 1585 Y C 2.512 178.539 175.900 0.211 0.000 1.146 1585 Y CA 1.665 59.871 58.100 0.176 0.000 1.164 1585 Y CB -0.523 38.034 38.460 0.160 0.000 0.982 1585 Y HN 0.367 nan 8.280 nan 0.000 0.515 1586 A N -0.740 122.256 122.820 0.292 0.000 1.902 1586 A HA -0.194 4.104 4.320 -0.037 0.000 0.217 1586 A C 2.226 179.903 177.584 0.154 0.000 1.181 1586 A CA 2.258 54.394 52.037 0.164 0.000 0.623 1586 A CB -1.149 17.924 19.000 0.123 0.000 0.818 1586 A HN 0.408 nan 8.150 nan 0.000 0.443 1587 T N -0.016 114.683 114.554 0.242 0.000 2.777 1587 T HA -0.096 4.232 4.350 -0.037 0.000 0.266 1587 T C 1.954 176.967 174.700 0.521 0.000 1.040 1587 T CA 1.587 63.913 62.100 0.375 0.000 1.141 1587 T CB -0.297 68.831 68.868 0.433 0.000 0.868 1587 T HN 0.417 nan 8.240 nan 0.000 0.444 1588 M N 0.867 120.729 119.600 0.436 0.000 2.108 1588 M HA -0.141 4.317 4.480 -0.037 0.000 0.261 1588 M C 2.484 178.924 176.300 0.233 0.000 1.066 1588 M CA 1.636 57.145 55.300 0.349 0.000 1.107 1588 M CB -0.378 32.259 32.600 0.062 0.000 1.356 1588 M HN 0.293 nan 8.290 nan 0.000 0.406 1589 E N 0.624 120.795 120.200 -0.048 0.000 2.077 1589 E HA -0.231 4.097 4.350 -0.037 0.000 0.193 1589 E C 2.004 178.464 176.600 -0.233 0.000 0.989 1589 E CA 1.272 57.338 56.400 -0.556 0.000 0.800 1589 E CB 0.069 29.213 29.700 -0.926 0.000 0.746 1589 E HN 0.339 nan 8.360 nan 0.000 0.452 1590 K N -0.443 119.884 120.400 -0.122 0.000 2.057 1590 K HA -0.146 4.152 4.320 -0.037 0.000 0.207 1590 K C 1.174 177.613 176.600 -0.269 0.000 1.049 1590 K CA 1.358 57.518 56.287 -0.213 0.000 0.931 1590 K CB 0.023 32.363 32.500 -0.267 0.000 0.714 1590 K HN 0.305 nan 8.250 nan 0.000 0.440 1591 H N 0.240 119.395 119.070 0.142 0.000 2.505 1591 H HA 0.059 4.593 4.556 -0.037 0.000 0.286 1591 H C 1.205 176.703 175.328 0.282 0.000 1.072 1591 H CA 0.236 56.395 56.048 0.185 0.000 1.141 1591 H CB 0.605 30.494 29.762 0.212 0.000 1.550 1591 H HN 0.349 nan 8.280 nan 0.000 0.547 1592 K N 1.429 121.984 120.400 0.258 0.000 2.113 1592 K HA -0.180 4.118 4.320 -0.037 0.000 0.208 1592 K C 1.610 178.295 176.600 0.142 0.000 1.047 1592 K CA 1.788 58.220 56.287 0.241 0.000 0.928 1592 K CB -0.003 32.590 32.500 0.154 0.000 0.716 1592 K HN 0.200 nan 8.250 nan 0.000 0.446 1593 E N 1.735 121.971 120.200 0.061 0.000 2.418 1593 E HA -0.088 4.240 4.350 -0.037 0.000 0.197 1593 E C 1.832 178.365 176.600 -0.112 0.000 1.026 1593 E CA 0.924 57.298 56.400 -0.043 0.000 0.862 1593 E CB -0.225 29.481 29.700 0.011 0.000 0.799 1593 E HN 0.312 nan 8.360 nan 0.000 0.518 1594 V N -0.025 119.851 119.914 -0.064 0.000 2.951 1594 V HA 0.051 4.149 4.120 -0.037 0.000 0.255 1594 V C 0.409 176.271 176.094 -0.388 0.000 1.088 1594 V CA 0.702 62.864 62.300 -0.229 0.000 1.109 1594 V CB -0.623 30.948 31.823 -0.420 0.000 0.724 1594 V HN 0.039 nan 8.190 nan 0.000 0.471 1595 F N -0.471 119.490 119.950 0.017 0.000 2.427 1595 F HA 0.599 5.105 4.527 -0.036 0.000 0.348 1595 F C -0.405 175.362 175.800 -0.055 0.000 1.125 1595 F CA -1.069 57.004 58.000 0.120 0.000 0.989 1595 F CB 1.068 40.217 39.000 0.247 0.000 1.165 1595 F HN -0.147 nan 8.300 nan 0.000 0.442 1596 F N 2.730 122.823 119.950 0.238 0.000 2.408 1596 F HA 0.609 5.116 4.527 -0.034 0.000 0.344 1596 F C -0.124 175.746 175.800 0.118 0.000 1.112 1596 F CA -1.016 57.071 58.000 0.146 0.000 1.096 1596 F CB 1.444 40.438 39.000 -0.010 0.000 1.129 1596 F HN 0.001 nan 8.300 nan 0.000 0.486 1597 V N 5.534 125.585 119.914 0.229 0.000 2.378 1597 V HA 0.394 4.492 4.120 -0.037 0.000 0.288 1597 V C -0.169 175.971 176.094 0.077 0.000 1.016 1597 V CA -0.683 61.630 62.300 0.022 0.000 0.840 1597 V CB 1.415 33.239 31.823 0.001 0.000 0.994 1597 V HN 0.528 nan 8.190 nan 0.000 0.431 1598 I N 5.034 125.598 120.570 -0.010 0.000 2.354 1598 I HA 0.487 4.635 4.170 -0.037 0.000 0.286 1598 I C 0.320 176.469 176.117 0.054 0.000 1.007 1598 I CA -0.428 60.920 61.300 0.082 0.000 1.167 1598 I CB 1.301 39.323 38.000 0.036 0.000 1.320 1598 I HN 0.525 nan 8.210 nan 0.000 0.458 1599 R N 6.336 126.902 120.500 0.109 0.000 2.196 1599 R HA 0.377 4.695 4.340 -0.037 0.000 0.340 1599 R C 0.234 176.600 176.300 0.110 0.000 1.043 1599 R CA -0.235 55.919 56.100 0.090 0.000 0.883 1599 R CB 0.644 31.004 30.300 0.100 0.000 1.078 1599 R HN 0.759 nan 8.270 nan 0.000 0.462 1600 L N 4.580 125.848 121.223 0.075 0.000 2.202 1600 L HA 0.208 4.526 4.340 -0.037 0.000 0.205 1600 L C 0.440 177.344 176.870 0.056 0.000 1.083 1600 L CA 0.630 55.513 54.840 0.072 0.000 0.790 1600 L CB 0.154 42.247 42.059 0.056 0.000 0.942 1600 L HN 0.581 nan 8.230 nan 0.000 0.452 1601 I N -0.166 120.415 120.570 0.020 0.000 2.447 1601 I HA 0.536 4.684 4.170 -0.037 0.000 0.287 1601 I C -0.390 175.671 176.117 -0.094 0.000 1.023 1601 I CA -0.376 60.910 61.300 -0.024 0.000 1.083 1601 I CB 1.874 39.865 38.000 -0.014 0.000 1.245 1601 I HN -0.100 nan 8.210 nan 0.000 0.434 1602 A N 4.138 126.836 122.820 -0.204 0.000 2.435 1602 A HA 0.991 5.289 4.320 -0.037 0.000 0.296 1602 A C 0.293 177.744 177.584 -0.222 0.000 1.147 1602 A CA -0.093 51.749 52.037 -0.324 0.000 0.775 1602 A CB 1.114 19.597 19.000 -0.863 0.000 1.340 1602 A HN 1.130 nan 8.150 nan 0.000 0.427 1603 G N -0.115 108.578 108.800 -0.179 0.000 2.569 1603 G HA2 -0.163 3.775 3.960 -0.037 0.000 0.259 1603 G HA3 -0.163 3.775 3.960 -0.037 0.000 0.259 1603 G C -1.544 173.316 174.900 -0.067 0.000 1.263 1603 G CA 0.273 45.312 45.100 -0.101 0.000 0.928 1603 G HN 0.690 nan 8.290 nan 0.000 0.572 1604 P HA 0.131 nan 4.420 nan 0.000 0.220 1604 P C 2.098 179.379 177.300 -0.033 0.000 1.148 1604 P CA 2.514 65.594 63.100 -0.033 0.000 0.803 1604 P CB -0.258 31.428 31.700 -0.022 0.000 0.782 1605 A N 0.322 123.119 122.820 -0.037 0.000 2.024 1605 A HA -0.101 4.197 4.320 -0.037 0.000 0.220 1605 A C 2.197 179.760 177.584 -0.037 0.000 1.164 1605 A CA 1.925 53.943 52.037 -0.033 0.000 0.643 1605 A CB -1.385 17.597 19.000 -0.031 0.000 0.806 1605 A HN 0.240 nan 8.150 nan 0.000 0.451 1606 A N -0.837 121.956 122.820 -0.045 0.000 2.218 1606 A HA 0.055 4.353 4.320 -0.037 0.000 0.209 1606 A C 1.697 179.261 177.584 -0.033 0.000 1.168 1606 A CA 0.877 52.890 52.037 -0.040 0.000 0.804 1606 A CB -0.288 18.683 19.000 -0.048 0.000 0.834 1606 A HN 0.486 nan 8.150 nan 0.000 0.482 1607 N N 0.660 119.341 118.700 -0.032 0.000 2.251 1607 N HA -0.048 4.670 4.740 -0.037 0.000 0.181 1607 N C 0.706 176.202 175.510 -0.024 0.000 1.019 1607 N CA 1.504 54.538 53.050 -0.027 0.000 0.862 1607 N CB -0.025 38.447 38.487 -0.025 0.000 0.992 1607 N HN 0.453 nan 8.380 nan 0.000 0.429 1608 S N -0.013 115.672 115.700 -0.024 0.000 2.422 1608 S HA 0.408 4.856 4.470 -0.037 0.000 0.226 1608 S C -0.071 174.513 174.600 -0.027 0.000 1.242 1608 S CA -0.628 57.559 58.200 -0.023 0.000 1.231 1608 S CB -0.309 62.879 63.200 -0.019 0.000 1.067 1608 S HN 0.013 nan 8.310 nan 0.000 0.462 1609 L N 2.800 124.004 121.223 -0.032 0.000 2.417 1609 L HA 0.449 4.767 4.340 -0.037 0.000 0.268 1609 L C -1.482 175.363 176.870 -0.042 0.000 1.158 1609 L CA -1.644 53.172 54.840 -0.041 0.000 0.819 1609 L CB 0.205 42.233 42.059 -0.052 0.000 1.112 1609 L HN 0.296 nan 8.230 nan 0.000 0.458 1610 P HA 0.287 nan 4.420 nan 0.000 0.274 1610 P C -2.621 174.644 177.300 -0.058 0.000 1.256 1610 P CA -1.344 61.730 63.100 -0.044 0.000 0.795 1610 P CB -0.413 31.262 31.700 -0.041 0.000 1.038 1611 P HA 0.063 nan 4.420 nan 0.000 0.267 1611 P C -0.048 177.198 177.300 -0.091 0.000 1.200 1611 P CA 0.180 63.242 63.100 -0.062 0.000 0.772 1611 P CB 0.101 31.776 31.700 -0.040 0.000 0.855 1612 I N 2.579 123.070 120.570 -0.132 0.000 2.517 1612 I HA 0.034 4.182 4.170 -0.037 0.000 0.285 1612 I C 0.112 176.177 176.117 -0.086 0.000 1.106 1612 I CA 0.142 61.338 61.300 -0.174 0.000 1.402 1612 I CB -0.188 37.613 38.000 -0.331 0.000 1.399 1612 I HN 0.019 nan 8.210 nan 0.000 0.535 1613 V N 5.966 125.843 119.914 -0.062 0.000 2.350 1613 V HA 0.210 4.308 4.120 -0.037 0.000 0.285 1613 V C 0.017 176.113 176.094 0.004 0.000 1.014 1613 V CA -0.775 61.513 62.300 -0.020 0.000 0.831 1613 V CB 1.827 33.638 31.823 -0.019 0.000 1.000 1613 V HN 0.603 nan 8.190 nan 0.000 0.433 1614 D N 7.348 127.775 120.400 0.044 0.000 2.316 1614 D HA 0.314 4.932 4.640 -0.037 0.000 0.245 1614 D C -0.952 175.392 176.300 0.074 0.000 1.171 1614 D CA -1.737 52.316 54.000 0.088 0.000 0.856 1614 D CB 2.198 43.079 40.800 0.135 0.000 1.090 1614 D HN 0.306 nan 8.370 nan 0.000 0.476 1615 P HA 0.028 nan 4.420 nan 0.000 0.229 1615 P C -0.319 177.025 177.300 0.074 0.000 1.160 1615 P CA 0.153 63.294 63.100 0.069 0.000 0.777 1615 P CB 0.508 32.253 31.700 0.076 0.000 0.814 1616 D N 1.764 122.219 120.400 0.092 0.000 2.304 1616 D HA 0.264 4.882 4.640 -0.037 0.000 0.250 1616 D C -2.032 174.296 176.300 0.047 0.000 1.107 1616 D CA -1.291 52.752 54.000 0.071 0.000 0.885 1616 D CB 0.523 41.370 40.800 0.079 0.000 1.192 1616 D HN 0.132 nan 8.370 nan 0.000 0.436 1617 P HA 0.205 nan 4.420 nan 0.000 0.276 1617 P C -0.014 177.282 177.300 -0.007 0.000 1.252 1617 P CA -0.611 62.496 63.100 0.012 0.000 0.802 1617 P CB 0.723 32.428 31.700 0.009 0.000 1.035 1618 L N 0.911 122.121 121.223 -0.023 0.000 2.483 1618 L HA 0.137 4.455 4.340 -0.037 0.000 0.276 1618 L C 0.379 177.205 176.870 -0.073 0.000 1.213 1618 L CA 0.471 55.274 54.840 -0.062 0.000 0.843 1618 L CB -0.267 41.753 42.059 -0.065 0.000 1.107 1618 L HN 0.235 nan 8.230 nan 0.000 0.487 1619 I N 3.890 124.381 120.570 -0.133 0.000 2.495 1619 I HA 0.253 4.401 4.170 -0.037 0.000 0.277 1619 I C -2.228 173.789 176.117 -0.166 0.000 1.045 1619 I CA -1.878 59.355 61.300 -0.111 0.000 1.135 1619 I CB 1.537 39.490 38.000 -0.079 0.000 1.241 1619 I HN 0.333 nan 8.210 nan 0.000 0.469 1620 P HA 0.048 nan 4.420 nan 0.000 0.271 1620 P C -0.655 176.682 177.300 0.061 0.000 1.220 1620 P CA -0.114 62.974 63.100 -0.020 0.000 0.768 1620 P CB 1.193 32.896 31.700 0.004 0.000 0.848 1621 C N 4.374 123.804 119.300 0.216 0.000 3.044 1621 C HA 0.158 4.596 4.460 -0.037 0.000 0.382 1621 C C 1.152 176.257 174.990 0.192 0.000 1.071 1621 C CA -0.496 58.635 59.018 0.189 0.000 1.296 1621 C CB -0.167 27.677 27.740 0.172 0.000 1.730 1621 C HN 0.549 nan 8.230 nan 0.000 0.513 1622 D N 2.022 122.475 120.400 0.089 0.000 2.178 1622 D HA -0.111 4.507 4.640 -0.037 0.000 0.202 1622 D C 1.872 178.171 176.300 -0.003 0.000 0.974 1622 D CA 0.993 55.016 54.000 0.038 0.000 0.841 1622 D CB 0.165 40.983 40.800 0.029 0.000 0.953 1622 D HN 0.638 nan 8.370 nan 0.000 0.478 1623 L N 0.080 121.305 121.223 0.003 0.000 2.127 1623 L HA -0.095 4.223 4.340 -0.037 0.000 0.211 1623 L C 1.490 178.350 176.870 -0.016 0.000 1.089 1623 L CA 1.490 56.325 54.840 -0.009 0.000 0.757 1623 L CB -0.098 41.938 42.059 -0.038 0.000 0.899 1623 L HN -0.068 nan 8.230 nan 0.000 0.434 1624 M N -1.286 118.292 119.600 -0.035 0.000 2.496 1624 M HA 0.231 4.689 4.480 -0.037 0.000 0.330 1624 M C -0.088 176.089 176.300 -0.205 0.000 1.133 1624 M CA -0.197 55.102 55.300 -0.001 0.000 0.964 1624 M CB -0.443 32.196 32.600 0.065 0.000 1.401 1624 M HN 0.055 nan 8.290 nan 0.000 0.520 1625 D N 2.216 122.377 120.400 -0.398 0.000 2.455 1625 D HA 0.422 5.040 4.640 -0.037 0.000 0.234 1625 D C 0.880 177.018 176.300 -0.269 0.000 1.224 1625 D CA 1.105 54.715 54.000 -0.650 0.000 0.999 1625 D CB 0.127 40.715 40.800 -0.353 0.000 1.072 1625 D HN 0.568 nan 8.370 nan 0.000 0.514 1626 G N 3.858 112.526 108.800 -0.220 0.000 2.741 1626 G HA2 -0.274 3.664 3.960 -0.037 0.000 0.222 1626 G HA3 -0.274 3.664 3.960 -0.037 0.000 0.222 1626 G C 0.781 175.416 174.900 -0.442 0.000 1.364 1626 G CA 0.062 44.944 45.100 -0.363 0.000 0.866 1626 G HN 0.605 nan 8.290 nan 0.000 0.555 1627 R N -0.846 119.342 120.500 -0.520 0.000 2.265 1627 R HA 0.208 4.526 4.340 -0.037 0.000 0.194 1627 R C 1.265 177.453 176.300 -0.187 0.000 0.931 1627 R CA 1.133 57.004 56.100 -0.382 0.000 1.032 1627 R CB 0.039 29.960 30.300 -0.631 0.000 0.980 1627 R HN 0.404 nan 8.270 nan 0.000 0.497 1628 D N 2.365 122.663 120.400 -0.170 0.000 2.117 1628 D HA -0.091 4.527 4.640 -0.037 0.000 0.197 1628 D C 1.950 178.218 176.300 -0.054 0.000 0.987 1628 D CA 1.832 55.766 54.000 -0.109 0.000 0.829 1628 D CB -0.170 40.577 40.800 -0.088 0.000 0.961 1628 D HN 0.383 nan 8.370 nan 0.000 0.460 1629 A N 0.357 123.165 122.820 -0.020 0.000 1.930 1629 A HA -0.151 4.147 4.320 -0.037 0.000 0.217 1629 A C 2.001 179.641 177.584 0.093 0.000 1.175 1629 A CA 0.812 52.860 52.037 0.018 0.000 0.627 1629 A CB -0.752 18.256 19.000 0.013 0.000 0.815 1629 A HN 0.212 nan 8.150 nan 0.000 0.443 1630 F N 0.475 120.385 119.950 -0.066 0.000 2.163 1630 F HA 0.018 4.522 4.527 -0.038 0.000 0.297 1630 F C 1.806 177.581 175.800 -0.041 0.000 1.094 1630 F CA 0.893 58.863 58.000 -0.050 0.000 1.290 1630 F CB -0.541 38.428 39.000 -0.052 0.000 1.017 1630 F HN 0.124 nan 8.300 nan 0.000 0.483 1631 L N -0.434 120.692 121.223 -0.160 0.000 2.042 1631 L HA -0.264 4.054 4.340 -0.037 0.000 0.210 1631 L C 2.323 179.052 176.870 -0.234 0.000 1.076 1631 L CA 1.939 56.631 54.840 -0.246 0.000 0.749 1631 L CB -1.168 40.798 42.059 -0.155 0.000 0.893 1631 L HN 0.108 nan 8.230 nan 0.000 0.432 1632 T N -0.028 114.441 114.554 -0.141 0.000 2.777 1632 T HA -0.188 4.140 4.350 -0.037 0.000 0.266 1632 T C 1.826 176.446 174.700 -0.133 0.000 1.040 1632 T CA 1.271 63.291 62.100 -0.134 0.000 1.141 1632 T CB -0.267 68.554 68.868 -0.078 0.000 0.868 1632 T HN 0.133 nan 8.240 nan 0.000 0.444 1633 L N 1.476 122.660 121.223 -0.064 0.000 2.013 1633 L HA -0.064 4.254 4.340 -0.037 0.000 0.212 1633 L C 2.598 179.420 176.870 -0.081 0.000 1.073 1633 L CA 2.081 56.907 54.840 -0.024 0.000 0.753 1633 L CB -0.927 41.194 42.059 0.103 0.000 0.890 1633 L HN 0.234 nan 8.230 nan 0.000 0.432 1634 A N -0.631 122.098 122.820 -0.152 0.000 1.898 1634 A HA -0.202 4.096 4.320 -0.037 0.000 0.216 1634 A C 2.396 179.807 177.584 -0.289 0.000 1.181 1634 A CA 1.732 53.677 52.037 -0.154 0.000 0.620 1634 A CB -0.533 18.372 19.000 -0.159 0.000 0.819 1634 A HN 0.500 nan 8.150 nan 0.000 0.442 1635 R N -0.306 119.866 120.500 -0.546 0.000 2.083 1635 R HA -0.126 4.192 4.340 -0.037 0.000 0.237 1635 R C 1.562 177.635 176.300 -0.377 0.000 1.137 1635 R CA 1.633 57.376 56.100 -0.595 0.000 0.951 1635 R CB -0.363 29.636 30.300 -0.502 0.000 0.851 1635 R HN 0.442 nan 8.270 nan 0.000 0.434 1636 D N -0.184 120.036 120.400 -0.300 0.000 2.224 1636 D HA -0.071 4.547 4.640 -0.037 0.000 0.205 1636 D C 1.322 177.398 176.300 -0.373 0.000 0.965 1636 D CA 1.025 54.848 54.000 -0.295 0.000 0.852 1636 D CB 0.077 40.779 40.800 -0.164 0.000 0.947 1636 D HN 0.159 nan 8.370 nan 0.000 0.494 1637 R N 0.088 120.440 120.500 -0.246 0.000 2.427 1637 R HA 0.071 4.389 4.340 -0.037 0.000 0.262 1637 R C -0.204 176.094 176.300 -0.004 0.000 0.943 1637 R CA -0.218 55.819 56.100 -0.107 0.000 1.081 1637 R CB 0.110 30.409 30.300 -0.001 0.000 1.166 1637 R HN 0.268 nan 8.270 nan 0.000 0.534 1638 H N 0.072 119.167 119.070 0.042 0.000 2.770 1638 H HA -0.157 4.377 4.556 -0.037 0.000 0.309 1638 H C -0.287 175.102 175.328 0.100 0.000 1.206 1638 H CA 0.675 56.766 56.048 0.072 0.000 1.147 1638 H CB -2.145 27.647 29.762 0.050 0.000 1.422 1638 H HN 0.210 nan 8.280 nan 0.000 0.420 1639 L N 0.562 121.890 121.223 0.175 0.000 2.379 1639 L HA 0.441 4.759 4.340 -0.037 0.000 0.269 1639 L C 0.817 177.786 176.870 0.166 0.000 1.084 1639 L CA -0.054 54.868 54.840 0.137 0.000 0.802 1639 L CB 1.363 43.468 42.059 0.077 0.000 1.175 1639 L HN 0.179 nan 8.230 nan 0.000 0.448 1640 E N 0.752 120.948 120.200 -0.006 0.000 2.413 1640 E HA 0.314 4.642 4.350 -0.037 0.000 0.277 1640 E C -1.317 175.143 176.600 -0.234 0.000 0.958 1640 E CA -0.573 55.819 56.400 -0.013 0.000 0.779 1640 E CB 2.177 31.874 29.700 -0.005 0.000 1.278 1640 E HN 0.341 nan 8.360 nan 0.000 0.456 1641 F N 1.132 121.100 119.950 0.030 0.000 2.923 1641 F HA 0.092 4.596 4.527 -0.038 0.000 0.314 1641 F C 1.497 177.364 175.800 0.111 0.000 1.196 1641 F CA -0.114 57.912 58.000 0.044 0.000 1.320 1641 F CB 0.601 39.572 39.000 -0.048 0.000 0.953 1641 F HN 0.330 nan 8.300 nan 0.000 0.505 1642 S N -1.871 113.928 115.700 0.165 0.000 2.524 1642 S HA 0.161 4.609 4.470 -0.037 0.000 0.216 1642 S C 0.687 175.448 174.600 0.268 0.000 0.987 1642 S CA 0.294 58.605 58.200 0.184 0.000 0.909 1642 S CB -0.113 63.133 63.200 0.077 0.000 0.781 1642 S HN 0.218 nan 8.310 nan 0.000 0.521 1643 S N -0.135 115.641 115.700 0.127 0.000 2.607 1643 S HA 0.589 5.037 4.470 -0.037 0.000 0.273 1643 S C 0.257 174.383 174.600 -0.790 0.000 1.148 1643 S CA -0.670 57.481 58.200 -0.082 0.000 0.833 1643 S CB 1.048 64.215 63.200 -0.056 0.000 1.130 1643 S HN 0.129 nan 8.310 nan 0.000 0.470 1644 L N 1.637 122.143 121.223 -1.194 0.000 1.989 1644 L HA 0.071 4.389 4.340 -0.037 0.000 0.211 1644 L C 2.603 179.192 176.870 -0.470 0.000 1.071 1644 L CA 1.876 56.022 54.840 -1.157 0.000 0.749 1644 L CB -0.931 40.761 42.059 -0.613 0.000 0.890 1644 L HN 0.854 nan 8.230 nan 0.000 0.431 1645 R N -0.955 119.379 120.500 -0.276 0.000 2.075 1645 R HA -0.076 4.242 4.340 -0.037 0.000 0.232 1645 R C 2.385 178.641 176.300 -0.073 0.000 1.126 1645 R CA 1.436 57.462 56.100 -0.123 0.000 0.963 1645 R CB -0.379 29.867 30.300 -0.091 0.000 0.858 1645 R HN 0.392 nan 8.270 nan 0.000 0.435 1646 R N 0.396 120.824 120.500 -0.118 0.000 2.081 1646 R HA -0.049 4.269 4.340 -0.037 0.000 0.235 1646 R C 2.363 178.592 176.300 -0.117 0.000 1.131 1646 R CA 1.347 57.402 56.100 -0.074 0.000 0.960 1646 R CB -0.389 29.859 30.300 -0.086 0.000 0.856 1646 R HN 0.211 nan 8.270 nan 0.000 0.436 1647 A N 1.227 123.941 122.820 -0.178 0.000 1.908 1647 A HA -0.231 4.067 4.320 -0.037 0.000 0.218 1647 A C 2.066 179.628 177.584 -0.037 0.000 1.181 1647 A CA 1.326 53.270 52.037 -0.155 0.000 0.627 1647 A CB -0.396 18.669 19.000 0.110 0.000 0.818 1647 A HN 0.348 nan 8.150 nan 0.000 0.445 1648 Q N -1.694 118.110 119.800 0.007 0.000 2.119 1648 Q HA -0.174 4.144 4.340 -0.037 0.000 0.201 1648 Q C 2.036 178.094 176.000 0.097 0.000 0.972 1648 Q CA 1.345 57.198 55.803 0.083 0.000 0.847 1648 Q CB -0.245 28.534 28.738 0.069 0.000 0.903 1648 Q HN 0.914 nan 8.270 nan 0.000 0.433 1649 W N 0.859 122.112 121.300 -0.077 0.000 2.355 1649 W HA -0.175 4.462 4.660 -0.038 0.000 0.309 1649 W C 1.859 178.334 176.519 -0.073 0.000 1.206 1649 W CA 1.670 58.975 57.345 -0.066 0.000 1.284 1649 W CB -0.104 29.306 29.460 -0.084 0.000 1.145 1649 W HN 0.096 nan 8.180 nan 0.000 0.502 1650 S N 0.424 116.073 115.700 -0.085 0.000 2.382 1650 S HA -0.184 4.264 4.470 -0.037 0.000 0.228 1650 S C 1.623 176.192 174.600 -0.052 0.000 1.027 1650 S CA 2.051 60.113 58.200 -0.230 0.000 0.991 1650 S CB -0.747 62.004 63.200 -0.747 0.000 0.823 1650 S HN 0.263 nan 8.310 nan 0.000 0.469 1651 T N 1.652 116.244 114.554 0.064 0.000 2.720 1651 T HA -0.076 4.252 4.350 -0.037 0.000 0.268 1651 T C 2.086 176.834 174.700 0.080 0.000 1.037 1651 T CA 1.403 63.654 62.100 0.252 0.000 1.144 1651 T CB -0.881 68.194 68.868 0.344 0.000 0.864 1651 T HN 0.558 nan 8.240 nan 0.000 0.444 1652 G N 0.338 109.086 108.800 -0.087 0.000 2.446 1652 G HA2 -0.249 3.689 3.960 -0.037 0.000 0.217 1652 G HA3 -0.249 3.689 3.960 -0.037 0.000 0.217 1652 G C 1.910 176.645 174.900 -0.274 0.000 1.168 1652 G CA 1.137 46.111 45.100 -0.210 0.000 0.771 1652 G HN 0.551 nan 8.290 nan 0.000 0.551 1653 C N 0.257 119.338 119.300 -0.366 0.000 2.429 1653 C HA 0.052 4.491 4.460 -0.037 0.000 0.277 1653 C C 2.770 177.691 174.990 -0.115 0.000 1.262 1653 C CA 1.107 59.958 59.018 -0.279 0.000 1.733 1653 C CB -0.791 26.798 27.740 -0.252 0.000 2.010 1653 C HN 0.575 nan 8.230 nan 0.000 0.483 1654 M N 0.254 119.853 119.600 -0.002 0.000 2.117 1654 M HA -0.146 4.312 4.480 -0.037 0.000 0.262 1654 M C 2.038 178.293 176.300 -0.076 0.000 1.065 1654 M CA 1.955 57.265 55.300 0.017 0.000 1.114 1654 M CB -0.299 32.364 32.600 0.104 0.000 1.361 1654 M HN 0.362 nan 8.290 nan 0.000 0.408 1655 L N -0.388 120.810 121.223 -0.042 0.000 2.056 1655 L HA -0.184 4.134 4.340 -0.037 0.000 0.207 1655 L C 2.399 179.269 176.870 0.000 0.000 1.078 1655 L CA 0.771 55.606 54.840 -0.008 0.000 0.749 1655 L CB -0.678 41.407 42.059 0.043 0.000 0.901 1655 L HN 0.175 nan 8.230 nan 0.000 0.433 1656 V N -0.082 119.713 119.914 -0.198 0.000 2.332 1656 V HA -0.294 3.804 4.120 -0.037 0.000 0.248 1656 V C 2.508 178.404 176.094 -0.330 0.000 1.055 1656 V CA 2.073 64.050 62.300 -0.538 0.000 1.038 1656 V CB -0.378 31.067 31.823 -0.631 0.000 0.651 1656 V HN 0.450 nan 8.190 nan 0.000 0.450 1657 E N 0.166 120.252 120.200 -0.191 0.000 2.072 1657 E HA -0.131 4.197 4.350 -0.037 0.000 0.190 1657 E C 2.058 178.602 176.600 -0.094 0.000 0.982 1657 E CA 1.169 57.494 56.400 -0.124 0.000 0.803 1657 E CB -0.297 29.356 29.700 -0.080 0.000 0.755 1657 E HN 0.541 nan 8.360 nan 0.000 0.453 1658 L N 0.138 121.292 121.223 -0.115 0.000 2.017 1658 L HA -0.213 4.105 4.340 -0.037 0.000 0.208 1658 L C 2.624 179.432 176.870 -0.104 0.000 1.073 1658 L CA 1.445 56.203 54.840 -0.137 0.000 0.745 1658 L CB -0.625 41.308 42.059 -0.211 0.000 0.894 1658 L HN 0.340 nan 8.230 nan 0.000 0.432 1659 H N -0.531 118.526 119.070 -0.021 0.000 2.357 1659 H HA -0.120 4.413 4.556 -0.037 0.000 0.301 1659 H C 2.430 177.796 175.328 0.065 0.000 1.082 1659 H CA 2.167 58.260 56.048 0.074 0.000 1.342 1659 H CB -0.204 29.722 29.762 0.274 0.000 1.389 1659 H HN 0.456 nan 8.280 nan 0.000 0.511 1660 T N -1.214 113.404 114.554 0.108 0.000 2.942 1660 T HA -0.074 4.254 4.350 -0.037 0.000 0.265 1660 T C 1.892 176.615 174.700 0.039 0.000 1.062 1660 T CA 0.628 62.767 62.100 0.065 0.000 1.139 1660 T CB -0.075 68.777 68.868 -0.027 0.000 0.883 1660 T HN 0.282 nan 8.240 nan 0.000 0.468 1661 Q N 0.751 120.559 119.800 0.013 0.000 2.170 1661 Q HA -0.001 4.317 4.340 -0.037 0.000 0.203 1661 Q C 2.410 178.424 176.000 0.023 0.000 0.976 1661 Q CA 1.383 57.193 55.803 0.011 0.000 0.858 1661 Q CB -0.155 28.581 28.738 -0.004 0.000 0.907 1661 Q HN 0.506 nan 8.270 nan 0.000 0.433 1662 S N 0.778 116.497 115.700 0.030 0.000 2.496 1662 S HA -0.055 4.393 4.470 -0.037 0.000 0.224 1662 S C 0.415 175.046 174.600 0.051 0.000 0.996 1662 S CA -0.019 58.201 58.200 0.032 0.000 0.927 1662 S CB 0.006 63.215 63.200 0.016 0.000 0.774 1662 S HN 0.428 nan 8.310 nan 0.000 0.524 1663 Q N 1.337 121.180 119.800 0.070 0.000 2.395 1663 Q HA 0.209 4.527 4.340 -0.037 0.000 0.271 1663 Q C -1.042 174.986 176.000 0.047 0.000 1.026 1663 Q CA 0.174 56.020 55.803 0.072 0.000 0.900 1663 Q CB 0.324 29.114 28.738 0.087 0.000 1.266 1663 Q HN 0.034 nan 8.270 nan 0.000 0.430 1664 D N 0.000 120.425 120.400 0.041 0.000 6.856 1664 D HA 0.000 4.618 4.640 -0.037 0.000 0.175 1664 D CA 0.000 54.018 54.000 0.030 0.000 0.868 1664 D CB 0.000 40.815 40.800 0.025 0.000 0.688 1664 D HN 0.000 nan 8.370 nan 0.000 0.683