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_B 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 0.000 176.000 176.300 -0.500 0.000 2.045 1273 D CA 0.000 53.697 54.000 -0.505 0.000 0.868 1273 D CB 0.000 40.661 40.800 -0.232 0.000 0.688 1274 V N 1.429 121.217 119.914 -0.209 0.000 2.223 1274 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 1274 V C 1.967 177.992 176.094 -0.114 0.000 1.045 1274 V CA 2.251 64.491 62.300 -0.100 0.000 1.000 1274 V CB -0.448 31.346 31.823 -0.048 0.000 0.635 1274 V HN 0.239 nan 8.190 nan 0.000 0.445 1275 E N -0.428 119.699 120.200 -0.122 0.000 2.208 1275 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 1275 E C 2.402 178.929 176.600 -0.122 0.000 0.988 1275 E CA 0.634 56.979 56.400 -0.090 0.000 0.828 1275 E CB -0.163 29.497 29.700 -0.067 0.000 0.763 1275 E HN 0.398 nan 8.360 nan 0.000 0.478 1276 R N 0.170 120.516 120.500 -0.256 0.000 2.120 1276 R HA -0.116 4.224 4.340 -0.000 0.000 0.234 1276 R C 0.959 177.178 176.300 -0.136 0.000 1.123 1276 R CA 1.135 57.060 56.100 -0.291 0.000 0.975 1276 R CB 0.072 30.044 30.300 -0.547 0.000 0.866 1276 R HN 0.120 nan 8.270 nan 0.000 0.446 1277 F N 0.778 120.707 119.950 -0.036 0.000 2.695 1277 F HA 0.174 4.701 4.527 -0.000 0.000 0.303 1277 F C 1.692 177.406 175.800 -0.142 0.000 1.091 1277 F CA -0.187 57.754 58.000 -0.097 0.000 1.300 1277 F CB -0.144 38.822 39.000 -0.058 0.000 1.071 1277 F HN 0.025 nan 8.300 nan 0.000 0.578 1278 K N 0.395 120.822 120.400 0.045 0.000 2.113 1278 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 1278 K C 0.413 176.995 176.600 -0.030 0.000 1.047 1278 K CA 2.293 58.580 56.287 -0.000 0.000 0.928 1278 K CB -0.203 32.292 32.500 -0.009 0.000 0.716 1278 K HN 0.065 nan 8.250 nan 0.000 0.446 1279 D N 1.125 121.507 120.400 -0.030 0.000 2.395 1279 D HA 0.011 4.651 4.640 -0.000 0.000 0.213 1279 D C 0.110 176.355 176.300 -0.092 0.000 1.110 1279 D CA 0.441 54.410 54.000 -0.053 0.000 0.835 1279 D CB 0.536 41.317 40.800 -0.032 0.000 0.965 1279 D HN 0.462 nan 8.370 nan 0.000 0.505 1280 T N -0.611 113.857 114.554 -0.143 0.000 2.748 1280 T HA 0.318 4.668 4.350 -0.000 0.000 0.304 1280 T C 0.694 175.233 174.700 -0.269 0.000 1.041 1280 T CA -0.686 61.262 62.100 -0.253 0.000 1.033 1280 T CB 1.438 70.025 68.868 -0.468 0.000 0.995 1280 T HN -0.068 nan 8.240 nan 0.000 0.536 1281 V N -1.106 118.682 119.914 -0.209 0.000 2.881 1281 V HA 0.788 4.908 4.120 -0.000 0.000 0.316 1281 V C 0.502 176.597 176.094 0.003 0.000 1.070 1281 V CA -0.816 61.436 62.300 -0.081 0.000 0.976 1281 V CB 1.089 32.945 31.823 0.055 0.000 1.038 1281 V HN 1.272 nan 8.190 nan 0.000 0.446 1282 T N 1.439 116.033 114.554 0.068 0.000 2.856 1282 T HA 0.445 4.795 4.350 -0.000 0.000 0.306 1282 T C -0.182 174.732 174.700 0.356 0.000 1.062 1282 T CA -0.329 61.901 62.100 0.216 0.000 1.083 1282 T CB 0.888 69.806 68.868 0.083 0.000 0.984 1282 T HN 1.107 nan 8.240 nan 0.000 0.542 1283 L N 1.413 122.868 121.223 0.387 0.000 2.281 1283 L HA 0.526 4.866 4.340 -0.000 0.000 0.285 1283 L C -0.070 176.834 176.870 0.057 0.000 1.074 1283 L CA -0.251 54.682 54.840 0.155 0.000 0.817 1283 L CB 0.340 42.310 42.059 -0.148 0.000 1.168 1283 L HN 0.803 nan 8.230 nan 0.000 0.434 1284 E N 4.334 124.541 120.200 0.011 0.000 2.156 1284 E HA 0.562 4.912 4.350 -0.000 0.000 0.279 1284 E C -1.327 175.164 176.600 -0.182 0.000 0.965 1284 E CA -0.207 56.150 56.400 -0.072 0.000 0.789 1284 E CB 0.964 30.643 29.700 -0.036 0.000 1.098 1284 E HN 0.672 nan 8.360 nan 0.000 0.397 1285 L N 2.100 123.085 121.223 -0.396 0.000 2.330 1285 L HA 0.586 4.926 4.340 -0.000 0.000 0.271 1285 L C -0.068 176.482 176.870 -0.535 0.000 1.013 1285 L CA -0.953 53.606 54.840 -0.469 0.000 0.816 1285 L CB 2.087 43.756 42.059 -0.650 0.000 1.287 1285 L HN 0.387 nan 8.230 nan 0.000 0.435 1286 S N 0.292 115.842 115.700 -0.251 0.000 2.482 1286 S HA 0.319 4.789 4.470 -0.000 0.000 0.303 1286 S C -0.806 173.773 174.600 -0.036 0.000 1.091 1286 S CA -0.561 57.546 58.200 -0.155 0.000 1.057 1286 S CB 1.379 64.511 63.200 -0.114 0.000 1.031 1286 S HN 0.694 nan 8.310 nan 0.000 0.485 1287 C N 7.219 126.546 119.300 0.046 0.000 2.576 1287 C HA 0.481 4.941 4.460 -0.000 0.000 0.401 1287 C C -1.227 173.649 174.990 -0.189 0.000 1.314 1287 C CA -1.765 57.238 59.018 -0.025 0.000 1.855 1287 C CB -0.017 27.851 27.740 0.213 0.000 2.537 1287 C HN 0.722 nan 8.230 nan 0.000 0.578 1288 P HA -0.086 nan 4.420 nan 0.000 0.218 1288 P C 1.517 178.725 177.300 -0.154 0.000 1.148 1288 P CA 1.541 64.480 63.100 -0.269 0.000 0.822 1288 P CB 0.114 31.605 31.700 -0.347 0.000 0.784 1289 S N -0.580 115.044 115.700 -0.127 0.000 2.348 1289 S HA -0.098 4.372 4.470 -0.000 0.000 0.219 1289 S C 2.059 176.658 174.600 -0.002 0.000 1.033 1289 S CA 1.483 59.652 58.200 -0.051 0.000 0.974 1289 S CB -1.150 62.034 63.200 -0.026 0.000 0.868 1289 S HN 0.393 nan 8.310 nan 0.000 0.459 1290 C N -0.082 119.243 119.300 0.041 0.000 3.230 1290 C HA 0.435 4.895 4.460 -0.000 0.000 0.300 1290 C C 0.136 175.166 174.990 0.067 0.000 1.292 1290 C CA -0.119 58.956 59.018 0.095 0.000 1.707 1290 C CB -0.363 27.511 27.740 0.223 0.000 2.181 1290 C HN 0.426 nan 8.230 nan 0.000 0.655 1291 D N -0.215 120.209 120.400 0.041 0.000 2.876 1291 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 1291 D C -0.015 176.307 176.300 0.037 0.000 1.014 1291 D CA 1.420 55.430 54.000 0.016 0.000 1.012 1291 D CB -1.440 39.359 40.800 -0.001 0.000 1.080 1291 D HN 0.573 nan 8.370 nan 0.000 0.438 1292 K N 1.014 121.468 120.400 0.091 0.000 2.448 1292 K HA 0.180 4.500 4.320 -0.000 0.000 0.278 1292 K C 0.438 177.137 176.600 0.165 0.000 1.009 1292 K CA 0.427 56.791 56.287 0.128 0.000 0.995 1292 K CB 0.554 33.166 32.500 0.186 0.000 0.917 1292 K HN 0.069 nan 8.250 nan 0.000 0.481 1293 R N 3.563 124.109 120.500 0.078 0.000 2.474 1293 R HA 0.509 4.849 4.340 -0.000 0.000 0.295 1293 R C -0.748 175.542 176.300 -0.017 0.000 0.980 1293 R CA -0.748 55.323 56.100 -0.048 0.000 0.934 1293 R CB 0.811 31.073 30.300 -0.065 0.000 1.101 1293 R HN 0.607 nan 8.270 nan 0.000 0.469 1294 F N -0.367 119.535 119.950 -0.081 0.000 2.678 1294 F HA 0.524 5.051 4.527 -0.000 0.000 0.308 1294 F C -2.962 172.820 175.800 -0.031 0.000 1.118 1294 F CA -2.923 54.978 58.000 -0.165 0.000 0.959 1294 F CB 1.365 40.278 39.000 -0.144 0.000 1.305 1294 F HN 0.308 nan 8.300 nan 0.000 0.443 1295 P HA 0.182 nan 4.420 nan 0.000 0.279 1295 P C -1.294 176.219 177.300 0.355 0.000 1.239 1295 P CA 0.182 63.373 63.100 0.153 0.000 0.789 1295 P CB 1.280 32.971 31.700 -0.014 0.000 0.933 1296 F N 2.730 122.700 119.950 0.034 0.000 2.388 1296 F HA 0.577 5.104 4.527 -0.000 0.000 0.358 1296 F C 0.773 176.544 175.800 -0.049 0.000 1.122 1296 F CA -0.142 57.809 58.000 -0.082 0.000 1.056 1296 F CB 1.109 39.927 39.000 -0.303 0.000 1.155 1296 F HN 0.389 nan 8.300 nan 0.000 0.461 1297 G N 3.382 111.869 108.800 -0.522 0.000 3.605 1297 G HA2 0.460 4.420 3.960 -0.000 0.000 0.277 1297 G HA3 0.460 4.420 3.960 -0.000 0.000 0.277 1297 G C 0.504 175.024 174.900 -0.634 0.000 1.093 1297 G CA 0.116 44.967 45.100 -0.414 0.000 0.821 1297 G HN 1.369 nan 8.290 nan 0.000 0.532 1298 G N 0.439 108.430 108.800 -1.347 0.000 2.615 1298 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 1298 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 1298 G C 0.002 174.644 174.900 -0.431 0.000 1.339 1298 G CA -0.464 44.133 45.100 -0.839 0.000 0.884 1298 G HN 0.547 nan 8.290 nan 0.000 0.559 1299 I N 1.947 122.425 120.570 -0.152 0.000 2.268 1299 I HA 0.367 4.537 4.170 -0.000 0.000 0.298 1299 I C 0.913 176.991 176.117 -0.064 0.000 1.185 1299 I CA -0.099 61.186 61.300 -0.025 0.000 1.548 1299 I CB -0.897 37.119 38.000 0.026 0.000 1.492 1299 I HN 0.690 nan 8.210 nan 0.000 0.711 1300 V N 0.414 120.267 119.914 -0.100 0.000 3.160 1300 V HA 0.550 4.670 4.120 -0.000 0.000 0.310 1300 V C 0.199 176.173 176.094 -0.200 0.000 1.181 1300 V CA -0.917 61.310 62.300 -0.121 0.000 1.047 1300 V CB 1.591 33.346 31.823 -0.113 0.000 1.068 1300 V HN 0.331 nan 8.190 nan 0.000 0.441 1301 S N 1.698 117.287 115.700 -0.185 0.000 2.560 1301 S HA 0.547 5.017 4.470 -0.000 0.000 0.284 1301 S C 0.149 174.563 174.600 -0.310 0.000 1.327 1301 S CA 0.339 58.393 58.200 -0.243 0.000 1.055 1301 S CB 0.649 63.727 63.200 -0.202 0.000 0.868 1301 S HN 1.526 nan 8.310 nan 0.000 0.506 1302 S N 1.108 116.575 115.700 -0.389 0.000 2.542 1302 S HA 0.296 4.766 4.470 -0.000 0.000 0.276 1302 S C -0.107 174.288 174.600 -0.343 0.000 1.148 1302 S CA -0.883 57.112 58.200 -0.342 0.000 0.886 1302 S CB 0.631 63.504 63.200 -0.545 0.000 1.109 1302 S HN 0.541 nan 8.310 nan 0.000 0.458 1303 N N 1.875 120.376 118.700 -0.331 0.000 2.550 1303 N HA 0.079 4.819 4.740 -0.000 0.000 0.186 1303 N C 0.429 175.599 175.510 -0.567 0.000 1.110 1303 N CA 0.979 53.764 53.050 -0.442 0.000 0.912 1303 N CB -0.279 37.888 38.487 -0.534 0.000 0.968 1303 N HN 0.666 nan 8.380 nan 0.000 0.448 1304 Y N -1.079 119.106 120.300 -0.192 0.000 2.535 1304 Y HA 0.139 4.689 4.550 -0.000 0.000 0.266 1304 Y C 0.338 176.023 175.900 -0.358 0.000 1.088 1304 Y CA -0.368 57.598 58.100 -0.223 0.000 1.285 1304 Y CB 0.286 38.607 38.460 -0.232 0.000 1.166 1304 Y HN 0.009 nan 8.280 nan 0.000 0.525 1305 Y N -1.235 118.884 120.300 -0.301 0.000 2.655 1305 Y HA 0.730 5.280 4.550 -0.000 0.000 0.336 1305 Y C -1.083 174.750 175.900 -0.111 0.000 1.154 1305 Y CA -2.384 55.547 58.100 -0.282 0.000 1.055 1305 Y CB 1.342 39.527 38.460 -0.457 0.000 1.295 1305 Y HN -0.223 nan 8.280 nan 0.000 0.465 1306 R N 1.799 122.353 120.500 0.089 0.000 2.604 1306 R HA 0.695 5.035 4.340 -0.000 0.000 0.281 1306 R C -2.375 174.051 176.300 0.210 0.000 1.020 1306 R CA -0.850 55.263 56.100 0.021 0.000 0.899 1306 R CB 2.375 32.670 30.300 -0.008 0.000 1.205 1306 R HN 0.745 nan 8.270 nan 0.000 0.450 1307 V N 4.474 124.499 119.914 0.185 0.000 2.334 1307 V HA 0.219 4.339 4.120 -0.000 0.000 0.267 1307 V C 0.485 176.642 176.094 0.105 0.000 1.040 1307 V CA -0.264 62.146 62.300 0.184 0.000 0.866 1307 V CB 0.718 32.667 31.823 0.209 0.000 1.019 1307 V HN 0.895 nan 8.190 nan 0.000 0.468 1308 S N 4.627 120.372 115.700 0.075 0.000 2.719 1308 S HA 0.363 4.833 4.470 -0.000 0.000 0.285 1308 S C 1.012 175.645 174.600 0.055 0.000 1.137 1308 S CA -0.200 58.033 58.200 0.055 0.000 1.012 1308 S CB 0.664 63.860 63.200 -0.007 0.000 1.134 1308 S HN 0.760 nan 8.310 nan 0.000 0.544 1309 Y N 1.056 121.383 120.300 0.046 0.000 2.497 1309 Y HA 0.095 4.645 4.550 -0.000 0.000 0.292 1309 Y C 0.847 176.773 175.900 0.045 0.000 1.137 1309 Y CA 1.278 59.403 58.100 0.041 0.000 1.285 1309 Y CB -0.939 37.539 38.460 0.030 0.000 0.991 1309 Y HN 0.656 nan 8.280 nan 0.000 0.556 1310 N N 0.020 118.342 118.700 -0.629 0.000 2.234 1310 N HA 0.467 5.207 4.740 -0.000 0.000 0.227 1310 N C 0.358 175.772 175.510 -0.159 0.000 1.151 1310 N CA 0.361 53.157 53.050 -0.424 0.000 0.865 1310 N CB 0.964 39.095 38.487 -0.593 0.000 1.066 1310 N HN 0.602 nan 8.380 nan 0.000 0.515 1311 G N -0.139 108.617 108.800 -0.074 0.000 2.331 1311 G HA2 0.059 4.019 3.960 -0.000 0.000 0.402 1311 G HA3 0.059 4.019 3.960 -0.000 0.000 0.402 1311 G C -1.823 173.106 174.900 0.048 0.000 1.275 1311 G CA -0.922 44.182 45.100 0.007 0.000 1.003 1311 G HN 0.273 nan 8.290 nan 0.000 0.500 1312 L N 0.744 122.004 121.223 0.061 0.000 2.418 1312 L HA 0.665 5.005 4.340 -0.000 0.000 0.274 1312 L C 0.447 177.418 176.870 0.169 0.000 1.135 1312 L CA 0.357 55.233 54.840 0.060 0.000 0.870 1312 L CB 0.909 42.848 42.059 -0.200 0.000 1.154 1312 L HN 0.769 nan 8.230 nan 0.000 0.462 1313 Q N 4.627 124.549 119.800 0.204 0.000 2.337 1313 Q HA 0.327 4.667 4.340 -0.000 0.000 0.270 1313 Q C -1.259 174.904 176.000 0.271 0.000 1.043 1313 Q CA -0.783 55.163 55.803 0.238 0.000 0.794 1313 Q CB 1.722 30.538 28.738 0.130 0.000 1.281 1313 Q HN 0.876 nan 8.270 nan 0.000 0.446 1314 C N 4.750 124.257 119.300 0.346 0.000 2.576 1314 C HA 0.230 4.690 4.460 -0.000 0.000 0.401 1314 C C 1.158 176.250 174.990 0.170 0.000 1.314 1314 C CA -0.040 59.167 59.018 0.314 0.000 1.855 1314 C CB -0.380 27.597 27.740 0.394 0.000 2.537 1314 C HN 1.004 nan 8.230 nan 0.000 0.578 1315 K N 2.197 122.658 120.400 0.102 0.000 2.296 1315 K HA -0.085 4.235 4.320 -0.000 0.000 0.200 1315 K C 2.077 178.720 176.600 0.071 0.000 1.048 1315 K CA 0.867 57.179 56.287 0.041 0.000 0.966 1315 K CB -0.215 32.256 32.500 -0.047 0.000 0.754 1315 K HN 0.865 nan 8.250 nan 0.000 0.466 1316 H N -0.007 119.099 119.070 0.060 0.000 2.363 1316 H HA -0.102 4.454 4.556 -0.000 0.000 0.301 1316 H C 1.704 177.066 175.328 0.057 0.000 1.074 1316 H CA 1.794 57.881 56.048 0.064 0.000 1.354 1316 H CB 0.362 30.195 29.762 0.118 0.000 1.397 1316 H HN 0.397 nan 8.280 nan 0.000 0.516 1317 C N -0.246 119.072 119.300 0.029 0.000 3.491 1317 C HA 0.346 4.806 4.460 -0.000 0.000 0.298 1317 C C 0.654 175.648 174.990 0.006 0.000 1.424 1317 C CA 0.065 59.063 59.018 -0.033 0.000 1.772 1317 C CB 0.805 28.582 27.740 0.063 0.000 2.447 1317 C HN 0.564 nan 8.230 nan 0.000 0.670 1318 E N -0.427 119.797 120.200 0.039 0.000 3.916 1318 E HA -0.169 4.181 4.350 -0.000 0.000 0.331 1318 E C -0.351 176.282 176.600 0.056 0.000 0.729 1318 E CA 1.213 57.637 56.400 0.040 0.000 1.222 1318 E CB -1.551 28.154 29.700 0.008 0.000 1.633 1318 E HN 0.748 nan 8.360 nan 0.000 0.437 1319 Q N 0.154 119.995 119.800 0.068 0.000 2.327 1319 Q HA 0.396 4.736 4.340 -0.000 0.000 0.254 1319 Q C 0.653 176.715 176.000 0.104 0.000 0.952 1319 Q CA -0.079 55.754 55.803 0.051 0.000 0.884 1319 Q CB 0.703 29.445 28.738 0.007 0.000 1.224 1319 Q HN 0.256 nan 8.270 nan 0.000 0.422 1320 L N 2.800 124.072 121.223 0.081 0.000 2.326 1320 L HA 0.266 4.606 4.340 -0.000 0.000 0.278 1320 L C -0.129 176.839 176.870 0.163 0.000 1.092 1320 L CA -0.437 54.489 54.840 0.144 0.000 0.810 1320 L CB 0.347 42.444 42.059 0.063 0.000 1.153 1320 L HN 0.438 nan 8.230 nan 0.000 0.439 1321 F N 0.971 120.930 119.950 0.016 0.000 2.471 1321 F HA 0.139 4.666 4.527 -0.000 0.000 0.353 1321 F C 1.201 176.984 175.800 -0.029 0.000 1.113 1321 F CA -0.552 57.443 58.000 -0.009 0.000 1.262 1321 F CB 0.850 39.834 39.000 -0.026 0.000 1.146 1321 F HN 0.431 nan 8.300 nan 0.000 0.578 1322 T N 0.812 115.428 114.554 0.104 0.000 2.849 1322 T HA 0.265 4.615 4.350 -0.000 0.000 0.284 1322 T C -1.924 172.813 174.700 0.061 0.000 1.004 1322 T CA -1.696 60.437 62.100 0.055 0.000 1.021 1322 T CB 1.368 70.239 68.868 0.004 0.000 1.013 1322 T HN 0.271 nan 8.240 nan 0.000 0.527 1323 P HA -0.089 nan 4.420 nan 0.000 0.215 1323 P C 1.686 178.965 177.300 -0.036 0.000 1.157 1323 P CA 0.431 63.517 63.100 -0.023 0.000 0.874 1323 P CB -0.071 31.608 31.700 -0.035 0.000 0.790 1324 L N -0.243 120.964 121.223 -0.028 0.000 2.083 1324 L HA -0.180 4.160 4.340 -0.000 0.000 0.209 1324 L C 2.188 179.041 176.870 -0.029 0.000 1.083 1324 L CA 1.871 56.689 54.840 -0.036 0.000 0.752 1324 L CB -1.393 40.646 42.059 -0.033 0.000 0.899 1324 L HN -0.046 nan 8.230 nan 0.000 0.433 1325 Q N -1.241 118.554 119.800 -0.009 0.000 2.226 1325 Q HA -0.196 4.144 4.340 -0.000 0.000 0.204 1325 Q C 2.028 178.086 176.000 0.098 0.000 0.975 1325 Q CA 1.581 57.384 55.803 0.001 0.000 0.866 1325 Q CB -0.176 28.525 28.738 -0.062 0.000 0.915 1325 Q HN 0.507 nan 8.270 nan 0.000 0.440 1326 L N -0.183 121.094 121.223 0.089 0.000 2.145 1326 L HA -0.059 4.281 4.340 -0.000 0.000 0.201 1326 L C 2.362 179.147 176.870 -0.141 0.000 1.075 1326 L CA 1.999 56.824 54.840 -0.026 0.000 0.773 1326 L CB -0.654 41.305 42.059 -0.167 0.000 0.936 1326 L HN 0.207 nan 8.230 nan 0.000 0.451 1327 T N -3.027 111.441 114.554 -0.144 0.000 2.904 1327 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 1327 T C 2.024 176.666 174.700 -0.097 0.000 1.059 1327 T CA 1.167 63.163 62.100 -0.172 0.000 1.137 1327 T CB -0.965 67.807 68.868 -0.160 0.000 0.879 1327 T HN 0.499 nan 8.240 nan 0.000 0.467 1328 S N 1.845 117.508 115.700 -0.060 0.000 2.399 1328 S HA -0.209 4.261 4.470 -0.000 0.000 0.231 1328 S C 2.201 176.793 174.600 -0.013 0.000 1.022 1328 S CA 1.004 59.188 58.200 -0.027 0.000 0.983 1328 S CB -0.678 62.502 63.200 -0.034 0.000 0.803 1328 S HN 0.673 nan 8.310 nan 0.000 0.480 1329 Q N 0.600 120.371 119.800 -0.048 0.000 2.137 1329 Q HA 0.162 4.502 4.340 -0.000 0.000 0.198 1329 Q C 2.270 178.238 176.000 -0.053 0.000 0.960 1329 Q CA 1.218 56.995 55.803 -0.043 0.000 0.847 1329 Q CB -0.373 28.318 28.738 -0.078 0.000 0.915 1329 Q HN 0.591 nan 8.270 nan 0.000 0.448 1330 I N 0.943 121.434 120.570 -0.132 0.000 2.127 1330 I HA -0.310 3.860 4.170 -0.000 0.000 0.241 1330 I C 2.447 178.516 176.117 -0.080 0.000 1.075 1330 I CA 1.453 62.637 61.300 -0.194 0.000 1.334 1330 I CB -0.227 37.613 38.000 -0.266 0.000 1.040 1330 I HN 0.264 nan 8.210 nan 0.000 0.405 1331 E N 0.191 120.383 120.200 -0.013 0.000 2.077 1331 E HA -0.316 4.034 4.350 -0.000 0.000 0.193 1331 E C 2.153 178.779 176.600 0.044 0.000 0.989 1331 E CA 1.440 57.871 56.400 0.053 0.000 0.800 1331 E CB -0.078 29.687 29.700 0.109 0.000 0.746 1331 E HN 0.518 nan 8.360 nan 0.000 0.452 1332 H N -0.423 118.634 119.070 -0.022 0.000 2.353 1332 H HA -0.041 4.515 4.556 -0.000 0.000 0.300 1332 H C 2.010 177.347 175.328 0.015 0.000 1.090 1332 H CA 2.169 58.212 56.048 -0.009 0.000 1.327 1332 H CB -0.038 29.714 29.762 -0.017 0.000 1.383 1332 H HN 0.054 nan 8.280 nan 0.000 0.508 1333 S N 0.004 115.751 115.700 0.079 0.000 2.368 1333 S HA -0.112 4.358 4.470 -0.000 0.000 0.224 1333 S C 2.282 177.019 174.600 0.229 0.000 1.029 1333 S CA 1.254 59.536 58.200 0.136 0.000 0.988 1333 S CB -0.227 63.087 63.200 0.190 0.000 0.838 1333 S HN 0.389 nan 8.310 nan 0.000 0.462 1334 I N 1.442 122.107 120.570 0.158 0.000 2.118 1334 I HA -0.232 3.938 4.170 -0.000 0.000 0.241 1334 I C 2.628 178.697 176.117 -0.079 0.000 1.070 1334 I CA 1.220 62.564 61.300 0.074 0.000 1.327 1334 I CB -0.258 37.635 38.000 -0.178 0.000 1.034 1334 I HN 0.169 nan 8.210 nan 0.000 0.405 1335 R N 0.693 121.085 120.500 -0.180 0.000 2.148 1335 R HA -0.044 4.296 4.340 -0.000 0.000 0.227 1335 R C 2.235 178.478 176.300 -0.095 0.000 1.103 1335 R CA 1.299 57.298 56.100 -0.168 0.000 0.983 1335 R CB -0.762 29.454 30.300 -0.140 0.000 0.874 1335 R HN 0.398 nan 8.270 nan 0.000 0.451 1336 A N 0.825 123.564 122.820 -0.136 0.000 1.898 1336 A HA -0.157 4.163 4.320 -0.000 0.000 0.216 1336 A C 1.933 179.507 177.584 -0.017 0.000 1.181 1336 A CA 1.096 53.057 52.037 -0.126 0.000 0.620 1336 A CB -0.655 18.224 19.000 -0.202 0.000 0.819 1336 A HN 0.303 nan 8.150 nan 0.000 0.442 1337 H N -0.460 118.638 119.070 0.046 0.000 2.353 1337 H HA -0.054 4.502 4.556 -0.000 0.000 0.300 1337 H C 2.115 177.485 175.328 0.071 0.000 1.090 1337 H CA 1.867 57.997 56.048 0.137 0.000 1.327 1337 H CB -0.146 29.683 29.762 0.112 0.000 1.383 1337 H HN 0.466 nan 8.280 nan 0.000 0.508 1338 I N -0.139 120.491 120.570 0.100 0.000 2.394 1338 I HA -0.225 3.945 4.170 -0.000 0.000 0.251 1338 I C 2.776 179.038 176.117 0.241 0.000 1.136 1338 I CA 0.778 62.117 61.300 0.064 0.000 1.425 1338 I CB -0.134 37.885 38.000 0.032 0.000 1.079 1338 I HN 0.109 nan 8.210 nan 0.000 0.425 1339 S N 0.916 116.726 115.700 0.184 0.000 2.368 1339 S HA -0.152 4.318 4.470 -0.000 0.000 0.224 1339 S C 2.003 176.731 174.600 0.214 0.000 1.029 1339 S CA 1.048 59.365 58.200 0.195 0.000 0.988 1339 S CB -0.258 63.000 63.200 0.096 0.000 0.838 1339 S HN 0.324 nan 8.310 nan 0.000 0.462 1340 L N 1.059 122.411 121.223 0.215 0.000 2.012 1340 L HA -0.059 4.281 4.340 -0.000 0.000 0.210 1340 L C 2.038 179.114 176.870 0.344 0.000 1.073 1340 L CA 2.266 57.277 54.840 0.286 0.000 0.748 1340 L CB -1.341 40.894 42.059 0.293 0.000 0.891 1340 L HN 0.560 nan 8.230 nan 0.000 0.431 1341 Y N -0.892 119.480 120.300 0.120 0.000 2.165 1341 Y HA -0.329 4.221 4.550 -0.000 0.000 0.286 1341 Y C 2.029 177.789 175.900 -0.234 0.000 1.155 1341 Y CA 2.055 60.056 58.100 -0.164 0.000 1.164 1341 Y CB -0.579 37.522 38.460 -0.599 0.000 0.978 1341 Y HN 0.298 nan 8.280 nan 0.000 0.513 1342 Y N -0.082 120.229 120.300 0.018 0.000 2.578 1342 Y HA 0.101 4.651 4.550 -0.000 0.000 0.297 1342 Y C 2.353 178.193 175.900 -0.100 0.000 1.176 1342 Y CA 0.392 58.428 58.100 -0.107 0.000 1.315 1342 Y CB -0.724 37.739 38.460 0.005 0.000 1.031 1342 Y HN 0.294 nan 8.280 nan 0.000 0.524 1343 A N -0.119 122.742 122.820 0.067 0.000 2.015 1343 A HA 0.159 4.479 4.320 -0.000 0.000 0.219 1343 A C 2.157 179.630 177.584 -0.184 0.000 1.163 1343 A CA 1.127 53.139 52.037 -0.041 0.000 0.646 1343 A CB -1.081 17.944 19.000 0.042 0.000 0.806 1343 A HN 0.589 nan 8.150 nan 0.000 0.448 1344 G N -2.304 106.438 108.800 -0.097 0.000 2.225 1344 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.264 1344 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.264 1344 G C -0.134 174.826 174.900 0.099 0.000 1.060 1344 G CA 0.044 45.136 45.100 -0.014 0.000 0.833 1344 G HN 0.481 nan 8.290 nan 0.000 0.498 1345 W N -1.202 120.172 121.300 0.125 0.000 2.193 1345 W HA 0.560 5.220 4.660 -0.000 0.000 0.338 1345 W C 0.735 177.335 176.519 0.135 0.000 1.310 1345 W CA -0.383 57.026 57.345 0.106 0.000 1.243 1345 W CB 0.398 29.904 29.460 0.077 0.000 1.165 1345 W HN 0.201 nan 8.180 nan 0.000 0.566 1346 L N 1.831 123.254 121.223 0.333 0.000 2.354 1346 L HA 0.466 4.806 4.340 -0.000 0.000 0.264 1346 L C -0.265 176.693 176.870 0.146 0.000 1.008 1346 L CA -0.955 53.976 54.840 0.151 0.000 0.819 1346 L CB 1.978 44.028 42.059 -0.015 0.000 1.339 1346 L HN 0.396 nan 8.230 nan 0.000 0.420 1347 Q N 0.516 120.365 119.800 0.082 0.000 2.397 1347 Q HA 0.467 4.807 4.340 -0.000 0.000 0.275 1347 Q C -1.578 174.438 176.000 0.027 0.000 1.090 1347 Q CA -0.650 55.187 55.803 0.057 0.000 0.809 1347 Q CB 2.430 31.197 28.738 0.049 0.000 1.362 1347 Q HN 0.760 nan 8.270 nan 0.000 0.431 1348 C N 3.591 122.904 119.300 0.021 0.000 2.347 1348 C HA 0.215 4.675 4.460 -0.000 0.000 0.353 1348 C C 1.351 176.345 174.990 0.007 0.000 1.273 1348 C CA -0.239 58.785 59.018 0.010 0.000 1.861 1348 C CB -0.111 27.635 27.740 0.009 0.000 2.420 1348 C HN 1.008 nan 8.230 nan 0.000 0.542 1349 D N 1.861 122.264 120.400 0.005 0.000 2.191 1349 D HA -0.147 4.493 4.640 -0.000 0.000 0.190 1349 D C 0.616 176.917 176.300 0.001 0.000 1.007 1349 D CA 1.835 55.837 54.000 0.004 0.000 0.865 1349 D CB -0.159 40.642 40.800 0.001 0.000 0.929 1349 D HN 0.823 nan 8.370 nan 0.000 0.447 1350 D N -0.991 119.409 120.400 -0.000 0.000 2.371 1350 D HA 0.019 4.659 4.640 -0.000 0.000 0.256 1350 D C 1.086 177.385 176.300 -0.001 0.000 1.193 1350 D CA 0.156 54.155 54.000 -0.002 0.000 0.881 1350 D CB 0.934 41.732 40.800 -0.003 0.000 1.143 1350 D HN 0.016 nan 8.370 nan 0.000 0.473 1351 S N 1.673 117.372 115.700 -0.002 0.000 2.399 1351 S HA -0.200 4.270 4.470 -0.000 0.000 0.231 1351 S C 1.685 176.282 174.600 -0.003 0.000 1.022 1351 S CA 1.301 59.499 58.200 -0.003 0.000 0.983 1351 S CB -0.686 62.512 63.200 -0.004 0.000 0.803 1351 S HN 0.594 nan 8.310 nan 0.000 0.480 1352 T N -2.336 112.217 114.554 -0.003 0.000 3.317 1352 T HA 0.277 4.627 4.350 -0.000 0.000 0.250 1352 T C 0.983 175.682 174.700 -0.001 0.000 1.106 1352 T CA 0.213 62.311 62.100 -0.003 0.000 0.986 1352 T CB -0.561 68.306 68.868 -0.003 0.000 1.010 1352 T HN 0.616 nan 8.240 nan 0.000 0.560 1353 C N -0.852 118.448 119.300 -0.001 0.000 3.217 1353 C HA 0.655 5.115 4.460 -0.000 0.000 0.220 1353 C C 2.346 177.338 174.990 0.003 0.000 2.519 1353 C CA 0.973 59.992 59.018 0.002 0.000 1.255 1353 C CB 0.183 27.924 27.740 0.002 0.000 1.291 1353 C HN 0.877 nan 8.230 nan 0.000 0.714 1354 G N 2.298 111.101 108.800 0.004 0.000 2.168 1354 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.263 1354 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.263 1354 G C 0.187 175.093 174.900 0.009 0.000 0.977 1354 G CA 0.684 45.786 45.100 0.003 0.000 0.659 1354 G HN 1.676 nan 8.290 nan 0.000 0.533 1355 I N -0.916 119.664 120.570 0.017 0.000 2.872 1355 I HA 0.506 4.676 4.170 -0.000 0.000 0.291 1355 I C 0.737 176.885 176.117 0.051 0.000 1.216 1355 I CA -0.410 60.908 61.300 0.031 0.000 1.424 1355 I CB 1.084 39.106 38.000 0.037 0.000 1.351 1355 I HN 0.519 nan 8.210 nan 0.000 0.592 1356 V N 3.008 122.965 119.914 0.073 0.000 2.495 1356 V HA 0.871 4.991 4.120 -0.000 0.000 0.298 1356 V C -0.314 175.941 176.094 0.268 0.000 1.031 1356 V CA 0.080 62.464 62.300 0.139 0.000 0.871 1356 V CB 1.375 33.220 31.823 0.037 0.000 0.988 1356 V HN 1.081 nan 8.190 nan 0.000 0.432 1357 T N 3.689 118.450 114.554 0.346 0.000 2.802 1357 T HA 0.514 4.864 4.350 -0.000 0.000 0.311 1357 T C 0.201 174.995 174.700 0.156 0.000 1.405 1357 T CA -0.553 61.707 62.100 0.267 0.000 1.016 1357 T CB 2.200 71.139 68.868 0.119 0.000 1.352 1357 T HN 0.811 nan 8.240 nan 0.000 0.498 1358 R N 0.499 120.940 120.500 -0.099 0.000 2.362 1358 R HA 0.250 4.590 4.340 -0.000 0.000 0.227 1358 R C 0.320 176.552 176.300 -0.113 0.000 0.905 1358 R CA -0.373 55.589 56.100 -0.231 0.000 1.067 1358 R CB 0.375 30.349 30.300 -0.542 0.000 1.078 1358 R HN 0.437 nan 8.270 nan 0.000 0.516 1359 Q N 1.181 120.945 119.800 -0.059 0.000 2.337 1359 Q HA 0.127 4.467 4.340 -0.000 0.000 0.270 1359 Q C -0.528 175.451 176.000 -0.034 0.000 1.002 1359 Q CA 0.415 56.195 55.803 -0.039 0.000 0.888 1359 Q CB 1.692 30.421 28.738 -0.015 0.000 1.222 1359 Q HN -0.061 nan 8.270 nan 0.000 0.400 1360 V N 2.011 121.903 119.914 -0.036 0.000 2.444 1360 V HA 0.198 4.318 4.120 -0.000 0.000 0.294 1360 V C 0.268 176.347 176.094 -0.025 0.000 1.022 1360 V CA -0.667 61.608 62.300 -0.042 0.000 0.850 1360 V CB 1.820 33.616 31.823 -0.045 0.000 0.992 1360 V HN 0.783 nan 8.190 nan 0.000 0.426 1361 S N 3.132 118.827 115.700 -0.008 0.000 2.576 1361 S HA 0.158 4.628 4.470 -0.000 0.000 0.276 1361 S C 1.458 176.052 174.600 -0.010 0.000 1.339 1361 S CA -0.024 58.185 58.200 0.015 0.000 1.039 1361 S CB 1.518 64.758 63.200 0.067 0.000 0.902 1361 S HN 1.081 nan 8.310 nan 0.000 0.516 1362 V N 2.522 122.405 119.914 -0.052 0.000 2.688 1362 V HA 0.063 4.183 4.120 -0.000 0.000 0.256 1362 V C 0.424 176.346 176.094 -0.287 0.000 1.084 1362 V CA 1.142 63.343 62.300 -0.166 0.000 1.103 1362 V CB -1.266 30.431 31.823 -0.210 0.000 0.688 1362 V HN 0.680 nan 8.190 nan 0.000 0.480 1363 F N 1.956 121.894 119.950 -0.020 0.000 2.351 1363 F HA 0.705 5.232 4.527 -0.000 0.000 0.362 1363 F C 1.714 177.494 175.800 -0.034 0.000 1.131 1363 F CA -0.132 57.855 58.000 -0.022 0.000 1.187 1363 F CB 0.653 39.643 39.000 -0.018 0.000 1.434 1363 F HN 0.050 nan 8.300 nan 0.000 0.553 1364 G N 2.717 111.571 108.800 0.091 0.000 2.513 1364 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.219 1364 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.219 1364 G C 1.644 176.539 174.900 -0.009 0.000 1.160 1364 G CA 0.626 45.730 45.100 0.006 0.000 0.767 1364 G HN 0.483 nan 8.290 nan 0.000 0.571 1365 K N -0.136 120.278 120.400 0.023 0.000 2.432 1365 K HA 0.055 4.375 4.320 -0.000 0.000 0.196 1365 K C 1.327 177.928 176.600 0.002 0.000 1.038 1365 K CA -0.269 56.016 56.287 -0.003 0.000 0.986 1365 K CB 0.148 32.652 32.500 0.008 0.000 0.782 1365 K HN 0.174 nan 8.250 nan 0.000 0.485 1366 R N 1.079 121.598 120.500 0.031 0.000 2.340 1366 R HA 0.079 4.419 4.340 -0.000 0.000 0.300 1366 R C -0.710 175.598 176.300 0.013 0.000 1.069 1366 R CA -0.286 55.824 56.100 0.017 0.000 0.984 1366 R CB 0.709 31.032 30.300 0.038 0.000 1.003 1366 R HN 0.061 nan 8.270 nan 0.000 0.459 1367 C N 5.543 124.844 119.300 0.001 0.000 2.593 1367 C HA 0.193 4.653 4.460 -0.000 0.000 0.409 1367 C C 1.692 176.688 174.990 0.010 0.000 1.304 1367 C CA -0.525 58.495 59.018 0.003 0.000 2.007 1367 C CB -0.480 27.260 27.740 -0.000 0.000 2.614 1367 C HN 0.978 nan 8.230 nan 0.000 0.585 1368 L N 3.837 125.068 121.223 0.014 0.000 2.554 1368 L HA 0.080 4.420 4.340 -0.000 0.000 0.226 1368 L C 0.697 177.576 176.870 0.014 0.000 1.137 1368 L CA 0.262 55.112 54.840 0.017 0.000 0.863 1368 L CB -0.601 41.469 42.059 0.018 0.000 0.985 1368 L HN 0.688 nan 8.230 nan 0.000 0.451 1369 N N 1.131 119.838 118.700 0.012 0.000 2.438 1369 N HA -0.026 4.714 4.740 -0.000 0.000 0.267 1369 N C -0.314 175.199 175.510 0.005 0.000 1.222 1369 N CA 0.123 53.178 53.050 0.009 0.000 0.930 1369 N CB 0.152 38.643 38.487 0.007 0.000 1.083 1369 N HN -0.031 nan 8.380 nan 0.000 0.476 1370 D N 1.713 122.116 120.400 0.005 0.000 2.819 1370 D HA 0.074 4.714 4.640 -0.000 0.000 0.236 1370 D C 1.253 177.552 176.300 -0.002 0.000 1.181 1370 D CA 1.994 55.995 54.000 0.002 0.000 0.855 1370 D CB -0.115 40.686 40.800 0.003 0.000 1.146 1370 D HN 0.736 nan 8.370 nan 0.000 0.540 1371 G N 2.666 111.463 108.800 -0.006 0.000 2.179 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 0.702 175.595 174.900 -0.012 0.000 0.977 1371 G CA 0.092 45.185 45.100 -0.011 0.000 0.641 1371 G HN 0.808 nan 8.290 nan 0.000 0.533 1372 C N 2.139 121.434 119.300 -0.009 0.000 2.632 1372 C HA 0.644 5.104 4.460 -0.000 0.000 0.415 1372 C C 2.126 177.108 174.990 -0.014 0.000 1.332 1372 C CA 1.047 60.060 59.018 -0.009 0.000 1.874 1372 C CB 0.183 27.920 27.740 -0.004 0.000 2.596 1372 C HN 0.915 nan 8.230 nan 0.000 0.590 1373 T N 2.691 117.236 114.554 -0.016 0.000 3.105 1373 T HA 0.287 4.637 4.350 -0.000 0.000 0.253 1373 T C 0.822 175.511 174.700 -0.018 0.000 1.047 1373 T CA 0.346 62.433 62.100 -0.021 0.000 0.944 1373 T CB -0.202 68.653 68.868 -0.022 0.000 1.016 1373 T HN 0.987 nan 8.240 nan 0.000 0.544 1374 G N 0.956 109.749 108.800 -0.012 0.000 2.606 1374 G HA2 0.491 4.451 3.960 -0.000 0.000 0.252 1374 G HA3 0.491 4.451 3.960 -0.000 0.000 0.252 1374 G C -0.643 174.250 174.900 -0.011 0.000 1.206 1374 G CA -0.466 44.629 45.100 -0.009 0.000 0.861 1374 G HN 0.352 nan 8.290 nan 0.000 0.561 1375 V N 2.211 122.120 119.914 -0.009 0.000 2.472 1375 V HA 0.347 4.467 4.120 -0.000 0.000 0.290 1375 V C 0.113 176.200 176.094 -0.012 0.000 1.037 1375 V CA -0.822 61.472 62.300 -0.010 0.000 0.908 1375 V CB 1.623 33.442 31.823 -0.007 0.000 0.985 1375 V HN 0.578 nan 8.190 nan 0.000 0.454 1376 M N 4.874 124.460 119.600 -0.024 0.000 2.233 1376 M HA 0.565 5.045 4.480 -0.000 0.000 0.355 1376 M C -0.202 176.060 176.300 -0.063 0.000 1.191 1376 M CA 0.042 55.318 55.300 -0.040 0.000 1.101 1376 M CB 1.076 33.641 32.600 -0.059 0.000 1.592 1376 M HN 0.576 nan 8.290 nan 0.000 0.461 1377 R N 1.475 121.945 120.500 -0.051 0.000 2.673 1377 R HA 0.392 4.732 4.340 -0.000 0.000 0.281 1377 R C -1.424 174.874 176.300 -0.003 0.000 0.991 1377 R CA -0.862 55.217 56.100 -0.035 0.000 0.896 1377 R CB 1.883 32.203 30.300 0.033 0.000 1.201 1377 R HN 0.404 nan 8.270 nan 0.000 0.457 1378 Y N 2.626 122.954 120.300 0.047 0.000 2.802 1378 Y HA -0.161 4.389 4.550 -0.000 0.000 0.333 1378 Y C 1.753 177.712 175.900 0.099 0.000 1.244 1378 Y CA 0.613 58.746 58.100 0.055 0.000 1.558 1378 Y CB 0.283 38.745 38.460 0.003 0.000 1.233 1378 Y HN 0.566 nan 8.280 nan 0.000 0.547 1379 K N 2.727 123.306 120.400 0.298 0.000 2.148 1379 K HA -0.162 4.158 4.320 -0.000 0.000 0.204 1379 K C -0.005 176.735 176.600 0.234 0.000 1.050 1379 K CA 0.931 57.344 56.287 0.210 0.000 0.942 1379 K CB 0.024 32.630 32.500 0.177 0.000 0.724 1379 K HN 0.553 nan 8.250 nan 0.000 0.446 1380 Y N 2.259 122.658 120.300 0.166 0.000 2.804 1380 Y HA 0.169 4.719 4.550 -0.000 0.000 0.330 1380 Y C -0.419 175.596 175.900 0.191 0.000 1.092 1380 Y CA -1.834 56.366 58.100 0.166 0.000 1.315 1380 Y CB -0.236 38.343 38.460 0.198 0.000 1.188 1380 Y HN 0.052 nan 8.280 nan 0.000 0.512 1381 S N 1.285 117.243 115.700 0.430 0.000 2.589 1381 S HA 0.016 4.486 4.470 -0.000 0.000 0.265 1381 S C 0.970 175.747 174.600 0.293 0.000 1.342 1381 S CA -0.027 58.355 58.200 0.303 0.000 1.005 1381 S CB 0.927 64.264 63.200 0.227 0.000 0.909 1381 S HN 0.622 nan 8.310 nan 0.000 0.555 1382 D N 0.270 120.813 120.400 0.239 0.000 2.312 1382 D HA -0.116 4.524 4.640 -0.000 0.000 0.211 1382 D C 1.521 177.861 176.300 0.067 0.000 0.964 1382 D CA 0.890 54.966 54.000 0.127 0.000 0.877 1382 D CB -0.192 40.674 40.800 0.110 0.000 0.924 1382 D HN 0.687 nan 8.370 nan 0.000 0.515 1383 K N 0.293 120.763 120.400 0.118 0.000 2.057 1383 K HA -0.202 4.118 4.320 -0.000 0.000 0.207 1383 K C 2.096 178.805 176.600 0.181 0.000 1.049 1383 K CA 1.185 57.559 56.287 0.146 0.000 0.931 1383 K CB -0.007 32.567 32.500 0.122 0.000 0.714 1383 K HN 0.148 nan 8.250 nan 0.000 0.440 1384 Q N 0.355 120.276 119.800 0.202 0.000 2.079 1384 Q HA -0.152 4.188 4.340 -0.000 0.000 0.200 1384 Q C 2.134 178.281 176.000 0.245 0.000 0.974 1384 Q CA 1.227 57.181 55.803 0.253 0.000 0.840 1384 Q CB -0.094 28.862 28.738 0.364 0.000 0.898 1384 Q HN 0.233 nan 8.270 nan 0.000 0.430 1385 L N -0.309 120.965 121.223 0.086 0.000 2.017 1385 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 1385 L C 2.136 178.934 176.870 -0.120 0.000 1.073 1385 L CA 1.795 56.495 54.840 -0.234 0.000 0.745 1385 L CB -0.712 40.896 42.059 -0.752 0.000 0.894 1385 L HN 0.212 nan 8.230 nan 0.000 0.432 1386 Y N 0.489 120.695 120.300 -0.156 0.000 2.181 1386 Y HA -0.240 4.310 4.550 -0.000 0.000 0.288 1386 Y C 2.420 178.311 175.900 -0.015 0.000 1.146 1386 Y CA 1.965 60.012 58.100 -0.088 0.000 1.164 1386 Y CB -0.410 38.019 38.460 -0.052 0.000 0.982 1386 Y HN 0.352 nan 8.280 nan 0.000 0.515 1387 N N 0.263 118.968 118.700 0.008 0.000 2.166 1387 N HA -0.201 4.539 4.740 -0.000 0.000 0.186 1387 N C 1.804 177.285 175.510 -0.049 0.000 1.019 1387 N CA 1.499 54.575 53.050 0.044 0.000 0.856 1387 N CB -0.525 38.053 38.487 0.152 0.000 0.993 1387 N HN 0.450 nan 8.380 nan 0.000 0.426 1388 Q N 0.835 120.537 119.800 -0.164 0.000 2.079 1388 Q HA 0.080 4.420 4.340 -0.000 0.000 0.200 1388 Q C 1.958 177.597 176.000 -0.602 0.000 0.974 1388 Q CA 1.079 56.638 55.803 -0.407 0.000 0.840 1388 Q CB -0.253 28.206 28.738 -0.464 0.000 0.898 1388 Q HN 0.374 nan 8.270 nan 0.000 0.430 1389 L N -0.496 120.475 121.223 -0.421 0.000 2.156 1389 L HA -0.076 4.264 4.340 -0.000 0.000 0.208 1389 L C 2.211 178.948 176.870 -0.221 0.000 1.095 1389 L CA 0.610 55.270 54.840 -0.300 0.000 0.770 1389 L CB -0.319 41.642 42.059 -0.164 0.000 0.914 1389 L HN 0.262 nan 8.230 nan 0.000 0.439 1390 L N -1.421 119.633 121.223 -0.282 0.000 2.217 1390 L HA -0.230 4.110 4.340 -0.000 0.000 0.211 1390 L C 2.577 179.283 176.870 -0.274 0.000 1.107 1390 L CA 0.993 55.720 54.840 -0.188 0.000 0.783 1390 L CB -0.417 41.570 42.059 -0.120 0.000 0.919 1390 L HN 0.263 nan 8.230 nan 0.000 0.442 1391 Y N 0.007 119.875 120.300 -0.720 0.000 2.133 1391 Y HA -0.253 4.297 4.550 -0.000 0.000 0.287 1391 Y C 2.347 178.030 175.900 -0.361 0.000 1.134 1391 Y CA 1.299 58.736 58.100 -1.105 0.000 1.133 1391 Y CB -0.371 37.431 38.460 -1.096 0.000 0.987 1391 Y HN -0.037 nan 8.280 nan 0.000 0.502 1392 F N 1.109 120.788 119.950 -0.452 0.000 2.120 1392 F HA -0.225 4.302 4.527 -0.000 0.000 0.300 1392 F C 2.386 178.078 175.800 -0.179 0.000 1.095 1392 F CA 1.715 59.523 58.000 -0.321 0.000 1.249 1392 F CB -1.435 37.522 39.000 -0.073 0.000 0.995 1392 F HN 0.248 nan 8.300 nan 0.000 0.480 1393 D N -0.097 120.344 120.400 0.068 0.000 2.117 1393 D HA -0.165 4.475 4.640 -0.000 0.000 0.197 1393 D C 2.307 178.611 176.300 0.007 0.000 0.987 1393 D CA 1.682 55.734 54.000 0.086 0.000 0.829 1393 D CB -0.145 40.679 40.800 0.040 0.000 0.961 1393 D HN 0.215 nan 8.370 nan 0.000 0.460 1394 S N -0.328 115.293 115.700 -0.130 0.000 2.399 1394 S HA -0.152 4.318 4.470 -0.000 0.000 0.231 1394 S C 2.251 176.717 174.600 -0.223 0.000 1.022 1394 S CA 0.753 58.876 58.200 -0.128 0.000 0.983 1394 S CB -0.813 62.321 63.200 -0.111 0.000 0.803 1394 S HN 0.393 nan 8.310 nan 0.000 0.480 1395 L N -0.847 120.124 121.223 -0.420 0.000 2.127 1395 L HA 0.016 4.356 4.340 -0.000 0.000 0.211 1395 L C 1.470 177.939 176.870 -0.667 0.000 1.089 1395 L CA 1.341 55.805 54.840 -0.627 0.000 0.757 1395 L CB -0.519 41.020 42.059 -0.867 0.000 0.899 1395 L HN 0.338 nan 8.230 nan 0.000 0.434 1396 F N -1.687 118.262 119.950 -0.002 0.000 2.647 1396 F HA 0.168 4.695 4.527 -0.000 0.000 0.300 1396 F C 0.711 176.519 175.800 0.013 0.000 1.106 1396 F CA -0.632 57.383 58.000 0.026 0.000 1.313 1396 F CB 0.150 39.152 39.000 0.003 0.000 1.007 1396 F HN -0.096 nan 8.300 nan 0.000 0.536 1397 D N 0.165 120.610 120.400 0.075 0.000 2.347 1397 D HA 0.106 4.746 4.640 -0.000 0.000 0.235 1397 D C 1.036 177.363 176.300 0.046 0.000 1.149 1397 D CA 0.047 54.085 54.000 0.064 0.000 0.850 1397 D CB 1.253 42.077 40.800 0.040 0.000 1.061 1397 D HN 0.137 nan 8.370 nan 0.000 0.487 1398 C N 3.300 122.635 119.300 0.060 0.000 2.436 1398 C HA -0.139 4.321 4.460 -0.000 0.000 0.277 1398 C C 2.406 177.418 174.990 0.035 0.000 1.241 1398 C CA 0.538 59.586 59.018 0.049 0.000 1.721 1398 C CB -0.570 27.202 27.740 0.053 0.000 2.043 1398 C HN 0.748 nan 8.230 nan 0.000 0.472 1399 E N 1.102 121.323 120.200 0.035 0.000 2.085 1399 E HA -0.194 4.156 4.350 -0.000 0.000 0.194 1399 E C 2.089 178.705 176.600 0.027 0.000 0.994 1399 E CA 1.583 58.001 56.400 0.030 0.000 0.801 1399 E CB -0.170 29.549 29.700 0.031 0.000 0.743 1399 E HN 0.527 nan 8.360 nan 0.000 0.453 1400 K N -0.187 120.229 120.400 0.027 0.000 2.103 1400 K HA -0.015 4.305 4.320 -0.000 0.000 0.204 1400 K C 2.060 178.665 176.600 0.009 0.000 1.052 1400 K CA 0.933 57.235 56.287 0.024 0.000 0.945 1400 K CB -0.096 32.422 32.500 0.031 0.000 0.722 1400 K HN 0.167 nan 8.250 nan 0.000 0.443 1401 N N 1.101 119.800 118.700 -0.002 0.000 2.069 1401 N HA -0.169 4.571 4.740 -0.000 0.000 0.191 1401 N C 1.556 177.066 175.510 0.001 0.000 1.031 1401 N CA 1.310 54.351 53.050 -0.014 0.000 0.852 1401 N CB 0.040 38.519 38.487 -0.013 0.000 1.018 1401 N HN 0.219 nan 8.380 nan 0.000 0.423 1402 K N 1.170 121.578 120.400 0.012 0.000 2.057 1402 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 1402 K C 1.646 178.254 176.600 0.013 0.000 1.050 1402 K CA 0.947 57.243 56.287 0.015 0.000 0.935 1402 K CB -0.031 32.481 32.500 0.020 0.000 0.715 1402 K HN 0.111 nan 8.250 nan 0.000 0.439 1403 K N 0.972 121.381 120.400 0.016 0.000 2.555 1403 K HA -0.030 4.290 4.320 -0.000 0.000 0.193 1403 K C -0.160 176.449 176.600 0.016 0.000 1.032 1403 K CA 0.263 56.560 56.287 0.016 0.000 1.004 1403 K CB 0.105 32.616 32.500 0.020 0.000 0.804 1403 K HN 0.148 nan 8.250 nan 0.000 0.496 1404 Q N -0.007 119.800 119.800 0.012 0.000 2.468 1404 Q HA -0.228 4.112 4.340 -0.000 0.000 0.289 1404 Q C -0.460 175.553 176.000 0.022 0.000 1.299 1404 Q CA 0.575 56.385 55.803 0.011 0.000 0.838 1404 Q CB -1.337 27.408 28.738 0.011 0.000 1.195 1404 Q HN 0.426 nan 8.270 nan 0.000 0.456 1405 E N -0.099 120.118 120.200 0.028 0.000 2.465 1405 E HA 0.135 4.485 4.350 -0.000 0.000 0.195 1405 E C 0.069 176.711 176.600 0.071 0.000 1.028 1405 E CA -0.142 56.285 56.400 0.046 0.000 0.899 1405 E CB 0.397 30.125 29.700 0.047 0.000 1.032 1405 E HN 0.378 nan 8.360 nan 0.000 0.468 1406 L N 1.379 122.632 121.223 0.050 0.000 2.436 1406 L HA 0.211 4.551 4.340 -0.000 0.000 0.265 1406 L C 0.640 177.575 176.870 0.108 0.000 1.168 1406 L CA -0.430 54.450 54.840 0.068 0.000 0.815 1406 L CB 0.412 42.459 42.059 -0.021 0.000 1.109 1406 L HN -0.055 nan 8.230 nan 0.000 0.462 1407 K N 2.318 122.832 120.400 0.189 0.000 2.350 1407 K HA 0.238 4.558 4.320 -0.000 0.000 0.279 1407 K C -2.272 174.403 176.600 0.125 0.000 1.027 1407 K CA -1.378 55.020 56.287 0.186 0.000 0.969 1407 K CB 0.781 33.445 32.500 0.273 0.000 0.954 1407 K HN 0.253 nan 8.250 nan 0.000 0.474 1408 P HA 0.035 nan 4.420 nan 0.000 0.271 1408 P C 0.378 177.705 177.300 0.046 0.000 1.216 1408 P CA -0.049 63.102 63.100 0.085 0.000 0.776 1408 P CB 0.359 32.137 31.700 0.131 0.000 0.881 1409 I N -1.364 119.195 120.570 -0.018 0.000 3.564 1409 I HA 0.119 4.289 4.170 -0.000 0.000 0.294 1409 I C -0.277 175.617 176.117 -0.373 0.000 1.289 1409 I CA 0.456 61.632 61.300 -0.206 0.000 1.325 1409 I CB -0.591 37.192 38.000 -0.361 0.000 1.039 1409 I HN 0.149 nan 8.210 nan 0.000 0.474 1410 Y N 1.037 121.392 120.300 0.092 0.000 2.479 1410 Y HA 0.584 5.134 4.550 -0.000 0.000 0.338 1410 Y C -0.277 175.773 175.900 0.250 0.000 1.055 1410 Y CA -0.938 57.252 58.100 0.151 0.000 1.023 1410 Y CB 1.638 40.162 38.460 0.106 0.000 1.287 1410 Y HN -0.157 nan 8.280 nan 0.000 0.447 1411 L N 4.631 126.073 121.223 0.365 0.000 2.439 1411 L HA 0.339 4.679 4.340 -0.000 0.000 0.261 1411 L C -1.577 175.425 176.870 0.220 0.000 1.153 1411 L CA -1.777 53.206 54.840 0.238 0.000 0.808 1411 L CB 0.910 43.046 42.059 0.130 0.000 1.126 1411 L HN 0.433 nan 8.230 nan 0.000 0.460 1412 P HA -0.146 nan 4.420 nan 0.000 0.220 1412 P C 0.481 177.664 177.300 -0.195 0.000 1.148 1412 P CA 0.990 63.861 63.100 -0.381 0.000 0.803 1412 P CB 0.043 31.555 31.700 -0.314 0.000 0.782 1413 D N -2.180 118.192 120.400 -0.047 0.000 2.349 1413 D HA -0.056 4.584 4.640 -0.000 0.000 0.215 1413 D C 0.457 176.789 176.300 0.054 0.000 1.016 1413 D CA 0.087 54.082 54.000 -0.008 0.000 0.870 1413 D CB -1.107 39.691 40.800 -0.003 0.000 0.917 1413 D HN 0.070 nan 8.370 nan 0.000 0.524 1414 D N 0.899 121.374 120.400 0.124 0.000 2.488 1414 D HA -0.056 4.584 4.640 -0.000 0.000 0.238 1414 D C 1.461 177.838 176.300 0.128 0.000 1.138 1414 D CA -0.089 54.014 54.000 0.173 0.000 0.873 1414 D CB 1.022 42.011 40.800 0.316 0.000 1.183 1414 D HN 0.046 nan 8.370 nan 0.000 0.458 1415 L N 2.697 123.981 121.223 0.102 0.000 2.191 1415 L HA -0.160 4.180 4.340 -0.000 0.000 0.212 1415 L C 1.230 178.123 176.870 0.038 0.000 1.103 1415 L CA 0.934 55.814 54.840 0.067 0.000 0.769 1415 L CB -0.063 42.036 42.059 0.067 0.000 0.908 1415 L HN 0.373 nan 8.230 nan 0.000 0.438 1416 D N -1.592 118.827 120.400 0.032 0.000 2.342 1416 D HA -0.015 4.625 4.640 -0.000 0.000 0.221 1416 D C 0.189 176.188 176.300 -0.502 0.000 1.101 1416 D CA -0.094 53.828 54.000 -0.130 0.000 0.837 1416 D CB -0.089 40.755 40.800 0.072 0.000 0.938 1416 D HN 0.111 nan 8.370 nan 0.000 0.508 1417 Y N 2.130 122.217 120.300 -0.355 0.000 2.810 1417 Y HA 0.023 4.573 4.550 -0.000 0.000 0.332 1417 Y C -1.987 173.713 175.900 -0.334 0.000 1.243 1417 Y CA -1.344 56.542 58.100 -0.357 0.000 1.537 1417 Y CB 0.371 38.759 38.460 -0.120 0.000 1.265 1417 Y HN -0.094 nan 8.280 nan 0.000 0.572 1418 P HA -0.010 nan 4.420 nan 0.000 0.265 1418 P C -0.262 176.918 177.300 -0.200 0.000 1.193 1418 P CA 0.342 63.155 63.100 -0.479 0.000 0.765 1418 P CB 0.708 32.096 31.700 -0.520 0.000 0.823 1419 K N 1.255 121.564 120.400 -0.152 0.000 2.116 1419 K HA 0.013 4.333 4.320 -0.000 0.000 0.203 1419 K C 0.419 176.986 176.600 -0.055 0.000 1.052 1419 K CA 0.992 57.237 56.287 -0.070 0.000 0.952 1419 K CB 0.193 32.643 32.500 -0.083 0.000 0.729 1419 K HN 0.507 nan 8.250 nan 0.000 0.446 1420 E N 1.445 121.592 120.200 -0.089 0.000 2.171 1420 E HA 0.194 4.544 4.350 -0.000 0.000 0.271 1420 E C -0.572 175.982 176.600 -0.078 0.000 0.916 1420 E CA -0.431 55.928 56.400 -0.070 0.000 0.774 1420 E CB 1.712 31.366 29.700 -0.078 0.000 1.128 1420 E HN -0.016 nan 8.360 nan 0.000 0.403 1421 Q N 1.840 121.615 119.800 -0.043 0.000 2.243 1421 Q HA 0.402 4.742 4.340 -0.000 0.000 0.252 1421 Q C 0.093 176.068 176.000 -0.042 0.000 0.909 1421 Q CA -0.544 55.236 55.803 -0.039 0.000 0.922 1421 Q CB 1.417 30.156 28.738 0.001 0.000 1.215 1421 Q HN 0.446 nan 8.270 nan 0.000 0.427 1422 L N 1.462 122.654 121.223 -0.051 0.000 2.436 1422 L HA 0.273 4.613 4.340 -0.000 0.000 0.265 1422 L C 1.035 177.893 176.870 -0.020 0.000 1.168 1422 L CA -0.403 54.413 54.840 -0.039 0.000 0.815 1422 L CB 0.392 42.423 42.059 -0.047 0.000 1.109 1422 L HN 0.639 nan 8.230 nan 0.000 0.462 1423 T N -2.806 111.741 114.554 -0.013 0.000 2.882 1423 T HA 0.096 4.446 4.350 -0.000 0.000 0.287 1423 T C 0.857 175.555 174.700 -0.002 0.000 1.014 1423 T CA -0.675 61.422 62.100 -0.005 0.000 1.049 1423 T CB 1.509 70.375 68.868 -0.003 0.000 1.001 1423 T HN 0.764 nan 8.240 nan 0.000 0.525 1424 E N 0.755 120.956 120.200 0.002 0.000 2.085 1424 E HA -0.229 4.121 4.350 -0.000 0.000 0.194 1424 E C 2.092 178.696 176.600 0.006 0.000 0.994 1424 E CA 1.727 58.130 56.400 0.004 0.000 0.801 1424 E CB -0.267 29.436 29.700 0.006 0.000 0.743 1424 E HN 0.798 nan 8.360 nan 0.000 0.453 1425 S N -0.649 115.054 115.700 0.006 0.000 2.414 1425 S HA -0.024 4.446 4.470 -0.000 0.000 0.227 1425 S C 2.129 176.736 174.600 0.010 0.000 1.022 1425 S CA 0.996 59.201 58.200 0.008 0.000 0.958 1425 S CB -0.013 63.191 63.200 0.006 0.000 0.797 1425 S HN 0.174 nan 8.310 nan 0.000 0.493 1426 S N 2.035 117.740 115.700 0.009 0.000 2.368 1426 S HA 0.050 4.520 4.470 -0.000 0.000 0.225 1426 S C 1.720 176.331 174.600 0.019 0.000 1.030 1426 S CA 1.534 59.742 58.200 0.013 0.000 0.999 1426 S CB -0.532 62.672 63.200 0.007 0.000 0.844 1426 S HN 0.547 nan 8.310 nan 0.000 0.459 1427 I N 1.330 121.908 120.570 0.012 0.000 2.202 1427 I HA -0.189 3.981 4.170 -0.000 0.000 0.242 1427 I C 2.466 178.596 176.117 0.023 0.000 1.091 1427 I CA 1.050 62.359 61.300 0.014 0.000 1.368 1427 I CB -0.247 37.755 38.000 0.004 0.000 1.058 1427 I HN 0.138 nan 8.210 nan 0.000 0.410 1428 K N 0.963 121.375 120.400 0.020 0.000 2.001 1428 K HA -0.216 4.104 4.320 -0.000 0.000 0.214 1428 K C 2.254 178.872 176.600 0.030 0.000 1.050 1428 K CA 1.887 58.187 56.287 0.023 0.000 0.934 1428 K CB -0.665 31.846 32.500 0.018 0.000 0.718 1428 K HN 0.342 nan 8.250 nan 0.000 0.443 1429 A N 1.678 124.515 122.820 0.029 0.000 1.865 1429 A HA -0.161 4.159 4.320 -0.000 0.000 0.217 1429 A C 2.406 180.021 177.584 0.053 0.000 1.191 1429 A CA 1.519 53.578 52.037 0.035 0.000 0.623 1429 A CB -0.869 18.148 19.000 0.029 0.000 0.826 1429 A HN 0.220 nan 8.150 nan 0.000 0.444 1430 L N -0.667 120.590 121.223 0.058 0.000 2.079 1430 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 1430 L C 2.785 179.701 176.870 0.077 0.000 1.081 1430 L CA 1.780 56.667 54.840 0.078 0.000 0.752 1430 L CB -0.848 41.254 42.059 0.073 0.000 0.896 1430 L HN 0.383 nan 8.230 nan 0.000 0.433 1431 T N -1.211 113.380 114.554 0.062 0.000 2.746 1431 T HA -0.146 4.204 4.350 -0.000 0.000 0.267 1431 T C 1.806 176.544 174.700 0.063 0.000 1.039 1431 T CA 1.084 63.222 62.100 0.063 0.000 1.142 1431 T CB -0.078 68.819 68.868 0.048 0.000 0.866 1431 T HN 0.248 nan 8.240 nan 0.000 0.444 1432 E N 1.247 121.480 120.200 0.055 0.000 2.107 1432 E HA -0.036 4.314 4.350 -0.000 0.000 0.191 1432 E C 2.329 178.966 176.600 0.061 0.000 0.982 1432 E CA 0.853 57.284 56.400 0.051 0.000 0.809 1432 E CB -0.272 29.453 29.700 0.041 0.000 0.756 1432 E HN 0.558 nan 8.360 nan 0.000 0.459 1433 Q N 0.310 120.154 119.800 0.074 0.000 2.124 1433 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 1433 Q C 1.125 177.180 176.000 0.091 0.000 0.977 1433 Q CA 0.894 56.754 55.803 0.095 0.000 0.850 1433 Q CB 0.099 28.917 28.738 0.134 0.000 0.901 1433 Q HN 0.188 nan 8.270 nan 0.000 0.429 1434 N N 0.019 118.771 118.700 0.086 0.000 2.251 1434 N HA 0.034 4.774 4.740 -0.000 0.000 0.217 1434 N C 0.889 176.445 175.510 0.076 0.000 1.124 1434 N CA -0.055 53.044 53.050 0.081 0.000 0.843 1434 N CB 0.326 38.870 38.487 0.096 0.000 1.024 1434 N HN 0.189 nan 8.380 nan 0.000 0.501 1435 R N 1.927 122.467 120.500 0.067 0.000 2.113 1435 R HA -0.210 4.130 4.340 -0.000 0.000 0.244 1435 R C 1.917 178.248 176.300 0.051 0.000 1.142 1435 R CA 1.754 57.890 56.100 0.060 0.000 0.953 1435 R CB -0.018 30.311 30.300 0.048 0.000 0.860 1435 R HN 0.274 nan 8.270 nan 0.000 0.438 1436 E N -0.035 120.188 120.200 0.040 0.000 2.051 1436 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 1436 E C 2.030 178.638 176.600 0.014 0.000 0.991 1436 E CA 1.316 57.730 56.400 0.024 0.000 0.799 1436 E CB -0.163 29.549 29.700 0.020 0.000 0.748 1436 E HN 0.334 nan 8.360 nan 0.000 0.449 1437 L N 0.674 121.910 121.223 0.022 0.000 2.042 1437 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 1437 L C 2.297 179.173 176.870 0.010 0.000 1.076 1437 L CA 1.781 56.624 54.840 0.005 0.000 0.749 1437 L CB -0.397 41.677 42.059 0.025 0.000 0.893 1437 L HN 0.265 nan 8.230 nan 0.000 0.432 1438 M N -0.804 118.848 119.600 0.085 0.000 2.086 1438 M HA -0.218 4.262 4.480 -0.000 0.000 0.261 1438 M C 2.232 178.583 176.300 0.084 0.000 1.067 1438 M CA 1.757 57.161 55.300 0.173 0.000 1.116 1438 M CB -1.166 31.542 32.600 0.181 0.000 1.348 1438 M HN 0.367 nan 8.290 nan 0.000 0.407 1439 E N -0.315 119.911 120.200 0.043 0.000 2.153 1439 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 1439 E C 1.988 178.565 176.600 -0.039 0.000 0.988 1439 E CA 1.823 58.233 56.400 0.017 0.000 0.811 1439 E CB -0.094 29.616 29.700 0.017 0.000 0.746 1439 E HN 0.634 nan 8.360 nan 0.000 0.466 1440 T N -1.896 112.617 114.554 -0.069 0.000 2.851 1440 T HA -0.022 4.328 4.350 -0.000 0.000 0.262 1440 T C 2.092 176.664 174.700 -0.212 0.000 1.043 1440 T CA 1.051 63.086 62.100 -0.109 0.000 1.140 1440 T CB -0.390 68.426 68.868 -0.087 0.000 0.872 1440 T HN 0.154 nan 8.240 nan 0.000 0.446 1441 G N 1.228 109.819 108.800 -0.350 0.000 2.440 1441 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.218 1441 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.218 1441 G C 1.812 176.333 174.900 -0.632 0.000 1.154 1441 G CA 0.843 45.481 45.100 -0.770 0.000 0.767 1441 G HN 0.588 nan 8.290 nan 0.000 0.552 1442 R N 0.755 121.092 120.500 -0.272 0.000 2.115 1442 R HA -0.080 4.260 4.340 -0.000 0.000 0.230 1442 R C 2.902 179.176 176.300 -0.043 0.000 1.111 1442 R CA 1.705 57.781 56.100 -0.040 0.000 0.976 1442 R CB -0.205 30.142 30.300 0.079 0.000 0.870 1442 R HN 0.486 nan 8.270 nan 0.000 0.445 1443 S N -0.642 115.014 115.700 -0.072 0.000 2.402 1443 S HA -0.074 4.396 4.470 -0.000 0.000 0.229 1443 S C 1.940 176.508 174.600 -0.053 0.000 1.021 1443 S CA 1.150 59.320 58.200 -0.050 0.000 0.974 1443 S CB -0.257 62.910 63.200 -0.056 0.000 0.800 1443 S HN 0.139 nan 8.310 nan 0.000 0.484 1444 V N 1.617 121.484 119.914 -0.079 0.000 2.515 1444 V HA -0.086 4.034 4.120 -0.000 0.000 0.250 1444 V C 2.581 178.726 176.094 0.084 0.000 1.058 1444 V CA 1.395 63.676 62.300 -0.031 0.000 1.064 1444 V CB -0.636 31.137 31.823 -0.082 0.000 0.675 1444 V HN 0.466 nan 8.190 nan 0.000 0.461 1445 V N -0.702 119.252 119.914 0.066 0.000 2.379 1445 V HA -0.183 3.937 4.120 -0.000 0.000 0.245 1445 V C 2.487 178.672 176.094 0.152 0.000 1.044 1445 V CA 1.401 63.802 62.300 0.168 0.000 1.036 1445 V CB -0.607 31.314 31.823 0.163 0.000 0.664 1445 V HN 0.489 nan 8.190 nan 0.000 0.453 1446 Q N 0.270 120.112 119.800 0.070 0.000 2.291 1446 Q HA -0.209 4.131 4.340 -0.000 0.000 0.205 1446 Q C 2.213 178.210 176.000 -0.004 0.000 0.970 1446 Q CA 1.301 57.130 55.803 0.043 0.000 0.876 1446 Q CB -0.370 28.380 28.738 0.020 0.000 0.935 1446 Q HN 0.688 nan 8.270 nan 0.000 0.455 1447 K N 0.132 120.487 120.400 -0.074 0.000 2.103 1447 K HA -0.188 4.132 4.320 -0.000 0.000 0.207 1447 K C 1.217 177.607 176.600 -0.350 0.000 1.048 1447 K CA 1.422 57.549 56.287 -0.267 0.000 0.930 1447 K CB -0.030 32.207 32.500 -0.438 0.000 0.716 1447 K HN 0.169 nan 8.250 nan 0.000 0.444 1448 Y N -0.065 120.249 120.300 0.024 0.000 2.497 1448 Y HA 0.119 4.669 4.550 -0.000 0.000 0.265 1448 Y C 1.774 177.697 175.900 0.039 0.000 1.111 1448 Y CA 0.053 58.170 58.100 0.029 0.000 1.288 1448 Y CB 0.201 38.680 38.460 0.031 0.000 1.082 1448 Y HN -0.039 nan 8.280 nan 0.000 0.536 1449 L N -0.104 121.218 121.223 0.166 0.000 2.131 1449 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 1449 L C 1.642 178.593 176.870 0.135 0.000 1.087 1449 L CA 0.824 55.757 54.840 0.155 0.000 0.767 1449 L CB -0.230 41.900 42.059 0.120 0.000 0.917 1449 L HN 0.258 nan 8.230 nan 0.000 0.441 1450 N N 0.043 118.789 118.700 0.078 0.000 2.244 1450 N HA -0.219 4.521 4.740 -0.000 0.000 0.183 1450 N C 1.182 176.717 175.510 0.041 0.000 1.016 1450 N CA 1.460 54.541 53.050 0.052 0.000 0.866 1450 N CB -0.411 38.088 38.487 0.020 0.000 0.980 1450 N HN 0.394 nan 8.380 nan 0.000 0.430 1451 D N -0.303 120.121 120.400 0.040 0.000 2.352 1451 D HA -0.006 4.634 4.640 -0.000 0.000 0.232 1451 D C 0.181 176.518 176.300 0.063 0.000 1.055 1451 D CA -0.094 53.931 54.000 0.042 0.000 0.891 1451 D CB 0.076 40.895 40.800 0.030 0.000 0.897 1451 D HN 0.141 nan 8.370 nan 0.000 0.529 1452 C N 0.000 119.341 119.300 0.069 0.000 2.653 1452 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1452 C CA 0.000 59.046 59.018 0.046 0.000 1.963 1452 C CB 0.000 27.800 27.740 0.100 0.000 2.134 1452 C HN 0.000 nan 8.230 nan 0.000 0.568