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_A 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 52.182 52.037 0.242 0.000 0.836 1 A CB 0.000 19.182 19.000 0.304 0.000 0.831 2 E N 1.942 122.231 120.200 0.148 0.000 2.166 2 E HA 0.358 4.900 4.350 0.320 0.000 0.279 2 E C 0.630 177.310 176.600 0.133 0.000 1.095 2 E CA 0.038 56.519 56.400 0.135 0.000 0.888 2 E CB 0.113 29.867 29.700 0.089 0.000 1.041 2 E HN 0.656 nan 8.360 nan 0.000 0.414 3 I N 2.329 122.998 120.570 0.164 0.000 4.018 3 I HA 0.328 4.690 4.170 0.320 0.000 0.337 3 I C -0.653 175.591 176.117 0.211 0.000 1.327 3 I CA -0.459 60.934 61.300 0.156 0.000 1.100 3 I CB 0.375 38.464 38.000 0.148 0.000 1.025 3 I HN 0.335 nan 8.210 nan 0.000 0.396 4 Y N 1.722 122.047 120.300 0.042 0.000 2.390 4 Y HA 0.551 5.295 4.550 0.323 0.000 0.324 4 Y C -1.834 174.084 175.900 0.029 0.000 1.151 4 Y CA -1.132 56.983 58.100 0.025 0.000 1.053 4 Y CB 1.313 39.780 38.460 0.011 0.000 1.277 4 Y HN 0.108 nan 8.280 nan 0.000 0.432 5 N N 5.587 124.020 118.700 -0.445 0.000 2.655 5 N HA 0.323 5.255 4.740 0.320 0.000 0.277 5 N C -2.150 173.097 175.510 -0.438 0.000 1.177 5 N CA -0.407 52.461 53.050 -0.303 0.000 0.882 5 N CB 1.445 39.864 38.487 -0.115 0.000 1.481 5 N HN 0.786 nan 8.380 nan 0.000 0.547 6 K N 2.112 122.245 120.400 -0.446 0.000 2.583 6 K HA 0.223 4.735 4.320 0.320 0.000 0.260 6 K C -1.262 175.268 176.600 -0.116 0.000 0.931 6 K CA -0.364 55.716 56.287 -0.346 0.000 0.849 6 K CB 0.769 32.913 32.500 -0.594 0.000 1.347 6 K HN 0.311 nan 8.250 nan 0.000 0.425 7 D N 2.924 123.293 120.400 -0.052 0.000 2.692 7 D HA -0.211 4.621 4.640 0.320 0.000 0.233 7 D C 0.685 177.006 176.300 0.035 0.000 1.172 7 D CA 2.253 56.258 54.000 0.007 0.000 0.636 7 D CB -1.066 39.755 40.800 0.034 0.000 1.028 7 D HN 1.061 nan 8.370 nan 0.000 0.419 8 G N -0.629 108.187 108.800 0.026 0.000 2.176 8 G HA2 -0.361 3.791 3.960 0.320 0.000 0.253 8 G HA3 -0.361 3.791 3.960 0.320 0.000 0.253 8 G C 0.197 175.143 174.900 0.076 0.000 0.979 8 G CA 0.350 45.478 45.100 0.047 0.000 0.641 8 G HN 0.643 nan 8.290 nan 0.000 0.530 9 N N 0.390 119.153 118.700 0.104 0.000 2.269 9 N HA 0.641 5.573 4.740 0.320 0.000 0.304 9 N C -0.429 175.188 175.510 0.179 0.000 1.072 9 N CA -0.475 52.673 53.050 0.164 0.000 0.802 9 N CB 1.057 39.681 38.487 0.228 0.000 1.348 9 N HN 0.580 nan 8.380 nan 0.000 0.484 10 K N 1.455 121.962 120.400 0.178 0.000 2.435 10 K HA 0.715 5.227 4.320 0.320 0.000 0.251 10 K C -1.820 174.908 176.600 0.214 0.000 0.954 10 K CA -0.957 55.443 56.287 0.187 0.000 0.820 10 K CB 1.950 34.510 32.500 0.099 0.000 1.292 10 K HN 0.335 nan 8.250 nan 0.000 0.436 11 L N 1.674 123.037 121.223 0.234 0.000 2.476 11 L HA 0.392 4.924 4.340 0.320 0.000 0.269 11 L C -1.904 175.093 176.870 0.212 0.000 0.965 11 L CA -0.184 54.777 54.840 0.203 0.000 0.845 11 L CB 1.954 44.092 42.059 0.132 0.000 1.259 11 L HN 0.848 nan 8.230 nan 0.000 0.403 12 D N 4.463 125.010 120.400 0.245 0.000 2.349 12 D HA 0.298 5.130 4.640 0.320 0.000 0.232 12 D C -1.276 175.238 176.300 0.357 0.000 1.071 12 D CA -0.257 53.905 54.000 0.270 0.000 0.832 12 D CB 1.420 42.361 40.800 0.234 0.000 1.086 12 D HN 0.492 nan 8.370 nan 0.000 0.504 13 L N 6.634 128.051 121.223 0.323 0.000 2.257 13 L HA 0.407 4.939 4.340 0.320 0.000 0.290 13 L C -1.346 175.745 176.870 0.368 0.000 1.044 13 L CA -0.434 54.603 54.840 0.328 0.000 0.810 13 L CB 0.184 42.427 42.059 0.307 0.000 1.193 13 L HN 0.334 nan 8.230 nan 0.000 0.425 14 Y N 2.982 123.330 120.300 0.079 0.000 2.602 14 Y HA 1.023 5.773 4.550 0.332 0.000 0.342 14 Y C -0.057 175.464 175.900 -0.632 0.000 1.029 14 Y CA -0.759 57.137 58.100 -0.340 0.000 1.080 14 Y CB 1.676 40.007 38.460 -0.215 0.000 1.284 14 Y HN 0.798 nan 8.280 nan 0.000 0.485 15 G N 1.017 109.210 108.800 -1.012 0.000 2.338 15 G HA2 0.506 4.658 3.960 0.320 0.000 0.295 15 G HA3 0.506 4.658 3.960 0.320 0.000 0.295 15 G C -2.341 172.241 174.900 -0.530 0.000 1.461 15 G CA -1.063 43.604 45.100 -0.721 0.000 0.817 15 G HN 1.054 nan 8.290 nan 0.000 0.556 16 K N -1.487 118.826 120.400 -0.144 0.000 2.556 16 K HA 0.770 5.282 4.320 0.320 0.000 0.274 16 K C -1.655 174.952 176.600 0.013 0.000 0.966 16 K CA -1.026 55.241 56.287 -0.033 0.000 0.865 16 K CB 2.282 34.736 32.500 -0.076 0.000 1.444 16 K HN 0.592 nan 8.250 nan 0.000 0.433 17 V N 0.883 120.831 119.914 0.057 0.000 2.444 17 V HA 0.358 4.670 4.120 0.320 0.000 0.294 17 V C -0.873 175.152 176.094 -0.115 0.000 1.022 17 V CA -0.602 61.677 62.300 -0.035 0.000 0.850 17 V CB 1.221 33.079 31.823 0.057 0.000 0.992 17 V HN 0.909 nan 8.190 nan 0.000 0.426 18 E N 3.258 123.261 120.200 -0.328 0.000 2.101 18 E HA 0.539 5.081 4.350 0.320 0.000 0.260 18 E C 0.376 176.845 176.600 -0.219 0.000 0.897 18 E CA -0.422 55.786 56.400 -0.320 0.000 0.744 18 E CB 1.165 30.495 29.700 -0.616 0.000 1.140 18 E HN 0.895 nan 8.360 nan 0.000 0.419 19 G N 4.234 112.968 108.800 -0.109 0.000 2.367 19 G HA2 0.375 4.527 3.960 0.320 0.000 0.280 19 G HA3 0.375 4.527 3.960 0.320 0.000 0.280 19 G C -0.952 173.913 174.900 -0.058 0.000 1.175 19 G CA -0.162 44.900 45.100 -0.064 0.000 1.001 19 G HN 0.388 nan 8.290 nan 0.000 0.437 20 L N 2.515 123.730 121.223 -0.013 0.000 2.436 20 L HA 0.656 5.188 4.340 0.320 0.000 0.268 20 L C -1.146 175.766 176.870 0.070 0.000 0.974 20 L CA -1.119 53.743 54.840 0.036 0.000 0.826 20 L CB 2.262 44.382 42.059 0.101 0.000 1.291 20 L HN 0.626 nan 8.230 nan 0.000 0.406 21 H N 3.166 122.230 119.070 -0.010 0.000 2.667 21 H HA 0.609 5.357 4.556 0.320 0.000 0.353 21 H C -1.645 173.668 175.328 -0.024 0.000 1.072 21 H CA -0.312 55.666 56.048 -0.117 0.000 1.214 21 H CB 1.218 30.815 29.762 -0.276 0.000 1.600 21 H HN 0.494 nan 8.280 nan 0.000 0.527 22 Y N 4.120 124.058 120.300 -0.603 0.000 2.342 22 Y HA 0.321 5.065 4.550 0.324 0.000 0.334 22 Y C -0.854 174.764 175.900 -0.470 0.000 1.067 22 Y CA -1.029 56.887 58.100 -0.307 0.000 1.128 22 Y CB 0.640 39.011 38.460 -0.148 0.000 1.200 22 Y HN 0.511 nan 8.280 nan 0.000 0.464 23 F N 1.486 121.559 119.950 0.205 0.000 2.449 23 F HA 0.587 5.307 4.527 0.323 0.000 0.342 23 F C 0.200 176.055 175.800 0.091 0.000 1.127 23 F CA -0.492 57.602 58.000 0.155 0.000 0.975 23 F CB 2.020 41.101 39.000 0.135 0.000 1.146 23 F HN 0.294 nan 8.300 nan 0.000 0.444 24 S N 1.276 117.117 115.700 0.234 0.000 2.547 24 S HA 0.271 4.933 4.470 0.320 0.000 0.270 24 S C -0.121 174.544 174.600 0.107 0.000 1.150 24 S CA -0.725 57.558 58.200 0.138 0.000 0.850 24 S CB 1.280 64.537 63.200 0.094 0.000 1.118 24 S HN 0.595 nan 8.310 nan 0.000 0.461 25 D N 1.487 121.932 120.400 0.076 0.000 2.269 25 D HA -0.010 4.822 4.640 0.320 0.000 0.208 25 D C 0.446 176.770 176.300 0.041 0.000 0.963 25 D CA 0.705 54.739 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 0.452 nan 8.370 nan 0.000 0.505 26 N N 1.918 120.638 118.700 0.033 0.000 2.405 26 N HA -0.055 4.877 4.740 0.320 0.000 0.260 26 N C 0.336 175.863 175.510 0.027 0.000 1.152 26 N CA 0.065 53.127 53.050 0.019 0.000 0.948 26 N CB 0.863 39.353 38.487 0.004 0.000 1.111 26 N HN -0.150 nan 8.380 nan 0.000 0.485 27 D N 1.215 121.626 120.400 0.020 0.000 2.218 27 D HA -0.147 4.685 4.640 0.320 0.000 0.204 27 D C 1.394 177.697 176.300 0.006 0.000 0.976 27 D CA 1.109 55.120 54.000 0.018 0.000 0.853 27 D CB 0.015 40.822 40.800 0.012 0.000 0.939 27 D HN 0.685 nan 8.370 nan 0.000 0.481 28 S N -0.340 115.360 115.700 -0.000 0.000 2.561 28 S HA 0.007 4.669 4.470 0.320 0.000 0.225 28 S C 1.364 175.965 174.600 0.002 0.000 0.977 28 S CA 0.380 58.573 58.200 -0.011 0.000 0.926 28 S CB 0.178 63.365 63.200 -0.022 0.000 0.769 28 S HN 0.001 nan 8.310 nan 0.000 0.533 29 K N 0.868 121.290 120.400 0.037 0.000 2.413 29 K HA 0.318 4.830 4.320 0.320 0.000 0.204 29 K C -0.864 175.824 176.600 0.147 0.000 1.041 29 K CA 0.013 56.372 56.287 0.120 0.000 1.082 29 K CB 0.394 32.975 32.500 0.135 0.000 0.871 29 K HN 0.432 nan 8.250 nan 0.000 0.535 30 D N 0.152 120.576 120.400 0.039 0.000 2.308 30 D HA 0.522 5.354 4.640 0.320 0.000 0.242 30 D C 0.250 176.467 176.300 -0.138 0.000 1.059 30 D CA 0.239 54.236 54.000 -0.004 0.000 0.830 30 D CB 1.091 41.916 40.800 0.041 0.000 1.161 30 D HN 0.259 nan 8.370 nan 0.000 0.494 31 G N 3.117 111.678 108.800 -0.399 0.000 2.318 31 G HA2 -0.025 4.127 3.960 0.320 0.000 0.367 31 G HA3 -0.025 4.127 3.960 0.320 0.000 0.367 31 G C -1.045 173.382 174.900 -0.788 0.000 1.260 31 G CA -0.719 44.026 45.100 -0.591 0.000 1.055 31 G HN 0.600 nan 8.290 nan 0.000 0.484 32 D N 0.390 120.559 120.400 -0.385 0.000 2.417 32 D HA 0.473 5.305 4.640 0.320 0.000 0.250 32 D C 0.833 176.997 176.300 -0.226 0.000 1.166 32 D CA 0.192 54.072 54.000 -0.200 0.000 0.881 32 D CB 0.709 41.488 40.800 -0.035 0.000 1.164 32 D HN 0.356 nan 8.370 nan 0.000 0.467 33 K N 2.407 122.683 120.400 -0.207 0.000 2.536 33 K HA 0.123 4.635 4.320 0.320 0.000 0.203 33 K C -0.205 176.401 176.600 0.011 0.000 1.063 33 K CA -0.299 55.869 56.287 -0.200 0.000 1.063 33 K CB 0.422 32.632 32.500 -0.483 0.000 0.843 33 K HN 0.404 nan 8.250 nan 0.000 0.521 34 T N 2.522 117.083 114.554 0.011 0.000 2.933 34 T HA 0.038 4.580 4.350 0.320 0.000 0.306 34 T C -0.069 174.697 174.700 0.111 0.000 1.045 34 T CA 0.806 62.922 62.100 0.026 0.000 1.143 34 T CB -0.146 68.718 68.868 -0.007 0.000 1.003 34 T HN 0.282 nan 8.240 nan 0.000 0.540 35 Y N 0.493 120.765 120.300 -0.047 0.000 2.670 35 Y HA 0.756 5.493 4.550 0.311 0.000 0.334 35 Y C -1.186 174.681 175.900 -0.056 0.000 1.185 35 Y CA -1.760 56.295 58.100 -0.075 0.000 1.053 35 Y CB 1.491 39.888 38.460 -0.105 0.000 1.298 35 Y HN 0.461 nan 8.280 nan 0.000 0.459 36 M N 2.746 122.372 119.600 0.045 0.000 2.464 36 M HA 0.590 5.262 4.480 0.320 0.000 0.308 36 M C -1.836 174.495 176.300 0.051 0.000 1.127 36 M CA -0.514 54.773 55.300 -0.021 0.000 0.913 36 M CB 2.458 35.058 32.600 0.000 0.000 1.689 36 M HN 1.066 nan 8.290 nan 0.000 0.445 37 R N 2.565 123.073 120.500 0.013 0.000 2.750 37 R HA 0.836 5.368 4.340 0.320 0.000 0.281 37 R C -1.844 174.397 176.300 -0.098 0.000 0.972 37 R CA -0.789 55.289 56.100 -0.037 0.000 0.912 37 R CB 2.554 32.875 30.300 0.034 0.000 1.187 37 R HN 0.613 nan 8.270 nan 0.000 0.464 38 L N 0.808 121.910 121.223 -0.202 0.000 2.513 38 L HA 0.795 5.327 4.340 0.320 0.000 0.261 38 L C -1.257 175.274 176.870 -0.565 0.000 0.945 38 L CA 0.007 54.690 54.840 -0.263 0.000 0.848 38 L CB 2.340 44.380 42.059 -0.030 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.520 110.798 108.800 -0.869 0.000 2.645 39 G HA2 0.660 4.812 3.960 0.320 0.000 0.292 39 G HA3 0.660 4.812 3.960 0.320 0.000 0.292 39 G C -1.941 172.640 174.900 -0.532 0.000 1.415 39 G CA -0.378 44.153 45.100 -0.948 0.000 0.785 39 G HN 0.885 nan 8.290 nan 0.000 0.483 40 F N -0.864 119.035 119.950 -0.085 0.000 2.576 40 F HA 0.893 5.606 4.527 0.311 0.000 0.313 40 F C -0.724 175.228 175.800 0.253 0.000 1.078 40 F CA -1.269 56.812 58.000 0.134 0.000 0.921 40 F CB 2.584 41.681 39.000 0.161 0.000 1.232 40 F HN 0.493 nan 8.300 nan 0.000 0.459 41 K N 2.561 123.309 120.400 0.580 0.000 2.507 41 K HA 0.649 5.161 4.320 0.320 0.000 0.252 41 K C -1.148 175.675 176.600 0.370 0.000 0.943 41 K CA -0.789 55.739 56.287 0.402 0.000 0.808 41 K CB 1.896 34.565 32.500 0.281 0.000 1.142 41 K HN 1.111 nan 8.250 nan 0.000 0.426 42 G N 2.679 111.694 108.800 0.358 0.000 2.566 42 G HA2 0.405 4.557 3.960 0.320 0.000 0.311 42 G HA3 0.405 4.557 3.960 0.320 0.000 0.311 42 G C -1.600 173.454 174.900 0.255 0.000 1.322 42 G CA -0.375 44.890 45.100 0.275 0.000 0.969 42 G HN 0.588 nan 8.290 nan 0.000 0.490 43 E N 0.579 120.902 120.200 0.205 0.000 2.263 43 E HA 0.536 5.078 4.350 0.320 0.000 0.268 43 E C -1.374 175.323 176.600 0.162 0.000 0.884 43 E CA -0.629 55.890 56.400 0.199 0.000 0.766 43 E CB 2.242 32.029 29.700 0.145 0.000 1.196 43 E HN 0.389 nan 8.360 nan 0.000 0.416 44 T N 3.370 118.022 114.554 0.164 0.000 2.824 44 T HA 0.231 4.773 4.350 0.320 0.000 0.282 44 T C -0.939 173.832 174.700 0.119 0.000 0.993 44 T CA -0.658 61.520 62.100 0.129 0.000 0.967 44 T CB 1.241 70.180 68.868 0.117 0.000 0.960 44 T HN 0.395 nan 8.240 nan 0.000 0.441 45 Q N 4.198 124.054 119.800 0.093 0.000 2.323 45 Q HA 0.230 4.762 4.340 0.320 0.000 0.257 45 Q C 0.935 176.984 176.000 0.082 0.000 1.022 45 Q CA -0.114 55.738 55.803 0.081 0.000 0.919 45 Q CB 1.692 30.465 28.738 0.057 0.000 1.220 45 Q HN 0.608 nan 8.270 nan 0.000 0.427 46 V N 2.123 122.095 119.914 0.096 0.000 2.341 46 V HA -0.040 4.272 4.120 0.320 0.000 0.240 46 V C 1.225 177.372 176.094 0.088 0.000 1.035 46 V CA 1.861 64.218 62.300 0.094 0.000 1.033 46 V CB 0.063 31.954 31.823 0.113 0.000 0.678 46 V HN 0.848 nan 8.190 nan 0.000 0.464 47 T N -3.577 111.038 114.554 0.101 0.000 2.773 47 T HA 0.270 4.812 4.350 0.320 0.000 0.278 47 T C 0.364 175.100 174.700 0.060 0.000 1.011 47 T CA -0.319 61.835 62.100 0.090 0.000 1.014 47 T CB 1.567 70.513 68.868 0.129 0.000 1.293 47 T HN 0.108 nan 8.240 nan 0.000 0.554 48 D N 0.075 120.498 120.400 0.039 0.000 2.263 48 D HA -0.051 4.781 4.640 0.320 0.000 0.208 48 D C 1.681 177.949 176.300 -0.055 0.000 0.971 48 D CA 1.250 55.250 54.000 -0.000 0.000 0.867 48 D CB 0.155 40.953 40.800 -0.003 0.000 0.929 48 D HN 0.613 nan 8.370 nan 0.000 0.492 49 Q N -0.748 118.999 119.800 -0.089 0.000 2.378 49 Q HA 0.156 4.688 4.340 0.320 0.000 0.229 49 Q C 0.057 175.898 176.000 -0.264 0.000 0.882 49 Q CA -0.194 55.404 55.803 -0.341 0.000 0.936 49 Q CB 1.134 29.432 28.738 -0.733 0.000 1.092 49 Q HN 0.044 nan 8.270 nan 0.000 0.535 50 L N 1.949 123.210 121.223 0.063 0.000 2.298 50 L HA 0.370 4.902 4.340 0.320 0.000 0.284 50 L C -0.495 176.474 176.870 0.165 0.000 1.013 50 L CA -0.146 54.841 54.840 0.244 0.000 0.824 50 L CB 1.488 43.776 42.059 0.381 0.000 1.221 50 L HN -0.013 nan 8.230 nan 0.000 0.418 51 T N 1.438 116.098 114.554 0.177 0.000 2.888 51 T HA 0.872 5.414 4.350 0.320 0.000 0.284 51 T C 0.094 174.946 174.700 0.253 0.000 1.017 51 T CA -0.449 61.763 62.100 0.187 0.000 1.022 51 T CB 1.637 70.603 68.868 0.164 0.000 1.013 51 T HN 0.795 nan 8.240 nan 0.000 0.465 52 G N 1.332 110.264 108.800 0.221 0.000 2.400 52 G HA2 0.681 4.833 3.960 0.320 0.000 0.333 52 G HA3 0.681 4.833 3.960 0.320 0.000 0.333 52 G C -1.435 173.634 174.900 0.282 0.000 1.143 52 G CA -1.096 44.118 45.100 0.190 0.000 0.914 52 G HN 1.001 nan 8.290 nan 0.000 0.480 53 Y N -1.278 119.114 120.300 0.152 0.000 2.638 53 Y HA 0.818 5.559 4.550 0.318 0.000 0.335 53 Y C -0.121 175.881 175.900 0.171 0.000 1.155 53 Y CA -1.364 56.832 58.100 0.159 0.000 1.046 53 Y CB 1.363 39.923 38.460 0.166 0.000 1.303 53 Y HN 0.958 nan 8.280 nan 0.000 0.460 54 G N 0.825 109.814 108.800 0.314 0.000 2.718 54 G HA2 0.537 4.689 3.960 0.320 0.000 0.295 54 G HA3 0.537 4.689 3.960 0.320 0.000 0.295 54 G C -2.489 172.455 174.900 0.073 0.000 1.421 54 G CA -0.970 44.224 45.100 0.157 0.000 0.902 54 G HN 0.889 nan 8.290 nan 0.000 0.501 55 Q N -0.313 119.266 119.800 -0.368 0.000 2.353 55 Q HA 0.561 5.093 4.340 0.320 0.000 0.275 55 Q C -2.376 173.260 176.000 -0.606 0.000 1.029 55 Q CA -0.929 54.569 55.803 -0.508 0.000 0.848 55 Q CB 2.842 31.244 28.738 -0.560 0.000 1.390 55 Q HN 0.670 nan 8.270 nan 0.000 0.401 56 W N 3.251 124.039 121.300 -0.852 0.000 3.097 56 W HA 0.564 5.369 4.660 0.242 0.000 0.335 56 W C -1.881 174.364 176.519 -0.457 0.000 1.114 56 W CA -0.243 56.675 57.345 -0.713 0.000 1.231 56 W CB 1.603 30.409 29.460 -1.091 0.000 1.388 56 W HN 0.715 nan 8.180 nan 0.000 0.485 57 E N 4.682 124.274 120.200 -1.013 0.000 2.308 57 E HA 0.373 4.915 4.350 0.320 0.000 0.275 57 E C -2.334 173.723 176.600 -0.904 0.000 0.890 57 E CA -0.779 55.102 56.400 -0.865 0.000 0.754 57 E CB 2.178 31.718 29.700 -0.268 0.000 1.207 57 E HN 0.411 nan 8.360 nan 0.000 0.426 58 Y N 2.026 121.707 120.300 -1.032 0.000 2.477 58 Y HA 0.337 4.927 4.550 0.066 0.000 0.347 58 Y C -1.197 174.383 175.900 -0.533 0.000 0.981 58 Y CA -0.591 57.048 58.100 -0.768 0.000 1.033 58 Y CB 2.178 40.138 38.460 -0.834 0.000 1.245 58 Y HN 0.586 nan 8.280 nan 0.000 0.455 59 Q N 5.006 124.258 119.800 -0.913 0.000 2.337 59 Q HA 0.752 5.284 4.340 0.320 0.000 0.266 59 Q C -1.886 173.442 176.000 -1.121 0.000 1.023 59 Q CA -0.654 54.593 55.803 -0.927 0.000 0.829 59 Q CB 1.458 29.539 28.738 -1.095 0.000 1.306 59 Q HN 0.733 nan 8.270 nan 0.000 0.449 60 I N 3.459 123.654 120.570 -0.625 0.000 2.500 60 I HA 0.225 4.587 4.170 0.320 0.000 0.286 60 I C -0.576 175.388 176.117 -0.256 0.000 1.063 60 I CA -1.077 59.963 61.300 -0.435 0.000 1.062 60 I CB 1.869 39.765 38.000 -0.174 0.000 1.223 60 I HN 0.515 nan 8.210 nan 0.000 0.435 61 Q N 3.633 123.277 119.800 -0.259 0.000 2.364 61 Q HA 0.210 4.742 4.340 0.320 0.000 0.267 61 Q C 0.869 176.854 176.000 -0.026 0.000 0.999 61 Q CA 0.194 55.943 55.803 -0.091 0.000 0.886 61 Q CB 1.446 30.159 28.738 -0.043 0.000 1.243 61 Q HN 0.926 nan 8.270 nan 0.000 0.415 62 G N 1.778 110.589 108.800 0.018 0.000 3.651 62 G HA2 -0.037 4.115 3.960 0.320 0.000 0.279 62 G HA3 -0.037 4.115 3.960 0.320 0.000 0.279 62 G C 0.383 175.285 174.900 0.004 0.000 1.024 62 G CA -0.273 44.831 45.100 0.007 0.000 0.813 62 G HN 0.599 nan 8.290 nan 0.000 0.518 63 N N 0.000 118.701 118.700 0.002 0.000 2.234 63 N HA 0.124 5.056 4.740 0.320 0.000 0.227 63 N C -0.132 175.371 175.510 -0.012 0.000 1.151 63 N CA -0.256 52.787 53.050 -0.011 0.000 0.865 63 N CB 0.621 39.088 38.487 -0.033 0.000 1.066 63 N HN 0.298 nan 8.380 nan 0.000 0.515 64 E N 0.997 121.194 120.200 -0.004 0.000 2.235 64 E HA 0.464 5.006 4.350 0.320 0.000 0.265 64 E C -2.261 174.340 176.600 0.002 0.000 0.940 64 E CA -1.919 54.480 56.400 -0.001 0.000 0.819 64 E CB 1.484 31.188 29.700 0.006 0.000 1.206 64 E HN 0.170 nan 8.360 nan 0.000 0.409 65 P HA 0.084 nan 4.420 nan 0.000 0.274 65 P C -0.261 177.043 177.300 0.008 0.000 1.256 65 P CA -0.071 63.032 63.100 0.004 0.000 0.795 65 P CB 0.764 32.466 31.700 0.004 0.000 1.038 66 E N -0.373 119.831 120.200 0.008 0.000 2.427 66 E HA -0.085 4.457 4.350 0.320 0.000 0.196 66 E C 1.616 178.224 176.600 0.013 0.000 1.028 66 E CA 0.854 57.261 56.400 0.010 0.000 0.864 66 E CB -0.014 29.691 29.700 0.008 0.000 0.813 66 E HN 0.491 nan 8.360 nan 0.000 0.514 67 S N 0.206 115.913 115.700 0.012 0.000 2.496 67 S HA -0.077 4.585 4.470 0.320 0.000 0.224 67 S C 0.628 175.237 174.600 0.016 0.000 0.996 67 S CA 0.426 58.633 58.200 0.013 0.000 0.927 67 S CB 0.360 63.566 63.200 0.010 0.000 0.774 67 S HN 0.041 nan 8.310 nan 0.000 0.524 68 D N 0.712 121.122 120.400 0.017 0.000 2.752 68 D HA 0.222 5.054 4.640 0.320 0.000 0.242 68 D C -1.461 174.853 176.300 0.024 0.000 1.295 68 D CA -0.225 53.788 54.000 0.021 0.000 0.846 68 D CB -0.076 40.734 40.800 0.017 0.000 1.454 68 D HN 0.404 nan 8.370 nan 0.000 0.535 69 N N 1.142 119.859 118.700 0.029 0.000 2.372 69 N HA 0.477 5.408 4.740 0.320 0.000 0.291 69 N C -0.720 174.814 175.510 0.040 0.000 1.024 69 N CA -0.455 52.612 53.050 0.027 0.000 0.873 69 N CB 0.975 39.474 38.487 0.020 0.000 1.206 69 N HN 0.223 nan 8.380 nan 0.000 0.486 70 S N 1.623 117.350 115.700 0.045 0.000 2.509 70 S HA 0.717 5.379 4.470 0.320 0.000 0.297 70 S C -0.448 174.148 174.600 -0.007 0.000 1.118 70 S CA -0.617 57.635 58.200 0.087 0.000 1.074 70 S CB 1.553 64.855 63.200 0.170 0.000 1.038 70 S HN 0.630 nan 8.310 nan 0.000 0.498 71 S N 0.520 116.215 115.700 -0.009 0.000 2.638 71 S HA 0.911 5.573 4.470 0.320 0.000 0.274 71 S C -1.569 172.920 174.600 -0.185 0.000 1.157 71 S CA -1.044 56.915 58.200 -0.401 0.000 0.826 71 S CB 0.722 63.669 63.200 -0.422 0.000 1.139 71 S HN 1.595 nan 8.310 nan 0.000 0.474 72 W N -1.230 119.666 121.300 -0.673 0.000 3.298 72 W HA 0.636 5.497 4.660 0.335 0.000 0.302 72 W C -1.688 174.588 176.519 -0.404 0.000 1.255 72 W CA -0.830 56.289 57.345 -0.376 0.000 1.196 72 W CB 0.302 29.640 29.460 -0.203 0.000 1.364 72 W HN 0.571 nan 8.180 nan 0.000 0.566 73 T N 2.934 117.649 114.554 0.268 0.000 2.761 73 T HA 0.257 4.799 4.350 0.320 0.000 0.296 73 T C 0.996 175.797 174.700 0.168 0.000 0.934 73 T CA -0.336 61.923 62.100 0.265 0.000 1.091 73 T CB 1.122 70.213 68.868 0.371 0.000 0.896 73 T HN 0.512 nan 8.240 nan 0.000 0.515 74 R N 1.889 122.402 120.500 0.023 0.000 2.064 74 R HA 0.197 4.729 4.340 0.320 0.000 0.221 74 R C 0.824 177.102 176.300 -0.037 0.000 1.136 74 R CA 0.546 56.656 56.100 0.017 0.000 0.980 74 R CB 0.199 30.490 30.300 -0.016 0.000 0.876 74 R HN 0.591 nan 8.270 nan 0.000 0.437 75 V N -3.553 116.335 119.914 -0.042 0.000 2.962 75 V HA 0.895 5.207 4.120 0.320 0.000 0.313 75 V C -1.466 174.656 176.094 0.047 0.000 1.099 75 V CA -1.130 61.209 62.300 0.065 0.000 0.971 75 V CB 2.022 33.977 31.823 0.220 0.000 1.028 75 V HN 0.091 nan 8.190 nan 0.000 0.430 76 A N 4.194 127.108 122.820 0.157 0.000 2.562 76 A HA 0.801 5.313 4.320 0.320 0.000 0.297 76 A C -1.132 176.551 177.584 0.165 0.000 1.100 76 A CA -0.293 51.819 52.037 0.125 0.000 0.914 76 A CB 0.386 19.532 19.000 0.245 0.000 1.490 76 A HN 2.177 nan 8.150 nan 0.000 0.391 77 F N -0.077 119.922 119.950 0.082 0.000 2.631 77 F HA 0.941 5.662 4.527 0.323 0.000 0.308 77 F C -0.261 175.582 175.800 0.072 0.000 1.097 77 F CA -0.943 57.089 58.000 0.053 0.000 0.952 77 F CB 1.277 40.299 39.000 0.036 0.000 1.307 77 F HN 0.813 nan 8.300 nan 0.000 0.450 78 A N 1.023 124.002 122.820 0.266 0.000 2.374 78 A HA 1.016 5.528 4.320 0.320 0.000 0.317 78 A C -0.381 177.179 177.584 -0.041 0.000 1.094 78 A CA -0.343 51.749 52.037 0.091 0.000 0.765 78 A CB 1.251 20.307 19.000 0.092 0.000 1.268 78 A HN 1.876 nan 8.150 nan 0.000 0.438 79 G N -0.388 108.122 108.800 -0.483 0.000 2.608 79 G HA2 0.586 4.738 3.960 0.320 0.000 0.291 79 G HA3 0.586 4.738 3.960 0.320 0.000 0.291 79 G C -1.761 172.756 174.900 -0.637 0.000 1.425 79 G CA -0.636 44.071 45.100 -0.656 0.000 0.787 79 G HN 0.758 nan 8.290 nan 0.000 0.484 80 L N -0.051 121.110 121.223 -0.102 0.000 2.370 80 L HA 0.710 5.242 4.340 0.320 0.000 0.266 80 L C -0.312 176.784 176.870 0.378 0.000 1.002 80 L CA -0.903 54.038 54.840 0.167 0.000 0.818 80 L CB 2.657 44.830 42.059 0.189 0.000 1.325 80 L HN 0.517 nan 8.230 nan 0.000 0.418 81 K N 2.156 122.790 120.400 0.390 0.000 2.507 81 K HA 0.481 4.993 4.320 0.320 0.000 0.252 81 K C -1.883 174.883 176.600 0.276 0.000 0.943 81 K CA -0.460 56.010 56.287 0.305 0.000 0.808 81 K CB 1.641 34.280 32.500 0.232 0.000 1.142 81 K HN 0.372 nan 8.250 nan 0.000 0.426 82 F N 2.991 122.997 119.950 0.094 0.000 2.469 82 F HA 0.304 5.022 4.527 0.319 0.000 0.332 82 F C 0.030 175.860 175.800 0.051 0.000 1.103 82 F CA -0.478 57.569 58.000 0.078 0.000 0.979 82 F CB 1.706 40.760 39.000 0.090 0.000 1.137 82 F HN 0.522 nan 8.300 nan 0.000 0.463 83 Q N 3.932 123.403 119.800 -0.550 0.000 2.300 83 Q HA 0.131 4.663 4.340 0.320 0.000 0.280 83 Q C 0.021 175.932 176.000 -0.148 0.000 1.033 83 Q CA 0.881 56.495 55.803 -0.314 0.000 0.903 83 Q CB 0.191 28.715 28.738 -0.358 0.000 1.195 83 Q HN 0.717 nan 8.270 nan 0.000 0.386 84 D N 1.832 122.208 120.400 -0.041 0.000 3.039 84 D HA -0.181 4.651 4.640 0.320 0.000 0.222 84 D C 0.058 176.451 176.300 0.155 0.000 1.179 84 D CA 1.121 55.153 54.000 0.053 0.000 0.880 84 D CB -1.333 39.518 40.800 0.086 0.000 1.115 84 D HN 0.343 nan 8.370 nan 0.000 0.416 85 V N -1.862 118.142 119.914 0.149 0.000 3.251 85 V HA 0.581 4.893 4.120 0.320 0.000 0.239 85 V C 1.287 177.426 176.094 0.074 0.000 1.332 85 V CA 0.956 63.412 62.300 0.259 0.000 1.224 85 V CB 1.156 33.262 31.823 0.471 0.000 1.004 85 V HN 0.594 nan 8.190 nan 0.000 0.464 86 G N 0.702 109.500 108.800 -0.003 0.000 2.331 86 G HA2 0.236 4.388 3.960 0.320 0.000 0.402 86 G HA3 0.236 4.388 3.960 0.320 0.000 0.402 86 G C -0.607 174.230 174.900 -0.104 0.000 1.275 86 G CA -0.060 44.897 45.100 -0.238 0.000 1.003 86 G HN 0.926 nan 8.290 nan 0.000 0.500 87 S N -1.309 114.243 115.700 -0.247 0.000 2.599 87 S HA 0.874 5.536 4.470 0.320 0.000 0.294 87 S C -1.122 173.524 174.600 0.077 0.000 1.094 87 S CA -0.576 57.636 58.200 0.020 0.000 0.931 87 S CB 2.487 65.728 63.200 0.068 0.000 1.093 87 S HN 1.936 nan 8.310 nan 0.000 0.488 88 F N 1.521 121.537 119.950 0.110 0.000 2.556 88 F HA 0.669 5.389 4.527 0.322 0.000 0.314 88 F C -1.855 174.030 175.800 0.141 0.000 1.106 88 F CA -0.491 57.594 58.000 0.141 0.000 0.911 88 F CB 1.688 40.797 39.000 0.183 0.000 1.190 88 F HN 0.919 nan 8.300 nan 0.000 0.448 89 D N 3.410 123.387 120.400 -0.705 0.000 2.661 89 D HA 0.378 5.209 4.640 0.320 0.000 0.228 89 D C -2.066 173.869 176.300 -0.609 0.000 1.183 89 D CA -0.556 53.143 54.000 -0.501 0.000 0.844 89 D CB 1.903 42.638 40.800 -0.110 0.000 1.555 89 D HN 0.474 nan 8.370 nan 0.000 0.453 90 Y N 0.448 120.551 120.300 -0.327 0.000 2.442 90 Y HA 0.700 5.443 4.550 0.322 0.000 0.344 90 Y C 0.143 176.101 175.900 0.097 0.000 0.976 90 Y CA 0.325 58.358 58.100 -0.113 0.000 1.040 90 Y CB 1.902 40.375 38.460 0.021 0.000 1.228 90 Y HN 0.958 nan 8.280 nan 0.000 0.451 91 G N 4.314 112.706 108.800 -0.680 0.000 2.373 91 G HA2 0.078 4.230 3.960 0.320 0.000 0.250 91 G HA3 0.078 4.230 3.960 0.320 0.000 0.250 91 G C -1.761 172.991 174.900 -0.246 0.000 1.304 91 G CA -1.201 43.650 45.100 -0.415 0.000 0.948 91 G HN 0.737 nan 8.290 nan 0.000 0.474 92 R N 0.775 121.264 120.500 -0.018 0.000 2.265 92 R HA 0.603 5.135 4.340 0.320 0.000 0.314 92 R C -0.329 176.078 176.300 0.178 0.000 1.053 92 R CA -0.207 55.918 56.100 0.041 0.000 0.931 92 R CB 0.515 30.841 30.300 0.044 0.000 1.024 92 R HN 0.649 nan 8.270 nan 0.000 0.457 93 N N 2.185 121.010 118.700 0.208 0.000 3.449 93 N HA 0.168 5.100 4.740 0.320 0.000 0.312 93 N C -1.880 173.599 175.510 -0.051 0.000 1.557 93 N CA -0.638 52.472 53.050 0.101 0.000 0.864 93 N CB 0.561 39.007 38.487 -0.068 0.000 1.799 93 N HN 0.364 nan 8.380 nan 0.000 0.554 94 Y N 0.692 120.889 120.300 -0.172 0.000 2.327 94 Y HA 0.454 5.197 4.550 0.322 0.000 0.336 94 Y C 1.445 176.946 175.900 -0.665 0.000 1.035 94 Y CA -0.133 57.793 58.100 -0.289 0.000 1.165 94 Y CB 0.947 39.303 38.460 -0.172 0.000 1.181 94 Y HN 0.485 nan 8.280 nan 0.000 0.494 95 G N 1.677 110.119 108.800 -0.596 0.000 2.491 95 G HA2 0.109 4.261 3.960 0.320 0.000 0.238 95 G HA3 0.109 4.261 3.960 0.320 0.000 0.238 95 G C 0.943 175.656 174.900 -0.311 0.000 1.277 95 G CA -0.441 44.225 45.100 -0.723 0.000 0.851 95 G HN 0.707 nan 8.290 nan 0.000 0.573 96 V N 2.662 122.395 119.914 -0.301 0.000 2.594 96 V HA -0.178 4.134 4.120 0.320 0.000 0.253 96 V C 2.902 178.919 176.094 -0.128 0.000 1.069 96 V CA 1.944 64.142 62.300 -0.171 0.000 1.082 96 V CB -0.341 31.401 31.823 -0.135 0.000 0.680 96 V HN 0.536 nan 8.190 nan 0.000 0.469 97 V N -0.627 119.214 119.914 -0.123 0.000 2.317 97 V HA -0.335 3.977 4.120 0.320 0.000 0.251 97 V C 2.210 178.207 176.094 -0.161 0.000 1.065 97 V CA 2.716 64.933 62.300 -0.138 0.000 1.049 97 V CB -1.045 30.700 31.823 -0.131 0.000 0.651 97 V HN 0.749 nan 8.190 nan 0.000 0.450 98 Y N 1.339 121.492 120.300 -0.245 0.000 2.569 98 Y HA -0.192 4.552 4.550 0.323 0.000 0.293 98 Y C 2.107 177.862 175.900 -0.241 0.000 1.144 98 Y CA 1.237 59.197 58.100 -0.233 0.000 1.321 98 Y CB -0.392 38.008 38.460 -0.100 0.000 0.982 98 Y HN 0.379 nan 8.280 nan 0.000 0.558 99 D N -1.054 119.214 120.400 -0.219 0.000 2.221 99 D HA -0.151 4.681 4.640 0.320 0.000 0.204 99 D C 2.023 178.001 176.300 -0.537 0.000 0.982 99 D CA 1.441 55.280 54.000 -0.268 0.000 0.857 99 D CB 0.038 40.741 40.800 -0.162 0.000 0.934 99 D HN 0.329 nan 8.370 nan 0.000 0.475 100 V N 0.046 119.571 119.914 -0.648 0.000 2.806 100 V HA -0.079 4.233 4.120 0.320 0.000 0.239 100 V C 2.516 178.123 176.094 -0.813 0.000 1.113 100 V CA 1.340 63.007 62.300 -1.055 0.000 1.137 100 V CB -0.292 31.083 31.823 -0.746 0.000 0.865 100 V HN 0.231 nan 8.190 nan 0.000 0.482 101 T N -0.084 114.167 114.554 -0.505 0.000 2.881 101 T HA -0.198 4.344 4.350 0.320 0.000 0.270 101 T C 1.997 176.501 174.700 -0.327 0.000 1.068 101 T CA 1.740 63.653 62.100 -0.311 0.000 1.131 101 T CB -0.622 68.103 68.868 -0.239 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.250 115.515 115.700 -0.725 0.000 2.419 102 S HA -0.148 4.514 4.470 0.320 0.000 0.235 102 S C 1.655 176.200 174.600 -0.091 0.000 1.019 102 S CA 0.745 58.484 58.200 -0.768 0.000 0.982 102 S CB -1.095 61.396 63.200 -1.182 0.000 0.789 102 S HN 0.680 nan 8.310 nan 0.000 0.490 103 W N 2.927 124.122 121.300 -0.175 0.000 2.364 103 W HA 0.038 4.889 4.660 0.319 0.000 0.281 103 W C 2.551 179.132 176.519 0.104 0.000 1.219 103 W CA 1.352 58.698 57.345 0.002 0.000 1.220 103 W CB -1.611 27.846 29.460 -0.004 0.000 1.127 103 W HN 0.638 nan 8.180 nan 0.000 0.556 104 T N -4.091 110.605 114.554 0.238 0.000 3.040 104 T HA 0.018 4.559 4.350 0.320 0.000 0.250 104 T C 0.568 175.344 174.700 0.126 0.000 1.058 104 T CA 0.134 62.336 62.100 0.170 0.000 0.988 104 T CB 0.022 68.935 68.868 0.075 0.000 0.993 104 T HN -0.210 nan 8.240 nan 0.000 0.519 105 D N 2.687 123.157 120.400 0.117 0.000 2.934 105 D HA 0.166 4.998 4.640 0.320 0.000 0.237 105 D C 0.954 177.296 176.300 0.070 0.000 1.158 105 D CA -0.246 53.832 54.000 0.130 0.000 0.971 105 D CB -0.077 40.859 40.800 0.227 0.000 1.123 105 D HN 0.401 nan 8.370 nan 0.000 0.467 106 V N -0.847 119.085 119.914 0.030 0.000 3.199 106 V HA 0.338 4.650 4.120 0.320 0.000 0.331 106 V C 0.489 176.553 176.094 -0.051 0.000 1.446 106 V CA -0.565 61.700 62.300 -0.059 0.000 1.120 106 V CB -0.685 31.018 31.823 -0.200 0.000 1.051 106 V HN 0.027 nan 8.190 nan 0.000 0.495 107 L N 0.583 121.802 121.223 -0.006 0.000 2.466 107 L HA 0.396 4.928 4.340 0.320 0.000 0.257 107 L C -0.912 175.879 176.870 -0.132 0.000 1.189 107 L CA -1.427 53.403 54.840 -0.017 0.000 0.813 107 L CB 0.424 42.524 42.059 0.068 0.000 1.118 107 L HN 0.030 nan 8.230 nan 0.000 0.471 108 P HA -0.166 nan 4.420 nan 0.000 0.215 108 P C 0.829 177.704 177.300 -0.709 0.000 1.153 108 P CA 1.179 63.921 63.100 -0.596 0.000 0.853 108 P CB 0.401 31.680 31.700 -0.702 0.000 0.788 109 E N -3.108 116.780 120.200 -0.520 0.000 2.684 109 E HA 0.140 4.682 4.350 0.320 0.000 0.204 109 E C 0.632 176.995 176.600 -0.395 0.000 0.900 109 E CA 0.052 56.172 56.400 -0.465 0.000 1.481 109 E CB -0.323 29.039 29.700 -0.563 0.000 1.468 109 E HN -0.113 nan 8.360 nan 0.000 0.778 110 F N 0.954 120.904 119.950 0.001 0.000 2.139 110 F HA 0.634 5.354 4.527 0.321 0.000 0.273 110 F C 1.549 177.394 175.800 0.074 0.000 1.058 110 F CA 0.451 58.460 58.000 0.016 0.000 1.149 110 F CB -0.368 38.595 39.000 -0.061 0.000 1.739 110 F HN 0.185 nan 8.300 nan 0.000 0.536 111 G N -1.134 107.903 108.800 0.396 0.000 2.795 111 G HA2 0.390 4.542 3.960 0.320 0.000 0.664 111 G HA3 0.390 4.542 3.960 0.320 0.000 0.664 111 G C 0.464 175.435 174.900 0.119 0.000 1.381 111 G CA -0.257 44.988 45.100 0.242 0.000 0.853 111 G HN 1.877 nan 8.290 nan 0.000 0.545 112 G N -0.846 107.981 108.800 0.045 0.000 2.179 112 G HA2 0.033 4.185 3.960 0.320 0.000 0.257 112 G HA3 0.033 4.185 3.960 0.320 0.000 0.257 112 G C 0.500 175.116 174.900 -0.474 0.000 1.010 112 G CA 1.373 46.436 45.100 -0.060 0.000 0.736 112 G HN 2.328 nan 8.290 nan 0.000 0.513 113 D N -0.776 119.436 120.400 -0.314 0.000 2.650 113 D HA 0.148 4.980 4.640 0.320 0.000 0.265 113 D C 1.474 177.638 176.300 -0.227 0.000 1.339 113 D CA 0.549 54.369 54.000 -0.301 0.000 0.816 113 D CB -0.685 40.077 40.800 -0.063 0.000 1.091 113 D HN 0.431 nan 8.370 nan 0.000 0.483 114 T N -2.235 112.170 114.554 -0.248 0.000 3.169 114 T HA 0.213 4.755 4.350 0.320 0.000 0.250 114 T C 0.264 175.028 174.700 0.107 0.000 1.111 114 T CA 0.035 62.115 62.100 -0.033 0.000 1.010 114 T CB -0.884 68.013 68.868 0.049 0.000 0.984 114 T HN 0.374 nan 8.240 nan 0.000 0.537 115 Y N -2.230 118.107 120.300 0.061 0.000 2.764 115 Y HA 0.776 5.517 4.550 0.318 0.000 0.331 115 Y C -1.460 174.474 175.900 0.057 0.000 1.280 115 Y CA -1.812 56.335 58.100 0.079 0.000 1.065 115 Y CB 0.653 39.173 38.460 0.100 0.000 1.319 115 Y HN -0.108 nan 8.280 nan 0.000 0.453 116 D N -0.113 120.442 120.400 0.257 0.000 2.531 116 D HA 0.403 5.234 4.640 0.320 0.000 0.244 116 D C -1.063 175.323 176.300 0.143 0.000 1.090 116 D CA -0.738 53.322 54.000 0.101 0.000 0.989 116 D CB 2.356 43.171 40.800 0.025 0.000 1.433 116 D HN 0.561 nan 8.370 nan 0.000 0.492 117 S N 0.370 116.083 115.700 0.021 0.000 2.572 117 S HA 0.035 4.697 4.470 0.320 0.000 0.279 117 S C 0.080 174.656 174.600 -0.040 0.000 1.341 117 S CA -0.117 58.063 58.200 -0.034 0.000 1.043 117 S CB 0.243 63.370 63.200 -0.123 0.000 0.887 117 S HN 0.446 nan 8.310 nan 0.000 0.516 118 D N 1.271 121.642 120.400 -0.047 0.000 2.689 118 D HA -0.194 4.638 4.640 0.320 0.000 0.237 118 D C -0.248 176.003 176.300 -0.082 0.000 1.148 118 D CA 0.642 54.596 54.000 -0.076 0.000 0.656 118 D CB -1.228 39.511 40.800 -0.101 0.000 1.050 118 D HN 0.714 nan 8.370 nan 0.000 0.426 119 N N 0.333 119.021 118.700 -0.019 0.000 2.813 119 N HA 0.238 5.170 4.740 0.320 0.000 0.282 119 N C 0.394 175.979 175.510 0.125 0.000 1.748 119 N CA -0.447 52.620 53.050 0.029 0.000 0.860 119 N CB 0.432 39.031 38.487 0.186 0.000 1.204 119 N HN -0.062 nan 8.380 nan 0.000 0.490 120 F N -0.060 119.963 119.950 0.120 0.000 2.169 120 F HA -0.407 4.314 4.527 0.323 0.000 0.314 120 F C 1.256 177.160 175.800 0.173 0.000 0.318 120 F CA 1.154 59.211 58.000 0.095 0.000 0.904 120 F CB -0.594 38.439 39.000 0.056 0.000 4.078 120 F HN 0.281 nan 8.300 nan 0.000 0.173 121 M N 0.268 120.101 119.600 0.389 0.000 2.549 121 M HA 0.137 4.809 4.480 0.320 0.000 0.273 121 M C 1.024 177.401 176.300 0.128 0.000 1.213 121 M CA 0.290 55.791 55.300 0.334 0.000 0.976 121 M CB 0.170 32.925 32.600 0.258 0.000 1.457 121 M HN 0.436 nan 8.290 nan 0.000 0.485 122 Q N 0.089 119.967 119.800 0.130 0.000 2.212 122 Q HA 0.053 4.585 4.340 0.320 0.000 0.199 122 Q C 1.381 177.327 176.000 -0.090 0.000 0.950 122 Q CA 0.896 56.690 55.803 -0.016 0.000 0.863 122 Q CB 0.634 29.392 28.738 0.033 0.000 0.944 122 Q HN 0.541 nan 8.270 nan 0.000 0.465 123 Q N -0.749 119.062 119.800 0.019 0.000 2.860 123 Q HA 0.280 4.812 4.340 0.320 0.000 0.401 123 Q C -0.844 175.105 176.000 -0.085 0.000 0.669 123 Q CA -0.615 55.158 55.803 -0.050 0.000 0.916 123 Q CB 1.116 29.890 28.738 0.060 0.000 1.310 123 Q HN 0.011 nan 8.270 nan 0.000 0.394 124 R N -0.417 119.930 120.500 -0.255 0.000 2.643 124 R HA 0.496 5.028 4.340 0.320 0.000 0.270 124 R C -0.021 176.282 176.300 0.005 0.000 1.061 124 R CA 0.680 56.597 56.100 -0.305 0.000 1.107 124 R CB 0.524 30.550 30.300 -0.456 0.000 0.999 124 R HN 0.626 nan 8.270 nan 0.000 0.460 125 G N 1.063 109.945 108.800 0.135 0.000 2.547 125 G HA2 0.154 4.306 3.960 0.320 0.000 0.291 125 G HA3 0.154 4.306 3.960 0.320 0.000 0.291 125 G C -1.568 173.178 174.900 -0.256 0.000 1.471 125 G CA -1.015 44.058 45.100 -0.045 0.000 0.798 125 G HN 0.596 nan 8.290 nan 0.000 0.504 126 N N -0.317 118.170 118.700 -0.355 0.000 2.518 126 N HA 0.471 5.403 4.740 0.320 0.000 0.283 126 N C 0.826 176.044 175.510 -0.487 0.000 1.119 126 N CA 0.655 53.514 53.050 -0.319 0.000 0.983 126 N CB 1.422 39.800 38.487 -0.180 0.000 1.139 126 N HN 1.560 nan 8.380 nan 0.000 0.465 127 G N 0.921 109.481 108.800 -0.400 0.000 2.256 127 G HA2 -0.260 3.892 3.960 0.320 0.000 0.272 127 G HA3 -0.260 3.892 3.960 0.320 0.000 0.272 127 G C -0.732 174.024 174.900 -0.240 0.000 1.076 127 G CA -0.467 44.442 45.100 -0.318 0.000 0.882 127 G HN 0.394 nan 8.290 nan 0.000 0.497 128 F N 0.728 120.572 119.950 -0.176 0.000 2.424 128 F HA 0.617 5.334 4.527 0.318 0.000 0.356 128 F C 0.788 176.605 175.800 0.027 0.000 1.110 128 F CA -0.512 57.463 58.000 -0.041 0.000 1.161 128 F CB 1.711 40.656 39.000 -0.092 0.000 1.115 128 F HN 0.407 nan 8.300 nan 0.000 0.507 129 A N 3.062 126.161 122.820 0.466 0.000 2.253 129 A HA 0.667 5.179 4.320 0.320 0.000 0.316 129 A C -0.346 177.420 177.584 0.302 0.000 1.327 129 A CA -0.402 51.894 52.037 0.431 0.000 0.917 129 A CB -0.007 19.381 19.000 0.645 0.000 1.162 129 A HN 0.676 nan 8.150 nan 0.000 0.535 130 T N 2.457 117.006 114.554 -0.007 0.000 2.809 130 T HA 0.422 4.964 4.350 0.320 0.000 0.284 130 T C -0.968 173.791 174.700 0.099 0.000 0.992 130 T CA -0.128 61.989 62.100 0.030 0.000 0.957 130 T CB 0.659 69.452 68.868 -0.125 0.000 0.942 130 T HN 0.511 nan 8.240 nan 0.000 0.439 131 Y N 3.406 123.803 120.300 0.160 0.000 2.342 131 Y HA 0.649 5.391 4.550 0.320 0.000 0.334 131 Y C -0.040 175.855 175.900 -0.007 0.000 1.067 131 Y CA -0.921 57.280 58.100 0.170 0.000 1.128 131 Y CB 0.839 39.442 38.460 0.238 0.000 1.200 131 Y HN 0.521 nan 8.280 nan 0.000 0.464 132 R N 4.398 124.365 120.500 -0.888 0.000 2.673 132 R HA 0.333 4.864 4.340 0.320 0.000 0.281 132 R C -1.626 174.030 176.300 -1.073 0.000 0.991 132 R CA -1.154 54.498 56.100 -0.747 0.000 0.896 132 R CB 1.784 31.845 30.300 -0.399 0.000 1.201 132 R HN 0.628 nan 8.270 nan 0.000 0.457 133 N N 1.415 119.546 118.700 -0.949 0.000 2.410 133 N HA 0.222 5.154 4.740 0.320 0.000 0.287 133 N C -1.542 173.662 175.510 -0.510 0.000 1.044 133 N CA -0.243 52.292 53.050 -0.859 0.000 0.881 133 N CB 2.166 39.919 38.487 -1.224 0.000 1.405 133 N HN 0.650 nan 8.380 nan 0.000 0.490 134 T N 0.127 114.495 114.554 -0.310 0.000 2.797 134 T HA 0.390 4.931 4.350 0.320 0.000 0.279 134 T C -0.259 174.423 174.700 -0.031 0.000 0.991 134 T CA -0.438 61.585 62.100 -0.129 0.000 0.979 134 T CB 0.996 69.794 68.868 -0.116 0.000 0.943 134 T HN 0.478 nan 8.240 nan 0.000 0.444 135 D N 0.657 121.108 120.400 0.084 0.000 2.945 135 D HA -0.207 4.625 4.640 0.320 0.000 0.225 135 D C 0.052 176.530 176.300 0.297 0.000 1.158 135 D CA 0.896 55.000 54.000 0.172 0.000 0.805 135 D CB -1.792 39.075 40.800 0.111 0.000 1.098 135 D HN 0.884 nan 8.370 nan 0.000 0.426 136 F N -0.096 119.939 119.950 0.141 0.000 2.384 136 F HA -0.330 4.389 4.527 0.320 0.000 0.199 136 F C 0.376 176.385 175.800 0.347 0.000 1.027 136 F CA 0.930 59.091 58.000 0.268 0.000 0.870 136 F CB -1.556 37.660 39.000 0.360 0.000 0.895 136 F HN 0.162 nan 8.300 nan 0.000 0.818 137 F N 1.122 121.056 119.950 -0.027 0.000 3.100 137 F HA -0.239 4.480 4.527 0.321 0.000 0.284 137 F C 1.590 177.427 175.800 0.062 0.000 0.875 137 F CA 1.467 59.453 58.000 -0.024 0.000 1.039 137 F CB -1.532 37.395 39.000 -0.122 0.000 1.111 137 F HN 1.151 nan 8.300 nan 0.000 0.575 138 G N -0.741 108.174 108.800 0.192 0.000 2.162 138 G HA2 -0.341 3.811 3.960 0.320 0.000 0.260 138 G HA3 -0.341 3.811 3.960 0.320 0.000 0.260 138 G C 0.802 175.822 174.900 0.200 0.000 0.976 138 G CA 0.370 45.567 45.100 0.163 0.000 0.655 138 G HN 0.547 nan 8.290 nan 0.000 0.533 139 L N -0.828 120.572 121.223 0.294 0.000 2.408 139 L HA 0.302 4.834 4.340 0.320 0.000 0.215 139 L C 0.636 177.657 176.870 0.253 0.000 1.081 139 L CA 0.567 55.579 54.840 0.286 0.000 0.840 139 L CB 0.473 42.766 42.059 0.391 0.000 1.002 139 L HN 0.123 nan 8.230 nan 0.000 0.468 140 V N 0.251 120.343 119.914 0.297 0.000 2.385 140 V HA 0.216 4.528 4.120 0.320 0.000 0.277 140 V C -0.936 175.310 176.094 0.253 0.000 1.012 140 V CA -0.990 61.452 62.300 0.237 0.000 0.832 140 V CB 1.266 33.201 31.823 0.186 0.000 1.028 140 V HN 0.039 nan 8.190 nan 0.000 0.436 141 D N 3.967 124.494 120.400 0.212 0.000 2.472 141 D HA 0.348 5.180 4.640 0.320 0.000 0.248 141 D C 1.303 177.719 176.300 0.195 0.000 1.174 141 D CA 1.878 55.985 54.000 0.177 0.000 0.883 141 D CB 1.391 42.278 40.800 0.146 0.000 1.149 141 D HN 0.968 nan 8.370 nan 0.000 0.488 142 G N 1.884 110.761 108.800 0.129 0.000 2.194 142 G HA2 -0.266 3.886 3.960 0.320 0.000 0.236 142 G HA3 -0.266 3.886 3.960 0.320 0.000 0.236 142 G C 0.130 175.132 174.900 0.169 0.000 0.987 142 G CA -0.233 44.889 45.100 0.037 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 0.329 0.000 2.268 143 L HA 0.696 5.227 4.340 0.320 0.000 0.289 143 L C -0.917 176.155 176.870 0.337 0.000 1.064 143 L CA -0.982 54.097 54.840 0.399 0.000 0.824 143 L CB 0.839 43.119 42.059 0.369 0.000 1.202 143 L HN 0.111 nan 8.230 nan 0.000 0.433 144 D N 5.069 125.644 120.400 0.291 0.000 2.342 144 D HA 0.646 5.478 4.640 0.320 0.000 0.243 144 D C -0.765 175.729 176.300 0.323 0.000 1.019 144 D CA 0.238 54.362 54.000 0.207 0.000 0.864 144 D CB 1.824 42.680 40.800 0.095 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.032 118.979 119.950 0.101 0.000 2.686 145 F HA 0.840 5.560 4.527 0.321 0.000 0.311 145 F C -1.887 173.959 175.800 0.077 0.000 1.128 145 F CA -1.203 56.860 58.000 0.106 0.000 0.946 145 F CB 1.300 40.404 39.000 0.173 0.000 1.336 145 F HN 0.373 nan 8.300 nan 0.000 0.457 146 A N 1.650 124.610 122.820 0.234 0.000 2.455 146 A HA 0.773 5.285 4.320 0.320 0.000 0.300 146 A C -2.082 175.647 177.584 0.242 0.000 1.040 146 A CA -0.827 51.282 52.037 0.119 0.000 0.697 146 A CB 1.665 20.666 19.000 0.002 0.000 1.265 146 A HN 0.944 nan 8.150 nan 0.000 0.407 147 V N 1.966 122.044 119.914 0.273 0.000 2.495 147 V HA 0.648 4.959 4.120 0.320 0.000 0.298 147 V C -0.131 176.009 176.094 0.078 0.000 1.031 147 V CA -0.370 62.022 62.300 0.153 0.000 0.871 147 V CB 1.549 33.485 31.823 0.188 0.000 0.988 147 V HN 0.957 nan 8.190 nan 0.000 0.432 148 Q N 2.826 122.566 119.800 -0.101 0.000 2.331 148 Q HA 0.580 5.112 4.340 0.320 0.000 0.272 148 Q C -2.171 173.712 176.000 -0.194 0.000 1.062 148 Q CA -0.640 55.141 55.803 -0.038 0.000 0.806 148 Q CB 2.532 31.253 28.738 -0.029 0.000 1.312 148 Q HN 0.725 nan 8.270 nan 0.000 0.431 149 Y N 1.036 121.480 120.300 0.239 0.000 2.393 149 Y HA 0.369 5.110 4.550 0.319 0.000 0.341 149 Y C -0.367 175.705 175.900 0.287 0.000 0.988 149 Y CA -0.717 57.521 58.100 0.230 0.000 1.078 149 Y CB 2.085 40.667 38.460 0.203 0.000 1.203 149 Y HN 0.496 nan 8.280 nan 0.000 0.453 150 Q N 1.951 121.969 119.800 0.363 0.000 2.325 150 Q HA 0.583 5.115 4.340 0.320 0.000 0.270 150 Q C -0.384 175.696 176.000 0.134 0.000 1.020 150 Q CA -0.804 55.111 55.803 0.186 0.000 0.785 150 Q CB 1.550 30.321 28.738 0.054 0.000 1.259 150 Q HN 0.980 nan 8.270 nan 0.000 0.452 151 G N 2.939 111.803 108.800 0.106 0.000 2.467 151 G HA2 0.097 4.249 3.960 0.320 0.000 0.257 151 G HA3 0.097 4.249 3.960 0.320 0.000 0.257 151 G C -0.619 174.303 174.900 0.038 0.000 1.227 151 G CA -0.485 44.671 45.100 0.094 0.000 0.835 151 G HN 0.737 nan 8.290 nan 0.000 0.556 152 K N 1.289 121.718 120.400 0.048 0.000 2.513 152 K HA -0.090 4.422 4.320 0.320 0.000 0.275 152 K C -0.459 176.145 176.600 0.007 0.000 1.025 152 K CA 0.490 56.797 56.287 0.033 0.000 1.125 152 K CB 0.037 32.561 32.500 0.040 0.000 0.843 152 K HN 0.450 nan 8.250 nan 0.000 0.486 153 N N 3.162 121.853 118.700 -0.015 0.000 2.518 153 N HA 0.233 5.165 4.740 0.320 0.000 0.254 153 N C -0.228 175.272 175.510 -0.018 0.000 0.979 153 N CA -0.350 52.681 53.050 -0.031 0.000 0.930 153 N CB 1.945 40.388 38.487 -0.073 0.000 1.152 153 N HN 0.748 nan 8.380 nan 0.000 0.505 154 G N 0.332 109.128 108.800 -0.006 0.000 3.008 154 G HA2 0.431 4.583 3.960 0.320 0.000 0.181 154 G HA3 0.431 4.583 3.960 0.320 0.000 0.181 154 G C -0.146 174.756 174.900 0.004 0.000 1.309 154 G CA -0.355 44.752 45.100 0.011 0.000 1.009 154 G HN 0.414 nan 8.290 nan 0.000 0.584 155 S N -1.010 114.701 115.700 0.018 0.000 2.632 155 S HA 0.507 5.169 4.470 0.320 0.000 0.267 155 S C 1.244 175.814 174.600 -0.051 0.000 1.276 155 S CA 0.220 58.427 58.200 0.012 0.000 0.998 155 S CB 1.575 64.811 63.200 0.061 0.000 0.953 155 S HN 1.181 nan 8.310 nan 0.000 0.547 156 A N 0.009 122.764 122.820 -0.108 0.000 2.119 156 A HA 0.171 4.683 4.320 0.320 0.000 0.216 156 A C 0.633 177.844 177.584 -0.621 0.000 1.152 156 A CA 0.525 52.351 52.037 -0.352 0.000 0.708 156 A CB -0.502 18.252 19.000 -0.411 0.000 0.805 156 A HN 0.844 nan 8.150 nan 0.000 0.460 157 H N -2.356 116.726 119.070 0.019 0.000 2.930 157 H HA 0.469 5.217 4.556 0.320 0.000 0.371 157 H C 0.763 176.095 175.328 0.008 0.000 1.169 157 H CA -0.191 55.865 56.048 0.013 0.000 1.157 157 H CB 1.061 30.832 29.762 0.015 0.000 1.789 157 H HN 0.585 nan 8.280 nan 0.000 0.547 158 G N 2.103 110.973 108.800 0.116 0.000 2.539 158 G HA2 -0.262 3.890 3.960 0.320 0.000 0.256 158 G HA3 -0.262 3.890 3.960 0.320 0.000 0.256 158 G C -0.335 174.561 174.900 -0.007 0.000 1.233 158 G CA -0.144 44.980 45.100 0.039 0.000 0.936 158 G HN 0.646 nan 8.290 nan 0.000 0.571 159 E N 1.162 121.326 120.200 -0.060 0.000 2.413 159 E HA 0.389 4.931 4.350 0.320 0.000 0.263 159 E C 1.199 177.777 176.600 -0.037 0.000 1.015 159 E CA 1.177 57.516 56.400 -0.102 0.000 0.916 159 E CB 0.303 29.850 29.700 -0.256 0.000 0.947 159 E HN 2.207 nan 8.360 nan 0.000 0.440 160 G N 2.868 111.655 108.800 -0.022 0.000 2.143 160 G HA2 -0.355 3.797 3.960 0.320 0.000 0.248 160 G HA3 -0.355 3.797 3.960 0.320 0.000 0.248 160 G C 0.217 175.130 174.900 0.021 0.000 0.991 160 G CA 0.314 45.428 45.100 0.023 0.000 0.689 160 G HN 0.515 nan 8.290 nan 0.000 0.522 161 M N 2.161 121.763 119.600 0.003 0.000 2.239 161 M HA 0.489 5.161 4.480 0.320 0.000 0.348 161 M C 0.994 177.288 176.300 -0.010 0.000 1.239 161 M CA 0.964 56.258 55.300 -0.010 0.000 1.114 161 M CB 0.509 33.098 32.600 -0.018 0.000 1.641 161 M HN 0.544 nan 8.290 nan 0.000 0.453 162 T N 0.202 114.745 114.554 -0.017 0.000 2.930 162 T HA 0.271 4.813 4.350 0.320 0.000 0.290 162 T C 0.698 175.384 174.700 -0.023 0.000 1.052 162 T CA -0.467 61.626 62.100 -0.012 0.000 1.017 162 T CB 1.544 70.410 68.868 -0.004 0.000 1.137 162 T HN 0.718 nan 8.240 nan 0.000 0.511 163 T N 0.896 115.443 114.554 -0.011 0.000 2.803 163 T HA -0.127 4.415 4.350 0.320 0.000 0.269 163 T C 1.211 175.901 174.700 -0.017 0.000 1.052 163 T CA 1.796 63.889 62.100 -0.012 0.000 1.136 163 T CB -0.856 68.014 68.868 0.003 0.000 0.864 163 T HN 0.793 nan 8.240 nan 0.000 0.467 164 N N 0.685 119.378 118.700 -0.013 0.000 2.453 164 N HA 0.242 5.174 4.740 0.320 0.000 0.270 164 N C 0.472 175.963 175.510 -0.031 0.000 1.195 164 N CA -0.272 52.769 53.050 -0.016 0.000 0.902 164 N CB -0.355 38.129 38.487 -0.005 0.000 1.186 164 N HN 0.317 nan 8.380 nan 0.000 0.510 165 G N 1.184 109.956 108.800 -0.047 0.000 2.554 165 G HA2 0.273 4.425 3.960 0.320 0.000 0.238 165 G HA3 0.273 4.425 3.960 0.320 0.000 0.238 165 G C 0.090 174.958 174.900 -0.054 0.000 1.259 165 G CA -0.435 44.632 45.100 -0.055 0.000 0.843 165 G HN 0.532 nan 8.290 nan 0.000 0.582 166 R N 1.296 121.775 120.500 -0.036 0.000 2.621 166 R HA 0.342 4.874 4.340 0.320 0.000 0.284 166 R C -1.120 175.180 176.300 0.001 0.000 0.998 166 R CA -0.944 55.142 56.100 -0.022 0.000 0.895 166 R CB 1.475 31.762 30.300 -0.023 0.000 1.195 166 R HN 0.344 nan 8.270 nan 0.000 0.450 167 D N 0.215 120.627 120.400 0.020 0.000 2.323 167 D HA -0.062 4.770 4.640 0.320 0.000 0.209 167 D C -0.355 175.968 176.300 0.039 0.000 0.973 167 D CA 0.944 54.973 54.000 0.048 0.000 0.874 167 D CB 0.243 41.091 40.800 0.080 0.000 0.930 167 D HN 0.518 nan 8.370 nan 0.000 0.521 168 D N 0.848 121.266 120.400 0.031 0.000 2.344 168 D HA -0.027 4.805 4.640 0.320 0.000 0.253 168 D C 1.399 177.719 176.300 0.034 0.000 1.255 168 D CA -0.122 53.905 54.000 0.045 0.000 0.894 168 D CB 1.294 42.126 40.800 0.053 0.000 1.067 168 D HN -0.229 nan 8.370 nan 0.000 0.492 169 V N 4.483 124.389 119.914 -0.012 0.000 2.469 169 V HA -0.266 4.046 4.120 0.320 0.000 0.251 169 V C 1.760 177.840 176.094 -0.022 0.000 1.064 169 V CA 1.417 63.685 62.300 -0.053 0.000 1.066 169 V CB -0.606 31.123 31.823 -0.157 0.000 0.667 169 V HN 0.550 nan 8.190 nan 0.000 0.461 170 F N 0.166 120.162 119.950 0.077 0.000 2.604 170 F HA -0.029 4.689 4.527 0.318 0.000 0.298 170 F C 2.092 177.892 175.800 -0.001 0.000 1.131 170 F CA 0.973 59.016 58.000 0.072 0.000 1.457 170 F CB -0.210 38.718 39.000 -0.120 0.000 1.095 170 F HN 0.269 nan 8.300 nan 0.000 0.574 171 E N -0.838 119.416 120.200 0.090 0.000 2.501 171 E HA 0.078 4.620 4.350 0.320 0.000 0.201 171 E C 0.412 176.957 176.600 -0.091 0.000 1.016 171 E CA -0.113 56.270 56.400 -0.027 0.000 0.920 171 E CB 0.261 29.944 29.700 -0.028 0.000 1.023 171 E HN 0.434 nan 8.360 nan 0.000 0.474 172 Q N 1.376 121.124 119.800 -0.087 0.000 2.212 172 Q HA 0.319 4.851 4.340 0.320 0.000 0.238 172 Q C -0.144 175.745 176.000 -0.184 0.000 0.955 172 Q CA -0.492 55.258 55.803 -0.089 0.000 0.906 172 Q CB 1.098 29.827 28.738 -0.015 0.000 1.215 172 Q HN 0.128 nan 8.270 nan 0.000 0.478 173 N N -1.253 117.401 118.700 -0.077 0.000 2.859 173 N HA 0.321 5.253 4.740 0.320 0.000 0.250 173 N C -0.981 174.579 175.510 0.084 0.000 1.341 173 N CA -0.601 52.467 53.050 0.031 0.000 0.881 173 N CB 1.032 39.522 38.487 0.006 0.000 1.516 173 N HN 0.620 nan 8.380 nan 0.000 0.503 174 G N -0.281 108.605 108.800 0.143 0.000 2.532 174 G HA2 0.262 4.414 3.960 0.320 0.000 0.291 174 G HA3 0.262 4.414 3.960 0.320 0.000 0.291 174 G C -0.537 174.423 174.900 0.101 0.000 1.349 174 G CA -0.352 44.807 45.100 0.098 0.000 1.038 174 G HN 0.607 nan 8.290 nan 0.000 0.518 175 D N -0.235 120.218 120.400 0.088 0.000 2.488 175 D HA 0.422 5.254 4.640 0.320 0.000 0.238 175 D C 0.592 176.961 176.300 0.116 0.000 1.138 175 D CA 0.922 54.985 54.000 0.105 0.000 0.873 175 D CB 1.200 42.059 40.800 0.098 0.000 1.183 175 D HN 0.547 nan 8.370 nan 0.000 0.458 176 G N -0.223 108.666 108.800 0.148 0.000 2.660 176 G HA2 0.615 4.767 3.960 0.320 0.000 0.294 176 G HA3 0.615 4.767 3.960 0.320 0.000 0.294 176 G C -1.312 173.673 174.900 0.142 0.000 1.369 176 G CA -0.543 44.636 45.100 0.130 0.000 0.912 176 G HN 0.332 nan 8.290 nan 0.000 0.479 177 V N -0.562 119.386 119.914 0.058 0.000 2.888 177 V HA 0.975 5.287 4.120 0.320 0.000 0.309 177 V C 0.378 176.428 176.094 -0.073 0.000 1.114 177 V CA -0.091 62.178 62.300 -0.051 0.000 0.940 177 V CB 1.746 33.533 31.823 -0.060 0.000 1.021 177 V HN 1.434 nan 8.190 nan 0.000 0.426 178 G N 0.732 109.458 108.800 -0.123 0.000 2.677 178 G HA2 0.816 4.968 3.960 0.320 0.000 0.291 178 G HA3 0.816 4.968 3.960 0.320 0.000 0.291 178 G C -0.835 174.017 174.900 -0.081 0.000 1.435 178 G CA -0.086 44.961 45.100 -0.089 0.000 0.826 178 G HN 1.193 nan 8.290 nan 0.000 0.491 179 G N -1.024 107.750 108.800 -0.043 0.000 2.690 179 G HA2 0.836 4.988 3.960 0.320 0.000 0.291 179 G HA3 0.836 4.988 3.960 0.320 0.000 0.291 179 G C -0.724 174.186 174.900 0.018 0.000 1.403 179 G CA 0.253 45.362 45.100 0.014 0.000 0.864 179 G HN 1.728 nan 8.290 nan 0.000 0.480 180 S N -0.624 115.118 115.700 0.070 0.000 2.541 180 S HA 0.803 5.465 4.470 0.320 0.000 0.271 180 S C -1.060 173.624 174.600 0.140 0.000 1.133 180 S CA -0.808 57.422 58.200 0.050 0.000 0.876 180 S CB 1.717 64.907 63.200 -0.017 0.000 1.105 180 S HN 0.789 nan 8.310 nan 0.000 0.470 181 I N 1.967 122.605 120.570 0.114 0.000 2.619 181 I HA 0.632 4.994 4.170 0.320 0.000 0.292 181 I C -0.753 175.463 176.117 0.164 0.000 1.100 181 I CA -0.699 60.710 61.300 0.181 0.000 1.043 181 I CB 2.468 40.551 38.000 0.140 0.000 1.239 181 I HN 0.954 nan 8.210 nan 0.000 0.420 182 T N 1.406 116.101 114.554 0.235 0.000 2.952 182 T HA 0.550 5.092 4.350 0.320 0.000 0.305 182 T C -1.492 173.418 174.700 0.350 0.000 1.064 182 T CA -0.767 61.513 62.100 0.301 0.000 1.008 182 T CB 2.109 71.182 68.868 0.343 0.000 1.078 182 T HN 0.474 nan 8.240 nan 0.000 0.459 183 Y N 2.474 122.909 120.300 0.224 0.000 2.338 183 Y HA 0.590 5.332 4.550 0.320 0.000 0.333 183 Y C -1.045 174.957 175.900 0.170 0.000 0.968 183 Y CA -1.217 56.986 58.100 0.171 0.000 1.123 183 Y CB 1.651 40.186 38.460 0.126 0.000 1.165 183 Y HN 0.797 nan 8.280 nan 0.000 0.452 184 N N 5.504 123.912 118.700 -0.486 0.000 2.354 184 N HA 0.237 5.169 4.740 0.320 0.000 0.287 184 N C -2.208 173.003 175.510 -0.499 0.000 1.016 184 N CA -0.460 52.368 53.050 -0.371 0.000 0.871 184 N CB 2.197 40.553 38.487 -0.220 0.000 1.299 184 N HN 0.671 nan 8.380 nan 0.000 0.482 185 Y N 1.512 121.573 120.300 -0.397 0.000 2.361 185 Y HA 0.115 4.856 4.550 0.320 0.000 0.328 185 Y C -0.095 175.812 175.900 0.012 0.000 1.044 185 Y CA -0.509 57.466 58.100 -0.208 0.000 1.085 185 Y CB 0.824 39.217 38.460 -0.111 0.000 1.194 185 Y HN 0.510 nan 8.280 nan 0.000 0.438 186 E N 4.354 124.241 120.200 -0.521 0.000 2.328 186 E HA -0.276 4.266 4.350 0.320 0.000 0.233 186 E C 1.075 177.562 176.600 -0.189 0.000 1.219 186 E CA 1.607 57.782 56.400 -0.375 0.000 0.717 186 E CB -1.304 28.145 29.700 -0.420 0.000 1.210 186 E HN 1.317 nan 8.360 nan 0.000 0.381 187 G N -1.217 107.413 108.800 -0.284 0.000 2.241 187 G HA2 -0.345 3.807 3.960 0.320 0.000 0.244 187 G HA3 -0.345 3.807 3.960 0.320 0.000 0.244 187 G C 0.144 174.723 174.900 -0.535 0.000 0.998 187 G CA 0.207 45.001 45.100 -0.511 0.000 0.621 187 G HN 0.232 nan 8.290 nan 0.000 0.519 188 F N 1.482 121.362 119.950 -0.117 0.000 2.384 188 F HA 0.589 5.308 4.527 0.320 0.000 0.338 188 F C 1.039 176.768 175.800 -0.118 0.000 1.103 188 F CA 0.415 58.406 58.000 -0.015 0.000 1.157 188 F CB 1.860 40.930 39.000 0.117 0.000 1.167 188 F HN 0.283 nan 8.300 nan 0.000 0.529 189 G N 3.653 112.473 108.800 0.034 0.000 2.687 189 G HA2 0.702 4.854 3.960 0.320 0.000 0.301 189 G HA3 0.702 4.854 3.960 0.320 0.000 0.301 189 G C -1.443 173.559 174.900 0.169 0.000 1.416 189 G CA -0.575 44.470 45.100 -0.093 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 1.004 121.786 120.570 0.355 0.000 2.646 190 I HA 0.872 5.234 4.170 0.320 0.000 0.299 190 I C 0.436 176.854 176.117 0.502 0.000 1.036 190 I CA -0.943 60.614 61.300 0.427 0.000 1.074 190 I CB 2.706 40.886 38.000 0.299 0.000 1.258 190 I HN 0.705 nan 8.210 nan 0.000 0.430 191 G N 2.822 111.820 108.800 0.330 0.000 2.632 191 G HA2 0.785 4.937 3.960 0.320 0.000 0.292 191 G HA3 0.785 4.937 3.960 0.320 0.000 0.292 191 G C -2.173 172.718 174.900 -0.015 0.000 1.465 191 G CA -0.521 44.643 45.100 0.107 0.000 0.824 191 G HN 0.877 nan 8.290 nan 0.000 0.509 192 A N -0.770 122.033 122.820 -0.028 0.000 2.549 192 A HA 1.070 5.582 4.320 0.320 0.000 0.297 192 A C -0.475 177.087 177.584 -0.037 0.000 1.061 192 A CA 0.023 52.052 52.037 -0.014 0.000 0.690 192 A CB 1.718 20.745 19.000 0.044 0.000 1.287 192 A HN 2.499 nan 8.150 nan 0.000 0.402 193 A N 0.678 123.474 122.820 -0.040 0.000 2.520 193 A HA 0.763 5.275 4.320 0.320 0.000 0.298 193 A C -1.364 176.194 177.584 -0.044 0.000 1.051 193 A CA -0.462 51.542 52.037 -0.055 0.000 0.690 193 A CB 1.481 20.411 19.000 -0.116 0.000 1.281 193 A HN 1.629 nan 8.150 nan 0.000 0.402 194 V N 1.422 121.298 119.914 -0.063 0.000 2.789 194 V HA 0.854 5.166 4.120 0.320 0.000 0.311 194 V C 0.001 175.997 176.094 -0.164 0.000 1.073 194 V CA -0.127 62.087 62.300 -0.142 0.000 0.921 194 V CB 2.050 33.833 31.823 -0.065 0.000 1.009 194 V HN 1.433 nan 8.190 nan 0.000 0.426 195 S N 1.669 117.221 115.700 -0.247 0.000 2.588 195 S HA 0.854 5.516 4.470 0.320 0.000 0.275 195 S C -0.836 173.636 174.600 -0.214 0.000 1.130 195 S CA -0.716 57.384 58.200 -0.168 0.000 0.855 195 S CB 2.105 65.248 63.200 -0.096 0.000 1.116 195 S HN 0.941 nan 8.310 nan 0.000 0.472 196 S N 0.946 116.568 115.700 -0.130 0.000 2.706 196 S HA 0.661 5.323 4.470 0.320 0.000 0.270 196 S C -1.404 173.152 174.600 -0.073 0.000 1.163 196 S CA -0.421 57.702 58.200 -0.128 0.000 1.042 196 S CB 0.804 63.946 63.200 -0.097 0.000 1.079 196 S HN 0.786 nan 8.310 nan 0.000 0.474 197 S N 3.744 119.371 115.700 -0.123 0.000 2.500 197 S HA 0.470 5.132 4.470 0.320 0.000 0.301 197 S C -0.530 174.005 174.600 -0.108 0.000 1.092 197 S CA -0.833 57.336 58.200 -0.052 0.000 1.030 197 S CB 1.581 64.816 63.200 0.058 0.000 1.031 197 S HN 0.740 nan 8.310 nan 0.000 0.483 198 K N 1.752 122.142 120.400 -0.016 0.000 2.382 198 K HA 0.207 4.719 4.320 0.320 0.000 0.275 198 K C -0.135 176.470 176.600 0.008 0.000 1.009 198 K CA -0.050 56.227 56.287 -0.017 0.000 0.970 198 K CB 0.494 33.009 32.500 0.025 0.000 0.934 198 K HN 0.500 nan 8.250 nan 0.000 0.479 199 R N 1.021 121.497 120.500 -0.039 0.000 2.457 199 R HA 0.144 4.676 4.340 0.320 0.000 0.284 199 R C 0.064 176.381 176.300 0.029 0.000 1.024 199 R CA -0.473 55.618 56.100 -0.014 0.000 1.025 199 R CB 1.371 31.574 30.300 -0.162 0.000 1.063 199 R HN 0.726 nan 8.270 nan 0.000 0.493 200 T N -2.131 112.455 114.554 0.054 0.000 2.816 200 T HA 0.037 4.579 4.350 0.320 0.000 0.282 200 T C 0.872 175.640 174.700 0.114 0.000 0.993 200 T CA -0.689 61.469 62.100 0.097 0.000 0.994 200 T CB 0.813 69.742 68.868 0.102 0.000 1.025 200 T HN 0.765 nan 8.240 nan 0.000 0.529 201 W N 0.918 122.221 121.300 0.006 0.000 2.355 201 W HA -0.049 4.802 4.660 0.319 0.000 0.309 201 W C 1.679 178.208 176.519 0.016 0.000 1.206 201 W CA 1.704 59.055 57.345 0.009 0.000 1.284 201 W CB -0.426 29.041 29.460 0.012 0.000 1.145 201 W HN 0.830 nan 8.180 nan 0.000 0.502 202 D N -0.364 120.194 120.400 0.263 0.000 2.123 202 D HA -0.250 4.582 4.640 0.320 0.000 0.196 202 D C 2.076 178.366 176.300 -0.017 0.000 0.992 202 D CA 1.772 55.850 54.000 0.130 0.000 0.833 202 D CB -0.576 40.319 40.800 0.158 0.000 0.954 202 D HN 0.349 nan 8.370 nan 0.000 0.455 203 Q N -0.404 119.399 119.800 0.004 0.000 2.167 203 Q HA -0.048 4.484 4.340 0.320 0.000 0.202 203 Q C 1.145 177.116 176.000 -0.049 0.000 0.970 203 Q CA 0.771 56.588 55.803 0.023 0.000 0.855 203 Q CB 0.120 28.802 28.738 -0.093 0.000 0.911 203 Q HN 0.226 nan 8.270 nan 0.000 0.438 204 N N -0.142 118.452 118.700 -0.176 0.000 2.280 204 N HA 0.034 4.966 4.740 0.320 0.000 0.192 204 N C 0.059 175.368 175.510 -0.335 0.000 1.109 204 N CA 0.382 53.298 53.050 -0.222 0.000 0.855 204 N CB 0.533 38.880 38.487 -0.233 0.000 0.974 204 N HN 0.190 nan 8.380 nan 0.000 0.482 205 N N -0.310 118.114 118.700 -0.461 0.000 2.377 205 N HA 0.056 4.988 4.740 0.320 0.000 0.259 205 N C -0.073 175.238 175.510 -0.332 0.000 1.332 205 N CA 0.231 52.919 53.050 -0.603 0.000 0.877 205 N CB 1.044 38.617 38.487 -1.524 0.000 1.299 205 N HN 0.119 nan 8.380 nan 0.000 0.501 206 T N -3.271 111.185 114.554 -0.163 0.000 3.266 206 T HA 0.320 4.862 4.350 0.320 0.000 0.278 206 T C 1.131 175.809 174.700 -0.037 0.000 1.010 206 T CA 0.120 62.177 62.100 -0.070 0.000 0.909 206 T CB 0.382 69.225 68.868 -0.041 0.000 1.122 206 T HN 0.178 nan 8.240 nan 0.000 0.536 207 G N 1.560 110.337 108.800 -0.038 0.000 2.160 207 G HA2 -0.226 3.926 3.960 0.320 0.000 0.251 207 G HA3 -0.226 3.926 3.960 0.320 0.000 0.251 207 G C -0.067 174.850 174.900 0.028 0.000 1.008 207 G CA 0.302 45.400 45.100 -0.004 0.000 0.724 207 G HN 0.671 nan 8.290 nan 0.000 0.514 208 L N 0.401 121.652 121.223 0.047 0.000 2.439 208 L HA 0.668 5.200 4.340 0.320 0.000 0.259 208 L C 1.622 178.585 176.870 0.154 0.000 1.129 208 L CA -1.259 53.633 54.840 0.087 0.000 0.803 208 L CB 0.800 42.885 42.059 0.043 0.000 1.161 208 L HN 0.343 nan 8.230 nan 0.000 0.462 209 I N -1.323 119.355 120.570 0.180 0.000 2.823 209 I HA 0.534 4.896 4.170 0.320 0.000 0.290 209 I C 0.907 177.217 176.117 0.322 0.000 1.091 209 I CA -0.231 61.199 61.300 0.216 0.000 1.365 209 I CB 0.725 38.857 38.000 0.220 0.000 1.427 209 I HN 0.764 nan 8.210 nan 0.000 0.583 210 G N 2.817 111.778 108.800 0.268 0.000 2.289 210 G HA2 -0.200 3.952 3.960 0.320 0.000 0.280 210 G HA3 -0.200 3.952 3.960 0.320 0.000 0.280 210 G C 0.044 175.074 174.900 0.218 0.000 1.089 210 G CA 0.215 45.487 45.100 0.286 0.000 0.939 210 G HN 1.270 nan 8.290 nan 0.000 0.499 211 T N -1.871 112.758 114.554 0.125 0.000 2.881 211 T HA 0.970 5.512 4.350 0.320 0.000 0.278 211 T C 0.715 175.399 174.700 -0.027 0.000 0.982 211 T CA 0.183 62.289 62.100 0.009 0.000 0.989 211 T CB 2.840 71.710 68.868 0.003 0.000 1.058 211 T HN 2.147 nan 8.240 nan 0.000 0.529 212 G N -0.244 108.508 108.800 -0.080 0.000 2.337 212 G HA2 0.174 4.326 3.960 0.320 0.000 0.298 212 G HA3 0.174 4.326 3.960 0.320 0.000 0.298 212 G C -0.091 174.749 174.900 -0.100 0.000 1.335 212 G CA -0.112 44.947 45.100 -0.069 0.000 0.875 212 G HN 0.628 nan 8.290 nan 0.000 0.579 213 D N -0.414 119.941 120.400 -0.075 0.000 2.178 213 D HA -0.018 4.814 4.640 0.320 0.000 0.201 213 D C 0.693 176.932 176.300 -0.101 0.000 0.980 213 D CA 1.011 54.971 54.000 -0.067 0.000 0.842 213 D CB 0.216 40.991 40.800 -0.042 0.000 0.948 213 D HN 0.362 nan 8.370 nan 0.000 0.472 214 R N -0.950 119.466 120.500 -0.140 0.000 2.698 214 R HA 0.609 5.141 4.340 0.320 0.000 0.275 214 R C -1.089 175.040 176.300 -0.284 0.000 1.001 214 R CA -0.724 55.263 56.100 -0.189 0.000 0.896 214 R CB 2.362 32.584 30.300 -0.131 0.000 1.218 214 R HN -0.137 nan 8.270 nan 0.000 0.462 215 A N 2.235 124.768 122.820 -0.478 0.000 2.276 215 A HA 0.498 5.010 4.320 0.320 0.000 0.316 215 A C -0.669 176.678 177.584 -0.394 0.000 1.229 215 A CA -0.429 51.227 52.037 -0.635 0.000 0.851 215 A CB 0.734 18.762 19.000 -1.619 0.000 1.165 215 A HN 0.723 nan 8.150 nan 0.000 0.513 216 E N 0.687 120.768 120.200 -0.198 0.000 2.293 216 E HA 0.615 5.157 4.350 0.320 0.000 0.270 216 E C -0.931 175.592 176.600 -0.129 0.000 0.879 216 E CA -0.726 55.573 56.400 -0.168 0.000 0.756 216 E CB 2.481 32.134 29.700 -0.078 0.000 1.208 216 E HN 0.733 nan 8.360 nan 0.000 0.428 217 T N -0.638 113.695 114.554 -0.368 0.000 2.912 217 T HA 0.609 5.151 4.350 0.320 0.000 0.299 217 T C -1.395 172.949 174.700 -0.594 0.000 1.052 217 T CA -0.688 61.239 62.100 -0.289 0.000 0.996 217 T CB 0.613 69.396 68.868 -0.140 0.000 1.070 217 T HN 0.370 nan 8.240 nan 0.000 0.465 218 Y N 0.553 120.874 120.300 0.036 0.000 2.373 218 Y HA 0.626 5.368 4.550 0.321 0.000 0.336 218 Y C 0.219 176.119 175.900 -0.001 0.000 0.979 218 Y CA -0.861 57.259 58.100 0.033 0.000 1.080 218 Y CB 2.764 41.274 38.460 0.084 0.000 1.190 218 Y HN 0.778 nan 8.280 nan 0.000 0.446 219 T N 2.263 116.880 114.554 0.105 0.000 2.881 219 T HA 0.695 5.237 4.350 0.320 0.000 0.290 219 T C -0.107 174.628 174.700 0.059 0.000 1.000 219 T CA -0.901 61.218 62.100 0.032 0.000 0.978 219 T CB 1.640 70.463 68.868 -0.074 0.000 0.997 219 T HN 0.880 nan 8.240 nan 0.000 0.443 220 G N 0.547 109.415 108.800 0.113 0.000 2.482 220 G HA2 0.777 4.928 3.960 0.320 0.000 0.317 220 G HA3 0.777 4.928 3.960 0.320 0.000 0.317 220 G C -0.664 174.296 174.900 0.099 0.000 1.241 220 G CA -0.876 44.292 45.100 0.113 0.000 0.967 220 G HN 0.951 nan 8.290 nan 0.000 0.482 221 G N -0.638 108.210 108.800 0.079 0.000 2.720 221 G HA2 0.633 4.785 3.960 0.320 0.000 0.295 221 G HA3 0.633 4.785 3.960 0.320 0.000 0.295 221 G C -1.570 173.549 174.900 0.364 0.000 1.437 221 G CA -0.644 44.535 45.100 0.132 0.000 0.886 221 G HN 0.697 nan 8.290 nan 0.000 0.509 222 L N 0.377 121.869 121.223 0.449 0.000 2.434 222 L HA 0.766 5.298 4.340 0.320 0.000 0.260 222 L C -0.535 176.485 176.870 0.251 0.000 0.983 222 L CA -0.986 54.084 54.840 0.385 0.000 0.820 222 L CB 3.019 45.224 42.059 0.244 0.000 1.361 222 L HN 0.848 nan 8.230 nan 0.000 0.410 223 K N 1.158 121.560 120.400 0.004 0.000 2.562 223 K HA 0.515 5.026 4.320 0.320 0.000 0.267 223 K C -2.131 174.314 176.600 -0.259 0.000 0.938 223 K CA -0.930 55.191 56.287 -0.277 0.000 0.840 223 K CB 2.388 34.493 32.500 -0.658 0.000 1.390 223 K HN 0.399 nan 8.250 nan 0.000 0.428 224 Y N 1.649 121.654 120.300 -0.492 0.000 2.350 224 Y HA 0.423 5.165 4.550 0.320 0.000 0.338 224 Y C -1.590 173.969 175.900 -0.568 0.000 0.961 224 Y CA -0.629 57.143 58.100 -0.547 0.000 1.100 224 Y CB 2.037 40.198 38.460 -0.499 0.000 1.179 224 Y HN 0.866 nan 8.280 nan 0.000 0.454 225 D N 5.101 124.871 120.400 -1.050 0.000 2.429 225 D HA 0.634 5.465 4.640 0.320 0.000 0.255 225 D C -1.497 174.360 176.300 -0.739 0.000 1.257 225 D CA 0.150 53.756 54.000 -0.657 0.000 0.890 225 D CB 0.353 40.946 40.800 -0.345 0.000 1.267 225 D HN 0.815 nan 8.370 nan 0.000 0.521 226 A N 2.058 124.377 122.820 -0.835 0.000 2.564 226 A HA 0.554 5.066 4.320 0.320 0.000 0.291 226 A C -0.307 177.094 177.584 -0.304 0.000 1.102 226 A CA -0.731 50.974 52.037 -0.555 0.000 0.660 226 A CB 0.660 19.291 19.000 -0.616 0.000 1.283 226 A HN 0.213 nan 8.150 nan 0.000 0.430 227 N N 1.443 120.037 118.700 -0.176 0.000 2.708 227 N HA -0.226 4.706 4.740 0.320 0.000 0.251 227 N C 0.171 175.623 175.510 -0.096 0.000 1.017 227 N CA 1.350 54.355 53.050 -0.075 0.000 0.742 227 N CB -0.952 37.554 38.487 0.032 0.000 0.943 227 N HN 0.824 nan 8.380 nan 0.000 0.539 228 N N -2.315 116.255 118.700 -0.217 0.000 2.857 228 N HA -0.229 4.703 4.740 0.320 0.000 0.242 228 N C -0.105 175.176 175.510 -0.381 0.000 0.983 228 N CA 1.388 54.195 53.050 -0.404 0.000 0.934 228 N CB -1.109 36.981 38.487 -0.661 0.000 1.115 228 N HN 0.604 nan 8.380 nan 0.000 0.593 229 I N 0.513 121.024 120.570 -0.098 0.000 2.359 229 I HA 0.255 4.617 4.170 0.320 0.000 0.294 229 I C -0.221 175.921 176.117 0.041 0.000 0.987 229 I CA -0.754 60.595 61.300 0.082 0.000 1.225 229 I CB 1.138 39.281 38.000 0.238 0.000 1.366 229 I HN -0.035 nan 8.210 nan 0.000 0.466 230 Y N 7.228 127.498 120.300 -0.049 0.000 2.338 230 Y HA 0.643 5.386 4.550 0.321 0.000 0.328 230 Y C -1.373 174.527 175.900 -0.001 0.000 0.965 230 Y CA -0.619 57.432 58.100 -0.081 0.000 1.208 230 Y CB 1.051 39.441 38.460 -0.117 0.000 1.132 230 Y HN 0.369 nan 8.280 nan 0.000 0.469 231 L N 5.792 126.785 121.223 -0.384 0.000 2.365 231 L HA 0.988 5.520 4.340 0.320 0.000 0.273 231 L C -0.723 175.885 176.870 -0.436 0.000 1.000 231 L CA -0.962 53.739 54.840 -0.231 0.000 0.819 231 L CB 1.912 43.936 42.059 -0.058 0.000 1.284 231 L HN 0.737 nan 8.230 nan 0.000 0.418 232 A N 2.490 125.193 122.820 -0.195 0.000 2.604 232 A HA 0.950 5.462 4.320 0.320 0.000 0.295 232 A C -1.609 176.000 177.584 0.041 0.000 1.067 232 A CA -0.288 51.696 52.037 -0.088 0.000 0.683 232 A CB 1.963 20.933 19.000 -0.049 0.000 1.281 232 A HN 0.811 nan 8.150 nan 0.000 0.407 233 A N 0.971 123.852 122.820 0.100 0.000 2.520 233 A HA 0.802 5.314 4.320 0.320 0.000 0.298 233 A C -1.031 176.616 177.584 0.106 0.000 1.051 233 A CA -0.333 51.735 52.037 0.051 0.000 0.690 233 A CB 1.626 20.723 19.000 0.162 0.000 1.281 233 A HN 1.924 nan 8.150 nan 0.000 0.402 234 Q N 0.482 120.278 119.800 -0.007 0.000 2.331 234 Q HA 0.688 5.220 4.340 0.320 0.000 0.272 234 Q C -1.700 174.413 176.000 0.188 0.000 1.062 234 Q CA -0.618 55.232 55.803 0.078 0.000 0.806 234 Q CB 1.730 30.465 28.738 -0.006 0.000 1.312 234 Q HN 0.844 nan 8.270 nan 0.000 0.431 235 Y N 1.282 121.688 120.300 0.176 0.000 2.350 235 Y HA 0.725 5.467 4.550 0.321 0.000 0.338 235 Y C -1.300 174.684 175.900 0.141 0.000 0.961 235 Y CA -0.377 57.870 58.100 0.245 0.000 1.100 235 Y CB 2.348 40.972 38.460 0.274 0.000 1.179 235 Y HN 0.829 nan 8.280 nan 0.000 0.454 236 T N 6.324 120.529 114.554 -0.581 0.000 2.881 236 T HA 0.290 4.832 4.350 0.320 0.000 0.290 236 T C -1.346 173.001 174.700 -0.589 0.000 1.000 236 T CA -0.701 61.156 62.100 -0.405 0.000 0.978 236 T CB 1.499 70.269 68.868 -0.163 0.000 0.997 236 T HN 0.644 nan 8.240 nan 0.000 0.443 237 Q N 2.161 121.800 119.800 -0.268 0.000 2.322 237 Q HA 0.617 5.149 4.340 0.320 0.000 0.265 237 Q C -0.540 175.461 176.000 0.001 0.000 0.985 237 Q CA -0.634 55.089 55.803 -0.133 0.000 0.849 237 Q CB 1.046 29.837 28.738 0.089 0.000 1.274 237 Q HN 0.816 nan 8.270 nan 0.000 0.449 238 T N 0.374 114.828 114.554 -0.167 0.000 2.908 238 T HA 0.621 5.163 4.350 0.320 0.000 0.290 238 T C -1.165 173.335 174.700 -0.334 0.000 1.034 238 T CA -0.509 61.538 62.100 -0.089 0.000 1.010 238 T CB 0.874 69.729 68.868 -0.022 0.000 1.068 238 T HN 0.407 nan 8.240 nan 0.000 0.481 239 Y N 1.101 121.420 120.300 0.032 0.000 2.346 239 Y HA 0.444 5.186 4.550 0.320 0.000 0.332 239 Y C 0.578 176.441 175.900 -0.062 0.000 0.985 239 Y CA -1.187 56.922 58.100 0.016 0.000 1.112 239 Y CB 1.476 39.954 38.460 0.030 0.000 1.170 239 Y HN 0.796 nan 8.280 nan 0.000 0.447 240 N N 0.930 119.683 118.700 0.088 0.000 2.708 240 N HA -0.239 4.692 4.740 0.320 0.000 0.249 240 N C 0.342 175.752 175.510 -0.166 0.000 1.097 240 N CA 1.143 54.175 53.050 -0.031 0.000 0.710 240 N CB -0.934 37.461 38.487 -0.154 0.000 1.032 240 N HN 0.824 nan 8.380 nan 0.000 0.551 241 A N -1.783 121.070 122.820 0.056 0.000 2.048 241 A HA 0.208 4.720 4.320 0.320 0.000 0.197 241 A C 0.731 178.589 177.584 0.456 0.000 1.486 241 A CA 0.594 52.707 52.037 0.127 0.000 1.029 241 A CB 0.488 19.494 19.000 0.009 0.000 1.101 241 A HN 0.155 nan 8.150 nan 0.000 0.470 242 T N 1.556 116.339 114.554 0.381 0.000 2.744 242 T HA 0.388 4.930 4.350 0.320 0.000 0.291 242 T C 0.033 174.956 174.700 0.371 0.000 0.957 242 T CA -0.350 61.947 62.100 0.329 0.000 1.002 242 T CB 0.951 69.928 68.868 0.182 0.000 0.919 242 T HN 0.418 nan 8.240 nan 0.000 0.468 243 R N 2.659 123.321 120.500 0.269 0.000 2.491 243 R HA 0.329 4.861 4.340 0.320 0.000 0.283 243 R C -0.888 175.394 176.300 -0.030 0.000 1.072 243 R CA -0.207 55.910 56.100 0.029 0.000 1.048 243 R CB 0.350 30.559 30.300 -0.151 0.000 0.983 243 R HN 0.407 nan 8.270 nan 0.000 0.450 244 V N 6.106 125.972 119.914 -0.078 0.000 2.225 244 V HA 0.276 4.588 4.120 0.320 0.000 0.264 244 V C 1.078 177.044 176.094 -0.213 0.000 1.067 244 V CA 0.273 62.542 62.300 -0.052 0.000 0.903 244 V CB -0.033 31.841 31.823 0.086 0.000 1.136 244 V HN 1.206 nan 8.190 nan 0.000 0.456 245 G N 4.076 112.709 108.800 -0.279 0.000 2.611 245 G HA2 -0.351 3.800 3.960 0.320 0.000 0.301 245 G HA3 -0.351 3.800 3.960 0.320 0.000 0.301 245 G C 1.138 175.777 174.900 -0.436 0.000 1.233 245 G CA 0.766 45.661 45.100 -0.341 0.000 0.993 245 G HN 1.223 nan 8.290 nan 0.000 0.553 246 S N 0.025 115.533 115.700 -0.321 0.000 2.593 246 S HA 0.364 5.026 4.470 0.320 0.000 0.217 246 S C 2.251 176.807 174.600 -0.073 0.000 0.966 246 S CA 1.055 59.114 58.200 -0.234 0.000 0.914 246 S CB 0.208 63.319 63.200 -0.148 0.000 0.776 246 S HN 0.578 nan 8.310 nan 0.000 0.523 247 L N 0.845 122.011 121.223 -0.095 0.000 2.240 247 L HA 0.315 4.847 4.340 0.320 0.000 0.211 247 L C 1.679 178.586 176.870 0.062 0.000 1.106 247 L CA 0.785 55.626 54.840 0.000 0.000 0.793 247 L CB -0.631 41.421 42.059 -0.012 0.000 0.927 247 L HN 0.675 nan 8.230 nan 0.000 0.446 248 G N -1.965 106.866 108.800 0.050 0.000 2.295 248 G HA2 -0.083 4.069 3.960 0.320 0.000 0.155 248 G HA3 -0.083 4.069 3.960 0.320 0.000 0.155 248 G C -1.716 173.120 174.900 -0.106 0.000 1.307 248 G CA -0.692 44.359 45.100 -0.081 0.000 1.140 248 G HN -0.029 nan 8.290 nan 0.000 0.470 249 W N 0.339 121.790 121.300 0.251 0.000 2.894 249 W HA 0.723 5.574 4.660 0.318 0.000 0.345 249 W C 0.239 176.849 176.519 0.152 0.000 1.152 249 W CA -0.342 57.133 57.345 0.217 0.000 1.089 249 W CB 1.963 31.555 29.460 0.219 0.000 1.454 249 W HN 0.967 nan 8.180 nan 0.000 0.589 250 A N 1.714 124.752 122.820 0.362 0.000 2.289 250 A HA 0.202 4.714 4.320 0.320 0.000 0.298 250 A C 0.931 178.616 177.584 0.168 0.000 1.208 250 A CA -0.385 51.779 52.037 0.211 0.000 0.845 250 A CB 0.265 19.345 19.000 0.134 0.000 1.125 250 A HN 0.654 nan 8.150 nan 0.000 0.517 251 N N 1.020 119.807 118.700 0.145 0.000 2.094 251 N HA -0.134 4.798 4.740 0.320 0.000 0.191 251 N C 0.469 176.028 175.510 0.081 0.000 1.023 251 N CA 1.557 54.683 53.050 0.127 0.000 0.857 251 N CB -0.021 38.537 38.487 0.118 0.000 1.013 251 N HN 0.769 nan 8.380 nan 0.000 0.426 252 K N -0.407 119.987 120.400 -0.009 0.000 2.501 252 K HA 0.579 5.091 4.320 0.320 0.000 0.252 252 K C -1.952 174.567 176.600 -0.134 0.000 0.934 252 K CA -0.552 55.606 56.287 -0.214 0.000 0.797 252 K CB 2.195 34.569 32.500 -0.211 0.000 1.270 252 K HN -0.026 nan 8.250 nan 0.000 0.431 253 A N 3.417 126.126 122.820 -0.185 0.000 2.414 253 A HA 0.470 4.982 4.320 0.320 0.000 0.306 253 A C -1.521 175.995 177.584 -0.114 0.000 1.054 253 A CA -0.721 51.264 52.037 -0.087 0.000 0.724 253 A CB 1.682 20.671 19.000 -0.019 0.000 1.267 253 A HN 0.707 nan 8.150 nan 0.000 0.418 254 Q N 1.800 121.574 119.800 -0.044 0.000 2.368 254 Q HA 0.374 4.906 4.340 0.320 0.000 0.263 254 Q C -1.173 174.825 176.000 -0.003 0.000 1.009 254 Q CA -0.714 55.076 55.803 -0.022 0.000 0.818 254 Q CB 1.604 30.434 28.738 0.154 0.000 1.239 254 Q HN 0.681 nan 8.270 nan 0.000 0.464 255 N N 2.437 121.054 118.700 -0.139 0.000 2.372 255 N HA 0.517 5.449 4.740 0.320 0.000 0.291 255 N C -1.526 174.039 175.510 0.093 0.000 1.024 255 N CA -0.299 52.737 53.050 -0.022 0.000 0.873 255 N CB 1.541 40.007 38.487 -0.035 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.720 120.692 119.950 0.037 0.000 2.581 256 F HA 0.416 5.136 4.527 0.321 0.000 0.311 256 F C -1.052 174.780 175.800 0.052 0.000 1.113 256 F CA -0.605 57.476 58.000 0.135 0.000 0.935 256 F CB 1.628 40.788 39.000 0.267 0.000 1.232 256 F HN 0.347 nan 8.300 nan 0.000 0.445 257 E N 4.351 124.089 120.200 -0.769 0.000 2.290 257 E HA 0.754 5.296 4.350 0.320 0.000 0.274 257 E C -1.576 174.571 176.600 -0.754 0.000 0.889 257 E CA -1.232 54.815 56.400 -0.588 0.000 0.760 257 E CB 2.193 31.749 29.700 -0.241 0.000 1.206 257 E HN 0.733 nan 8.360 nan 0.000 0.419 258 A N 1.873 124.431 122.820 -0.436 0.000 2.475 258 A HA 0.800 5.312 4.320 0.320 0.000 0.301 258 A C -1.225 176.357 177.584 -0.004 0.000 1.059 258 A CA -0.648 51.276 52.037 -0.187 0.000 0.710 258 A CB 1.585 20.570 19.000 -0.024 0.000 1.288 258 A HN 0.290 nan 8.150 nan 0.000 0.408 259 V N 0.014 119.960 119.914 0.054 0.000 2.851 259 V HA 0.803 5.115 4.120 0.320 0.000 0.307 259 V C -0.101 176.068 176.094 0.126 0.000 1.129 259 V CA -0.243 62.124 62.300 0.111 0.000 0.932 259 V CB 1.597 33.523 31.823 0.171 0.000 1.024 259 V HN 1.689 nan 8.190 nan 0.000 0.426 260 A N 3.875 126.775 122.820 0.134 0.000 2.356 260 A HA 0.922 5.434 4.320 0.320 0.000 0.310 260 A C -0.864 176.813 177.584 0.155 0.000 1.075 260 A CA -0.547 51.569 52.037 0.132 0.000 0.746 260 A CB 1.802 20.860 19.000 0.098 0.000 1.221 260 A HN 0.809 nan 8.150 nan 0.000 0.443 261 Q N 0.220 120.127 119.800 0.179 0.000 2.379 261 Q HA 0.529 5.061 4.340 0.320 0.000 0.278 261 Q C -2.115 173.984 176.000 0.165 0.000 1.068 261 Q CA -0.618 55.281 55.803 0.160 0.000 0.816 261 Q CB 2.979 31.796 28.738 0.131 0.000 1.387 261 Q HN 0.743 nan 8.270 nan 0.000 0.413 262 Y N 0.848 121.124 120.300 -0.040 0.000 2.492 262 Y HA 0.353 5.095 4.550 0.320 0.000 0.346 262 Y C -1.378 174.392 175.900 -0.217 0.000 0.997 262 Y CA -0.630 57.368 58.100 -0.170 0.000 1.025 262 Y CB 2.242 40.527 38.460 -0.291 0.000 1.263 262 Y HN 0.551 nan 8.280 nan 0.000 0.454 263 Q N 5.039 124.260 119.800 -0.965 0.000 2.413 263 Q HA 0.413 4.945 4.340 0.320 0.000 0.258 263 Q C -1.948 173.568 176.000 -0.808 0.000 1.037 263 Q CA -0.345 55.076 55.803 -0.637 0.000 0.764 263 Q CB 0.198 28.653 28.738 -0.472 0.000 1.217 263 Q HN 0.535 nan 8.270 nan 0.000 0.490 264 F N 2.477 122.207 119.950 -0.366 0.000 2.529 264 F HA 0.056 4.774 4.527 0.319 0.000 0.365 264 F C 1.340 176.902 175.800 -0.397 0.000 1.102 264 F CA 0.081 57.885 58.000 -0.328 0.000 1.271 264 F CB 0.697 39.314 39.000 -0.637 0.000 1.120 264 F HN 0.622 nan 8.300 nan 0.000 0.579 265 D N 2.279 122.675 120.400 -0.006 0.000 2.170 265 D HA -0.292 4.540 4.640 0.320 0.000 0.193 265 D C 1.941 178.266 176.300 0.042 0.000 1.004 265 D CA 1.977 55.987 54.000 0.016 0.000 0.860 265 D CB -0.413 40.456 40.800 0.115 0.000 0.931 265 D HN 0.588 nan 8.370 nan 0.000 0.448 266 F N -2.120 117.923 119.950 0.156 0.000 2.699 266 F HA 0.275 4.993 4.527 0.320 0.000 0.298 266 F C 1.599 177.471 175.800 0.120 0.000 1.154 266 F CA 0.758 58.841 58.000 0.139 0.000 1.457 266 F CB 0.014 39.105 39.000 0.151 0.000 1.106 266 F HN 0.013 nan 8.300 nan 0.000 0.585 267 G N 0.484 109.132 108.800 -0.254 0.000 2.480 267 G HA2 -0.175 3.977 3.960 0.320 0.000 0.193 267 G HA3 -0.175 3.977 3.960 0.320 0.000 0.193 267 G C -0.360 174.401 174.900 -0.231 0.000 1.004 267 G CA -0.199 44.722 45.100 -0.298 0.000 0.696 267 G HN 0.383 nan 8.290 nan 0.000 0.478 268 L N 1.877 122.992 121.223 -0.180 0.000 2.367 268 L HA 0.765 5.297 4.340 0.320 0.000 0.275 268 L C 0.601 177.560 176.870 0.148 0.000 1.129 268 L CA -0.286 54.618 54.840 0.108 0.000 0.839 268 L CB 0.853 43.041 42.059 0.215 0.000 1.133 268 L HN 0.265 nan 8.230 nan 0.000 0.453 269 R N 6.124 126.727 120.500 0.171 0.000 2.487 269 R HA 0.480 5.012 4.340 0.320 0.000 0.288 269 R C -2.631 173.772 176.300 0.172 0.000 1.394 269 R CA -1.680 54.513 56.100 0.155 0.000 1.155 269 R CB 0.958 31.355 30.300 0.161 0.000 1.156 269 R HN 0.451 nan 8.270 nan 0.000 0.553 270 P HA 0.089 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 -0.227 63.002 63.100 0.215 0.000 0.784 270 P CB 1.420 33.288 31.700 0.281 0.000 0.923 271 S N 1.256 117.044 115.700 0.147 0.000 2.572 271 S HA 0.663 5.325 4.470 0.320 0.000 0.274 271 S C -1.792 172.890 174.600 0.136 0.000 1.150 271 S CA -0.521 57.757 58.200 0.129 0.000 0.944 271 S CB 0.219 63.480 63.200 0.102 0.000 1.071 271 S HN 0.297 nan 8.310 nan 0.000 0.479 272 L N 4.321 125.622 121.223 0.131 0.000 2.410 272 L HA 0.980 5.511 4.340 0.320 0.000 0.270 272 L C -0.687 176.260 176.870 0.130 0.000 0.983 272 L CA 0.040 54.957 54.840 0.128 0.000 0.822 272 L CB 1.489 43.617 42.059 0.115 0.000 1.285 272 L HN 0.846 nan 8.230 nan 0.000 0.409 273 A N 3.780 126.682 122.820 0.138 0.000 2.587 273 A HA 0.752 5.264 4.320 0.320 0.000 0.293 273 A C -2.294 175.377 177.584 0.146 0.000 1.087 273 A CA -0.471 51.641 52.037 0.126 0.000 0.692 273 A CB 1.367 20.431 19.000 0.105 0.000 1.291 273 A HN 0.720 nan 8.150 nan 0.000 0.407 274 Y N 0.689 120.961 120.300 -0.046 0.000 2.421 274 Y HA 0.706 5.449 4.550 0.321 0.000 0.339 274 Y C -1.909 173.870 175.900 -0.201 0.000 0.996 274 Y CA -0.943 57.105 58.100 -0.087 0.000 1.046 274 Y CB 1.549 40.023 38.460 0.025 0.000 1.226 274 Y HN 0.623 nan 8.280 nan 0.000 0.445 275 L N 5.359 125.964 121.223 -1.030 0.000 2.401 275 L HA 0.628 5.160 4.340 0.320 0.000 0.266 275 L C -1.037 175.289 176.870 -0.907 0.000 0.991 275 L CA -0.508 53.809 54.840 -0.871 0.000 0.818 275 L CB 2.445 43.963 42.059 -0.902 0.000 1.321 275 L HN 0.690 nan 8.230 nan 0.000 0.413 276 Q N 0.956 120.491 119.800 -0.441 0.000 2.295 276 Q HA 0.589 5.121 4.340 0.320 0.000 0.268 276 Q C -1.732 174.242 176.000 -0.043 0.000 1.010 276 Q CA -0.341 55.334 55.803 -0.213 0.000 0.856 276 Q CB 2.431 31.156 28.738 -0.021 0.000 1.349 276 Q HN 0.562 nan 8.270 nan 0.000 0.412 277 S N 3.194 118.879 115.700 -0.026 0.000 2.707 277 S HA 0.463 5.125 4.470 0.320 0.000 0.312 277 S C -1.352 173.263 174.600 0.025 0.000 1.116 277 S CA -0.575 57.633 58.200 0.014 0.000 1.078 277 S CB 0.563 63.771 63.200 0.014 0.000 0.997 277 S HN 0.429 nan 8.310 nan 0.000 0.477 278 K N 3.380 123.799 120.400 0.032 0.000 2.316 278 K HA 0.372 4.883 4.320 0.320 0.000 0.267 278 K C 0.361 176.958 176.600 -0.005 0.000 1.025 278 K CA -0.551 55.746 56.287 0.016 0.000 0.896 278 K CB 1.443 33.966 32.500 0.038 0.000 1.124 278 K HN 0.678 nan 8.250 nan 0.000 0.451 279 G N 3.319 112.098 108.800 -0.034 0.000 2.370 279 G HA2 0.167 4.319 3.960 0.320 0.000 0.272 279 G HA3 0.167 4.319 3.960 0.320 0.000 0.272 279 G C -0.301 174.570 174.900 -0.048 0.000 1.208 279 G CA -0.449 44.629 45.100 -0.036 0.000 0.856 279 G HN 0.306 nan 8.290 nan 0.000 0.500 280 K N 1.704 122.092 120.400 -0.020 0.000 2.207 280 K HA 0.228 4.740 4.320 0.320 0.000 0.255 280 K C 0.292 176.903 176.600 0.018 0.000 0.941 280 K CA -1.140 55.142 56.287 -0.008 0.000 0.825 280 K CB 1.542 34.040 32.500 -0.004 0.000 1.119 280 K HN 0.621 nan 8.250 nan 0.000 0.430 281 N N 2.034 120.747 118.700 0.022 0.000 2.678 281 N HA -0.205 4.727 4.740 0.320 0.000 0.268 281 N C 0.109 175.661 175.510 0.071 0.000 1.010 281 N CA 0.201 53.277 53.050 0.044 0.000 0.784 281 N CB -0.914 37.601 38.487 0.048 0.000 0.905 281 N HN 0.638 nan 8.380 nan 0.000 0.552 282 L N -0.212 121.063 121.223 0.087 0.000 2.156 282 L HA 0.146 4.678 4.340 0.320 0.000 0.208 282 L C 1.712 178.687 176.870 0.175 0.000 1.095 282 L CA 0.835 55.759 54.840 0.140 0.000 0.770 282 L CB -0.750 41.403 42.059 0.158 0.000 0.914 282 L HN 0.718 nan 8.230 nan 0.000 0.439 283 G N -0.571 108.321 108.800 0.153 0.000 2.661 283 G HA2 -0.215 3.937 3.960 0.320 0.000 0.685 283 G HA3 -0.215 3.937 3.960 0.320 0.000 0.685 283 G C 0.182 175.162 174.900 0.134 0.000 1.298 283 G CA -0.196 44.979 45.100 0.125 0.000 0.855 283 G HN 0.261 nan 8.290 nan 0.000 0.560 284 R N -0.904 119.624 120.500 0.047 0.000 3.651 284 R HA -0.120 4.412 4.340 0.320 0.000 0.292 284 R C 1.554 177.688 176.300 -0.276 0.000 1.161 284 R CA 2.299 58.371 56.100 -0.046 0.000 0.787 284 R CB -1.553 28.786 30.300 0.065 0.000 1.249 284 R HN 2.948 nan 8.270 nan 0.000 0.476 285 G N -1.830 106.864 108.800 -0.178 0.000 2.162 285 G HA2 -0.369 3.783 3.960 0.320 0.000 0.260 285 G HA3 -0.369 3.783 3.960 0.320 0.000 0.260 285 G C 0.139 174.910 174.900 -0.216 0.000 0.976 285 G CA 0.571 45.541 45.100 -0.216 0.000 0.655 285 G HN 0.437 nan 8.290 nan 0.000 0.533 286 Y N 0.217 120.546 120.300 0.047 0.000 2.476 286 Y HA 0.192 4.934 4.550 0.320 0.000 0.283 286 Y C 1.984 177.853 175.900 -0.052 0.000 1.109 286 Y CA 0.047 58.159 58.100 0.020 0.000 1.246 286 Y CB 0.139 38.642 38.460 0.072 0.000 1.068 286 Y HN 0.306 nan 8.280 nan 0.000 0.552 287 D N -0.297 120.168 120.400 0.109 0.000 3.996 287 D HA -0.252 4.580 4.640 0.320 0.000 0.140 287 D C -0.696 175.600 176.300 -0.008 0.000 0.829 287 D CA 1.754 55.777 54.000 0.039 0.000 1.111 287 D CB -1.086 39.726 40.800 0.021 0.000 0.516 287 D HN 0.161 nan 8.370 nan 0.000 0.517 288 D N 2.463 122.837 120.400 -0.043 0.000 2.233 288 D HA 0.523 5.355 4.640 0.320 0.000 0.240 288 D C -0.055 176.136 176.300 -0.182 0.000 1.074 288 D CA 0.170 54.116 54.000 -0.089 0.000 0.838 288 D CB 1.159 41.929 40.800 -0.050 0.000 1.124 288 D HN 0.114 nan 8.370 nan 0.000 0.475 289 E N 1.059 121.074 120.200 -0.308 0.000 2.356 289 E HA 0.215 4.757 4.350 0.320 0.000 0.275 289 E C -1.077 175.335 176.600 -0.314 0.000 0.904 289 E CA -0.764 55.350 56.400 -0.477 0.000 0.757 289 E CB 2.261 31.194 29.700 -1.280 0.000 1.232 289 E HN 0.254 nan 8.360 nan 0.000 0.442 290 D N 2.064 122.360 120.400 -0.173 0.000 2.383 290 D HA 0.142 4.974 4.640 0.320 0.000 0.252 290 D C 1.130 177.468 176.300 0.063 0.000 1.166 290 D CA 0.147 54.125 54.000 -0.036 0.000 0.879 290 D CB 1.114 41.922 40.800 0.014 0.000 1.164 290 D HN 0.381 nan 8.370 nan 0.000 0.462 291 I N 1.561 122.185 120.570 0.090 0.000 2.852 291 I HA 0.019 4.381 4.170 0.320 0.000 0.264 291 I C 0.562 176.737 176.117 0.097 0.000 1.179 291 I CA 0.413 61.817 61.300 0.172 0.000 1.480 291 I CB 0.255 38.329 38.000 0.123 0.000 1.111 291 I HN 0.165 nan 8.210 nan 0.000 0.441 292 L N 0.353 121.608 121.223 0.054 0.000 2.545 292 L HA 0.475 5.007 4.340 0.320 0.000 0.258 292 L C -1.223 175.636 176.870 -0.018 0.000 0.942 292 L CA -0.351 54.508 54.840 0.032 0.000 0.855 292 L CB 1.765 43.830 42.059 0.010 0.000 1.374 292 L HN -0.074 nan 8.230 nan 0.000 0.411 293 K N 3.951 124.348 120.400 -0.006 0.000 2.636 293 K HA 0.481 4.993 4.320 0.320 0.000 0.286 293 K C -2.267 174.334 176.600 0.002 0.000 1.100 293 K CA -0.546 55.690 56.287 -0.086 0.000 0.991 293 K CB 0.929 33.437 32.500 0.013 0.000 1.323 293 K HN 0.617 nan 8.250 nan 0.000 0.478 294 Y N -0.329 119.838 120.300 -0.222 0.000 2.592 294 Y HA 0.635 5.377 4.550 0.320 0.000 0.334 294 Y C -1.705 174.120 175.900 -0.124 0.000 1.136 294 Y CA -1.206 56.804 58.100 -0.150 0.000 1.042 294 Y CB 0.972 39.329 38.460 -0.172 0.000 1.325 294 Y HN -0.030 nan 8.280 nan 0.000 0.457 295 V N 2.578 122.618 119.914 0.209 0.000 2.532 295 V HA 0.381 4.693 4.120 0.320 0.000 0.295 295 V C -0.822 175.396 176.094 0.208 0.000 1.041 295 V CA -0.534 61.886 62.300 0.201 0.000 0.926 295 V CB 1.571 33.491 31.823 0.162 0.000 0.992 295 V HN 0.876 nan 8.190 nan 0.000 0.457 296 D N 2.753 123.275 120.400 0.204 0.000 2.629 296 D HA 0.525 5.357 4.640 0.320 0.000 0.250 296 D C -1.526 174.870 176.300 0.161 0.000 1.126 296 D CA -0.142 53.984 54.000 0.211 0.000 0.852 296 D CB 2.369 43.369 40.800 0.333 0.000 1.335 296 D HN 0.300 nan 8.370 nan 0.000 0.518 297 V N 2.520 122.524 119.914 0.151 0.000 2.540 297 V HA 0.874 5.186 4.120 0.320 0.000 0.302 297 V C 0.699 176.929 176.094 0.227 0.000 1.035 297 V CA -0.481 61.923 62.300 0.174 0.000 0.873 297 V CB 1.525 33.447 31.823 0.165 0.000 0.992 297 V HN 0.703 nan 8.190 nan 0.000 0.428 298 G N 2.472 111.387 108.800 0.191 0.000 2.608 298 G HA2 0.880 5.032 3.960 0.320 0.000 0.291 298 G HA3 0.880 5.032 3.960 0.320 0.000 0.291 298 G C -1.589 173.404 174.900 0.154 0.000 1.425 298 G CA -0.113 45.097 45.100 0.183 0.000 0.787 298 G HN 1.221 nan 8.290 nan 0.000 0.484 299 A N -0.426 122.483 122.820 0.148 0.000 2.517 299 A HA 0.838 5.350 4.320 0.320 0.000 0.297 299 A C -0.616 177.039 177.584 0.118 0.000 1.050 299 A CA -0.450 51.669 52.037 0.137 0.000 0.694 299 A CB 1.733 20.823 19.000 0.151 0.000 1.277 299 A HN 0.972 nan 8.150 nan 0.000 0.400 300 T N 1.674 116.257 114.554 0.048 0.000 2.807 300 T HA 0.523 5.065 4.350 0.320 0.000 0.279 300 T C -1.322 173.295 174.700 -0.139 0.000 0.993 300 T CA -0.044 62.003 62.100 -0.087 0.000 0.970 300 T CB 0.847 69.523 68.868 -0.320 0.000 0.950 300 T HN 0.524 nan 8.240 nan 0.000 0.441 301 Y N 2.956 123.077 120.300 -0.299 0.000 2.331 301 Y HA 0.490 5.232 4.550 0.320 0.000 0.338 301 Y C -1.409 174.188 175.900 -0.506 0.000 0.976 301 Y CA -1.402 56.499 58.100 -0.332 0.000 1.137 301 Y CB 0.602 38.871 38.460 -0.318 0.000 1.172 301 Y HN 0.607 nan 8.280 nan 0.000 0.478 302 Y N 7.477 127.312 120.300 -0.775 0.000 2.518 302 Y HA 0.198 4.939 4.550 0.319 0.000 0.344 302 Y C 0.320 175.809 175.900 -0.685 0.000 0.982 302 Y CA -0.467 57.321 58.100 -0.520 0.000 1.234 302 Y CB 0.147 38.417 38.460 -0.317 0.000 1.114 302 Y HN 0.693 nan 8.280 nan 0.000 0.515 303 F N 1.125 120.988 119.950 -0.145 0.000 2.134 303 F HA -0.190 4.528 4.527 0.319 0.000 0.299 303 F C 0.974 176.779 175.800 0.010 0.000 1.097 303 F CA 1.167 59.161 58.000 -0.011 0.000 1.264 303 F CB -0.125 38.955 39.000 0.134 0.000 1.001 303 F HN 0.568 nan 8.300 nan 0.000 0.479 304 N N -2.122 116.705 118.700 0.212 0.000 3.496 304 N HA 0.075 5.007 4.740 0.320 0.000 0.331 304 N C -0.159 175.406 175.510 0.092 0.000 1.532 304 N CA -0.736 52.383 53.050 0.114 0.000 0.863 304 N CB 0.256 38.813 38.487 0.117 0.000 1.927 304 N HN -0.229 nan 8.380 nan 0.000 0.529 305 K N -0.650 119.772 120.400 0.037 0.000 2.365 305 K HA 0.157 4.669 4.320 0.320 0.000 0.199 305 K C 0.259 176.866 176.600 0.010 0.000 1.045 305 K CA 1.235 57.521 56.287 -0.002 0.000 0.962 305 K CB -0.346 32.136 32.500 -0.030 0.000 0.759 305 K HN 0.445 nan 8.250 nan 0.000 0.469 306 N N -0.821 117.899 118.700 0.032 0.000 2.197 306 N HA 0.090 5.022 4.740 0.320 0.000 0.201 306 N C -0.646 174.858 175.510 -0.009 0.000 1.148 306 N CA -0.053 52.964 53.050 -0.054 0.000 0.883 306 N CB 0.628 39.095 38.487 -0.034 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.823 120.513 119.600 0.150 0.000 2.324 307 M HA 0.422 5.094 4.480 0.320 0.000 0.288 307 M C -1.702 174.834 176.300 0.393 0.000 1.097 307 M CA -0.632 54.823 55.300 0.258 0.000 0.928 307 M CB 1.803 34.546 32.600 0.239 0.000 1.648 307 M HN 0.049 nan 8.290 nan 0.000 0.460 308 S N 1.548 117.453 115.700 0.342 0.000 2.596 308 S HA 0.906 5.568 4.470 0.320 0.000 0.270 308 S C -1.001 173.723 174.600 0.207 0.000 1.155 308 S CA -0.780 57.539 58.200 0.199 0.000 0.827 308 S CB 2.031 65.179 63.200 -0.087 0.000 1.130 308 S HN 0.790 nan 8.310 nan 0.000 0.467 309 T N 1.073 115.685 114.554 0.097 0.000 2.909 309 T HA 0.773 5.315 4.350 0.320 0.000 0.299 309 T C -2.066 172.660 174.700 0.044 0.000 1.073 309 T CA -0.532 61.603 62.100 0.059 0.000 0.999 309 T CB 1.094 70.062 68.868 0.167 0.000 1.098 309 T HN 1.192 nan 8.240 nan 0.000 0.477 310 Y N 0.861 121.165 120.300 0.006 0.000 2.609 310 Y HA 0.808 5.549 4.550 0.318 0.000 0.336 310 Y C -1.781 174.142 175.900 0.038 0.000 1.129 310 Y CA -1.389 56.708 58.100 -0.006 0.000 1.040 310 Y CB 0.814 39.244 38.460 -0.050 0.000 1.310 310 Y HN 0.480 nan 8.280 nan 0.000 0.460 311 V N 2.371 122.477 119.914 0.319 0.000 2.604 311 V HA 0.626 4.937 4.120 0.320 0.000 0.305 311 V C -1.695 174.584 176.094 0.308 0.000 1.043 311 V CA -0.256 62.209 62.300 0.275 0.000 0.888 311 V CB 1.648 33.566 31.823 0.159 0.000 0.995 311 V HN 0.907 nan 8.190 nan 0.000 0.429 312 D N 4.533 125.119 120.400 0.310 0.000 2.629 312 D HA 0.317 5.149 4.640 0.320 0.000 0.250 312 D C -1.892 174.694 176.300 0.475 0.000 1.126 312 D CA -0.132 54.043 54.000 0.293 0.000 0.852 312 D CB 1.651 42.490 40.800 0.064 0.000 1.335 312 D HN 0.491 nan 8.370 nan 0.000 0.518 313 Y N 3.446 123.904 120.300 0.263 0.000 2.388 313 Y HA 0.306 5.047 4.550 0.319 0.000 0.328 313 Y C -0.628 175.326 175.900 0.089 0.000 0.963 313 Y CA -1.199 57.007 58.100 0.176 0.000 1.240 313 Y CB 0.831 39.362 38.460 0.117 0.000 1.118 313 Y HN 0.225 nan 8.280 nan 0.000 0.484 314 K N 8.026 128.423 120.400 -0.004 0.000 2.263 314 K HA 0.388 4.900 4.320 0.320 0.000 0.282 314 K C -0.952 175.395 176.600 -0.421 0.000 1.089 314 K CA -0.298 55.721 56.287 -0.446 0.000 0.907 314 K CB 0.138 31.927 32.500 -1.185 0.000 1.148 314 K HN 0.746 nan 8.250 nan 0.000 0.470 315 I N 4.460 124.789 120.570 -0.401 0.000 2.281 315 I HA 0.033 4.395 4.170 0.320 0.000 0.293 315 I C 0.227 176.271 176.117 -0.122 0.000 1.085 315 I CA -0.597 60.495 61.300 -0.346 0.000 1.257 315 I CB 0.346 38.132 38.000 -0.358 0.000 1.430 315 I HN 0.510 nan 8.210 nan 0.000 0.489 316 N N 6.924 125.553 118.700 -0.120 0.000 2.411 316 N HA 0.197 5.129 4.740 0.320 0.000 0.259 316 N C 0.385 175.898 175.510 0.006 0.000 1.103 316 N CA 0.005 53.022 53.050 -0.055 0.000 0.954 316 N CB 1.257 39.680 38.487 -0.108 0.000 1.085 316 N HN 0.568 nan 8.380 nan 0.000 0.485 317 L N 3.321 124.578 121.223 0.056 0.000 2.607 317 L HA 0.237 4.768 4.340 0.320 0.000 0.228 317 L C 0.639 177.541 176.870 0.054 0.000 1.123 317 L CA -0.046 54.830 54.840 0.060 0.000 0.890 317 L CB 0.017 42.135 42.059 0.099 0.000 1.103 317 L HN 0.353 nan 8.230 nan 0.000 0.468 318 L N 0.507 121.759 121.223 0.048 0.000 2.456 318 L HA 0.083 4.615 4.340 0.320 0.000 0.272 318 L C -0.034 176.860 176.870 0.041 0.000 1.189 318 L CA -0.001 54.869 54.840 0.049 0.000 0.846 318 L CB 0.334 42.423 42.059 0.050 0.000 1.111 318 L HN 0.043 nan 8.230 nan 0.000 0.475 319 D N 1.289 121.718 120.400 0.049 0.000 2.255 319 D HA 0.068 4.900 4.640 0.320 0.000 0.249 319 D C -0.454 175.875 176.300 0.048 0.000 1.078 319 D CA -0.287 53.739 54.000 0.044 0.000 0.896 319 D CB 1.535 42.361 40.800 0.045 0.000 1.194 319 D HN 0.393 nan 8.370 nan 0.000 0.429 320 D N 1.496 121.918 120.400 0.036 0.000 2.346 320 D HA 0.072 4.904 4.640 0.320 0.000 0.260 320 D C -0.338 175.990 176.300 0.046 0.000 1.252 320 D CA -0.022 53.997 54.000 0.032 0.000 0.895 320 D CB 0.044 40.856 40.800 0.020 0.000 1.097 320 D HN 0.356 nan 8.370 nan 0.000 0.489 321 N N 1.703 120.440 118.700 0.062 0.000 3.204 321 N HA 0.208 5.139 4.740 0.320 0.000 0.285 321 N C 0.640 176.210 175.510 0.100 0.000 1.536 321 N CA -0.860 52.242 53.050 0.086 0.000 0.832 321 N CB 0.664 39.217 38.487 0.110 0.000 1.645 321 N HN 0.184 nan 8.380 nan 0.000 0.586 322 R N -0.914 119.672 120.500 0.142 0.000 2.083 322 R HA -0.111 4.421 4.340 0.320 0.000 0.237 322 R C 1.703 178.120 176.300 0.194 0.000 1.137 322 R CA 1.637 57.842 56.100 0.175 0.000 0.951 322 R CB -0.558 29.883 30.300 0.234 0.000 0.851 322 R HN 0.552 nan 8.270 nan 0.000 0.434 323 F N 1.459 121.439 119.950 0.050 0.000 2.102 323 F HA -0.225 4.494 4.527 0.321 0.000 0.298 323 F C 2.420 178.098 175.800 -0.204 0.000 1.105 323 F CA 2.305 60.158 58.000 -0.245 0.000 1.239 323 F CB -0.722 38.071 39.000 -0.346 0.000 0.991 323 F HN 0.146 nan 8.300 nan 0.000 0.474 324 T N -1.381 113.071 114.554 -0.171 0.000 2.867 324 T HA -0.097 4.445 4.350 0.320 0.000 0.268 324 T C 2.128 176.684 174.700 -0.240 0.000 1.057 324 T CA 0.951 62.888 62.100 -0.271 0.000 1.136 324 T CB -0.487 68.353 68.868 -0.047 0.000 0.874 324 T HN 0.296 nan 8.240 nan 0.000 0.466 325 R N 0.969 121.389 120.500 -0.133 0.000 2.062 325 R HA -0.022 4.510 4.340 0.320 0.000 0.229 325 R C 2.388 178.618 176.300 -0.117 0.000 1.128 325 R CA 1.525 57.569 56.100 -0.093 0.000 0.960 325 R CB -0.671 29.612 30.300 -0.029 0.000 0.855 325 R HN 0.417 nan 8.270 nan 0.000 0.432 326 D N 0.738 121.068 120.400 -0.118 0.000 2.123 326 D HA -0.108 4.724 4.640 0.320 0.000 0.196 326 D C 1.611 177.786 176.300 -0.209 0.000 0.992 326 D CA 1.564 55.504 54.000 -0.099 0.000 0.833 326 D CB -0.008 40.808 40.800 0.026 0.000 0.954 326 D HN 0.201 nan 8.370 nan 0.000 0.455 327 A N -0.693 121.876 122.820 -0.418 0.000 2.066 327 A HA 0.299 4.811 4.320 0.320 0.000 0.218 327 A C 1.850 179.245 177.584 -0.315 0.000 1.157 327 A CA 1.449 53.208 52.037 -0.464 0.000 0.670 327 A CB -0.560 17.943 19.000 -0.828 0.000 0.804 327 A HN 0.502 nan 8.150 nan 0.000 0.453 328 G N -0.944 107.705 108.800 -0.251 0.000 2.176 328 G HA2 -0.229 3.923 3.960 0.320 0.000 0.252 328 G HA3 -0.229 3.923 3.960 0.320 0.000 0.252 328 G C 0.028 174.820 174.900 -0.181 0.000 1.024 328 G CA 0.334 45.324 45.100 -0.182 0.000 0.755 328 G HN 0.496 nan 8.290 nan 0.000 0.507 329 I N 0.423 120.868 120.570 -0.209 0.000 2.428 329 I HA 0.181 4.543 4.170 0.320 0.000 0.289 329 I C 0.724 176.776 176.117 -0.109 0.000 1.019 329 I CA -0.870 60.333 61.300 -0.162 0.000 1.351 329 I CB 1.037 38.936 38.000 -0.169 0.000 1.412 329 I HN 0.198 nan 8.210 nan 0.000 0.513 330 N N 3.546 122.192 118.700 -0.091 0.000 2.475 330 N HA 0.016 4.948 4.740 0.320 0.000 0.267 330 N C 0.717 176.189 175.510 -0.064 0.000 1.169 330 N CA 0.123 53.128 53.050 -0.075 0.000 0.947 330 N CB 0.785 39.223 38.487 -0.082 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.094 113.432 114.554 -0.047 0.000 3.044 331 T HA 0.200 4.741 4.350 0.320 0.000 0.260 331 T C -0.033 174.646 174.700 -0.035 0.000 1.019 331 T CA -0.311 61.771 62.100 -0.030 0.000 0.921 331 T CB -0.067 68.796 68.868 -0.008 0.000 1.053 331 T HN 0.351 nan 8.240 nan 0.000 0.533 332 D N 2.345 122.717 120.400 -0.047 0.000 2.294 332 D HA 0.289 5.121 4.640 0.320 0.000 0.250 332 D C -0.598 175.655 176.300 -0.078 0.000 1.058 332 D CA -0.361 53.616 54.000 -0.038 0.000 0.950 332 D CB 1.171 41.962 40.800 -0.016 0.000 1.158 332 D HN 0.249 nan 8.370 nan 0.000 0.453 333 D N 0.492 120.871 120.400 -0.036 0.000 2.362 333 D HA 0.330 5.162 4.640 0.320 0.000 0.242 333 D C 0.089 176.368 176.300 -0.036 0.000 1.132 333 D CA 0.222 54.203 54.000 -0.032 0.000 0.907 333 D CB 1.015 41.893 40.800 0.130 0.000 1.195 333 D HN 0.208 nan 8.370 nan 0.000 0.429 334 I N 0.420 120.926 120.570 -0.106 0.000 2.619 334 I HA 0.272 4.634 4.170 0.320 0.000 0.292 334 I C -0.733 175.456 176.117 0.119 0.000 1.100 334 I CA -1.083 60.170 61.300 -0.078 0.000 1.043 334 I CB 2.178 39.979 38.000 -0.331 0.000 1.239 334 I HN -0.094 nan 8.210 nan 0.000 0.420 335 V N 4.145 124.191 119.914 0.221 0.000 2.459 335 V HA 0.767 5.079 4.120 0.320 0.000 0.295 335 V C 0.155 176.443 176.094 0.323 0.000 1.029 335 V CA -0.510 61.968 62.300 0.296 0.000 0.874 335 V CB 1.598 33.509 31.823 0.148 0.000 0.985 335 V HN 0.843 nan 8.190 nan 0.000 0.438 336 A N 4.895 127.882 122.820 0.279 0.000 2.331 336 A HA 0.891 5.403 4.320 0.320 0.000 0.320 336 A C -1.241 176.497 177.584 0.256 0.000 1.138 336 A CA -0.521 51.621 52.037 0.176 0.000 0.790 336 A CB 1.310 20.246 19.000 -0.107 0.000 1.206 336 A HN 0.775 nan 8.150 nan 0.000 0.470 337 L N 2.347 123.707 121.223 0.229 0.000 2.376 337 L HA 0.821 5.352 4.340 0.320 0.000 0.275 337 L C 0.086 176.890 176.870 -0.111 0.000 0.987 337 L CA 0.070 54.970 54.840 0.099 0.000 0.828 337 L CB 1.682 43.899 42.059 0.264 0.000 1.249 337 L HN 0.865 nan 8.230 nan 0.000 0.409 338 G N 4.120 112.608 108.800 -0.520 0.000 2.620 338 G HA2 0.635 4.787 3.960 0.320 0.000 0.301 338 G HA3 0.635 4.787 3.960 0.320 0.000 0.301 338 G C -2.364 172.239 174.900 -0.495 0.000 1.347 338 G CA -0.541 44.147 45.100 -0.687 0.000 0.971 338 G HN 0.567 nan 8.290 nan 0.000 0.488 339 L N 1.721 122.803 121.223 -0.235 0.000 2.406 339 L HA 0.731 5.263 4.340 0.320 0.000 0.272 339 L C -1.047 175.808 176.870 -0.024 0.000 0.980 339 L CA -0.720 54.078 54.840 -0.070 0.000 0.831 339 L CB 2.217 44.267 42.059 -0.015 0.000 1.253 339 L HN 0.340 nan 8.230 nan 0.000 0.406 340 V N 5.318 125.262 119.914 0.050 0.000 2.443 340 V HA 0.338 4.650 4.120 0.320 0.000 0.293 340 V C -1.173 175.003 176.094 0.137 0.000 1.021 340 V CA -0.660 61.683 62.300 0.072 0.000 0.848 340 V CB 1.359 33.239 31.823 0.096 0.000 0.998 340 V HN 0.638 nan 8.190 nan 0.000 0.424 341 Y N 5.701 126.024 120.300 0.038 0.000 2.328 341 Y HA 0.670 5.410 4.550 0.316 0.000 0.337 341 Y C 0.123 176.083 175.900 0.100 0.000 1.008 341 Y CA -0.321 57.824 58.100 0.075 0.000 1.129 341 Y CB 1.277 39.777 38.460 0.066 0.000 1.185 341 Y HN 0.748 nan 8.280 nan 0.000 0.476 342 Q N 6.101 125.506 119.800 -0.659 0.000 2.456 342 Q HA 0.629 5.161 4.340 0.320 0.000 0.283 342 Q C -1.788 173.889 176.000 -0.539 0.000 1.084 342 Q CA -0.924 54.590 55.803 -0.482 0.000 0.801 342 Q CB 2.815 31.412 28.738 -0.234 0.000 1.434 342 Q HN 0.644 nan 8.270 nan 0.000 0.419 343 F N 0.000 119.774 119.950 -0.294 0.000 2.286 343 F HA 0.000 4.714 4.527 0.312 0.000 0.279 343 F CA 0.000 57.930 58.000 -0.117 0.000 1.383 343 F CB 0.000 39.012 39.000 0.019 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574