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 2xe5_1_C DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.711 177.584 0.212 0.000 1.274 1 A CA 0.000 52.184 52.037 0.245 0.000 0.836 1 A CB 0.000 19.183 19.000 0.305 0.000 0.831 2 E N 1.947 122.236 120.200 0.149 0.000 2.166 2 E HA 0.360 4.913 4.350 0.338 0.000 0.279 2 E C 0.642 177.321 176.600 0.132 0.000 1.095 2 E CA 0.037 56.517 56.400 0.135 0.000 0.888 2 E CB 0.119 29.872 29.700 0.089 0.000 1.041 2 E HN 0.656 nan 8.360 nan 0.000 0.414 3 I N 2.333 123.001 120.570 0.162 0.000 4.018 3 I HA 0.328 4.701 4.170 0.338 0.000 0.337 3 I C -0.652 175.591 176.117 0.210 0.000 1.327 3 I CA -0.456 60.937 61.300 0.155 0.000 1.100 3 I CB 0.375 38.462 38.000 0.146 0.000 1.025 3 I HN 0.337 nan 8.210 nan 0.000 0.396 4 Y N 1.716 122.041 120.300 0.041 0.000 2.390 4 Y HA 0.551 5.305 4.550 0.341 0.000 0.324 4 Y C -1.841 174.077 175.900 0.030 0.000 1.151 4 Y CA -1.134 56.981 58.100 0.026 0.000 1.053 4 Y CB 1.317 39.784 38.460 0.011 0.000 1.277 4 Y HN 0.108 nan 8.280 nan 0.000 0.432 5 N N 5.564 123.992 118.700 -0.453 0.000 2.655 5 N HA 0.323 5.266 4.740 0.338 0.000 0.277 5 N C -2.156 173.090 175.510 -0.440 0.000 1.177 5 N CA -0.411 52.455 53.050 -0.308 0.000 0.882 5 N CB 1.453 39.870 38.487 -0.117 0.000 1.481 5 N HN 0.784 nan 8.380 nan 0.000 0.547 6 K N 2.141 122.277 120.400 -0.440 0.000 2.583 6 K HA 0.222 4.745 4.320 0.338 0.000 0.260 6 K C -1.268 175.267 176.600 -0.109 0.000 0.931 6 K CA -0.363 55.722 56.287 -0.336 0.000 0.849 6 K CB 0.763 32.920 32.500 -0.571 0.000 1.347 6 K HN 0.316 nan 8.250 nan 0.000 0.425 7 D N 2.962 123.333 120.400 -0.049 0.000 2.692 7 D HA -0.210 4.633 4.640 0.338 0.000 0.233 7 D C 0.682 177.004 176.300 0.036 0.000 1.172 7 D CA 2.253 56.257 54.000 0.008 0.000 0.636 7 D CB -1.065 39.755 40.800 0.034 0.000 1.028 7 D HN 1.064 nan 8.370 nan 0.000 0.419 8 G N -0.618 108.198 108.800 0.027 0.000 2.176 8 G HA2 -0.361 3.802 3.960 0.338 0.000 0.253 8 G HA3 -0.361 3.802 3.960 0.338 0.000 0.253 8 G C 0.193 175.139 174.900 0.077 0.000 0.979 8 G CA 0.354 45.483 45.100 0.048 0.000 0.641 8 G HN 0.644 nan 8.290 nan 0.000 0.530 9 N N 0.379 119.142 118.700 0.105 0.000 2.269 9 N HA 0.643 5.587 4.740 0.338 0.000 0.304 9 N C -0.425 175.192 175.510 0.179 0.000 1.072 9 N CA -0.474 52.674 53.050 0.164 0.000 0.802 9 N CB 1.060 39.684 38.487 0.227 0.000 1.348 9 N HN 0.579 nan 8.380 nan 0.000 0.484 10 K N 1.434 121.941 120.400 0.178 0.000 2.435 10 K HA 0.716 5.239 4.320 0.338 0.000 0.251 10 K C -1.823 174.905 176.600 0.212 0.000 0.954 10 K CA -0.958 55.440 56.287 0.186 0.000 0.820 10 K CB 1.947 34.507 32.500 0.099 0.000 1.292 10 K HN 0.334 nan 8.250 nan 0.000 0.436 11 L N 1.656 123.018 121.223 0.232 0.000 2.470 11 L HA 0.396 4.939 4.340 0.338 0.000 0.268 11 L C -1.911 175.085 176.870 0.210 0.000 0.964 11 L CA -0.182 54.779 54.840 0.200 0.000 0.839 11 L CB 1.958 44.097 42.059 0.132 0.000 1.276 11 L HN 0.848 nan 8.230 nan 0.000 0.403 12 D N 4.462 125.008 120.400 0.243 0.000 2.349 12 D HA 0.298 5.141 4.640 0.338 0.000 0.232 12 D C -1.281 175.231 176.300 0.354 0.000 1.071 12 D CA -0.260 53.901 54.000 0.268 0.000 0.832 12 D CB 1.425 42.365 40.800 0.233 0.000 1.086 12 D HN 0.493 nan 8.370 nan 0.000 0.504 13 L N 6.625 128.040 121.223 0.321 0.000 2.257 13 L HA 0.407 4.950 4.340 0.338 0.000 0.290 13 L C -1.340 175.749 176.870 0.365 0.000 1.044 13 L CA -0.426 54.609 54.840 0.325 0.000 0.810 13 L CB 0.175 42.416 42.059 0.304 0.000 1.193 13 L HN 0.335 nan 8.230 nan 0.000 0.425 14 Y N 2.989 123.335 120.300 0.077 0.000 2.602 14 Y HA 1.023 5.784 4.550 0.351 0.000 0.342 14 Y C -0.059 175.460 175.900 -0.635 0.000 1.029 14 Y CA -0.755 57.139 58.100 -0.343 0.000 1.080 14 Y CB 1.679 40.009 38.460 -0.217 0.000 1.284 14 Y HN 0.798 nan 8.280 nan 0.000 0.485 15 G N 1.023 109.215 108.800 -1.013 0.000 2.338 15 G HA2 0.506 4.669 3.960 0.338 0.000 0.295 15 G HA3 0.506 4.669 3.960 0.338 0.000 0.295 15 G C -2.345 172.237 174.900 -0.530 0.000 1.461 15 G CA -1.068 43.599 45.100 -0.722 0.000 0.817 15 G HN 1.054 nan 8.290 nan 0.000 0.556 16 K N -1.463 118.851 120.400 -0.143 0.000 2.556 16 K HA 0.766 5.289 4.320 0.338 0.000 0.274 16 K C -1.662 174.945 176.600 0.011 0.000 0.966 16 K CA -1.025 55.242 56.287 -0.033 0.000 0.865 16 K CB 2.287 34.741 32.500 -0.075 0.000 1.444 16 K HN 0.588 nan 8.250 nan 0.000 0.433 17 V N 0.919 120.867 119.914 0.057 0.000 2.409 17 V HA 0.359 4.682 4.120 0.338 0.000 0.291 17 V C -0.870 175.156 176.094 -0.113 0.000 1.020 17 V CA -0.597 61.683 62.300 -0.033 0.000 0.848 17 V CB 1.223 33.081 31.823 0.059 0.000 0.990 17 V HN 0.909 nan 8.190 nan 0.000 0.430 18 E N 3.257 123.262 120.200 -0.326 0.000 2.101 18 E HA 0.543 5.096 4.350 0.338 0.000 0.260 18 E C 0.363 176.831 176.600 -0.220 0.000 0.897 18 E CA -0.423 55.784 56.400 -0.321 0.000 0.744 18 E CB 1.187 30.513 29.700 -0.623 0.000 1.140 18 E HN 0.891 nan 8.360 nan 0.000 0.419 19 G N 4.225 112.959 108.800 -0.109 0.000 2.372 19 G HA2 0.379 4.543 3.960 0.338 0.000 0.286 19 G HA3 0.379 4.543 3.960 0.338 0.000 0.286 19 G C -0.964 173.902 174.900 -0.058 0.000 1.153 19 G CA -0.165 44.896 45.100 -0.064 0.000 0.985 19 G HN 0.389 nan 8.290 nan 0.000 0.429 20 L N 2.506 123.722 121.223 -0.013 0.000 2.436 20 L HA 0.654 5.197 4.340 0.338 0.000 0.268 20 L C -1.153 175.760 176.870 0.073 0.000 0.974 20 L CA -1.114 53.749 54.840 0.038 0.000 0.826 20 L CB 2.261 44.382 42.059 0.102 0.000 1.291 20 L HN 0.628 nan 8.230 nan 0.000 0.406 21 H N 3.173 122.239 119.070 -0.007 0.000 2.667 21 H HA 0.609 5.368 4.556 0.338 0.000 0.353 21 H C -1.644 173.671 175.328 -0.021 0.000 1.072 21 H CA -0.312 55.667 56.048 -0.114 0.000 1.214 21 H CB 1.216 30.814 29.762 -0.274 0.000 1.600 21 H HN 0.494 nan 8.280 nan 0.000 0.527 22 Y N 4.137 124.079 120.300 -0.597 0.000 2.342 22 Y HA 0.320 5.075 4.550 0.342 0.000 0.334 22 Y C -0.853 174.767 175.900 -0.466 0.000 1.067 22 Y CA -1.027 56.891 58.100 -0.302 0.000 1.128 22 Y CB 0.637 39.010 38.460 -0.146 0.000 1.200 22 Y HN 0.511 nan 8.280 nan 0.000 0.464 23 F N 1.492 121.564 119.950 0.204 0.000 2.449 23 F HA 0.588 5.319 4.527 0.341 0.000 0.342 23 F C 0.200 176.054 175.800 0.090 0.000 1.127 23 F CA -0.492 57.601 58.000 0.155 0.000 0.975 23 F CB 2.023 41.104 39.000 0.135 0.000 1.146 23 F HN 0.295 nan 8.300 nan 0.000 0.444 24 S N 1.286 117.126 115.700 0.233 0.000 2.547 24 S HA 0.266 4.939 4.470 0.338 0.000 0.270 24 S C -0.126 174.538 174.600 0.107 0.000 1.150 24 S CA -0.727 57.556 58.200 0.138 0.000 0.850 24 S CB 1.273 64.530 63.200 0.094 0.000 1.118 24 S HN 0.597 nan 8.310 nan 0.000 0.461 25 D N 1.495 121.940 120.400 0.076 0.000 2.269 25 D HA -0.012 4.831 4.640 0.338 0.000 0.208 25 D C 0.452 176.776 176.300 0.040 0.000 0.963 25 D CA 0.710 54.744 54.000 0.056 0.000 0.864 25 D CB -0.155 40.671 40.800 0.044 0.000 0.936 25 D HN 0.453 nan 8.370 nan 0.000 0.505 26 N N 1.915 120.635 118.700 0.033 0.000 2.405 26 N HA -0.055 4.888 4.740 0.338 0.000 0.260 26 N C 0.337 175.863 175.510 0.027 0.000 1.152 26 N CA 0.061 53.123 53.050 0.019 0.000 0.948 26 N CB 0.870 39.359 38.487 0.003 0.000 1.111 26 N HN -0.153 nan 8.380 nan 0.000 0.485 27 D N 1.221 121.632 120.400 0.019 0.000 2.218 27 D HA -0.148 4.695 4.640 0.338 0.000 0.204 27 D C 1.398 177.701 176.300 0.005 0.000 0.976 27 D CA 1.123 55.134 54.000 0.017 0.000 0.853 27 D CB 0.009 40.816 40.800 0.011 0.000 0.939 27 D HN 0.686 nan 8.370 nan 0.000 0.481 28 S N -0.352 115.348 115.700 -0.001 0.000 2.561 28 S HA 0.008 4.681 4.470 0.338 0.000 0.225 28 S C 1.365 175.966 174.600 0.002 0.000 0.977 28 S CA 0.378 58.571 58.200 -0.012 0.000 0.926 28 S CB 0.178 63.365 63.200 -0.022 0.000 0.769 28 S HN 0.003 nan 8.310 nan 0.000 0.533 29 K N 0.869 121.292 120.400 0.038 0.000 2.413 29 K HA 0.319 4.842 4.320 0.338 0.000 0.204 29 K C -0.863 175.828 176.600 0.151 0.000 1.041 29 K CA 0.015 56.376 56.287 0.123 0.000 1.082 29 K CB 0.392 32.973 32.500 0.135 0.000 0.871 29 K HN 0.431 nan 8.250 nan 0.000 0.535 30 D N 0.140 120.565 120.400 0.041 0.000 2.308 30 D HA 0.523 5.366 4.640 0.338 0.000 0.242 30 D C 0.252 176.469 176.300 -0.138 0.000 1.059 30 D CA 0.237 54.234 54.000 -0.004 0.000 0.830 30 D CB 1.101 41.925 40.800 0.039 0.000 1.161 30 D HN 0.257 nan 8.370 nan 0.000 0.494 31 G N 3.117 111.680 108.800 -0.396 0.000 2.318 31 G HA2 -0.025 4.138 3.960 0.338 0.000 0.367 31 G HA3 -0.025 4.138 3.960 0.338 0.000 0.367 31 G C -1.046 173.383 174.900 -0.785 0.000 1.260 31 G CA -0.714 44.034 45.100 -0.587 0.000 1.055 31 G HN 0.600 nan 8.290 nan 0.000 0.484 32 D N 0.411 120.581 120.400 -0.384 0.000 2.417 32 D HA 0.474 5.317 4.640 0.338 0.000 0.250 32 D C 0.829 176.995 176.300 -0.224 0.000 1.166 32 D CA 0.197 54.077 54.000 -0.200 0.000 0.881 32 D CB 0.709 41.488 40.800 -0.034 0.000 1.164 32 D HN 0.357 nan 8.370 nan 0.000 0.467 33 K N 2.408 122.685 120.400 -0.204 0.000 2.536 33 K HA 0.123 4.646 4.320 0.338 0.000 0.203 33 K C -0.205 176.403 176.600 0.012 0.000 1.063 33 K CA -0.299 55.870 56.287 -0.196 0.000 1.063 33 K CB 0.427 32.642 32.500 -0.476 0.000 0.843 33 K HN 0.404 nan 8.250 nan 0.000 0.521 34 T N 2.513 117.074 114.554 0.012 0.000 2.933 34 T HA 0.041 4.594 4.350 0.338 0.000 0.306 34 T C -0.068 174.697 174.700 0.109 0.000 1.045 34 T CA 0.801 62.916 62.100 0.026 0.000 1.143 34 T CB -0.139 68.724 68.868 -0.007 0.000 1.003 34 T HN 0.280 nan 8.240 nan 0.000 0.540 35 Y N 0.462 120.734 120.300 -0.047 0.000 2.670 35 Y HA 0.757 5.505 4.550 0.330 0.000 0.334 35 Y C -1.172 174.694 175.900 -0.057 0.000 1.185 35 Y CA -1.758 56.296 58.100 -0.076 0.000 1.053 35 Y CB 1.493 39.889 38.460 -0.107 0.000 1.298 35 Y HN 0.461 nan 8.280 nan 0.000 0.459 36 M N 2.721 122.351 119.600 0.049 0.000 2.464 36 M HA 0.589 5.272 4.480 0.338 0.000 0.308 36 M C -1.833 174.498 176.300 0.052 0.000 1.127 36 M CA -0.518 54.771 55.300 -0.018 0.000 0.913 36 M CB 2.458 35.059 32.600 0.001 0.000 1.689 36 M HN 1.065 nan 8.290 nan 0.000 0.445 37 R N 2.574 123.082 120.500 0.013 0.000 2.750 37 R HA 0.833 5.376 4.340 0.338 0.000 0.281 37 R C -1.842 174.397 176.300 -0.102 0.000 0.972 37 R CA -0.785 55.291 56.100 -0.039 0.000 0.912 37 R CB 2.546 32.865 30.300 0.032 0.000 1.187 37 R HN 0.612 nan 8.270 nan 0.000 0.464 38 L N 0.838 121.937 121.223 -0.207 0.000 2.513 38 L HA 0.798 5.341 4.340 0.338 0.000 0.261 38 L C -1.243 175.282 176.870 -0.575 0.000 0.945 38 L CA 0.005 54.684 54.840 -0.269 0.000 0.848 38 L CB 2.341 44.378 42.059 -0.037 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.515 110.788 108.800 -0.878 0.000 2.645 39 G HA2 0.658 4.821 3.960 0.338 0.000 0.292 39 G HA3 0.658 4.821 3.960 0.338 0.000 0.292 39 G C -1.941 172.636 174.900 -0.538 0.000 1.415 39 G CA -0.376 44.149 45.100 -0.958 0.000 0.785 39 G HN 0.881 nan 8.290 nan 0.000 0.483 40 F N -0.868 119.028 119.950 -0.091 0.000 2.576 40 F HA 0.893 5.617 4.527 0.329 0.000 0.313 40 F C -0.723 175.227 175.800 0.251 0.000 1.078 40 F CA -1.268 56.810 58.000 0.130 0.000 0.921 40 F CB 2.585 41.680 39.000 0.159 0.000 1.232 40 F HN 0.493 nan 8.300 nan 0.000 0.459 41 K N 2.563 123.310 120.400 0.579 0.000 2.507 41 K HA 0.649 5.173 4.320 0.338 0.000 0.252 41 K C -1.141 175.681 176.600 0.370 0.000 0.943 41 K CA -0.786 55.742 56.287 0.402 0.000 0.808 41 K CB 1.895 34.563 32.500 0.281 0.000 1.142 41 K HN 1.111 nan 8.250 nan 0.000 0.426 42 G N 2.654 111.669 108.800 0.358 0.000 2.566 42 G HA2 0.409 4.572 3.960 0.338 0.000 0.311 42 G HA3 0.409 4.572 3.960 0.338 0.000 0.311 42 G C -1.601 173.452 174.900 0.254 0.000 1.322 42 G CA -0.377 44.888 45.100 0.274 0.000 0.969 42 G HN 0.587 nan 8.290 nan 0.000 0.490 43 E N 0.545 120.868 120.200 0.205 0.000 2.263 43 E HA 0.533 5.086 4.350 0.338 0.000 0.268 43 E C -1.383 175.315 176.600 0.162 0.000 0.884 43 E CA -0.626 55.894 56.400 0.199 0.000 0.766 43 E CB 2.240 32.028 29.700 0.148 0.000 1.196 43 E HN 0.393 nan 8.360 nan 0.000 0.416 44 T N 3.326 117.979 114.554 0.164 0.000 2.824 44 T HA 0.234 4.787 4.350 0.338 0.000 0.282 44 T C -0.944 173.829 174.700 0.121 0.000 0.993 44 T CA -0.656 61.522 62.100 0.130 0.000 0.967 44 T CB 1.266 70.203 68.868 0.116 0.000 0.960 44 T HN 0.396 nan 8.240 nan 0.000 0.441 45 Q N 4.144 124.001 119.800 0.095 0.000 2.307 45 Q HA 0.231 4.774 4.340 0.338 0.000 0.259 45 Q C 0.937 176.987 176.000 0.085 0.000 0.998 45 Q CA -0.117 55.737 55.803 0.084 0.000 0.923 45 Q CB 1.700 30.474 28.738 0.060 0.000 1.196 45 Q HN 0.606 nan 8.270 nan 0.000 0.416 46 V N 2.136 122.109 119.914 0.099 0.000 2.341 46 V HA -0.042 4.281 4.120 0.338 0.000 0.240 46 V C 1.228 177.376 176.094 0.090 0.000 1.035 46 V CA 1.875 64.233 62.300 0.096 0.000 1.033 46 V CB 0.052 31.943 31.823 0.114 0.000 0.678 46 V HN 0.853 nan 8.190 nan 0.000 0.464 47 T N -3.589 111.028 114.554 0.105 0.000 2.773 47 T HA 0.269 4.822 4.350 0.338 0.000 0.278 47 T C 0.368 175.107 174.700 0.065 0.000 1.011 47 T CA -0.315 61.841 62.100 0.093 0.000 1.014 47 T CB 1.560 70.508 68.868 0.134 0.000 1.293 47 T HN 0.109 nan 8.240 nan 0.000 0.554 48 D N 0.078 120.504 120.400 0.043 0.000 2.263 48 D HA -0.052 4.791 4.640 0.338 0.000 0.208 48 D C 1.675 177.946 176.300 -0.048 0.000 0.971 48 D CA 1.255 55.257 54.000 0.004 0.000 0.867 48 D CB 0.156 40.957 40.800 0.001 0.000 0.929 48 D HN 0.612 nan 8.370 nan 0.000 0.492 49 Q N -0.751 119.000 119.800 -0.082 0.000 2.316 49 Q HA 0.158 4.701 4.340 0.338 0.000 0.235 49 Q C 0.040 175.886 176.000 -0.255 0.000 0.863 49 Q CA -0.197 55.405 55.803 -0.334 0.000 0.939 49 Q CB 1.150 29.452 28.738 -0.727 0.000 1.108 49 Q HN 0.041 nan 8.270 nan 0.000 0.522 50 L N 1.945 123.211 121.223 0.072 0.000 2.298 50 L HA 0.370 4.913 4.340 0.338 0.000 0.284 50 L C -0.494 176.479 176.870 0.172 0.000 1.013 50 L CA -0.154 54.837 54.840 0.251 0.000 0.824 50 L CB 1.489 43.781 42.059 0.387 0.000 1.221 50 L HN -0.015 nan 8.230 nan 0.000 0.418 51 T N 1.439 116.103 114.554 0.185 0.000 2.888 51 T HA 0.869 5.422 4.350 0.338 0.000 0.284 51 T C 0.105 174.960 174.700 0.258 0.000 1.017 51 T CA -0.447 61.769 62.100 0.194 0.000 1.022 51 T CB 1.630 70.602 68.868 0.173 0.000 1.013 51 T HN 0.793 nan 8.240 nan 0.000 0.465 52 G N 1.375 110.309 108.800 0.223 0.000 2.400 52 G HA2 0.680 4.843 3.960 0.338 0.000 0.333 52 G HA3 0.680 4.843 3.960 0.338 0.000 0.333 52 G C -1.429 173.639 174.900 0.280 0.000 1.143 52 G CA -1.096 44.116 45.100 0.187 0.000 0.914 52 G HN 0.997 nan 8.290 nan 0.000 0.480 53 Y N -1.274 119.115 120.300 0.149 0.000 2.638 53 Y HA 0.817 5.569 4.550 0.336 0.000 0.335 53 Y C -0.121 175.878 175.900 0.164 0.000 1.155 53 Y CA -1.375 56.818 58.100 0.156 0.000 1.046 53 Y CB 1.366 39.926 38.460 0.167 0.000 1.303 53 Y HN 0.951 nan 8.280 nan 0.000 0.460 54 G N 0.844 109.831 108.800 0.311 0.000 2.718 54 G HA2 0.538 4.701 3.960 0.338 0.000 0.295 54 G HA3 0.538 4.701 3.960 0.338 0.000 0.295 54 G C -2.484 172.459 174.900 0.072 0.000 1.421 54 G CA -0.968 44.223 45.100 0.153 0.000 0.902 54 G HN 0.888 nan 8.290 nan 0.000 0.501 55 Q N -0.284 119.294 119.800 -0.370 0.000 2.353 55 Q HA 0.564 5.107 4.340 0.338 0.000 0.275 55 Q C -2.372 173.260 176.000 -0.613 0.000 1.029 55 Q CA -0.933 54.564 55.803 -0.510 0.000 0.848 55 Q CB 2.849 31.254 28.738 -0.555 0.000 1.390 55 Q HN 0.668 nan 8.270 nan 0.000 0.401 56 W N 3.227 124.013 121.300 -0.856 0.000 3.097 56 W HA 0.565 5.379 4.660 0.257 0.000 0.335 56 W C -1.887 174.354 176.519 -0.463 0.000 1.114 56 W CA -0.241 56.673 57.345 -0.719 0.000 1.231 56 W CB 1.602 30.404 29.460 -1.095 0.000 1.388 56 W HN 0.716 nan 8.180 nan 0.000 0.485 57 E N 4.671 124.256 120.200 -1.025 0.000 2.308 57 E HA 0.375 4.928 4.350 0.338 0.000 0.275 57 E C -2.338 173.717 176.600 -0.908 0.000 0.890 57 E CA -0.777 55.099 56.400 -0.874 0.000 0.754 57 E CB 2.186 31.722 29.700 -0.272 0.000 1.207 57 E HN 0.410 nan 8.360 nan 0.000 0.426 58 Y N 2.008 121.688 120.300 -1.033 0.000 2.477 58 Y HA 0.338 4.929 4.550 0.069 0.000 0.347 58 Y C -1.212 174.364 175.900 -0.540 0.000 0.981 58 Y CA -0.595 57.042 58.100 -0.773 0.000 1.033 58 Y CB 2.184 40.141 38.460 -0.839 0.000 1.245 58 Y HN 0.586 nan 8.280 nan 0.000 0.455 59 Q N 5.013 124.264 119.800 -0.916 0.000 2.337 59 Q HA 0.749 5.292 4.340 0.338 0.000 0.266 59 Q C -1.886 173.437 176.000 -1.127 0.000 1.023 59 Q CA -0.647 54.594 55.803 -0.937 0.000 0.829 59 Q CB 1.442 29.508 28.738 -1.120 0.000 1.306 59 Q HN 0.732 nan 8.270 nan 0.000 0.449 60 I N 3.491 123.685 120.570 -0.627 0.000 2.468 60 I HA 0.226 4.599 4.170 0.338 0.000 0.285 60 I C -0.567 175.398 176.117 -0.253 0.000 1.039 60 I CA -1.074 59.967 61.300 -0.433 0.000 1.074 60 I CB 1.861 39.755 38.000 -0.175 0.000 1.228 60 I HN 0.515 nan 8.210 nan 0.000 0.436 61 Q N 3.627 123.275 119.800 -0.255 0.000 2.364 61 Q HA 0.211 4.754 4.340 0.338 0.000 0.267 61 Q C 0.871 176.856 176.000 -0.025 0.000 0.999 61 Q CA 0.196 55.946 55.803 -0.089 0.000 0.886 61 Q CB 1.447 30.162 28.738 -0.039 0.000 1.243 61 Q HN 0.925 nan 8.270 nan 0.000 0.415 62 G N 1.755 110.566 108.800 0.018 0.000 3.651 62 G HA2 -0.038 4.125 3.960 0.338 0.000 0.279 62 G HA3 -0.038 4.125 3.960 0.338 0.000 0.279 62 G C 0.389 175.291 174.900 0.004 0.000 1.024 62 G CA -0.268 44.837 45.100 0.007 0.000 0.813 62 G HN 0.599 nan 8.290 nan 0.000 0.518 63 N N 0.012 118.713 118.700 0.002 0.000 2.204 63 N HA 0.122 5.065 4.740 0.338 0.000 0.219 63 N C -0.125 175.378 175.510 -0.012 0.000 1.151 63 N CA -0.251 52.792 53.050 -0.011 0.000 0.867 63 N CB 0.616 39.084 38.487 -0.032 0.000 1.043 63 N HN 0.298 nan 8.380 nan 0.000 0.516 64 E N 1.014 121.212 120.200 -0.004 0.000 2.235 64 E HA 0.461 5.014 4.350 0.338 0.000 0.265 64 E C -2.260 174.341 176.600 0.002 0.000 0.940 64 E CA -1.921 54.478 56.400 -0.001 0.000 0.819 64 E CB 1.508 31.211 29.700 0.006 0.000 1.206 64 E HN 0.172 nan 8.360 nan 0.000 0.409 65 P HA 0.085 nan 4.420 nan 0.000 0.274 65 P C -0.252 177.052 177.300 0.008 0.000 1.256 65 P CA -0.077 63.026 63.100 0.004 0.000 0.795 65 P CB 0.769 32.472 31.700 0.004 0.000 1.038 66 E N -0.380 119.825 120.200 0.008 0.000 2.427 66 E HA -0.087 4.466 4.350 0.338 0.000 0.196 66 E C 1.629 178.236 176.600 0.013 0.000 1.028 66 E CA 0.870 57.276 56.400 0.010 0.000 0.864 66 E CB -0.018 29.687 29.700 0.008 0.000 0.813 66 E HN 0.492 nan 8.360 nan 0.000 0.514 67 S N 0.223 115.930 115.700 0.011 0.000 2.496 67 S HA -0.080 4.593 4.470 0.338 0.000 0.224 67 S C 0.631 175.241 174.600 0.016 0.000 0.996 67 S CA 0.451 58.659 58.200 0.013 0.000 0.927 67 S CB 0.357 63.563 63.200 0.010 0.000 0.774 67 S HN 0.044 nan 8.310 nan 0.000 0.524 68 D N 0.691 121.101 120.400 0.017 0.000 2.752 68 D HA 0.222 5.065 4.640 0.338 0.000 0.242 68 D C -1.463 174.851 176.300 0.024 0.000 1.295 68 D CA -0.227 53.786 54.000 0.021 0.000 0.846 68 D CB -0.086 40.724 40.800 0.016 0.000 1.454 68 D HN 0.403 nan 8.370 nan 0.000 0.535 69 N N 1.155 119.872 118.700 0.028 0.000 2.372 69 N HA 0.475 5.418 4.740 0.338 0.000 0.291 69 N C -0.721 174.813 175.510 0.040 0.000 1.024 69 N CA -0.456 52.611 53.050 0.028 0.000 0.873 69 N CB 0.972 39.471 38.487 0.020 0.000 1.206 69 N HN 0.225 nan 8.380 nan 0.000 0.486 70 S N 1.630 117.357 115.700 0.046 0.000 2.509 70 S HA 0.715 5.388 4.470 0.338 0.000 0.297 70 S C -0.439 174.161 174.600 -0.000 0.000 1.118 70 S CA -0.619 57.634 58.200 0.089 0.000 1.074 70 S CB 1.553 64.854 63.200 0.168 0.000 1.038 70 S HN 0.629 nan 8.310 nan 0.000 0.498 71 S N 0.540 116.238 115.700 -0.003 0.000 2.638 71 S HA 0.911 5.584 4.470 0.338 0.000 0.274 71 S C -1.568 172.929 174.600 -0.172 0.000 1.157 71 S CA -1.048 56.918 58.200 -0.390 0.000 0.826 71 S CB 0.723 63.670 63.200 -0.422 0.000 1.139 71 S HN 1.590 nan 8.310 nan 0.000 0.474 72 W N -1.214 119.682 121.300 -0.673 0.000 3.298 72 W HA 0.636 5.507 4.660 0.351 0.000 0.302 72 W C -1.684 174.596 176.519 -0.398 0.000 1.255 72 W CA -0.831 56.289 57.345 -0.375 0.000 1.196 72 W CB 0.316 29.653 29.460 -0.205 0.000 1.364 72 W HN 0.571 nan 8.180 nan 0.000 0.566 73 T N 2.935 117.651 114.554 0.271 0.000 2.761 73 T HA 0.257 4.810 4.350 0.338 0.000 0.296 73 T C 0.994 175.793 174.700 0.165 0.000 0.934 73 T CA -0.337 61.922 62.100 0.265 0.000 1.091 73 T CB 1.135 70.225 68.868 0.369 0.000 0.896 73 T HN 0.513 nan 8.240 nan 0.000 0.515 74 R N 1.882 122.393 120.500 0.019 0.000 2.064 74 R HA 0.197 4.741 4.340 0.338 0.000 0.221 74 R C 0.820 177.095 176.300 -0.041 0.000 1.136 74 R CA 0.542 56.650 56.100 0.013 0.000 0.980 74 R CB 0.199 30.486 30.300 -0.020 0.000 0.876 74 R HN 0.590 nan 8.270 nan 0.000 0.437 75 V N -3.487 116.399 119.914 -0.047 0.000 2.962 75 V HA 0.893 5.216 4.120 0.338 0.000 0.313 75 V C -1.457 174.658 176.094 0.036 0.000 1.099 75 V CA -1.121 61.215 62.300 0.059 0.000 0.971 75 V CB 2.013 33.964 31.823 0.212 0.000 1.028 75 V HN 0.095 nan 8.190 nan 0.000 0.430 76 A N 4.334 127.241 122.820 0.144 0.000 2.562 76 A HA 0.803 5.326 4.320 0.338 0.000 0.297 76 A C -1.124 176.547 177.584 0.146 0.000 1.100 76 A CA -0.294 51.809 52.037 0.111 0.000 0.914 76 A CB 0.379 19.518 19.000 0.233 0.000 1.490 76 A HN 2.171 nan 8.150 nan 0.000 0.391 77 F N -0.103 119.885 119.950 0.063 0.000 2.631 77 F HA 0.939 5.671 4.527 0.342 0.000 0.308 77 F C -0.264 175.565 175.800 0.048 0.000 1.097 77 F CA -0.942 57.074 58.000 0.028 0.000 0.952 77 F CB 1.269 40.272 39.000 0.006 0.000 1.307 77 F HN 0.800 nan 8.300 nan 0.000 0.450 78 A N 1.032 123.994 122.820 0.235 0.000 2.374 78 A HA 1.016 5.539 4.320 0.338 0.000 0.317 78 A C -0.373 177.163 177.584 -0.080 0.000 1.094 78 A CA -0.341 51.734 52.037 0.064 0.000 0.765 78 A CB 1.242 20.283 19.000 0.069 0.000 1.268 78 A HN 1.875 nan 8.150 nan 0.000 0.438 79 G N -0.390 108.101 108.800 -0.515 0.000 2.608 79 G HA2 0.587 4.750 3.960 0.338 0.000 0.291 79 G HA3 0.587 4.750 3.960 0.338 0.000 0.291 79 G C -1.765 172.736 174.900 -0.666 0.000 1.425 79 G CA -0.636 44.044 45.100 -0.701 0.000 0.787 79 G HN 0.759 nan 8.290 nan 0.000 0.484 80 L N -0.056 121.088 121.223 -0.132 0.000 2.370 80 L HA 0.712 5.255 4.340 0.338 0.000 0.266 80 L C -0.310 176.790 176.870 0.383 0.000 1.002 80 L CA -0.896 54.037 54.840 0.156 0.000 0.818 80 L CB 2.663 44.827 42.059 0.176 0.000 1.325 80 L HN 0.518 nan 8.230 nan 0.000 0.418 81 K N 2.148 122.792 120.400 0.407 0.000 2.507 81 K HA 0.486 5.009 4.320 0.338 0.000 0.252 81 K C -1.891 174.889 176.600 0.300 0.000 0.943 81 K CA -0.459 56.031 56.287 0.338 0.000 0.808 81 K CB 1.644 34.307 32.500 0.271 0.000 1.142 81 K HN 0.374 nan 8.250 nan 0.000 0.426 82 F N 2.975 122.997 119.950 0.119 0.000 2.469 82 F HA 0.303 5.033 4.527 0.338 0.000 0.332 82 F C 0.020 175.859 175.800 0.066 0.000 1.103 82 F CA -0.487 57.568 58.000 0.091 0.000 0.979 82 F CB 1.720 40.775 39.000 0.091 0.000 1.137 82 F HN 0.523 nan 8.300 nan 0.000 0.463 83 Q N 3.974 123.451 119.800 -0.539 0.000 2.300 83 Q HA 0.123 4.666 4.340 0.338 0.000 0.280 83 Q C 0.023 175.942 176.000 -0.136 0.000 1.033 83 Q CA 0.901 56.521 55.803 -0.305 0.000 0.903 83 Q CB 0.158 28.684 28.738 -0.355 0.000 1.195 83 Q HN 0.712 nan 8.270 nan 0.000 0.386 84 D N 1.877 122.259 120.400 -0.029 0.000 3.039 84 D HA -0.182 4.661 4.640 0.338 0.000 0.222 84 D C 0.043 176.427 176.300 0.140 0.000 1.179 84 D CA 1.114 55.146 54.000 0.054 0.000 0.880 84 D CB -1.319 39.531 40.800 0.084 0.000 1.115 84 D HN 0.345 nan 8.370 nan 0.000 0.416 85 V N -1.869 118.127 119.914 0.138 0.000 3.251 85 V HA 0.576 4.899 4.120 0.338 0.000 0.239 85 V C 1.281 177.386 176.094 0.019 0.000 1.332 85 V CA 0.949 63.375 62.300 0.210 0.000 1.224 85 V CB 1.170 33.249 31.823 0.427 0.000 1.004 85 V HN 0.594 nan 8.190 nan 0.000 0.464 86 G N 0.701 109.526 108.800 0.042 0.000 2.334 86 G HA2 0.238 4.401 3.960 0.338 0.000 0.315 86 G HA3 0.238 4.401 3.960 0.338 0.000 0.315 86 G C -0.612 174.360 174.900 0.120 0.000 1.284 86 G CA -0.059 45.032 45.100 -0.016 0.000 0.985 86 G HN 0.919 nan 8.290 nan 0.000 0.504 87 S N -1.312 114.460 115.700 0.121 0.000 2.599 87 S HA 0.875 5.548 4.470 0.338 0.000 0.294 87 S C -1.127 173.630 174.600 0.261 0.000 1.094 87 S CA -0.577 57.757 58.200 0.224 0.000 0.931 87 S CB 2.496 65.823 63.200 0.211 0.000 1.093 87 S HN 1.946 nan 8.310 nan 0.000 0.488 88 F N 1.509 121.520 119.950 0.101 0.000 2.569 88 F HA 0.668 5.400 4.527 0.340 0.000 0.312 88 F C -1.891 173.895 175.800 -0.024 0.000 1.109 88 F CA -0.489 57.472 58.000 -0.065 0.000 0.919 88 F CB 1.687 40.600 39.000 -0.143 0.000 1.211 88 F HN 0.920 nan 8.300 nan 0.000 0.446 89 D N 3.429 123.280 120.400 -0.916 0.000 2.661 89 D HA 0.380 5.223 4.640 0.338 0.000 0.228 89 D C -2.074 173.771 176.300 -0.760 0.000 1.183 89 D CA -0.553 53.059 54.000 -0.647 0.000 0.844 89 D CB 1.901 42.584 40.800 -0.195 0.000 1.555 89 D HN 0.474 nan 8.370 nan 0.000 0.453 90 Y N 0.448 120.487 120.300 -0.436 0.000 2.442 90 Y HA 0.700 5.454 4.550 0.340 0.000 0.344 90 Y C 0.131 176.055 175.900 0.040 0.000 0.976 90 Y CA 0.334 58.313 58.100 -0.201 0.000 1.040 90 Y CB 1.906 40.329 38.460 -0.062 0.000 1.228 90 Y HN 0.964 nan 8.280 nan 0.000 0.451 91 G N 4.300 112.655 108.800 -0.742 0.000 2.373 91 G HA2 0.079 4.242 3.960 0.338 0.000 0.250 91 G HA3 0.079 4.242 3.960 0.338 0.000 0.250 91 G C -1.760 172.974 174.900 -0.277 0.000 1.304 91 G CA -1.196 43.632 45.100 -0.453 0.000 0.948 91 G HN 0.738 nan 8.290 nan 0.000 0.474 92 R N 0.775 121.250 120.500 -0.041 0.000 2.298 92 R HA 0.601 5.144 4.340 0.338 0.000 0.310 92 R C -0.327 176.070 176.300 0.162 0.000 1.068 92 R CA -0.198 55.916 56.100 0.024 0.000 0.957 92 R CB 0.499 30.818 30.300 0.031 0.000 1.003 92 R HN 0.648 nan 8.270 nan 0.000 0.454 93 N N 2.189 121.004 118.700 0.193 0.000 3.449 93 N HA 0.165 5.108 4.740 0.338 0.000 0.312 93 N C -1.878 173.598 175.510 -0.057 0.000 1.557 93 N CA -0.639 52.464 53.050 0.088 0.000 0.864 93 N CB 0.563 39.000 38.487 -0.084 0.000 1.799 93 N HN 0.363 nan 8.380 nan 0.000 0.554 94 Y N 0.705 120.896 120.300 -0.180 0.000 2.327 94 Y HA 0.450 5.204 4.550 0.340 0.000 0.336 94 Y C 1.454 176.948 175.900 -0.677 0.000 1.035 94 Y CA -0.128 57.793 58.100 -0.298 0.000 1.165 94 Y CB 0.921 39.274 38.460 -0.179 0.000 1.181 94 Y HN 0.484 nan 8.280 nan 0.000 0.494 95 G N 1.688 110.116 108.800 -0.620 0.000 2.491 95 G HA2 0.107 4.270 3.960 0.338 0.000 0.238 95 G HA3 0.107 4.270 3.960 0.338 0.000 0.238 95 G C 0.944 175.653 174.900 -0.318 0.000 1.277 95 G CA -0.440 44.215 45.100 -0.742 0.000 0.851 95 G HN 0.707 nan 8.290 nan 0.000 0.573 96 V N 2.668 122.400 119.914 -0.304 0.000 2.594 96 V HA -0.176 4.147 4.120 0.338 0.000 0.253 96 V C 2.897 178.914 176.094 -0.129 0.000 1.069 96 V CA 1.936 64.133 62.300 -0.171 0.000 1.082 96 V CB -0.338 31.404 31.823 -0.135 0.000 0.680 96 V HN 0.536 nan 8.190 nan 0.000 0.469 97 V N -0.619 119.220 119.914 -0.124 0.000 2.317 97 V HA -0.334 3.989 4.120 0.338 0.000 0.251 97 V C 2.211 178.208 176.094 -0.162 0.000 1.065 97 V CA 2.708 64.924 62.300 -0.140 0.000 1.049 97 V CB -1.046 30.697 31.823 -0.133 0.000 0.651 97 V HN 0.748 nan 8.190 nan 0.000 0.450 98 Y N 1.347 121.499 120.300 -0.247 0.000 2.483 98 Y HA -0.194 4.561 4.550 0.342 0.000 0.291 98 Y C 2.109 177.865 175.900 -0.239 0.000 1.143 98 Y CA 1.239 59.199 58.100 -0.233 0.000 1.289 98 Y CB -0.394 38.006 38.460 -0.100 0.000 0.983 98 Y HN 0.378 nan 8.280 nan 0.000 0.556 99 D N -1.048 119.222 120.400 -0.216 0.000 2.221 99 D HA -0.153 4.690 4.640 0.338 0.000 0.204 99 D C 2.021 178.000 176.300 -0.535 0.000 0.982 99 D CA 1.460 55.301 54.000 -0.265 0.000 0.857 99 D CB 0.034 40.740 40.800 -0.157 0.000 0.934 99 D HN 0.330 nan 8.370 nan 0.000 0.475 100 V N 0.026 119.551 119.914 -0.648 0.000 2.806 100 V HA -0.077 4.246 4.120 0.338 0.000 0.239 100 V C 2.512 178.116 176.094 -0.816 0.000 1.113 100 V CA 1.333 62.997 62.300 -1.060 0.000 1.137 100 V CB -0.304 31.071 31.823 -0.748 0.000 0.865 100 V HN 0.229 nan 8.190 nan 0.000 0.482 101 T N -0.079 114.171 114.554 -0.506 0.000 2.881 101 T HA -0.195 4.358 4.350 0.338 0.000 0.270 101 T C 1.994 176.499 174.700 -0.325 0.000 1.068 101 T CA 1.723 63.638 62.100 -0.309 0.000 1.131 101 T CB -0.615 68.111 68.868 -0.237 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.242 115.508 115.700 -0.723 0.000 2.419 102 S HA -0.146 4.527 4.470 0.338 0.000 0.235 102 S C 1.653 176.197 174.600 -0.093 0.000 1.019 102 S CA 0.722 58.459 58.200 -0.772 0.000 0.982 102 S CB -1.088 61.404 63.200 -1.180 0.000 0.789 102 S HN 0.678 nan 8.310 nan 0.000 0.490 103 W N 2.937 124.134 121.300 -0.172 0.000 2.364 103 W HA 0.035 4.898 4.660 0.337 0.000 0.281 103 W C 2.544 179.127 176.519 0.108 0.000 1.219 103 W CA 1.363 58.711 57.345 0.006 0.000 1.220 103 W CB -1.614 27.846 29.460 -0.001 0.000 1.127 103 W HN 0.636 nan 8.180 nan 0.000 0.556 104 T N -4.075 110.624 114.554 0.241 0.000 3.040 104 T HA 0.019 4.572 4.350 0.338 0.000 0.250 104 T C 0.554 175.331 174.700 0.128 0.000 1.058 104 T CA 0.126 62.329 62.100 0.172 0.000 0.988 104 T CB 0.026 68.940 68.868 0.076 0.000 0.993 104 T HN -0.211 nan 8.240 nan 0.000 0.519 105 D N 2.673 123.144 120.400 0.120 0.000 2.845 105 D HA 0.171 5.014 4.640 0.338 0.000 0.235 105 D C 0.963 177.307 176.300 0.074 0.000 1.158 105 D CA -0.252 53.827 54.000 0.132 0.000 0.990 105 D CB -0.064 40.875 40.800 0.232 0.000 1.094 105 D HN 0.397 nan 8.370 nan 0.000 0.486 106 V N -0.859 119.076 119.914 0.034 0.000 3.199 106 V HA 0.336 4.659 4.120 0.338 0.000 0.331 106 V C 0.516 176.583 176.094 -0.044 0.000 1.446 106 V CA -0.559 61.710 62.300 -0.052 0.000 1.120 106 V CB -0.692 31.018 31.823 -0.188 0.000 1.051 106 V HN 0.030 nan 8.190 nan 0.000 0.495 107 L N 0.628 121.851 121.223 -0.001 0.000 2.466 107 L HA 0.385 4.928 4.340 0.338 0.000 0.257 107 L C -0.905 175.888 176.870 -0.128 0.000 1.189 107 L CA -1.403 53.429 54.840 -0.013 0.000 0.813 107 L CB 0.400 42.502 42.059 0.071 0.000 1.118 107 L HN 0.032 nan 8.230 nan 0.000 0.471 108 P HA -0.166 nan 4.420 nan 0.000 0.215 108 P C 0.835 177.717 177.300 -0.696 0.000 1.153 108 P CA 1.179 63.928 63.100 -0.585 0.000 0.853 108 P CB 0.400 31.682 31.700 -0.697 0.000 0.788 109 E N -3.132 116.761 120.200 -0.513 0.000 2.684 109 E HA 0.140 4.693 4.350 0.338 0.000 0.204 109 E C 0.631 176.992 176.600 -0.399 0.000 0.900 109 E CA 0.052 56.173 56.400 -0.465 0.000 1.481 109 E CB -0.315 29.048 29.700 -0.561 0.000 1.468 109 E HN -0.112 nan 8.360 nan 0.000 0.778 110 F N 0.947 120.898 119.950 0.002 0.000 2.139 110 F HA 0.640 5.370 4.527 0.339 0.000 0.273 110 F C 1.547 177.391 175.800 0.074 0.000 1.058 110 F CA 0.432 58.441 58.000 0.015 0.000 1.149 110 F CB -0.368 38.596 39.000 -0.061 0.000 1.739 110 F HN 0.182 nan 8.300 nan 0.000 0.536 111 G N -1.124 107.913 108.800 0.394 0.000 2.795 111 G HA2 0.388 4.551 3.960 0.338 0.000 0.664 111 G HA3 0.388 4.551 3.960 0.338 0.000 0.664 111 G C 0.468 175.438 174.900 0.116 0.000 1.381 111 G CA -0.254 44.991 45.100 0.243 0.000 0.853 111 G HN 1.879 nan 8.290 nan 0.000 0.545 112 G N -0.855 107.969 108.800 0.040 0.000 2.179 112 G HA2 0.033 4.196 3.960 0.338 0.000 0.257 112 G HA3 0.033 4.196 3.960 0.338 0.000 0.257 112 G C 0.502 175.107 174.900 -0.491 0.000 1.010 112 G CA 1.374 46.431 45.100 -0.072 0.000 0.736 112 G HN 2.330 nan 8.290 nan 0.000 0.513 113 D N -0.761 119.446 120.400 -0.322 0.000 2.650 113 D HA 0.149 4.992 4.640 0.338 0.000 0.265 113 D C 1.472 177.636 176.300 -0.227 0.000 1.339 113 D CA 0.550 54.368 54.000 -0.303 0.000 0.816 113 D CB -0.680 40.080 40.800 -0.065 0.000 1.091 113 D HN 0.432 nan 8.370 nan 0.000 0.483 114 T N -2.247 112.157 114.554 -0.251 0.000 3.169 114 T HA 0.213 4.766 4.350 0.338 0.000 0.250 114 T C 0.264 175.028 174.700 0.107 0.000 1.111 114 T CA 0.026 62.106 62.100 -0.034 0.000 1.010 114 T CB -0.880 68.015 68.868 0.045 0.000 0.984 114 T HN 0.372 nan 8.240 nan 0.000 0.537 115 Y N -2.212 118.124 120.300 0.060 0.000 2.764 115 Y HA 0.778 5.530 4.550 0.337 0.000 0.331 115 Y C -1.444 174.490 175.900 0.057 0.000 1.280 115 Y CA -1.812 56.335 58.100 0.078 0.000 1.065 115 Y CB 0.662 39.182 38.460 0.100 0.000 1.319 115 Y HN -0.110 nan 8.280 nan 0.000 0.453 116 D N -0.107 120.448 120.400 0.260 0.000 2.531 116 D HA 0.399 5.242 4.640 0.338 0.000 0.244 116 D C -1.050 175.337 176.300 0.145 0.000 1.090 116 D CA -0.738 53.323 54.000 0.102 0.000 0.989 116 D CB 2.344 43.160 40.800 0.027 0.000 1.433 116 D HN 0.563 nan 8.370 nan 0.000 0.492 117 S N 0.393 116.107 115.700 0.023 0.000 2.572 117 S HA 0.029 4.702 4.470 0.338 0.000 0.279 117 S C 0.088 174.665 174.600 -0.039 0.000 1.341 117 S CA -0.097 58.083 58.200 -0.033 0.000 1.043 117 S CB 0.232 63.360 63.200 -0.120 0.000 0.887 117 S HN 0.445 nan 8.310 nan 0.000 0.516 118 D N 1.270 121.642 120.400 -0.046 0.000 2.689 118 D HA -0.194 4.649 4.640 0.338 0.000 0.237 118 D C -0.243 176.007 176.300 -0.083 0.000 1.148 118 D CA 0.643 54.597 54.000 -0.076 0.000 0.656 118 D CB -1.228 39.511 40.800 -0.102 0.000 1.050 118 D HN 0.716 nan 8.370 nan 0.000 0.426 119 N N 0.335 119.023 118.700 -0.019 0.000 2.813 119 N HA 0.238 5.181 4.740 0.338 0.000 0.282 119 N C 0.390 175.974 175.510 0.124 0.000 1.748 119 N CA -0.446 52.621 53.050 0.028 0.000 0.860 119 N CB 0.428 39.027 38.487 0.186 0.000 1.204 119 N HN -0.062 nan 8.380 nan 0.000 0.490 120 F N -0.074 119.949 119.950 0.121 0.000 2.169 120 F HA -0.406 4.326 4.527 0.342 0.000 0.314 120 F C 1.257 177.162 175.800 0.175 0.000 0.318 120 F CA 1.144 59.202 58.000 0.097 0.000 0.904 120 F CB -0.598 38.437 39.000 0.057 0.000 4.078 120 F HN 0.279 nan 8.300 nan 0.000 0.173 121 M N 0.265 120.098 119.600 0.388 0.000 2.549 121 M HA 0.136 4.819 4.480 0.338 0.000 0.273 121 M C 1.026 177.400 176.300 0.122 0.000 1.213 121 M CA 0.298 55.797 55.300 0.331 0.000 0.976 121 M CB 0.159 32.914 32.600 0.257 0.000 1.457 121 M HN 0.435 nan 8.290 nan 0.000 0.485 122 Q N 0.065 119.940 119.800 0.125 0.000 2.212 122 Q HA 0.056 4.599 4.340 0.338 0.000 0.199 122 Q C 1.385 177.325 176.000 -0.099 0.000 0.950 122 Q CA 0.885 56.673 55.803 -0.025 0.000 0.863 122 Q CB 0.644 29.399 28.738 0.027 0.000 0.944 122 Q HN 0.540 nan 8.270 nan 0.000 0.465 123 Q N -0.732 119.075 119.800 0.013 0.000 2.860 123 Q HA 0.282 4.825 4.340 0.338 0.000 0.401 123 Q C -0.830 175.114 176.000 -0.093 0.000 0.669 123 Q CA -0.615 55.155 55.803 -0.056 0.000 0.916 123 Q CB 1.122 29.895 28.738 0.058 0.000 1.310 123 Q HN 0.011 nan 8.270 nan 0.000 0.394 124 R N -0.421 119.922 120.500 -0.261 0.000 2.643 124 R HA 0.494 5.037 4.340 0.338 0.000 0.270 124 R C -0.024 176.278 176.300 0.002 0.000 1.061 124 R CA 0.678 56.591 56.100 -0.311 0.000 1.107 124 R CB 0.519 30.543 30.300 -0.461 0.000 0.999 124 R HN 0.629 nan 8.270 nan 0.000 0.460 125 G N 1.047 109.925 108.800 0.130 0.000 2.547 125 G HA2 0.149 4.312 3.960 0.338 0.000 0.291 125 G HA3 0.149 4.312 3.960 0.338 0.000 0.291 125 G C -1.573 173.170 174.900 -0.262 0.000 1.471 125 G CA -1.018 44.055 45.100 -0.045 0.000 0.798 125 G HN 0.596 nan 8.290 nan 0.000 0.504 126 N N -0.300 118.183 118.700 -0.362 0.000 2.518 126 N HA 0.471 5.414 4.740 0.338 0.000 0.283 126 N C 0.830 176.038 175.510 -0.503 0.000 1.119 126 N CA 0.670 53.522 53.050 -0.331 0.000 0.983 126 N CB 1.417 39.790 38.487 -0.189 0.000 1.139 126 N HN 1.569 nan 8.380 nan 0.000 0.465 127 G N 0.933 109.481 108.800 -0.419 0.000 2.248 127 G HA2 -0.259 3.904 3.960 0.338 0.000 0.263 127 G HA3 -0.259 3.904 3.960 0.338 0.000 0.263 127 G C -0.729 174.013 174.900 -0.263 0.000 1.082 127 G CA -0.477 44.422 45.100 -0.333 0.000 0.863 127 G HN 0.394 nan 8.290 nan 0.000 0.495 128 F N 0.738 120.570 119.950 -0.198 0.000 2.424 128 F HA 0.620 5.349 4.527 0.336 0.000 0.356 128 F C 0.783 176.567 175.800 -0.026 0.000 1.110 128 F CA -0.536 57.422 58.000 -0.070 0.000 1.161 128 F CB 1.721 40.650 39.000 -0.120 0.000 1.115 128 F HN 0.406 nan 8.300 nan 0.000 0.507 129 A N 3.049 126.112 122.820 0.406 0.000 2.253 129 A HA 0.669 5.192 4.320 0.338 0.000 0.316 129 A C -0.351 177.311 177.584 0.131 0.000 1.327 129 A CA -0.404 51.813 52.037 0.300 0.000 0.917 129 A CB 0.007 19.341 19.000 0.557 0.000 1.162 129 A HN 0.676 nan 8.150 nan 0.000 0.535 130 T N 2.809 117.199 114.554 -0.273 0.000 2.809 130 T HA 0.514 5.067 4.350 0.338 0.000 0.284 130 T C -1.013 173.535 174.700 -0.254 0.000 0.992 130 T CA -0.018 61.982 62.100 -0.166 0.000 0.957 130 T CB 0.379 69.122 68.868 -0.208 0.000 0.942 130 T HN 0.424 nan 8.240 nan 0.000 0.439 131 Y N 2.010 122.405 120.300 0.158 0.000 2.342 131 Y HA 0.644 5.398 4.550 0.340 0.000 0.334 131 Y C 0.963 176.859 175.900 -0.007 0.000 1.067 131 Y CA -1.045 57.157 58.100 0.169 0.000 1.128 131 Y CB 1.316 39.917 38.460 0.235 0.000 1.200 131 Y HN 0.311 nan 8.280 nan 0.000 0.464 132 R N 2.053 122.588 120.500 0.059 0.000 2.686 132 R HA 0.372 4.915 4.340 0.338 0.000 0.283 132 R C -1.427 174.701 176.300 -0.287 0.000 0.978 132 R CA -1.088 54.928 56.100 -0.141 0.000 0.897 132 R CB 2.077 32.315 30.300 -0.104 0.000 1.192 132 R HN 0.563 nan 8.270 nan 0.000 0.457 133 N N 1.420 119.763 118.700 -0.594 0.000 2.346 133 N HA 0.226 5.169 4.740 0.338 0.000 0.289 133 N C -1.534 173.715 175.510 -0.435 0.000 1.027 133 N CA -0.241 52.395 53.050 -0.690 0.000 0.864 133 N CB 2.157 39.875 38.487 -1.281 0.000 1.370 133 N HN 0.650 nan 8.380 nan 0.000 0.481 134 T N 0.128 114.537 114.554 -0.242 0.000 2.797 134 T HA 0.387 4.941 4.350 0.338 0.000 0.279 134 T C -0.267 174.427 174.700 -0.010 0.000 0.991 134 T CA -0.447 61.602 62.100 -0.085 0.000 0.979 134 T CB 0.991 69.820 68.868 -0.064 0.000 0.943 134 T HN 0.480 nan 8.240 nan 0.000 0.444 135 D N 0.674 121.132 120.400 0.096 0.000 2.945 135 D HA -0.207 4.636 4.640 0.338 0.000 0.225 135 D C 0.053 176.528 176.300 0.291 0.000 1.158 135 D CA 0.895 55.001 54.000 0.176 0.000 0.805 135 D CB -1.785 39.085 40.800 0.118 0.000 1.098 135 D HN 0.886 nan 8.370 nan 0.000 0.426 136 F N -0.095 119.931 119.950 0.127 0.000 2.384 136 F HA -0.330 4.400 4.527 0.338 0.000 0.199 136 F C 0.374 176.363 175.800 0.314 0.000 1.027 136 F CA 0.922 59.063 58.000 0.236 0.000 0.870 136 F CB -1.551 37.650 39.000 0.335 0.000 0.895 136 F HN 0.160 nan 8.300 nan 0.000 0.818 137 F N 1.141 121.057 119.950 -0.056 0.000 3.100 137 F HA -0.239 4.491 4.527 0.339 0.000 0.284 137 F C 1.591 177.420 175.800 0.049 0.000 0.875 137 F CA 1.483 59.453 58.000 -0.050 0.000 1.039 137 F CB -1.531 37.377 39.000 -0.154 0.000 1.111 137 F HN 1.150 nan 8.300 nan 0.000 0.575 138 G N -0.781 108.129 108.800 0.183 0.000 2.162 138 G HA2 -0.340 3.823 3.960 0.338 0.000 0.260 138 G HA3 -0.340 3.823 3.960 0.338 0.000 0.260 138 G C 0.802 175.819 174.900 0.197 0.000 0.976 138 G CA 0.354 45.550 45.100 0.160 0.000 0.655 138 G HN 0.545 nan 8.290 nan 0.000 0.533 139 L N -0.806 120.590 121.223 0.288 0.000 2.408 139 L HA 0.303 4.846 4.340 0.338 0.000 0.215 139 L C 0.638 177.657 176.870 0.249 0.000 1.081 139 L CA 0.571 55.580 54.840 0.281 0.000 0.840 139 L CB 0.467 42.756 42.059 0.384 0.000 1.002 139 L HN 0.122 nan 8.230 nan 0.000 0.468 140 V N 0.258 120.347 119.914 0.293 0.000 2.385 140 V HA 0.217 4.540 4.120 0.338 0.000 0.277 140 V C -0.929 175.316 176.094 0.251 0.000 1.012 140 V CA -0.988 61.452 62.300 0.233 0.000 0.832 140 V CB 1.269 33.200 31.823 0.181 0.000 1.028 140 V HN 0.040 nan 8.190 nan 0.000 0.436 141 D N 3.957 124.484 120.400 0.212 0.000 2.472 141 D HA 0.349 5.192 4.640 0.338 0.000 0.248 141 D C 1.301 177.718 176.300 0.196 0.000 1.174 141 D CA 1.880 55.987 54.000 0.179 0.000 0.883 141 D CB 1.401 42.290 40.800 0.147 0.000 1.149 141 D HN 0.966 nan 8.370 nan 0.000 0.488 142 G N 1.879 110.758 108.800 0.133 0.000 2.194 142 G HA2 -0.265 3.898 3.960 0.338 0.000 0.236 142 G HA3 -0.265 3.898 3.960 0.338 0.000 0.236 142 G C 0.128 175.133 174.900 0.174 0.000 0.987 142 G CA -0.233 44.892 45.100 0.041 0.000 0.635 142 G HN 0.470 nan 8.290 nan 0.000 0.520 143 L N 2.527 123.948 121.223 0.330 0.000 2.268 143 L HA 0.699 5.242 4.340 0.338 0.000 0.289 143 L C -0.916 176.155 176.870 0.335 0.000 1.064 143 L CA -0.985 54.094 54.840 0.398 0.000 0.824 143 L CB 0.846 43.123 42.059 0.363 0.000 1.202 143 L HN 0.112 nan 8.230 nan 0.000 0.433 144 D N 5.041 125.617 120.400 0.292 0.000 2.342 144 D HA 0.649 5.492 4.640 0.338 0.000 0.243 144 D C -0.776 175.717 176.300 0.321 0.000 1.019 144 D CA 0.241 54.370 54.000 0.214 0.000 0.864 144 D CB 1.820 42.687 40.800 0.112 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.048 118.961 119.950 0.097 0.000 2.686 145 F HA 0.840 5.571 4.527 0.339 0.000 0.311 145 F C -1.882 173.951 175.800 0.055 0.000 1.128 145 F CA -1.201 56.850 58.000 0.085 0.000 0.946 145 F CB 1.297 40.373 39.000 0.127 0.000 1.336 145 F HN 0.375 nan 8.300 nan 0.000 0.457 146 A N 1.661 124.598 122.820 0.195 0.000 2.455 146 A HA 0.776 5.299 4.320 0.338 0.000 0.300 146 A C -2.084 175.607 177.584 0.178 0.000 1.040 146 A CA -0.830 51.255 52.037 0.081 0.000 0.697 146 A CB 1.675 20.680 19.000 0.009 0.000 1.265 146 A HN 0.949 nan 8.150 nan 0.000 0.407 147 V N 1.932 121.956 119.914 0.185 0.000 2.495 147 V HA 0.649 4.972 4.120 0.338 0.000 0.298 147 V C -0.136 176.031 176.094 0.121 0.000 1.031 147 V CA -0.376 61.996 62.300 0.121 0.000 0.871 147 V CB 1.558 33.462 31.823 0.135 0.000 0.988 147 V HN 0.958 nan 8.190 nan 0.000 0.432 148 Q N 2.797 122.552 119.800 -0.074 0.000 2.331 148 Q HA 0.584 5.127 4.340 0.338 0.000 0.272 148 Q C -2.177 173.724 176.000 -0.166 0.000 1.062 148 Q CA -0.640 55.158 55.803 -0.008 0.000 0.806 148 Q CB 2.532 31.257 28.738 -0.021 0.000 1.312 148 Q HN 0.724 nan 8.270 nan 0.000 0.431 149 Y N 1.021 121.500 120.300 0.297 0.000 2.393 149 Y HA 0.369 5.122 4.550 0.337 0.000 0.341 149 Y C -0.386 175.697 175.900 0.305 0.000 0.988 149 Y CA -0.724 57.539 58.100 0.272 0.000 1.078 149 Y CB 2.089 40.709 38.460 0.266 0.000 1.203 149 Y HN 0.497 nan 8.280 nan 0.000 0.453 150 Q N 1.943 121.968 119.800 0.374 0.000 2.325 150 Q HA 0.586 5.129 4.340 0.338 0.000 0.270 150 Q C -0.377 175.706 176.000 0.139 0.000 1.020 150 Q CA -0.802 55.116 55.803 0.191 0.000 0.785 150 Q CB 1.550 30.325 28.738 0.062 0.000 1.259 150 Q HN 0.983 nan 8.270 nan 0.000 0.452 151 G N 2.938 111.802 108.800 0.107 0.000 2.467 151 G HA2 0.095 4.258 3.960 0.338 0.000 0.257 151 G HA3 0.095 4.258 3.960 0.338 0.000 0.257 151 G C -0.615 174.308 174.900 0.038 0.000 1.227 151 G CA -0.483 44.674 45.100 0.096 0.000 0.835 151 G HN 0.736 nan 8.290 nan 0.000 0.556 152 K N 1.297 121.727 120.400 0.050 0.000 2.476 152 K HA -0.089 4.434 4.320 0.338 0.000 0.273 152 K C -0.460 176.144 176.600 0.007 0.000 1.056 152 K CA 0.483 56.791 56.287 0.034 0.000 1.150 152 K CB 0.033 32.558 32.500 0.042 0.000 0.838 152 K HN 0.448 nan 8.250 nan 0.000 0.486 153 N N 3.161 121.851 118.700 -0.015 0.000 2.518 153 N HA 0.234 5.177 4.740 0.338 0.000 0.254 153 N C -0.228 175.271 175.510 -0.019 0.000 0.979 153 N CA -0.352 52.679 53.050 -0.032 0.000 0.930 153 N CB 1.948 40.391 38.487 -0.075 0.000 1.152 153 N HN 0.748 nan 8.380 nan 0.000 0.505 154 G N 0.327 109.123 108.800 -0.007 0.000 3.008 154 G HA2 0.431 4.594 3.960 0.338 0.000 0.181 154 G HA3 0.431 4.594 3.960 0.338 0.000 0.181 154 G C -0.152 174.750 174.900 0.004 0.000 1.309 154 G CA -0.357 44.750 45.100 0.012 0.000 1.009 154 G HN 0.415 nan 8.290 nan 0.000 0.584 155 S N -1.008 114.703 115.700 0.019 0.000 2.632 155 S HA 0.506 5.179 4.470 0.338 0.000 0.267 155 S C 1.246 175.815 174.600 -0.052 0.000 1.276 155 S CA 0.219 58.426 58.200 0.013 0.000 0.998 155 S CB 1.576 64.813 63.200 0.062 0.000 0.953 155 S HN 1.181 nan 8.310 nan 0.000 0.547 156 A N 0.023 122.777 122.820 -0.109 0.000 2.119 156 A HA 0.169 4.692 4.320 0.338 0.000 0.216 156 A C 0.636 177.846 177.584 -0.624 0.000 1.152 156 A CA 0.530 52.355 52.037 -0.354 0.000 0.708 156 A CB -0.502 18.251 19.000 -0.412 0.000 0.805 156 A HN 0.845 nan 8.150 nan 0.000 0.460 157 H N -2.365 116.717 119.070 0.020 0.000 2.930 157 H HA 0.469 5.228 4.556 0.338 0.000 0.371 157 H C 0.764 176.098 175.328 0.009 0.000 1.169 157 H CA -0.191 55.866 56.048 0.014 0.000 1.157 157 H CB 1.062 30.833 29.762 0.016 0.000 1.789 157 H HN 0.584 nan 8.280 nan 0.000 0.547 158 G N 2.112 110.982 108.800 0.116 0.000 2.539 158 G HA2 -0.262 3.901 3.960 0.338 0.000 0.256 158 G HA3 -0.262 3.901 3.960 0.338 0.000 0.256 158 G C -0.334 174.562 174.900 -0.007 0.000 1.233 158 G CA -0.142 44.982 45.100 0.040 0.000 0.936 158 G HN 0.645 nan 8.290 nan 0.000 0.571 159 E N 1.173 121.336 120.200 -0.062 0.000 2.413 159 E HA 0.390 4.943 4.350 0.338 0.000 0.263 159 E C 1.194 177.772 176.600 -0.038 0.000 1.015 159 E CA 1.171 57.506 56.400 -0.108 0.000 0.916 159 E CB 0.309 29.843 29.700 -0.276 0.000 0.947 159 E HN 2.207 nan 8.360 nan 0.000 0.440 160 G N 2.877 111.663 108.800 -0.022 0.000 2.143 160 G HA2 -0.354 3.809 3.960 0.338 0.000 0.248 160 G HA3 -0.354 3.809 3.960 0.338 0.000 0.248 160 G C 0.214 175.127 174.900 0.023 0.000 0.991 160 G CA 0.314 45.429 45.100 0.025 0.000 0.689 160 G HN 0.514 nan 8.290 nan 0.000 0.522 161 M N 2.142 121.744 119.600 0.004 0.000 2.239 161 M HA 0.491 5.174 4.480 0.338 0.000 0.348 161 M C 0.987 177.281 176.300 -0.010 0.000 1.239 161 M CA 0.951 56.246 55.300 -0.010 0.000 1.114 161 M CB 0.514 33.104 32.600 -0.018 0.000 1.641 161 M HN 0.545 nan 8.290 nan 0.000 0.453 162 T N 0.202 114.746 114.554 -0.017 0.000 2.930 162 T HA 0.270 4.823 4.350 0.338 0.000 0.290 162 T C 0.696 175.382 174.700 -0.025 0.000 1.052 162 T CA -0.467 61.626 62.100 -0.013 0.000 1.017 162 T CB 1.546 70.411 68.868 -0.005 0.000 1.137 162 T HN 0.719 nan 8.240 nan 0.000 0.511 163 T N 0.903 115.449 114.554 -0.013 0.000 2.803 163 T HA -0.128 4.425 4.350 0.338 0.000 0.269 163 T C 1.220 175.909 174.700 -0.019 0.000 1.052 163 T CA 1.807 63.898 62.100 -0.014 0.000 1.136 163 T CB -0.856 68.012 68.868 0.001 0.000 0.864 163 T HN 0.794 nan 8.240 nan 0.000 0.467 164 N N 0.691 119.382 118.700 -0.015 0.000 2.453 164 N HA 0.240 5.183 4.740 0.338 0.000 0.270 164 N C 0.477 175.967 175.510 -0.033 0.000 1.195 164 N CA -0.265 52.774 53.050 -0.019 0.000 0.902 164 N CB -0.362 38.120 38.487 -0.009 0.000 1.186 164 N HN 0.320 nan 8.380 nan 0.000 0.510 165 G N 1.186 109.956 108.800 -0.049 0.000 2.554 165 G HA2 0.272 4.435 3.960 0.338 0.000 0.238 165 G HA3 0.272 4.435 3.960 0.338 0.000 0.238 165 G C 0.089 174.956 174.900 -0.055 0.000 1.259 165 G CA -0.435 44.631 45.100 -0.056 0.000 0.843 165 G HN 0.530 nan 8.290 nan 0.000 0.582 166 R N 1.296 121.774 120.500 -0.037 0.000 2.621 166 R HA 0.342 4.885 4.340 0.338 0.000 0.284 166 R C -1.127 175.172 176.300 -0.001 0.000 0.998 166 R CA -0.948 55.138 56.100 -0.023 0.000 0.895 166 R CB 1.479 31.764 30.300 -0.025 0.000 1.195 166 R HN 0.344 nan 8.270 nan 0.000 0.450 167 D N 0.212 120.623 120.400 0.018 0.000 2.323 167 D HA -0.061 4.782 4.640 0.338 0.000 0.209 167 D C -0.362 175.961 176.300 0.037 0.000 0.973 167 D CA 0.927 54.955 54.000 0.046 0.000 0.874 167 D CB 0.246 41.094 40.800 0.079 0.000 0.930 167 D HN 0.516 nan 8.370 nan 0.000 0.521 168 D N 0.848 121.265 120.400 0.028 0.000 2.344 168 D HA -0.027 4.816 4.640 0.338 0.000 0.253 168 D C 1.396 177.714 176.300 0.031 0.000 1.255 168 D CA -0.122 53.903 54.000 0.042 0.000 0.894 168 D CB 1.295 42.125 40.800 0.050 0.000 1.067 168 D HN -0.229 nan 8.370 nan 0.000 0.492 169 V N 4.485 124.389 119.914 -0.016 0.000 2.469 169 V HA -0.264 4.059 4.120 0.338 0.000 0.251 169 V C 1.760 177.840 176.094 -0.024 0.000 1.064 169 V CA 1.406 63.673 62.300 -0.055 0.000 1.066 169 V CB -0.607 31.123 31.823 -0.155 0.000 0.667 169 V HN 0.549 nan 8.190 nan 0.000 0.461 170 F N 0.188 120.182 119.950 0.074 0.000 2.546 170 F HA -0.036 4.693 4.527 0.337 0.000 0.298 170 F C 2.099 177.898 175.800 -0.000 0.000 1.120 170 F CA 0.996 59.037 58.000 0.069 0.000 1.456 170 F CB -0.215 38.710 39.000 -0.125 0.000 1.088 170 F HN 0.270 nan 8.300 nan 0.000 0.572 171 E N -0.847 119.405 120.200 0.087 0.000 2.501 171 E HA 0.078 4.631 4.350 0.338 0.000 0.201 171 E C 0.418 176.962 176.600 -0.093 0.000 1.016 171 E CA -0.114 56.269 56.400 -0.028 0.000 0.920 171 E CB 0.261 29.942 29.700 -0.030 0.000 1.023 171 E HN 0.435 nan 8.360 nan 0.000 0.474 172 Q N 1.363 121.110 119.800 -0.088 0.000 2.199 172 Q HA 0.319 4.862 4.340 0.338 0.000 0.232 172 Q C -0.142 175.747 176.000 -0.185 0.000 0.969 172 Q CA -0.495 55.255 55.803 -0.090 0.000 0.925 172 Q CB 1.099 29.828 28.738 -0.016 0.000 1.198 172 Q HN 0.127 nan 8.270 nan 0.000 0.494 173 N N -1.273 117.380 118.700 -0.078 0.000 2.859 173 N HA 0.319 5.262 4.740 0.338 0.000 0.250 173 N C -0.982 174.579 175.510 0.086 0.000 1.341 173 N CA -0.600 52.469 53.050 0.031 0.000 0.881 173 N CB 1.023 39.515 38.487 0.008 0.000 1.516 173 N HN 0.621 nan 8.380 nan 0.000 0.503 174 G N -0.281 108.606 108.800 0.145 0.000 2.532 174 G HA2 0.262 4.425 3.960 0.338 0.000 0.291 174 G HA3 0.262 4.425 3.960 0.338 0.000 0.291 174 G C -0.539 174.423 174.900 0.104 0.000 1.349 174 G CA -0.348 44.813 45.100 0.101 0.000 1.038 174 G HN 0.606 nan 8.290 nan 0.000 0.518 175 D N -0.236 120.219 120.400 0.092 0.000 2.488 175 D HA 0.424 5.267 4.640 0.338 0.000 0.238 175 D C 0.593 176.966 176.300 0.122 0.000 1.138 175 D CA 0.925 54.991 54.000 0.110 0.000 0.873 175 D CB 1.198 42.060 40.800 0.103 0.000 1.183 175 D HN 0.547 nan 8.370 nan 0.000 0.458 176 G N -0.213 108.681 108.800 0.156 0.000 2.660 176 G HA2 0.614 4.777 3.960 0.338 0.000 0.294 176 G HA3 0.614 4.777 3.960 0.338 0.000 0.294 176 G C -1.317 173.679 174.900 0.161 0.000 1.369 176 G CA -0.538 44.647 45.100 0.141 0.000 0.912 176 G HN 0.332 nan 8.290 nan 0.000 0.479 177 V N -0.544 119.418 119.914 0.079 0.000 2.888 177 V HA 0.973 5.296 4.120 0.338 0.000 0.309 177 V C 0.384 176.447 176.094 -0.051 0.000 1.114 177 V CA -0.085 62.206 62.300 -0.016 0.000 0.940 177 V CB 1.766 33.579 31.823 -0.016 0.000 1.021 177 V HN 1.421 nan 8.190 nan 0.000 0.426 178 G N 0.764 109.502 108.800 -0.104 0.000 2.677 178 G HA2 0.819 4.982 3.960 0.338 0.000 0.291 178 G HA3 0.819 4.982 3.960 0.338 0.000 0.291 178 G C -0.830 174.023 174.900 -0.078 0.000 1.435 178 G CA -0.099 44.953 45.100 -0.080 0.000 0.826 178 G HN 1.189 nan 8.290 nan 0.000 0.491 179 G N -1.026 107.747 108.800 -0.045 0.000 2.690 179 G HA2 0.833 4.996 3.960 0.338 0.000 0.291 179 G HA3 0.833 4.996 3.960 0.338 0.000 0.291 179 G C -0.729 174.177 174.900 0.009 0.000 1.403 179 G CA 0.256 45.359 45.100 0.005 0.000 0.864 179 G HN 1.723 nan 8.290 nan 0.000 0.480 180 S N -0.613 115.122 115.700 0.058 0.000 2.541 180 S HA 0.805 5.479 4.470 0.338 0.000 0.271 180 S C -1.060 173.617 174.600 0.128 0.000 1.133 180 S CA -0.810 57.415 58.200 0.042 0.000 0.876 180 S CB 1.736 64.924 63.200 -0.020 0.000 1.105 180 S HN 0.787 nan 8.310 nan 0.000 0.470 181 I N 1.944 122.578 120.570 0.106 0.000 2.619 181 I HA 0.635 5.008 4.170 0.338 0.000 0.292 181 I C -0.757 175.455 176.117 0.159 0.000 1.100 181 I CA -0.695 60.708 61.300 0.172 0.000 1.043 181 I CB 2.461 40.540 38.000 0.131 0.000 1.239 181 I HN 0.962 nan 8.210 nan 0.000 0.420 182 T N 1.366 116.059 114.554 0.232 0.000 2.933 182 T HA 0.552 5.105 4.350 0.338 0.000 0.305 182 T C -1.498 173.413 174.700 0.351 0.000 1.092 182 T CA -0.769 61.511 62.100 0.300 0.000 1.008 182 T CB 2.135 71.210 68.868 0.344 0.000 1.102 182 T HN 0.477 nan 8.240 nan 0.000 0.469 183 Y N 2.404 122.840 120.300 0.226 0.000 2.338 183 Y HA 0.592 5.345 4.550 0.338 0.000 0.333 183 Y C -1.065 174.939 175.900 0.173 0.000 0.968 183 Y CA -1.211 56.992 58.100 0.172 0.000 1.123 183 Y CB 1.671 40.207 38.460 0.126 0.000 1.165 183 Y HN 0.799 nan 8.280 nan 0.000 0.452 184 N N 5.497 123.907 118.700 -0.484 0.000 2.354 184 N HA 0.237 5.180 4.740 0.338 0.000 0.287 184 N C -2.212 173.002 175.510 -0.494 0.000 1.016 184 N CA -0.460 52.370 53.050 -0.368 0.000 0.871 184 N CB 2.201 40.559 38.487 -0.215 0.000 1.299 184 N HN 0.672 nan 8.380 nan 0.000 0.482 185 Y N 1.526 121.589 120.300 -0.394 0.000 2.361 185 Y HA 0.115 4.868 4.550 0.338 0.000 0.328 185 Y C -0.090 175.818 175.900 0.014 0.000 1.044 185 Y CA -0.507 57.469 58.100 -0.206 0.000 1.085 185 Y CB 0.819 39.213 38.460 -0.110 0.000 1.194 185 Y HN 0.510 nan 8.280 nan 0.000 0.438 186 E N 4.351 124.240 120.200 -0.518 0.000 2.328 186 E HA -0.276 4.277 4.350 0.338 0.000 0.233 186 E C 1.074 177.563 176.600 -0.186 0.000 1.219 186 E CA 1.604 57.782 56.400 -0.371 0.000 0.717 186 E CB -1.306 28.144 29.700 -0.416 0.000 1.210 186 E HN 1.319 nan 8.360 nan 0.000 0.381 187 G N -1.221 107.410 108.800 -0.282 0.000 2.241 187 G HA2 -0.344 3.819 3.960 0.338 0.000 0.244 187 G HA3 -0.344 3.819 3.960 0.338 0.000 0.244 187 G C 0.144 174.721 174.900 -0.537 0.000 0.998 187 G CA 0.203 44.995 45.100 -0.512 0.000 0.621 187 G HN 0.230 nan 8.290 nan 0.000 0.519 188 F N 1.486 121.366 119.950 -0.117 0.000 2.384 188 F HA 0.589 5.319 4.527 0.339 0.000 0.338 188 F C 1.039 176.769 175.800 -0.117 0.000 1.103 188 F CA 0.412 58.403 58.000 -0.015 0.000 1.157 188 F CB 1.859 40.929 39.000 0.116 0.000 1.167 188 F HN 0.284 nan 8.300 nan 0.000 0.529 189 G N 3.629 112.448 108.800 0.032 0.000 2.687 189 G HA2 0.702 4.865 3.960 0.338 0.000 0.301 189 G HA3 0.702 4.865 3.960 0.338 0.000 0.301 189 G C -1.445 173.556 174.900 0.169 0.000 1.416 189 G CA -0.576 44.468 45.100 -0.093 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 0.999 121.782 120.570 0.356 0.000 2.646 190 I HA 0.873 5.246 4.170 0.338 0.000 0.299 190 I C 0.434 176.853 176.117 0.504 0.000 1.036 190 I CA -0.940 60.618 61.300 0.430 0.000 1.074 190 I CB 2.712 40.892 38.000 0.300 0.000 1.258 190 I HN 0.706 nan 8.210 nan 0.000 0.430 191 G N 2.825 111.824 108.800 0.331 0.000 2.632 191 G HA2 0.785 4.948 3.960 0.338 0.000 0.292 191 G HA3 0.785 4.948 3.960 0.338 0.000 0.292 191 G C -2.170 172.720 174.900 -0.016 0.000 1.465 191 G CA -0.517 44.648 45.100 0.108 0.000 0.824 191 G HN 0.878 nan 8.290 nan 0.000 0.509 192 A N -0.753 122.050 122.820 -0.027 0.000 2.549 192 A HA 1.076 5.599 4.320 0.338 0.000 0.297 192 A C -0.473 177.089 177.584 -0.037 0.000 1.061 192 A CA 0.016 52.044 52.037 -0.014 0.000 0.690 192 A CB 1.730 20.755 19.000 0.043 0.000 1.287 192 A HN 2.509 nan 8.150 nan 0.000 0.402 193 A N 0.627 123.424 122.820 -0.039 0.000 2.547 193 A HA 0.760 5.283 4.320 0.338 0.000 0.297 193 A C -1.390 176.168 177.584 -0.044 0.000 1.056 193 A CA -0.453 51.551 52.037 -0.055 0.000 0.688 193 A CB 1.456 20.386 19.000 -0.116 0.000 1.282 193 A HN 1.652 nan 8.150 nan 0.000 0.400 194 V N 1.369 121.244 119.914 -0.065 0.000 2.789 194 V HA 0.860 5.183 4.120 0.338 0.000 0.311 194 V C -0.028 175.967 176.094 -0.164 0.000 1.073 194 V CA -0.119 62.095 62.300 -0.144 0.000 0.921 194 V CB 2.090 33.873 31.823 -0.067 0.000 1.009 194 V HN 1.465 nan 8.190 nan 0.000 0.426 195 S N 1.602 117.154 115.700 -0.247 0.000 2.588 195 S HA 0.853 5.526 4.470 0.338 0.000 0.275 195 S C -0.853 173.621 174.600 -0.210 0.000 1.130 195 S CA -0.709 57.392 58.200 -0.165 0.000 0.855 195 S CB 2.100 65.243 63.200 -0.093 0.000 1.116 195 S HN 0.959 nan 8.310 nan 0.000 0.472 196 S N 0.979 116.604 115.700 -0.125 0.000 2.706 196 S HA 0.664 5.337 4.470 0.338 0.000 0.270 196 S C -1.400 173.159 174.600 -0.068 0.000 1.163 196 S CA -0.415 57.710 58.200 -0.124 0.000 1.042 196 S CB 0.801 63.945 63.200 -0.093 0.000 1.079 196 S HN 0.787 nan 8.310 nan 0.000 0.474 197 S N 3.734 119.362 115.700 -0.119 0.000 2.500 197 S HA 0.471 5.144 4.470 0.338 0.000 0.301 197 S C -0.538 173.999 174.600 -0.104 0.000 1.092 197 S CA -0.832 57.339 58.200 -0.047 0.000 1.030 197 S CB 1.588 64.826 63.200 0.062 0.000 1.031 197 S HN 0.741 nan 8.310 nan 0.000 0.483 198 K N 1.744 122.137 120.400 -0.012 0.000 2.382 198 K HA 0.209 4.732 4.320 0.338 0.000 0.275 198 K C -0.146 176.460 176.600 0.011 0.000 1.009 198 K CA -0.064 56.215 56.287 -0.014 0.000 0.970 198 K CB 0.495 33.012 32.500 0.028 0.000 0.934 198 K HN 0.500 nan 8.250 nan 0.000 0.479 199 R N 1.053 121.531 120.500 -0.037 0.000 2.457 199 R HA 0.141 4.684 4.340 0.338 0.000 0.284 199 R C 0.066 176.384 176.300 0.030 0.000 1.024 199 R CA -0.466 55.627 56.100 -0.012 0.000 1.025 199 R CB 1.362 31.566 30.300 -0.160 0.000 1.063 199 R HN 0.726 nan 8.270 nan 0.000 0.493 200 T N -2.085 112.502 114.554 0.055 0.000 2.816 200 T HA 0.037 4.590 4.350 0.338 0.000 0.282 200 T C 0.870 175.638 174.700 0.113 0.000 0.993 200 T CA -0.691 61.467 62.100 0.097 0.000 0.994 200 T CB 0.816 69.746 68.868 0.102 0.000 1.025 200 T HN 0.767 nan 8.240 nan 0.000 0.529 201 W N 0.921 122.226 121.300 0.007 0.000 2.355 201 W HA -0.045 4.817 4.660 0.337 0.000 0.309 201 W C 1.678 178.208 176.519 0.017 0.000 1.206 201 W CA 1.691 59.042 57.345 0.010 0.000 1.284 201 W CB -0.435 29.033 29.460 0.013 0.000 1.145 201 W HN 0.835 nan 8.180 nan 0.000 0.502 202 D N -0.360 120.193 120.400 0.254 0.000 2.123 202 D HA -0.251 4.592 4.640 0.338 0.000 0.196 202 D C 2.080 178.367 176.300 -0.022 0.000 0.992 202 D CA 1.782 55.855 54.000 0.122 0.000 0.833 202 D CB -0.561 40.332 40.800 0.155 0.000 0.954 202 D HN 0.343 nan 8.370 nan 0.000 0.455 203 Q N -0.415 119.386 119.800 0.001 0.000 2.167 203 Q HA -0.050 4.493 4.340 0.338 0.000 0.202 203 Q C 1.137 177.108 176.000 -0.049 0.000 0.970 203 Q CA 0.777 56.593 55.803 0.022 0.000 0.855 203 Q CB 0.118 28.801 28.738 -0.092 0.000 0.911 203 Q HN 0.230 nan 8.270 nan 0.000 0.438 204 N N -0.145 118.449 118.700 -0.177 0.000 2.280 204 N HA 0.034 4.977 4.740 0.338 0.000 0.192 204 N C 0.053 175.364 175.510 -0.333 0.000 1.109 204 N CA 0.383 53.300 53.050 -0.221 0.000 0.855 204 N CB 0.537 38.885 38.487 -0.232 0.000 0.974 204 N HN 0.189 nan 8.380 nan 0.000 0.482 205 N N -0.323 118.102 118.700 -0.458 0.000 2.387 205 N HA 0.055 4.998 4.740 0.338 0.000 0.259 205 N C -0.074 175.239 175.510 -0.328 0.000 1.369 205 N CA 0.230 52.921 53.050 -0.600 0.000 0.867 205 N CB 1.043 38.617 38.487 -1.521 0.000 1.341 205 N HN 0.118 nan 8.380 nan 0.000 0.495 206 T N -3.264 111.193 114.554 -0.162 0.000 3.228 206 T HA 0.320 4.873 4.350 0.338 0.000 0.278 206 T C 1.137 175.815 174.700 -0.037 0.000 1.014 206 T CA 0.128 62.185 62.100 -0.070 0.000 0.904 206 T CB 0.380 69.223 68.868 -0.042 0.000 1.110 206 T HN 0.181 nan 8.240 nan 0.000 0.541 207 G N 1.546 110.323 108.800 -0.038 0.000 2.160 207 G HA2 -0.227 3.937 3.960 0.338 0.000 0.251 207 G HA3 -0.227 3.937 3.960 0.338 0.000 0.251 207 G C -0.068 174.849 174.900 0.028 0.000 1.008 207 G CA 0.317 45.414 45.100 -0.004 0.000 0.724 207 G HN 0.671 nan 8.290 nan 0.000 0.514 208 L N 0.383 121.634 121.223 0.047 0.000 2.439 208 L HA 0.676 5.219 4.340 0.338 0.000 0.259 208 L C 1.610 178.573 176.870 0.154 0.000 1.129 208 L CA -1.279 53.612 54.840 0.086 0.000 0.803 208 L CB 0.811 42.893 42.059 0.038 0.000 1.161 208 L HN 0.340 nan 8.230 nan 0.000 0.462 209 I N -1.344 119.334 120.570 0.181 0.000 2.823 209 I HA 0.541 4.914 4.170 0.338 0.000 0.290 209 I C 0.900 177.211 176.117 0.324 0.000 1.091 209 I CA -0.232 61.198 61.300 0.217 0.000 1.365 209 I CB 0.749 38.882 38.000 0.221 0.000 1.427 209 I HN 0.763 nan 8.210 nan 0.000 0.583 210 G N 2.809 111.770 108.800 0.270 0.000 2.289 210 G HA2 -0.199 3.964 3.960 0.338 0.000 0.280 210 G HA3 -0.199 3.964 3.960 0.338 0.000 0.280 210 G C 0.042 175.073 174.900 0.218 0.000 1.089 210 G CA 0.203 45.475 45.100 0.287 0.000 0.939 210 G HN 1.268 nan 8.290 nan 0.000 0.499 211 T N -1.856 112.774 114.554 0.126 0.000 2.902 211 T HA 0.966 5.519 4.350 0.338 0.000 0.280 211 T C 0.715 175.400 174.700 -0.026 0.000 0.992 211 T CA 0.190 62.296 62.100 0.010 0.000 1.015 211 T CB 2.836 71.707 68.868 0.005 0.000 1.044 211 T HN 2.144 nan 8.240 nan 0.000 0.520 212 G N -0.213 108.539 108.800 -0.079 0.000 2.337 212 G HA2 0.176 4.339 3.960 0.338 0.000 0.298 212 G HA3 0.176 4.339 3.960 0.338 0.000 0.298 212 G C -0.089 174.752 174.900 -0.099 0.000 1.335 212 G CA -0.118 44.941 45.100 -0.068 0.000 0.875 212 G HN 0.625 nan 8.290 nan 0.000 0.579 213 D N -0.416 119.940 120.400 -0.074 0.000 2.178 213 D HA -0.020 4.823 4.640 0.338 0.000 0.201 213 D C 0.693 176.933 176.300 -0.100 0.000 0.980 213 D CA 1.017 54.978 54.000 -0.066 0.000 0.842 213 D CB 0.216 40.992 40.800 -0.041 0.000 0.948 213 D HN 0.362 nan 8.370 nan 0.000 0.472 214 R N -0.957 119.460 120.500 -0.139 0.000 2.698 214 R HA 0.609 5.152 4.340 0.338 0.000 0.275 214 R C -1.090 175.039 176.300 -0.285 0.000 1.001 214 R CA -0.722 55.266 56.100 -0.188 0.000 0.896 214 R CB 2.367 32.589 30.300 -0.129 0.000 1.218 214 R HN -0.136 nan 8.270 nan 0.000 0.462 215 A N 2.252 124.785 122.820 -0.479 0.000 2.276 215 A HA 0.495 5.018 4.320 0.338 0.000 0.316 215 A C -0.667 176.678 177.584 -0.398 0.000 1.229 215 A CA -0.430 51.222 52.037 -0.641 0.000 0.851 215 A CB 0.731 18.753 19.000 -1.629 0.000 1.165 215 A HN 0.722 nan 8.150 nan 0.000 0.513 216 E N 0.705 120.785 120.200 -0.199 0.000 2.293 216 E HA 0.615 5.168 4.350 0.338 0.000 0.270 216 E C -0.925 175.600 176.600 -0.126 0.000 0.879 216 E CA -0.725 55.575 56.400 -0.167 0.000 0.756 216 E CB 2.480 32.134 29.700 -0.077 0.000 1.208 216 E HN 0.733 nan 8.360 nan 0.000 0.428 217 T N -0.626 113.710 114.554 -0.364 0.000 2.912 217 T HA 0.610 5.163 4.350 0.338 0.000 0.299 217 T C -1.392 172.957 174.700 -0.585 0.000 1.052 217 T CA -0.688 61.242 62.100 -0.283 0.000 0.996 217 T CB 0.614 69.400 68.868 -0.137 0.000 1.070 217 T HN 0.370 nan 8.240 nan 0.000 0.465 218 Y N 0.528 120.851 120.300 0.037 0.000 2.373 218 Y HA 0.630 5.383 4.550 0.339 0.000 0.336 218 Y C 0.222 176.121 175.900 -0.001 0.000 0.979 218 Y CA -0.863 57.257 58.100 0.033 0.000 1.080 218 Y CB 2.784 41.295 38.460 0.084 0.000 1.190 218 Y HN 0.780 nan 8.280 nan 0.000 0.446 219 T N 2.229 116.847 114.554 0.107 0.000 2.881 219 T HA 0.695 5.248 4.350 0.338 0.000 0.290 219 T C -0.119 174.617 174.700 0.061 0.000 1.000 219 T CA -0.902 61.218 62.100 0.034 0.000 0.978 219 T CB 1.656 70.480 68.868 -0.073 0.000 0.997 219 T HN 0.883 nan 8.240 nan 0.000 0.443 220 G N 0.521 109.390 108.800 0.114 0.000 2.482 220 G HA2 0.777 4.940 3.960 0.338 0.000 0.317 220 G HA3 0.777 4.940 3.960 0.338 0.000 0.317 220 G C -0.663 174.296 174.900 0.099 0.000 1.241 220 G CA -0.871 44.297 45.100 0.113 0.000 0.967 220 G HN 0.951 nan 8.290 nan 0.000 0.482 221 G N -0.651 108.198 108.800 0.081 0.000 2.720 221 G HA2 0.633 4.796 3.960 0.338 0.000 0.295 221 G HA3 0.633 4.796 3.960 0.338 0.000 0.295 221 G C -1.568 173.553 174.900 0.368 0.000 1.437 221 G CA -0.646 44.535 45.100 0.135 0.000 0.886 221 G HN 0.695 nan 8.290 nan 0.000 0.509 222 L N 0.378 121.872 121.223 0.451 0.000 2.434 222 L HA 0.764 5.307 4.340 0.338 0.000 0.260 222 L C -0.527 176.493 176.870 0.251 0.000 0.983 222 L CA -0.986 54.086 54.840 0.386 0.000 0.820 222 L CB 3.009 45.216 42.059 0.246 0.000 1.361 222 L HN 0.847 nan 8.230 nan 0.000 0.410 223 K N 1.168 121.570 120.400 0.003 0.000 2.562 223 K HA 0.516 5.039 4.320 0.338 0.000 0.267 223 K C -2.127 174.319 176.600 -0.257 0.000 0.938 223 K CA -0.930 55.191 56.287 -0.276 0.000 0.840 223 K CB 2.399 34.503 32.500 -0.660 0.000 1.390 223 K HN 0.398 nan 8.250 nan 0.000 0.428 224 Y N 1.627 121.633 120.300 -0.489 0.000 2.350 224 Y HA 0.425 5.178 4.550 0.339 0.000 0.338 224 Y C -1.597 173.963 175.900 -0.566 0.000 0.961 224 Y CA -0.624 57.149 58.100 -0.546 0.000 1.100 224 Y CB 2.042 40.203 38.460 -0.499 0.000 1.179 224 Y HN 0.865 nan 8.280 nan 0.000 0.454 225 D N 5.091 124.862 120.400 -1.048 0.000 2.429 225 D HA 0.635 5.478 4.640 0.338 0.000 0.255 225 D C -1.502 174.354 176.300 -0.740 0.000 1.257 225 D CA 0.149 53.756 54.000 -0.656 0.000 0.890 225 D CB 0.375 40.970 40.800 -0.343 0.000 1.267 225 D HN 0.820 nan 8.370 nan 0.000 0.521 226 A N 2.120 124.443 122.820 -0.828 0.000 2.540 226 A HA 0.551 5.074 4.320 0.338 0.000 0.291 226 A C -0.309 177.096 177.584 -0.298 0.000 1.083 226 A CA -0.729 50.979 52.037 -0.549 0.000 0.650 226 A CB 0.650 19.283 19.000 -0.612 0.000 1.292 226 A HN 0.220 nan 8.150 nan 0.000 0.435 227 N N 1.438 120.035 118.700 -0.172 0.000 2.708 227 N HA -0.228 4.715 4.740 0.338 0.000 0.251 227 N C 0.175 175.629 175.510 -0.094 0.000 1.017 227 N CA 1.357 54.363 53.050 -0.072 0.000 0.742 227 N CB -0.951 37.557 38.487 0.034 0.000 0.943 227 N HN 0.824 nan 8.380 nan 0.000 0.539 228 N N -2.316 116.256 118.700 -0.215 0.000 2.900 228 N HA -0.229 4.714 4.740 0.338 0.000 0.240 228 N C -0.104 175.177 175.510 -0.381 0.000 0.953 228 N CA 1.380 54.189 53.050 -0.402 0.000 0.950 228 N CB -1.113 36.978 38.487 -0.661 0.000 1.102 228 N HN 0.602 nan 8.380 nan 0.000 0.593 229 I N 0.524 121.036 120.570 -0.096 0.000 2.359 229 I HA 0.253 4.626 4.170 0.338 0.000 0.294 229 I C -0.215 175.929 176.117 0.045 0.000 0.987 229 I CA -0.748 60.602 61.300 0.084 0.000 1.225 229 I CB 1.126 39.270 38.000 0.239 0.000 1.366 229 I HN -0.035 nan 8.210 nan 0.000 0.466 230 Y N 7.227 127.499 120.300 -0.047 0.000 2.338 230 Y HA 0.645 5.399 4.550 0.339 0.000 0.328 230 Y C -1.374 174.527 175.900 0.001 0.000 0.965 230 Y CA -0.618 57.435 58.100 -0.078 0.000 1.208 230 Y CB 1.053 39.444 38.460 -0.114 0.000 1.132 230 Y HN 0.368 nan 8.280 nan 0.000 0.469 231 L N 5.761 126.751 121.223 -0.389 0.000 2.365 231 L HA 0.990 5.533 4.340 0.338 0.000 0.273 231 L C -0.746 175.868 176.870 -0.427 0.000 1.000 231 L CA -0.972 53.730 54.840 -0.230 0.000 0.819 231 L CB 1.935 43.960 42.059 -0.057 0.000 1.284 231 L HN 0.736 nan 8.230 nan 0.000 0.418 232 A N 2.484 125.191 122.820 -0.189 0.000 2.589 232 A HA 0.947 5.471 4.320 0.338 0.000 0.296 232 A C -1.614 175.995 177.584 0.042 0.000 1.062 232 A CA -0.283 51.703 52.037 -0.085 0.000 0.686 232 A CB 1.957 20.925 19.000 -0.052 0.000 1.282 232 A HN 0.813 nan 8.150 nan 0.000 0.404 233 A N 1.020 123.902 122.820 0.102 0.000 2.488 233 A HA 0.799 5.322 4.320 0.338 0.000 0.298 233 A C -1.028 176.619 177.584 0.106 0.000 1.044 233 A CA -0.336 51.733 52.037 0.052 0.000 0.693 233 A CB 1.613 20.712 19.000 0.165 0.000 1.272 233 A HN 1.916 nan 8.150 nan 0.000 0.402 234 Q N 0.521 120.315 119.800 -0.009 0.000 2.347 234 Q HA 0.687 5.230 4.340 0.338 0.000 0.271 234 Q C -1.688 174.421 176.000 0.182 0.000 1.064 234 Q CA -0.617 55.231 55.803 0.075 0.000 0.800 234 Q CB 1.739 30.473 28.738 -0.006 0.000 1.304 234 Q HN 0.832 nan 8.270 nan 0.000 0.438 235 Y N 1.322 121.727 120.300 0.175 0.000 2.341 235 Y HA 0.723 5.477 4.550 0.339 0.000 0.338 235 Y C -1.289 174.695 175.900 0.141 0.000 0.965 235 Y CA -0.373 57.873 58.100 0.244 0.000 1.108 235 Y CB 2.328 40.952 38.460 0.274 0.000 1.180 235 Y HN 0.828 nan 8.280 nan 0.000 0.458 236 T N 6.339 120.542 114.554 -0.585 0.000 2.881 236 T HA 0.289 4.842 4.350 0.338 0.000 0.290 236 T C -1.362 172.997 174.700 -0.568 0.000 1.000 236 T CA -0.703 61.158 62.100 -0.398 0.000 0.978 236 T CB 1.499 70.272 68.868 -0.159 0.000 0.997 236 T HN 0.644 nan 8.240 nan 0.000 0.443 237 Q N 2.162 121.811 119.800 -0.252 0.000 2.322 237 Q HA 0.619 5.162 4.340 0.338 0.000 0.265 237 Q C -0.555 175.449 176.000 0.006 0.000 0.985 237 Q CA -0.636 55.091 55.803 -0.126 0.000 0.849 237 Q CB 1.058 29.850 28.738 0.089 0.000 1.274 237 Q HN 0.816 nan 8.270 nan 0.000 0.449 238 T N 0.369 114.825 114.554 -0.162 0.000 2.908 238 T HA 0.623 5.176 4.350 0.338 0.000 0.290 238 T C -1.165 173.337 174.700 -0.329 0.000 1.034 238 T CA -0.507 61.542 62.100 -0.086 0.000 1.010 238 T CB 0.882 69.739 68.868 -0.018 0.000 1.068 238 T HN 0.409 nan 8.240 nan 0.000 0.481 239 Y N 1.080 121.401 120.300 0.034 0.000 2.346 239 Y HA 0.443 5.196 4.550 0.338 0.000 0.332 239 Y C 0.566 176.429 175.900 -0.062 0.000 0.985 239 Y CA -1.193 56.918 58.100 0.017 0.000 1.112 239 Y CB 1.475 39.953 38.460 0.031 0.000 1.170 239 Y HN 0.795 nan 8.280 nan 0.000 0.447 240 N N 0.957 119.710 118.700 0.088 0.000 2.708 240 N HA -0.240 4.703 4.740 0.338 0.000 0.249 240 N C 0.345 175.754 175.510 -0.169 0.000 1.097 240 N CA 1.145 54.175 53.050 -0.032 0.000 0.710 240 N CB -0.921 37.472 38.487 -0.155 0.000 1.032 240 N HN 0.825 nan 8.380 nan 0.000 0.551 241 A N -1.798 121.056 122.820 0.055 0.000 2.048 241 A HA 0.207 4.730 4.320 0.338 0.000 0.197 241 A C 0.728 178.586 177.584 0.457 0.000 1.486 241 A CA 0.581 52.696 52.037 0.130 0.000 1.029 241 A CB 0.500 19.506 19.000 0.011 0.000 1.101 241 A HN 0.155 nan 8.150 nan 0.000 0.470 242 T N 1.538 116.322 114.554 0.382 0.000 2.744 242 T HA 0.388 4.941 4.350 0.338 0.000 0.291 242 T C 0.029 174.952 174.700 0.372 0.000 0.957 242 T CA -0.351 61.946 62.100 0.329 0.000 1.002 242 T CB 0.961 69.937 68.868 0.181 0.000 0.919 242 T HN 0.417 nan 8.240 nan 0.000 0.468 243 R N 2.658 123.318 120.500 0.267 0.000 2.491 243 R HA 0.332 4.875 4.340 0.338 0.000 0.283 243 R C -0.895 175.386 176.300 -0.032 0.000 1.072 243 R CA -0.205 55.911 56.100 0.027 0.000 1.048 243 R CB 0.349 30.556 30.300 -0.155 0.000 0.983 243 R HN 0.406 nan 8.270 nan 0.000 0.450 244 V N 6.110 125.975 119.914 -0.081 0.000 2.225 244 V HA 0.276 4.599 4.120 0.338 0.000 0.264 244 V C 1.077 177.040 176.094 -0.218 0.000 1.067 244 V CA 0.270 62.537 62.300 -0.055 0.000 0.903 244 V CB -0.016 31.857 31.823 0.082 0.000 1.136 244 V HN 1.206 nan 8.190 nan 0.000 0.456 245 G N 4.099 112.730 108.800 -0.282 0.000 2.611 245 G HA2 -0.353 3.810 3.960 0.338 0.000 0.301 245 G HA3 -0.353 3.810 3.960 0.338 0.000 0.301 245 G C 1.151 175.789 174.900 -0.438 0.000 1.233 245 G CA 0.782 45.676 45.100 -0.343 0.000 0.993 245 G HN 1.225 nan 8.290 nan 0.000 0.553 246 S N 0.018 115.525 115.700 -0.322 0.000 2.593 246 S HA 0.358 5.031 4.470 0.338 0.000 0.217 246 S C 2.263 176.817 174.600 -0.076 0.000 0.966 246 S CA 1.071 59.130 58.200 -0.234 0.000 0.914 246 S CB 0.200 63.310 63.200 -0.149 0.000 0.776 246 S HN 0.577 nan 8.310 nan 0.000 0.523 247 L N 0.842 122.005 121.223 -0.100 0.000 2.179 247 L HA 0.311 4.854 4.340 0.338 0.000 0.208 247 L C 1.682 178.586 176.870 0.058 0.000 1.096 247 L CA 0.800 55.636 54.840 -0.006 0.000 0.779 247 L CB -0.636 41.409 42.059 -0.024 0.000 0.922 247 L HN 0.677 nan 8.230 nan 0.000 0.443 248 G N -1.984 106.844 108.800 0.046 0.000 2.295 248 G HA2 -0.083 4.080 3.960 0.338 0.000 0.155 248 G HA3 -0.083 4.080 3.960 0.338 0.000 0.155 248 G C -1.717 173.122 174.900 -0.101 0.000 1.307 248 G CA -0.692 44.361 45.100 -0.079 0.000 1.140 248 G HN -0.029 nan 8.290 nan 0.000 0.470 249 W N 0.337 121.787 121.300 0.250 0.000 2.894 249 W HA 0.721 5.584 4.660 0.337 0.000 0.345 249 W C 0.234 176.843 176.519 0.151 0.000 1.152 249 W CA -0.341 57.134 57.345 0.216 0.000 1.089 249 W CB 1.975 31.567 29.460 0.219 0.000 1.454 249 W HN 0.966 nan 8.180 nan 0.000 0.589 250 A N 1.738 124.776 122.820 0.365 0.000 2.289 250 A HA 0.200 4.723 4.320 0.338 0.000 0.298 250 A C 0.932 178.618 177.584 0.169 0.000 1.208 250 A CA -0.382 51.782 52.037 0.213 0.000 0.845 250 A CB 0.246 19.326 19.000 0.133 0.000 1.125 250 A HN 0.653 nan 8.150 nan 0.000 0.517 251 N N 1.052 119.840 118.700 0.147 0.000 2.091 251 N HA -0.136 4.807 4.740 0.338 0.000 0.193 251 N C 0.477 176.036 175.510 0.082 0.000 1.021 251 N CA 1.560 54.687 53.050 0.128 0.000 0.862 251 N CB -0.020 38.538 38.487 0.119 0.000 1.018 251 N HN 0.771 nan 8.380 nan 0.000 0.429 252 K N -0.408 119.986 120.400 -0.009 0.000 2.501 252 K HA 0.581 5.104 4.320 0.338 0.000 0.252 252 K C -1.950 174.568 176.600 -0.136 0.000 0.934 252 K CA -0.555 55.603 56.287 -0.216 0.000 0.797 252 K CB 2.208 34.579 32.500 -0.214 0.000 1.270 252 K HN -0.026 nan 8.250 nan 0.000 0.431 253 A N 3.396 126.105 122.820 -0.186 0.000 2.414 253 A HA 0.468 4.991 4.320 0.338 0.000 0.306 253 A C -1.520 175.995 177.584 -0.115 0.000 1.054 253 A CA -0.721 51.263 52.037 -0.088 0.000 0.724 253 A CB 1.676 20.664 19.000 -0.020 0.000 1.267 253 A HN 0.707 nan 8.150 nan 0.000 0.418 254 Q N 1.806 121.578 119.800 -0.046 0.000 2.348 254 Q HA 0.375 4.918 4.340 0.338 0.000 0.265 254 Q C -1.166 174.829 176.000 -0.009 0.000 0.998 254 Q CA -0.714 55.073 55.803 -0.028 0.000 0.831 254 Q CB 1.599 30.427 28.738 0.150 0.000 1.251 254 Q HN 0.682 nan 8.270 nan 0.000 0.456 255 N N 2.440 121.052 118.700 -0.146 0.000 2.372 255 N HA 0.516 5.459 4.740 0.338 0.000 0.291 255 N C -1.525 174.035 175.510 0.083 0.000 1.024 255 N CA -0.302 52.731 53.050 -0.029 0.000 0.873 255 N CB 1.546 40.009 38.487 -0.040 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.721 120.690 119.950 0.030 0.000 2.581 256 F HA 0.413 5.144 4.527 0.339 0.000 0.311 256 F C -1.050 174.778 175.800 0.047 0.000 1.113 256 F CA -0.607 57.471 58.000 0.130 0.000 0.935 256 F CB 1.625 40.783 39.000 0.263 0.000 1.232 256 F HN 0.346 nan 8.300 nan 0.000 0.445 257 E N 4.390 124.122 120.200 -0.780 0.000 2.275 257 E HA 0.749 5.302 4.350 0.338 0.000 0.270 257 E C -1.568 174.580 176.600 -0.753 0.000 0.882 257 E CA -1.225 54.821 56.400 -0.590 0.000 0.758 257 E CB 2.180 31.734 29.700 -0.244 0.000 1.195 257 E HN 0.727 nan 8.360 nan 0.000 0.419 258 A N 1.933 124.492 122.820 -0.435 0.000 2.475 258 A HA 0.793 5.316 4.320 0.338 0.000 0.301 258 A C -1.184 176.399 177.584 -0.001 0.000 1.059 258 A CA -0.648 51.281 52.037 -0.181 0.000 0.710 258 A CB 1.555 20.546 19.000 -0.015 0.000 1.288 258 A HN 0.293 nan 8.150 nan 0.000 0.408 259 V N 0.126 120.073 119.914 0.054 0.000 2.808 259 V HA 0.805 5.128 4.120 0.338 0.000 0.308 259 V C -0.067 176.102 176.094 0.125 0.000 1.099 259 V CA -0.262 62.105 62.300 0.111 0.000 0.920 259 V CB 1.608 33.533 31.823 0.170 0.000 1.014 259 V HN 1.642 nan 8.190 nan 0.000 0.425 260 A N 3.909 126.809 122.820 0.133 0.000 2.356 260 A HA 0.921 5.444 4.320 0.338 0.000 0.310 260 A C -0.847 176.830 177.584 0.155 0.000 1.075 260 A CA -0.550 51.566 52.037 0.132 0.000 0.746 260 A CB 1.774 20.833 19.000 0.099 0.000 1.221 260 A HN 0.809 nan 8.150 nan 0.000 0.443 261 Q N 0.194 120.102 119.800 0.180 0.000 2.416 261 Q HA 0.531 5.074 4.340 0.338 0.000 0.281 261 Q C -2.114 173.986 176.000 0.167 0.000 1.067 261 Q CA -0.618 55.282 55.803 0.161 0.000 0.809 261 Q CB 2.972 31.790 28.738 0.133 0.000 1.418 261 Q HN 0.743 nan 8.270 nan 0.000 0.411 262 Y N 0.823 121.099 120.300 -0.039 0.000 2.492 262 Y HA 0.353 5.106 4.550 0.339 0.000 0.346 262 Y C -1.391 174.380 175.900 -0.214 0.000 0.997 262 Y CA -0.631 57.368 58.100 -0.169 0.000 1.025 262 Y CB 2.247 40.531 38.460 -0.294 0.000 1.263 262 Y HN 0.550 nan 8.280 nan 0.000 0.454 263 Q N 4.997 124.225 119.800 -0.953 0.000 2.413 263 Q HA 0.414 4.957 4.340 0.338 0.000 0.258 263 Q C -1.953 173.573 176.000 -0.790 0.000 1.037 263 Q CA -0.345 55.084 55.803 -0.624 0.000 0.764 263 Q CB 0.202 28.661 28.738 -0.464 0.000 1.217 263 Q HN 0.534 nan 8.270 nan 0.000 0.490 264 F N 2.484 122.221 119.950 -0.355 0.000 2.529 264 F HA 0.058 4.787 4.527 0.338 0.000 0.365 264 F C 1.339 176.905 175.800 -0.390 0.000 1.102 264 F CA 0.075 57.883 58.000 -0.320 0.000 1.271 264 F CB 0.703 39.321 39.000 -0.635 0.000 1.120 264 F HN 0.621 nan 8.300 nan 0.000 0.579 265 D N 2.293 122.691 120.400 -0.002 0.000 2.170 265 D HA -0.290 4.553 4.640 0.338 0.000 0.193 265 D C 1.946 178.274 176.300 0.047 0.000 1.004 265 D CA 1.957 55.968 54.000 0.019 0.000 0.860 265 D CB -0.405 40.464 40.800 0.116 0.000 0.931 265 D HN 0.588 nan 8.370 nan 0.000 0.448 266 F N -2.104 117.941 119.950 0.159 0.000 2.699 266 F HA 0.272 5.002 4.527 0.338 0.000 0.298 266 F C 1.600 177.476 175.800 0.126 0.000 1.154 266 F CA 0.763 58.848 58.000 0.142 0.000 1.457 266 F CB 0.006 39.098 39.000 0.152 0.000 1.106 266 F HN 0.012 nan 8.300 nan 0.000 0.585 267 G N 0.473 109.127 108.800 -0.243 0.000 2.480 267 G HA2 -0.174 3.989 3.960 0.338 0.000 0.193 267 G HA3 -0.174 3.989 3.960 0.338 0.000 0.193 267 G C -0.364 174.408 174.900 -0.214 0.000 1.004 267 G CA -0.199 44.733 45.100 -0.280 0.000 0.696 267 G HN 0.381 nan 8.290 nan 0.000 0.478 268 L N 1.879 123.000 121.223 -0.169 0.000 2.367 268 L HA 0.766 5.309 4.340 0.338 0.000 0.275 268 L C 0.601 177.563 176.870 0.154 0.000 1.129 268 L CA -0.294 54.614 54.840 0.113 0.000 0.839 268 L CB 0.855 43.041 42.059 0.212 0.000 1.133 268 L HN 0.264 nan 8.230 nan 0.000 0.453 269 R N 6.126 126.731 120.500 0.174 0.000 2.415 269 R HA 0.480 5.023 4.340 0.338 0.000 0.292 269 R C -2.628 173.776 176.300 0.173 0.000 1.295 269 R CA -1.676 54.519 56.100 0.158 0.000 1.137 269 R CB 0.952 31.351 30.300 0.165 0.000 1.135 269 R HN 0.451 nan 8.270 nan 0.000 0.560 270 P HA 0.092 nan 4.420 nan 0.000 0.272 270 P C -1.062 176.336 177.300 0.163 0.000 1.223 270 P CA -0.231 62.998 63.100 0.215 0.000 0.784 270 P CB 1.417 33.285 31.700 0.280 0.000 0.923 271 S N 1.207 116.995 115.700 0.147 0.000 2.572 271 S HA 0.670 5.343 4.470 0.338 0.000 0.274 271 S C -1.819 172.862 174.600 0.136 0.000 1.150 271 S CA -0.515 57.763 58.200 0.130 0.000 0.944 271 S CB 0.234 63.495 63.200 0.103 0.000 1.071 271 S HN 0.299 nan 8.310 nan 0.000 0.479 272 L N 4.256 125.558 121.223 0.132 0.000 2.409 272 L HA 0.978 5.521 4.340 0.338 0.000 0.272 272 L C -0.719 176.229 176.870 0.130 0.000 0.980 272 L CA 0.047 54.964 54.840 0.129 0.000 0.826 272 L CB 1.499 43.627 42.059 0.115 0.000 1.268 272 L HN 0.850 nan 8.230 nan 0.000 0.407 273 A N 3.762 126.665 122.820 0.139 0.000 2.587 273 A HA 0.754 5.277 4.320 0.338 0.000 0.293 273 A C -2.302 175.372 177.584 0.149 0.000 1.087 273 A CA -0.471 51.642 52.037 0.127 0.000 0.692 273 A CB 1.375 20.440 19.000 0.107 0.000 1.291 273 A HN 0.724 nan 8.150 nan 0.000 0.407 274 Y N 0.707 120.981 120.300 -0.044 0.000 2.421 274 Y HA 0.708 5.462 4.550 0.339 0.000 0.339 274 Y C -1.900 173.880 175.900 -0.200 0.000 0.996 274 Y CA -0.960 57.089 58.100 -0.085 0.000 1.046 274 Y CB 1.550 40.026 38.460 0.026 0.000 1.226 274 Y HN 0.621 nan 8.280 nan 0.000 0.445 275 L N 5.356 125.970 121.223 -1.015 0.000 2.401 275 L HA 0.626 5.169 4.340 0.338 0.000 0.266 275 L C -1.031 175.288 176.870 -0.917 0.000 0.991 275 L CA -0.510 53.806 54.840 -0.872 0.000 0.818 275 L CB 2.435 43.954 42.059 -0.900 0.000 1.321 275 L HN 0.688 nan 8.230 nan 0.000 0.413 276 Q N 0.974 120.501 119.800 -0.454 0.000 2.295 276 Q HA 0.589 5.132 4.340 0.338 0.000 0.268 276 Q C -1.726 174.245 176.000 -0.049 0.000 1.010 276 Q CA -0.337 55.332 55.803 -0.223 0.000 0.856 276 Q CB 2.428 31.143 28.738 -0.037 0.000 1.349 276 Q HN 0.564 nan 8.270 nan 0.000 0.412 277 S N 3.219 118.901 115.700 -0.030 0.000 2.659 277 S HA 0.464 5.137 4.470 0.338 0.000 0.312 277 S C -1.346 173.267 174.600 0.022 0.000 1.114 277 S CA -0.577 57.630 58.200 0.011 0.000 1.063 277 S CB 0.566 63.772 63.200 0.011 0.000 0.996 277 S HN 0.431 nan 8.310 nan 0.000 0.478 278 K N 3.376 123.794 120.400 0.030 0.000 2.316 278 K HA 0.372 4.895 4.320 0.338 0.000 0.267 278 K C 0.359 176.955 176.600 -0.007 0.000 1.025 278 K CA -0.552 55.743 56.287 0.014 0.000 0.896 278 K CB 1.446 33.968 32.500 0.037 0.000 1.124 278 K HN 0.678 nan 8.250 nan 0.000 0.451 279 G N 3.328 112.106 108.800 -0.036 0.000 2.370 279 G HA2 0.168 4.331 3.960 0.338 0.000 0.272 279 G HA3 0.168 4.331 3.960 0.338 0.000 0.272 279 G C -0.301 174.568 174.900 -0.051 0.000 1.208 279 G CA -0.447 44.630 45.100 -0.039 0.000 0.856 279 G HN 0.307 nan 8.290 nan 0.000 0.500 280 K N 1.705 122.092 120.400 -0.022 0.000 2.207 280 K HA 0.229 4.752 4.320 0.338 0.000 0.255 280 K C 0.293 176.903 176.600 0.017 0.000 0.941 280 K CA -1.147 55.134 56.287 -0.009 0.000 0.825 280 K CB 1.547 34.044 32.500 -0.005 0.000 1.119 280 K HN 0.619 nan 8.250 nan 0.000 0.430 281 N N 2.018 120.732 118.700 0.022 0.000 2.678 281 N HA -0.204 4.739 4.740 0.338 0.000 0.268 281 N C 0.116 175.670 175.510 0.072 0.000 1.010 281 N CA 0.200 53.277 53.050 0.045 0.000 0.784 281 N CB -0.921 37.595 38.487 0.048 0.000 0.905 281 N HN 0.637 nan 8.380 nan 0.000 0.552 282 L N -0.246 121.029 121.223 0.087 0.000 2.217 282 L HA 0.141 4.684 4.340 0.338 0.000 0.211 282 L C 1.706 178.684 176.870 0.179 0.000 1.107 282 L CA 0.833 55.757 54.840 0.141 0.000 0.783 282 L CB -0.750 41.403 42.059 0.156 0.000 0.919 282 L HN 0.715 nan 8.230 nan 0.000 0.442 283 G N -0.597 108.298 108.800 0.158 0.000 2.603 283 G HA2 -0.210 3.953 3.960 0.338 0.000 0.686 283 G HA3 -0.210 3.953 3.960 0.338 0.000 0.686 283 G C 0.171 175.155 174.900 0.140 0.000 1.286 283 G CA -0.208 44.969 45.100 0.129 0.000 0.871 283 G HN 0.251 nan 8.290 nan 0.000 0.568 284 R N -0.962 119.569 120.500 0.053 0.000 3.651 284 R HA -0.099 4.444 4.340 0.338 0.000 0.292 284 R C 1.571 177.717 176.300 -0.258 0.000 1.161 284 R CA 2.335 58.413 56.100 -0.037 0.000 0.787 284 R CB -1.521 28.822 30.300 0.071 0.000 1.249 284 R HN 2.928 nan 8.270 nan 0.000 0.476 285 G N -1.885 106.816 108.800 -0.165 0.000 2.162 285 G HA2 -0.371 3.792 3.960 0.338 0.000 0.260 285 G HA3 -0.371 3.792 3.960 0.338 0.000 0.260 285 G C 0.156 174.930 174.900 -0.209 0.000 0.976 285 G CA 0.567 45.544 45.100 -0.204 0.000 0.655 285 G HN 0.434 nan 8.290 nan 0.000 0.533 286 Y N 0.200 120.528 120.300 0.048 0.000 2.476 286 Y HA 0.186 4.940 4.550 0.339 0.000 0.283 286 Y C 1.994 177.863 175.900 -0.052 0.000 1.109 286 Y CA 0.076 58.189 58.100 0.021 0.000 1.246 286 Y CB 0.134 38.639 38.460 0.075 0.000 1.068 286 Y HN 0.313 nan 8.280 nan 0.000 0.552 287 D N -0.318 120.149 120.400 0.112 0.000 3.996 287 D HA -0.252 4.591 4.640 0.338 0.000 0.140 287 D C -0.699 175.596 176.300 -0.008 0.000 0.829 287 D CA 1.744 55.769 54.000 0.040 0.000 1.111 287 D CB -1.090 39.723 40.800 0.022 0.000 0.516 287 D HN 0.161 nan 8.370 nan 0.000 0.517 288 D N 2.470 122.844 120.400 -0.043 0.000 2.233 288 D HA 0.523 5.366 4.640 0.338 0.000 0.240 288 D C -0.058 176.134 176.300 -0.181 0.000 1.074 288 D CA 0.172 54.119 54.000 -0.089 0.000 0.838 288 D CB 1.150 41.919 40.800 -0.050 0.000 1.124 288 D HN 0.114 nan 8.370 nan 0.000 0.475 289 E N 1.068 121.083 120.200 -0.307 0.000 2.356 289 E HA 0.214 4.767 4.350 0.338 0.000 0.275 289 E C -1.075 175.338 176.600 -0.311 0.000 0.904 289 E CA -0.764 55.352 56.400 -0.474 0.000 0.757 289 E CB 2.257 31.195 29.700 -1.269 0.000 1.232 289 E HN 0.252 nan 8.360 nan 0.000 0.442 290 D N 2.064 122.363 120.400 -0.168 0.000 2.383 290 D HA 0.140 4.983 4.640 0.338 0.000 0.252 290 D C 1.129 177.468 176.300 0.065 0.000 1.166 290 D CA 0.154 54.133 54.000 -0.034 0.000 0.879 290 D CB 1.107 41.916 40.800 0.015 0.000 1.164 290 D HN 0.382 nan 8.370 nan 0.000 0.462 291 I N 1.565 122.189 120.570 0.089 0.000 3.035 291 I HA 0.019 4.392 4.170 0.338 0.000 0.271 291 I C 0.559 176.734 176.117 0.096 0.000 1.190 291 I CA 0.411 61.813 61.300 0.171 0.000 1.472 291 I CB 0.257 38.330 38.000 0.122 0.000 1.116 291 I HN 0.165 nan 8.210 nan 0.000 0.443 292 L N 0.352 121.606 121.223 0.052 0.000 2.545 292 L HA 0.474 5.017 4.340 0.338 0.000 0.258 292 L C -1.219 175.639 176.870 -0.020 0.000 0.942 292 L CA -0.350 54.508 54.840 0.031 0.000 0.855 292 L CB 1.768 43.832 42.059 0.009 0.000 1.374 292 L HN -0.074 nan 8.230 nan 0.000 0.411 293 K N 3.956 124.352 120.400 -0.007 0.000 2.636 293 K HA 0.480 5.003 4.320 0.338 0.000 0.286 293 K C -2.270 174.333 176.600 0.004 0.000 1.100 293 K CA -0.545 55.691 56.287 -0.086 0.000 0.991 293 K CB 0.924 33.432 32.500 0.014 0.000 1.323 293 K HN 0.616 nan 8.250 nan 0.000 0.478 294 Y N -0.318 119.853 120.300 -0.216 0.000 2.592 294 Y HA 0.632 5.384 4.550 0.338 0.000 0.334 294 Y C -1.698 174.136 175.900 -0.110 0.000 1.136 294 Y CA -1.206 56.809 58.100 -0.141 0.000 1.042 294 Y CB 0.969 39.329 38.460 -0.167 0.000 1.325 294 Y HN -0.031 nan 8.280 nan 0.000 0.457 295 V N 2.620 122.665 119.914 0.219 0.000 2.532 295 V HA 0.377 4.700 4.120 0.338 0.000 0.295 295 V C -0.805 175.417 176.094 0.213 0.000 1.041 295 V CA -0.528 61.896 62.300 0.207 0.000 0.926 295 V CB 1.565 33.486 31.823 0.163 0.000 0.992 295 V HN 0.877 nan 8.190 nan 0.000 0.457 296 D N 2.744 123.269 120.400 0.208 0.000 2.629 296 D HA 0.525 5.368 4.640 0.338 0.000 0.250 296 D C -1.525 174.872 176.300 0.162 0.000 1.126 296 D CA -0.144 53.984 54.000 0.214 0.000 0.852 296 D CB 2.364 43.365 40.800 0.335 0.000 1.335 296 D HN 0.300 nan 8.370 nan 0.000 0.518 297 V N 2.524 122.529 119.914 0.153 0.000 2.540 297 V HA 0.873 5.196 4.120 0.338 0.000 0.302 297 V C 0.697 176.927 176.094 0.227 0.000 1.035 297 V CA -0.486 61.919 62.300 0.175 0.000 0.873 297 V CB 1.517 33.440 31.823 0.166 0.000 0.992 297 V HN 0.702 nan 8.190 nan 0.000 0.428 298 G N 2.483 111.398 108.800 0.191 0.000 2.600 298 G HA2 0.884 5.047 3.960 0.338 0.000 0.293 298 G HA3 0.884 5.047 3.960 0.338 0.000 0.293 298 G C -1.587 173.405 174.900 0.154 0.000 1.408 298 G CA -0.116 45.093 45.100 0.183 0.000 0.782 298 G HN 1.230 nan 8.290 nan 0.000 0.482 299 A N -0.427 122.481 122.820 0.148 0.000 2.517 299 A HA 0.832 5.355 4.320 0.338 0.000 0.297 299 A C -0.630 177.024 177.584 0.118 0.000 1.050 299 A CA -0.444 51.675 52.037 0.136 0.000 0.694 299 A CB 1.713 20.803 19.000 0.150 0.000 1.277 299 A HN 0.980 nan 8.150 nan 0.000 0.400 300 T N 1.702 116.285 114.554 0.047 0.000 2.807 300 T HA 0.525 5.078 4.350 0.338 0.000 0.279 300 T C -1.323 173.292 174.700 -0.141 0.000 0.993 300 T CA -0.051 61.995 62.100 -0.090 0.000 0.970 300 T CB 0.851 69.525 68.868 -0.323 0.000 0.950 300 T HN 0.529 nan 8.240 nan 0.000 0.441 301 Y N 2.967 123.088 120.300 -0.298 0.000 2.331 301 Y HA 0.491 5.244 4.550 0.338 0.000 0.338 301 Y C -1.408 174.193 175.900 -0.499 0.000 0.976 301 Y CA -1.419 56.483 58.100 -0.330 0.000 1.137 301 Y CB 0.605 38.875 38.460 -0.317 0.000 1.172 301 Y HN 0.608 nan 8.280 nan 0.000 0.478 302 Y N 7.487 127.319 120.300 -0.779 0.000 2.518 302 Y HA 0.198 4.950 4.550 0.337 0.000 0.344 302 Y C 0.330 175.815 175.900 -0.692 0.000 0.982 302 Y CA -0.465 57.322 58.100 -0.523 0.000 1.234 302 Y CB 0.137 38.408 38.460 -0.314 0.000 1.114 302 Y HN 0.693 nan 8.280 nan 0.000 0.515 303 F N 1.125 120.981 119.950 -0.157 0.000 2.134 303 F HA -0.194 4.536 4.527 0.338 0.000 0.299 303 F C 0.979 176.783 175.800 0.006 0.000 1.097 303 F CA 1.177 59.165 58.000 -0.020 0.000 1.264 303 F CB -0.125 38.953 39.000 0.130 0.000 1.001 303 F HN 0.569 nan 8.300 nan 0.000 0.479 304 N N -2.123 116.702 118.700 0.209 0.000 3.496 304 N HA 0.074 5.017 4.740 0.338 0.000 0.331 304 N C -0.161 175.403 175.510 0.091 0.000 1.532 304 N CA -0.737 52.381 53.050 0.113 0.000 0.863 304 N CB 0.260 38.818 38.487 0.117 0.000 1.927 304 N HN -0.228 nan 8.380 nan 0.000 0.529 305 K N -0.645 119.777 120.400 0.037 0.000 2.365 305 K HA 0.156 4.679 4.320 0.338 0.000 0.199 305 K C 0.264 176.870 176.600 0.010 0.000 1.045 305 K CA 1.249 57.535 56.287 -0.002 0.000 0.962 305 K CB -0.345 32.138 32.500 -0.029 0.000 0.759 305 K HN 0.447 nan 8.250 nan 0.000 0.469 306 N N -0.829 117.890 118.700 0.031 0.000 2.197 306 N HA 0.091 5.034 4.740 0.338 0.000 0.201 306 N C -0.649 174.855 175.510 -0.010 0.000 1.148 306 N CA -0.058 52.959 53.050 -0.055 0.000 0.883 306 N CB 0.630 39.096 38.487 -0.034 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.835 120.524 119.600 0.149 0.000 2.324 307 M HA 0.423 5.106 4.480 0.338 0.000 0.288 307 M C -1.695 174.841 176.300 0.392 0.000 1.097 307 M CA -0.633 54.821 55.300 0.256 0.000 0.928 307 M CB 1.806 34.547 32.600 0.235 0.000 1.648 307 M HN 0.049 nan 8.290 nan 0.000 0.460 308 S N 1.546 117.451 115.700 0.343 0.000 2.570 308 S HA 0.905 5.578 4.470 0.338 0.000 0.270 308 S C -1.000 173.725 174.600 0.209 0.000 1.149 308 S CA -0.780 57.541 58.200 0.202 0.000 0.837 308 S CB 2.030 65.184 63.200 -0.075 0.000 1.124 308 S HN 0.787 nan 8.310 nan 0.000 0.465 309 T N 1.091 115.705 114.554 0.100 0.000 2.909 309 T HA 0.774 5.327 4.350 0.338 0.000 0.299 309 T C -2.058 172.670 174.700 0.047 0.000 1.073 309 T CA -0.530 61.607 62.100 0.062 0.000 0.999 309 T CB 1.088 70.059 68.868 0.171 0.000 1.098 309 T HN 1.191 nan 8.240 nan 0.000 0.477 310 Y N 0.867 121.172 120.300 0.008 0.000 2.609 310 Y HA 0.808 5.560 4.550 0.336 0.000 0.336 310 Y C -1.785 174.138 175.900 0.039 0.000 1.129 310 Y CA -1.389 56.708 58.100 -0.005 0.000 1.040 310 Y CB 0.813 39.243 38.460 -0.049 0.000 1.310 310 Y HN 0.480 nan 8.280 nan 0.000 0.460 311 V N 2.349 122.456 119.914 0.321 0.000 2.604 311 V HA 0.625 4.948 4.120 0.338 0.000 0.305 311 V C -1.698 174.581 176.094 0.308 0.000 1.043 311 V CA -0.259 62.207 62.300 0.276 0.000 0.888 311 V CB 1.654 33.572 31.823 0.159 0.000 0.995 311 V HN 0.907 nan 8.190 nan 0.000 0.429 312 D N 4.519 125.105 120.400 0.310 0.000 2.629 312 D HA 0.318 5.161 4.640 0.338 0.000 0.250 312 D C -1.890 174.695 176.300 0.475 0.000 1.126 312 D CA -0.131 54.045 54.000 0.292 0.000 0.852 312 D CB 1.652 42.490 40.800 0.063 0.000 1.335 312 D HN 0.490 nan 8.370 nan 0.000 0.518 313 Y N 3.437 123.895 120.300 0.264 0.000 2.388 313 Y HA 0.306 5.058 4.550 0.338 0.000 0.328 313 Y C -0.626 175.328 175.900 0.091 0.000 0.963 313 Y CA -1.201 57.005 58.100 0.177 0.000 1.240 313 Y CB 0.833 39.363 38.460 0.117 0.000 1.118 313 Y HN 0.225 nan 8.280 nan 0.000 0.484 314 K N 8.019 128.419 120.400 0.001 0.000 2.263 314 K HA 0.391 4.914 4.320 0.338 0.000 0.282 314 K C -0.961 175.388 176.600 -0.418 0.000 1.089 314 K CA -0.298 55.724 56.287 -0.440 0.000 0.907 314 K CB 0.141 31.935 32.500 -1.176 0.000 1.148 314 K HN 0.746 nan 8.250 nan 0.000 0.470 315 I N 4.454 124.785 120.570 -0.398 0.000 2.281 315 I HA 0.036 4.409 4.170 0.338 0.000 0.293 315 I C 0.221 176.267 176.117 -0.119 0.000 1.085 315 I CA -0.606 60.487 61.300 -0.344 0.000 1.257 315 I CB 0.368 38.155 38.000 -0.356 0.000 1.430 315 I HN 0.512 nan 8.210 nan 0.000 0.489 316 N N 6.921 125.550 118.700 -0.117 0.000 2.411 316 N HA 0.199 5.142 4.740 0.338 0.000 0.259 316 N C 0.385 175.899 175.510 0.008 0.000 1.103 316 N CA 0.002 53.020 53.050 -0.053 0.000 0.954 316 N CB 1.263 39.687 38.487 -0.106 0.000 1.085 316 N HN 0.568 nan 8.380 nan 0.000 0.485 317 L N 3.317 124.574 121.223 0.058 0.000 2.607 317 L HA 0.237 4.780 4.340 0.338 0.000 0.228 317 L C 0.642 177.546 176.870 0.056 0.000 1.123 317 L CA -0.044 54.834 54.840 0.062 0.000 0.890 317 L CB 0.016 42.136 42.059 0.101 0.000 1.103 317 L HN 0.353 nan 8.230 nan 0.000 0.468 318 L N 0.520 121.772 121.223 0.049 0.000 2.456 318 L HA 0.083 4.626 4.340 0.338 0.000 0.272 318 L C -0.037 176.858 176.870 0.041 0.000 1.189 318 L CA 0.007 54.877 54.840 0.050 0.000 0.846 318 L CB 0.332 42.421 42.059 0.050 0.000 1.111 318 L HN 0.044 nan 8.230 nan 0.000 0.475 319 D N 1.303 121.733 120.400 0.049 0.000 2.210 319 D HA 0.069 4.912 4.640 0.338 0.000 0.249 319 D C -0.460 175.869 176.300 0.048 0.000 1.062 319 D CA -0.287 53.739 54.000 0.044 0.000 0.891 319 D CB 1.554 42.381 40.800 0.045 0.000 1.186 319 D HN 0.398 nan 8.370 nan 0.000 0.432 320 D N 1.479 121.900 120.400 0.036 0.000 2.346 320 D HA 0.075 4.918 4.640 0.338 0.000 0.260 320 D C -0.345 175.983 176.300 0.047 0.000 1.252 320 D CA -0.028 53.992 54.000 0.032 0.000 0.895 320 D CB 0.051 40.863 40.800 0.020 0.000 1.097 320 D HN 0.353 nan 8.370 nan 0.000 0.489 321 N N 1.687 120.425 118.700 0.064 0.000 3.204 321 N HA 0.210 5.153 4.740 0.338 0.000 0.285 321 N C 0.632 176.204 175.510 0.103 0.000 1.536 321 N CA -0.871 52.232 53.050 0.088 0.000 0.832 321 N CB 0.672 39.225 38.487 0.111 0.000 1.645 321 N HN 0.183 nan 8.380 nan 0.000 0.586 322 R N -0.890 119.697 120.500 0.145 0.000 2.083 322 R HA -0.116 4.427 4.340 0.338 0.000 0.237 322 R C 1.679 178.100 176.300 0.202 0.000 1.137 322 R CA 1.632 57.839 56.100 0.178 0.000 0.951 322 R CB -0.561 29.880 30.300 0.235 0.000 0.851 322 R HN 0.560 nan 8.270 nan 0.000 0.434 323 F N 1.489 121.475 119.950 0.060 0.000 2.102 323 F HA -0.219 4.512 4.527 0.339 0.000 0.298 323 F C 2.419 178.102 175.800 -0.194 0.000 1.105 323 F CA 2.292 60.157 58.000 -0.224 0.000 1.239 323 F CB -0.704 38.104 39.000 -0.320 0.000 0.991 323 F HN 0.145 nan 8.300 nan 0.000 0.474 324 T N -1.530 112.926 114.554 -0.164 0.000 2.867 324 T HA -0.101 4.452 4.350 0.338 0.000 0.268 324 T C 2.092 176.652 174.700 -0.234 0.000 1.057 324 T CA 1.127 63.067 62.100 -0.267 0.000 1.136 324 T CB -0.522 68.319 68.868 -0.044 0.000 0.874 324 T HN 0.342 nan 8.240 nan 0.000 0.466 325 R N 1.037 121.460 120.500 -0.129 0.000 2.062 325 R HA -0.009 4.534 4.340 0.338 0.000 0.229 325 R C 2.286 178.517 176.300 -0.115 0.000 1.128 325 R CA 1.571 57.617 56.100 -0.090 0.000 0.960 325 R CB -0.363 29.921 30.300 -0.027 0.000 0.855 325 R HN 0.376 nan 8.270 nan 0.000 0.432 326 D N 0.705 121.036 120.400 -0.115 0.000 2.117 326 D HA -0.121 4.722 4.640 0.338 0.000 0.197 326 D C 1.685 177.860 176.300 -0.209 0.000 0.987 326 D CA 1.570 55.512 54.000 -0.097 0.000 0.829 326 D CB -0.174 40.645 40.800 0.031 0.000 0.961 326 D HN 0.237 nan 8.370 nan 0.000 0.460 327 A N -0.333 122.236 122.820 -0.418 0.000 2.119 327 A HA 0.293 4.816 4.320 0.338 0.000 0.217 327 A C 1.820 179.215 177.584 -0.316 0.000 1.153 327 A CA 1.401 53.158 52.037 -0.466 0.000 0.692 327 A CB -0.419 18.079 19.000 -0.836 0.000 0.799 327 A HN 0.303 nan 8.150 nan 0.000 0.458 328 G N -0.929 107.721 108.800 -0.251 0.000 2.176 328 G HA2 -0.229 3.934 3.960 0.338 0.000 0.252 328 G HA3 -0.229 3.934 3.960 0.338 0.000 0.252 328 G C 0.027 174.819 174.900 -0.180 0.000 1.024 328 G CA 0.336 45.328 45.100 -0.181 0.000 0.755 328 G HN 0.494 nan 8.290 nan 0.000 0.507 329 I N 0.416 120.862 120.570 -0.206 0.000 2.428 329 I HA 0.179 4.552 4.170 0.338 0.000 0.289 329 I C 0.724 176.776 176.117 -0.108 0.000 1.019 329 I CA -0.871 60.332 61.300 -0.161 0.000 1.351 329 I CB 1.037 38.937 38.000 -0.168 0.000 1.412 329 I HN 0.197 nan 8.210 nan 0.000 0.513 330 N N 3.566 122.211 118.700 -0.091 0.000 2.475 330 N HA 0.014 4.957 4.740 0.338 0.000 0.267 330 N C 0.719 176.191 175.510 -0.064 0.000 1.169 330 N CA 0.133 53.138 53.050 -0.075 0.000 0.947 330 N CB 0.781 39.219 38.487 -0.083 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.079 113.446 114.554 -0.047 0.000 3.044 331 T HA 0.199 4.752 4.350 0.338 0.000 0.260 331 T C -0.035 174.644 174.700 -0.035 0.000 1.019 331 T CA -0.309 61.773 62.100 -0.030 0.000 0.921 331 T CB -0.066 68.798 68.868 -0.008 0.000 1.053 331 T HN 0.351 nan 8.240 nan 0.000 0.533 332 D N 2.347 122.719 120.400 -0.047 0.000 2.294 332 D HA 0.290 5.133 4.640 0.338 0.000 0.250 332 D C -0.603 175.650 176.300 -0.077 0.000 1.058 332 D CA -0.363 53.614 54.000 -0.037 0.000 0.950 332 D CB 1.180 41.971 40.800 -0.016 0.000 1.158 332 D HN 0.251 nan 8.370 nan 0.000 0.453 333 D N 0.502 120.881 120.400 -0.036 0.000 2.362 333 D HA 0.332 5.175 4.640 0.338 0.000 0.242 333 D C 0.091 176.370 176.300 -0.035 0.000 1.132 333 D CA 0.217 54.198 54.000 -0.031 0.000 0.907 333 D CB 1.020 41.899 40.800 0.131 0.000 1.195 333 D HN 0.209 nan 8.370 nan 0.000 0.429 334 I N 0.410 120.917 120.570 -0.106 0.000 2.619 334 I HA 0.275 4.648 4.170 0.338 0.000 0.292 334 I C -0.730 175.458 176.117 0.118 0.000 1.100 334 I CA -1.084 60.170 61.300 -0.077 0.000 1.043 334 I CB 2.178 39.981 38.000 -0.329 0.000 1.239 334 I HN -0.094 nan 8.210 nan 0.000 0.420 335 V N 4.131 124.177 119.914 0.219 0.000 2.459 335 V HA 0.772 5.095 4.120 0.338 0.000 0.295 335 V C 0.147 176.434 176.094 0.322 0.000 1.029 335 V CA -0.510 61.965 62.300 0.292 0.000 0.874 335 V CB 1.596 33.503 31.823 0.140 0.000 0.985 335 V HN 0.844 nan 8.190 nan 0.000 0.438 336 A N 4.887 127.874 122.820 0.278 0.000 2.331 336 A HA 0.894 5.417 4.320 0.338 0.000 0.320 336 A C -1.251 176.487 177.584 0.256 0.000 1.138 336 A CA -0.523 51.619 52.037 0.175 0.000 0.790 336 A CB 1.322 20.258 19.000 -0.107 0.000 1.206 336 A HN 0.779 nan 8.150 nan 0.000 0.470 337 L N 2.341 123.702 121.223 0.230 0.000 2.376 337 L HA 0.818 5.361 4.340 0.338 0.000 0.275 337 L C 0.078 176.882 176.870 -0.109 0.000 0.987 337 L CA 0.069 54.969 54.840 0.101 0.000 0.828 337 L CB 1.691 43.911 42.059 0.267 0.000 1.249 337 L HN 0.865 nan 8.230 nan 0.000 0.409 338 G N 4.144 112.634 108.800 -0.516 0.000 2.571 338 G HA2 0.633 4.796 3.960 0.338 0.000 0.304 338 G HA3 0.633 4.796 3.960 0.338 0.000 0.304 338 G C -2.359 172.249 174.900 -0.487 0.000 1.314 338 G CA -0.535 44.155 45.100 -0.682 0.000 0.975 338 G HN 0.562 nan 8.290 nan 0.000 0.485 339 L N 1.813 122.898 121.223 -0.231 0.000 2.406 339 L HA 0.735 5.278 4.340 0.338 0.000 0.272 339 L C -1.035 175.821 176.870 -0.024 0.000 0.980 339 L CA -0.729 54.070 54.840 -0.068 0.000 0.831 339 L CB 2.211 44.262 42.059 -0.013 0.000 1.253 339 L HN 0.339 nan 8.230 nan 0.000 0.406 340 V N 5.310 125.254 119.914 0.051 0.000 2.482 340 V HA 0.337 4.660 4.120 0.338 0.000 0.295 340 V C -1.181 174.996 176.094 0.138 0.000 1.026 340 V CA -0.666 61.677 62.300 0.071 0.000 0.856 340 V CB 1.372 33.251 31.823 0.094 0.000 1.001 340 V HN 0.637 nan 8.190 nan 0.000 0.424 341 Y N 5.679 126.002 120.300 0.038 0.000 2.328 341 Y HA 0.673 5.423 4.550 0.335 0.000 0.337 341 Y C 0.121 176.082 175.900 0.101 0.000 1.008 341 Y CA -0.311 57.834 58.100 0.075 0.000 1.129 341 Y CB 1.286 39.786 38.460 0.066 0.000 1.185 341 Y HN 0.749 nan 8.280 nan 0.000 0.476 342 Q N 6.099 125.505 119.800 -0.658 0.000 2.456 342 Q HA 0.629 5.172 4.340 0.338 0.000 0.283 342 Q C -1.788 173.887 176.000 -0.542 0.000 1.084 342 Q CA -0.925 54.589 55.803 -0.482 0.000 0.801 342 Q CB 2.813 31.410 28.738 -0.233 0.000 1.434 342 Q HN 0.645 nan 8.270 nan 0.000 0.419 343 F N 0.000 119.773 119.950 -0.294 0.000 2.286 343 F HA 0.000 4.725 4.527 0.330 0.000 0.279 343 F CA 0.000 57.930 58.000 -0.117 0.000 1.383 343 F CB 0.000 39.011 39.000 0.019 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574