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_F DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK LDLYGKVEGL HYFSDNDSKD GDKTYMRLGF KGETQVTDQL DATA SEQUENCE TGYGQWEYQI QGNEPESDNS SWTRVAFAGL KFQDVGSFDY GRNYGVVYDV DATA SEQUENCE TSWTDVLPEF GGDTYDSDNF MQQRGNGFAT YRNTDFFGLV DGLDFAVQYQ DATA SEQUENCE GKNGSAHGEG MTTNGRDDVF EQNGDGVGGS ITYNYEGFGI GAAVSSSKRT DATA SEQUENCE WDQNNTGLIG TGDRAETYTG GLKYDANNIY LAAQYTQTYN ATRVGSLGWA DATA SEQUENCE NKAQNFEAVA QYQFDFGLRP SLAYLQSKGK NLGRGYDDED ILKYVDVGAT DATA SEQUENCE YYFNKNMSTY VDYKINLLDD NRFTRDAGIN TDDIVALGLV YQF VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.711 177.584 0.212 0.000 1.274 1 A CA 0.000 52.184 52.037 0.245 0.000 0.836 1 A CB 0.000 19.183 19.000 0.305 0.000 0.831 2 E N 1.933 122.222 120.200 0.149 0.000 2.166 2 E HA 0.353 4.704 4.350 0.002 0.000 0.279 2 E C 0.637 177.316 176.600 0.133 0.000 1.095 2 E CA 0.055 56.536 56.400 0.135 0.000 0.888 2 E CB 0.107 29.860 29.700 0.090 0.000 1.041 2 E HN 0.655 nan 8.360 nan 0.000 0.414 3 I N 2.330 122.998 120.570 0.163 0.000 4.018 3 I HA 0.327 4.498 4.170 0.002 0.000 0.337 3 I C -0.648 175.595 176.117 0.210 0.000 1.327 3 I CA -0.461 60.932 61.300 0.155 0.000 1.100 3 I CB 0.373 38.462 38.000 0.147 0.000 1.025 3 I HN 0.334 nan 8.210 nan 0.000 0.396 4 Y N 1.719 122.044 120.300 0.041 0.000 2.390 4 Y HA 0.553 5.104 4.550 0.002 0.000 0.324 4 Y C -1.833 174.084 175.900 0.029 0.000 1.151 4 Y CA -1.131 56.984 58.100 0.025 0.000 1.053 4 Y CB 1.318 39.785 38.460 0.010 0.000 1.277 4 Y HN 0.109 nan 8.280 nan 0.000 0.432 5 N N 5.573 124.007 118.700 -0.443 0.000 2.655 5 N HA 0.323 5.064 4.740 0.002 0.000 0.277 5 N C -2.157 173.090 175.510 -0.438 0.000 1.177 5 N CA -0.410 52.459 53.050 -0.303 0.000 0.882 5 N CB 1.451 39.869 38.487 -0.114 0.000 1.481 5 N HN 0.785 nan 8.380 nan 0.000 0.547 6 K N 2.136 122.270 120.400 -0.444 0.000 2.583 6 K HA 0.218 4.540 4.320 0.002 0.000 0.260 6 K C -1.271 175.259 176.600 -0.117 0.000 0.931 6 K CA -0.363 55.716 56.287 -0.347 0.000 0.849 6 K CB 0.757 32.900 32.500 -0.595 0.000 1.347 6 K HN 0.317 nan 8.250 nan 0.000 0.425 7 D N 2.943 123.311 120.400 -0.053 0.000 2.692 7 D HA -0.211 4.430 4.640 0.002 0.000 0.233 7 D C 0.683 177.004 176.300 0.035 0.000 1.172 7 D CA 2.258 56.261 54.000 0.006 0.000 0.636 7 D CB -1.064 39.756 40.800 0.033 0.000 1.028 7 D HN 1.063 nan 8.370 nan 0.000 0.419 8 G N -0.634 108.181 108.800 0.025 0.000 2.176 8 G HA2 -0.361 3.600 3.960 0.002 0.000 0.253 8 G HA3 -0.361 3.600 3.960 0.002 0.000 0.253 8 G C 0.194 175.140 174.900 0.075 0.000 0.979 8 G CA 0.353 45.481 45.100 0.047 0.000 0.641 8 G HN 0.643 nan 8.290 nan 0.000 0.530 9 N N 0.378 119.140 118.700 0.103 0.000 2.269 9 N HA 0.643 5.384 4.740 0.002 0.000 0.304 9 N C -0.430 175.186 175.510 0.177 0.000 1.072 9 N CA -0.476 52.671 53.050 0.162 0.000 0.802 9 N CB 1.065 39.688 38.487 0.226 0.000 1.348 9 N HN 0.577 nan 8.380 nan 0.000 0.484 10 K N 1.435 121.942 120.400 0.177 0.000 2.435 10 K HA 0.715 5.036 4.320 0.002 0.000 0.251 10 K C -1.820 174.908 176.600 0.213 0.000 0.954 10 K CA -0.954 55.445 56.287 0.186 0.000 0.820 10 K CB 1.949 34.508 32.500 0.099 0.000 1.292 10 K HN 0.335 nan 8.250 nan 0.000 0.436 11 L N 1.665 123.028 121.223 0.233 0.000 2.470 11 L HA 0.394 4.735 4.340 0.002 0.000 0.268 11 L C -1.899 175.097 176.870 0.210 0.000 0.964 11 L CA -0.185 54.775 54.840 0.200 0.000 0.839 11 L CB 1.957 44.093 42.059 0.128 0.000 1.276 11 L HN 0.848 nan 8.230 nan 0.000 0.403 12 D N 4.455 125.001 120.400 0.243 0.000 2.349 12 D HA 0.297 4.938 4.640 0.002 0.000 0.232 12 D C -1.275 175.238 176.300 0.355 0.000 1.071 12 D CA -0.256 53.905 54.000 0.268 0.000 0.832 12 D CB 1.410 42.350 40.800 0.233 0.000 1.086 12 D HN 0.492 nan 8.370 nan 0.000 0.504 13 L N 6.631 128.047 121.223 0.321 0.000 2.257 13 L HA 0.408 4.749 4.340 0.002 0.000 0.290 13 L C -1.343 175.747 176.870 0.367 0.000 1.044 13 L CA -0.433 54.602 54.840 0.325 0.000 0.810 13 L CB 0.184 42.426 42.059 0.305 0.000 1.193 13 L HN 0.335 nan 8.230 nan 0.000 0.425 14 Y N 2.989 123.336 120.300 0.079 0.000 2.602 14 Y HA 1.024 5.575 4.550 0.002 0.000 0.342 14 Y C -0.052 175.469 175.900 -0.633 0.000 1.029 14 Y CA -0.751 57.145 58.100 -0.341 0.000 1.080 14 Y CB 1.673 40.003 38.460 -0.216 0.000 1.284 14 Y HN 0.799 nan 8.280 nan 0.000 0.485 15 G N 0.999 109.192 108.800 -1.011 0.000 2.338 15 G HA2 0.506 4.467 3.960 0.002 0.000 0.295 15 G HA3 0.506 4.467 3.960 0.002 0.000 0.295 15 G C -2.340 172.239 174.900 -0.535 0.000 1.461 15 G CA -1.058 43.609 45.100 -0.721 0.000 0.817 15 G HN 1.056 nan 8.290 nan 0.000 0.556 16 K N -1.496 118.817 120.400 -0.145 0.000 2.556 16 K HA 0.765 5.087 4.320 0.002 0.000 0.274 16 K C -1.667 174.940 176.600 0.012 0.000 0.966 16 K CA -1.026 55.240 56.287 -0.035 0.000 0.865 16 K CB 2.272 34.726 32.500 -0.077 0.000 1.444 16 K HN 0.592 nan 8.250 nan 0.000 0.433 17 V N 0.915 120.863 119.914 0.057 0.000 2.409 17 V HA 0.357 4.478 4.120 0.002 0.000 0.291 17 V C -0.871 175.155 176.094 -0.114 0.000 1.020 17 V CA -0.593 61.688 62.300 -0.032 0.000 0.848 17 V CB 1.217 33.077 31.823 0.061 0.000 0.990 17 V HN 0.908 nan 8.190 nan 0.000 0.430 18 E N 3.284 123.287 120.200 -0.328 0.000 2.101 18 E HA 0.540 4.891 4.350 0.002 0.000 0.260 18 E C 0.373 176.841 176.600 -0.221 0.000 0.897 18 E CA -0.427 55.778 56.400 -0.324 0.000 0.744 18 E CB 1.171 30.497 29.700 -0.623 0.000 1.140 18 E HN 0.890 nan 8.360 nan 0.000 0.419 19 G N 4.239 112.973 108.800 -0.110 0.000 2.367 19 G HA2 0.376 4.337 3.960 0.002 0.000 0.280 19 G HA3 0.376 4.337 3.960 0.002 0.000 0.280 19 G C -0.952 173.913 174.900 -0.058 0.000 1.175 19 G CA -0.156 44.905 45.100 -0.064 0.000 1.001 19 G HN 0.388 nan 8.290 nan 0.000 0.437 20 L N 2.497 123.712 121.223 -0.013 0.000 2.436 20 L HA 0.656 4.997 4.340 0.002 0.000 0.268 20 L C -1.153 175.760 176.870 0.072 0.000 0.974 20 L CA -1.121 53.741 54.840 0.037 0.000 0.826 20 L CB 2.273 44.392 42.059 0.102 0.000 1.291 20 L HN 0.627 nan 8.230 nan 0.000 0.406 21 H N 3.145 122.211 119.070 -0.008 0.000 2.667 21 H HA 0.613 5.170 4.556 0.002 0.000 0.353 21 H C -1.647 173.666 175.328 -0.024 0.000 1.072 21 H CA -0.311 55.668 56.048 -0.115 0.000 1.214 21 H CB 1.226 30.823 29.762 -0.277 0.000 1.600 21 H HN 0.493 nan 8.280 nan 0.000 0.527 22 Y N 4.108 124.046 120.300 -0.602 0.000 2.342 22 Y HA 0.324 4.875 4.550 0.002 0.000 0.334 22 Y C -0.863 174.757 175.900 -0.465 0.000 1.067 22 Y CA -1.040 56.877 58.100 -0.304 0.000 1.128 22 Y CB 0.655 39.029 38.460 -0.144 0.000 1.200 22 Y HN 0.511 nan 8.280 nan 0.000 0.464 23 F N 1.484 121.558 119.950 0.206 0.000 2.449 23 F HA 0.588 5.115 4.527 0.001 0.000 0.342 23 F C 0.194 176.049 175.800 0.091 0.000 1.127 23 F CA -0.494 57.600 58.000 0.157 0.000 0.975 23 F CB 2.027 41.108 39.000 0.136 0.000 1.146 23 F HN 0.294 nan 8.300 nan 0.000 0.444 24 S N 1.287 117.127 115.700 0.234 0.000 2.547 24 S HA 0.270 4.741 4.470 0.002 0.000 0.270 24 S C -0.125 174.539 174.600 0.107 0.000 1.150 24 S CA -0.726 57.556 58.200 0.138 0.000 0.850 24 S CB 1.276 64.532 63.200 0.094 0.000 1.118 24 S HN 0.596 nan 8.310 nan 0.000 0.461 25 D N 1.487 121.933 120.400 0.076 0.000 2.269 25 D HA -0.011 4.630 4.640 0.002 0.000 0.208 25 D C 0.445 176.769 176.300 0.040 0.000 0.963 25 D CA 0.700 54.733 54.000 0.056 0.000 0.864 25 D CB -0.155 40.672 40.800 0.043 0.000 0.936 25 D HN 0.452 nan 8.370 nan 0.000 0.505 26 N N 1.931 120.651 118.700 0.033 0.000 2.405 26 N HA -0.055 4.686 4.740 0.002 0.000 0.260 26 N C 0.343 175.869 175.510 0.027 0.000 1.152 26 N CA 0.064 53.125 53.050 0.019 0.000 0.948 26 N CB 0.867 39.355 38.487 0.002 0.000 1.111 26 N HN -0.150 nan 8.380 nan 0.000 0.485 27 D N 1.223 121.635 120.400 0.019 0.000 2.218 27 D HA -0.149 4.492 4.640 0.002 0.000 0.204 27 D C 1.394 177.697 176.300 0.006 0.000 0.976 27 D CA 1.122 55.132 54.000 0.017 0.000 0.853 27 D CB 0.010 40.817 40.800 0.011 0.000 0.939 27 D HN 0.686 nan 8.370 nan 0.000 0.481 28 S N -0.334 115.365 115.700 -0.001 0.000 2.561 28 S HA 0.006 4.477 4.470 0.002 0.000 0.225 28 S C 1.364 175.965 174.600 0.002 0.000 0.977 28 S CA 0.385 58.578 58.200 -0.012 0.000 0.926 28 S CB 0.176 63.362 63.200 -0.023 0.000 0.769 28 S HN 0.003 nan 8.310 nan 0.000 0.533 29 K N 0.857 121.280 120.400 0.038 0.000 2.413 29 K HA 0.318 4.639 4.320 0.002 0.000 0.204 29 K C -0.859 175.832 176.600 0.151 0.000 1.041 29 K CA 0.015 56.376 56.287 0.123 0.000 1.082 29 K CB 0.394 32.975 32.500 0.134 0.000 0.871 29 K HN 0.432 nan 8.250 nan 0.000 0.535 30 D N 0.141 120.566 120.400 0.042 0.000 2.308 30 D HA 0.523 5.164 4.640 0.002 0.000 0.242 30 D C 0.247 176.466 176.300 -0.135 0.000 1.059 30 D CA 0.233 54.233 54.000 -0.001 0.000 0.830 30 D CB 1.102 41.927 40.800 0.041 0.000 1.161 30 D HN 0.256 nan 8.370 nan 0.000 0.494 31 G N 3.116 111.682 108.800 -0.390 0.000 2.318 31 G HA2 -0.023 3.938 3.960 0.002 0.000 0.367 31 G HA3 -0.023 3.938 3.960 0.002 0.000 0.367 31 G C -1.045 173.381 174.900 -0.790 0.000 1.260 31 G CA -0.710 44.038 45.100 -0.586 0.000 1.055 31 G HN 0.602 nan 8.290 nan 0.000 0.484 32 D N 0.389 120.557 120.400 -0.388 0.000 2.417 32 D HA 0.473 5.114 4.640 0.002 0.000 0.250 32 D C 0.833 176.998 176.300 -0.224 0.000 1.166 32 D CA 0.192 54.071 54.000 -0.202 0.000 0.881 32 D CB 0.714 41.495 40.800 -0.032 0.000 1.164 32 D HN 0.356 nan 8.370 nan 0.000 0.467 33 K N 2.403 122.681 120.400 -0.203 0.000 2.536 33 K HA 0.123 4.444 4.320 0.002 0.000 0.203 33 K C -0.204 176.405 176.600 0.014 0.000 1.063 33 K CA -0.297 55.873 56.287 -0.194 0.000 1.063 33 K CB 0.418 32.636 32.500 -0.470 0.000 0.843 33 K HN 0.406 nan 8.250 nan 0.000 0.521 34 T N 2.519 117.081 114.554 0.013 0.000 2.933 34 T HA 0.038 4.389 4.350 0.002 0.000 0.306 34 T C -0.068 174.698 174.700 0.111 0.000 1.045 34 T CA 0.810 62.926 62.100 0.027 0.000 1.143 34 T CB -0.145 68.719 68.868 -0.006 0.000 1.003 34 T HN 0.282 nan 8.240 nan 0.000 0.540 35 Y N 0.464 120.736 120.300 -0.047 0.000 2.670 35 Y HA 0.755 5.306 4.550 0.002 0.000 0.334 35 Y C -1.183 174.684 175.900 -0.056 0.000 1.185 35 Y CA -1.752 56.303 58.100 -0.075 0.000 1.053 35 Y CB 1.486 39.882 38.460 -0.106 0.000 1.298 35 Y HN 0.462 nan 8.280 nan 0.000 0.459 36 M N 2.715 122.347 119.600 0.055 0.000 2.464 36 M HA 0.591 5.072 4.480 0.002 0.000 0.308 36 M C -1.835 174.499 176.300 0.057 0.000 1.127 36 M CA -0.520 54.772 55.300 -0.014 0.000 0.913 36 M CB 2.473 35.075 32.600 0.004 0.000 1.689 36 M HN 1.065 nan 8.290 nan 0.000 0.445 37 R N 2.557 123.067 120.500 0.016 0.000 2.750 37 R HA 0.833 5.174 4.340 0.002 0.000 0.281 37 R C -1.848 174.392 176.300 -0.099 0.000 0.972 37 R CA -0.785 55.293 56.100 -0.036 0.000 0.912 37 R CB 2.553 32.874 30.300 0.035 0.000 1.187 37 R HN 0.612 nan 8.270 nan 0.000 0.464 38 L N 0.845 121.945 121.223 -0.205 0.000 2.513 38 L HA 0.797 5.138 4.340 0.002 0.000 0.261 38 L C -1.250 175.278 176.870 -0.570 0.000 0.945 38 L CA 0.006 54.687 54.840 -0.266 0.000 0.848 38 L CB 2.341 44.378 42.059 -0.036 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.530 110.806 108.800 -0.874 0.000 2.645 39 G HA2 0.660 4.621 3.960 0.002 0.000 0.292 39 G HA3 0.660 4.621 3.960 0.002 0.000 0.292 39 G C -1.939 172.640 174.900 -0.534 0.000 1.415 39 G CA -0.382 44.146 45.100 -0.952 0.000 0.785 39 G HN 0.881 nan 8.290 nan 0.000 0.483 40 F N -0.868 119.029 119.950 -0.089 0.000 2.576 40 F HA 0.893 5.421 4.527 0.002 0.000 0.313 40 F C -0.726 175.225 175.800 0.251 0.000 1.078 40 F CA -1.269 56.810 58.000 0.131 0.000 0.921 40 F CB 2.585 41.680 39.000 0.159 0.000 1.232 40 F HN 0.493 nan 8.300 nan 0.000 0.459 41 K N 2.557 123.306 120.400 0.582 0.000 2.507 41 K HA 0.650 4.971 4.320 0.002 0.000 0.252 41 K C -1.161 175.661 176.600 0.370 0.000 0.943 41 K CA -0.792 55.737 56.287 0.402 0.000 0.808 41 K CB 1.899 34.567 32.500 0.281 0.000 1.142 41 K HN 1.112 nan 8.250 nan 0.000 0.426 42 G N 2.687 111.702 108.800 0.359 0.000 2.566 42 G HA2 0.404 4.365 3.960 0.002 0.000 0.311 42 G HA3 0.404 4.365 3.960 0.002 0.000 0.311 42 G C -1.611 173.442 174.900 0.256 0.000 1.322 42 G CA -0.375 44.890 45.100 0.275 0.000 0.969 42 G HN 0.585 nan 8.290 nan 0.000 0.490 43 E N 0.617 120.940 120.200 0.205 0.000 2.263 43 E HA 0.533 4.884 4.350 0.002 0.000 0.268 43 E C -1.378 175.319 176.600 0.162 0.000 0.884 43 E CA -0.626 55.893 56.400 0.199 0.000 0.766 43 E CB 2.236 32.023 29.700 0.145 0.000 1.196 43 E HN 0.389 nan 8.360 nan 0.000 0.416 44 T N 3.371 118.024 114.554 0.164 0.000 2.824 44 T HA 0.232 4.583 4.350 0.002 0.000 0.282 44 T C -0.932 173.839 174.700 0.119 0.000 0.993 44 T CA -0.654 61.523 62.100 0.129 0.000 0.967 44 T CB 1.249 70.187 68.868 0.117 0.000 0.960 44 T HN 0.395 nan 8.240 nan 0.000 0.441 45 Q N 4.190 124.046 119.800 0.093 0.000 2.307 45 Q HA 0.233 4.574 4.340 0.002 0.000 0.259 45 Q C 0.931 176.980 176.000 0.082 0.000 0.998 45 Q CA -0.116 55.735 55.803 0.081 0.000 0.923 45 Q CB 1.700 30.472 28.738 0.057 0.000 1.196 45 Q HN 0.609 nan 8.270 nan 0.000 0.416 46 V N 2.124 122.096 119.914 0.096 0.000 2.341 46 V HA -0.039 4.082 4.120 0.002 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 0.057 31.948 31.823 0.113 0.000 0.678 46 V HN 0.849 nan 8.190 nan 0.000 0.464 47 T N -3.568 111.047 114.554 0.102 0.000 2.773 47 T HA 0.269 4.620 4.350 0.002 0.000 0.278 47 T C 0.371 175.107 174.700 0.060 0.000 1.011 47 T CA -0.315 61.839 62.100 0.090 0.000 1.014 47 T CB 1.562 70.507 68.868 0.130 0.000 1.293 47 T HN 0.110 nan 8.240 nan 0.000 0.554 48 D N 0.078 120.501 120.400 0.039 0.000 2.263 48 D HA -0.053 4.588 4.640 0.002 0.000 0.208 48 D C 1.684 177.952 176.300 -0.054 0.000 0.971 48 D CA 1.260 55.260 54.000 -0.000 0.000 0.867 48 D CB 0.154 40.952 40.800 -0.003 0.000 0.929 48 D HN 0.613 nan 8.370 nan 0.000 0.492 49 Q N -0.754 118.993 119.800 -0.088 0.000 2.378 49 Q HA 0.156 4.497 4.340 0.002 0.000 0.229 49 Q C 0.053 175.895 176.000 -0.263 0.000 0.882 49 Q CA -0.194 55.405 55.803 -0.341 0.000 0.936 49 Q CB 1.135 29.433 28.738 -0.733 0.000 1.092 49 Q HN 0.043 nan 8.270 nan 0.000 0.535 50 L N 1.939 123.200 121.223 0.065 0.000 2.298 50 L HA 0.372 4.713 4.340 0.002 0.000 0.284 50 L C -0.504 176.466 176.870 0.166 0.000 1.013 50 L CA -0.147 54.841 54.840 0.246 0.000 0.824 50 L CB 1.494 43.782 42.059 0.382 0.000 1.221 50 L HN -0.013 nan 8.230 nan 0.000 0.418 51 T N 1.436 116.096 114.554 0.178 0.000 2.888 51 T HA 0.872 5.223 4.350 0.002 0.000 0.284 51 T C 0.096 174.948 174.700 0.253 0.000 1.017 51 T CA -0.449 61.764 62.100 0.187 0.000 1.022 51 T CB 1.637 70.604 68.868 0.165 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 0.680 4.641 3.960 0.002 0.000 0.333 52 G HA3 0.680 4.641 3.960 0.002 0.000 0.333 52 G C -1.428 173.641 174.900 0.282 0.000 1.143 52 G CA -1.093 44.122 45.100 0.190 0.000 0.914 52 G HN 1.000 nan 8.290 nan 0.000 0.480 53 Y N -1.284 119.108 120.300 0.153 0.000 2.638 53 Y HA 0.817 5.368 4.550 0.002 0.000 0.335 53 Y C -0.122 175.880 175.900 0.171 0.000 1.155 53 Y CA -1.378 56.818 58.100 0.159 0.000 1.046 53 Y CB 1.364 39.923 38.460 0.166 0.000 1.303 53 Y HN 0.948 nan 8.280 nan 0.000 0.460 54 G N 0.843 109.833 108.800 0.317 0.000 2.718 54 G HA2 0.538 4.499 3.960 0.002 0.000 0.295 54 G HA3 0.538 4.499 3.960 0.002 0.000 0.295 54 G C -2.482 172.466 174.900 0.080 0.000 1.421 54 G CA -0.971 44.226 45.100 0.162 0.000 0.902 54 G HN 0.887 nan 8.290 nan 0.000 0.501 55 Q N -0.274 119.307 119.800 -0.365 0.000 2.353 55 Q HA 0.567 4.908 4.340 0.002 0.000 0.275 55 Q C -2.365 173.270 176.000 -0.609 0.000 1.029 55 Q CA -0.936 54.562 55.803 -0.507 0.000 0.848 55 Q CB 2.856 31.256 28.738 -0.562 0.000 1.390 55 Q HN 0.665 nan 8.270 nan 0.000 0.401 56 W N 3.224 124.014 121.300 -0.851 0.000 3.097 56 W HA 0.562 5.223 4.660 0.002 0.000 0.335 56 W C -1.889 174.354 176.519 -0.459 0.000 1.114 56 W CA -0.241 56.674 57.345 -0.717 0.000 1.231 56 W CB 1.600 30.401 29.460 -1.099 0.000 1.388 56 W HN 0.716 nan 8.180 nan 0.000 0.485 57 E N 4.691 124.285 120.200 -1.010 0.000 2.308 57 E HA 0.371 4.722 4.350 0.002 0.000 0.275 57 E C -2.338 173.719 176.600 -0.905 0.000 0.890 57 E CA -0.776 55.107 56.400 -0.862 0.000 0.754 57 E CB 2.174 31.714 29.700 -0.266 0.000 1.207 57 E HN 0.411 nan 8.360 nan 0.000 0.426 58 Y N 2.030 121.708 120.300 -1.036 0.000 2.477 58 Y HA 0.339 4.890 4.550 0.002 0.000 0.347 58 Y C -1.202 174.373 175.900 -0.542 0.000 0.981 58 Y CA -0.592 57.040 58.100 -0.780 0.000 1.033 58 Y CB 2.180 40.126 38.460 -0.857 0.000 1.245 58 Y HN 0.587 nan 8.280 nan 0.000 0.455 59 Q N 4.992 124.243 119.800 -0.915 0.000 2.337 59 Q HA 0.751 5.092 4.340 0.002 0.000 0.266 59 Q C -1.887 173.441 176.000 -1.120 0.000 1.023 59 Q CA -0.652 54.592 55.803 -0.931 0.000 0.829 59 Q CB 1.457 29.529 28.738 -1.111 0.000 1.306 59 Q HN 0.733 nan 8.270 nan 0.000 0.449 60 I N 3.460 123.657 120.570 -0.623 0.000 2.468 60 I HA 0.225 4.396 4.170 0.002 0.000 0.285 60 I C -0.573 175.391 176.117 -0.254 0.000 1.039 60 I CA -1.078 59.962 61.300 -0.432 0.000 1.074 60 I CB 1.876 39.772 38.000 -0.172 0.000 1.228 60 I HN 0.515 nan 8.210 nan 0.000 0.436 61 Q N 3.645 123.291 119.800 -0.257 0.000 2.337 61 Q HA 0.204 4.545 4.340 0.002 0.000 0.270 61 Q C 0.871 176.856 176.000 -0.025 0.000 1.002 61 Q CA 0.197 55.946 55.803 -0.090 0.000 0.888 61 Q CB 1.427 30.139 28.738 -0.043 0.000 1.222 61 Q HN 0.926 nan 8.270 nan 0.000 0.400 62 G N 1.798 110.609 108.800 0.018 0.000 3.651 62 G HA2 -0.039 3.922 3.960 0.002 0.000 0.279 62 G HA3 -0.039 3.922 3.960 0.002 0.000 0.279 62 G C 0.399 175.301 174.900 0.004 0.000 1.024 62 G CA -0.267 44.837 45.100 0.008 0.000 0.813 62 G HN 0.599 nan 8.290 nan 0.000 0.518 63 N N -0.010 118.691 118.700 0.002 0.000 2.204 63 N HA 0.121 4.862 4.740 0.002 0.000 0.219 63 N C -0.115 175.388 175.510 -0.011 0.000 1.151 63 N CA -0.244 52.800 53.050 -0.010 0.000 0.867 63 N CB 0.629 39.097 38.487 -0.032 0.000 1.043 63 N HN 0.300 nan 8.380 nan 0.000 0.516 64 E N 0.988 121.186 120.200 -0.003 0.000 2.235 64 E HA 0.465 4.816 4.350 0.002 0.000 0.265 64 E C -2.272 174.329 176.600 0.002 0.000 0.940 64 E CA -1.923 54.477 56.400 -0.000 0.000 0.819 64 E CB 1.526 31.230 29.700 0.006 0.000 1.206 64 E HN 0.166 nan 8.360 nan 0.000 0.409 65 P HA 0.088 nan 4.420 nan 0.000 0.274 65 P C -0.252 177.053 177.300 0.008 0.000 1.256 65 P CA -0.081 63.022 63.100 0.005 0.000 0.795 65 P CB 0.765 32.468 31.700 0.004 0.000 1.038 66 E N -0.388 119.817 120.200 0.008 0.000 2.427 66 E HA -0.085 4.266 4.350 0.002 0.000 0.196 66 E C 1.618 178.226 176.600 0.013 0.000 1.028 66 E CA 0.861 57.267 56.400 0.011 0.000 0.864 66 E CB -0.017 29.688 29.700 0.009 0.000 0.813 66 E HN 0.489 nan 8.360 nan 0.000 0.514 67 S N 0.211 115.918 115.700 0.012 0.000 2.496 67 S HA -0.077 4.394 4.470 0.002 0.000 0.224 67 S C 0.634 175.244 174.600 0.016 0.000 0.996 67 S CA 0.433 58.641 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 0.040 nan 8.310 nan 0.000 0.524 68 D N 0.717 121.128 120.400 0.017 0.000 2.752 68 D HA 0.222 4.863 4.640 0.002 0.000 0.242 68 D C -1.460 174.855 176.300 0.024 0.000 1.295 68 D CA -0.225 53.788 54.000 0.021 0.000 0.846 68 D CB -0.086 40.724 40.800 0.017 0.000 1.454 68 D HN 0.403 nan 8.370 nan 0.000 0.535 69 N N 1.112 119.829 118.700 0.029 0.000 2.372 69 N HA 0.472 5.213 4.740 0.002 0.000 0.291 69 N C -0.716 174.818 175.510 0.040 0.000 1.024 69 N CA -0.451 52.615 53.050 0.027 0.000 0.873 69 N CB 0.974 39.473 38.487 0.020 0.000 1.206 69 N HN 0.221 nan 8.380 nan 0.000 0.486 70 S N 1.620 117.347 115.700 0.045 0.000 2.509 70 S HA 0.715 5.186 4.470 0.002 0.000 0.297 70 S C -0.443 174.154 174.600 -0.005 0.000 1.118 70 S CA -0.619 57.634 58.200 0.088 0.000 1.074 70 S CB 1.549 64.850 63.200 0.168 0.000 1.038 70 S HN 0.630 nan 8.310 nan 0.000 0.498 71 S N 0.556 116.251 115.700 -0.009 0.000 2.638 71 S HA 0.911 5.382 4.470 0.002 0.000 0.274 71 S C -1.570 172.922 174.600 -0.179 0.000 1.157 71 S CA -1.047 56.913 58.200 -0.399 0.000 0.826 71 S CB 0.716 63.662 63.200 -0.424 0.000 1.139 71 S HN 1.594 nan 8.310 nan 0.000 0.474 72 W N -1.221 119.678 121.300 -0.670 0.000 3.298 72 W HA 0.637 5.298 4.660 0.002 0.000 0.302 72 W C -1.692 174.585 176.519 -0.403 0.000 1.255 72 W CA -0.832 56.287 57.345 -0.376 0.000 1.196 72 W CB 0.311 29.648 29.460 -0.204 0.000 1.364 72 W HN 0.572 nan 8.180 nan 0.000 0.566 73 T N 2.905 117.619 114.554 0.265 0.000 2.749 73 T HA 0.261 4.612 4.350 0.002 0.000 0.295 73 T C 0.986 175.786 174.700 0.166 0.000 0.936 73 T CA -0.351 61.907 62.100 0.263 0.000 1.060 73 T CB 1.155 70.245 68.868 0.371 0.000 0.904 73 T HN 0.512 nan 8.240 nan 0.000 0.500 74 R N 1.870 122.382 120.500 0.020 0.000 2.064 74 R HA 0.199 4.540 4.340 0.002 0.000 0.221 74 R C 0.821 177.099 176.300 -0.036 0.000 1.136 74 R CA 0.540 56.651 56.100 0.017 0.000 0.980 74 R CB 0.203 30.494 30.300 -0.016 0.000 0.876 74 R HN 0.591 nan 8.270 nan 0.000 0.437 75 V N -3.537 116.353 119.914 -0.041 0.000 2.962 75 V HA 0.894 5.015 4.120 0.002 0.000 0.313 75 V C -1.466 174.656 176.094 0.046 0.000 1.099 75 V CA -1.127 61.213 62.300 0.067 0.000 0.971 75 V CB 2.021 33.976 31.823 0.220 0.000 1.028 75 V HN 0.089 nan 8.190 nan 0.000 0.430 76 A N 4.246 127.160 122.820 0.156 0.000 2.562 76 A HA 0.802 5.123 4.320 0.002 0.000 0.297 76 A C -1.129 176.554 177.584 0.165 0.000 1.100 76 A CA -0.292 51.819 52.037 0.125 0.000 0.914 76 A CB 0.381 19.527 19.000 0.244 0.000 1.490 76 A HN 2.175 nan 8.150 nan 0.000 0.391 77 F N -0.094 119.904 119.950 0.080 0.000 2.631 77 F HA 0.940 5.468 4.527 0.002 0.000 0.308 77 F C -0.264 175.578 175.800 0.069 0.000 1.097 77 F CA -0.946 57.084 58.000 0.050 0.000 0.952 77 F CB 1.272 40.291 39.000 0.033 0.000 1.307 77 F HN 0.806 nan 8.300 nan 0.000 0.450 78 A N 1.037 124.015 122.820 0.264 0.000 2.374 78 A HA 1.015 5.336 4.320 0.002 0.000 0.317 78 A C -0.375 177.182 177.584 -0.045 0.000 1.094 78 A CA -0.339 51.751 52.037 0.089 0.000 0.765 78 A CB 1.242 20.297 19.000 0.092 0.000 1.268 78 A HN 1.872 nan 8.150 nan 0.000 0.438 79 G N -0.375 108.130 108.800 -0.490 0.000 2.608 79 G HA2 0.587 4.548 3.960 0.002 0.000 0.291 79 G HA3 0.587 4.548 3.960 0.002 0.000 0.291 79 G C -1.755 172.762 174.900 -0.638 0.000 1.425 79 G CA -0.636 44.066 45.100 -0.663 0.000 0.787 79 G HN 0.755 nan 8.290 nan 0.000 0.484 80 L N -0.049 121.113 121.223 -0.102 0.000 2.370 80 L HA 0.709 5.050 4.340 0.002 0.000 0.266 80 L C -0.318 176.780 176.870 0.380 0.000 1.002 80 L CA -0.904 54.037 54.840 0.169 0.000 0.818 80 L CB 2.655 44.829 42.059 0.192 0.000 1.325 80 L HN 0.517 nan 8.230 nan 0.000 0.418 81 K N 2.161 122.797 120.400 0.393 0.000 2.507 81 K HA 0.481 4.802 4.320 0.002 0.000 0.252 81 K C -1.882 174.885 176.600 0.279 0.000 0.943 81 K CA -0.459 56.012 56.287 0.307 0.000 0.808 81 K CB 1.647 34.287 32.500 0.234 0.000 1.142 81 K HN 0.370 nan 8.250 nan 0.000 0.426 82 F N 2.993 123.001 119.950 0.096 0.000 2.469 82 F HA 0.304 4.832 4.527 0.002 0.000 0.332 82 F C 0.022 175.853 175.800 0.052 0.000 1.103 82 F CA -0.483 57.564 58.000 0.079 0.000 0.979 82 F CB 1.711 40.766 39.000 0.091 0.000 1.137 82 F HN 0.523 nan 8.300 nan 0.000 0.463 83 Q N 3.962 123.432 119.800 -0.550 0.000 2.300 83 Q HA 0.129 4.470 4.340 0.002 0.000 0.280 83 Q C 0.022 175.934 176.000 -0.146 0.000 1.033 83 Q CA 0.881 56.496 55.803 -0.315 0.000 0.903 83 Q CB 0.179 28.702 28.738 -0.358 0.000 1.195 83 Q HN 0.715 nan 8.270 nan 0.000 0.386 84 D N 1.863 122.239 120.400 -0.040 0.000 3.039 84 D HA -0.181 4.460 4.640 0.002 0.000 0.222 84 D C 0.052 176.445 176.300 0.155 0.000 1.179 84 D CA 1.117 55.149 54.000 0.053 0.000 0.880 84 D CB -1.328 39.524 40.800 0.086 0.000 1.115 84 D HN 0.345 nan 8.370 nan 0.000 0.416 85 V N -1.855 118.149 119.914 0.151 0.000 3.251 85 V HA 0.577 4.698 4.120 0.002 0.000 0.239 85 V C 1.288 177.429 176.094 0.077 0.000 1.332 85 V CA 0.952 63.408 62.300 0.260 0.000 1.224 85 V CB 1.162 33.269 31.823 0.472 0.000 1.004 85 V HN 0.595 nan 8.190 nan 0.000 0.464 86 G N 0.705 109.503 108.800 -0.003 0.000 2.331 86 G HA2 0.234 4.195 3.960 0.002 0.000 0.402 86 G HA3 0.234 4.195 3.960 0.002 0.000 0.402 86 G C -0.605 174.234 174.900 -0.103 0.000 1.275 86 G CA -0.063 44.894 45.100 -0.238 0.000 1.003 86 G HN 0.918 nan 8.290 nan 0.000 0.500 87 S N -1.308 114.245 115.700 -0.245 0.000 2.599 87 S HA 0.873 5.344 4.470 0.002 0.000 0.294 87 S C -1.124 173.522 174.600 0.076 0.000 1.094 87 S CA -0.575 57.638 58.200 0.021 0.000 0.931 87 S CB 2.485 65.727 63.200 0.070 0.000 1.093 87 S HN 1.940 nan 8.310 nan 0.000 0.488 88 F N 1.538 121.555 119.950 0.112 0.000 2.547 88 F HA 0.669 5.197 4.527 0.002 0.000 0.316 88 F C -1.857 174.028 175.800 0.141 0.000 1.121 88 F CA -0.494 57.591 58.000 0.143 0.000 0.911 88 F CB 1.679 40.790 39.000 0.185 0.000 1.179 88 F HN 0.919 nan 8.300 nan 0.000 0.443 89 D N 3.430 123.400 120.400 -0.717 0.000 2.661 89 D HA 0.379 5.020 4.640 0.002 0.000 0.228 89 D C -2.065 173.866 176.300 -0.616 0.000 1.183 89 D CA -0.559 53.134 54.000 -0.513 0.000 0.844 89 D CB 1.905 42.635 40.800 -0.117 0.000 1.555 89 D HN 0.474 nan 8.370 nan 0.000 0.453 90 Y N 0.429 120.530 120.300 -0.331 0.000 2.442 90 Y HA 0.701 5.252 4.550 0.002 0.000 0.344 90 Y C 0.142 176.099 175.900 0.096 0.000 0.976 90 Y CA 0.326 58.359 58.100 -0.112 0.000 1.040 90 Y CB 1.906 40.380 38.460 0.024 0.000 1.228 90 Y HN 0.958 nan 8.280 nan 0.000 0.451 91 G N 4.299 112.681 108.800 -0.698 0.000 2.373 91 G HA2 0.078 4.039 3.960 0.002 0.000 0.250 91 G HA3 0.078 4.039 3.960 0.002 0.000 0.250 91 G C -1.761 172.988 174.900 -0.252 0.000 1.304 91 G CA -1.197 43.648 45.100 -0.425 0.000 0.948 91 G HN 0.739 nan 8.290 nan 0.000 0.474 92 R N 0.781 121.268 120.500 -0.021 0.000 2.265 92 R HA 0.603 4.944 4.340 0.002 0.000 0.314 92 R C -0.335 176.071 176.300 0.178 0.000 1.053 92 R CA -0.209 55.915 56.100 0.040 0.000 0.931 92 R CB 0.509 30.835 30.300 0.044 0.000 1.024 92 R HN 0.646 nan 8.270 nan 0.000 0.457 93 N N 2.193 121.018 118.700 0.208 0.000 3.449 93 N HA 0.169 4.910 4.740 0.002 0.000 0.312 93 N C -1.876 173.603 175.510 -0.052 0.000 1.557 93 N CA -0.638 52.473 53.050 0.102 0.000 0.864 93 N CB 0.569 39.017 38.487 -0.065 0.000 1.799 93 N HN 0.363 nan 8.380 nan 0.000 0.554 94 Y N 0.694 120.890 120.300 -0.174 0.000 2.327 94 Y HA 0.451 5.002 4.550 0.002 0.000 0.336 94 Y C 1.450 176.945 175.900 -0.675 0.000 1.035 94 Y CA -0.131 57.792 58.100 -0.294 0.000 1.165 94 Y CB 0.932 39.286 38.460 -0.176 0.000 1.181 94 Y HN 0.485 nan 8.280 nan 0.000 0.494 95 G N 1.683 110.113 108.800 -0.615 0.000 2.491 95 G HA2 0.107 4.068 3.960 0.002 0.000 0.238 95 G HA3 0.107 4.068 3.960 0.002 0.000 0.238 95 G C 0.941 175.652 174.900 -0.314 0.000 1.277 95 G CA -0.437 44.223 45.100 -0.734 0.000 0.851 95 G HN 0.707 nan 8.290 nan 0.000 0.573 96 V N 2.683 122.416 119.914 -0.302 0.000 2.594 96 V HA -0.174 3.947 4.120 0.002 0.000 0.253 96 V C 2.891 178.907 176.094 -0.131 0.000 1.069 96 V CA 1.917 64.114 62.300 -0.173 0.000 1.082 96 V CB -0.334 31.407 31.823 -0.137 0.000 0.680 96 V HN 0.535 nan 8.190 nan 0.000 0.469 97 V N -0.605 119.234 119.914 -0.125 0.000 2.317 97 V HA -0.333 3.788 4.120 0.002 0.000 0.251 97 V C 2.211 178.207 176.094 -0.164 0.000 1.065 97 V CA 2.705 64.920 62.300 -0.141 0.000 1.049 97 V CB -1.043 30.700 31.823 -0.133 0.000 0.651 97 V HN 0.749 nan 8.190 nan 0.000 0.450 98 Y N 1.353 121.504 120.300 -0.248 0.000 2.483 98 Y HA -0.195 4.356 4.550 0.002 0.000 0.291 98 Y C 2.109 177.864 175.900 -0.242 0.000 1.143 98 Y CA 1.250 59.209 58.100 -0.234 0.000 1.289 98 Y CB -0.392 38.008 38.460 -0.101 0.000 0.983 98 Y HN 0.379 nan 8.280 nan 0.000 0.556 99 D N -1.054 119.213 120.400 -0.221 0.000 2.221 99 D HA -0.152 4.489 4.640 0.002 0.000 0.204 99 D C 2.022 177.998 176.300 -0.540 0.000 0.982 99 D CA 1.449 55.286 54.000 -0.272 0.000 0.857 99 D CB 0.033 40.734 40.800 -0.166 0.000 0.934 99 D HN 0.330 nan 8.370 nan 0.000 0.475 100 V N 0.035 119.559 119.914 -0.650 0.000 2.806 100 V HA -0.078 4.043 4.120 0.002 0.000 0.239 100 V C 2.515 178.122 176.094 -0.811 0.000 1.113 100 V CA 1.336 63.004 62.300 -1.054 0.000 1.137 100 V CB -0.302 31.072 31.823 -0.747 0.000 0.865 100 V HN 0.230 nan 8.190 nan 0.000 0.482 101 T N -0.082 114.169 114.554 -0.506 0.000 2.881 101 T HA -0.198 4.153 4.350 0.002 0.000 0.270 101 T C 1.998 176.502 174.700 -0.326 0.000 1.068 101 T CA 1.734 63.648 62.100 -0.310 0.000 1.131 101 T CB -0.620 68.106 68.868 -0.237 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.249 115.514 115.700 -0.725 0.000 2.419 102 S HA -0.148 4.323 4.470 0.002 0.000 0.235 102 S C 1.654 176.200 174.600 -0.090 0.000 1.019 102 S CA 0.743 58.482 58.200 -0.768 0.000 0.982 102 S CB -1.091 61.405 63.200 -1.172 0.000 0.789 102 S HN 0.681 nan 8.310 nan 0.000 0.490 103 W N 2.919 124.116 121.300 -0.173 0.000 2.364 103 W HA 0.045 4.706 4.660 0.002 0.000 0.281 103 W C 2.543 179.125 176.519 0.105 0.000 1.219 103 W CA 1.341 58.688 57.345 0.003 0.000 1.220 103 W CB -1.606 27.851 29.460 -0.005 0.000 1.127 103 W HN 0.638 nan 8.180 nan 0.000 0.556 104 T N -4.083 110.615 114.554 0.239 0.000 3.040 104 T HA 0.018 4.369 4.350 0.002 0.000 0.250 104 T C 0.565 175.341 174.700 0.127 0.000 1.058 104 T CA 0.130 62.333 62.100 0.170 0.000 0.988 104 T CB 0.025 68.938 68.868 0.074 0.000 0.993 104 T HN -0.211 nan 8.240 nan 0.000 0.519 105 D N 2.674 123.146 120.400 0.119 0.000 2.994 105 D HA 0.168 4.809 4.640 0.002 0.000 0.240 105 D C 0.956 177.301 176.300 0.074 0.000 1.195 105 D CA -0.251 53.828 54.000 0.132 0.000 0.957 105 D CB -0.068 40.870 40.800 0.230 0.000 1.105 105 D HN 0.399 nan 8.370 nan 0.000 0.477 106 V N -0.868 119.067 119.914 0.035 0.000 3.199 106 V HA 0.339 4.460 4.120 0.002 0.000 0.331 106 V C 0.496 176.562 176.094 -0.046 0.000 1.446 106 V CA -0.563 61.705 62.300 -0.052 0.000 1.120 106 V CB -0.684 31.027 31.823 -0.187 0.000 1.051 106 V HN 0.026 nan 8.190 nan 0.000 0.495 107 L N 0.603 121.824 121.223 -0.003 0.000 2.466 107 L HA 0.391 4.732 4.340 0.002 0.000 0.257 107 L C -0.907 175.884 176.870 -0.131 0.000 1.189 107 L CA -1.419 53.412 54.840 -0.016 0.000 0.813 107 L CB 0.424 42.525 42.059 0.068 0.000 1.118 107 L HN 0.031 nan 8.230 nan 0.000 0.471 108 P HA -0.167 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 1.185 63.930 63.100 -0.592 0.000 0.853 108 P CB 0.401 31.685 31.700 -0.692 0.000 0.788 109 E N -3.144 116.743 120.200 -0.522 0.000 2.684 109 E HA 0.140 4.491 4.350 0.002 0.000 0.204 109 E C 0.636 176.993 176.600 -0.405 0.000 0.900 109 E CA 0.051 56.168 56.400 -0.472 0.000 1.481 109 E CB -0.317 29.044 29.700 -0.565 0.000 1.468 109 E HN -0.113 nan 8.360 nan 0.000 0.778 110 F N 0.943 120.893 119.950 0.000 0.000 2.139 110 F HA 0.637 5.165 4.527 0.002 0.000 0.273 110 F C 1.550 177.394 175.800 0.074 0.000 1.058 110 F CA 0.450 58.459 58.000 0.016 0.000 1.149 110 F CB -0.373 38.592 39.000 -0.059 0.000 1.739 110 F HN 0.184 nan 8.300 nan 0.000 0.536 111 G N -1.137 107.900 108.800 0.395 0.000 2.756 111 G HA2 0.389 4.351 3.960 0.002 0.000 0.678 111 G HA3 0.389 4.351 3.960 0.002 0.000 0.678 111 G C 0.464 175.435 174.900 0.118 0.000 1.349 111 G CA -0.256 44.990 45.100 0.243 0.000 0.847 111 G HN 1.876 nan 8.290 nan 0.000 0.548 112 G N -0.861 107.965 108.800 0.043 0.000 2.179 112 G HA2 0.035 3.996 3.960 0.002 0.000 0.257 112 G HA3 0.035 3.996 3.960 0.002 0.000 0.257 112 G C 0.497 175.106 174.900 -0.485 0.000 1.010 112 G CA 1.377 46.438 45.100 -0.066 0.000 0.736 112 G HN 2.331 nan 8.290 nan 0.000 0.513 113 D N -0.787 119.421 120.400 -0.320 0.000 2.650 113 D HA 0.150 4.791 4.640 0.002 0.000 0.265 113 D C 1.466 177.630 176.300 -0.227 0.000 1.339 113 D CA 0.545 54.363 54.000 -0.304 0.000 0.816 113 D CB -0.682 40.079 40.800 -0.065 0.000 1.091 113 D HN 0.430 nan 8.370 nan 0.000 0.483 114 T N -2.235 112.168 114.554 -0.250 0.000 3.219 114 T HA 0.215 4.566 4.350 0.002 0.000 0.249 114 T C 0.263 175.027 174.700 0.106 0.000 1.099 114 T CA 0.024 62.102 62.100 -0.036 0.000 0.988 114 T CB -0.886 68.009 68.868 0.045 0.000 0.999 114 T HN 0.374 nan 8.240 nan 0.000 0.550 115 Y N -2.208 118.128 120.300 0.061 0.000 2.764 115 Y HA 0.776 5.328 4.550 0.002 0.000 0.331 115 Y C -1.454 174.481 175.900 0.059 0.000 1.280 115 Y CA -1.810 56.338 58.100 0.079 0.000 1.065 115 Y CB 0.667 39.187 38.460 0.100 0.000 1.319 115 Y HN -0.107 nan 8.280 nan 0.000 0.453 116 D N -0.096 120.459 120.400 0.260 0.000 2.531 116 D HA 0.399 5.040 4.640 0.002 0.000 0.244 116 D C -1.055 175.333 176.300 0.147 0.000 1.090 116 D CA -0.742 53.320 54.000 0.104 0.000 0.989 116 D CB 2.346 43.163 40.800 0.029 0.000 1.433 116 D HN 0.562 nan 8.370 nan 0.000 0.492 117 S N 0.385 116.100 115.700 0.025 0.000 2.572 117 S HA 0.032 4.503 4.470 0.002 0.000 0.279 117 S C 0.087 174.666 174.600 -0.036 0.000 1.341 117 S CA -0.108 58.074 58.200 -0.030 0.000 1.043 117 S CB 0.236 63.365 63.200 -0.119 0.000 0.887 117 S HN 0.447 nan 8.310 nan 0.000 0.516 118 D N 1.268 121.642 120.400 -0.043 0.000 2.689 118 D HA -0.194 4.447 4.640 0.002 0.000 0.237 118 D C -0.243 176.011 176.300 -0.077 0.000 1.148 118 D CA 0.644 54.601 54.000 -0.072 0.000 0.656 118 D CB -1.234 39.507 40.800 -0.098 0.000 1.050 118 D HN 0.717 nan 8.370 nan 0.000 0.426 119 N N 0.328 119.020 118.700 -0.013 0.000 2.813 119 N HA 0.239 4.980 4.740 0.002 0.000 0.282 119 N C 0.387 175.977 175.510 0.134 0.000 1.748 119 N CA -0.446 52.625 53.050 0.035 0.000 0.860 119 N CB 0.429 39.029 38.487 0.189 0.000 1.204 119 N HN -0.061 nan 8.380 nan 0.000 0.490 120 F N -0.075 119.948 119.950 0.121 0.000 2.169 120 F HA -0.406 4.122 4.527 0.002 0.000 0.314 120 F C 1.256 177.161 175.800 0.175 0.000 0.318 120 F CA 1.142 59.200 58.000 0.096 0.000 0.904 120 F CB -0.594 38.440 39.000 0.057 0.000 4.078 120 F HN 0.278 nan 8.300 nan 0.000 0.173 121 M N 0.262 120.094 119.600 0.387 0.000 2.549 121 M HA 0.135 4.616 4.480 0.002 0.000 0.273 121 M C 1.026 177.401 176.300 0.124 0.000 1.213 121 M CA 0.300 55.799 55.300 0.332 0.000 0.976 121 M CB 0.156 32.909 32.600 0.256 0.000 1.457 121 M HN 0.436 nan 8.290 nan 0.000 0.485 122 Q N 0.072 119.948 119.800 0.127 0.000 2.212 122 Q HA 0.055 4.396 4.340 0.002 0.000 0.199 122 Q C 1.379 177.321 176.000 -0.097 0.000 0.950 122 Q CA 0.887 56.676 55.803 -0.023 0.000 0.863 122 Q CB 0.640 29.395 28.738 0.028 0.000 0.944 122 Q HN 0.540 nan 8.270 nan 0.000 0.465 123 Q N -0.748 119.062 119.800 0.016 0.000 2.860 123 Q HA 0.282 4.623 4.340 0.002 0.000 0.401 123 Q C -0.837 175.110 176.000 -0.088 0.000 0.669 123 Q CA -0.617 55.154 55.803 -0.052 0.000 0.916 123 Q CB 1.122 29.896 28.738 0.061 0.000 1.310 123 Q HN 0.011 nan 8.270 nan 0.000 0.394 124 R N -0.421 119.925 120.500 -0.257 0.000 2.643 124 R HA 0.495 4.836 4.340 0.002 0.000 0.270 124 R C -0.020 176.284 176.300 0.007 0.000 1.061 124 R CA 0.682 56.599 56.100 -0.306 0.000 1.107 124 R CB 0.516 30.543 30.300 -0.455 0.000 0.999 124 R HN 0.629 nan 8.270 nan 0.000 0.460 125 G N 1.047 109.929 108.800 0.137 0.000 2.523 125 G HA2 0.149 4.110 3.960 0.002 0.000 0.291 125 G HA3 0.149 4.110 3.960 0.002 0.000 0.291 125 G C -1.574 173.176 174.900 -0.250 0.000 1.450 125 G CA -1.014 44.064 45.100 -0.037 0.000 0.790 125 G HN 0.596 nan 8.290 nan 0.000 0.496 126 N N -0.319 118.169 118.700 -0.353 0.000 2.518 126 N HA 0.471 5.212 4.740 0.002 0.000 0.283 126 N C 0.832 176.049 175.510 -0.489 0.000 1.119 126 N CA 0.655 53.514 53.050 -0.318 0.000 0.983 126 N CB 1.423 39.801 38.487 -0.180 0.000 1.139 126 N HN 1.568 nan 8.380 nan 0.000 0.465 127 G N 0.923 109.485 108.800 -0.398 0.000 2.256 127 G HA2 -0.260 3.701 3.960 0.002 0.000 0.272 127 G HA3 -0.260 3.701 3.960 0.002 0.000 0.272 127 G C -0.724 174.034 174.900 -0.238 0.000 1.076 127 G CA -0.461 44.452 45.100 -0.311 0.000 0.882 127 G HN 0.394 nan 8.290 nan 0.000 0.497 128 F N 0.744 120.590 119.950 -0.173 0.000 2.424 128 F HA 0.617 5.145 4.527 0.002 0.000 0.356 128 F C 0.789 176.607 175.800 0.029 0.000 1.110 128 F CA -0.517 57.459 58.000 -0.040 0.000 1.161 128 F CB 1.700 40.645 39.000 -0.091 0.000 1.115 128 F HN 0.404 nan 8.300 nan 0.000 0.507 129 A N 3.055 126.156 122.820 0.470 0.000 2.253 129 A HA 0.669 4.990 4.320 0.002 0.000 0.316 129 A C -0.343 177.425 177.584 0.306 0.000 1.327 129 A CA -0.401 51.898 52.037 0.437 0.000 0.917 129 A CB 0.005 19.399 19.000 0.657 0.000 1.162 129 A HN 0.676 nan 8.150 nan 0.000 0.535 130 T N 2.472 117.025 114.554 -0.001 0.000 2.809 130 T HA 0.422 4.773 4.350 0.002 0.000 0.284 130 T C -0.973 173.788 174.700 0.101 0.000 0.992 130 T CA -0.125 61.993 62.100 0.031 0.000 0.957 130 T CB 0.652 69.445 68.868 -0.126 0.000 0.942 130 T HN 0.512 nan 8.240 nan 0.000 0.439 131 Y N 3.411 123.807 120.300 0.160 0.000 2.342 131 Y HA 0.649 5.200 4.550 0.002 0.000 0.334 131 Y C -0.038 175.856 175.900 -0.010 0.000 1.067 131 Y CA -0.920 57.281 58.100 0.169 0.000 1.128 131 Y CB 0.838 39.440 38.460 0.237 0.000 1.200 131 Y HN 0.520 nan 8.280 nan 0.000 0.464 132 R N 4.402 124.368 120.500 -0.890 0.000 2.673 132 R HA 0.333 4.674 4.340 0.002 0.000 0.281 132 R C -1.628 174.027 176.300 -1.075 0.000 0.991 132 R CA -1.153 54.498 56.100 -0.749 0.000 0.896 132 R CB 1.786 31.846 30.300 -0.400 0.000 1.201 132 R HN 0.629 nan 8.270 nan 0.000 0.457 133 N N 1.413 119.543 118.700 -0.951 0.000 2.410 133 N HA 0.224 4.965 4.740 0.002 0.000 0.287 133 N C -1.546 173.658 175.510 -0.510 0.000 1.044 133 N CA -0.241 52.293 53.050 -0.859 0.000 0.881 133 N CB 2.174 39.926 38.487 -1.224 0.000 1.405 133 N HN 0.650 nan 8.380 nan 0.000 0.490 134 T N 0.119 114.487 114.554 -0.310 0.000 2.797 134 T HA 0.390 4.741 4.350 0.002 0.000 0.279 134 T C -0.264 174.418 174.700 -0.030 0.000 0.991 134 T CA -0.438 61.585 62.100 -0.128 0.000 0.979 134 T CB 1.001 69.799 68.868 -0.116 0.000 0.943 134 T HN 0.478 nan 8.240 nan 0.000 0.444 135 D N 0.663 121.114 120.400 0.085 0.000 2.945 135 D HA -0.207 4.434 4.640 0.002 0.000 0.225 135 D C 0.051 176.530 176.300 0.298 0.000 1.158 135 D CA 0.898 55.002 54.000 0.173 0.000 0.805 135 D CB -1.789 39.078 40.800 0.112 0.000 1.098 135 D HN 0.885 nan 8.370 nan 0.000 0.426 136 F N -0.099 119.936 119.950 0.142 0.000 2.384 136 F HA -0.330 4.198 4.527 0.002 0.000 0.199 136 F C 0.376 176.384 175.800 0.348 0.000 1.027 136 F CA 0.929 59.091 58.000 0.270 0.000 0.870 136 F CB -1.552 37.664 39.000 0.362 0.000 0.895 136 F HN 0.162 nan 8.300 nan 0.000 0.818 137 F N 1.130 121.063 119.950 -0.027 0.000 3.100 137 F HA -0.239 4.290 4.527 0.002 0.000 0.284 137 F C 1.588 177.425 175.800 0.061 0.000 0.875 137 F CA 1.471 59.456 58.000 -0.025 0.000 1.039 137 F CB -1.529 37.397 39.000 -0.122 0.000 1.111 137 F HN 1.150 nan 8.300 nan 0.000 0.575 138 G N -0.749 108.165 108.800 0.190 0.000 2.162 138 G HA2 -0.342 3.619 3.960 0.002 0.000 0.260 138 G HA3 -0.342 3.619 3.960 0.002 0.000 0.260 138 G C 0.804 175.824 174.900 0.200 0.000 0.976 138 G CA 0.370 45.567 45.100 0.162 0.000 0.655 138 G HN 0.546 nan 8.290 nan 0.000 0.533 139 L N -0.822 120.577 121.223 0.294 0.000 2.408 139 L HA 0.302 4.643 4.340 0.002 0.000 0.215 139 L C 0.638 177.660 176.870 0.254 0.000 1.081 139 L CA 0.566 55.578 54.840 0.287 0.000 0.840 139 L CB 0.468 42.762 42.059 0.391 0.000 1.002 139 L HN 0.122 nan 8.230 nan 0.000 0.468 140 V N 0.258 120.351 119.914 0.298 0.000 2.385 140 V HA 0.216 4.337 4.120 0.002 0.000 0.277 140 V C -0.929 175.316 176.094 0.253 0.000 1.012 140 V CA -0.988 61.454 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 0.040 nan 8.190 nan 0.000 0.436 141 D N 3.961 124.488 120.400 0.211 0.000 2.472 141 D HA 0.349 4.990 4.640 0.002 0.000 0.248 141 D C 1.300 177.716 176.300 0.194 0.000 1.174 141 D CA 1.882 55.987 54.000 0.176 0.000 0.883 141 D CB 1.400 42.286 40.800 0.144 0.000 1.149 141 D HN 0.966 nan 8.370 nan 0.000 0.488 142 G N 1.882 110.760 108.800 0.129 0.000 2.194 142 G HA2 -0.265 3.696 3.960 0.002 0.000 0.236 142 G HA3 -0.265 3.696 3.960 0.002 0.000 0.236 142 G C 0.128 175.130 174.900 0.172 0.000 0.987 142 G CA -0.238 44.885 45.100 0.038 0.000 0.635 142 G HN 0.470 nan 8.290 nan 0.000 0.520 143 L N 2.540 123.961 121.223 0.329 0.000 2.268 143 L HA 0.698 5.039 4.340 0.002 0.000 0.289 143 L C -0.925 176.147 176.870 0.338 0.000 1.064 143 L CA -0.987 54.092 54.840 0.400 0.000 0.824 143 L CB 0.848 43.128 42.059 0.368 0.000 1.202 143 L HN 0.111 nan 8.230 nan 0.000 0.433 144 D N 5.066 125.641 120.400 0.292 0.000 2.342 144 D HA 0.647 5.288 4.640 0.002 0.000 0.243 144 D C -0.770 175.725 176.300 0.325 0.000 1.019 144 D CA 0.242 54.367 54.000 0.208 0.000 0.864 144 D CB 1.816 42.673 40.800 0.096 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.028 118.983 119.950 0.101 0.000 2.686 145 F HA 0.839 5.367 4.527 0.002 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 1.302 40.406 39.000 0.172 0.000 1.336 145 F HN 0.373 nan 8.300 nan 0.000 0.457 146 A N 1.687 124.648 122.820 0.234 0.000 2.455 146 A HA 0.772 5.093 4.320 0.002 0.000 0.300 146 A C -2.082 175.645 177.584 0.239 0.000 1.040 146 A CA -0.826 51.282 52.037 0.118 0.000 0.697 146 A CB 1.661 20.661 19.000 -0.000 0.000 1.265 146 A HN 0.942 nan 8.150 nan 0.000 0.407 147 V N 1.972 122.048 119.914 0.270 0.000 2.495 147 V HA 0.649 4.770 4.120 0.002 0.000 0.298 147 V C -0.132 176.000 176.094 0.064 0.000 1.031 147 V CA -0.371 62.017 62.300 0.146 0.000 0.871 147 V CB 1.558 33.491 31.823 0.183 0.000 0.988 147 V HN 0.957 nan 8.190 nan 0.000 0.432 148 Q N 2.820 122.547 119.800 -0.122 0.000 2.331 148 Q HA 0.579 4.920 4.340 0.002 0.000 0.272 148 Q C -2.175 173.690 176.000 -0.225 0.000 1.062 148 Q CA -0.638 55.130 55.803 -0.059 0.000 0.806 148 Q CB 2.525 31.240 28.738 -0.038 0.000 1.312 148 Q HN 0.724 nan 8.270 nan 0.000 0.431 149 Y N 1.032 121.476 120.300 0.240 0.000 2.393 149 Y HA 0.370 4.921 4.550 0.002 0.000 0.341 149 Y C -0.370 175.703 175.900 0.288 0.000 0.988 149 Y CA -0.721 57.517 58.100 0.231 0.000 1.078 149 Y CB 2.076 40.658 38.460 0.202 0.000 1.203 149 Y HN 0.496 nan 8.280 nan 0.000 0.453 150 Q N 1.952 121.968 119.800 0.361 0.000 2.325 150 Q HA 0.583 4.924 4.340 0.002 0.000 0.270 150 Q C -0.375 175.705 176.000 0.134 0.000 1.020 150 Q CA -0.802 55.112 55.803 0.185 0.000 0.785 150 Q CB 1.543 30.315 28.738 0.056 0.000 1.259 150 Q HN 0.982 nan 8.270 nan 0.000 0.452 151 G N 2.943 111.806 108.800 0.106 0.000 2.467 151 G HA2 0.093 4.054 3.960 0.002 0.000 0.257 151 G HA3 0.093 4.054 3.960 0.002 0.000 0.257 151 G C -0.613 174.310 174.900 0.037 0.000 1.227 151 G CA -0.483 44.674 45.100 0.094 0.000 0.835 151 G HN 0.737 nan 8.290 nan 0.000 0.556 152 K N 1.285 121.713 120.400 0.048 0.000 2.513 152 K HA -0.089 4.232 4.320 0.002 0.000 0.275 152 K C -0.461 176.142 176.600 0.006 0.000 1.025 152 K CA 0.485 56.792 56.287 0.033 0.000 1.125 152 K CB 0.035 32.559 32.500 0.040 0.000 0.843 152 K HN 0.448 nan 8.250 nan 0.000 0.486 153 N N 3.173 121.864 118.700 -0.015 0.000 2.518 153 N HA 0.231 4.972 4.740 0.002 0.000 0.254 153 N C -0.225 175.274 175.510 -0.019 0.000 0.979 153 N CA -0.348 52.683 53.050 -0.032 0.000 0.930 153 N CB 1.942 40.385 38.487 -0.073 0.000 1.152 153 N HN 0.749 nan 8.380 nan 0.000 0.505 154 G N 0.335 109.131 108.800 -0.007 0.000 2.890 154 G HA2 0.428 4.389 3.960 0.002 0.000 0.189 154 G HA3 0.428 4.389 3.960 0.002 0.000 0.189 154 G C -0.136 174.766 174.900 0.004 0.000 1.342 154 G CA -0.352 44.754 45.100 0.011 0.000 1.026 154 G HN 0.413 nan 8.290 nan 0.000 0.579 155 S N -1.013 114.698 115.700 0.018 0.000 2.632 155 S HA 0.507 4.978 4.470 0.002 0.000 0.267 155 S C 1.245 175.814 174.600 -0.052 0.000 1.276 155 S CA 0.218 58.425 58.200 0.012 0.000 0.998 155 S CB 1.574 64.811 63.200 0.061 0.000 0.953 155 S HN 1.177 nan 8.310 nan 0.000 0.547 156 A N 0.010 122.765 122.820 -0.109 0.000 2.119 156 A HA 0.171 4.492 4.320 0.002 0.000 0.216 156 A C 0.637 177.848 177.584 -0.622 0.000 1.152 156 A CA 0.528 52.354 52.037 -0.352 0.000 0.708 156 A CB -0.502 18.252 19.000 -0.410 0.000 0.805 156 A HN 0.844 nan 8.150 nan 0.000 0.460 157 H N -2.374 116.708 119.070 0.019 0.000 2.930 157 H HA 0.469 5.026 4.556 0.002 0.000 0.371 157 H C 0.766 176.099 175.328 0.008 0.000 1.169 157 H CA -0.190 55.866 56.048 0.013 0.000 1.157 157 H CB 1.065 30.836 29.762 0.015 0.000 1.789 157 H HN 0.583 nan 8.280 nan 0.000 0.547 158 G N 2.104 110.973 108.800 0.115 0.000 2.539 158 G HA2 -0.263 3.698 3.960 0.002 0.000 0.256 158 G HA3 -0.263 3.698 3.960 0.002 0.000 0.256 158 G C -0.334 174.561 174.900 -0.009 0.000 1.233 158 G CA -0.136 44.988 45.100 0.039 0.000 0.936 158 G HN 0.645 nan 8.290 nan 0.000 0.571 159 E N 1.181 121.343 120.200 -0.063 0.000 2.413 159 E HA 0.390 4.741 4.350 0.002 0.000 0.263 159 E C 1.194 177.771 176.600 -0.039 0.000 1.015 159 E CA 1.171 57.506 56.400 -0.108 0.000 0.916 159 E CB 0.307 29.843 29.700 -0.274 0.000 0.947 159 E HN 2.206 nan 8.360 nan 0.000 0.440 160 G N 2.879 111.665 108.800 -0.023 0.000 2.143 160 G HA2 -0.354 3.607 3.960 0.002 0.000 0.248 160 G HA3 -0.354 3.607 3.960 0.002 0.000 0.248 160 G C 0.214 175.127 174.900 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 2.143 121.744 119.600 0.003 0.000 2.239 161 M HA 0.490 4.972 4.480 0.002 0.000 0.348 161 M C 0.983 177.277 176.300 -0.011 0.000 1.239 161 M CA 0.949 56.243 55.300 -0.010 0.000 1.114 161 M CB 0.514 33.103 32.600 -0.019 0.000 1.641 161 M HN 0.543 nan 8.290 nan 0.000 0.453 162 T N 0.204 114.747 114.554 -0.018 0.000 2.930 162 T HA 0.269 4.620 4.350 0.002 0.000 0.290 162 T C 0.697 175.383 174.700 -0.024 0.000 1.052 162 T CA -0.456 61.636 62.100 -0.013 0.000 1.017 162 T CB 1.547 70.412 68.868 -0.004 0.000 1.137 162 T HN 0.722 nan 8.240 nan 0.000 0.511 163 T N 0.884 115.431 114.554 -0.012 0.000 2.803 163 T HA -0.130 4.221 4.350 0.002 0.000 0.269 163 T C 1.220 175.909 174.700 -0.018 0.000 1.052 163 T CA 1.802 63.895 62.100 -0.013 0.000 1.136 163 T CB -0.858 68.011 68.868 0.002 0.000 0.864 163 T HN 0.793 nan 8.240 nan 0.000 0.467 164 N N 0.689 119.380 118.700 -0.013 0.000 2.380 164 N HA 0.239 4.981 4.740 0.002 0.000 0.255 164 N C 0.482 175.973 175.510 -0.032 0.000 1.158 164 N CA -0.260 52.780 53.050 -0.017 0.000 0.878 164 N CB -0.357 38.127 38.487 -0.005 0.000 1.138 164 N HN 0.323 nan 8.380 nan 0.000 0.509 165 G N 1.177 109.948 108.800 -0.048 0.000 2.554 165 G HA2 0.277 4.238 3.960 0.002 0.000 0.238 165 G HA3 0.277 4.238 3.960 0.002 0.000 0.238 165 G C 0.084 174.951 174.900 -0.054 0.000 1.259 165 G CA -0.440 44.627 45.100 -0.055 0.000 0.843 165 G HN 0.528 nan 8.290 nan 0.000 0.582 166 R N 1.280 121.758 120.500 -0.036 0.000 2.621 166 R HA 0.342 4.683 4.340 0.002 0.000 0.284 166 R C -1.121 175.179 176.300 0.000 0.000 0.998 166 R CA -0.943 55.143 56.100 -0.022 0.000 0.895 166 R CB 1.474 31.760 30.300 -0.023 0.000 1.195 166 R HN 0.345 nan 8.270 nan 0.000 0.450 167 D N 0.218 120.629 120.400 0.019 0.000 2.323 167 D HA -0.063 4.578 4.640 0.002 0.000 0.209 167 D C -0.354 175.969 176.300 0.039 0.000 0.973 167 D CA 0.945 54.973 54.000 0.047 0.000 0.874 167 D CB 0.242 41.090 40.800 0.080 0.000 0.930 167 D HN 0.517 nan 8.370 nan 0.000 0.521 168 D N 0.847 121.265 120.400 0.031 0.000 2.342 168 D HA -0.028 4.613 4.640 0.002 0.000 0.260 168 D C 1.396 177.716 176.300 0.033 0.000 1.278 168 D CA -0.120 53.907 54.000 0.045 0.000 0.910 168 D CB 1.286 42.118 40.800 0.053 0.000 1.079 168 D HN -0.229 nan 8.370 nan 0.000 0.496 169 V N 4.474 124.379 119.914 -0.014 0.000 2.469 169 V HA -0.265 3.856 4.120 0.002 0.000 0.251 169 V C 1.749 177.826 176.094 -0.030 0.000 1.064 169 V CA 1.413 63.679 62.300 -0.057 0.000 1.066 169 V CB -0.604 31.122 31.823 -0.161 0.000 0.667 169 V HN 0.549 nan 8.190 nan 0.000 0.461 170 F N 0.145 120.140 119.950 0.076 0.000 2.604 170 F HA -0.021 4.507 4.527 0.002 0.000 0.298 170 F C 2.084 177.883 175.800 -0.002 0.000 1.131 170 F CA 0.941 58.983 58.000 0.071 0.000 1.457 170 F CB -0.204 38.724 39.000 -0.120 0.000 1.095 170 F HN 0.267 nan 8.300 nan 0.000 0.574 171 E N -0.837 119.415 120.200 0.087 0.000 2.501 171 E HA 0.079 4.430 4.350 0.002 0.000 0.201 171 E C 0.411 176.955 176.600 -0.093 0.000 1.016 171 E CA -0.112 56.271 56.400 -0.028 0.000 0.920 171 E CB 0.268 29.951 29.700 -0.028 0.000 1.023 171 E HN 0.433 nan 8.360 nan 0.000 0.474 172 Q N 1.371 121.117 119.800 -0.090 0.000 2.212 172 Q HA 0.320 4.661 4.340 0.002 0.000 0.238 172 Q C -0.145 175.742 176.000 -0.189 0.000 0.955 172 Q CA -0.493 55.255 55.803 -0.092 0.000 0.906 172 Q CB 1.101 29.828 28.738 -0.018 0.000 1.215 172 Q HN 0.128 nan 8.270 nan 0.000 0.478 173 N N -1.260 117.392 118.700 -0.080 0.000 2.859 173 N HA 0.319 5.060 4.740 0.002 0.000 0.250 173 N C -0.980 174.580 175.510 0.083 0.000 1.341 173 N CA -0.600 52.466 53.050 0.027 0.000 0.881 173 N CB 1.029 39.518 38.487 0.004 0.000 1.516 173 N HN 0.621 nan 8.380 nan 0.000 0.503 174 G N -0.276 108.609 108.800 0.142 0.000 2.532 174 G HA2 0.262 4.223 3.960 0.002 0.000 0.291 174 G HA3 0.262 4.223 3.960 0.002 0.000 0.291 174 G C -0.536 174.425 174.900 0.100 0.000 1.349 174 G CA -0.351 44.808 45.100 0.098 0.000 1.038 174 G HN 0.607 nan 8.290 nan 0.000 0.518 175 D N -0.235 120.217 120.400 0.087 0.000 2.488 175 D HA 0.421 5.062 4.640 0.002 0.000 0.238 175 D C 0.594 176.963 176.300 0.115 0.000 1.138 175 D CA 0.924 54.986 54.000 0.104 0.000 0.873 175 D CB 1.195 42.053 40.800 0.097 0.000 1.183 175 D HN 0.546 nan 8.370 nan 0.000 0.458 176 G N -0.227 108.661 108.800 0.147 0.000 2.660 176 G HA2 0.616 4.577 3.960 0.002 0.000 0.294 176 G HA3 0.616 4.577 3.960 0.002 0.000 0.294 176 G C -1.309 173.677 174.900 0.143 0.000 1.369 176 G CA -0.541 44.637 45.100 0.131 0.000 0.912 176 G HN 0.332 nan 8.290 nan 0.000 0.479 177 V N -0.568 119.382 119.914 0.061 0.000 2.888 177 V HA 0.973 5.094 4.120 0.002 0.000 0.309 177 V C 0.377 176.428 176.094 -0.071 0.000 1.114 177 V CA -0.095 62.178 62.300 -0.045 0.000 0.940 177 V CB 1.762 33.558 31.823 -0.045 0.000 1.021 177 V HN 1.425 nan 8.190 nan 0.000 0.426 178 G N 0.747 109.472 108.800 -0.125 0.000 2.677 178 G HA2 0.813 4.774 3.960 0.002 0.000 0.291 178 G HA3 0.813 4.774 3.960 0.002 0.000 0.291 178 G C -0.834 174.015 174.900 -0.085 0.000 1.435 178 G CA -0.088 44.957 45.100 -0.091 0.000 0.826 178 G HN 1.186 nan 8.290 nan 0.000 0.491 179 G N -1.014 107.759 108.800 -0.046 0.000 2.690 179 G HA2 0.838 4.799 3.960 0.002 0.000 0.291 179 G HA3 0.838 4.799 3.960 0.002 0.000 0.291 179 G C -0.720 174.189 174.900 0.016 0.000 1.403 179 G CA 0.235 45.342 45.100 0.012 0.000 0.864 179 G HN 1.724 nan 8.290 nan 0.000 0.480 180 S N -0.624 115.117 115.700 0.068 0.000 2.541 180 S HA 0.801 5.272 4.470 0.002 0.000 0.271 180 S C -1.066 173.617 174.600 0.139 0.000 1.133 180 S CA -0.805 57.423 58.200 0.048 0.000 0.876 180 S CB 1.705 64.894 63.200 -0.019 0.000 1.105 180 S HN 0.783 nan 8.310 nan 0.000 0.470 181 I N 1.981 122.619 120.570 0.113 0.000 2.619 181 I HA 0.634 4.805 4.170 0.002 0.000 0.292 181 I C -0.750 175.465 176.117 0.163 0.000 1.100 181 I CA -0.701 60.706 61.300 0.180 0.000 1.043 181 I CB 2.485 40.569 38.000 0.139 0.000 1.239 181 I HN 0.954 nan 8.210 nan 0.000 0.420 182 T N 1.386 116.081 114.554 0.234 0.000 2.952 182 T HA 0.550 4.901 4.350 0.002 0.000 0.305 182 T C -1.489 173.422 174.700 0.351 0.000 1.064 182 T CA -0.768 61.512 62.100 0.300 0.000 1.008 182 T CB 2.104 71.177 68.868 0.342 0.000 1.078 182 T HN 0.473 nan 8.240 nan 0.000 0.459 183 Y N 2.458 122.892 120.300 0.225 0.000 2.338 183 Y HA 0.591 5.142 4.550 0.002 0.000 0.333 183 Y C -1.043 174.960 175.900 0.172 0.000 0.968 183 Y CA -1.220 56.983 58.100 0.171 0.000 1.123 183 Y CB 1.661 40.197 38.460 0.126 0.000 1.165 183 Y HN 0.797 nan 8.280 nan 0.000 0.452 184 N N 5.501 123.910 118.700 -0.485 0.000 2.354 184 N HA 0.237 4.978 4.740 0.002 0.000 0.287 184 N C -2.209 173.004 175.510 -0.494 0.000 1.016 184 N CA -0.459 52.370 53.050 -0.368 0.000 0.871 184 N CB 2.196 40.553 38.487 -0.217 0.000 1.299 184 N HN 0.671 nan 8.380 nan 0.000 0.482 185 Y N 1.519 121.582 120.300 -0.394 0.000 2.361 185 Y HA 0.114 4.665 4.550 0.002 0.000 0.328 185 Y C -0.095 175.813 175.900 0.013 0.000 1.044 185 Y CA -0.508 57.468 58.100 -0.208 0.000 1.085 185 Y CB 0.822 39.214 38.460 -0.113 0.000 1.194 185 Y HN 0.510 nan 8.280 nan 0.000 0.438 186 E N 4.352 124.244 120.200 -0.515 0.000 2.328 186 E HA -0.277 4.075 4.350 0.002 0.000 0.233 186 E C 1.073 177.564 176.600 -0.182 0.000 1.219 186 E CA 1.608 57.786 56.400 -0.370 0.000 0.717 186 E CB -1.304 28.145 29.700 -0.417 0.000 1.210 186 E HN 1.319 nan 8.360 nan 0.000 0.381 187 G N -1.224 107.409 108.800 -0.278 0.000 2.241 187 G HA2 -0.344 3.618 3.960 0.002 0.000 0.244 187 G HA3 -0.344 3.618 3.960 0.002 0.000 0.244 187 G C 0.141 174.722 174.900 -0.532 0.000 0.998 187 G CA 0.201 44.998 45.100 -0.505 0.000 0.621 187 G HN 0.230 nan 8.290 nan 0.000 0.519 188 F N 1.478 121.360 119.950 -0.114 0.000 2.384 188 F HA 0.591 5.119 4.527 0.002 0.000 0.338 188 F C 1.035 176.764 175.800 -0.117 0.000 1.103 188 F CA 0.403 58.395 58.000 -0.014 0.000 1.157 188 F CB 1.870 40.940 39.000 0.116 0.000 1.167 188 F HN 0.283 nan 8.300 nan 0.000 0.529 189 G N 3.623 112.442 108.800 0.032 0.000 2.687 189 G HA2 0.702 4.663 3.960 0.002 0.000 0.301 189 G HA3 0.702 4.663 3.960 0.002 0.000 0.301 189 G C -1.444 173.556 174.900 0.168 0.000 1.416 189 G CA -0.574 44.469 45.100 -0.095 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 1.005 121.788 120.570 0.354 0.000 2.646 190 I HA 0.871 5.042 4.170 0.002 0.000 0.299 190 I C 0.435 176.853 176.117 0.502 0.000 1.036 190 I CA -0.943 60.614 61.300 0.428 0.000 1.074 190 I CB 2.711 40.890 38.000 0.299 0.000 1.258 190 I HN 0.702 nan 8.210 nan 0.000 0.430 191 G N 2.829 111.828 108.800 0.332 0.000 2.673 191 G HA2 0.786 4.747 3.960 0.002 0.000 0.292 191 G HA3 0.786 4.747 3.960 0.002 0.000 0.292 191 G C -2.165 172.727 174.900 -0.014 0.000 1.450 191 G CA -0.526 44.638 45.100 0.106 0.000 0.837 191 G HN 0.877 nan 8.290 nan 0.000 0.505 192 A N -0.741 122.064 122.820 -0.026 0.000 2.549 192 A HA 1.071 5.392 4.320 0.002 0.000 0.297 192 A C -0.475 177.088 177.584 -0.036 0.000 1.061 192 A CA 0.016 52.045 52.037 -0.012 0.000 0.690 192 A CB 1.726 20.753 19.000 0.045 0.000 1.287 192 A HN 2.498 nan 8.150 nan 0.000 0.402 193 A N 0.663 123.460 122.820 -0.038 0.000 2.520 193 A HA 0.763 5.084 4.320 0.002 0.000 0.298 193 A C -1.364 176.194 177.584 -0.043 0.000 1.051 193 A CA -0.461 51.543 52.037 -0.055 0.000 0.690 193 A CB 1.476 20.407 19.000 -0.117 0.000 1.281 193 A HN 1.632 nan 8.150 nan 0.000 0.402 194 V N 1.401 121.277 119.914 -0.064 0.000 2.789 194 V HA 0.855 4.976 4.120 0.002 0.000 0.311 194 V C 0.002 175.996 176.094 -0.166 0.000 1.073 194 V CA -0.132 62.081 62.300 -0.145 0.000 0.921 194 V CB 2.056 33.836 31.823 -0.071 0.000 1.009 194 V HN 1.435 nan 8.190 nan 0.000 0.426 195 S N 1.643 117.194 115.700 -0.248 0.000 2.588 195 S HA 0.855 5.326 4.470 0.002 0.000 0.275 195 S C -0.834 173.638 174.600 -0.213 0.000 1.130 195 S CA -0.711 57.388 58.200 -0.168 0.000 0.855 195 S CB 2.103 65.245 63.200 -0.097 0.000 1.116 195 S HN 0.950 nan 8.310 nan 0.000 0.472 196 S N 0.965 116.587 115.700 -0.130 0.000 2.706 196 S HA 0.660 5.132 4.470 0.002 0.000 0.270 196 S C -1.405 173.151 174.600 -0.074 0.000 1.163 196 S CA -0.421 57.702 58.200 -0.129 0.000 1.042 196 S CB 0.803 63.944 63.200 -0.098 0.000 1.079 196 S HN 0.786 nan 8.310 nan 0.000 0.474 197 S N 3.742 119.368 115.700 -0.123 0.000 2.500 197 S HA 0.471 4.942 4.470 0.002 0.000 0.301 197 S C -0.537 173.999 174.600 -0.107 0.000 1.092 197 S CA -0.832 57.337 58.200 -0.052 0.000 1.030 197 S CB 1.584 64.820 63.200 0.059 0.000 1.031 197 S HN 0.741 nan 8.310 nan 0.000 0.483 198 K N 1.762 122.153 120.400 -0.015 0.000 2.382 198 K HA 0.208 4.529 4.320 0.002 0.000 0.275 198 K C -0.136 176.470 176.600 0.009 0.000 1.009 198 K CA -0.058 56.219 56.287 -0.016 0.000 0.970 198 K CB 0.496 33.010 32.500 0.025 0.000 0.934 198 K HN 0.500 nan 8.250 nan 0.000 0.479 199 R N 1.038 121.516 120.500 -0.038 0.000 2.457 199 R HA 0.143 4.484 4.340 0.002 0.000 0.284 199 R C 0.069 176.386 176.300 0.028 0.000 1.024 199 R CA -0.467 55.625 56.100 -0.013 0.000 1.025 199 R CB 1.364 31.568 30.300 -0.160 0.000 1.063 199 R HN 0.726 nan 8.270 nan 0.000 0.493 200 T N -2.129 112.457 114.554 0.053 0.000 2.847 200 T HA 0.040 4.391 4.350 0.002 0.000 0.279 200 T C 0.870 175.638 174.700 0.112 0.000 0.984 200 T CA -0.696 61.462 62.100 0.096 0.000 0.988 200 T CB 0.818 69.747 68.868 0.101 0.000 1.040 200 T HN 0.765 nan 8.240 nan 0.000 0.528 201 W N 0.912 122.216 121.300 0.006 0.000 2.355 201 W HA -0.049 4.612 4.660 0.002 0.000 0.309 201 W C 1.678 178.207 176.519 0.016 0.000 1.206 201 W CA 1.709 59.059 57.345 0.009 0.000 1.284 201 W CB -0.431 29.036 29.460 0.012 0.000 1.145 201 W HN 0.833 nan 8.180 nan 0.000 0.502 202 D N -0.375 120.181 120.400 0.259 0.000 2.123 202 D HA -0.249 4.392 4.640 0.002 0.000 0.196 202 D C 2.079 178.368 176.300 -0.019 0.000 0.992 202 D CA 1.773 55.850 54.000 0.128 0.000 0.833 202 D CB -0.568 40.327 40.800 0.157 0.000 0.954 202 D HN 0.345 nan 8.370 nan 0.000 0.455 203 Q N -0.410 119.392 119.800 0.003 0.000 2.167 203 Q HA -0.047 4.294 4.340 0.002 0.000 0.202 203 Q C 1.128 177.099 176.000 -0.048 0.000 0.970 203 Q CA 0.769 56.586 55.803 0.023 0.000 0.855 203 Q CB 0.122 28.804 28.738 -0.094 0.000 0.911 203 Q HN 0.227 nan 8.270 nan 0.000 0.438 204 N N -0.145 118.450 118.700 -0.176 0.000 2.280 204 N HA 0.035 4.776 4.740 0.002 0.000 0.192 204 N C 0.057 175.367 175.510 -0.334 0.000 1.109 204 N CA 0.376 53.294 53.050 -0.221 0.000 0.855 204 N CB 0.537 38.885 38.487 -0.232 0.000 0.974 204 N HN 0.190 nan 8.380 nan 0.000 0.482 205 N N -0.322 118.102 118.700 -0.459 0.000 2.377 205 N HA 0.054 4.796 4.740 0.002 0.000 0.259 205 N C -0.056 175.255 175.510 -0.331 0.000 1.332 205 N CA 0.233 52.922 53.050 -0.603 0.000 0.877 205 N CB 1.044 38.616 38.487 -1.524 0.000 1.299 205 N HN 0.120 nan 8.380 nan 0.000 0.501 206 T N -3.255 111.201 114.554 -0.162 0.000 3.228 206 T HA 0.317 4.668 4.350 0.002 0.000 0.278 206 T C 1.136 175.815 174.700 -0.035 0.000 1.014 206 T CA 0.124 62.182 62.100 -0.069 0.000 0.904 206 T CB 0.378 69.222 68.868 -0.039 0.000 1.110 206 T HN 0.177 nan 8.240 nan 0.000 0.541 207 G N 1.567 110.344 108.800 -0.037 0.000 2.160 207 G HA2 -0.227 3.734 3.960 0.002 0.000 0.251 207 G HA3 -0.227 3.734 3.960 0.002 0.000 0.251 207 G C -0.065 174.854 174.900 0.030 0.000 1.008 207 G CA 0.312 45.410 45.100 -0.003 0.000 0.724 207 G HN 0.671 nan 8.290 nan 0.000 0.514 208 L N 0.364 121.617 121.223 0.050 0.000 2.439 208 L HA 0.666 5.007 4.340 0.002 0.000 0.259 208 L C 1.624 178.587 176.870 0.156 0.000 1.129 208 L CA -1.253 53.641 54.840 0.091 0.000 0.803 208 L CB 0.787 42.877 42.059 0.051 0.000 1.161 208 L HN 0.343 nan 8.230 nan 0.000 0.462 209 I N -1.331 119.348 120.570 0.182 0.000 2.823 209 I HA 0.535 4.706 4.170 0.002 0.000 0.290 209 I C 0.906 177.216 176.117 0.322 0.000 1.091 209 I CA -0.229 61.201 61.300 0.217 0.000 1.365 209 I CB 0.737 38.869 38.000 0.221 0.000 1.427 209 I HN 0.764 nan 8.210 nan 0.000 0.583 210 G N 2.813 111.774 108.800 0.268 0.000 2.289 210 G HA2 -0.200 3.761 3.960 0.002 0.000 0.280 210 G HA3 -0.200 3.761 3.960 0.002 0.000 0.280 210 G C 0.045 175.075 174.900 0.217 0.000 1.089 210 G CA 0.212 45.483 45.100 0.286 0.000 0.939 210 G HN 1.269 nan 8.290 nan 0.000 0.499 211 T N -1.883 112.746 114.554 0.125 0.000 2.881 211 T HA 0.970 5.321 4.350 0.002 0.000 0.278 211 T C 0.713 175.397 174.700 -0.026 0.000 0.982 211 T CA 0.181 62.288 62.100 0.010 0.000 0.989 211 T CB 2.837 71.708 68.868 0.005 0.000 1.058 211 T HN 2.147 nan 8.240 nan 0.000 0.529 212 G N -0.241 108.511 108.800 -0.079 0.000 2.337 212 G HA2 0.174 4.135 3.960 0.002 0.000 0.298 212 G HA3 0.174 4.135 3.960 0.002 0.000 0.298 212 G C -0.089 174.752 174.900 -0.099 0.000 1.335 212 G CA -0.110 44.949 45.100 -0.068 0.000 0.875 212 G HN 0.627 nan 8.290 nan 0.000 0.579 213 D N -0.410 119.945 120.400 -0.074 0.000 2.178 213 D HA -0.020 4.621 4.640 0.002 0.000 0.201 213 D C 0.699 176.939 176.300 -0.101 0.000 0.980 213 D CA 1.019 54.979 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 0.365 nan 8.370 nan 0.000 0.472 214 R N -0.957 119.460 120.500 -0.138 0.000 2.698 214 R HA 0.611 4.952 4.340 0.002 0.000 0.275 214 R C -1.083 175.047 176.300 -0.283 0.000 1.001 214 R CA -0.724 55.263 56.100 -0.187 0.000 0.896 214 R CB 2.364 32.586 30.300 -0.130 0.000 1.218 214 R HN -0.137 nan 8.270 nan 0.000 0.462 215 A N 2.241 124.775 122.820 -0.475 0.000 2.276 215 A HA 0.496 4.817 4.320 0.002 0.000 0.316 215 A C -0.667 176.680 177.584 -0.395 0.000 1.229 215 A CA -0.430 51.227 52.037 -0.633 0.000 0.851 215 A CB 0.729 18.758 19.000 -1.619 0.000 1.165 215 A HN 0.723 nan 8.150 nan 0.000 0.513 216 E N 0.684 120.764 120.200 -0.198 0.000 2.293 216 E HA 0.617 4.968 4.350 0.002 0.000 0.270 216 E C -0.916 175.609 176.600 -0.126 0.000 0.879 216 E CA -0.728 55.572 56.400 -0.167 0.000 0.756 216 E CB 2.480 32.133 29.700 -0.077 0.000 1.208 216 E HN 0.734 nan 8.360 nan 0.000 0.428 217 T N -0.648 113.689 114.554 -0.362 0.000 2.912 217 T HA 0.611 4.962 4.350 0.002 0.000 0.299 217 T C -1.400 172.947 174.700 -0.588 0.000 1.052 217 T CA -0.686 61.243 62.100 -0.284 0.000 0.996 217 T CB 0.623 69.409 68.868 -0.137 0.000 1.070 217 T HN 0.371 nan 8.240 nan 0.000 0.465 218 Y N 0.513 120.834 120.300 0.035 0.000 2.373 218 Y HA 0.629 5.180 4.550 0.002 0.000 0.336 218 Y C 0.219 176.118 175.900 -0.002 0.000 0.979 218 Y CA -0.862 57.258 58.100 0.032 0.000 1.080 218 Y CB 2.782 41.292 38.460 0.084 0.000 1.190 218 Y HN 0.780 nan 8.280 nan 0.000 0.446 219 T N 2.247 116.865 114.554 0.106 0.000 2.881 219 T HA 0.691 5.042 4.350 0.002 0.000 0.290 219 T C -0.115 174.621 174.700 0.060 0.000 1.000 219 T CA -0.901 61.218 62.100 0.032 0.000 0.978 219 T CB 1.637 70.461 68.868 -0.074 0.000 0.997 219 T HN 0.883 nan 8.240 nan 0.000 0.443 220 G N 0.557 109.425 108.800 0.115 0.000 2.482 220 G HA2 0.774 4.735 3.960 0.002 0.000 0.317 220 G HA3 0.774 4.735 3.960 0.002 0.000 0.317 220 G C -0.655 174.305 174.900 0.100 0.000 1.241 220 G CA -0.872 44.297 45.100 0.115 0.000 0.967 220 G HN 0.950 nan 8.290 nan 0.000 0.482 221 G N -0.623 108.225 108.800 0.081 0.000 2.718 221 G HA2 0.634 4.595 3.960 0.002 0.000 0.295 221 G HA3 0.634 4.595 3.960 0.002 0.000 0.295 221 G C -1.560 173.560 174.900 0.367 0.000 1.421 221 G CA -0.644 44.536 45.100 0.134 0.000 0.902 221 G HN 0.694 nan 8.290 nan 0.000 0.501 222 L N 0.387 121.879 121.223 0.449 0.000 2.434 222 L HA 0.762 5.103 4.340 0.002 0.000 0.260 222 L C -0.535 176.484 176.870 0.248 0.000 0.983 222 L CA -0.987 54.083 54.840 0.383 0.000 0.820 222 L CB 3.013 45.218 42.059 0.244 0.000 1.361 222 L HN 0.844 nan 8.230 nan 0.000 0.410 223 K N 1.181 121.581 120.400 -0.000 0.000 2.562 223 K HA 0.516 4.837 4.320 0.002 0.000 0.267 223 K C -2.126 174.318 176.600 -0.262 0.000 0.938 223 K CA -0.927 55.191 56.287 -0.282 0.000 0.840 223 K CB 2.403 34.503 32.500 -0.668 0.000 1.390 223 K HN 0.398 nan 8.250 nan 0.000 0.428 224 Y N 1.650 121.655 120.300 -0.491 0.000 2.350 224 Y HA 0.423 4.974 4.550 0.002 0.000 0.338 224 Y C -1.594 173.969 175.900 -0.562 0.000 0.961 224 Y CA -0.634 57.139 58.100 -0.545 0.000 1.100 224 Y CB 2.039 40.202 38.460 -0.496 0.000 1.179 224 Y HN 0.867 nan 8.280 nan 0.000 0.454 225 D N 5.093 124.861 120.400 -1.054 0.000 2.429 225 D HA 0.634 5.275 4.640 0.002 0.000 0.255 225 D C -1.499 174.354 176.300 -0.743 0.000 1.257 225 D CA 0.150 53.757 54.000 -0.656 0.000 0.890 225 D CB 0.360 40.956 40.800 -0.341 0.000 1.267 225 D HN 0.818 nan 8.370 nan 0.000 0.521 226 A N 2.087 124.405 122.820 -0.838 0.000 2.540 226 A HA 0.552 4.873 4.320 0.002 0.000 0.291 226 A C -0.312 177.092 177.584 -0.301 0.000 1.083 226 A CA -0.731 50.974 52.037 -0.553 0.000 0.650 226 A CB 0.652 19.288 19.000 -0.607 0.000 1.292 226 A HN 0.215 nan 8.150 nan 0.000 0.435 227 N N 1.442 120.038 118.700 -0.173 0.000 2.708 227 N HA -0.227 4.514 4.740 0.002 0.000 0.251 227 N C 0.172 175.625 175.510 -0.095 0.000 1.017 227 N CA 1.356 54.362 53.050 -0.073 0.000 0.742 227 N CB -0.951 37.556 38.487 0.034 0.000 0.943 227 N HN 0.824 nan 8.380 nan 0.000 0.539 228 N N -2.319 116.251 118.700 -0.217 0.000 2.900 228 N HA -0.229 4.512 4.740 0.002 0.000 0.240 228 N C -0.108 175.171 175.510 -0.385 0.000 0.953 228 N CA 1.381 54.187 53.050 -0.406 0.000 0.950 228 N CB -1.112 36.978 38.487 -0.662 0.000 1.102 228 N HN 0.603 nan 8.380 nan 0.000 0.593 229 I N 0.523 121.033 120.570 -0.101 0.000 2.359 229 I HA 0.253 4.424 4.170 0.002 0.000 0.294 229 I C -0.220 175.922 176.117 0.041 0.000 0.987 229 I CA -0.755 60.593 61.300 0.080 0.000 1.225 229 I CB 1.135 39.277 38.000 0.237 0.000 1.366 229 I HN -0.035 nan 8.210 nan 0.000 0.466 230 Y N 7.244 127.513 120.300 -0.052 0.000 2.338 230 Y HA 0.643 5.194 4.550 0.002 0.000 0.328 230 Y C -1.372 174.527 175.900 -0.002 0.000 0.965 230 Y CA -0.619 57.431 58.100 -0.083 0.000 1.208 230 Y CB 1.047 39.436 38.460 -0.118 0.000 1.132 230 Y HN 0.369 nan 8.280 nan 0.000 0.469 231 L N 5.798 126.794 121.223 -0.378 0.000 2.365 231 L HA 0.983 5.324 4.340 0.002 0.000 0.273 231 L C -0.741 175.869 176.870 -0.434 0.000 1.000 231 L CA -0.969 53.735 54.840 -0.227 0.000 0.819 231 L CB 1.915 43.942 42.059 -0.055 0.000 1.284 231 L HN 0.736 nan 8.230 nan 0.000 0.418 232 A N 2.526 125.227 122.820 -0.199 0.000 2.589 232 A HA 0.948 5.269 4.320 0.002 0.000 0.296 232 A C -1.569 176.037 177.584 0.038 0.000 1.062 232 A CA -0.308 51.672 52.037 -0.094 0.000 0.686 232 A CB 1.970 20.932 19.000 -0.063 0.000 1.282 232 A HN 0.800 nan 8.150 nan 0.000 0.404 233 A N 1.093 123.972 122.820 0.098 0.000 2.488 233 A HA 0.799 5.120 4.320 0.002 0.000 0.298 233 A C -1.004 176.643 177.584 0.105 0.000 1.044 233 A CA -0.368 51.699 52.037 0.050 0.000 0.693 233 A CB 1.607 20.705 19.000 0.164 0.000 1.272 233 A HN 1.874 nan 8.150 nan 0.000 0.402 234 Q N 0.523 120.318 119.800 -0.010 0.000 2.347 234 Q HA 0.687 5.028 4.340 0.002 0.000 0.271 234 Q C -1.685 174.423 176.000 0.181 0.000 1.064 234 Q CA -0.617 55.230 55.803 0.074 0.000 0.800 234 Q CB 1.747 30.480 28.738 -0.007 0.000 1.304 234 Q HN 0.821 nan 8.270 nan 0.000 0.438 235 Y N 1.310 121.714 120.300 0.174 0.000 2.341 235 Y HA 0.720 5.271 4.550 0.002 0.000 0.338 235 Y C -1.294 174.691 175.900 0.140 0.000 0.965 235 Y CA -0.378 57.868 58.100 0.244 0.000 1.108 235 Y CB 2.329 40.953 38.460 0.274 0.000 1.180 235 Y HN 0.829 nan 8.280 nan 0.000 0.458 236 T N 6.343 120.549 114.554 -0.580 0.000 2.881 236 T HA 0.290 4.641 4.350 0.002 0.000 0.290 236 T C -1.356 172.998 174.700 -0.577 0.000 1.000 236 T CA -0.702 61.158 62.100 -0.400 0.000 0.978 236 T CB 1.498 70.270 68.868 -0.159 0.000 0.997 236 T HN 0.645 nan 8.240 nan 0.000 0.443 237 Q N 2.155 121.797 119.800 -0.263 0.000 2.322 237 Q HA 0.620 4.961 4.340 0.002 0.000 0.265 237 Q C -0.553 175.448 176.000 0.002 0.000 0.985 237 Q CA -0.637 55.086 55.803 -0.134 0.000 0.849 237 Q CB 1.060 29.848 28.738 0.083 0.000 1.274 237 Q HN 0.815 nan 8.270 nan 0.000 0.449 238 T N 0.372 114.826 114.554 -0.166 0.000 2.908 238 T HA 0.622 4.973 4.350 0.002 0.000 0.290 238 T C -1.171 173.329 174.700 -0.333 0.000 1.034 238 T CA -0.507 61.540 62.100 -0.089 0.000 1.010 238 T CB 0.878 69.733 68.868 -0.022 0.000 1.068 238 T HN 0.409 nan 8.240 nan 0.000 0.481 239 Y N 1.100 121.420 120.300 0.032 0.000 2.346 239 Y HA 0.444 4.995 4.550 0.002 0.000 0.332 239 Y C 0.575 176.438 175.900 -0.062 0.000 0.985 239 Y CA -1.189 56.921 58.100 0.016 0.000 1.112 239 Y CB 1.479 39.957 38.460 0.030 0.000 1.170 239 Y HN 0.796 nan 8.280 nan 0.000 0.447 240 N N 0.938 119.690 118.700 0.087 0.000 2.708 240 N HA -0.240 4.501 4.740 0.002 0.000 0.249 240 N C 0.343 175.751 175.510 -0.171 0.000 1.097 240 N CA 1.145 54.176 53.050 -0.033 0.000 0.710 240 N CB -0.933 37.461 38.487 -0.155 0.000 1.032 240 N HN 0.824 nan 8.380 nan 0.000 0.551 241 A N -1.792 121.060 122.820 0.053 0.000 2.048 241 A HA 0.209 4.530 4.320 0.002 0.000 0.197 241 A C 0.726 178.583 177.584 0.455 0.000 1.486 241 A CA 0.588 52.699 52.037 0.124 0.000 1.029 241 A CB 0.497 19.501 19.000 0.007 0.000 1.101 241 A HN 0.154 nan 8.150 nan 0.000 0.470 242 T N 1.543 116.325 114.554 0.381 0.000 2.744 242 T HA 0.389 4.740 4.350 0.002 0.000 0.291 242 T C 0.028 174.952 174.700 0.372 0.000 0.957 242 T CA -0.353 61.945 62.100 0.329 0.000 1.002 242 T CB 0.964 69.941 68.868 0.181 0.000 0.919 242 T HN 0.418 nan 8.240 nan 0.000 0.468 243 R N 2.650 123.312 120.500 0.269 0.000 2.491 243 R HA 0.333 4.674 4.340 0.002 0.000 0.283 243 R C -0.894 175.386 176.300 -0.032 0.000 1.072 243 R CA -0.207 55.910 56.100 0.028 0.000 1.048 243 R CB 0.351 30.562 30.300 -0.150 0.000 0.983 243 R HN 0.407 nan 8.270 nan 0.000 0.450 244 V N 6.088 125.952 119.914 -0.084 0.000 2.225 244 V HA 0.275 4.396 4.120 0.002 0.000 0.264 244 V C 1.077 177.038 176.094 -0.221 0.000 1.067 244 V CA 0.265 62.530 62.300 -0.058 0.000 0.903 244 V CB -0.022 31.849 31.823 0.081 0.000 1.136 244 V HN 1.206 nan 8.190 nan 0.000 0.456 245 G N 4.060 112.688 108.800 -0.286 0.000 2.634 245 G HA2 -0.355 3.606 3.960 0.002 0.000 0.309 245 G HA3 -0.355 3.606 3.960 0.002 0.000 0.309 245 G C 1.157 175.791 174.900 -0.445 0.000 1.265 245 G CA 0.792 45.683 45.100 -0.347 0.000 0.998 245 G HN 1.221 nan 8.290 nan 0.000 0.551 246 S N 0.026 115.530 115.700 -0.326 0.000 2.593 246 S HA 0.356 4.827 4.470 0.002 0.000 0.217 246 S C 2.266 176.820 174.600 -0.078 0.000 0.966 246 S CA 1.079 59.137 58.200 -0.237 0.000 0.914 246 S CB 0.197 63.307 63.200 -0.150 0.000 0.776 246 S HN 0.576 nan 8.310 nan 0.000 0.523 247 L N 0.839 122.002 121.223 -0.101 0.000 2.240 247 L HA 0.311 4.652 4.340 0.002 0.000 0.211 247 L C 1.681 178.586 176.870 0.058 0.000 1.106 247 L CA 0.796 55.633 54.840 -0.005 0.000 0.793 247 L CB -0.632 41.415 42.059 -0.020 0.000 0.927 247 L HN 0.676 nan 8.230 nan 0.000 0.446 248 G N -1.983 106.844 108.800 0.044 0.000 2.295 248 G HA2 -0.082 3.879 3.960 0.002 0.000 0.155 248 G HA3 -0.082 3.879 3.960 0.002 0.000 0.155 248 G C -1.722 173.114 174.900 -0.107 0.000 1.307 248 G CA -0.693 44.359 45.100 -0.080 0.000 1.140 248 G HN -0.030 nan 8.290 nan 0.000 0.470 249 W N 0.342 121.792 121.300 0.250 0.000 2.894 249 W HA 0.722 5.383 4.660 0.002 0.000 0.345 249 W C 0.235 176.845 176.519 0.151 0.000 1.152 249 W CA -0.343 57.131 57.345 0.216 0.000 1.089 249 W CB 1.973 31.564 29.460 0.219 0.000 1.454 249 W HN 0.965 nan 8.180 nan 0.000 0.589 250 A N 1.735 124.773 122.820 0.364 0.000 2.289 250 A HA 0.199 4.520 4.320 0.002 0.000 0.298 250 A C 0.936 178.621 177.584 0.168 0.000 1.208 250 A CA -0.376 51.788 52.037 0.212 0.000 0.845 250 A CB 0.252 19.332 19.000 0.134 0.000 1.125 250 A HN 0.654 nan 8.150 nan 0.000 0.517 251 N N 1.030 119.818 118.700 0.146 0.000 2.091 251 N HA -0.135 4.606 4.740 0.002 0.000 0.193 251 N C 0.474 176.033 175.510 0.081 0.000 1.021 251 N CA 1.562 54.689 53.050 0.128 0.000 0.862 251 N CB -0.022 38.536 38.487 0.119 0.000 1.018 251 N HN 0.770 nan 8.380 nan 0.000 0.429 252 K N -0.416 119.978 120.400 -0.010 0.000 2.501 252 K HA 0.580 4.901 4.320 0.002 0.000 0.252 252 K C -1.951 174.567 176.600 -0.136 0.000 0.934 252 K CA -0.555 55.602 56.287 -0.217 0.000 0.797 252 K CB 2.202 34.575 32.500 -0.213 0.000 1.270 252 K HN -0.026 nan 8.250 nan 0.000 0.431 253 A N 3.397 126.105 122.820 -0.187 0.000 2.414 253 A HA 0.468 4.789 4.320 0.002 0.000 0.306 253 A C -1.519 175.996 177.584 -0.115 0.000 1.054 253 A CA -0.722 51.262 52.037 -0.088 0.000 0.724 253 A CB 1.676 20.663 19.000 -0.020 0.000 1.267 253 A HN 0.707 nan 8.150 nan 0.000 0.418 254 Q N 1.807 121.580 119.800 -0.046 0.000 2.368 254 Q HA 0.373 4.714 4.340 0.002 0.000 0.263 254 Q C -1.166 174.830 176.000 -0.006 0.000 1.009 254 Q CA -0.713 55.074 55.803 -0.026 0.000 0.818 254 Q CB 1.592 30.420 28.738 0.151 0.000 1.239 254 Q HN 0.681 nan 8.270 nan 0.000 0.464 255 N N 2.444 121.060 118.700 -0.140 0.000 2.372 255 N HA 0.514 5.255 4.740 0.002 0.000 0.291 255 N C -1.524 174.040 175.510 0.090 0.000 1.024 255 N CA -0.299 52.736 53.050 -0.024 0.000 0.873 255 N CB 1.529 39.994 38.487 -0.037 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.727 120.697 119.950 0.033 0.000 2.581 256 F HA 0.413 4.941 4.527 0.002 0.000 0.311 256 F C -1.048 174.780 175.800 0.047 0.000 1.113 256 F CA -0.611 57.468 58.000 0.132 0.000 0.935 256 F CB 1.624 40.782 39.000 0.264 0.000 1.232 256 F HN 0.345 nan 8.300 nan 0.000 0.445 257 E N 4.393 124.125 120.200 -0.780 0.000 2.275 257 E HA 0.750 5.101 4.350 0.002 0.000 0.270 257 E C -1.566 174.577 176.600 -0.762 0.000 0.882 257 E CA -1.226 54.817 56.400 -0.595 0.000 0.758 257 E CB 2.180 31.732 29.700 -0.246 0.000 1.195 257 E HN 0.727 nan 8.360 nan 0.000 0.419 258 A N 1.938 124.492 122.820 -0.443 0.000 2.475 258 A HA 0.788 5.109 4.320 0.002 0.000 0.301 258 A C -1.186 176.397 177.584 -0.003 0.000 1.059 258 A CA -0.648 51.277 52.037 -0.186 0.000 0.710 258 A CB 1.552 20.545 19.000 -0.012 0.000 1.288 258 A HN 0.293 nan 8.150 nan 0.000 0.408 259 V N 0.162 120.107 119.914 0.053 0.000 2.733 259 V HA 0.804 4.925 4.120 0.002 0.000 0.306 259 V C -0.055 176.114 176.094 0.125 0.000 1.084 259 V CA -0.266 62.100 62.300 0.111 0.000 0.905 259 V CB 1.595 33.519 31.823 0.169 0.000 1.010 259 V HN 1.631 nan 8.190 nan 0.000 0.424 260 A N 3.951 126.850 122.820 0.133 0.000 2.356 260 A HA 0.919 5.240 4.320 0.002 0.000 0.310 260 A C -0.836 176.841 177.584 0.155 0.000 1.075 260 A CA -0.552 51.564 52.037 0.132 0.000 0.746 260 A CB 1.753 20.813 19.000 0.099 0.000 1.221 260 A HN 0.810 nan 8.150 nan 0.000 0.443 261 Q N 0.213 120.120 119.800 0.179 0.000 2.416 261 Q HA 0.530 4.871 4.340 0.002 0.000 0.281 261 Q C -2.112 173.986 176.000 0.164 0.000 1.067 261 Q CA -0.616 55.282 55.803 0.159 0.000 0.809 261 Q CB 2.980 31.796 28.738 0.130 0.000 1.418 261 Q HN 0.743 nan 8.270 nan 0.000 0.411 262 Y N 0.852 121.128 120.300 -0.040 0.000 2.492 262 Y HA 0.352 4.903 4.550 0.002 0.000 0.346 262 Y C -1.379 174.391 175.900 -0.216 0.000 0.997 262 Y CA -0.632 57.366 58.100 -0.170 0.000 1.025 262 Y CB 2.237 40.523 38.460 -0.291 0.000 1.263 262 Y HN 0.550 nan 8.280 nan 0.000 0.454 263 Q N 5.054 124.277 119.800 -0.963 0.000 2.413 263 Q HA 0.413 4.754 4.340 0.002 0.000 0.258 263 Q C -1.951 173.570 176.000 -0.799 0.000 1.037 263 Q CA -0.347 55.078 55.803 -0.630 0.000 0.764 263 Q CB 0.202 28.659 28.738 -0.468 0.000 1.217 263 Q HN 0.536 nan 8.270 nan 0.000 0.490 264 F N 2.494 122.226 119.950 -0.364 0.000 2.529 264 F HA 0.056 4.584 4.527 0.002 0.000 0.365 264 F C 1.340 176.903 175.800 -0.395 0.000 1.102 264 F CA 0.080 57.885 58.000 -0.325 0.000 1.271 264 F CB 0.700 39.320 39.000 -0.633 0.000 1.120 264 F HN 0.622 nan 8.300 nan 0.000 0.579 265 D N 2.300 122.697 120.400 -0.005 0.000 2.170 265 D HA -0.291 4.350 4.640 0.002 0.000 0.193 265 D C 1.947 178.273 176.300 0.044 0.000 1.004 265 D CA 1.962 55.972 54.000 0.016 0.000 0.860 265 D CB -0.406 40.463 40.800 0.115 0.000 0.931 265 D HN 0.588 nan 8.370 nan 0.000 0.448 266 F N -2.106 117.937 119.950 0.156 0.000 2.699 266 F HA 0.274 4.802 4.527 0.002 0.000 0.298 266 F C 1.601 177.474 175.800 0.121 0.000 1.154 266 F CA 0.762 58.846 58.000 0.139 0.000 1.457 266 F CB 0.006 39.096 39.000 0.151 0.000 1.106 266 F HN 0.012 nan 8.300 nan 0.000 0.585 267 G N 0.474 109.123 108.800 -0.252 0.000 2.480 267 G HA2 -0.174 3.787 3.960 0.002 0.000 0.193 267 G HA3 -0.174 3.787 3.960 0.002 0.000 0.193 267 G C -0.362 174.404 174.900 -0.225 0.000 1.004 267 G CA -0.200 44.725 45.100 -0.291 0.000 0.696 267 G HN 0.382 nan 8.290 nan 0.000 0.478 268 L N 1.882 122.997 121.223 -0.179 0.000 2.367 268 L HA 0.765 5.106 4.340 0.002 0.000 0.275 268 L C 0.601 177.560 176.870 0.149 0.000 1.129 268 L CA -0.284 54.620 54.840 0.107 0.000 0.839 268 L CB 0.850 43.034 42.059 0.208 0.000 1.133 268 L HN 0.265 nan 8.230 nan 0.000 0.453 269 R N 6.127 126.730 120.500 0.171 0.000 2.487 269 R HA 0.480 4.821 4.340 0.002 0.000 0.288 269 R C -2.632 173.771 176.300 0.172 0.000 1.394 269 R CA -1.677 54.516 56.100 0.155 0.000 1.155 269 R CB 0.957 31.353 30.300 0.161 0.000 1.156 269 R HN 0.451 nan 8.270 nan 0.000 0.553 270 P HA 0.090 nan 4.420 nan 0.000 0.272 270 P C -1.063 176.335 177.300 0.163 0.000 1.223 270 P CA -0.228 63.000 63.100 0.214 0.000 0.784 270 P CB 1.422 33.290 31.700 0.279 0.000 0.923 271 S N 1.255 117.043 115.700 0.147 0.000 2.572 271 S HA 0.668 5.139 4.470 0.002 0.000 0.274 271 S C -1.805 172.876 174.600 0.136 0.000 1.150 271 S CA -0.517 57.760 58.200 0.129 0.000 0.944 271 S CB 0.222 63.484 63.200 0.103 0.000 1.071 271 S HN 0.298 nan 8.310 nan 0.000 0.479 272 L N 4.297 125.599 121.223 0.132 0.000 2.409 272 L HA 0.977 5.318 4.340 0.002 0.000 0.272 272 L C -0.712 176.237 176.870 0.130 0.000 0.980 272 L CA 0.044 54.962 54.840 0.129 0.000 0.826 272 L CB 1.491 43.620 42.059 0.115 0.000 1.268 272 L HN 0.847 nan 8.230 nan 0.000 0.407 273 A N 3.780 126.684 122.820 0.139 0.000 2.587 273 A HA 0.755 5.076 4.320 0.002 0.000 0.293 273 A C -2.299 175.373 177.584 0.147 0.000 1.087 273 A CA -0.471 51.642 52.037 0.126 0.000 0.692 273 A CB 1.378 20.441 19.000 0.106 0.000 1.291 273 A HN 0.721 nan 8.150 nan 0.000 0.407 274 Y N 0.721 120.995 120.300 -0.044 0.000 2.421 274 Y HA 0.707 5.258 4.550 0.002 0.000 0.339 274 Y C -1.914 173.867 175.900 -0.197 0.000 0.996 274 Y CA -0.966 57.084 58.100 -0.084 0.000 1.046 274 Y CB 1.556 40.033 38.460 0.029 0.000 1.226 274 Y HN 0.619 nan 8.280 nan 0.000 0.445 275 L N 5.381 125.983 121.223 -1.034 0.000 2.401 275 L HA 0.624 4.965 4.340 0.002 0.000 0.266 275 L C -1.032 175.292 176.870 -0.910 0.000 0.991 275 L CA -0.503 53.812 54.840 -0.875 0.000 0.818 275 L CB 2.438 43.953 42.059 -0.907 0.000 1.321 275 L HN 0.688 nan 8.230 nan 0.000 0.413 276 Q N 0.993 120.524 119.800 -0.448 0.000 2.295 276 Q HA 0.590 4.931 4.340 0.002 0.000 0.268 276 Q C -1.719 174.254 176.000 -0.046 0.000 1.010 276 Q CA -0.339 55.334 55.803 -0.218 0.000 0.856 276 Q CB 2.435 31.154 28.738 -0.032 0.000 1.349 276 Q HN 0.563 nan 8.270 nan 0.000 0.412 277 S N 3.225 118.908 115.700 -0.027 0.000 2.707 277 S HA 0.463 4.934 4.470 0.002 0.000 0.312 277 S C -1.337 173.277 174.600 0.024 0.000 1.116 277 S CA -0.575 57.632 58.200 0.013 0.000 1.078 277 S CB 0.556 63.764 63.200 0.013 0.000 0.997 277 S HN 0.429 nan 8.310 nan 0.000 0.477 278 K N 3.372 123.791 120.400 0.031 0.000 2.316 278 K HA 0.372 4.693 4.320 0.002 0.000 0.267 278 K C 0.366 176.962 176.600 -0.006 0.000 1.025 278 K CA -0.553 55.743 56.287 0.015 0.000 0.896 278 K CB 1.449 33.972 32.500 0.038 0.000 1.124 278 K HN 0.678 nan 8.250 nan 0.000 0.451 279 G N 3.324 112.103 108.800 -0.034 0.000 2.370 279 G HA2 0.167 4.128 3.960 0.002 0.000 0.272 279 G HA3 0.167 4.128 3.960 0.002 0.000 0.272 279 G C -0.303 174.567 174.900 -0.049 0.000 1.208 279 G CA -0.446 44.632 45.100 -0.036 0.000 0.856 279 G HN 0.308 nan 8.290 nan 0.000 0.500 280 K N 1.695 122.083 120.400 -0.021 0.000 2.207 280 K HA 0.229 4.550 4.320 0.002 0.000 0.255 280 K C 0.289 176.900 176.600 0.017 0.000 0.941 280 K CA -1.145 55.136 56.287 -0.008 0.000 0.825 280 K CB 1.549 34.047 32.500 -0.004 0.000 1.119 280 K HN 0.622 nan 8.250 nan 0.000 0.430 281 N N 2.022 120.735 118.700 0.022 0.000 2.678 281 N HA -0.204 4.537 4.740 0.002 0.000 0.268 281 N C 0.102 175.656 175.510 0.072 0.000 1.010 281 N CA 0.201 53.278 53.050 0.045 0.000 0.784 281 N CB -0.922 37.594 38.487 0.048 0.000 0.905 281 N HN 0.638 nan 8.380 nan 0.000 0.552 282 L N -0.227 121.048 121.223 0.087 0.000 2.217 282 L HA 0.148 4.489 4.340 0.002 0.000 0.211 282 L C 1.710 178.687 176.870 0.178 0.000 1.107 282 L CA 0.821 55.746 54.840 0.141 0.000 0.783 282 L CB -0.747 41.406 42.059 0.158 0.000 0.919 282 L HN 0.715 nan 8.230 nan 0.000 0.442 283 G N -0.566 108.328 108.800 0.156 0.000 2.661 283 G HA2 -0.214 3.747 3.960 0.002 0.000 0.685 283 G HA3 -0.214 3.747 3.960 0.002 0.000 0.685 283 G C 0.174 175.155 174.900 0.136 0.000 1.298 283 G CA -0.205 44.971 45.100 0.127 0.000 0.855 283 G HN 0.255 nan 8.290 nan 0.000 0.560 284 R N -0.968 119.561 120.500 0.049 0.000 3.651 284 R HA -0.098 4.243 4.340 0.002 0.000 0.292 284 R C 1.572 177.712 176.300 -0.268 0.000 1.161 284 R CA 2.337 58.411 56.100 -0.043 0.000 0.787 284 R CB -1.522 28.818 30.300 0.066 0.000 1.249 284 R HN 2.928 nan 8.270 nan 0.000 0.476 285 G N -1.908 106.790 108.800 -0.171 0.000 2.162 285 G HA2 -0.372 3.589 3.960 0.002 0.000 0.260 285 G HA3 -0.372 3.589 3.960 0.002 0.000 0.260 285 G C 0.157 174.931 174.900 -0.209 0.000 0.976 285 G CA 0.563 45.538 45.100 -0.209 0.000 0.655 285 G HN 0.432 nan 8.290 nan 0.000 0.533 286 Y N 0.192 120.520 120.300 0.047 0.000 2.476 286 Y HA 0.189 4.740 4.550 0.001 0.000 0.283 286 Y C 1.992 177.860 175.900 -0.053 0.000 1.109 286 Y CA 0.059 58.170 58.100 0.019 0.000 1.246 286 Y CB 0.134 38.636 38.460 0.071 0.000 1.068 286 Y HN 0.308 nan 8.280 nan 0.000 0.552 287 D N -0.303 120.164 120.400 0.110 0.000 3.996 287 D HA -0.253 4.388 4.640 0.002 0.000 0.140 287 D C -0.692 175.603 176.300 -0.008 0.000 0.829 287 D CA 1.757 55.781 54.000 0.040 0.000 1.111 287 D CB -1.088 39.725 40.800 0.021 0.000 0.516 287 D HN 0.162 nan 8.370 nan 0.000 0.517 288 D N 2.471 122.845 120.400 -0.043 0.000 2.233 288 D HA 0.523 5.164 4.640 0.002 0.000 0.240 288 D C -0.055 176.136 176.300 -0.182 0.000 1.074 288 D CA 0.176 54.122 54.000 -0.089 0.000 0.838 288 D CB 1.152 41.922 40.800 -0.050 0.000 1.124 288 D HN 0.113 nan 8.370 nan 0.000 0.475 289 E N 1.064 121.080 120.200 -0.307 0.000 2.356 289 E HA 0.214 4.565 4.350 0.002 0.000 0.275 289 E C -1.083 175.329 176.600 -0.313 0.000 0.904 289 E CA -0.763 55.351 56.400 -0.476 0.000 0.757 289 E CB 2.254 31.189 29.700 -1.275 0.000 1.232 289 E HN 0.253 nan 8.360 nan 0.000 0.442 290 D N 2.062 122.360 120.400 -0.171 0.000 2.383 290 D HA 0.142 4.783 4.640 0.002 0.000 0.252 290 D C 1.127 177.467 176.300 0.067 0.000 1.166 290 D CA 0.150 54.130 54.000 -0.033 0.000 0.879 290 D CB 1.111 41.921 40.800 0.016 0.000 1.164 290 D HN 0.381 nan 8.370 nan 0.000 0.462 291 I N 1.556 122.181 120.570 0.091 0.000 3.035 291 I HA 0.021 4.192 4.170 0.002 0.000 0.271 291 I C 0.554 176.728 176.117 0.095 0.000 1.190 291 I CA 0.406 61.809 61.300 0.172 0.000 1.472 291 I CB 0.260 38.334 38.000 0.122 0.000 1.116 291 I HN 0.164 nan 8.210 nan 0.000 0.443 292 L N 0.361 121.616 121.223 0.053 0.000 2.545 292 L HA 0.474 4.815 4.340 0.002 0.000 0.258 292 L C -1.220 175.639 176.870 -0.017 0.000 0.942 292 L CA -0.350 54.510 54.840 0.032 0.000 0.855 292 L CB 1.764 43.828 42.059 0.010 0.000 1.374 292 L HN -0.074 nan 8.230 nan 0.000 0.411 293 K N 3.954 124.352 120.400 -0.005 0.000 2.636 293 K HA 0.478 4.799 4.320 0.002 0.000 0.286 293 K C -2.267 174.337 176.600 0.007 0.000 1.100 293 K CA -0.546 55.692 56.287 -0.082 0.000 0.991 293 K CB 0.922 33.432 32.500 0.017 0.000 1.323 293 K HN 0.615 nan 8.250 nan 0.000 0.478 294 Y N -0.307 119.864 120.300 -0.214 0.000 2.581 294 Y HA 0.637 5.188 4.550 0.002 0.000 0.337 294 Y C -1.689 174.142 175.900 -0.115 0.000 1.108 294 Y CA -1.207 56.807 58.100 -0.142 0.000 1.033 294 Y CB 0.976 39.336 38.460 -0.167 0.000 1.318 294 Y HN -0.030 nan 8.280 nan 0.000 0.459 295 V N 2.607 122.651 119.914 0.216 0.000 2.532 295 V HA 0.376 4.497 4.120 0.002 0.000 0.295 295 V C -0.808 175.412 176.094 0.211 0.000 1.041 295 V CA -0.526 61.897 62.300 0.205 0.000 0.926 295 V CB 1.558 33.480 31.823 0.164 0.000 0.992 295 V HN 0.876 nan 8.190 nan 0.000 0.457 296 D N 2.768 123.292 120.400 0.206 0.000 2.629 296 D HA 0.525 5.166 4.640 0.002 0.000 0.250 296 D C -1.530 174.868 176.300 0.162 0.000 1.126 296 D CA -0.142 53.985 54.000 0.212 0.000 0.852 296 D CB 2.367 43.366 40.800 0.333 0.000 1.335 296 D HN 0.299 nan 8.370 nan 0.000 0.518 297 V N 2.513 122.519 119.914 0.153 0.000 2.540 297 V HA 0.875 4.996 4.120 0.002 0.000 0.302 297 V C 0.693 176.923 176.094 0.227 0.000 1.035 297 V CA -0.486 61.919 62.300 0.175 0.000 0.873 297 V CB 1.529 33.452 31.823 0.166 0.000 0.992 297 V HN 0.703 nan 8.190 nan 0.000 0.428 298 G N 2.471 111.385 108.800 0.190 0.000 2.608 298 G HA2 0.882 4.843 3.960 0.002 0.000 0.291 298 G HA3 0.882 4.843 3.960 0.002 0.000 0.291 298 G C -1.589 173.403 174.900 0.153 0.000 1.425 298 G CA -0.114 45.096 45.100 0.183 0.000 0.787 298 G HN 1.226 nan 8.290 nan 0.000 0.484 299 A N -0.417 122.491 122.820 0.147 0.000 2.517 299 A HA 0.835 5.156 4.320 0.002 0.000 0.297 299 A C -0.617 177.038 177.584 0.117 0.000 1.050 299 A CA -0.447 51.672 52.037 0.136 0.000 0.694 299 A CB 1.726 20.815 19.000 0.150 0.000 1.277 299 A HN 0.971 nan 8.150 nan 0.000 0.400 300 T N 1.686 116.268 114.554 0.047 0.000 2.807 300 T HA 0.524 4.875 4.350 0.002 0.000 0.279 300 T C -1.319 173.298 174.700 -0.139 0.000 0.993 300 T CA -0.044 62.002 62.100 -0.089 0.000 0.970 300 T CB 0.848 69.523 68.868 -0.323 0.000 0.950 300 T HN 0.526 nan 8.240 nan 0.000 0.441 301 Y N 2.951 123.072 120.300 -0.299 0.000 2.331 301 Y HA 0.489 5.040 4.550 0.002 0.000 0.338 301 Y C -1.409 174.189 175.900 -0.503 0.000 0.976 301 Y CA -1.406 56.495 58.100 -0.332 0.000 1.137 301 Y CB 0.603 38.871 38.460 -0.320 0.000 1.172 301 Y HN 0.607 nan 8.280 nan 0.000 0.478 302 Y N 7.491 127.329 120.300 -0.770 0.000 2.518 302 Y HA 0.198 4.749 4.550 0.002 0.000 0.344 302 Y C 0.324 175.814 175.900 -0.684 0.000 0.982 302 Y CA -0.466 57.323 58.100 -0.518 0.000 1.234 302 Y CB 0.134 38.406 38.460 -0.314 0.000 1.114 302 Y HN 0.694 nan 8.280 nan 0.000 0.515 303 F N 1.125 120.983 119.950 -0.153 0.000 2.134 303 F HA -0.193 4.335 4.527 0.002 0.000 0.299 303 F C 0.980 176.784 175.800 0.006 0.000 1.097 303 F CA 1.174 59.162 58.000 -0.020 0.000 1.264 303 F CB -0.124 38.954 39.000 0.129 0.000 1.001 303 F HN 0.568 nan 8.300 nan 0.000 0.479 304 N N -2.121 116.705 118.700 0.210 0.000 3.496 304 N HA 0.073 4.814 4.740 0.002 0.000 0.331 304 N C -0.155 175.410 175.510 0.090 0.000 1.532 304 N CA -0.733 52.385 53.050 0.113 0.000 0.863 304 N CB 0.252 38.808 38.487 0.116 0.000 1.927 304 N HN -0.228 nan 8.380 nan 0.000 0.529 305 K N -0.646 119.776 120.400 0.036 0.000 2.365 305 K HA 0.157 4.478 4.320 0.002 0.000 0.199 305 K C 0.265 176.871 176.600 0.010 0.000 1.045 305 K CA 1.243 57.528 56.287 -0.003 0.000 0.962 305 K CB -0.345 32.137 32.500 -0.031 0.000 0.759 305 K HN 0.446 nan 8.250 nan 0.000 0.469 306 N N -0.828 117.892 118.700 0.032 0.000 2.197 306 N HA 0.090 4.831 4.740 0.002 0.000 0.201 306 N C -0.651 174.855 175.510 -0.008 0.000 1.148 306 N CA -0.057 52.961 53.050 -0.053 0.000 0.883 306 N CB 0.630 39.097 38.487 -0.032 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.832 120.522 119.600 0.150 0.000 2.324 307 M HA 0.422 4.903 4.480 0.002 0.000 0.288 307 M C -1.700 174.836 176.300 0.394 0.000 1.097 307 M CA -0.641 54.814 55.300 0.257 0.000 0.928 307 M CB 1.803 34.544 32.600 0.235 0.000 1.648 307 M HN 0.048 nan 8.290 nan 0.000 0.460 308 S N 1.551 117.458 115.700 0.345 0.000 2.565 308 S HA 0.905 5.376 4.470 0.002 0.000 0.269 308 S C -1.004 173.721 174.600 0.207 0.000 1.153 308 S CA -0.779 57.542 58.200 0.202 0.000 0.835 308 S CB 2.028 65.181 63.200 -0.079 0.000 1.122 308 S HN 0.789 nan 8.310 nan 0.000 0.462 309 T N 1.101 115.714 114.554 0.097 0.000 2.909 309 T HA 0.773 5.124 4.350 0.002 0.000 0.299 309 T C -2.055 172.670 174.700 0.043 0.000 1.073 309 T CA -0.530 61.605 62.100 0.058 0.000 0.999 309 T CB 1.087 70.055 68.868 0.167 0.000 1.098 309 T HN 1.191 nan 8.240 nan 0.000 0.477 310 Y N 0.888 121.192 120.300 0.006 0.000 2.609 310 Y HA 0.810 5.361 4.550 0.002 0.000 0.336 310 Y C -1.785 174.138 175.900 0.038 0.000 1.129 310 Y CA -1.390 56.706 58.100 -0.006 0.000 1.040 310 Y CB 0.820 39.250 38.460 -0.050 0.000 1.310 310 Y HN 0.480 nan 8.280 nan 0.000 0.460 311 V N 2.357 122.463 119.914 0.320 0.000 2.604 311 V HA 0.624 4.745 4.120 0.002 0.000 0.305 311 V C -1.699 174.579 176.094 0.307 0.000 1.043 311 V CA -0.259 62.207 62.300 0.276 0.000 0.888 311 V CB 1.653 33.571 31.823 0.158 0.000 0.995 311 V HN 0.908 nan 8.190 nan 0.000 0.429 312 D N 4.514 125.099 120.400 0.308 0.000 2.629 312 D HA 0.319 4.960 4.640 0.002 0.000 0.250 312 D C -1.895 174.689 176.300 0.473 0.000 1.126 312 D CA -0.132 54.042 54.000 0.290 0.000 0.852 312 D CB 1.659 42.496 40.800 0.061 0.000 1.335 312 D HN 0.487 nan 8.370 nan 0.000 0.518 313 Y N 3.435 123.892 120.300 0.262 0.000 2.388 313 Y HA 0.305 4.856 4.550 0.002 0.000 0.328 313 Y C -0.630 175.324 175.900 0.090 0.000 0.963 313 Y CA -1.201 57.005 58.100 0.176 0.000 1.240 313 Y CB 0.834 39.364 38.460 0.117 0.000 1.118 313 Y HN 0.227 nan 8.280 nan 0.000 0.484 314 K N 8.006 128.405 120.400 -0.003 0.000 2.267 314 K HA 0.392 4.713 4.320 0.002 0.000 0.282 314 K C -0.968 175.378 176.600 -0.423 0.000 1.078 314 K CA -0.298 55.724 56.287 -0.442 0.000 0.903 314 K CB 0.144 31.941 32.500 -1.171 0.000 1.111 314 K HN 0.745 nan 8.250 nan 0.000 0.475 315 I N 4.453 124.783 120.570 -0.401 0.000 2.281 315 I HA 0.037 4.208 4.170 0.002 0.000 0.293 315 I C 0.220 176.264 176.117 -0.122 0.000 1.085 315 I CA -0.611 60.481 61.300 -0.348 0.000 1.257 315 I CB 0.387 38.172 38.000 -0.358 0.000 1.430 315 I HN 0.514 nan 8.210 nan 0.000 0.489 316 N N 6.933 125.561 118.700 -0.120 0.000 2.411 316 N HA 0.199 4.940 4.740 0.002 0.000 0.259 316 N C 0.380 175.894 175.510 0.007 0.000 1.103 316 N CA 0.006 53.024 53.050 -0.054 0.000 0.954 316 N CB 1.262 39.685 38.487 -0.107 0.000 1.085 316 N HN 0.571 nan 8.380 nan 0.000 0.485 317 L N 3.325 124.582 121.223 0.057 0.000 2.607 317 L HA 0.237 4.578 4.340 0.002 0.000 0.228 317 L C 0.632 177.535 176.870 0.055 0.000 1.123 317 L CA -0.044 54.833 54.840 0.061 0.000 0.890 317 L CB 0.021 42.140 42.059 0.100 0.000 1.103 317 L HN 0.353 nan 8.230 nan 0.000 0.468 318 L N 0.515 121.767 121.223 0.049 0.000 2.456 318 L HA 0.085 4.426 4.340 0.002 0.000 0.272 318 L C -0.042 176.852 176.870 0.041 0.000 1.189 318 L CA -0.001 54.869 54.840 0.050 0.000 0.846 318 L CB 0.338 42.426 42.059 0.050 0.000 1.111 318 L HN 0.042 nan 8.230 nan 0.000 0.475 319 D N 1.310 121.740 120.400 0.049 0.000 2.210 319 D HA 0.070 4.711 4.640 0.002 0.000 0.249 319 D C -0.462 175.867 176.300 0.048 0.000 1.062 319 D CA -0.290 53.736 54.000 0.044 0.000 0.891 319 D CB 1.559 42.386 40.800 0.045 0.000 1.186 319 D HN 0.400 nan 8.370 nan 0.000 0.432 320 D N 1.473 121.894 120.400 0.035 0.000 2.346 320 D HA 0.074 4.715 4.640 0.002 0.000 0.260 320 D C -0.343 175.985 176.300 0.046 0.000 1.252 320 D CA -0.023 53.996 54.000 0.031 0.000 0.895 320 D CB 0.052 40.863 40.800 0.019 0.000 1.097 320 D HN 0.352 nan 8.370 nan 0.000 0.489 321 N N 1.695 120.432 118.700 0.062 0.000 3.204 321 N HA 0.213 4.954 4.740 0.002 0.000 0.285 321 N C 0.623 176.194 175.510 0.101 0.000 1.536 321 N CA -0.873 52.229 53.050 0.087 0.000 0.832 321 N CB 0.659 39.212 38.487 0.110 0.000 1.645 321 N HN 0.189 nan 8.380 nan 0.000 0.586 322 R N -0.935 119.652 120.500 0.144 0.000 2.083 322 R HA -0.105 4.236 4.340 0.002 0.000 0.237 322 R C 1.720 178.139 176.300 0.199 0.000 1.137 322 R CA 1.646 57.852 56.100 0.177 0.000 0.951 322 R CB -0.558 29.883 30.300 0.234 0.000 0.851 322 R HN 0.548 nan 8.270 nan 0.000 0.434 323 F N 1.426 121.409 119.950 0.056 0.000 2.102 323 F HA -0.222 4.306 4.527 0.002 0.000 0.298 323 F C 2.403 178.083 175.800 -0.199 0.000 1.105 323 F CA 2.285 60.145 58.000 -0.234 0.000 1.239 323 F CB -0.723 38.077 39.000 -0.333 0.000 0.991 323 F HN 0.148 nan 8.300 nan 0.000 0.474 324 T N -1.522 112.929 114.554 -0.171 0.000 2.867 324 T HA -0.101 4.250 4.350 0.002 0.000 0.268 324 T C 2.094 176.651 174.700 -0.238 0.000 1.057 324 T CA 1.125 63.061 62.100 -0.273 0.000 1.136 324 T CB -0.523 68.316 68.868 -0.049 0.000 0.874 324 T HN 0.342 nan 8.240 nan 0.000 0.466 325 R N 1.042 121.463 120.500 -0.131 0.000 2.062 325 R HA -0.011 4.330 4.340 0.002 0.000 0.229 325 R C 2.291 178.522 176.300 -0.115 0.000 1.128 325 R CA 1.576 57.621 56.100 -0.091 0.000 0.960 325 R CB -0.372 29.911 30.300 -0.028 0.000 0.855 325 R HN 0.376 nan 8.270 nan 0.000 0.432 326 D N 0.709 121.040 120.400 -0.115 0.000 2.123 326 D HA -0.124 4.517 4.640 0.002 0.000 0.196 326 D C 1.688 177.864 176.300 -0.207 0.000 0.992 326 D CA 1.583 55.525 54.000 -0.096 0.000 0.833 326 D CB -0.177 40.643 40.800 0.033 0.000 0.954 326 D HN 0.239 nan 8.370 nan 0.000 0.455 327 A N -0.336 122.234 122.820 -0.416 0.000 2.066 327 A HA 0.291 4.612 4.320 0.002 0.000 0.218 327 A C 1.822 179.217 177.584 -0.314 0.000 1.157 327 A CA 1.408 53.167 52.037 -0.462 0.000 0.670 327 A CB -0.423 18.083 19.000 -0.824 0.000 0.804 327 A HN 0.305 nan 8.150 nan 0.000 0.453 328 G N -0.916 107.733 108.800 -0.250 0.000 2.176 328 G HA2 -0.230 3.731 3.960 0.002 0.000 0.252 328 G HA3 -0.230 3.731 3.960 0.002 0.000 0.252 328 G C 0.030 174.821 174.900 -0.182 0.000 1.024 328 G CA 0.335 45.325 45.100 -0.182 0.000 0.755 328 G HN 0.496 nan 8.290 nan 0.000 0.507 329 I N 0.416 120.861 120.570 -0.209 0.000 2.428 329 I HA 0.170 4.341 4.170 0.002 0.000 0.289 329 I C 0.749 176.801 176.117 -0.110 0.000 1.019 329 I CA -0.850 60.352 61.300 -0.164 0.000 1.351 329 I CB 1.000 38.898 38.000 -0.171 0.000 1.412 329 I HN 0.202 nan 8.210 nan 0.000 0.513 330 N N 3.611 122.256 118.700 -0.092 0.000 2.475 330 N HA 0.006 4.747 4.740 0.002 0.000 0.267 330 N C 0.726 176.197 175.510 -0.065 0.000 1.169 330 N CA 0.156 53.160 53.050 -0.076 0.000 0.947 330 N CB 0.761 39.198 38.487 -0.084 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.069 113.455 114.554 -0.049 0.000 3.044 331 T HA 0.197 4.548 4.350 0.002 0.000 0.260 331 T C -0.035 174.644 174.700 -0.036 0.000 1.019 331 T CA -0.317 61.765 62.100 -0.031 0.000 0.921 331 T CB -0.062 68.801 68.868 -0.009 0.000 1.053 331 T HN 0.349 nan 8.240 nan 0.000 0.533 332 D N 2.354 122.726 120.400 -0.048 0.000 2.294 332 D HA 0.291 4.933 4.640 0.002 0.000 0.250 332 D C -0.601 175.652 176.300 -0.080 0.000 1.058 332 D CA -0.360 53.617 54.000 -0.039 0.000 0.950 332 D CB 1.184 41.974 40.800 -0.017 0.000 1.158 332 D HN 0.251 nan 8.370 nan 0.000 0.453 333 D N 0.498 120.875 120.400 -0.038 0.000 2.362 333 D HA 0.337 4.978 4.640 0.002 0.000 0.242 333 D C 0.094 176.371 176.300 -0.038 0.000 1.132 333 D CA 0.206 54.185 54.000 -0.035 0.000 0.907 333 D CB 1.028 41.905 40.800 0.128 0.000 1.195 333 D HN 0.210 nan 8.370 nan 0.000 0.429 334 I N 0.375 120.880 120.570 -0.109 0.000 2.619 334 I HA 0.276 4.447 4.170 0.002 0.000 0.292 334 I C -0.743 175.444 176.117 0.117 0.000 1.100 334 I CA -1.085 60.168 61.300 -0.079 0.000 1.043 334 I CB 2.180 39.980 38.000 -0.334 0.000 1.239 334 I HN -0.095 nan 8.210 nan 0.000 0.420 335 V N 4.112 124.158 119.914 0.221 0.000 2.459 335 V HA 0.772 4.893 4.120 0.002 0.000 0.295 335 V C 0.148 176.435 176.094 0.322 0.000 1.029 335 V CA -0.511 61.967 62.300 0.296 0.000 0.874 335 V CB 1.595 33.505 31.823 0.145 0.000 0.985 335 V HN 0.844 nan 8.190 nan 0.000 0.438 336 A N 4.886 127.872 122.820 0.277 0.000 2.331 336 A HA 0.895 5.216 4.320 0.002 0.000 0.320 336 A C -1.248 176.491 177.584 0.258 0.000 1.138 336 A CA -0.524 51.618 52.037 0.177 0.000 0.790 336 A CB 1.324 20.261 19.000 -0.105 0.000 1.206 336 A HN 0.778 nan 8.150 nan 0.000 0.470 337 L N 2.329 123.690 121.223 0.230 0.000 2.376 337 L HA 0.819 5.160 4.340 0.002 0.000 0.275 337 L C 0.080 176.885 176.870 -0.108 0.000 0.987 337 L CA 0.076 54.977 54.840 0.102 0.000 0.828 337 L CB 1.684 43.903 42.059 0.266 0.000 1.249 337 L HN 0.871 nan 8.230 nan 0.000 0.409 338 G N 4.110 112.603 108.800 -0.511 0.000 2.620 338 G HA2 0.637 4.598 3.960 0.002 0.000 0.301 338 G HA3 0.637 4.598 3.960 0.002 0.000 0.301 338 G C -2.373 172.234 174.900 -0.488 0.000 1.347 338 G CA -0.542 44.149 45.100 -0.682 0.000 0.971 338 G HN 0.569 nan 8.290 nan 0.000 0.488 339 L N 1.700 122.783 121.223 -0.232 0.000 2.406 339 L HA 0.739 5.080 4.340 0.002 0.000 0.272 339 L C -1.061 175.795 176.870 -0.024 0.000 0.980 339 L CA -0.722 54.077 54.840 -0.068 0.000 0.831 339 L CB 2.230 44.282 42.059 -0.012 0.000 1.253 339 L HN 0.346 nan 8.230 nan 0.000 0.406 340 V N 5.279 125.224 119.914 0.051 0.000 2.482 340 V HA 0.342 4.463 4.120 0.002 0.000 0.295 340 V C -1.200 174.976 176.094 0.136 0.000 1.026 340 V CA -0.659 61.684 62.300 0.072 0.000 0.856 340 V CB 1.372 33.251 31.823 0.094 0.000 1.001 340 V HN 0.641 nan 8.190 nan 0.000 0.424 341 Y N 5.669 125.992 120.300 0.038 0.000 2.328 341 Y HA 0.677 5.228 4.550 0.002 0.000 0.337 341 Y C 0.106 176.067 175.900 0.101 0.000 1.008 341 Y CA -0.327 57.818 58.100 0.075 0.000 1.129 341 Y CB 1.307 39.807 38.460 0.066 0.000 1.185 341 Y HN 0.751 nan 8.280 nan 0.000 0.476 342 Q N 6.085 125.480 119.800 -0.674 0.000 2.456 342 Q HA 0.633 4.974 4.340 0.002 0.000 0.283 342 Q C -1.790 173.885 176.000 -0.543 0.000 1.084 342 Q CA -0.925 54.584 55.803 -0.490 0.000 0.801 342 Q CB 2.822 31.417 28.738 -0.237 0.000 1.434 342 Q HN 0.644 nan 8.270 nan 0.000 0.419 343 F N 0.000 119.773 119.950 -0.295 0.000 2.286 343 F HA 0.000 4.528 4.527 0.002 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 0.021 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574