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 3flo_1_F DATA FIRST_RESID 1273 DATA SEQUENCE DVERFKDTVT LELSCPSCDK RFPFGGIVSS NYYRVSYNGL QCKHCEQLFT DATA SEQUENCE PLQLTSQIEH SIRAHISLYY AGWLQCDDST CGIVTRQVSV FGKRCLNDGC DATA SEQUENCE TGVMRYKYSD KQLYNQLLYF DSLFDCEKNK KQELKPIYLP DDLDYPKEQL DATA SEQUENCE TESSIKALTE QNRELMETGR SVVQKYLNDC 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 1273 D HA 0.000 nan 4.640 nan 0.000 0.175 1273 D C 0.000 175.957 176.300 -0.572 0.000 2.045 1273 D CA 0.000 53.666 54.000 -0.556 0.000 0.868 1273 D CB 0.000 40.589 40.800 -0.352 0.000 0.688 1274 V N 2.608 122.360 119.914 -0.270 0.000 2.237 1274 V HA -0.168 3.952 4.120 -0.000 0.000 0.245 1274 V C 2.373 178.381 176.094 -0.143 0.000 1.046 1274 V CA 1.942 64.150 62.300 -0.154 0.000 1.007 1274 V CB -0.384 31.390 31.823 -0.082 0.000 0.638 1274 V HN 0.206 nan 8.190 nan 0.000 0.445 1275 E N -0.135 119.985 120.200 -0.133 0.000 2.150 1275 E HA -0.216 4.133 4.350 -0.000 0.000 0.193 1275 E C 2.295 178.833 176.600 -0.104 0.000 0.985 1275 E CA 0.932 57.277 56.400 -0.091 0.000 0.814 1275 E CB -0.319 29.339 29.700 -0.070 0.000 0.752 1275 E HN 0.484 nan 8.360 nan 0.000 0.466 1276 R N -0.094 120.281 120.500 -0.209 0.000 2.091 1276 R HA -0.083 4.257 4.340 -0.000 0.000 0.238 1276 R C 1.741 178.047 176.300 0.009 0.000 1.136 1276 R CA 1.299 57.282 56.100 -0.195 0.000 0.959 1276 R CB -0.093 29.933 30.300 -0.457 0.000 0.856 1276 R HN 0.164 nan 8.270 nan 0.000 0.437 1277 F N -0.444 119.470 119.950 -0.061 0.000 2.664 1277 F HA 0.173 4.700 4.527 -0.000 0.000 0.303 1277 F C 1.875 177.575 175.800 -0.168 0.000 1.092 1277 F CA -0.601 57.323 58.000 -0.126 0.000 1.305 1277 F CB 0.267 39.219 39.000 -0.080 0.000 1.054 1277 F HN -0.010 nan 8.300 nan 0.000 0.565 1278 K N 1.014 121.434 120.400 0.034 0.000 2.089 1278 K HA -0.222 4.098 4.320 -0.000 0.000 0.210 1278 K C 0.720 177.291 176.600 -0.049 0.000 1.048 1278 K CA 2.073 58.351 56.287 -0.015 0.000 0.926 1278 K CB -0.010 32.479 32.500 -0.020 0.000 0.714 1278 K HN 0.144 nan 8.250 nan 0.000 0.448 1279 D N 0.381 120.750 120.400 -0.052 0.000 2.369 1279 D HA -0.011 4.629 4.640 -0.000 0.000 0.211 1279 D C 0.226 176.449 176.300 -0.129 0.000 1.077 1279 D CA 0.298 54.252 54.000 -0.077 0.000 0.842 1279 D CB 0.340 41.108 40.800 -0.053 0.000 0.947 1279 D HN 0.389 nan 8.370 nan 0.000 0.509 1280 T N -0.684 113.753 114.554 -0.196 0.000 2.802 1280 T HA 0.326 4.676 4.350 -0.000 0.000 0.305 1280 T C 0.664 175.162 174.700 -0.337 0.000 1.053 1280 T CA -0.708 61.193 62.100 -0.331 0.000 1.058 1280 T CB 1.374 69.882 68.868 -0.599 0.000 0.988 1280 T HN -0.080 nan 8.240 nan 0.000 0.539 1281 V N -0.571 119.188 119.914 -0.258 0.000 2.881 1281 V HA 0.771 4.891 4.120 -0.000 0.000 0.316 1281 V C 0.653 176.771 176.094 0.039 0.000 1.070 1281 V CA -0.877 61.369 62.300 -0.090 0.000 0.976 1281 V CB 0.949 32.805 31.823 0.055 0.000 1.038 1281 V HN 1.246 nan 8.190 nan 0.000 0.446 1282 T N 1.106 115.741 114.554 0.135 0.000 2.856 1282 T HA 0.431 4.781 4.350 -0.000 0.000 0.306 1282 T C -0.174 174.789 174.700 0.439 0.000 1.062 1282 T CA -0.367 61.919 62.100 0.310 0.000 1.083 1282 T CB 0.880 69.852 68.868 0.174 0.000 0.984 1282 T HN 1.035 nan 8.240 nan 0.000 0.542 1283 L N 1.522 123.002 121.223 0.429 0.000 2.315 1283 L HA 0.501 4.841 4.340 -0.000 0.000 0.283 1283 L C -0.024 176.872 176.870 0.044 0.000 1.089 1283 L CA -0.286 54.621 54.840 0.112 0.000 0.833 1283 L CB 0.091 41.984 42.059 -0.277 0.000 1.170 1283 L HN 0.813 nan 8.230 nan 0.000 0.442 1284 E N 4.379 124.591 120.200 0.020 0.000 2.156 1284 E HA 0.549 4.899 4.350 -0.000 0.000 0.279 1284 E C -1.306 175.188 176.600 -0.176 0.000 0.965 1284 E CA -0.173 56.193 56.400 -0.056 0.000 0.789 1284 E CB 0.867 30.568 29.700 0.001 0.000 1.098 1284 E HN 0.689 nan 8.360 nan 0.000 0.397 1285 L N 2.343 123.324 121.223 -0.403 0.000 2.330 1285 L HA 0.562 4.902 4.340 -0.000 0.000 0.271 1285 L C -0.122 176.462 176.870 -0.476 0.000 1.013 1285 L CA -0.966 53.604 54.840 -0.450 0.000 0.816 1285 L CB 2.045 43.733 42.059 -0.618 0.000 1.287 1285 L HN 0.401 nan 8.230 nan 0.000 0.435 1286 S N 0.690 116.285 115.700 -0.175 0.000 2.482 1286 S HA 0.312 4.782 4.470 -0.000 0.000 0.303 1286 S C -0.664 173.955 174.600 0.030 0.000 1.091 1286 S CA -0.619 57.536 58.200 -0.076 0.000 1.057 1286 S CB 1.354 64.509 63.200 -0.075 0.000 1.031 1286 S HN 0.712 nan 8.310 nan 0.000 0.485 1287 C N 7.532 126.890 119.300 0.097 0.000 2.576 1287 C HA 0.492 4.952 4.460 -0.000 0.000 0.401 1287 C C -1.167 173.705 174.990 -0.196 0.000 1.314 1287 C CA -1.676 57.320 59.018 -0.037 0.000 1.855 1287 C CB 0.051 27.864 27.740 0.121 0.000 2.537 1287 C HN 0.782 nan 8.230 nan 0.000 0.578 1288 P HA -0.067 nan 4.420 nan 0.000 0.220 1288 P C 1.472 178.674 177.300 -0.164 0.000 1.148 1288 P CA 1.353 64.299 63.100 -0.258 0.000 0.803 1288 P CB 0.105 31.613 31.700 -0.319 0.000 0.782 1289 S N -0.305 115.306 115.700 -0.149 0.000 2.336 1289 S HA -0.100 4.370 4.470 -0.000 0.000 0.216 1289 S C 2.038 176.606 174.600 -0.053 0.000 1.032 1289 S CA 1.574 59.727 58.200 -0.079 0.000 0.973 1289 S CB -1.111 62.060 63.200 -0.047 0.000 0.888 1289 S HN 0.394 nan 8.310 nan 0.000 0.455 1290 C N -0.112 119.161 119.300 -0.044 0.000 3.065 1290 C HA 0.452 4.912 4.460 -0.000 0.000 0.285 1290 C C 0.179 175.119 174.990 -0.083 0.000 1.257 1290 C CA -0.119 58.868 59.018 -0.051 0.000 1.691 1290 C CB -0.517 27.205 27.740 -0.029 0.000 2.089 1290 C HN 0.445 nan 8.230 nan 0.000 0.630 1291 D N -0.455 119.910 120.400 -0.058 0.000 2.911 1291 D HA -0.132 4.508 4.640 -0.000 0.000 0.199 1291 D C -0.113 176.170 176.300 -0.029 0.000 1.041 1291 D CA 1.503 55.473 54.000 -0.050 0.000 1.013 1291 D CB -1.438 39.328 40.800 -0.057 0.000 1.093 1291 D HN 0.509 nan 8.370 nan 0.000 0.431 1292 K N 0.911 121.301 120.400 -0.017 0.000 2.451 1292 K HA 0.223 4.543 4.320 -0.000 0.000 0.280 1292 K C 0.450 177.151 176.600 0.168 0.000 1.020 1292 K CA 0.391 56.699 56.287 0.036 0.000 1.008 1292 K CB 0.533 33.049 32.500 0.027 0.000 0.917 1292 K HN 0.118 nan 8.250 nan 0.000 0.478 1293 R N 3.272 123.831 120.500 0.099 0.000 2.474 1293 R HA 0.526 4.866 4.340 -0.000 0.000 0.295 1293 R C -0.705 175.677 176.300 0.138 0.000 0.980 1293 R CA -0.749 55.377 56.100 0.043 0.000 0.934 1293 R CB 0.775 31.066 30.300 -0.016 0.000 1.101 1293 R HN 0.590 nan 8.270 nan 0.000 0.469 1294 F N -0.242 119.749 119.950 0.067 0.000 2.678 1294 F HA 0.520 5.047 4.527 -0.000 0.000 0.308 1294 F C -3.001 172.907 175.800 0.180 0.000 1.118 1294 F CA -3.001 55.068 58.000 0.114 0.000 0.959 1294 F CB 1.247 40.387 39.000 0.233 0.000 1.305 1294 F HN 0.309 nan 8.300 nan 0.000 0.443 1295 P HA 0.210 nan 4.420 nan 0.000 0.279 1295 P C -1.310 176.226 177.300 0.392 0.000 1.239 1295 P CA 0.140 63.392 63.100 0.254 0.000 0.789 1295 P CB 1.342 33.153 31.700 0.185 0.000 0.933 1296 F N 2.563 122.520 119.950 0.012 0.000 2.388 1296 F HA 0.580 5.107 4.527 -0.000 0.000 0.358 1296 F C 0.721 176.462 175.800 -0.099 0.000 1.122 1296 F CA -0.154 57.757 58.000 -0.149 0.000 1.056 1296 F CB 1.086 39.859 39.000 -0.378 0.000 1.155 1296 F HN 0.388 nan 8.300 nan 0.000 0.461 1297 G N 3.600 112.046 108.800 -0.590 0.000 3.805 1297 G HA2 0.458 4.418 3.960 -0.000 0.000 0.290 1297 G HA3 0.458 4.418 3.960 -0.000 0.000 0.290 1297 G C 0.512 175.018 174.900 -0.657 0.000 1.077 1297 G CA 0.089 44.922 45.100 -0.445 0.000 0.852 1297 G HN 1.363 nan 8.290 nan 0.000 0.531 1298 G N 0.479 108.413 108.800 -1.443 0.000 2.632 1298 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 1298 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 1298 G C 0.102 174.759 174.900 -0.405 0.000 1.341 1298 G CA -0.408 44.178 45.100 -0.858 0.000 0.880 1298 G HN 0.573 nan 8.290 nan 0.000 0.566 1299 I N 1.873 122.374 120.570 -0.115 0.000 2.382 1299 I HA 0.358 4.528 4.170 -0.000 0.000 0.297 1299 I C 1.009 177.110 176.117 -0.026 0.000 1.172 1299 I CA 0.052 61.361 61.300 0.014 0.000 1.825 1299 I CB -0.917 37.114 38.000 0.051 0.000 1.509 1299 I HN 0.705 nan 8.210 nan 0.000 0.842 1300 V N 0.034 119.920 119.914 -0.047 0.000 3.160 1300 V HA 0.554 4.674 4.120 -0.000 0.000 0.310 1300 V C 0.151 176.151 176.094 -0.156 0.000 1.181 1300 V CA -0.816 61.437 62.300 -0.078 0.000 1.047 1300 V CB 1.726 33.506 31.823 -0.071 0.000 1.068 1300 V HN 0.232 nan 8.190 nan 0.000 0.441 1301 S N 1.391 116.990 115.700 -0.169 0.000 2.579 1301 S HA 0.619 5.089 4.470 -0.000 0.000 0.275 1301 S C 0.055 174.457 174.600 -0.331 0.000 1.345 1301 S CA 0.382 58.427 58.200 -0.258 0.000 1.031 1301 S CB 0.706 63.765 63.200 -0.235 0.000 0.892 1301 S HN 1.519 nan 8.310 nan 0.000 0.529 1302 S N 1.261 116.679 115.700 -0.469 0.000 2.558 1302 S HA 0.305 4.775 4.470 -0.000 0.000 0.277 1302 S C -0.139 174.116 174.600 -0.576 0.000 1.143 1302 S CA -0.833 57.071 58.200 -0.494 0.000 0.865 1302 S CB 0.617 63.405 63.200 -0.687 0.000 1.102 1302 S HN 0.574 nan 8.310 nan 0.000 0.454 1303 N N 1.566 119.803 118.700 -0.773 0.000 2.515 1303 N HA 0.085 4.825 4.740 -0.000 0.000 0.185 1303 N C 0.275 175.333 175.510 -0.754 0.000 1.109 1303 N CA 0.947 53.500 53.050 -0.829 0.000 0.903 1303 N CB -0.265 37.603 38.487 -1.031 0.000 0.969 1303 N HN 0.645 nan 8.380 nan 0.000 0.450 1304 Y N -1.216 118.969 120.300 -0.191 0.000 2.483 1304 Y HA 0.194 4.744 4.550 -0.000 0.000 0.258 1304 Y C 0.328 176.006 175.900 -0.369 0.000 1.083 1304 Y CA -0.768 57.212 58.100 -0.199 0.000 1.283 1304 Y CB -0.016 38.402 38.460 -0.069 0.000 1.178 1304 Y HN 0.001 nan 8.280 nan 0.000 0.515 1305 Y N -1.507 118.622 120.300 -0.284 0.000 2.655 1305 Y HA 0.771 5.321 4.550 -0.000 0.000 0.336 1305 Y C -0.972 174.870 175.900 -0.097 0.000 1.154 1305 Y CA -2.318 55.619 58.100 -0.271 0.000 1.055 1305 Y CB 1.484 39.705 38.460 -0.399 0.000 1.295 1305 Y HN -0.230 nan 8.280 nan 0.000 0.465 1306 R N 1.461 122.064 120.500 0.172 0.000 2.651 1306 R HA 0.703 5.043 4.340 -0.000 0.000 0.278 1306 R C -2.347 174.103 176.300 0.252 0.000 1.010 1306 R CA -0.895 55.261 56.100 0.094 0.000 0.896 1306 R CB 2.500 32.812 30.300 0.021 0.000 1.211 1306 R HN 0.744 nan 8.270 nan 0.000 0.456 1307 V N 4.218 124.268 119.914 0.226 0.000 2.318 1307 V HA 0.247 4.367 4.120 -0.000 0.000 0.271 1307 V C 0.332 176.493 176.094 0.111 0.000 1.030 1307 V CA -0.380 62.033 62.300 0.189 0.000 0.844 1307 V CB 0.798 32.753 31.823 0.219 0.000 1.015 1307 V HN 0.908 nan 8.190 nan 0.000 0.460 1308 S N 4.240 119.982 115.700 0.070 0.000 2.719 1308 S HA 0.386 4.856 4.470 -0.000 0.000 0.285 1308 S C 0.941 175.566 174.600 0.042 0.000 1.137 1308 S CA -0.308 57.921 58.200 0.050 0.000 1.012 1308 S CB 0.489 63.675 63.200 -0.022 0.000 1.134 1308 S HN 0.742 nan 8.310 nan 0.000 0.544 1309 Y N 0.725 121.053 120.300 0.046 0.000 2.497 1309 Y HA 0.107 4.657 4.550 -0.000 0.000 0.292 1309 Y C 0.927 176.853 175.900 0.043 0.000 1.137 1309 Y CA 1.051 59.175 58.100 0.040 0.000 1.285 1309 Y CB -0.869 37.608 38.460 0.030 0.000 0.991 1309 Y HN 0.620 nan 8.280 nan 0.000 0.556 1310 N N -0.054 118.327 118.700 -0.533 0.000 2.235 1310 N HA 0.458 5.198 4.740 -0.000 0.000 0.231 1310 N C 0.404 175.827 175.510 -0.145 0.000 1.177 1310 N CA 0.368 53.217 53.050 -0.334 0.000 0.874 1310 N CB 0.877 39.056 38.487 -0.512 0.000 1.097 1310 N HN 0.582 nan 8.380 nan 0.000 0.518 1311 G N -0.070 108.683 108.800 -0.079 0.000 2.334 1311 G HA2 0.088 4.048 3.960 -0.000 0.000 0.315 1311 G HA3 0.088 4.048 3.960 -0.000 0.000 0.315 1311 G C -1.902 173.018 174.900 0.034 0.000 1.284 1311 G CA -0.897 44.201 45.100 -0.004 0.000 0.985 1311 G HN 0.253 nan 8.290 nan 0.000 0.504 1312 L N 0.866 122.116 121.223 0.046 0.000 2.418 1312 L HA 0.639 4.979 4.340 -0.000 0.000 0.274 1312 L C 0.502 177.477 176.870 0.175 0.000 1.135 1312 L CA 0.334 55.202 54.840 0.047 0.000 0.870 1312 L CB 0.835 42.759 42.059 -0.225 0.000 1.154 1312 L HN 0.746 nan 8.230 nan 0.000 0.462 1313 Q N 4.648 124.566 119.800 0.197 0.000 2.340 1313 Q HA 0.355 4.695 4.340 -0.000 0.000 0.268 1313 Q C -1.249 174.898 176.000 0.245 0.000 1.031 1313 Q CA -0.764 55.169 55.803 0.217 0.000 0.804 1313 Q CB 1.690 30.495 28.738 0.112 0.000 1.286 1313 Q HN 0.856 nan 8.270 nan 0.000 0.448 1314 C N 4.644 124.117 119.300 0.289 0.000 2.499 1314 C HA 0.315 4.775 4.460 -0.000 0.000 0.386 1314 C C 1.075 176.142 174.990 0.128 0.000 1.293 1314 C CA -0.196 58.958 59.018 0.227 0.000 1.884 1314 C CB -0.193 27.741 27.740 0.323 0.000 2.509 1314 C HN 1.032 nan 8.230 nan 0.000 0.566 1315 K N 2.018 122.461 120.400 0.071 0.000 2.296 1315 K HA -0.083 4.237 4.320 -0.000 0.000 0.200 1315 K C 2.055 178.698 176.600 0.071 0.000 1.048 1315 K CA 0.792 57.105 56.287 0.042 0.000 0.966 1315 K CB -0.230 32.258 32.500 -0.020 0.000 0.754 1315 K HN 0.840 nan 8.250 nan 0.000 0.466 1316 H N 0.365 119.470 119.070 0.059 0.000 2.326 1316 H HA -0.110 4.446 4.556 -0.000 0.000 0.301 1316 H C 1.702 177.058 175.328 0.047 0.000 1.081 1316 H CA 1.890 57.977 56.048 0.064 0.000 1.334 1316 H CB 0.233 30.048 29.762 0.088 0.000 1.385 1316 H HN 0.390 nan 8.280 nan 0.000 0.504 1317 C N -0.193 119.241 119.300 0.224 0.000 3.491 1317 C HA 0.360 4.820 4.460 -0.000 0.000 0.298 1317 C C 0.637 175.676 174.990 0.081 0.000 1.424 1317 C CA 0.064 59.174 59.018 0.154 0.000 1.772 1317 C CB 0.660 28.521 27.740 0.201 0.000 2.447 1317 C HN 0.520 nan 8.230 nan 0.000 0.670 1318 E N -0.009 120.238 120.200 0.078 0.000 3.673 1318 E HA -0.176 4.174 4.350 -0.000 0.000 0.309 1318 E C -0.264 176.372 176.600 0.060 0.000 0.819 1318 E CA 1.210 57.645 56.400 0.058 0.000 1.111 1318 E CB -1.514 28.205 29.700 0.032 0.000 1.561 1318 E HN 0.795 nan 8.360 nan 0.000 0.450 1319 Q N 0.025 119.865 119.800 0.066 0.000 2.327 1319 Q HA 0.341 4.681 4.340 -0.000 0.000 0.254 1319 Q C 0.733 176.781 176.000 0.079 0.000 0.952 1319 Q CA -0.021 55.807 55.803 0.041 0.000 0.884 1319 Q CB 0.744 29.482 28.738 -0.000 0.000 1.224 1319 Q HN 0.250 nan 8.270 nan 0.000 0.422 1320 L N 2.565 123.826 121.223 0.063 0.000 2.326 1320 L HA 0.283 4.623 4.340 -0.000 0.000 0.278 1320 L C -0.003 176.946 176.870 0.132 0.000 1.092 1320 L CA -0.469 54.444 54.840 0.123 0.000 0.810 1320 L CB 0.315 42.408 42.059 0.056 0.000 1.153 1320 L HN 0.435 nan 8.230 nan 0.000 0.439 1321 F N 0.782 120.737 119.950 0.010 0.000 2.471 1321 F HA 0.140 4.667 4.527 -0.000 0.000 0.353 1321 F C 1.199 176.981 175.800 -0.030 0.000 1.113 1321 F CA -0.421 57.574 58.000 -0.010 0.000 1.262 1321 F CB 0.959 39.944 39.000 -0.024 0.000 1.146 1321 F HN 0.440 nan 8.300 nan 0.000 0.578 1322 T N 0.801 115.421 114.554 0.109 0.000 2.874 1322 T HA 0.280 4.630 4.350 -0.000 0.000 0.281 1322 T C -1.949 172.790 174.700 0.065 0.000 0.994 1322 T CA -1.765 60.370 62.100 0.058 0.000 1.015 1322 T CB 1.475 70.348 68.868 0.008 0.000 1.028 1322 T HN 0.273 nan 8.240 nan 0.000 0.523 1323 P HA -0.074 nan 4.420 nan 0.000 0.216 1323 P C 1.645 178.926 177.300 -0.032 0.000 1.153 1323 P CA 0.395 63.482 63.100 -0.022 0.000 0.858 1323 P CB -0.049 31.631 31.700 -0.034 0.000 0.789 1324 L N -0.365 120.845 121.223 -0.020 0.000 2.093 1324 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 1324 L C 2.219 179.080 176.870 -0.016 0.000 1.085 1324 L CA 1.868 56.692 54.840 -0.026 0.000 0.755 1324 L CB -1.321 40.724 42.059 -0.024 0.000 0.904 1324 L HN -0.072 nan 8.230 nan 0.000 0.435 1325 Q N -1.281 118.525 119.800 0.010 0.000 2.170 1325 Q HA -0.197 4.143 4.340 -0.000 0.000 0.203 1325 Q C 2.044 178.120 176.000 0.127 0.000 0.976 1325 Q CA 1.648 57.470 55.803 0.031 0.000 0.858 1325 Q CB -0.189 28.535 28.738 -0.023 0.000 0.907 1325 Q HN 0.491 nan 8.270 nan 0.000 0.433 1326 L N -0.110 121.182 121.223 0.114 0.000 2.102 1326 L HA -0.083 4.257 4.340 -0.000 0.000 0.202 1326 L C 2.339 179.126 176.870 -0.137 0.000 1.076 1326 L CA 2.223 57.049 54.840 -0.024 0.000 0.761 1326 L CB -0.851 41.097 42.059 -0.185 0.000 0.921 1326 L HN 0.257 nan 8.230 nan 0.000 0.444 1327 T N -3.164 111.306 114.554 -0.139 0.000 2.904 1327 T HA -0.105 4.245 4.350 -0.000 0.000 0.267 1327 T C 1.989 176.634 174.700 -0.091 0.000 1.059 1327 T CA 1.151 63.150 62.100 -0.167 0.000 1.137 1327 T CB -0.916 67.864 68.868 -0.146 0.000 0.879 1327 T HN 0.503 nan 8.240 nan 0.000 0.467 1328 S N 1.645 117.315 115.700 -0.051 0.000 2.402 1328 S HA -0.151 4.319 4.470 -0.000 0.000 0.229 1328 S C 2.184 176.783 174.600 -0.002 0.000 1.021 1328 S CA 0.764 58.955 58.200 -0.016 0.000 0.974 1328 S CB -0.596 62.592 63.200 -0.020 0.000 0.800 1328 S HN 0.650 nan 8.310 nan 0.000 0.484 1329 Q N 0.628 120.408 119.800 -0.033 0.000 2.137 1329 Q HA 0.180 4.520 4.340 -0.000 0.000 0.198 1329 Q C 2.206 178.180 176.000 -0.043 0.000 0.960 1329 Q CA 1.162 56.949 55.803 -0.027 0.000 0.847 1329 Q CB -0.378 28.330 28.738 -0.051 0.000 0.915 1329 Q HN 0.580 nan 8.270 nan 0.000 0.448 1330 I N 0.922 121.418 120.570 -0.124 0.000 2.127 1330 I HA -0.316 3.854 4.170 -0.000 0.000 0.241 1330 I C 2.436 178.511 176.117 -0.069 0.000 1.075 1330 I CA 1.475 62.667 61.300 -0.179 0.000 1.334 1330 I CB -0.212 37.633 38.000 -0.259 0.000 1.040 1330 I HN 0.259 nan 8.210 nan 0.000 0.405 1331 E N 0.161 120.355 120.200 -0.011 0.000 2.077 1331 E HA -0.313 4.037 4.350 -0.000 0.000 0.193 1331 E C 2.156 178.776 176.600 0.033 0.000 0.989 1331 E CA 1.413 57.840 56.400 0.045 0.000 0.800 1331 E CB -0.076 29.689 29.700 0.109 0.000 0.746 1331 E HN 0.521 nan 8.360 nan 0.000 0.452 1332 H N -0.406 118.653 119.070 -0.019 0.000 2.353 1332 H HA -0.040 4.516 4.556 -0.000 0.000 0.300 1332 H C 1.990 177.330 175.328 0.020 0.000 1.090 1332 H CA 2.143 58.188 56.048 -0.005 0.000 1.327 1332 H CB -0.005 29.752 29.762 -0.008 0.000 1.383 1332 H HN 0.070 nan 8.280 nan 0.000 0.508 1333 S N 0.020 115.779 115.700 0.097 0.000 2.355 1333 S HA -0.124 4.346 4.470 -0.000 0.000 0.222 1333 S C 2.282 177.017 174.600 0.225 0.000 1.031 1333 S CA 1.328 59.624 58.200 0.161 0.000 0.993 1333 S CB -0.251 63.073 63.200 0.206 0.000 0.859 1333 S HN 0.388 nan 8.310 nan 0.000 0.453 1334 I N 1.372 122.022 120.570 0.132 0.000 2.163 1334 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 1334 I C 2.665 178.710 176.117 -0.119 0.000 1.085 1334 I CA 1.148 62.461 61.300 0.021 0.000 1.347 1334 I CB -0.232 37.630 38.000 -0.230 0.000 1.044 1334 I HN 0.140 nan 8.210 nan 0.000 0.408 1335 R N 0.678 121.054 120.500 -0.205 0.000 2.148 1335 R HA -0.037 4.303 4.340 -0.000 0.000 0.227 1335 R C 2.251 178.487 176.300 -0.107 0.000 1.103 1335 R CA 1.337 57.330 56.100 -0.178 0.000 0.983 1335 R CB -0.819 29.393 30.300 -0.147 0.000 0.874 1335 R HN 0.396 nan 8.270 nan 0.000 0.451 1336 A N 0.707 123.441 122.820 -0.144 0.000 1.898 1336 A HA -0.153 4.167 4.320 -0.000 0.000 0.216 1336 A C 1.943 179.513 177.584 -0.024 0.000 1.181 1336 A CA 1.091 53.052 52.037 -0.126 0.000 0.620 1336 A CB -0.662 18.222 19.000 -0.193 0.000 0.819 1336 A HN 0.304 nan 8.150 nan 0.000 0.442 1337 H N -0.428 118.660 119.070 0.029 0.000 2.353 1337 H HA -0.065 4.491 4.556 -0.000 0.000 0.300 1337 H C 2.113 177.438 175.328 -0.006 0.000 1.090 1337 H CA 1.901 58.009 56.048 0.101 0.000 1.327 1337 H CB -0.156 29.656 29.762 0.083 0.000 1.383 1337 H HN 0.463 nan 8.280 nan 0.000 0.508 1338 I N -0.196 120.400 120.570 0.044 0.000 2.394 1338 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 1338 I C 2.755 178.968 176.117 0.161 0.000 1.136 1338 I CA 0.745 62.043 61.300 -0.003 0.000 1.425 1338 I CB -0.128 37.878 38.000 0.011 0.000 1.079 1338 I HN 0.103 nan 8.210 nan 0.000 0.425 1339 S N 0.804 116.589 115.700 0.142 0.000 2.371 1339 S HA -0.137 4.333 4.470 -0.000 0.000 0.224 1339 S C 1.964 176.675 174.600 0.185 0.000 1.029 1339 S CA 0.966 59.270 58.200 0.174 0.000 0.978 1339 S CB -0.222 63.032 63.200 0.089 0.000 0.833 1339 S HN 0.309 nan 8.310 nan 0.000 0.466 1340 L N 1.098 122.427 121.223 0.177 0.000 2.046 1340 L HA -0.039 4.301 4.340 -0.000 0.000 0.208 1340 L C 1.968 179.012 176.870 0.290 0.000 1.077 1340 L CA 2.105 57.099 54.840 0.256 0.000 0.747 1340 L CB -1.424 40.802 42.059 0.279 0.000 0.896 1340 L HN 0.551 nan 8.230 nan 0.000 0.432 1341 Y N -0.832 119.449 120.300 -0.031 0.000 2.128 1341 Y HA -0.325 4.225 4.550 -0.000 0.000 0.284 1341 Y C 2.039 177.764 175.900 -0.291 0.000 1.154 1341 Y CA 2.050 59.956 58.100 -0.323 0.000 1.149 1341 Y CB -0.564 37.441 38.460 -0.758 0.000 0.976 1341 Y HN 0.286 nan 8.280 nan 0.000 0.505 1342 Y N -0.018 120.261 120.300 -0.035 0.000 2.578 1342 Y HA 0.102 4.652 4.550 -0.000 0.000 0.297 1342 Y C 2.359 178.196 175.900 -0.104 0.000 1.176 1342 Y CA 0.321 58.335 58.100 -0.144 0.000 1.315 1342 Y CB -0.845 37.598 38.460 -0.028 0.000 1.031 1342 Y HN 0.295 nan 8.280 nan 0.000 0.524 1343 A N -0.026 122.846 122.820 0.087 0.000 1.972 1343 A HA 0.130 4.450 4.320 -0.000 0.000 0.219 1343 A C 2.188 179.693 177.584 -0.132 0.000 1.169 1343 A CA 1.249 53.289 52.037 0.006 0.000 0.635 1343 A CB -1.108 17.981 19.000 0.147 0.000 0.810 1343 A HN 0.618 nan 8.150 nan 0.000 0.446 1344 G N -2.618 106.154 108.800 -0.046 0.000 2.182 1344 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 1344 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 1344 G C -0.159 174.821 174.900 0.133 0.000 1.042 1344 G CA 0.009 45.130 45.100 0.034 0.000 0.775 1344 G HN 0.472 nan 8.290 nan 0.000 0.501 1345 W N -1.117 120.271 121.300 0.146 0.000 2.193 1345 W HA 0.569 5.229 4.660 -0.000 0.000 0.338 1345 W C 0.753 177.352 176.519 0.133 0.000 1.310 1345 W CA -0.340 57.074 57.345 0.115 0.000 1.243 1345 W CB 0.415 29.928 29.460 0.088 0.000 1.165 1345 W HN 0.207 nan 8.180 nan 0.000 0.566 1346 L N 2.135 123.535 121.223 0.296 0.000 2.341 1346 L HA 0.451 4.790 4.340 -0.000 0.000 0.267 1346 L C -0.219 176.729 176.870 0.129 0.000 1.009 1346 L CA -0.869 54.034 54.840 0.106 0.000 0.819 1346 L CB 1.948 43.972 42.059 -0.059 0.000 1.323 1346 L HN 0.405 nan 8.230 nan 0.000 0.425 1347 Q N 0.926 120.766 119.800 0.067 0.000 2.397 1347 Q HA 0.426 4.766 4.340 -0.000 0.000 0.275 1347 Q C -1.561 174.451 176.000 0.022 0.000 1.090 1347 Q CA -0.691 55.144 55.803 0.054 0.000 0.809 1347 Q CB 2.340 31.109 28.738 0.052 0.000 1.362 1347 Q HN 0.750 nan 8.270 nan 0.000 0.431 1348 C N 3.644 122.956 119.300 0.019 0.000 2.325 1348 C HA 0.204 4.664 4.460 -0.000 0.000 0.347 1348 C C 1.441 176.436 174.990 0.007 0.000 1.263 1348 C CA -0.161 58.862 59.018 0.009 0.000 1.806 1348 C CB -0.154 27.592 27.740 0.010 0.000 2.405 1348 C HN 1.056 nan 8.230 nan 0.000 0.537 1349 D N 2.064 122.467 120.400 0.004 0.000 2.242 1349 D HA -0.175 4.465 4.640 -0.000 0.000 0.190 1349 D C 0.618 176.919 176.300 0.002 0.000 1.012 1349 D CA 1.901 55.903 54.000 0.004 0.000 0.875 1349 D CB -0.145 40.656 40.800 0.001 0.000 0.922 1349 D HN 0.857 nan 8.370 nan 0.000 0.448 1350 D N -1.182 119.218 120.400 0.001 0.000 2.382 1350 D HA 0.009 4.649 4.640 -0.000 0.000 0.259 1350 D C 1.146 177.446 176.300 0.000 0.000 1.224 1350 D CA 0.335 54.335 54.000 -0.000 0.000 0.894 1350 D CB 0.917 41.716 40.800 -0.001 0.000 1.127 1350 D HN 0.077 nan 8.370 nan 0.000 0.487 1351 S N 1.800 117.500 115.700 -0.001 0.000 2.399 1351 S HA -0.196 4.274 4.470 -0.000 0.000 0.231 1351 S C 1.572 176.171 174.600 -0.002 0.000 1.022 1351 S CA 1.383 59.582 58.200 -0.002 0.000 0.983 1351 S CB -0.644 62.554 63.200 -0.002 0.000 0.803 1351 S HN 0.561 nan 8.310 nan 0.000 0.480 1352 T N -2.538 112.015 114.554 -0.001 0.000 3.324 1352 T HA 0.347 4.697 4.350 -0.000 0.000 0.250 1352 T C 0.950 175.650 174.700 0.001 0.000 1.059 1352 T CA 0.099 62.199 62.100 -0.001 0.000 0.951 1352 T CB -0.445 68.422 68.868 -0.001 0.000 1.030 1352 T HN 0.605 nan 8.240 nan 0.000 0.576 1353 C N -0.657 118.644 119.300 0.002 0.000 3.154 1353 C HA 0.653 5.113 4.460 -0.000 0.000 0.284 1353 C C 2.352 177.346 174.990 0.006 0.000 2.328 1353 C CA 0.977 59.997 59.018 0.004 0.000 1.586 1353 C CB 0.177 27.920 27.740 0.005 0.000 1.551 1353 C HN 0.851 nan 8.230 nan 0.000 0.693 1354 G N 2.310 111.114 108.800 0.007 0.000 2.168 1354 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.263 1354 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.263 1354 G C 0.214 175.122 174.900 0.014 0.000 0.977 1354 G CA 0.690 45.795 45.100 0.007 0.000 0.659 1354 G HN 1.678 nan 8.290 nan 0.000 0.533 1355 I N -0.852 119.731 120.570 0.022 0.000 2.815 1355 I HA 0.494 4.664 4.170 -0.000 0.000 0.291 1355 I C 0.720 176.872 176.117 0.059 0.000 1.209 1355 I CA -0.363 60.959 61.300 0.037 0.000 1.431 1355 I CB 1.088 39.112 38.000 0.040 0.000 1.351 1355 I HN 0.513 nan 8.210 nan 0.000 0.585 1356 V N 3.281 123.246 119.914 0.085 0.000 2.495 1356 V HA 0.863 4.982 4.120 -0.000 0.000 0.298 1356 V C -0.287 175.979 176.094 0.287 0.000 1.031 1356 V CA 0.084 62.480 62.300 0.160 0.000 0.871 1356 V CB 1.353 33.224 31.823 0.080 0.000 0.988 1356 V HN 1.071 nan 8.190 nan 0.000 0.432 1357 T N 3.748 118.511 114.554 0.349 0.000 2.802 1357 T HA 0.504 4.854 4.350 -0.000 0.000 0.311 1357 T C 0.234 174.983 174.700 0.083 0.000 1.405 1357 T CA -0.569 61.678 62.100 0.244 0.000 1.016 1357 T CB 2.133 71.061 68.868 0.100 0.000 1.352 1357 T HN 0.814 nan 8.240 nan 0.000 0.498 1358 R N 0.605 120.983 120.500 -0.203 0.000 2.362 1358 R HA 0.253 4.593 4.340 -0.000 0.000 0.227 1358 R C 0.426 176.632 176.300 -0.157 0.000 0.905 1358 R CA -0.376 55.535 56.100 -0.315 0.000 1.067 1358 R CB 0.364 30.300 30.300 -0.607 0.000 1.078 1358 R HN 0.435 nan 8.270 nan 0.000 0.516 1359 Q N 1.184 120.928 119.800 -0.094 0.000 2.352 1359 Q HA 0.176 4.516 4.340 -0.000 0.000 0.260 1359 Q C -0.555 175.415 176.000 -0.050 0.000 0.976 1359 Q CA 0.320 56.087 55.803 -0.061 0.000 0.881 1359 Q CB 1.953 30.670 28.738 -0.035 0.000 1.235 1359 Q HN -0.071 nan 8.270 nan 0.000 0.419 1360 V N 1.814 121.701 119.914 -0.045 0.000 2.443 1360 V HA 0.171 4.291 4.120 -0.000 0.000 0.293 1360 V C 0.145 176.221 176.094 -0.031 0.000 1.021 1360 V CA -0.656 61.617 62.300 -0.045 0.000 0.848 1360 V CB 1.890 33.688 31.823 -0.041 0.000 0.998 1360 V HN 0.799 nan 8.190 nan 0.000 0.424 1361 S N 3.136 118.826 115.700 -0.016 0.000 2.572 1361 S HA 0.147 4.617 4.470 -0.000 0.000 0.279 1361 S C 1.473 176.057 174.600 -0.027 0.000 1.341 1361 S CA -0.006 58.195 58.200 0.001 0.000 1.043 1361 S CB 1.472 64.704 63.200 0.053 0.000 0.887 1361 S HN 1.081 nan 8.310 nan 0.000 0.516 1362 V N 2.635 122.502 119.914 -0.077 0.000 2.688 1362 V HA 0.045 4.165 4.120 -0.000 0.000 0.256 1362 V C 0.534 176.450 176.094 -0.296 0.000 1.084 1362 V CA 1.155 63.346 62.300 -0.182 0.000 1.103 1362 V CB -1.245 30.431 31.823 -0.246 0.000 0.688 1362 V HN 0.699 nan 8.190 nan 0.000 0.480 1363 F N 2.172 122.113 119.950 -0.016 0.000 2.351 1363 F HA 0.692 5.219 4.527 -0.000 0.000 0.362 1363 F C 1.713 177.497 175.800 -0.027 0.000 1.131 1363 F CA -0.464 57.526 58.000 -0.017 0.000 1.187 1363 F CB 0.502 39.493 39.000 -0.014 0.000 1.434 1363 F HN 0.057 nan 8.300 nan 0.000 0.553 1364 G N 2.466 111.332 108.800 0.110 0.000 2.505 1364 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.220 1364 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.220 1364 G C 1.676 176.579 174.900 0.005 0.000 1.145 1364 G CA 0.644 45.760 45.100 0.026 0.000 0.761 1364 G HN 0.465 nan 8.290 nan 0.000 0.571 1365 K N -0.300 120.123 120.400 0.038 0.000 2.486 1365 K HA 0.089 4.409 4.320 -0.000 0.000 0.194 1365 K C 1.264 177.868 176.600 0.007 0.000 1.033 1365 K CA -0.344 55.945 56.287 0.004 0.000 1.004 1365 K CB 0.164 32.671 32.500 0.011 0.000 0.798 1365 K HN 0.143 nan 8.250 nan 0.000 0.495 1366 R N 1.037 121.560 120.500 0.039 0.000 2.340 1366 R HA 0.077 4.417 4.340 -0.000 0.000 0.300 1366 R C -0.674 175.637 176.300 0.018 0.000 1.069 1366 R CA -0.290 55.827 56.100 0.027 0.000 0.984 1366 R CB 0.688 31.024 30.300 0.060 0.000 1.003 1366 R HN 0.094 nan 8.270 nan 0.000 0.459 1367 C N 5.678 124.982 119.300 0.006 0.000 2.593 1367 C HA 0.185 4.645 4.460 -0.000 0.000 0.409 1367 C C 1.625 176.623 174.990 0.013 0.000 1.304 1367 C CA -0.510 58.511 59.018 0.006 0.000 2.007 1367 C CB -0.554 27.188 27.740 0.002 0.000 2.614 1367 C HN 0.972 nan 8.230 nan 0.000 0.585 1368 L N 3.939 125.171 121.223 0.014 0.000 2.599 1368 L HA 0.104 4.444 4.340 -0.000 0.000 0.230 1368 L C 0.944 177.823 176.870 0.015 0.000 1.141 1368 L CA 0.208 55.058 54.840 0.017 0.000 0.877 1368 L CB -0.713 41.354 42.059 0.015 0.000 1.009 1368 L HN 0.735 nan 8.230 nan 0.000 0.447 1369 N N 0.912 119.620 118.700 0.013 0.000 2.431 1369 N HA -0.047 4.693 4.740 -0.000 0.000 0.265 1369 N C -0.242 175.273 175.510 0.008 0.000 1.184 1369 N CA -0.162 52.895 53.050 0.011 0.000 0.943 1369 N CB 0.367 38.860 38.487 0.010 0.000 1.080 1369 N HN 0.005 nan 8.380 nan 0.000 0.477 1370 D N 3.340 123.745 120.400 0.008 0.000 2.854 1370 D HA -0.068 4.572 4.640 -0.000 0.000 0.243 1370 D C 1.190 177.492 176.300 0.003 0.000 1.243 1370 D CA 1.586 55.590 54.000 0.006 0.000 0.883 1370 D CB -0.017 40.787 40.800 0.006 0.000 1.145 1370 D HN 0.929 nan 8.370 nan 0.000 0.555 1371 G N 2.796 111.596 108.800 0.000 0.000 2.162 1371 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.260 1371 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.260 1371 G C 0.726 175.622 174.900 -0.006 0.000 0.976 1371 G CA 0.240 45.337 45.100 -0.004 0.000 0.655 1371 G HN 0.733 nan 8.290 nan 0.000 0.533 1372 C N 1.884 121.182 119.300 -0.004 0.000 2.632 1372 C HA 0.634 5.094 4.460 -0.000 0.000 0.415 1372 C C 2.131 177.115 174.990 -0.009 0.000 1.332 1372 C CA 0.988 60.004 59.018 -0.004 0.000 1.874 1372 C CB 0.125 27.865 27.740 -0.000 0.000 2.596 1372 C HN 0.921 nan 8.230 nan 0.000 0.590 1373 T N 2.709 117.256 114.554 -0.011 0.000 3.145 1373 T HA 0.286 4.636 4.350 -0.000 0.000 0.255 1373 T C 0.801 175.492 174.700 -0.015 0.000 1.039 1373 T CA 0.334 62.424 62.100 -0.017 0.000 0.928 1373 T CB -0.218 68.640 68.868 -0.018 0.000 1.029 1373 T HN 0.970 nan 8.240 nan 0.000 0.554 1374 G N 0.953 109.747 108.800 -0.010 0.000 2.606 1374 G HA2 0.490 4.450 3.960 -0.000 0.000 0.252 1374 G HA3 0.490 4.450 3.960 -0.000 0.000 0.252 1374 G C -0.624 174.271 174.900 -0.010 0.000 1.206 1374 G CA -0.487 44.608 45.100 -0.008 0.000 0.861 1374 G HN 0.365 nan 8.290 nan 0.000 0.561 1375 V N 2.516 122.425 119.914 -0.008 0.000 2.427 1375 V HA 0.321 4.441 4.120 -0.000 0.000 0.286 1375 V C 0.235 176.320 176.094 -0.014 0.000 1.034 1375 V CA -0.768 61.525 62.300 -0.011 0.000 0.893 1375 V CB 1.508 33.327 31.823 -0.007 0.000 0.982 1375 V HN 0.586 nan 8.190 nan 0.000 0.452 1376 M N 5.060 124.644 119.600 -0.027 0.000 2.216 1376 M HA 0.553 5.033 4.480 -0.000 0.000 0.356 1376 M C -0.207 176.048 176.300 -0.075 0.000 1.205 1376 M CA 0.039 55.310 55.300 -0.049 0.000 1.122 1376 M CB 0.961 33.520 32.600 -0.069 0.000 1.571 1376 M HN 0.586 nan 8.290 nan 0.000 0.464 1377 R N 1.379 121.837 120.500 -0.069 0.000 2.673 1377 R HA 0.432 4.772 4.340 -0.000 0.000 0.281 1377 R C -1.391 174.874 176.300 -0.059 0.000 0.991 1377 R CA -0.824 55.242 56.100 -0.056 0.000 0.896 1377 R CB 1.751 32.068 30.300 0.028 0.000 1.201 1377 R HN 0.395 nan 8.270 nan 0.000 0.457 1378 Y N 2.360 122.693 120.300 0.055 0.000 2.881 1378 Y HA -0.180 4.370 4.550 -0.000 0.000 0.335 1378 Y C 1.735 177.700 175.900 0.107 0.000 1.263 1378 Y CA 0.629 58.768 58.100 0.065 0.000 1.572 1378 Y CB 0.289 38.761 38.460 0.020 0.000 1.237 1378 Y HN 0.587 nan 8.280 nan 0.000 0.568 1379 K N 2.487 123.070 120.400 0.306 0.000 2.148 1379 K HA -0.151 4.169 4.320 -0.000 0.000 0.204 1379 K C -0.051 176.701 176.600 0.254 0.000 1.050 1379 K CA 0.901 57.323 56.287 0.225 0.000 0.942 1379 K CB 0.041 32.665 32.500 0.206 0.000 0.724 1379 K HN 0.569 nan 8.250 nan 0.000 0.446 1380 Y N 2.125 122.537 120.300 0.186 0.000 2.841 1380 Y HA 0.195 4.745 4.550 -0.000 0.000 0.329 1380 Y C -0.605 175.426 175.900 0.218 0.000 1.062 1380 Y CA -1.928 56.282 58.100 0.183 0.000 1.281 1380 Y CB -0.235 38.348 38.460 0.206 0.000 1.147 1380 Y HN 0.029 nan 8.280 nan 0.000 0.521 1381 S N 1.287 117.255 115.700 0.448 0.000 2.584 1381 S HA -0.001 4.469 4.470 -0.000 0.000 0.270 1381 S C 0.967 175.766 174.600 0.332 0.000 1.346 1381 S CA -0.090 58.307 58.200 0.328 0.000 1.018 1381 S CB 0.949 64.292 63.200 0.239 0.000 0.899 1381 S HN 0.616 nan 8.310 nan 0.000 0.542 1382 D N 0.461 121.020 120.400 0.265 0.000 2.219 1382 D HA -0.141 4.499 4.640 -0.000 0.000 0.205 1382 D C 1.470 177.831 176.300 0.101 0.000 0.970 1382 D CA 1.006 55.094 54.000 0.147 0.000 0.851 1382 D CB -0.239 40.627 40.800 0.110 0.000 0.943 1382 D HN 0.670 nan 8.370 nan 0.000 0.488 1383 K N 0.043 120.532 120.400 0.149 0.000 2.097 1383 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 1383 K C 2.173 178.888 176.600 0.192 0.000 1.049 1383 K CA 1.120 57.513 56.287 0.176 0.000 0.933 1383 K CB 0.030 32.617 32.500 0.145 0.000 0.717 1383 K HN 0.127 nan 8.250 nan 0.000 0.442 1384 Q N 0.220 120.146 119.800 0.210 0.000 2.079 1384 Q HA -0.139 4.201 4.340 -0.000 0.000 0.200 1384 Q C 2.062 178.214 176.000 0.253 0.000 0.974 1384 Q CA 1.219 57.165 55.803 0.237 0.000 0.840 1384 Q CB -0.045 28.884 28.738 0.318 0.000 0.898 1384 Q HN 0.210 nan 8.270 nan 0.000 0.430 1385 L N -0.431 120.901 121.223 0.182 0.000 2.046 1385 L HA -0.194 4.146 4.340 -0.000 0.000 0.208 1385 L C 2.102 178.932 176.870 -0.066 0.000 1.077 1385 L CA 1.735 56.513 54.840 -0.103 0.000 0.747 1385 L CB -0.647 41.017 42.059 -0.657 0.000 0.896 1385 L HN 0.253 nan 8.230 nan 0.000 0.432 1386 Y N 0.462 120.684 120.300 -0.129 0.000 2.181 1386 Y HA -0.242 4.308 4.550 -0.000 0.000 0.288 1386 Y C 2.434 178.324 175.900 -0.017 0.000 1.146 1386 Y CA 1.895 59.950 58.100 -0.075 0.000 1.164 1386 Y CB -0.500 37.938 38.460 -0.037 0.000 0.982 1386 Y HN 0.341 nan 8.280 nan 0.000 0.515 1387 N N 0.347 119.025 118.700 -0.036 0.000 2.104 1387 N HA -0.214 4.526 4.740 -0.000 0.000 0.190 1387 N C 1.842 177.262 175.510 -0.150 0.000 1.024 1387 N CA 1.611 54.638 53.050 -0.038 0.000 0.853 1387 N CB -0.551 37.991 38.487 0.092 0.000 1.008 1387 N HN 0.469 nan 8.380 nan 0.000 0.424 1388 Q N 0.841 120.519 119.800 -0.203 0.000 2.119 1388 Q HA 0.069 4.409 4.340 -0.000 0.000 0.201 1388 Q C 1.970 177.622 176.000 -0.579 0.000 0.972 1388 Q CA 1.081 56.628 55.803 -0.428 0.000 0.847 1388 Q CB -0.228 28.248 28.738 -0.436 0.000 0.903 1388 Q HN 0.383 nan 8.270 nan 0.000 0.433 1389 L N -0.488 120.509 121.223 -0.376 0.000 2.156 1389 L HA -0.075 4.265 4.340 -0.000 0.000 0.208 1389 L C 2.215 178.975 176.870 -0.183 0.000 1.095 1389 L CA 0.575 55.271 54.840 -0.240 0.000 0.770 1389 L CB -0.374 41.636 42.059 -0.082 0.000 0.914 1389 L HN 0.234 nan 8.230 nan 0.000 0.439 1390 L N -1.278 119.786 121.223 -0.265 0.000 2.141 1390 L HA -0.241 4.099 4.340 -0.000 0.000 0.209 1390 L C 2.605 179.286 176.870 -0.315 0.000 1.094 1390 L CA 1.138 55.859 54.840 -0.198 0.000 0.763 1390 L CB -0.497 41.482 42.059 -0.135 0.000 0.908 1390 L HN 0.250 nan 8.230 nan 0.000 0.437 1391 Y N -0.197 119.611 120.300 -0.821 0.000 2.184 1391 Y HA -0.233 4.317 4.550 -0.000 0.000 0.290 1391 Y C 2.317 177.989 175.900 -0.380 0.000 1.129 1391 Y CA 1.216 58.593 58.100 -1.204 0.000 1.144 1391 Y CB -0.326 37.394 38.460 -1.234 0.000 0.995 1391 Y HN -0.045 nan 8.280 nan 0.000 0.513 1392 F N 1.122 120.786 119.950 -0.476 0.000 2.120 1392 F HA -0.203 4.324 4.527 -0.000 0.000 0.300 1392 F C 2.381 178.092 175.800 -0.148 0.000 1.095 1392 F CA 1.630 59.439 58.000 -0.317 0.000 1.249 1392 F CB -1.446 37.509 39.000 -0.075 0.000 0.995 1392 F HN 0.234 nan 8.300 nan 0.000 0.480 1393 D N -0.057 120.400 120.400 0.095 0.000 2.123 1393 D HA -0.181 4.459 4.640 -0.000 0.000 0.196 1393 D C 2.334 178.660 176.300 0.044 0.000 0.992 1393 D CA 1.815 55.880 54.000 0.109 0.000 0.833 1393 D CB -0.136 40.704 40.800 0.066 0.000 0.954 1393 D HN 0.210 nan 8.370 nan 0.000 0.455 1394 S N -0.295 115.366 115.700 -0.066 0.000 2.400 1394 S HA -0.161 4.309 4.470 -0.000 0.000 0.232 1394 S C 2.221 176.730 174.600 -0.153 0.000 1.025 1394 S CA 0.856 59.026 58.200 -0.049 0.000 0.993 1394 S CB -0.831 62.390 63.200 0.036 0.000 0.808 1394 S HN 0.409 nan 8.310 nan 0.000 0.478 1395 L N -0.918 120.095 121.223 -0.350 0.000 2.191 1395 L HA 0.048 4.388 4.340 -0.000 0.000 0.212 1395 L C 1.334 177.850 176.870 -0.590 0.000 1.103 1395 L CA 1.217 55.713 54.840 -0.572 0.000 0.769 1395 L CB -0.541 41.001 42.059 -0.862 0.000 0.908 1395 L HN 0.336 nan 8.230 nan 0.000 0.438 1396 F N -1.709 118.250 119.950 0.015 0.000 2.668 1396 F HA 0.192 4.719 4.527 -0.000 0.000 0.301 1396 F C 0.606 176.419 175.800 0.023 0.000 1.106 1396 F CA -0.731 57.289 58.000 0.034 0.000 1.289 1396 F CB 0.188 39.189 39.000 0.003 0.000 1.006 1396 F HN -0.120 nan 8.300 nan 0.000 0.535 1397 D N 0.153 120.610 120.400 0.096 0.000 2.347 1397 D HA 0.127 4.767 4.640 -0.000 0.000 0.235 1397 D C 1.031 177.366 176.300 0.058 0.000 1.149 1397 D CA 0.029 54.076 54.000 0.078 0.000 0.850 1397 D CB 1.214 42.049 40.800 0.059 0.000 1.061 1397 D HN 0.134 nan 8.370 nan 0.000 0.487 1398 C N 3.308 122.648 119.300 0.066 0.000 2.436 1398 C HA -0.094 4.366 4.460 -0.000 0.000 0.277 1398 C C 2.444 177.458 174.990 0.040 0.000 1.241 1398 C CA 0.285 59.335 59.018 0.055 0.000 1.721 1398 C CB -0.490 27.284 27.740 0.056 0.000 2.043 1398 C HN 0.739 nan 8.230 nan 0.000 0.472 1399 E N 0.834 121.057 120.200 0.039 0.000 2.097 1399 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 1399 E C 2.126 178.743 176.600 0.029 0.000 1.000 1399 E CA 1.383 57.802 56.400 0.032 0.000 0.804 1399 E CB -0.122 29.597 29.700 0.032 0.000 0.740 1399 E HN 0.601 nan 8.360 nan 0.000 0.454 1400 K N 0.104 120.522 120.400 0.031 0.000 2.057 1400 K HA -0.057 4.263 4.320 -0.000 0.000 0.206 1400 K C 2.048 178.658 176.600 0.016 0.000 1.050 1400 K CA 0.814 57.118 56.287 0.028 0.000 0.935 1400 K CB -0.082 32.441 32.500 0.039 0.000 0.715 1400 K HN 0.130 nan 8.250 nan 0.000 0.439 1401 N N 1.028 119.734 118.700 0.009 0.000 2.069 1401 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 1401 N C 1.623 177.138 175.510 0.008 0.000 1.031 1401 N CA 1.300 54.349 53.050 -0.002 0.000 0.852 1401 N CB 0.021 38.508 38.487 0.001 0.000 1.018 1401 N HN 0.204 nan 8.380 nan 0.000 0.423 1402 K N 1.202 121.613 120.400 0.017 0.000 2.057 1402 K HA -0.044 4.276 4.320 -0.000 0.000 0.206 1402 K C 1.683 178.292 176.600 0.015 0.000 1.050 1402 K CA 0.983 57.281 56.287 0.018 0.000 0.935 1402 K CB 0.006 32.519 32.500 0.022 0.000 0.715 1402 K HN 0.123 nan 8.250 nan 0.000 0.439 1403 K N 0.854 121.264 120.400 0.016 0.000 2.555 1403 K HA -0.054 4.266 4.320 -0.000 0.000 0.193 1403 K C -0.092 176.516 176.600 0.013 0.000 1.032 1403 K CA 0.332 56.628 56.287 0.014 0.000 1.004 1403 K CB 0.089 32.598 32.500 0.016 0.000 0.804 1403 K HN 0.162 nan 8.250 nan 0.000 0.496 1404 Q N 0.132 119.939 119.800 0.012 0.000 2.468 1404 Q HA -0.222 4.118 4.340 -0.000 0.000 0.289 1404 Q C -0.531 175.480 176.000 0.018 0.000 1.299 1404 Q CA 0.570 56.380 55.803 0.011 0.000 0.838 1404 Q CB -1.243 27.501 28.738 0.011 0.000 1.195 1404 Q HN 0.437 nan 8.270 nan 0.000 0.456 1405 E N -0.138 120.075 120.200 0.022 0.000 2.465 1405 E HA 0.136 4.486 4.350 -0.000 0.000 0.195 1405 E C 0.071 176.705 176.600 0.056 0.000 1.028 1405 E CA -0.146 56.273 56.400 0.031 0.000 0.899 1405 E CB 0.389 30.106 29.700 0.028 0.000 1.032 1405 E HN 0.384 nan 8.360 nan 0.000 0.468 1406 L N 1.449 122.701 121.223 0.047 0.000 2.436 1406 L HA 0.192 4.532 4.340 -0.000 0.000 0.265 1406 L C 0.685 177.618 176.870 0.105 0.000 1.168 1406 L CA -0.427 54.456 54.840 0.072 0.000 0.815 1406 L CB 0.429 42.481 42.059 -0.011 0.000 1.109 1406 L HN -0.053 nan 8.230 nan 0.000 0.462 1407 K N 3.953 124.470 120.400 0.194 0.000 2.378 1407 K HA 0.180 4.500 4.320 -0.000 0.000 0.288 1407 K C -2.140 174.532 176.600 0.119 0.000 1.057 1407 K CA -1.355 55.044 56.287 0.187 0.000 0.971 1407 K CB 0.584 33.263 32.500 0.299 0.000 0.975 1407 K HN 0.306 nan 8.250 nan 0.000 0.475 1408 P HA 0.028 nan 4.420 nan 0.000 0.271 1408 P C 0.513 177.816 177.300 0.006 0.000 1.216 1408 P CA 0.062 63.193 63.100 0.052 0.000 0.771 1408 P CB 0.658 32.411 31.700 0.089 0.000 0.864 1409 I N 0.951 121.461 120.570 -0.100 0.000 2.876 1409 I HA -0.071 4.099 4.170 -0.000 0.000 0.264 1409 I C 0.212 176.108 176.117 -0.370 0.000 1.204 1409 I CA 1.043 62.150 61.300 -0.323 0.000 1.485 1409 I CB -0.194 37.419 38.000 -0.643 0.000 1.103 1409 I HN 0.249 nan 8.210 nan 0.000 0.446 1410 Y N 1.293 121.680 120.300 0.146 0.000 2.346 1410 Y HA 0.545 5.095 4.550 -0.000 0.000 0.332 1410 Y C -0.218 175.866 175.900 0.307 0.000 0.985 1410 Y CA -1.102 57.125 58.100 0.212 0.000 1.112 1410 Y CB 1.138 39.698 38.460 0.166 0.000 1.170 1410 Y HN -0.188 nan 8.280 nan 0.000 0.447 1411 L N 5.111 126.539 121.223 0.342 0.000 2.352 1411 L HA 0.442 4.782 4.340 -0.000 0.000 0.269 1411 L C -1.497 175.216 176.870 -0.262 0.000 1.034 1411 L CA -2.124 52.766 54.840 0.084 0.000 0.806 1411 L CB 1.524 43.601 42.059 0.030 0.000 1.244 1411 L HN 0.319 nan 8.230 nan 0.000 0.447 1412 P HA -0.174 nan 4.420 nan 0.000 0.216 1412 P C 0.255 177.265 177.300 -0.485 0.000 1.154 1412 P CA 1.330 63.785 63.100 -1.076 0.000 0.865 1412 P CB 0.165 31.526 31.700 -0.565 0.000 0.789 1413 D N -1.590 118.675 120.400 -0.225 0.000 2.319 1413 D HA 0.019 4.659 4.640 -0.000 0.000 0.230 1413 D C -0.023 176.269 176.300 -0.013 0.000 1.094 1413 D CA 0.286 54.232 54.000 -0.090 0.000 0.856 1413 D CB -0.861 39.903 40.800 -0.060 0.000 0.915 1413 D HN 0.178 nan 8.370 nan 0.000 0.517 1414 D N -0.230 120.189 120.400 0.030 0.000 2.390 1414 D HA 0.067 4.707 4.640 -0.000 0.000 0.249 1414 D C 1.178 177.539 176.300 0.102 0.000 1.144 1414 D CA -0.073 54.000 54.000 0.121 0.000 0.880 1414 D CB 0.943 41.895 40.800 0.254 0.000 1.182 1414 D HN -0.025 nan 8.370 nan 0.000 0.451 1415 L N 2.294 123.565 121.223 0.081 0.000 2.633 1415 L HA -0.046 4.294 4.340 -0.000 0.000 0.235 1415 L C 1.172 178.067 176.870 0.042 0.000 1.163 1415 L CA 0.782 55.656 54.840 0.056 0.000 0.859 1415 L CB -0.082 42.007 42.059 0.051 0.000 0.973 1415 L HN 0.437 nan 8.230 nan 0.000 0.451 1416 D N -1.899 118.520 120.400 0.031 0.000 2.440 1416 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 1416 D C 0.275 176.428 176.300 -0.245 0.000 1.150 1416 D CA -0.487 53.457 54.000 -0.093 0.000 0.832 1416 D CB 0.224 40.981 40.800 -0.072 0.000 0.992 1416 D HN 0.083 nan 8.370 nan 0.000 0.502 1417 Y N 1.647 121.829 120.300 -0.197 0.000 2.620 1417 Y HA 0.255 4.805 4.550 -0.000 0.000 0.330 1417 Y C -2.110 173.664 175.900 -0.209 0.000 1.186 1417 Y CA -1.966 56.026 58.100 -0.181 0.000 1.467 1417 Y CB 0.464 38.889 38.460 -0.059 0.000 1.262 1417 Y HN 0.005 nan 8.280 nan 0.000 0.550 1418 P HA 0.094 nan 4.420 nan 0.000 0.271 1418 P C 0.117 177.117 177.300 -0.499 0.000 1.226 1418 P CA -0.015 62.705 63.100 -0.634 0.000 0.765 1418 P CB 0.870 32.206 31.700 -0.605 0.000 0.835 1419 K N 1.651 121.906 120.400 -0.241 0.000 2.034 1419 K HA -0.172 4.148 4.320 -0.000 0.000 0.214 1419 K C 0.306 176.842 176.600 -0.107 0.000 1.051 1419 K CA 1.592 57.814 56.287 -0.109 0.000 0.931 1419 K CB 0.044 32.491 32.500 -0.089 0.000 0.715 1419 K HN 0.624 nan 8.250 nan 0.000 0.446 1420 E N 0.571 120.680 120.200 -0.153 0.000 2.214 1420 E HA 0.169 4.519 4.350 -0.000 0.000 0.274 1420 E C -0.599 175.914 176.600 -0.145 0.000 0.977 1420 E CA -0.568 55.762 56.400 -0.117 0.000 0.827 1420 E CB 1.447 31.083 29.700 -0.107 0.000 1.130 1420 E HN -0.000 nan 8.360 nan 0.000 0.394 1421 Q N 1.558 121.304 119.800 -0.090 0.000 2.365 1421 Q HA 0.363 4.703 4.340 -0.000 0.000 0.269 1421 Q C -0.550 175.417 176.000 -0.055 0.000 1.061 1421 Q CA -0.787 54.969 55.803 -0.079 0.000 0.816 1421 Q CB 2.153 30.871 28.738 -0.032 0.000 1.325 1421 Q HN 0.487 nan 8.270 nan 0.000 0.446 1422 L N 1.816 123.006 121.223 -0.055 0.000 2.514 1422 L HA 0.042 4.382 4.340 -0.000 0.000 0.280 1422 L C 1.105 177.964 176.870 -0.017 0.000 1.223 1422 L CA 0.338 55.158 54.840 -0.033 0.000 0.864 1422 L CB -0.045 41.998 42.059 -0.028 0.000 1.118 1422 L HN 0.692 nan 8.230 nan 0.000 0.494 1423 T N -1.744 112.803 114.554 -0.010 0.000 2.754 1423 T HA 0.076 4.426 4.350 -0.000 0.000 0.286 1423 T C 0.918 175.618 174.700 0.001 0.000 0.997 1423 T CA -0.604 61.494 62.100 -0.003 0.000 0.982 1423 T CB 1.079 69.946 68.868 -0.002 0.000 1.027 1423 T HN 0.734 nan 8.240 nan 0.000 0.529 1424 E N 0.269 120.471 120.200 0.004 0.000 2.077 1424 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 1424 E C 2.196 178.801 176.600 0.009 0.000 0.989 1424 E CA 1.331 57.735 56.400 0.007 0.000 0.800 1424 E CB -0.291 29.414 29.700 0.007 0.000 0.746 1424 E HN 0.653 nan 8.360 nan 0.000 0.452 1425 S N 0.299 116.004 115.700 0.007 0.000 2.370 1425 S HA -0.162 4.308 4.470 -0.000 0.000 0.226 1425 S C 2.083 176.690 174.600 0.012 0.000 1.033 1425 S CA 1.306 59.511 58.200 0.009 0.000 1.011 1425 S CB -0.197 63.007 63.200 0.006 0.000 0.852 1425 S HN 0.274 nan 8.310 nan 0.000 0.457 1426 S N 1.676 117.383 115.700 0.010 0.000 2.356 1426 S HA -0.006 4.464 4.470 -0.000 0.000 0.223 1426 S C 1.806 176.419 174.600 0.022 0.000 1.032 1426 S CA 1.149 59.357 58.200 0.015 0.000 1.005 1426 S CB -0.426 62.778 63.200 0.008 0.000 0.867 1426 S HN 0.441 nan 8.310 nan 0.000 0.449 1427 I N 1.344 121.925 120.570 0.018 0.000 2.394 1427 I HA -0.138 4.032 4.170 -0.000 0.000 0.251 1427 I C 2.449 178.583 176.117 0.029 0.000 1.136 1427 I CA 1.003 62.317 61.300 0.023 0.000 1.425 1427 I CB -0.232 37.777 38.000 0.014 0.000 1.079 1427 I HN 0.170 nan 8.210 nan 0.000 0.425 1428 K N 0.973 121.388 120.400 0.025 0.000 1.991 1428 K HA -0.197 4.123 4.320 -0.000 0.000 0.212 1428 K C 2.315 178.935 176.600 0.033 0.000 1.049 1428 K CA 1.785 58.088 56.287 0.027 0.000 0.932 1428 K CB -0.286 32.226 32.500 0.021 0.000 0.717 1428 K HN 0.329 nan 8.250 nan 0.000 0.441 1429 A N 1.207 124.046 122.820 0.033 0.000 1.877 1429 A HA -0.125 4.195 4.320 -0.000 0.000 0.216 1429 A C 2.098 179.716 177.584 0.056 0.000 1.186 1429 A CA 1.231 53.292 52.037 0.039 0.000 0.620 1429 A CB -0.624 18.395 19.000 0.033 0.000 0.822 1429 A HN 0.212 nan 8.150 nan 0.000 0.443 1430 L N -0.599 120.659 121.223 0.060 0.000 2.201 1430 L HA -0.132 4.208 4.340 -0.000 0.000 0.212 1430 L C 2.531 179.446 176.870 0.076 0.000 1.105 1430 L CA 1.622 56.508 54.840 0.077 0.000 0.775 1430 L CB -0.566 41.538 42.059 0.074 0.000 0.913 1430 L HN 0.379 nan 8.230 nan 0.000 0.440 1431 T N -1.726 112.866 114.554 0.063 0.000 2.937 1431 T HA -0.055 4.294 4.350 -0.000 0.000 0.260 1431 T C 1.704 176.439 174.700 0.059 0.000 1.051 1431 T CA 0.567 62.705 62.100 0.064 0.000 1.141 1431 T CB 0.060 68.959 68.868 0.052 0.000 0.879 1431 T HN 0.169 nan 8.240 nan 0.000 0.459 1432 E N 1.377 121.608 120.200 0.052 0.000 2.208 1432 E HA -0.008 4.342 4.350 -0.000 0.000 0.193 1432 E C 2.327 178.959 176.600 0.053 0.000 0.988 1432 E CA 0.744 57.172 56.400 0.047 0.000 0.828 1432 E CB -0.114 29.610 29.700 0.039 0.000 0.763 1432 E HN 0.420 nan 8.360 nan 0.000 0.478 1433 Q N 0.012 119.850 119.800 0.064 0.000 2.212 1433 Q HA 0.085 4.425 4.340 -0.000 0.000 0.199 1433 Q C 1.077 177.121 176.000 0.074 0.000 0.950 1433 Q CA 0.485 56.333 55.803 0.076 0.000 0.863 1433 Q CB 0.092 28.892 28.738 0.102 0.000 0.944 1433 Q HN 0.300 nan 8.270 nan 0.000 0.465 1434 N N 0.699 119.444 118.700 0.074 0.000 2.235 1434 N HA 0.038 4.778 4.740 -0.000 0.000 0.209 1434 N C 1.333 176.883 175.510 0.066 0.000 1.122 1434 N CA -0.105 52.987 53.050 0.069 0.000 0.845 1434 N CB 0.496 39.033 38.487 0.083 0.000 1.004 1434 N HN 0.198 nan 8.380 nan 0.000 0.499 1435 R N 1.841 122.377 120.500 0.060 0.000 2.119 1435 R HA -0.181 4.159 4.340 -0.000 0.000 0.246 1435 R C 1.400 177.726 176.300 0.043 0.000 1.146 1435 R CA 1.670 57.803 56.100 0.054 0.000 0.962 1435 R CB 0.136 30.463 30.300 0.045 0.000 0.863 1435 R HN 0.281 nan 8.270 nan 0.000 0.442 1436 E N 0.184 120.404 120.200 0.032 0.000 2.031 1436 E HA -0.229 4.121 4.350 -0.000 0.000 0.193 1436 E C 2.029 178.632 176.600 0.005 0.000 0.994 1436 E CA 1.383 57.793 56.400 0.016 0.000 0.800 1436 E CB -0.237 29.470 29.700 0.012 0.000 0.752 1436 E HN 0.224 nan 8.360 nan 0.000 0.447 1437 L N 0.847 122.074 121.223 0.008 0.000 2.013 1437 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 1437 L C 2.187 179.052 176.870 -0.008 0.000 1.073 1437 L CA 1.754 56.586 54.840 -0.013 0.000 0.753 1437 L CB -0.301 41.759 42.059 0.001 0.000 0.890 1437 L HN 0.167 nan 8.230 nan 0.000 0.432 1438 M N -0.920 118.717 119.600 0.063 0.000 2.117 1438 M HA -0.227 4.253 4.480 -0.000 0.000 0.262 1438 M C 2.255 178.598 176.300 0.072 0.000 1.065 1438 M CA 1.727 57.111 55.300 0.139 0.000 1.114 1438 M CB -1.163 31.532 32.600 0.159 0.000 1.361 1438 M HN 0.363 nan 8.290 nan 0.000 0.408 1439 E N -0.255 119.965 120.200 0.033 0.000 2.150 1439 E HA -0.134 4.216 4.350 -0.000 0.000 0.193 1439 E C 1.993 178.573 176.600 -0.034 0.000 0.985 1439 E CA 1.837 58.245 56.400 0.014 0.000 0.814 1439 E CB 0.013 29.722 29.700 0.015 0.000 0.752 1439 E HN 0.649 nan 8.360 nan 0.000 0.466 1440 T N -2.472 112.042 114.554 -0.067 0.000 2.851 1440 T HA -0.014 4.336 4.350 -0.000 0.000 0.262 1440 T C 2.106 176.683 174.700 -0.205 0.000 1.043 1440 T CA 0.859 62.897 62.100 -0.104 0.000 1.140 1440 T CB -0.599 68.219 68.868 -0.083 0.000 0.872 1440 T HN 0.160 nan 8.240 nan 0.000 0.446 1441 G N 1.596 110.195 108.800 -0.334 0.000 2.491 1441 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.218 1441 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.218 1441 G C 1.784 176.325 174.900 -0.598 0.000 1.180 1441 G CA 0.964 45.601 45.100 -0.771 0.000 0.774 1441 G HN 0.571 nan 8.290 nan 0.000 0.562 1442 R N 0.692 121.047 120.500 -0.243 0.000 2.081 1442 R HA -0.107 4.233 4.340 -0.000 0.000 0.235 1442 R C 3.066 179.349 176.300 -0.029 0.000 1.131 1442 R CA 1.825 57.913 56.100 -0.020 0.000 0.960 1442 R CB -0.310 30.043 30.300 0.088 0.000 0.856 1442 R HN 0.496 nan 8.270 nan 0.000 0.436 1443 S N -0.353 115.314 115.700 -0.055 0.000 2.374 1443 S HA -0.156 4.314 4.470 -0.000 0.000 0.227 1443 S C 1.997 176.574 174.600 -0.038 0.000 1.037 1443 S CA 1.659 59.835 58.200 -0.040 0.000 1.024 1443 S CB -0.719 62.451 63.200 -0.050 0.000 0.861 1443 S HN 0.172 nan 8.310 nan 0.000 0.456 1444 V N 1.416 121.293 119.914 -0.061 0.000 2.427 1444 V HA -0.085 4.035 4.120 -0.000 0.000 0.248 1444 V C 2.617 178.781 176.094 0.116 0.000 1.051 1444 V CA 1.475 63.772 62.300 -0.005 0.000 1.048 1444 V CB -0.620 31.172 31.823 -0.051 0.000 0.666 1444 V HN 0.482 nan 8.190 nan 0.000 0.456 1445 V N -0.790 119.178 119.914 0.090 0.000 2.453 1445 V HA -0.187 3.933 4.120 -0.000 0.000 0.247 1445 V C 2.517 178.718 176.094 0.178 0.000 1.048 1445 V CA 1.402 63.818 62.300 0.192 0.000 1.049 1445 V CB -0.569 31.364 31.823 0.184 0.000 0.672 1445 V HN 0.483 nan 8.190 nan 0.000 0.457 1446 Q N 0.245 120.101 119.800 0.093 0.000 2.170 1446 Q HA -0.223 4.117 4.340 -0.000 0.000 0.203 1446 Q C 2.259 178.266 176.000 0.011 0.000 0.976 1446 Q CA 1.470 57.309 55.803 0.061 0.000 0.858 1446 Q CB -0.383 28.376 28.738 0.034 0.000 0.907 1446 Q HN 0.661 nan 8.270 nan 0.000 0.433 1447 K N -0.119 120.245 120.400 -0.061 0.000 2.127 1447 K HA -0.210 4.110 4.320 -0.000 0.000 0.208 1447 K C 1.208 177.602 176.600 -0.344 0.000 1.047 1447 K CA 1.597 57.727 56.287 -0.261 0.000 0.927 1447 K CB -0.043 32.190 32.500 -0.445 0.000 0.716 1447 K HN 0.189 nan 8.250 nan 0.000 0.450 1448 Y N -0.553 119.764 120.300 0.029 0.000 2.481 1448 Y HA 0.153 4.703 4.550 -0.000 0.000 0.258 1448 Y C 1.620 177.545 175.900 0.041 0.000 1.103 1448 Y CA -0.034 58.085 58.100 0.031 0.000 1.287 1448 Y CB 0.345 38.826 38.460 0.034 0.000 1.108 1448 Y HN -0.055 nan 8.280 nan 0.000 0.529 1449 L N -0.326 121.004 121.223 0.179 0.000 2.209 1449 L HA -0.123 4.217 4.340 -0.000 0.000 0.207 1449 L C 1.685 178.630 176.870 0.124 0.000 1.094 1449 L CA 0.595 55.537 54.840 0.171 0.000 0.790 1449 L CB -0.226 41.932 42.059 0.165 0.000 0.932 1449 L HN 0.207 nan 8.230 nan 0.000 0.447 1450 N N 0.191 118.933 118.700 0.069 0.000 2.058 1450 N HA -0.244 4.496 4.740 -0.000 0.000 0.191 1450 N C 1.474 176.998 175.510 0.024 0.000 1.037 1450 N CA 1.717 54.789 53.050 0.037 0.000 0.848 1450 N CB -0.515 37.976 38.487 0.006 0.000 1.021 1450 N HN 0.272 nan 8.380 nan 0.000 0.422 1451 D N 0.278 120.689 120.400 0.018 0.000 2.158 1451 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 1451 D C 0.992 177.308 176.300 0.027 0.000 0.995 1451 D CA 0.631 54.644 54.000 0.022 0.000 0.846 1451 D CB 0.036 40.855 40.800 0.031 0.000 0.941 1451 D HN 0.321 nan 8.370 nan 0.000 0.456 1452 C N 0.000 119.323 119.300 0.038 0.000 2.653 1452 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1452 C CA 0.000 59.012 59.018 -0.010 0.000 1.963 1452 C CB 0.000 27.751 27.740 0.019 0.000 2.134 1452 C HN 0.000 nan 8.230 nan 0.000 0.568