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_D 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 0.000 176.007 176.300 -0.488 0.000 2.045 1273 D CA 0.000 53.691 54.000 -0.515 0.000 0.868 1273 D CB 0.000 40.647 40.800 -0.256 0.000 0.688 1274 V N 1.211 121.002 119.914 -0.204 0.000 2.233 1274 V HA -0.192 3.928 4.120 -0.000 0.000 0.247 1274 V C 2.284 178.316 176.094 -0.104 0.000 1.050 1274 V CA 2.510 64.755 62.300 -0.093 0.000 1.010 1274 V CB -0.446 31.348 31.823 -0.049 0.000 0.637 1274 V HN 0.220 nan 8.190 nan 0.000 0.444 1275 E N -0.034 120.095 120.200 -0.119 0.000 2.106 1275 E HA -0.210 4.140 4.350 -0.000 0.000 0.192 1275 E C 2.399 178.928 176.600 -0.119 0.000 0.984 1275 E CA 1.134 57.479 56.400 -0.091 0.000 0.806 1275 E CB -0.228 29.426 29.700 -0.078 0.000 0.750 1275 E HN 0.351 nan 8.360 nan 0.000 0.458 1276 R N -0.839 119.513 120.500 -0.247 0.000 2.096 1276 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 1276 R C 0.744 176.970 176.300 -0.123 0.000 1.127 1276 R CA 1.305 57.232 56.100 -0.289 0.000 0.968 1276 R CB -0.086 29.872 30.300 -0.570 0.000 0.861 1276 R HN 0.237 nan 8.270 nan 0.000 0.440 1277 F N 0.190 120.117 119.950 -0.038 0.000 2.664 1277 F HA 0.227 4.754 4.527 -0.000 0.000 0.303 1277 F C 1.727 177.446 175.800 -0.136 0.000 1.092 1277 F CA -0.359 57.588 58.000 -0.088 0.000 1.305 1277 F CB -0.211 38.776 39.000 -0.021 0.000 1.054 1277 F HN -0.081 nan 8.300 nan 0.000 0.565 1278 K N 0.703 121.133 120.400 0.051 0.000 2.113 1278 K HA -0.182 4.138 4.320 -0.000 0.000 0.208 1278 K C 0.478 177.056 176.600 -0.037 0.000 1.047 1278 K CA 1.981 58.267 56.287 -0.002 0.000 0.928 1278 K CB 0.016 32.509 32.500 -0.012 0.000 0.716 1278 K HN 0.108 nan 8.250 nan 0.000 0.446 1279 D N 0.559 120.934 120.400 -0.041 0.000 2.395 1279 D HA -0.001 4.639 4.640 -0.000 0.000 0.213 1279 D C 0.148 176.379 176.300 -0.114 0.000 1.110 1279 D CA 0.174 54.133 54.000 -0.069 0.000 0.835 1279 D CB 0.521 41.291 40.800 -0.050 0.000 0.965 1279 D HN 0.351 nan 8.370 nan 0.000 0.505 1280 T N -0.591 113.864 114.554 -0.165 0.000 2.802 1280 T HA 0.327 4.677 4.350 -0.000 0.000 0.305 1280 T C 0.726 175.246 174.700 -0.300 0.000 1.053 1280 T CA -0.685 61.244 62.100 -0.286 0.000 1.058 1280 T CB 1.447 70.008 68.868 -0.511 0.000 0.988 1280 T HN -0.066 nan 8.240 nan 0.000 0.539 1281 V N -0.950 118.820 119.914 -0.240 0.000 2.881 1281 V HA 0.776 4.896 4.120 -0.000 0.000 0.316 1281 V C 0.597 176.680 176.094 -0.020 0.000 1.070 1281 V CA -0.886 61.355 62.300 -0.098 0.000 0.976 1281 V CB 0.981 32.838 31.823 0.056 0.000 1.038 1281 V HN 1.247 nan 8.190 nan 0.000 0.446 1282 T N 1.153 115.755 114.554 0.081 0.000 2.898 1282 T HA 0.460 4.810 4.350 -0.000 0.000 0.301 1282 T C -0.193 174.752 174.700 0.407 0.000 1.049 1282 T CA -0.386 61.866 62.100 0.253 0.000 1.095 1282 T CB 0.963 69.924 68.868 0.155 0.000 0.976 1282 T HN 1.041 nan 8.240 nan 0.000 0.539 1283 L N 1.566 123.063 121.223 0.457 0.000 2.315 1283 L HA 0.481 4.821 4.340 -0.000 0.000 0.283 1283 L C 0.033 176.960 176.870 0.096 0.000 1.089 1283 L CA -0.200 54.757 54.840 0.195 0.000 0.833 1283 L CB 0.114 42.092 42.059 -0.135 0.000 1.170 1283 L HN 0.838 nan 8.230 nan 0.000 0.442 1284 E N 4.441 124.673 120.200 0.053 0.000 2.156 1284 E HA 0.539 4.889 4.350 -0.000 0.000 0.279 1284 E C -1.330 175.182 176.600 -0.146 0.000 0.965 1284 E CA -0.251 56.132 56.400 -0.028 0.000 0.789 1284 E CB 0.859 30.569 29.700 0.016 0.000 1.098 1284 E HN 0.694 nan 8.360 nan 0.000 0.397 1285 L N 2.457 123.461 121.223 -0.366 0.000 2.330 1285 L HA 0.542 4.882 4.340 -0.000 0.000 0.271 1285 L C -0.139 176.467 176.870 -0.439 0.000 1.013 1285 L CA -0.966 53.626 54.840 -0.413 0.000 0.816 1285 L CB 2.045 43.758 42.059 -0.577 0.000 1.287 1285 L HN 0.410 nan 8.230 nan 0.000 0.435 1286 S N 0.741 116.342 115.700 -0.165 0.000 2.472 1286 S HA 0.302 4.772 4.470 -0.000 0.000 0.303 1286 S C -0.617 173.988 174.600 0.008 0.000 1.099 1286 S CA -0.633 57.517 58.200 -0.083 0.000 1.077 1286 S CB 1.286 64.435 63.200 -0.084 0.000 1.031 1286 S HN 0.715 nan 8.310 nan 0.000 0.487 1287 C N 7.701 127.057 119.300 0.093 0.000 2.576 1287 C HA 0.498 4.958 4.460 -0.000 0.000 0.401 1287 C C -1.185 173.679 174.990 -0.211 0.000 1.314 1287 C CA -1.659 57.343 59.018 -0.027 0.000 1.855 1287 C CB 0.026 27.878 27.740 0.186 0.000 2.537 1287 C HN 0.777 nan 8.230 nan 0.000 0.578 1288 P HA -0.072 nan 4.420 nan 0.000 0.218 1288 P C 1.493 178.692 177.300 -0.168 0.000 1.149 1288 P CA 1.432 64.361 63.100 -0.286 0.000 0.817 1288 P CB 0.115 31.600 31.700 -0.359 0.000 0.785 1289 S N -0.472 115.145 115.700 -0.139 0.000 2.336 1289 S HA -0.095 4.375 4.470 -0.000 0.000 0.216 1289 S C 2.028 176.608 174.600 -0.033 0.000 1.032 1289 S CA 1.497 59.659 58.200 -0.064 0.000 0.973 1289 S CB -1.127 62.056 63.200 -0.029 0.000 0.888 1289 S HN 0.389 nan 8.310 nan 0.000 0.455 1290 C N 0.138 119.430 119.300 -0.013 0.000 3.070 1290 C HA 0.418 4.878 4.460 -0.000 0.000 0.280 1290 C C 0.160 175.122 174.990 -0.047 0.000 1.264 1290 C CA -0.196 58.818 59.018 -0.007 0.000 1.690 1290 C CB -0.514 27.253 27.740 0.046 0.000 2.049 1290 C HN 0.463 nan 8.230 nan 0.000 0.636 1291 D N -0.185 120.192 120.400 -0.039 0.000 3.006 1291 D HA -0.144 4.496 4.640 -0.000 0.000 0.205 1291 D C -0.085 176.197 176.300 -0.030 0.000 1.075 1291 D CA 1.359 55.334 54.000 -0.043 0.000 1.000 1291 D CB -1.349 39.420 40.800 -0.052 0.000 1.097 1291 D HN 0.534 nan 8.370 nan 0.000 0.426 1292 K N 1.115 121.502 120.400 -0.021 0.000 2.412 1292 K HA 0.168 4.488 4.320 -0.000 0.000 0.281 1292 K C 0.583 177.263 176.600 0.134 0.000 1.027 1292 K CA 0.364 56.653 56.287 0.004 0.000 0.989 1292 K CB 0.586 33.055 32.500 -0.050 0.000 0.935 1292 K HN 0.066 nan 8.250 nan 0.000 0.475 1293 R N 3.637 124.175 120.500 0.064 0.000 2.474 1293 R HA 0.497 4.837 4.340 -0.000 0.000 0.295 1293 R C -0.611 175.755 176.300 0.110 0.000 0.980 1293 R CA -0.735 55.377 56.100 0.020 0.000 0.934 1293 R CB 0.754 31.037 30.300 -0.029 0.000 1.101 1293 R HN 0.598 nan 8.270 nan 0.000 0.469 1294 F N -0.389 119.597 119.950 0.060 0.000 2.678 1294 F HA 0.522 5.049 4.527 0.000 0.000 0.308 1294 F C -2.994 172.929 175.800 0.204 0.000 1.118 1294 F CA -3.030 55.043 58.000 0.122 0.000 0.959 1294 F CB 1.349 40.489 39.000 0.234 0.000 1.305 1294 F HN 0.292 nan 8.300 nan 0.000 0.443 1295 P HA 0.188 nan 4.420 nan 0.000 0.279 1295 P C -1.259 176.314 177.300 0.456 0.000 1.239 1295 P CA 0.161 63.447 63.100 0.310 0.000 0.789 1295 P CB 1.200 33.040 31.700 0.234 0.000 0.933 1296 F N 2.734 122.725 119.950 0.069 0.000 2.385 1296 F HA 0.553 5.080 4.527 -0.000 0.000 0.360 1296 F C 0.876 176.647 175.800 -0.048 0.000 1.122 1296 F CA -0.123 57.827 58.000 -0.084 0.000 1.090 1296 F CB 0.915 39.739 39.000 -0.294 0.000 1.150 1296 F HN 0.396 nan 8.300 nan 0.000 0.472 1297 G N 3.519 112.002 108.800 -0.528 0.000 3.605 1297 G HA2 0.452 4.412 3.960 -0.000 0.000 0.277 1297 G HA3 0.452 4.412 3.960 -0.000 0.000 0.277 1297 G C 0.549 175.049 174.900 -0.667 0.000 1.093 1297 G CA 0.129 44.977 45.100 -0.419 0.000 0.821 1297 G HN 1.332 nan 8.290 nan 0.000 0.532 1298 G N 0.466 108.375 108.800 -1.485 0.000 2.632 1298 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.224 1298 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.224 1298 G C 0.095 174.735 174.900 -0.434 0.000 1.341 1298 G CA -0.415 44.147 45.100 -0.896 0.000 0.880 1298 G HN 0.564 nan 8.290 nan 0.000 0.566 1299 I N 1.891 122.376 120.570 -0.143 0.000 2.382 1299 I HA 0.346 4.516 4.170 -0.000 0.000 0.297 1299 I C 0.996 177.086 176.117 -0.044 0.000 1.172 1299 I CA -0.001 61.294 61.300 -0.009 0.000 1.825 1299 I CB -0.998 37.020 38.000 0.031 0.000 1.509 1299 I HN 0.680 nan 8.210 nan 0.000 0.842 1300 V N 0.953 120.829 119.914 -0.063 0.000 3.160 1300 V HA 0.642 4.762 4.120 -0.000 0.000 0.310 1300 V C 0.226 176.211 176.094 -0.182 0.000 1.181 1300 V CA -0.948 61.295 62.300 -0.095 0.000 1.047 1300 V CB 1.617 33.392 31.823 -0.080 0.000 1.068 1300 V HN 0.452 nan 8.190 nan 0.000 0.441 1301 S N 1.078 116.661 115.700 -0.195 0.000 2.576 1301 S HA 0.681 5.151 4.470 -0.000 0.000 0.276 1301 S C 0.083 174.455 174.600 -0.381 0.000 1.339 1301 S CA 0.201 58.223 58.200 -0.296 0.000 1.039 1301 S CB 0.974 64.012 63.200 -0.270 0.000 0.902 1301 S HN 2.081 nan 8.310 nan 0.000 0.516 1302 S N 0.821 116.198 115.700 -0.539 0.000 2.542 1302 S HA 0.351 4.821 4.470 -0.000 0.000 0.276 1302 S C -0.123 174.089 174.600 -0.648 0.000 1.148 1302 S CA -0.882 56.950 58.200 -0.612 0.000 0.886 1302 S CB 0.847 63.569 63.200 -0.796 0.000 1.109 1302 S HN 0.633 nan 8.310 nan 0.000 0.458 1303 N N 1.825 120.028 118.700 -0.828 0.000 2.512 1303 N HA 0.048 4.788 4.740 -0.000 0.000 0.183 1303 N C 0.332 175.507 175.510 -0.559 0.000 1.073 1303 N CA 1.047 53.647 53.050 -0.750 0.000 0.911 1303 N CB -0.278 37.661 38.487 -0.913 0.000 0.964 1303 N HN 0.645 nan 8.380 nan 0.000 0.447 1304 Y N -1.173 118.981 120.300 -0.243 0.000 2.535 1304 Y HA 0.192 4.742 4.550 -0.000 0.000 0.266 1304 Y C 0.410 176.064 175.900 -0.410 0.000 1.088 1304 Y CA -0.814 57.139 58.100 -0.246 0.000 1.285 1304 Y CB -0.082 38.300 38.460 -0.129 0.000 1.166 1304 Y HN 0.014 nan 8.280 nan 0.000 0.525 1305 Y N -1.347 118.759 120.300 -0.323 0.000 2.655 1305 Y HA 0.760 5.310 4.550 -0.000 0.000 0.336 1305 Y C -0.940 174.877 175.900 -0.138 0.000 1.154 1305 Y CA -2.350 55.565 58.100 -0.309 0.000 1.055 1305 Y CB 1.487 39.690 38.460 -0.428 0.000 1.295 1305 Y HN -0.215 nan 8.280 nan 0.000 0.465 1306 R N 1.431 122.017 120.500 0.143 0.000 2.651 1306 R HA 0.701 5.041 4.340 -0.000 0.000 0.278 1306 R C -2.367 174.071 176.300 0.231 0.000 1.010 1306 R CA -0.882 55.255 56.100 0.062 0.000 0.896 1306 R CB 2.446 32.737 30.300 -0.015 0.000 1.211 1306 R HN 0.737 nan 8.270 nan 0.000 0.456 1307 V N 4.378 124.415 119.914 0.206 0.000 2.304 1307 V HA 0.226 4.346 4.120 -0.000 0.000 0.269 1307 V C 0.412 176.557 176.094 0.086 0.000 1.036 1307 V CA -0.346 62.058 62.300 0.173 0.000 0.840 1307 V CB 0.656 32.605 31.823 0.211 0.000 1.036 1307 V HN 0.892 nan 8.190 nan 0.000 0.466 1308 S N 4.460 120.185 115.700 0.041 0.000 2.713 1308 S HA 0.356 4.826 4.470 -0.000 0.000 0.277 1308 S C 1.066 175.681 174.600 0.025 0.000 1.168 1308 S CA -0.220 57.971 58.200 -0.015 0.000 0.994 1308 S CB 0.613 63.729 63.200 -0.140 0.000 1.054 1308 S HN 0.737 nan 8.310 nan 0.000 0.555 1309 Y N 1.065 121.390 120.300 0.041 0.000 2.403 1309 Y HA 0.042 4.592 4.550 -0.000 0.000 0.291 1309 Y C 0.906 176.830 175.900 0.041 0.000 1.143 1309 Y CA 1.299 59.421 58.100 0.037 0.000 1.257 1309 Y CB -1.190 37.286 38.460 0.027 0.000 0.984 1309 Y HN 0.676 nan 8.280 nan 0.000 0.550 1310 N N -0.016 118.624 118.700 -0.101 0.000 2.234 1310 N HA 0.471 5.211 4.740 -0.000 0.000 0.227 1310 N C 0.374 175.884 175.510 0.001 0.000 1.151 1310 N CA 0.315 53.370 53.050 0.007 0.000 0.865 1310 N CB 0.854 39.311 38.487 -0.051 0.000 1.066 1310 N HN 0.633 nan 8.380 nan 0.000 0.515 1311 G N -0.180 108.628 108.800 0.013 0.000 2.334 1311 G HA2 0.098 4.058 3.960 -0.000 0.000 0.315 1311 G HA3 0.098 4.058 3.960 -0.000 0.000 0.315 1311 G C -1.868 173.062 174.900 0.049 0.000 1.284 1311 G CA -0.892 44.233 45.100 0.043 0.000 0.985 1311 G HN 0.286 nan 8.290 nan 0.000 0.504 1312 L N 0.765 122.014 121.223 0.043 0.000 2.418 1312 L HA 0.649 4.989 4.340 -0.000 0.000 0.274 1312 L C 0.476 177.404 176.870 0.096 0.000 1.135 1312 L CA 0.335 55.181 54.840 0.010 0.000 0.870 1312 L CB 0.844 42.749 42.059 -0.256 0.000 1.154 1312 L HN 0.763 nan 8.230 nan 0.000 0.462 1313 Q N 4.660 124.538 119.800 0.130 0.000 2.353 1313 Q HA 0.358 4.698 4.340 -0.000 0.000 0.268 1313 Q C -1.216 174.902 176.000 0.196 0.000 1.045 1313 Q CA -0.799 55.106 55.803 0.171 0.000 0.811 1313 Q CB 1.709 30.494 28.738 0.080 0.000 1.305 1313 Q HN 0.881 nan 8.270 nan 0.000 0.447 1314 C N 4.573 124.037 119.300 0.274 0.000 2.499 1314 C HA 0.289 4.749 4.460 -0.000 0.000 0.386 1314 C C 1.107 176.171 174.990 0.124 0.000 1.293 1314 C CA -0.151 59.004 59.018 0.228 0.000 1.884 1314 C CB -0.234 27.714 27.740 0.348 0.000 2.509 1314 C HN 1.020 nan 8.230 nan 0.000 0.566 1315 K N 2.030 122.469 120.400 0.064 0.000 2.296 1315 K HA -0.082 4.238 4.320 -0.000 0.000 0.200 1315 K C 2.032 178.678 176.600 0.078 0.000 1.048 1315 K CA 0.788 57.099 56.287 0.040 0.000 0.966 1315 K CB -0.236 32.253 32.500 -0.017 0.000 0.754 1315 K HN 0.846 nan 8.250 nan 0.000 0.466 1316 H N 0.234 119.334 119.070 0.051 0.000 2.357 1316 H HA -0.097 4.459 4.556 0.000 0.000 0.301 1316 H C 1.694 177.048 175.328 0.043 0.000 1.082 1316 H CA 1.828 57.909 56.048 0.055 0.000 1.342 1316 H CB 0.340 30.148 29.762 0.076 0.000 1.389 1316 H HN 0.391 nan 8.280 nan 0.000 0.511 1317 C N -0.560 118.852 119.300 0.185 0.000 3.491 1317 C HA 0.367 4.827 4.460 -0.000 0.000 0.298 1317 C C 0.706 175.738 174.990 0.070 0.000 1.424 1317 C CA 0.018 59.108 59.018 0.120 0.000 1.772 1317 C CB 0.841 28.692 27.740 0.185 0.000 2.447 1317 C HN 0.528 nan 8.230 nan 0.000 0.670 1318 E N -0.148 120.095 120.200 0.071 0.000 3.673 1318 E HA -0.170 4.180 4.350 -0.000 0.000 0.309 1318 E C -0.475 176.161 176.600 0.060 0.000 0.819 1318 E CA 1.175 57.605 56.400 0.049 0.000 1.111 1318 E CB -1.453 28.257 29.700 0.017 0.000 1.561 1318 E HN 0.773 nan 8.360 nan 0.000 0.450 1319 Q N 0.208 120.058 119.800 0.082 0.000 2.327 1319 Q HA 0.400 4.740 4.340 -0.000 0.000 0.254 1319 Q C 0.734 176.810 176.000 0.126 0.000 0.952 1319 Q CA -0.015 55.830 55.803 0.070 0.000 0.884 1319 Q CB 0.791 29.550 28.738 0.035 0.000 1.224 1319 Q HN 0.250 nan 8.270 nan 0.000 0.422 1320 L N 2.469 123.754 121.223 0.104 0.000 2.312 1320 L HA 0.354 4.694 4.340 -0.000 0.000 0.281 1320 L C 0.149 177.145 176.870 0.210 0.000 1.070 1320 L CA -0.409 54.531 54.840 0.166 0.000 0.805 1320 L CB 0.414 42.525 42.059 0.086 0.000 1.174 1320 L HN 0.484 nan 8.230 nan 0.000 0.434 1321 F N 0.754 120.718 119.950 0.023 0.000 2.471 1321 F HA 0.110 4.637 4.527 -0.000 0.000 0.353 1321 F C 1.267 177.060 175.800 -0.012 0.000 1.113 1321 F CA -0.550 57.452 58.000 0.004 0.000 1.262 1321 F CB 1.184 40.178 39.000 -0.011 0.000 1.146 1321 F HN 0.475 nan 8.300 nan 0.000 0.578 1322 T N 0.544 115.170 114.554 0.120 0.000 2.882 1322 T HA 0.206 4.556 4.350 -0.000 0.000 0.287 1322 T C -1.950 172.795 174.700 0.075 0.000 1.014 1322 T CA -1.773 60.369 62.100 0.069 0.000 1.049 1322 T CB 1.464 70.342 68.868 0.016 0.000 1.001 1322 T HN 0.260 nan 8.240 nan 0.000 0.525 1323 P HA -0.100 nan 4.420 nan 0.000 0.215 1323 P C 1.660 178.949 177.300 -0.018 0.000 1.157 1323 P CA 0.430 63.528 63.100 -0.002 0.000 0.874 1323 P CB -0.054 31.638 31.700 -0.014 0.000 0.790 1324 L N -0.297 120.918 121.223 -0.014 0.000 2.083 1324 L HA -0.181 4.159 4.340 -0.000 0.000 0.209 1324 L C 2.209 179.067 176.870 -0.020 0.000 1.083 1324 L CA 1.881 56.707 54.840 -0.024 0.000 0.752 1324 L CB -1.417 40.628 42.059 -0.023 0.000 0.899 1324 L HN -0.048 nan 8.230 nan 0.000 0.433 1325 Q N -1.259 118.539 119.800 -0.004 0.000 2.226 1325 Q HA -0.204 4.136 4.340 -0.000 0.000 0.204 1325 Q C 2.059 178.113 176.000 0.091 0.000 0.975 1325 Q CA 1.685 57.483 55.803 -0.009 0.000 0.866 1325 Q CB -0.215 28.468 28.738 -0.090 0.000 0.915 1325 Q HN 0.517 nan 8.270 nan 0.000 0.440 1326 L N -0.122 121.172 121.223 0.118 0.000 2.102 1326 L HA -0.076 4.264 4.340 -0.000 0.000 0.202 1326 L C 2.330 179.141 176.870 -0.098 0.000 1.076 1326 L CA 2.161 57.025 54.840 0.039 0.000 0.761 1326 L CB -0.803 41.202 42.059 -0.089 0.000 0.921 1326 L HN 0.221 nan 8.230 nan 0.000 0.444 1327 T N -2.975 111.510 114.554 -0.114 0.000 2.904 1327 T HA -0.114 4.236 4.350 -0.000 0.000 0.267 1327 T C 2.024 176.675 174.700 -0.082 0.000 1.059 1327 T CA 1.155 63.165 62.100 -0.150 0.000 1.137 1327 T CB -0.985 67.802 68.868 -0.134 0.000 0.879 1327 T HN 0.524 nan 8.240 nan 0.000 0.467 1328 S N 1.785 117.458 115.700 -0.046 0.000 2.399 1328 S HA -0.188 4.282 4.470 -0.000 0.000 0.231 1328 S C 2.195 176.796 174.600 0.002 0.000 1.022 1328 S CA 0.875 59.066 58.200 -0.015 0.000 0.983 1328 S CB -0.642 62.543 63.200 -0.025 0.000 0.803 1328 S HN 0.667 nan 8.310 nan 0.000 0.480 1329 Q N 0.612 120.395 119.800 -0.028 0.000 2.123 1329 Q HA 0.137 4.477 4.340 -0.000 0.000 0.199 1329 Q C 2.286 178.268 176.000 -0.029 0.000 0.966 1329 Q CA 1.307 57.099 55.803 -0.017 0.000 0.845 1329 Q CB -0.371 28.341 28.738 -0.043 0.000 0.907 1329 Q HN 0.590 nan 8.270 nan 0.000 0.439 1330 I N 0.929 121.431 120.570 -0.113 0.000 2.127 1330 I HA -0.313 3.857 4.170 -0.000 0.000 0.241 1330 I C 2.429 178.503 176.117 -0.072 0.000 1.075 1330 I CA 1.496 62.687 61.300 -0.182 0.000 1.334 1330 I CB -0.294 37.545 38.000 -0.268 0.000 1.040 1330 I HN 0.287 nan 8.210 nan 0.000 0.405 1331 E N 0.130 120.325 120.200 -0.008 0.000 2.110 1331 E HA -0.307 4.043 4.350 -0.000 0.000 0.193 1331 E C 2.147 178.770 176.600 0.039 0.000 0.988 1331 E CA 1.365 57.797 56.400 0.053 0.000 0.804 1331 E CB -0.061 29.706 29.700 0.112 0.000 0.745 1331 E HN 0.486 nan 8.360 nan 0.000 0.458 1332 H N -0.446 118.615 119.070 -0.015 0.000 2.353 1332 H HA -0.074 4.482 4.556 0.000 0.000 0.300 1332 H C 2.167 177.508 175.328 0.022 0.000 1.090 1332 H CA 2.001 58.047 56.048 -0.003 0.000 1.327 1332 H CB -0.261 29.495 29.762 -0.009 0.000 1.383 1332 H HN 0.105 nan 8.280 nan 0.000 0.508 1333 S N -0.579 115.170 115.700 0.081 0.000 2.356 1333 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 1333 S C 2.255 177.005 174.600 0.250 0.000 1.032 1333 S CA 1.351 59.637 58.200 0.143 0.000 1.005 1333 S CB -0.442 62.853 63.200 0.158 0.000 0.867 1333 S HN 0.500 nan 8.310 nan 0.000 0.449 1334 I N 1.317 121.989 120.570 0.169 0.000 2.151 1334 I HA -0.198 3.972 4.170 -0.000 0.000 0.243 1334 I C 2.809 178.873 176.117 -0.088 0.000 1.080 1334 I CA 1.308 62.654 61.300 0.077 0.000 1.339 1334 I CB -0.330 37.580 38.000 -0.149 0.000 1.039 1334 I HN 0.245 nan 8.210 nan 0.000 0.409 1335 R N 0.705 121.090 120.500 -0.193 0.000 2.148 1335 R HA -0.034 4.306 4.340 -0.000 0.000 0.227 1335 R C 2.225 178.459 176.300 -0.109 0.000 1.103 1335 R CA 1.276 57.268 56.100 -0.180 0.000 0.983 1335 R CB -0.705 29.504 30.300 -0.153 0.000 0.874 1335 R HN 0.400 nan 8.270 nan 0.000 0.451 1336 A N 0.695 123.429 122.820 -0.144 0.000 1.898 1336 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 1336 A C 1.897 179.466 177.584 -0.025 0.000 1.181 1336 A CA 1.012 52.971 52.037 -0.130 0.000 0.620 1336 A CB -0.616 18.262 19.000 -0.204 0.000 0.819 1336 A HN 0.299 nan 8.150 nan 0.000 0.442 1337 H N -0.382 118.710 119.070 0.036 0.000 2.353 1337 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 1337 H C 2.113 177.431 175.328 -0.018 0.000 1.090 1337 H CA 1.834 57.946 56.048 0.105 0.000 1.327 1337 H CB -0.163 29.655 29.762 0.094 0.000 1.383 1337 H HN 0.451 nan 8.280 nan 0.000 0.508 1338 I N -0.136 120.458 120.570 0.040 0.000 2.394 1338 I HA -0.228 3.942 4.170 -0.000 0.000 0.251 1338 I C 2.736 178.953 176.117 0.166 0.000 1.136 1338 I CA 0.692 61.985 61.300 -0.011 0.000 1.425 1338 I CB -0.144 37.851 38.000 -0.008 0.000 1.079 1338 I HN 0.101 nan 8.210 nan 0.000 0.425 1339 S N 0.802 116.586 115.700 0.141 0.000 2.355 1339 S HA -0.143 4.327 4.470 -0.000 0.000 0.222 1339 S C 1.950 176.659 174.600 0.181 0.000 1.031 1339 S CA 1.033 59.335 58.200 0.170 0.000 0.993 1339 S CB -0.245 63.007 63.200 0.087 0.000 0.859 1339 S HN 0.308 nan 8.310 nan 0.000 0.453 1340 L N 1.148 122.477 121.223 0.177 0.000 2.042 1340 L HA -0.087 4.253 4.340 -0.000 0.000 0.210 1340 L C 1.965 179.001 176.870 0.277 0.000 1.076 1340 L CA 2.161 57.155 54.840 0.258 0.000 0.749 1340 L CB -1.432 40.809 42.059 0.304 0.000 0.893 1340 L HN 0.546 nan 8.230 nan 0.000 0.432 1341 Y N -0.889 119.384 120.300 -0.045 0.000 2.165 1341 Y HA -0.321 4.229 4.550 0.000 0.000 0.286 1341 Y C 2.002 177.720 175.900 -0.304 0.000 1.155 1341 Y CA 2.046 59.946 58.100 -0.333 0.000 1.164 1341 Y CB -0.545 37.447 38.460 -0.779 0.000 0.978 1341 Y HN 0.298 nan 8.280 nan 0.000 0.513 1342 Y N -0.125 120.118 120.300 -0.095 0.000 2.578 1342 Y HA 0.154 4.704 4.550 -0.000 0.000 0.297 1342 Y C 2.338 178.156 175.900 -0.137 0.000 1.176 1342 Y CA 0.278 58.268 58.100 -0.184 0.000 1.315 1342 Y CB -0.757 37.674 38.460 -0.048 0.000 1.031 1342 Y HN 0.286 nan 8.280 nan 0.000 0.524 1343 A N -0.085 122.765 122.820 0.050 0.000 2.019 1343 A HA 0.131 4.451 4.320 -0.000 0.000 0.219 1343 A C 2.204 179.670 177.584 -0.198 0.000 1.164 1343 A CA 1.278 53.287 52.037 -0.047 0.000 0.644 1343 A CB -1.091 17.946 19.000 0.062 0.000 0.805 1343 A HN 0.619 nan 8.150 nan 0.000 0.449 1344 G N -2.801 105.934 108.800 -0.108 0.000 2.160 1344 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.244 1344 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.244 1344 G C -0.134 174.826 174.900 0.100 0.000 1.022 1344 G CA -0.009 45.082 45.100 -0.015 0.000 0.741 1344 G HN 0.477 nan 8.290 nan 0.000 0.508 1345 W N -0.888 120.492 121.300 0.132 0.000 2.223 1345 W HA 0.539 5.199 4.660 -0.000 0.000 0.334 1345 W C 0.721 177.329 176.519 0.148 0.000 1.334 1345 W CA -0.373 57.042 57.345 0.116 0.000 1.246 1345 W CB 0.371 29.885 29.460 0.091 0.000 1.184 1345 W HN 0.178 nan 8.180 nan 0.000 0.563 1346 L N 2.298 123.718 121.223 0.329 0.000 2.341 1346 L HA 0.492 4.832 4.340 -0.000 0.000 0.267 1346 L C -0.145 176.816 176.870 0.152 0.000 1.009 1346 L CA -0.968 53.963 54.840 0.150 0.000 0.819 1346 L CB 1.788 43.841 42.059 -0.009 0.000 1.323 1346 L HN 0.404 nan 8.230 nan 0.000 0.425 1347 Q N 0.593 120.445 119.800 0.086 0.000 2.397 1347 Q HA 0.489 4.829 4.340 -0.000 0.000 0.275 1347 Q C -1.598 174.420 176.000 0.030 0.000 1.090 1347 Q CA -0.692 55.149 55.803 0.062 0.000 0.809 1347 Q CB 2.495 31.266 28.738 0.056 0.000 1.362 1347 Q HN 0.779 nan 8.270 nan 0.000 0.431 1348 C N 3.511 122.825 119.300 0.023 0.000 2.347 1348 C HA 0.240 4.700 4.460 -0.000 0.000 0.353 1348 C C 1.279 176.275 174.990 0.009 0.000 1.273 1348 C CA -0.229 58.796 59.018 0.012 0.000 1.861 1348 C CB -0.145 27.602 27.740 0.012 0.000 2.420 1348 C HN 1.020 nan 8.230 nan 0.000 0.542 1349 D N 1.861 122.265 120.400 0.006 0.000 2.242 1349 D HA -0.153 4.487 4.640 -0.000 0.000 0.190 1349 D C 0.617 176.918 176.300 0.002 0.000 1.012 1349 D CA 1.917 55.920 54.000 0.005 0.000 0.875 1349 D CB -0.167 40.634 40.800 0.002 0.000 0.922 1349 D HN 0.832 nan 8.370 nan 0.000 0.448 1350 D N -0.974 119.427 120.400 0.001 0.000 2.358 1350 D HA 0.013 4.653 4.640 -0.000 0.000 0.258 1350 D C 1.105 177.405 176.300 -0.000 0.000 1.223 1350 D CA 0.196 54.196 54.000 -0.000 0.000 0.886 1350 D CB 0.892 41.691 40.800 -0.002 0.000 1.120 1350 D HN 0.028 nan 8.370 nan 0.000 0.482 1351 S N 1.716 117.415 115.700 -0.001 0.000 2.419 1351 S HA -0.182 4.288 4.470 -0.000 0.000 0.233 1351 S C 1.523 176.122 174.600 -0.002 0.000 1.016 1351 S CA 1.277 59.476 58.200 -0.002 0.000 0.974 1351 S CB -0.620 62.579 63.200 -0.003 0.000 0.786 1351 S HN 0.550 nan 8.310 nan 0.000 0.492 1352 T N -2.309 112.244 114.554 -0.002 0.000 3.324 1352 T HA 0.340 4.690 4.350 -0.000 0.000 0.250 1352 T C 0.985 175.685 174.700 -0.000 0.000 1.059 1352 T CA 0.098 62.197 62.100 -0.002 0.000 0.951 1352 T CB -0.459 68.408 68.868 -0.002 0.000 1.030 1352 T HN 0.634 nan 8.240 nan 0.000 0.576 1353 C N -0.649 118.651 119.300 0.001 0.000 3.154 1353 C HA 0.650 5.110 4.460 -0.000 0.000 0.284 1353 C C 2.353 177.346 174.990 0.005 0.000 2.328 1353 C CA 0.968 59.988 59.018 0.003 0.000 1.586 1353 C CB 0.142 27.884 27.740 0.004 0.000 1.551 1353 C HN 0.840 nan 8.230 nan 0.000 0.693 1354 G N 2.335 111.138 108.800 0.006 0.000 2.189 1354 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.267 1354 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.267 1354 G C 0.168 175.076 174.900 0.012 0.000 0.975 1354 G CA 0.734 45.837 45.100 0.006 0.000 0.644 1354 G HN 1.676 nan 8.290 nan 0.000 0.537 1355 I N -0.823 119.759 120.570 0.020 0.000 2.815 1355 I HA 0.521 4.691 4.170 -0.000 0.000 0.291 1355 I C 0.784 176.934 176.117 0.054 0.000 1.209 1355 I CA -0.516 60.804 61.300 0.034 0.000 1.431 1355 I CB 1.061 39.085 38.000 0.039 0.000 1.351 1355 I HN 0.479 nan 8.210 nan 0.000 0.585 1356 V N 2.919 122.878 119.914 0.075 0.000 2.513 1356 V HA 0.888 5.008 4.120 -0.000 0.000 0.299 1356 V C -0.260 175.990 176.094 0.261 0.000 1.035 1356 V CA 0.062 62.447 62.300 0.142 0.000 0.889 1356 V CB 1.427 33.283 31.823 0.056 0.000 0.988 1356 V HN 1.078 nan 8.190 nan 0.000 0.440 1357 T N 3.534 118.298 114.554 0.349 0.000 2.802 1357 T HA 0.503 4.853 4.350 -0.000 0.000 0.311 1357 T C 0.144 174.939 174.700 0.159 0.000 1.405 1357 T CA -0.559 61.704 62.100 0.270 0.000 1.016 1357 T CB 2.088 71.027 68.868 0.118 0.000 1.352 1357 T HN 0.822 nan 8.240 nan 0.000 0.498 1358 R N 0.593 121.035 120.500 -0.096 0.000 2.397 1358 R HA 0.260 4.600 4.340 -0.000 0.000 0.241 1358 R C 0.342 176.573 176.300 -0.116 0.000 0.914 1358 R CA -0.429 55.529 56.100 -0.235 0.000 1.071 1358 R CB 0.402 30.371 30.300 -0.552 0.000 1.116 1358 R HN 0.421 nan 8.270 nan 0.000 0.524 1359 Q N 1.269 121.034 119.800 -0.059 0.000 2.332 1359 Q HA 0.169 4.509 4.340 -0.000 0.000 0.263 1359 Q C -0.493 175.487 176.000 -0.032 0.000 0.979 1359 Q CA 0.348 56.129 55.803 -0.038 0.000 0.885 1359 Q CB 1.848 30.577 28.738 -0.015 0.000 1.218 1359 Q HN -0.065 nan 8.270 nan 0.000 0.405 1360 V N 1.638 121.532 119.914 -0.033 0.000 2.531 1360 V HA 0.225 4.345 4.120 -0.000 0.000 0.301 1360 V C 0.164 176.244 176.094 -0.022 0.000 1.034 1360 V CA -0.772 61.506 62.300 -0.037 0.000 0.865 1360 V CB 1.885 33.684 31.823 -0.040 0.000 0.995 1360 V HN 0.789 nan 8.190 nan 0.000 0.424 1361 S N 2.935 118.632 115.700 -0.006 0.000 2.564 1361 S HA 0.171 4.641 4.470 -0.000 0.000 0.278 1361 S C 1.436 176.029 174.600 -0.011 0.000 1.333 1361 S CA -0.015 58.195 58.200 0.016 0.000 1.048 1361 S CB 1.508 64.750 63.200 0.070 0.000 0.900 1361 S HN 1.211 nan 8.310 nan 0.000 0.505 1362 V N 2.740 122.622 119.914 -0.053 0.000 2.660 1362 V HA 0.047 4.167 4.120 -0.000 0.000 0.257 1362 V C 0.443 176.360 176.094 -0.294 0.000 1.088 1362 V CA 1.190 63.391 62.300 -0.166 0.000 1.106 1362 V CB -1.256 30.444 31.823 -0.206 0.000 0.686 1362 V HN 0.699 nan 8.190 nan 0.000 0.481 1363 F N 1.966 121.905 119.950 -0.018 0.000 2.329 1363 F HA 0.704 5.231 4.527 -0.000 0.000 0.362 1363 F C 1.705 177.487 175.800 -0.030 0.000 1.113 1363 F CA -0.233 57.755 58.000 -0.019 0.000 1.212 1363 F CB 0.603 39.593 39.000 -0.016 0.000 1.509 1363 F HN 0.059 nan 8.300 nan 0.000 0.546 1364 G N 2.339 111.194 108.800 0.092 0.000 2.469 1364 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 1364 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 1364 G C 1.621 176.517 174.900 -0.006 0.000 1.150 1364 G CA 0.602 45.709 45.100 0.011 0.000 0.763 1364 G HN 0.463 nan 8.290 nan 0.000 0.561 1365 K N -0.171 120.244 120.400 0.025 0.000 2.486 1365 K HA 0.082 4.402 4.320 -0.000 0.000 0.194 1365 K C 1.246 177.850 176.600 0.007 0.000 1.033 1365 K CA -0.328 55.958 56.287 -0.002 0.000 1.004 1365 K CB 0.178 32.683 32.500 0.008 0.000 0.798 1365 K HN 0.153 nan 8.250 nan 0.000 0.495 1366 R N 1.081 121.604 120.500 0.038 0.000 2.340 1366 R HA 0.078 4.418 4.340 -0.000 0.000 0.300 1366 R C -0.670 175.639 176.300 0.016 0.000 1.069 1366 R CA -0.284 55.830 56.100 0.024 0.000 0.984 1366 R CB 0.663 30.994 30.300 0.050 0.000 1.003 1366 R HN 0.087 nan 8.270 nan 0.000 0.459 1367 C N 5.672 124.974 119.300 0.003 0.000 2.593 1367 C HA 0.185 4.645 4.460 -0.000 0.000 0.409 1367 C C 1.684 176.681 174.990 0.012 0.000 1.304 1367 C CA -0.527 58.494 59.018 0.005 0.000 2.007 1367 C CB -0.546 27.195 27.740 0.002 0.000 2.614 1367 C HN 0.974 nan 8.230 nan 0.000 0.585 1368 L N 3.971 125.203 121.223 0.015 0.000 2.554 1368 L HA 0.075 4.415 4.340 -0.000 0.000 0.226 1368 L C 0.787 177.666 176.870 0.016 0.000 1.137 1368 L CA 0.284 55.135 54.840 0.018 0.000 0.863 1368 L CB -0.691 41.380 42.059 0.020 0.000 0.985 1368 L HN 0.707 nan 8.230 nan 0.000 0.451 1369 N N 0.994 119.702 118.700 0.013 0.000 2.452 1369 N HA -0.034 4.706 4.740 -0.000 0.000 0.266 1369 N C -0.179 175.335 175.510 0.006 0.000 1.175 1369 N CA -0.046 53.010 53.050 0.010 0.000 0.945 1369 N CB 0.276 38.768 38.487 0.009 0.000 1.063 1369 N HN -0.022 nan 8.380 nan 0.000 0.472 1370 D N 2.621 123.025 120.400 0.006 0.000 2.819 1370 D HA -0.014 4.626 4.640 -0.000 0.000 0.236 1370 D C 1.212 177.512 176.300 -0.001 0.000 1.181 1370 D CA 1.807 55.808 54.000 0.003 0.000 0.855 1370 D CB -0.268 40.534 40.800 0.004 0.000 1.146 1370 D HN 0.762 nan 8.370 nan 0.000 0.540 1371 G N 2.869 111.666 108.800 -0.005 0.000 2.162 1371 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.260 1371 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.260 1371 G C 0.712 175.605 174.900 -0.011 0.000 0.976 1371 G CA 0.171 45.265 45.100 -0.010 0.000 0.655 1371 G HN 0.843 nan 8.290 nan 0.000 0.533 1372 C N 2.055 121.350 119.300 -0.008 0.000 2.632 1372 C HA 0.623 5.083 4.460 -0.000 0.000 0.415 1372 C C 2.186 177.168 174.990 -0.013 0.000 1.332 1372 C CA 1.011 60.024 59.018 -0.007 0.000 1.874 1372 C CB 0.080 27.819 27.740 -0.002 0.000 2.596 1372 C HN 0.883 nan 8.230 nan 0.000 0.590 1373 T N 2.725 117.271 114.554 -0.014 0.000 3.086 1373 T HA 0.264 4.614 4.350 -0.000 0.000 0.250 1373 T C 0.859 175.549 174.700 -0.016 0.000 1.074 1373 T CA 0.363 62.451 62.100 -0.019 0.000 0.988 1373 T CB -0.186 68.671 68.868 -0.018 0.000 0.988 1373 T HN 0.962 nan 8.240 nan 0.000 0.530 1374 G N 1.010 109.804 108.800 -0.011 0.000 2.634 1374 G HA2 0.484 4.444 3.960 -0.000 0.000 0.255 1374 G HA3 0.484 4.444 3.960 -0.000 0.000 0.255 1374 G C -0.622 174.273 174.900 -0.009 0.000 1.205 1374 G CA -0.498 44.597 45.100 -0.008 0.000 0.884 1374 G HN 0.352 nan 8.290 nan 0.000 0.549 1375 V N 2.283 122.193 119.914 -0.007 0.000 2.472 1375 V HA 0.325 4.445 4.120 -0.000 0.000 0.290 1375 V C 0.174 176.262 176.094 -0.011 0.000 1.037 1375 V CA -0.824 61.471 62.300 -0.009 0.000 0.908 1375 V CB 1.548 33.368 31.823 -0.005 0.000 0.985 1375 V HN 0.575 nan 8.190 nan 0.000 0.454 1376 M N 4.916 124.502 119.600 -0.023 0.000 2.216 1376 M HA 0.550 5.030 4.480 -0.000 0.000 0.356 1376 M C -0.165 176.096 176.300 -0.066 0.000 1.205 1376 M CA 0.109 55.384 55.300 -0.041 0.000 1.122 1376 M CB 0.931 33.494 32.600 -0.062 0.000 1.571 1376 M HN 0.593 nan 8.290 nan 0.000 0.464 1377 R N 1.314 121.782 120.500 -0.054 0.000 2.673 1377 R HA 0.420 4.760 4.340 -0.000 0.000 0.281 1377 R C -1.393 174.895 176.300 -0.020 0.000 0.991 1377 R CA -0.830 55.244 56.100 -0.043 0.000 0.896 1377 R CB 1.843 32.163 30.300 0.034 0.000 1.201 1377 R HN 0.388 nan 8.270 nan 0.000 0.457 1378 Y N 2.306 122.641 120.300 0.057 0.000 2.805 1378 Y HA -0.160 4.390 4.550 0.000 0.000 0.331 1378 Y C 1.700 177.666 175.900 0.109 0.000 1.241 1378 Y CA 0.550 58.691 58.100 0.069 0.000 1.546 1378 Y CB 0.319 38.796 38.460 0.029 0.000 1.248 1378 Y HN 0.586 nan 8.280 nan 0.000 0.559 1379 K N 2.564 123.155 120.400 0.319 0.000 2.148 1379 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 1379 K C -0.051 176.695 176.600 0.242 0.000 1.050 1379 K CA 0.923 57.345 56.287 0.224 0.000 0.942 1379 K CB 0.025 32.646 32.500 0.202 0.000 0.724 1379 K HN 0.559 nan 8.250 nan 0.000 0.446 1380 Y N 2.165 122.572 120.300 0.179 0.000 2.804 1380 Y HA 0.212 4.762 4.550 -0.000 0.000 0.330 1380 Y C -0.573 175.447 175.900 0.200 0.000 1.092 1380 Y CA -1.908 56.298 58.100 0.176 0.000 1.315 1380 Y CB -0.211 38.373 38.460 0.207 0.000 1.188 1380 Y HN 0.057 nan 8.280 nan 0.000 0.512 1381 S N 1.320 117.277 115.700 0.428 0.000 2.589 1381 S HA 0.008 4.478 4.470 -0.000 0.000 0.265 1381 S C 0.989 175.789 174.600 0.333 0.000 1.342 1381 S CA -0.081 58.311 58.200 0.320 0.000 1.005 1381 S CB 0.935 64.274 63.200 0.233 0.000 0.909 1381 S HN 0.628 nan 8.310 nan 0.000 0.555 1382 D N 0.347 120.900 120.400 0.255 0.000 2.269 1382 D HA -0.139 4.501 4.640 -0.000 0.000 0.208 1382 D C 1.482 177.846 176.300 0.106 0.000 0.963 1382 D CA 1.006 55.094 54.000 0.147 0.000 0.864 1382 D CB -0.254 40.609 40.800 0.105 0.000 0.936 1382 D HN 0.676 nan 8.370 nan 0.000 0.505 1383 K N 0.090 120.577 120.400 0.145 0.000 2.097 1383 K HA -0.170 4.150 4.320 -0.000 0.000 0.206 1383 K C 2.160 178.876 176.600 0.192 0.000 1.049 1383 K CA 1.177 57.565 56.287 0.168 0.000 0.933 1383 K CB 0.048 32.629 32.500 0.136 0.000 0.717 1383 K HN 0.156 nan 8.250 nan 0.000 0.442 1384 Q N 0.191 120.118 119.800 0.211 0.000 2.083 1384 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 1384 Q C 2.082 178.241 176.000 0.266 0.000 0.969 1384 Q CA 1.025 56.964 55.803 0.227 0.000 0.838 1384 Q CB -0.053 28.839 28.738 0.257 0.000 0.900 1384 Q HN 0.204 nan 8.270 nan 0.000 0.436 1385 L N -0.222 121.143 121.223 0.237 0.000 2.017 1385 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 1385 L C 2.175 179.020 176.870 -0.042 0.000 1.073 1385 L CA 1.785 56.597 54.840 -0.047 0.000 0.745 1385 L CB -0.672 41.034 42.059 -0.588 0.000 0.894 1385 L HN 0.221 nan 8.230 nan 0.000 0.432 1386 Y N 0.356 120.595 120.300 -0.103 0.000 2.181 1386 Y HA -0.239 4.311 4.550 0.000 0.000 0.288 1386 Y C 2.396 178.303 175.900 0.012 0.000 1.146 1386 Y CA 1.939 60.006 58.100 -0.055 0.000 1.164 1386 Y CB -0.434 38.009 38.460 -0.027 0.000 0.982 1386 Y HN 0.342 nan 8.280 nan 0.000 0.515 1387 N N 0.323 119.030 118.700 0.012 0.000 2.166 1387 N HA -0.198 4.542 4.740 -0.000 0.000 0.186 1387 N C 1.813 177.305 175.510 -0.030 0.000 1.019 1387 N CA 1.510 54.581 53.050 0.035 0.000 0.856 1387 N CB -0.525 38.039 38.487 0.128 0.000 0.993 1387 N HN 0.458 nan 8.380 nan 0.000 0.426 1388 Q N 0.828 120.543 119.800 -0.141 0.000 2.079 1388 Q HA 0.074 4.414 4.340 -0.000 0.000 0.200 1388 Q C 1.986 177.664 176.000 -0.537 0.000 0.974 1388 Q CA 1.107 56.680 55.803 -0.383 0.000 0.840 1388 Q CB -0.288 28.183 28.738 -0.445 0.000 0.898 1388 Q HN 0.371 nan 8.270 nan 0.000 0.430 1389 L N -0.457 120.555 121.223 -0.352 0.000 2.093 1389 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 1389 L C 2.254 179.036 176.870 -0.147 0.000 1.085 1389 L CA 0.744 55.450 54.840 -0.222 0.000 0.755 1389 L CB -0.375 41.633 42.059 -0.084 0.000 0.904 1389 L HN 0.264 nan 8.230 nan 0.000 0.435 1390 L N -1.425 119.677 121.223 -0.202 0.000 2.201 1390 L HA -0.237 4.103 4.340 -0.000 0.000 0.212 1390 L C 2.569 179.307 176.870 -0.220 0.000 1.105 1390 L CA 1.012 55.778 54.840 -0.122 0.000 0.775 1390 L CB -0.477 41.539 42.059 -0.071 0.000 0.913 1390 L HN 0.264 nan 8.230 nan 0.000 0.440 1391 Y N -0.050 119.847 120.300 -0.672 0.000 2.153 1391 Y HA -0.250 4.300 4.550 0.000 0.000 0.289 1391 Y C 2.345 178.043 175.900 -0.337 0.000 1.127 1391 Y CA 1.290 58.729 58.100 -1.103 0.000 1.131 1391 Y CB -0.324 37.467 38.460 -1.115 0.000 0.995 1391 Y HN -0.050 nan 8.280 nan 0.000 0.505 1392 F N 1.169 120.875 119.950 -0.406 0.000 2.091 1392 F HA -0.230 4.297 4.527 0.000 0.000 0.299 1392 F C 2.381 178.111 175.800 -0.116 0.000 1.103 1392 F CA 1.701 59.547 58.000 -0.256 0.000 1.228 1392 F CB -1.455 37.530 39.000 -0.025 0.000 0.984 1392 F HN 0.245 nan 8.300 nan 0.000 0.477 1393 D N -0.098 120.370 120.400 0.113 0.000 2.123 1393 D HA -0.171 4.469 4.640 -0.000 0.000 0.196 1393 D C 2.314 178.640 176.300 0.043 0.000 0.992 1393 D CA 1.756 55.825 54.000 0.117 0.000 0.833 1393 D CB -0.113 40.728 40.800 0.068 0.000 0.954 1393 D HN 0.223 nan 8.370 nan 0.000 0.455 1394 S N -0.330 115.312 115.700 -0.097 0.000 2.399 1394 S HA -0.151 4.319 4.470 -0.000 0.000 0.231 1394 S C 2.245 176.730 174.600 -0.191 0.000 1.022 1394 S CA 0.684 58.822 58.200 -0.104 0.000 0.983 1394 S CB -0.785 62.351 63.200 -0.106 0.000 0.803 1394 S HN 0.377 nan 8.310 nan 0.000 0.480 1395 L N -0.772 120.228 121.223 -0.373 0.000 2.127 1395 L HA 0.009 4.349 4.340 -0.000 0.000 0.211 1395 L C 1.317 177.823 176.870 -0.607 0.000 1.089 1395 L CA 1.342 55.833 54.840 -0.581 0.000 0.757 1395 L CB -0.475 41.097 42.059 -0.812 0.000 0.899 1395 L HN 0.352 nan 8.230 nan 0.000 0.434 1396 F N -1.689 118.264 119.950 0.005 0.000 2.684 1396 F HA 0.180 4.707 4.527 -0.000 0.000 0.298 1396 F C 0.629 176.440 175.800 0.018 0.000 1.120 1396 F CA -0.703 57.316 58.000 0.030 0.000 1.332 1396 F CB 0.102 39.104 39.000 0.004 0.000 0.986 1396 F HN -0.104 nan 8.300 nan 0.000 0.524 1397 D N 0.087 120.541 120.400 0.089 0.000 2.347 1397 D HA 0.126 4.766 4.640 -0.000 0.000 0.235 1397 D C 1.012 177.343 176.300 0.050 0.000 1.149 1397 D CA -0.009 54.035 54.000 0.072 0.000 0.850 1397 D CB 1.333 42.165 40.800 0.052 0.000 1.061 1397 D HN 0.129 nan 8.370 nan 0.000 0.487 1398 C N 3.457 122.794 119.300 0.061 0.000 2.436 1398 C HA -0.096 4.364 4.460 -0.000 0.000 0.277 1398 C C 2.425 177.436 174.990 0.036 0.000 1.241 1398 C CA 0.221 59.269 59.018 0.050 0.000 1.721 1398 C CB -0.392 27.380 27.740 0.053 0.000 2.043 1398 C HN 0.705 nan 8.230 nan 0.000 0.472 1399 E N 1.127 121.348 120.200 0.036 0.000 2.097 1399 E HA -0.198 4.152 4.350 -0.000 0.000 0.196 1399 E C 2.137 178.753 176.600 0.026 0.000 1.000 1399 E CA 1.363 57.781 56.400 0.030 0.000 0.804 1399 E CB -0.365 29.354 29.700 0.031 0.000 0.740 1399 E HN 0.644 nan 8.360 nan 0.000 0.454 1400 K N 0.332 120.749 120.400 0.028 0.000 2.057 1400 K HA -0.036 4.284 4.320 -0.000 0.000 0.206 1400 K C 1.999 178.605 176.600 0.010 0.000 1.050 1400 K CA 0.697 56.998 56.287 0.025 0.000 0.935 1400 K CB -0.100 32.420 32.500 0.033 0.000 0.715 1400 K HN 0.117 nan 8.250 nan 0.000 0.439 1401 N N 1.151 119.851 118.700 -0.000 0.000 2.069 1401 N HA -0.176 4.564 4.740 -0.000 0.000 0.191 1401 N C 1.630 177.140 175.510 0.001 0.000 1.031 1401 N CA 1.315 54.358 53.050 -0.012 0.000 0.852 1401 N CB 0.003 38.483 38.487 -0.010 0.000 1.018 1401 N HN 0.230 nan 8.380 nan 0.000 0.423 1402 K N 1.183 121.590 120.400 0.012 0.000 2.057 1402 K HA -0.037 4.283 4.320 -0.000 0.000 0.206 1402 K C 1.635 178.243 176.600 0.012 0.000 1.050 1402 K CA 0.925 57.221 56.287 0.014 0.000 0.935 1402 K CB 0.002 32.513 32.500 0.019 0.000 0.715 1402 K HN 0.130 nan 8.250 nan 0.000 0.439 1403 K N 0.945 121.353 120.400 0.014 0.000 2.555 1403 K HA -0.036 4.284 4.320 -0.000 0.000 0.193 1403 K C -0.174 176.435 176.600 0.014 0.000 1.032 1403 K CA 0.278 56.574 56.287 0.015 0.000 1.004 1403 K CB 0.093 32.604 32.500 0.018 0.000 0.804 1403 K HN 0.138 nan 8.250 nan 0.000 0.496 1404 Q N 0.083 119.890 119.800 0.011 0.000 2.463 1404 Q HA -0.225 4.115 4.340 -0.000 0.000 0.299 1404 Q C -0.489 175.523 176.000 0.019 0.000 1.353 1404 Q CA 0.572 56.381 55.803 0.010 0.000 0.828 1404 Q CB -1.415 27.328 28.738 0.010 0.000 1.157 1404 Q HN 0.431 nan 8.270 nan 0.000 0.436 1405 E N -0.129 120.086 120.200 0.025 0.000 2.476 1405 E HA 0.141 4.491 4.350 -0.000 0.000 0.196 1405 E C 0.043 176.683 176.600 0.067 0.000 1.029 1405 E CA -0.152 56.274 56.400 0.043 0.000 0.896 1405 E CB 0.421 30.148 29.700 0.044 0.000 1.012 1405 E HN 0.383 nan 8.360 nan 0.000 0.475 1406 L N 1.462 122.711 121.223 0.044 0.000 2.436 1406 L HA 0.206 4.546 4.340 -0.000 0.000 0.265 1406 L C 0.593 177.520 176.870 0.096 0.000 1.168 1406 L CA -0.470 54.403 54.840 0.055 0.000 0.815 1406 L CB 0.414 42.452 42.059 -0.035 0.000 1.109 1406 L HN -0.049 nan 8.230 nan 0.000 0.462 1407 K N 3.804 124.307 120.400 0.172 0.000 2.412 1407 K HA 0.156 4.476 4.320 -0.000 0.000 0.284 1407 K C -2.132 174.529 176.600 0.101 0.000 1.046 1407 K CA -1.248 55.141 56.287 0.170 0.000 0.999 1407 K CB 0.519 33.173 32.500 0.256 0.000 0.941 1407 K HN 0.295 nan 8.250 nan 0.000 0.474 1408 P HA 0.037 nan 4.420 nan 0.000 0.276 1408 P C 0.448 177.741 177.300 -0.011 0.000 1.235 1408 P CA 0.016 63.142 63.100 0.043 0.000 0.772 1408 P CB 0.790 32.538 31.700 0.080 0.000 0.871 1409 I N 1.890 122.392 120.570 -0.113 0.000 2.315 1409 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 1409 I C 0.382 176.241 176.117 -0.429 0.000 1.117 1409 I CA 1.340 62.427 61.300 -0.354 0.000 1.404 1409 I CB -0.226 37.382 38.000 -0.653 0.000 1.071 1409 I HN 0.291 nan 8.210 nan 0.000 0.419 1410 Y N 1.427 121.797 120.300 0.116 0.000 2.464 1410 Y HA 0.452 5.002 4.550 0.000 0.000 0.326 1410 Y C -0.046 176.021 175.900 0.280 0.000 0.969 1410 Y CA -0.843 57.364 58.100 0.178 0.000 1.270 1410 Y CB 0.420 38.953 38.460 0.122 0.000 1.103 1410 Y HN -0.115 nan 8.280 nan 0.000 0.491 1411 L N 5.596 126.982 121.223 0.273 0.000 2.452 1411 L HA 0.175 4.515 4.340 -0.000 0.000 0.267 1411 L C -1.031 175.822 176.870 -0.028 0.000 1.188 1411 L CA -1.622 53.289 54.840 0.119 0.000 0.821 1411 L CB 0.816 42.899 42.059 0.040 0.000 1.102 1411 L HN 0.357 nan 8.230 nan 0.000 0.470 1412 P HA -0.145 nan 4.420 nan 0.000 0.223 1412 P C 0.123 177.164 177.300 -0.431 0.000 1.144 1412 P CA 1.209 63.651 63.100 -1.097 0.000 0.783 1412 P CB 0.206 31.427 31.700 -0.799 0.000 0.771 1413 D N -0.254 120.035 120.400 -0.185 0.000 2.643 1413 D HA 0.079 4.719 4.640 -0.000 0.000 0.244 1413 D C -0.112 176.191 176.300 0.004 0.000 1.257 1413 D CA 0.041 53.997 54.000 -0.073 0.000 0.831 1413 D CB 0.244 41.007 40.800 -0.061 0.000 1.043 1413 D HN 0.142 nan 8.370 nan 0.000 0.488 1414 D N 0.784 121.220 120.400 0.060 0.000 2.217 1414 D HA 0.150 4.790 4.640 -0.000 0.000 0.243 1414 D C 1.256 177.631 176.300 0.125 0.000 1.054 1414 D CA -0.598 53.478 54.000 0.126 0.000 0.838 1414 D CB 1.874 42.808 40.800 0.223 0.000 1.162 1414 D HN -0.055 nan 8.370 nan 0.000 0.472 1415 L N 2.533 123.813 121.223 0.094 0.000 2.450 1415 L HA -0.091 4.249 4.340 -0.000 0.000 0.224 1415 L C 1.262 178.164 176.870 0.054 0.000 1.149 1415 L CA 0.707 55.588 54.840 0.069 0.000 0.816 1415 L CB 0.014 42.106 42.059 0.055 0.000 0.932 1415 L HN 0.376 nan 8.230 nan 0.000 0.449 1416 D N -1.390 119.048 120.400 0.063 0.000 2.349 1416 D HA -0.083 4.557 4.640 -0.000 0.000 0.224 1416 D C 0.210 176.357 176.300 -0.256 0.000 1.029 1416 D CA 0.086 54.040 54.000 -0.076 0.000 0.879 1416 D CB -0.009 40.780 40.800 -0.018 0.000 0.906 1416 D HN 0.156 nan 8.370 nan 0.000 0.528 1417 Y N 1.898 122.092 120.300 -0.176 0.000 2.544 1417 Y HA 0.170 4.720 4.550 0.000 0.000 0.330 1417 Y C -2.065 173.702 175.900 -0.221 0.000 1.136 1417 Y CA -2.129 55.871 58.100 -0.167 0.000 1.417 1417 Y CB 0.459 38.895 38.460 -0.039 0.000 1.229 1417 Y HN -0.122 nan 8.280 nan 0.000 0.532 1418 P HA -0.019 nan 4.420 nan 0.000 0.260 1418 P C -0.408 176.580 177.300 -0.519 0.000 1.185 1418 P CA 0.376 63.069 63.100 -0.678 0.000 0.763 1418 P CB 0.476 31.773 31.700 -0.672 0.000 0.776 1419 K N 1.902 122.151 120.400 -0.252 0.000 2.632 1419 K HA 0.004 4.324 4.320 -0.000 0.000 0.196 1419 K C 0.309 176.843 176.600 -0.109 0.000 1.023 1419 K CA 0.651 56.873 56.287 -0.108 0.000 1.098 1419 K CB 0.059 32.516 32.500 -0.072 0.000 0.862 1419 K HN 0.557 nan 8.250 nan 0.000 0.504 1420 E N 0.293 120.387 120.200 -0.176 0.000 2.347 1420 E HA 0.132 4.482 4.350 -0.000 0.000 0.285 1420 E C -1.249 175.250 176.600 -0.168 0.000 0.925 1420 E CA -0.569 55.753 56.400 -0.131 0.000 0.779 1420 E CB 1.750 31.382 29.700 -0.113 0.000 1.233 1420 E HN -0.050 nan 8.360 nan 0.000 0.414 1421 Q N 2.157 121.894 119.800 -0.105 0.000 2.245 1421 Q HA 0.428 4.768 4.340 -0.000 0.000 0.256 1421 Q C -0.023 175.932 176.000 -0.074 0.000 0.942 1421 Q CA -0.594 55.151 55.803 -0.096 0.000 0.896 1421 Q CB 1.585 30.303 28.738 -0.033 0.000 1.272 1421 Q HN 0.536 nan 8.270 nan 0.000 0.442 1422 L N 2.058 123.234 121.223 -0.079 0.000 2.485 1422 L HA 0.058 4.398 4.340 -0.000 0.000 0.275 1422 L C 1.024 177.876 176.870 -0.031 0.000 1.207 1422 L CA 0.194 55.001 54.840 -0.055 0.000 0.855 1422 L CB 0.001 42.028 42.059 -0.055 0.000 1.114 1422 L HN 0.702 nan 8.230 nan 0.000 0.485 1423 T N -1.737 112.804 114.554 -0.021 0.000 2.847 1423 T HA 0.102 4.452 4.350 -0.000 0.000 0.279 1423 T C 0.853 175.550 174.700 -0.005 0.000 0.984 1423 T CA -0.718 61.376 62.100 -0.010 0.000 0.988 1423 T CB 1.779 70.643 68.868 -0.007 0.000 1.040 1423 T HN 0.718 nan 8.240 nan 0.000 0.528 1424 E N 0.508 120.708 120.200 -0.000 0.000 2.017 1424 E HA -0.209 4.141 4.350 -0.000 0.000 0.193 1424 E C 2.306 178.910 176.600 0.006 0.000 0.997 1424 E CA 1.666 58.068 56.400 0.003 0.000 0.804 1424 E CB -0.346 29.357 29.700 0.005 0.000 0.757 1424 E HN 0.795 nan 8.360 nan 0.000 0.448 1425 S N 0.368 116.071 115.700 0.005 0.000 2.383 1425 S HA -0.211 4.259 4.470 -0.000 0.000 0.229 1425 S C 2.210 176.817 174.600 0.011 0.000 1.030 1425 S CA 1.923 60.128 58.200 0.008 0.000 1.002 1425 S CB -0.724 62.479 63.200 0.006 0.000 0.829 1425 S HN 0.383 nan 8.310 nan 0.000 0.467 1426 S N 1.636 117.341 115.700 0.009 0.000 2.423 1426 S HA 0.086 4.556 4.470 -0.000 0.000 0.231 1426 S C 1.816 176.427 174.600 0.019 0.000 1.014 1426 S CA 0.913 59.121 58.200 0.014 0.000 0.965 1426 S CB -0.864 62.341 63.200 0.009 0.000 0.785 1426 S HN 0.613 nan 8.310 nan 0.000 0.495 1427 I N 1.412 121.990 120.570 0.013 0.000 2.353 1427 I HA -0.100 4.070 4.170 -0.000 0.000 0.248 1427 I C 2.666 178.797 176.117 0.023 0.000 1.119 1427 I CA 1.011 62.320 61.300 0.016 0.000 1.417 1427 I CB -0.194 37.810 38.000 0.006 0.000 1.078 1427 I HN 0.254 nan 8.210 nan 0.000 0.421 1428 K N 1.014 121.426 120.400 0.020 0.000 2.002 1428 K HA -0.146 4.174 4.320 -0.000 0.000 0.209 1428 K C 2.317 178.934 176.600 0.028 0.000 1.048 1428 K CA 1.562 57.862 56.287 0.022 0.000 0.930 1428 K CB -0.312 32.199 32.500 0.017 0.000 0.714 1428 K HN 0.281 nan 8.250 nan 0.000 0.438 1429 A N 1.836 124.673 122.820 0.028 0.000 1.841 1429 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 1429 A C 2.195 179.809 177.584 0.050 0.000 1.199 1429 A CA 1.509 53.566 52.037 0.034 0.000 0.621 1429 A CB -0.973 18.046 19.000 0.031 0.000 0.835 1429 A HN 0.197 nan 8.150 nan 0.000 0.445 1430 L N -0.620 120.637 121.223 0.057 0.000 2.187 1430 L HA -0.183 4.157 4.340 -0.000 0.000 0.213 1430 L C 2.744 179.659 176.870 0.075 0.000 1.100 1430 L CA 1.632 56.517 54.840 0.075 0.000 0.765 1430 L CB -0.731 41.371 42.059 0.071 0.000 0.904 1430 L HN 0.419 nan 8.230 nan 0.000 0.437 1431 T N -1.154 113.436 114.554 0.060 0.000 2.701 1431 T HA -0.127 4.223 4.350 -0.000 0.000 0.263 1431 T C 1.791 176.527 174.700 0.060 0.000 1.040 1431 T CA 1.028 63.165 62.100 0.061 0.000 1.147 1431 T CB -0.050 68.847 68.868 0.048 0.000 0.865 1431 T HN 0.270 nan 8.240 nan 0.000 0.426 1432 E N 1.553 121.783 120.200 0.050 0.000 2.110 1432 E HA -0.110 4.240 4.350 -0.000 0.000 0.193 1432 E C 2.337 178.968 176.600 0.051 0.000 0.988 1432 E CA 1.022 57.449 56.400 0.045 0.000 0.804 1432 E CB -0.316 29.405 29.700 0.034 0.000 0.745 1432 E HN 0.607 nan 8.360 nan 0.000 0.458 1433 Q N 0.205 120.043 119.800 0.062 0.000 2.170 1433 Q HA -0.045 4.295 4.340 -0.000 0.000 0.203 1433 Q C 1.119 177.172 176.000 0.087 0.000 0.976 1433 Q CA 0.772 56.623 55.803 0.078 0.000 0.858 1433 Q CB 0.056 28.858 28.738 0.106 0.000 0.907 1433 Q HN 0.189 nan 8.270 nan 0.000 0.433 1434 N N 0.038 118.789 118.700 0.086 0.000 2.234 1434 N HA 0.059 4.799 4.740 -0.000 0.000 0.227 1434 N C 0.867 176.424 175.510 0.078 0.000 1.151 1434 N CA -0.041 53.060 53.050 0.086 0.000 0.865 1434 N CB 0.414 38.961 38.487 0.100 0.000 1.066 1434 N HN 0.180 nan 8.380 nan 0.000 0.515 1435 R N 1.669 122.209 120.500 0.067 0.000 2.139 1435 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 1435 R C 1.294 177.626 176.300 0.053 0.000 1.145 1435 R CA 1.615 57.751 56.100 0.060 0.000 0.976 1435 R CB 0.200 30.528 30.300 0.048 0.000 0.866 1435 R HN 0.280 nan 8.270 nan 0.000 0.449 1436 E N 0.032 120.259 120.200 0.045 0.000 2.072 1436 E HA -0.177 4.173 4.350 -0.000 0.000 0.190 1436 E C 1.956 178.569 176.600 0.021 0.000 0.982 1436 E CA 0.990 57.408 56.400 0.030 0.000 0.803 1436 E CB -0.136 29.580 29.700 0.027 0.000 0.755 1436 E HN 0.206 nan 8.360 nan 0.000 0.453 1437 L N 0.973 122.215 121.223 0.031 0.000 1.989 1437 L HA -0.213 4.127 4.340 -0.000 0.000 0.211 1437 L C 2.165 179.049 176.870 0.023 0.000 1.071 1437 L CA 1.754 56.604 54.840 0.017 0.000 0.749 1437 L CB -0.361 41.721 42.059 0.039 0.000 0.890 1437 L HN 0.137 nan 8.230 nan 0.000 0.431 1438 M N -0.736 118.920 119.600 0.093 0.000 2.065 1438 M HA -0.261 4.219 4.480 -0.000 0.000 0.259 1438 M C 2.291 178.648 176.300 0.095 0.000 1.069 1438 M CA 1.878 57.281 55.300 0.171 0.000 1.110 1438 M CB -1.194 31.505 32.600 0.165 0.000 1.328 1438 M HN 0.376 nan 8.290 nan 0.000 0.405 1439 E N -0.359 119.871 120.200 0.050 0.000 2.153 1439 E HA -0.151 4.199 4.350 -0.000 0.000 0.194 1439 E C 1.944 178.528 176.600 -0.027 0.000 0.988 1439 E CA 1.903 58.315 56.400 0.022 0.000 0.811 1439 E CB 0.037 29.748 29.700 0.020 0.000 0.746 1439 E HN 0.664 nan 8.360 nan 0.000 0.466 1440 T N -2.814 111.707 114.554 -0.054 0.000 2.937 1440 T HA 0.002 4.352 4.350 -0.000 0.000 0.260 1440 T C 2.086 176.679 174.700 -0.179 0.000 1.051 1440 T CA 0.782 62.829 62.100 -0.088 0.000 1.141 1440 T CB -0.477 68.350 68.868 -0.070 0.000 0.879 1440 T HN 0.160 nan 8.240 nan 0.000 0.459 1441 G N 1.445 110.072 108.800 -0.289 0.000 2.442 1441 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.219 1441 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.219 1441 G C 1.777 176.322 174.900 -0.592 0.000 1.141 1441 G CA 0.806 45.506 45.100 -0.668 0.000 0.763 1441 G HN 0.569 nan 8.290 nan 0.000 0.554 1442 R N 0.718 121.065 120.500 -0.254 0.000 2.090 1442 R HA -0.059 4.281 4.340 -0.000 0.000 0.228 1442 R C 2.912 179.183 176.300 -0.049 0.000 1.110 1442 R CA 1.626 57.693 56.100 -0.054 0.000 0.973 1442 R CB -0.226 30.119 30.300 0.075 0.000 0.869 1442 R HN 0.465 nan 8.270 nan 0.000 0.440 1443 S N -0.536 115.124 115.700 -0.067 0.000 2.419 1443 S HA -0.079 4.391 4.470 -0.000 0.000 0.233 1443 S C 1.920 176.490 174.600 -0.051 0.000 1.016 1443 S CA 1.183 59.355 58.200 -0.046 0.000 0.974 1443 S CB -0.247 62.925 63.200 -0.048 0.000 0.786 1443 S HN 0.144 nan 8.310 nan 0.000 0.492 1444 V N 1.519 121.387 119.914 -0.077 0.000 2.548 1444 V HA -0.076 4.044 4.120 -0.000 0.000 0.249 1444 V C 2.573 178.717 176.094 0.083 0.000 1.055 1444 V CA 1.392 63.675 62.300 -0.027 0.000 1.065 1444 V CB -0.547 31.232 31.823 -0.073 0.000 0.681 1444 V HN 0.481 nan 8.190 nan 0.000 0.462 1445 V N -0.739 119.211 119.914 0.060 0.000 2.453 1445 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 1445 V C 2.464 178.647 176.094 0.148 0.000 1.048 1445 V CA 1.375 63.773 62.300 0.163 0.000 1.049 1445 V CB -0.590 31.327 31.823 0.157 0.000 0.672 1445 V HN 0.496 nan 8.190 nan 0.000 0.457 1446 Q N 0.262 120.103 119.800 0.069 0.000 2.224 1446 Q HA -0.192 4.147 4.340 -0.000 0.000 0.203 1446 Q C 2.264 178.263 176.000 -0.002 0.000 0.970 1446 Q CA 1.201 57.032 55.803 0.046 0.000 0.865 1446 Q CB -0.301 28.451 28.738 0.023 0.000 0.922 1446 Q HN 0.658 nan 8.270 nan 0.000 0.445 1447 K N 0.137 120.492 120.400 -0.075 0.000 2.113 1447 K HA -0.196 4.124 4.320 -0.000 0.000 0.208 1447 K C 1.093 177.479 176.600 -0.356 0.000 1.047 1447 K CA 1.480 57.606 56.287 -0.268 0.000 0.928 1447 K CB -0.009 32.228 32.500 -0.438 0.000 0.716 1447 K HN 0.186 nan 8.250 nan 0.000 0.446 1448 Y N -0.357 119.961 120.300 0.031 0.000 2.458 1448 Y HA 0.151 4.701 4.550 -0.000 0.000 0.254 1448 Y C 1.614 177.541 175.900 0.045 0.000 1.120 1448 Y CA -0.080 58.041 58.100 0.035 0.000 1.282 1448 Y CB 0.354 38.836 38.460 0.036 0.000 1.109 1448 Y HN -0.047 nan 8.280 nan 0.000 0.526 1449 L N -0.323 121.004 121.223 0.174 0.000 2.209 1449 L HA -0.104 4.236 4.340 -0.000 0.000 0.207 1449 L C 1.552 178.502 176.870 0.134 0.000 1.094 1449 L CA 0.638 55.580 54.840 0.170 0.000 0.790 1449 L CB -0.151 41.998 42.059 0.151 0.000 0.932 1449 L HN 0.207 nan 8.230 nan 0.000 0.447 1450 N N -0.040 118.705 118.700 0.075 0.000 2.270 1450 N HA -0.197 4.543 4.740 -0.000 0.000 0.181 1450 N C 1.423 176.950 175.510 0.030 0.000 1.016 1450 N CA 1.267 54.342 53.050 0.043 0.000 0.870 1450 N CB -0.302 38.192 38.487 0.012 0.000 0.979 1450 N HN 0.289 nan 8.380 nan 0.000 0.431 1451 D N 0.111 120.528 120.400 0.028 0.000 2.178 1451 D HA -0.092 4.548 4.640 -0.000 0.000 0.201 1451 D C 0.799 177.129 176.300 0.050 0.000 0.980 1451 D CA 0.544 54.567 54.000 0.038 0.000 0.842 1451 D CB 0.092 40.925 40.800 0.054 0.000 0.948 1451 D HN 0.244 nan 8.370 nan 0.000 0.472 1452 C N 0.000 119.339 119.300 0.065 0.000 2.653 1452 C HA 0.000 4.460 4.460 -0.000 0.000 0.325 1452 C CA 0.000 59.038 59.018 0.033 0.000 1.963 1452 C CB 0.000 27.781 27.740 0.069 0.000 2.134 1452 C HN 0.000 nan 8.230 nan 0.000 0.568