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_B 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 0.000 177.712 177.584 0.213 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 1.939 122.229 120.200 0.149 0.000 2.166 2 E HA 0.358 4.930 4.350 0.370 0.000 0.279 2 E C 0.638 177.318 176.600 0.133 0.000 1.095 2 E CA 0.047 56.528 56.400 0.135 0.000 0.888 2 E CB 0.113 29.866 29.700 0.089 0.000 1.041 2 E HN 0.655 nan 8.360 nan 0.000 0.414 3 I N 2.323 122.990 120.570 0.163 0.000 4.018 3 I HA 0.328 4.721 4.170 0.370 0.000 0.337 3 I C -0.652 175.591 176.117 0.210 0.000 1.327 3 I CA -0.464 60.929 61.300 0.155 0.000 1.100 3 I CB 0.377 38.465 38.000 0.146 0.000 1.025 3 I HN 0.335 nan 8.210 nan 0.000 0.396 4 Y N 1.732 122.056 120.300 0.041 0.000 2.390 4 Y HA 0.551 5.325 4.550 0.373 0.000 0.324 4 Y C -1.833 174.084 175.900 0.029 0.000 1.151 4 Y CA -1.126 56.989 58.100 0.025 0.000 1.053 4 Y CB 1.315 39.782 38.460 0.011 0.000 1.277 4 Y HN 0.109 nan 8.280 nan 0.000 0.432 5 N N 5.593 124.027 118.700 -0.444 0.000 2.655 5 N HA 0.324 5.287 4.740 0.370 0.000 0.277 5 N C -2.153 173.095 175.510 -0.436 0.000 1.177 5 N CA -0.406 52.464 53.050 -0.301 0.000 0.882 5 N CB 1.453 39.872 38.487 -0.114 0.000 1.481 5 N HN 0.787 nan 8.380 nan 0.000 0.547 6 K N 2.118 122.254 120.400 -0.441 0.000 2.583 6 K HA 0.219 4.761 4.320 0.370 0.000 0.260 6 K C -1.273 175.258 176.600 -0.115 0.000 0.931 6 K CA -0.364 55.717 56.287 -0.343 0.000 0.849 6 K CB 0.760 32.905 32.500 -0.592 0.000 1.347 6 K HN 0.315 nan 8.250 nan 0.000 0.425 7 D N 2.917 123.286 120.400 -0.052 0.000 2.692 7 D HA -0.211 4.651 4.640 0.370 0.000 0.233 7 D C 0.684 177.006 176.300 0.036 0.000 1.172 7 D CA 2.259 56.263 54.000 0.007 0.000 0.636 7 D CB -1.066 39.755 40.800 0.034 0.000 1.028 7 D HN 1.061 nan 8.370 nan 0.000 0.419 8 G N -0.633 108.183 108.800 0.026 0.000 2.176 8 G HA2 -0.360 3.822 3.960 0.370 0.000 0.253 8 G HA3 -0.360 3.822 3.960 0.370 0.000 0.253 8 G C 0.197 175.142 174.900 0.076 0.000 0.979 8 G CA 0.350 45.479 45.100 0.047 0.000 0.641 8 G HN 0.645 nan 8.290 nan 0.000 0.530 9 N N 0.378 119.140 118.700 0.104 0.000 2.269 9 N HA 0.643 5.605 4.740 0.370 0.000 0.304 9 N C -0.438 175.178 175.510 0.177 0.000 1.072 9 N CA -0.473 52.675 53.050 0.163 0.000 0.802 9 N CB 1.072 39.694 38.487 0.226 0.000 1.348 9 N HN 0.580 nan 8.380 nan 0.000 0.484 10 K N 1.437 121.943 120.400 0.177 0.000 2.435 10 K HA 0.715 5.257 4.320 0.370 0.000 0.251 10 K C -1.820 174.907 176.600 0.212 0.000 0.954 10 K CA -0.955 55.443 56.287 0.186 0.000 0.820 10 K CB 1.951 34.510 32.500 0.099 0.000 1.292 10 K HN 0.336 nan 8.250 nan 0.000 0.436 11 L N 1.665 123.027 121.223 0.231 0.000 2.470 11 L HA 0.395 4.957 4.340 0.370 0.000 0.268 11 L C -1.903 175.092 176.870 0.209 0.000 0.964 11 L CA -0.183 54.777 54.840 0.199 0.000 0.839 11 L CB 1.958 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 4.458 125.004 120.400 0.242 0.000 2.349 12 D HA 0.298 5.160 4.640 0.370 0.000 0.232 12 D C -1.282 175.230 176.300 0.354 0.000 1.071 12 D CA -0.258 53.903 54.000 0.268 0.000 0.832 12 D CB 1.430 42.370 40.800 0.233 0.000 1.086 12 D HN 0.493 nan 8.370 nan 0.000 0.504 13 L N 6.625 128.041 121.223 0.321 0.000 2.257 13 L HA 0.409 4.971 4.340 0.370 0.000 0.290 13 L C -1.346 175.744 176.870 0.366 0.000 1.044 13 L CA -0.432 54.603 54.840 0.325 0.000 0.810 13 L CB 0.189 42.430 42.059 0.304 0.000 1.193 13 L HN 0.335 nan 8.230 nan 0.000 0.425 14 Y N 2.994 123.341 120.300 0.079 0.000 2.602 14 Y HA 1.024 5.804 4.550 0.383 0.000 0.342 14 Y C -0.055 175.464 175.900 -0.634 0.000 1.029 14 Y CA -0.748 57.147 58.100 -0.342 0.000 1.080 14 Y CB 1.672 40.002 38.460 -0.216 0.000 1.284 14 Y HN 0.799 nan 8.280 nan 0.000 0.485 15 G N 1.006 109.198 108.800 -1.014 0.000 2.338 15 G HA2 0.507 4.689 3.960 0.370 0.000 0.295 15 G HA3 0.507 4.689 3.960 0.370 0.000 0.295 15 G C -2.339 172.240 174.900 -0.535 0.000 1.461 15 G CA -1.058 43.609 45.100 -0.722 0.000 0.817 15 G HN 1.056 nan 8.290 nan 0.000 0.556 16 K N -1.505 118.809 120.400 -0.144 0.000 2.556 16 K HA 0.765 5.307 4.320 0.370 0.000 0.274 16 K C -1.665 174.942 176.600 0.013 0.000 0.966 16 K CA -1.026 55.241 56.287 -0.033 0.000 0.865 16 K CB 2.272 34.726 32.500 -0.076 0.000 1.444 16 K HN 0.594 nan 8.250 nan 0.000 0.433 17 V N 0.901 120.850 119.914 0.058 0.000 2.409 17 V HA 0.358 4.700 4.120 0.370 0.000 0.291 17 V C -0.871 175.155 176.094 -0.114 0.000 1.020 17 V CA -0.596 61.684 62.300 -0.032 0.000 0.848 17 V CB 1.220 33.079 31.823 0.060 0.000 0.990 17 V HN 0.908 nan 8.190 nan 0.000 0.430 18 E N 3.269 123.273 120.200 -0.326 0.000 2.101 18 E HA 0.540 5.112 4.350 0.370 0.000 0.260 18 E C 0.374 176.841 176.600 -0.221 0.000 0.897 18 E CA -0.424 55.783 56.400 -0.322 0.000 0.744 18 E CB 1.173 30.500 29.700 -0.622 0.000 1.140 18 E HN 0.892 nan 8.360 nan 0.000 0.419 19 G N 4.226 112.960 108.800 -0.110 0.000 2.367 19 G HA2 0.376 4.558 3.960 0.370 0.000 0.280 19 G HA3 0.376 4.558 3.960 0.370 0.000 0.280 19 G C -0.955 173.910 174.900 -0.059 0.000 1.175 19 G CA -0.155 44.906 45.100 -0.065 0.000 1.001 19 G HN 0.387 nan 8.290 nan 0.000 0.437 20 L N 2.498 123.712 121.223 -0.014 0.000 2.436 20 L HA 0.652 5.215 4.340 0.370 0.000 0.268 20 L C -1.156 175.756 176.870 0.071 0.000 0.974 20 L CA -1.115 53.746 54.840 0.035 0.000 0.826 20 L CB 2.270 44.389 42.059 0.100 0.000 1.291 20 L HN 0.628 nan 8.230 nan 0.000 0.406 21 H N 3.161 122.226 119.070 -0.008 0.000 2.667 21 H HA 0.613 5.391 4.556 0.370 0.000 0.353 21 H C -1.644 173.668 175.328 -0.025 0.000 1.072 21 H CA -0.309 55.669 56.048 -0.116 0.000 1.214 21 H CB 1.222 30.817 29.762 -0.279 0.000 1.600 21 H HN 0.492 nan 8.280 nan 0.000 0.527 22 Y N 4.114 124.053 120.300 -0.603 0.000 2.342 22 Y HA 0.322 5.097 4.550 0.375 0.000 0.334 22 Y C -0.860 174.759 175.900 -0.468 0.000 1.067 22 Y CA -1.043 56.874 58.100 -0.305 0.000 1.128 22 Y CB 0.652 39.025 38.460 -0.145 0.000 1.200 22 Y HN 0.512 nan 8.280 nan 0.000 0.464 23 F N 1.490 121.563 119.950 0.205 0.000 2.449 23 F HA 0.585 5.336 4.527 0.373 0.000 0.342 23 F C 0.195 176.050 175.800 0.091 0.000 1.127 23 F CA -0.492 57.602 58.000 0.157 0.000 0.975 23 F CB 2.019 41.100 39.000 0.136 0.000 1.146 23 F HN 0.293 nan 8.300 nan 0.000 0.444 24 S N 1.302 117.142 115.700 0.234 0.000 2.547 24 S HA 0.271 4.963 4.470 0.370 0.000 0.270 24 S C -0.120 174.545 174.600 0.107 0.000 1.150 24 S CA -0.726 57.557 58.200 0.138 0.000 0.850 24 S CB 1.277 64.533 63.200 0.095 0.000 1.118 24 S HN 0.596 nan 8.310 nan 0.000 0.461 25 D N 1.497 121.942 120.400 0.076 0.000 2.269 25 D HA -0.011 4.851 4.640 0.370 0.000 0.208 25 D C 0.440 176.764 176.300 0.040 0.000 0.963 25 D CA 0.695 54.729 54.000 0.057 0.000 0.864 25 D CB -0.147 40.679 40.800 0.044 0.000 0.936 25 D HN 0.453 nan 8.370 nan 0.000 0.505 26 N N 1.924 120.644 118.700 0.033 0.000 2.405 26 N HA -0.055 4.907 4.740 0.370 0.000 0.260 26 N C 0.342 175.868 175.510 0.027 0.000 1.152 26 N CA 0.062 53.124 53.050 0.019 0.000 0.948 26 N CB 0.865 39.354 38.487 0.003 0.000 1.111 26 N HN -0.151 nan 8.380 nan 0.000 0.485 27 D N 1.222 121.634 120.400 0.019 0.000 2.218 27 D HA -0.148 4.714 4.640 0.370 0.000 0.204 27 D C 1.389 177.693 176.300 0.006 0.000 0.976 27 D CA 1.116 55.127 54.000 0.017 0.000 0.853 27 D CB 0.016 40.823 40.800 0.011 0.000 0.939 27 D HN 0.685 nan 8.370 nan 0.000 0.481 28 S N -0.341 115.358 115.700 -0.001 0.000 2.561 28 S HA 0.008 4.700 4.470 0.370 0.000 0.225 28 S C 1.362 175.963 174.600 0.002 0.000 0.977 28 S CA 0.372 58.565 58.200 -0.012 0.000 0.926 28 S CB 0.180 63.367 63.200 -0.023 0.000 0.769 28 S HN 0.003 nan 8.310 nan 0.000 0.533 29 K N 0.862 121.284 120.400 0.037 0.000 2.413 29 K HA 0.318 4.861 4.320 0.370 0.000 0.204 29 K C -0.861 175.829 176.600 0.151 0.000 1.041 29 K CA 0.015 56.376 56.287 0.122 0.000 1.082 29 K CB 0.396 32.977 32.500 0.136 0.000 0.871 29 K HN 0.431 nan 8.250 nan 0.000 0.535 30 D N 0.134 120.559 120.400 0.041 0.000 2.308 30 D HA 0.524 5.386 4.640 0.370 0.000 0.242 30 D C 0.250 176.470 176.300 -0.134 0.000 1.059 30 D CA 0.233 54.232 54.000 -0.001 0.000 0.830 30 D CB 1.111 41.936 40.800 0.041 0.000 1.161 30 D HN 0.255 nan 8.370 nan 0.000 0.494 31 G N 3.116 111.683 108.800 -0.388 0.000 2.318 31 G HA2 -0.023 4.160 3.960 0.370 0.000 0.367 31 G HA3 -0.023 4.160 3.960 0.370 0.000 0.367 31 G C -1.049 173.379 174.900 -0.787 0.000 1.260 31 G CA -0.703 44.049 45.100 -0.580 0.000 1.055 31 G HN 0.603 nan 8.290 nan 0.000 0.484 32 D N 0.394 120.562 120.400 -0.386 0.000 2.417 32 D HA 0.478 5.340 4.640 0.370 0.000 0.250 32 D C 0.829 176.994 176.300 -0.225 0.000 1.166 32 D CA 0.185 54.064 54.000 -0.202 0.000 0.881 32 D CB 0.719 41.499 40.800 -0.032 0.000 1.164 32 D HN 0.356 nan 8.370 nan 0.000 0.467 33 K N 2.401 122.679 120.400 -0.204 0.000 2.536 33 K HA 0.123 4.665 4.320 0.370 0.000 0.203 33 K C -0.208 176.399 176.600 0.012 0.000 1.063 33 K CA -0.297 55.873 56.287 -0.195 0.000 1.063 33 K CB 0.421 32.637 32.500 -0.472 0.000 0.843 33 K HN 0.408 nan 8.250 nan 0.000 0.521 34 T N 2.530 117.091 114.554 0.011 0.000 2.933 34 T HA 0.034 4.606 4.350 0.370 0.000 0.306 34 T C -0.068 174.698 174.700 0.108 0.000 1.045 34 T CA 0.817 62.932 62.100 0.025 0.000 1.143 34 T CB -0.152 68.712 68.868 -0.008 0.000 1.003 34 T HN 0.281 nan 8.240 nan 0.000 0.540 35 Y N 0.474 120.745 120.300 -0.048 0.000 2.670 35 Y HA 0.756 5.523 4.550 0.361 0.000 0.334 35 Y C -1.179 174.687 175.900 -0.057 0.000 1.185 35 Y CA -1.757 56.296 58.100 -0.077 0.000 1.053 35 Y CB 1.488 39.883 38.460 -0.109 0.000 1.298 35 Y HN 0.461 nan 8.280 nan 0.000 0.459 36 M N 2.720 122.350 119.600 0.051 0.000 2.464 36 M HA 0.590 5.293 4.480 0.370 0.000 0.308 36 M C -1.835 174.497 176.300 0.054 0.000 1.127 36 M CA -0.517 54.773 55.300 -0.017 0.000 0.913 36 M CB 2.467 35.069 32.600 0.003 0.000 1.689 36 M HN 1.065 nan 8.290 nan 0.000 0.445 37 R N 2.567 123.076 120.500 0.015 0.000 2.750 37 R HA 0.835 5.397 4.340 0.370 0.000 0.281 37 R C -1.851 174.389 176.300 -0.100 0.000 0.972 37 R CA -0.786 55.292 56.100 -0.037 0.000 0.912 37 R CB 2.550 32.870 30.300 0.034 0.000 1.187 37 R HN 0.612 nan 8.270 nan 0.000 0.464 38 L N 0.838 121.937 121.223 -0.206 0.000 2.513 38 L HA 0.793 5.356 4.340 0.370 0.000 0.261 38 L C -1.262 175.268 176.870 -0.568 0.000 0.945 38 L CA 0.008 54.689 54.840 -0.266 0.000 0.848 38 L CB 2.336 44.374 42.059 -0.035 0.000 1.334 38 L HN 0.733 nan 8.230 nan 0.000 0.407 39 G N 2.531 110.807 108.800 -0.873 0.000 2.645 39 G HA2 0.662 4.844 3.960 0.370 0.000 0.292 39 G HA3 0.662 4.844 3.960 0.370 0.000 0.292 39 G C -1.935 172.649 174.900 -0.526 0.000 1.415 39 G CA -0.383 44.150 45.100 -0.945 0.000 0.785 39 G HN 0.882 nan 8.290 nan 0.000 0.483 40 F N -0.873 119.028 119.950 -0.082 0.000 2.576 40 F HA 0.893 5.637 4.527 0.362 0.000 0.313 40 F C -0.721 175.232 175.800 0.254 0.000 1.078 40 F CA -1.270 56.810 58.000 0.134 0.000 0.921 40 F CB 2.585 41.681 39.000 0.160 0.000 1.232 40 F HN 0.492 nan 8.300 nan 0.000 0.459 41 K N 2.538 123.288 120.400 0.584 0.000 2.507 41 K HA 0.650 5.192 4.320 0.370 0.000 0.252 41 K C -1.165 175.658 176.600 0.370 0.000 0.943 41 K CA -0.792 55.737 56.287 0.404 0.000 0.808 41 K CB 1.901 34.570 32.500 0.282 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 0.358 0.000 2.566 42 G HA2 0.404 4.586 3.960 0.370 0.000 0.311 42 G HA3 0.404 4.586 3.960 0.370 0.000 0.311 42 G C -1.616 173.437 174.900 0.255 0.000 1.322 42 G CA -0.377 44.888 45.100 0.274 0.000 0.969 42 G HN 0.585 nan 8.290 nan 0.000 0.490 43 E N 0.613 120.936 120.200 0.204 0.000 2.263 43 E HA 0.538 5.111 4.350 0.370 0.000 0.268 43 E C -1.372 175.325 176.600 0.161 0.000 0.884 43 E CA -0.627 55.892 56.400 0.198 0.000 0.766 43 E CB 2.242 32.029 29.700 0.145 0.000 1.196 43 E HN 0.390 nan 8.360 nan 0.000 0.416 44 T N 3.343 117.995 114.554 0.163 0.000 2.824 44 T HA 0.234 4.806 4.350 0.370 0.000 0.282 44 T C -0.946 173.826 174.700 0.119 0.000 0.993 44 T CA -0.657 61.520 62.100 0.129 0.000 0.967 44 T CB 1.262 70.199 68.868 0.117 0.000 0.960 44 T HN 0.396 nan 8.240 nan 0.000 0.441 45 Q N 4.151 124.007 119.800 0.093 0.000 2.307 45 Q HA 0.234 4.796 4.340 0.370 0.000 0.259 45 Q C 0.928 176.978 176.000 0.083 0.000 0.998 45 Q CA -0.119 55.733 55.803 0.082 0.000 0.923 45 Q CB 1.708 30.480 28.738 0.057 0.000 1.196 45 Q HN 0.608 nan 8.270 nan 0.000 0.416 46 V N 2.120 122.092 119.914 0.097 0.000 2.341 46 V HA -0.039 4.303 4.120 0.370 0.000 0.240 46 V C 1.223 177.371 176.094 0.088 0.000 1.035 46 V CA 1.860 64.217 62.300 0.095 0.000 1.033 46 V CB 0.057 31.948 31.823 0.113 0.000 0.678 46 V HN 0.852 nan 8.190 nan 0.000 0.464 47 T N -3.574 111.041 114.554 0.102 0.000 2.773 47 T HA 0.269 4.842 4.350 0.370 0.000 0.278 47 T C 0.368 175.104 174.700 0.061 0.000 1.011 47 T CA -0.314 61.840 62.100 0.091 0.000 1.014 47 T CB 1.563 70.510 68.868 0.131 0.000 1.293 47 T HN 0.109 nan 8.240 nan 0.000 0.554 48 D N 0.079 120.503 120.400 0.040 0.000 2.263 48 D HA -0.053 4.809 4.640 0.370 0.000 0.208 48 D C 1.679 177.947 176.300 -0.054 0.000 0.971 48 D CA 1.261 55.261 54.000 0.001 0.000 0.867 48 D CB 0.154 40.953 40.800 -0.002 0.000 0.929 48 D HN 0.614 nan 8.370 nan 0.000 0.492 49 Q N -0.757 118.990 119.800 -0.088 0.000 2.378 49 Q HA 0.157 4.720 4.340 0.370 0.000 0.229 49 Q C 0.048 175.889 176.000 -0.264 0.000 0.882 49 Q CA -0.196 55.402 55.803 -0.341 0.000 0.936 49 Q CB 1.142 29.440 28.738 -0.733 0.000 1.092 49 Q HN 0.043 nan 8.270 nan 0.000 0.535 50 L N 1.949 123.211 121.223 0.065 0.000 2.298 50 L HA 0.371 4.933 4.340 0.370 0.000 0.284 50 L C -0.497 176.472 176.870 0.166 0.000 1.013 50 L CA -0.147 54.840 54.840 0.245 0.000 0.824 50 L CB 1.487 43.776 42.059 0.383 0.000 1.221 50 L HN -0.014 nan 8.230 nan 0.000 0.418 51 T N 1.435 116.096 114.554 0.178 0.000 2.888 51 T HA 0.872 5.444 4.350 0.370 0.000 0.284 51 T C 0.098 174.951 174.700 0.254 0.000 1.017 51 T CA -0.448 61.764 62.100 0.188 0.000 1.022 51 T CB 1.638 70.604 68.868 0.164 0.000 1.013 51 T HN 0.793 nan 8.240 nan 0.000 0.465 52 G N 1.330 110.263 108.800 0.222 0.000 2.400 52 G HA2 0.681 4.863 3.960 0.370 0.000 0.333 52 G HA3 0.681 4.863 3.960 0.370 0.000 0.333 52 G C -1.433 173.636 174.900 0.283 0.000 1.143 52 G CA -1.095 44.119 45.100 0.191 0.000 0.914 52 G HN 1.000 nan 8.290 nan 0.000 0.480 53 Y N -1.290 119.102 120.300 0.153 0.000 2.638 53 Y HA 0.816 5.587 4.550 0.368 0.000 0.335 53 Y C -0.126 175.877 175.900 0.170 0.000 1.155 53 Y CA -1.378 56.818 58.100 0.159 0.000 1.046 53 Y CB 1.360 39.920 38.460 0.166 0.000 1.303 53 Y HN 0.950 nan 8.280 nan 0.000 0.460 54 G N 0.853 109.842 108.800 0.315 0.000 2.718 54 G HA2 0.539 4.721 3.960 0.370 0.000 0.295 54 G HA3 0.539 4.721 3.960 0.370 0.000 0.295 54 G C -2.482 172.465 174.900 0.078 0.000 1.421 54 G CA -0.970 44.225 45.100 0.159 0.000 0.902 54 G HN 0.887 nan 8.290 nan 0.000 0.501 55 Q N -0.252 119.329 119.800 -0.366 0.000 2.353 55 Q HA 0.562 5.124 4.340 0.370 0.000 0.275 55 Q C -2.370 173.266 176.000 -0.606 0.000 1.029 55 Q CA -0.933 54.568 55.803 -0.504 0.000 0.848 55 Q CB 2.844 31.253 28.738 -0.548 0.000 1.390 55 Q HN 0.665 nan 8.270 nan 0.000 0.401 56 W N 3.271 124.065 121.300 -0.844 0.000 3.097 56 W HA 0.563 5.396 4.660 0.289 0.000 0.335 56 W C -1.885 174.361 176.519 -0.456 0.000 1.114 56 W CA -0.241 56.676 57.345 -0.713 0.000 1.231 56 W CB 1.598 30.400 29.460 -1.097 0.000 1.388 56 W HN 0.715 nan 8.180 nan 0.000 0.485 57 E N 4.695 124.292 120.200 -1.005 0.000 2.308 57 E HA 0.372 4.944 4.350 0.370 0.000 0.275 57 E C -2.335 173.722 176.600 -0.905 0.000 0.890 57 E CA -0.778 55.106 56.400 -0.860 0.000 0.754 57 E CB 2.178 31.719 29.700 -0.265 0.000 1.207 57 E HN 0.411 nan 8.360 nan 0.000 0.426 58 Y N 2.018 121.697 120.300 -1.035 0.000 2.477 58 Y HA 0.339 4.929 4.550 0.068 0.000 0.347 58 Y C -1.201 174.374 175.900 -0.542 0.000 0.981 58 Y CA -0.593 57.038 58.100 -0.781 0.000 1.033 58 Y CB 2.181 40.125 38.460 -0.859 0.000 1.245 58 Y HN 0.587 nan 8.280 nan 0.000 0.455 59 Q N 4.978 124.228 119.800 -0.917 0.000 2.337 59 Q HA 0.752 5.314 4.340 0.370 0.000 0.266 59 Q C -1.887 173.440 176.000 -1.121 0.000 1.023 59 Q CA -0.653 54.590 55.803 -0.934 0.000 0.829 59 Q CB 1.459 29.524 28.738 -1.122 0.000 1.306 59 Q HN 0.733 nan 8.270 nan 0.000 0.449 60 I N 3.439 123.635 120.570 -0.624 0.000 2.468 60 I HA 0.227 4.619 4.170 0.370 0.000 0.285 60 I C -0.574 175.390 176.117 -0.255 0.000 1.039 60 I CA -1.080 59.961 61.300 -0.432 0.000 1.074 60 I CB 1.879 39.776 38.000 -0.171 0.000 1.228 60 I HN 0.514 nan 8.210 nan 0.000 0.436 61 Q N 3.626 123.273 119.800 -0.256 0.000 2.364 61 Q HA 0.214 4.776 4.340 0.370 0.000 0.267 61 Q C 0.862 176.846 176.000 -0.026 0.000 0.999 61 Q CA 0.189 55.937 55.803 -0.090 0.000 0.886 61 Q CB 1.450 30.162 28.738 -0.043 0.000 1.243 61 Q HN 0.926 nan 8.270 nan 0.000 0.415 62 G N 1.774 110.584 108.800 0.017 0.000 3.651 62 G HA2 -0.037 4.145 3.960 0.370 0.000 0.279 62 G HA3 -0.037 4.145 3.960 0.370 0.000 0.279 62 G C 0.391 175.293 174.900 0.004 0.000 1.024 62 G CA -0.271 44.833 45.100 0.007 0.000 0.813 62 G HN 0.599 nan 8.290 nan 0.000 0.518 63 N N -0.017 118.684 118.700 0.001 0.000 2.204 63 N HA 0.121 5.083 4.740 0.370 0.000 0.219 63 N C -0.112 175.391 175.510 -0.012 0.000 1.151 63 N CA -0.244 52.800 53.050 -0.011 0.000 0.867 63 N CB 0.633 39.101 38.487 -0.032 0.000 1.043 63 N HN 0.301 nan 8.380 nan 0.000 0.516 64 E N 0.997 121.195 120.200 -0.004 0.000 2.235 64 E HA 0.464 5.036 4.350 0.370 0.000 0.265 64 E C -2.264 174.337 176.600 0.002 0.000 0.940 64 E CA -1.926 54.474 56.400 -0.000 0.000 0.819 64 E CB 1.482 31.186 29.700 0.006 0.000 1.206 64 E HN 0.167 nan 8.360 nan 0.000 0.409 65 P HA 0.082 nan 4.420 nan 0.000 0.274 65 P C -0.254 177.051 177.300 0.008 0.000 1.256 65 P CA -0.067 63.036 63.100 0.005 0.000 0.795 65 P CB 0.759 32.461 31.700 0.004 0.000 1.038 66 E N -0.368 119.837 120.200 0.008 0.000 2.427 66 E HA -0.087 4.486 4.350 0.370 0.000 0.196 66 E C 1.626 178.233 176.600 0.013 0.000 1.028 66 E CA 0.873 57.279 56.400 0.011 0.000 0.864 66 E CB -0.018 29.688 29.700 0.009 0.000 0.813 66 E HN 0.492 nan 8.360 nan 0.000 0.514 67 S N 0.226 115.933 115.700 0.012 0.000 2.496 67 S HA -0.080 4.612 4.470 0.370 0.000 0.224 67 S C 0.637 175.246 174.600 0.016 0.000 0.996 67 S CA 0.455 58.663 58.200 0.013 0.000 0.927 67 S CB 0.354 63.560 63.200 0.010 0.000 0.774 67 S HN 0.041 nan 8.310 nan 0.000 0.524 68 D N 0.708 121.118 120.400 0.017 0.000 2.752 68 D HA 0.222 5.084 4.640 0.370 0.000 0.242 68 D C -1.460 174.854 176.300 0.024 0.000 1.295 68 D CA -0.226 53.786 54.000 0.021 0.000 0.846 68 D CB -0.084 40.725 40.800 0.016 0.000 1.454 68 D HN 0.403 nan 8.370 nan 0.000 0.535 69 N N 1.122 119.839 118.700 0.029 0.000 2.372 69 N HA 0.472 5.435 4.740 0.370 0.000 0.291 69 N C -0.703 174.831 175.510 0.041 0.000 1.024 69 N CA -0.449 52.618 53.050 0.028 0.000 0.873 69 N CB 0.970 39.469 38.487 0.021 0.000 1.206 69 N HN 0.223 nan 8.380 nan 0.000 0.486 70 S N 1.619 117.347 115.700 0.046 0.000 2.509 70 S HA 0.716 5.408 4.470 0.370 0.000 0.297 70 S C -0.449 174.151 174.600 0.000 0.000 1.118 70 S CA -0.619 57.634 58.200 0.089 0.000 1.074 70 S CB 1.553 64.854 63.200 0.168 0.000 1.038 70 S HN 0.631 nan 8.310 nan 0.000 0.498 71 S N 0.527 116.227 115.700 -0.001 0.000 2.625 71 S HA 0.908 5.600 4.470 0.370 0.000 0.271 71 S C -1.574 172.923 174.600 -0.171 0.000 1.161 71 S CA -1.049 56.918 58.200 -0.389 0.000 0.820 71 S CB 0.711 63.662 63.200 -0.415 0.000 1.137 71 S HN 1.596 nan 8.310 nan 0.000 0.470 72 W N -1.195 119.701 121.300 -0.673 0.000 3.298 72 W HA 0.639 5.531 4.660 0.386 0.000 0.302 72 W C -1.689 174.586 176.519 -0.406 0.000 1.255 72 W CA -0.832 56.285 57.345 -0.380 0.000 1.196 72 W CB 0.321 29.657 29.460 -0.206 0.000 1.364 72 W HN 0.571 nan 8.180 nan 0.000 0.566 73 T N 2.922 117.635 114.554 0.266 0.000 2.749 73 T HA 0.261 4.833 4.350 0.370 0.000 0.295 73 T C 0.990 175.789 174.700 0.165 0.000 0.936 73 T CA -0.349 61.908 62.100 0.262 0.000 1.060 73 T CB 1.144 70.233 68.868 0.368 0.000 0.904 73 T HN 0.512 nan 8.240 nan 0.000 0.500 74 R N 1.879 122.391 120.500 0.020 0.000 2.064 74 R HA 0.197 4.759 4.340 0.370 0.000 0.221 74 R C 0.824 177.102 176.300 -0.037 0.000 1.136 74 R CA 0.545 56.654 56.100 0.016 0.000 0.980 74 R CB 0.198 30.488 30.300 -0.017 0.000 0.876 74 R HN 0.590 nan 8.270 nan 0.000 0.437 75 V N -3.528 116.361 119.914 -0.041 0.000 2.962 75 V HA 0.895 5.237 4.120 0.370 0.000 0.313 75 V C -1.462 174.659 176.094 0.046 0.000 1.099 75 V CA -1.127 61.213 62.300 0.066 0.000 0.971 75 V CB 2.019 33.975 31.823 0.222 0.000 1.028 75 V HN 0.092 nan 8.190 nan 0.000 0.430 76 A N 4.244 127.157 122.820 0.155 0.000 2.562 76 A HA 0.802 5.344 4.320 0.370 0.000 0.297 76 A C -1.130 176.550 177.584 0.161 0.000 1.100 76 A CA -0.293 51.817 52.037 0.121 0.000 0.914 76 A CB 0.383 19.528 19.000 0.241 0.000 1.490 76 A HN 2.177 nan 8.150 nan 0.000 0.391 77 F N -0.098 119.900 119.950 0.079 0.000 2.631 77 F HA 0.941 5.692 4.527 0.374 0.000 0.308 77 F C -0.264 175.577 175.800 0.068 0.000 1.097 77 F CA -0.939 57.090 58.000 0.049 0.000 0.952 77 F CB 1.271 40.290 39.000 0.032 0.000 1.307 77 F HN 0.815 nan 8.300 nan 0.000 0.450 78 A N 1.008 123.984 122.820 0.261 0.000 2.374 78 A HA 1.015 5.558 4.320 0.370 0.000 0.317 78 A C -0.382 177.174 177.584 -0.045 0.000 1.094 78 A CA -0.342 51.747 52.037 0.087 0.000 0.765 78 A CB 1.251 20.305 19.000 0.091 0.000 1.268 78 A HN 1.879 nan 8.150 nan 0.000 0.438 79 G N -0.380 108.127 108.800 -0.489 0.000 2.608 79 G HA2 0.586 4.769 3.960 0.370 0.000 0.291 79 G HA3 0.586 4.769 3.960 0.370 0.000 0.291 79 G C -1.762 172.755 174.900 -0.638 0.000 1.425 79 G CA -0.636 44.068 45.100 -0.660 0.000 0.787 79 G HN 0.758 nan 8.290 nan 0.000 0.484 80 L N -0.048 121.114 121.223 -0.102 0.000 2.370 80 L HA 0.711 5.273 4.340 0.370 0.000 0.266 80 L C -0.308 176.790 176.870 0.381 0.000 1.002 80 L CA -0.901 54.040 54.840 0.169 0.000 0.818 80 L CB 2.655 44.830 42.059 0.192 0.000 1.325 80 L HN 0.517 nan 8.230 nan 0.000 0.418 81 K N 2.157 122.793 120.400 0.394 0.000 2.507 81 K HA 0.482 5.024 4.320 0.370 0.000 0.252 81 K C -1.882 174.885 176.600 0.278 0.000 0.943 81 K CA -0.460 56.011 56.287 0.308 0.000 0.808 81 K CB 1.640 34.281 32.500 0.234 0.000 1.142 81 K HN 0.372 nan 8.250 nan 0.000 0.426 82 F N 2.989 122.997 119.950 0.096 0.000 2.469 82 F HA 0.303 5.052 4.527 0.370 0.000 0.332 82 F C 0.028 175.859 175.800 0.052 0.000 1.103 82 F CA -0.480 57.567 58.000 0.079 0.000 0.979 82 F CB 1.708 40.762 39.000 0.091 0.000 1.137 82 F HN 0.523 nan 8.300 nan 0.000 0.463 83 Q N 3.973 123.442 119.800 -0.550 0.000 2.300 83 Q HA 0.125 4.688 4.340 0.370 0.000 0.280 83 Q C 0.021 175.934 176.000 -0.144 0.000 1.033 83 Q CA 0.889 56.503 55.803 -0.315 0.000 0.903 83 Q CB 0.167 28.690 28.738 -0.359 0.000 1.195 83 Q HN 0.714 nan 8.270 nan 0.000 0.386 84 D N 1.871 122.247 120.400 -0.039 0.000 3.039 84 D HA -0.181 4.681 4.640 0.370 0.000 0.222 84 D C 0.047 176.440 176.300 0.155 0.000 1.179 84 D CA 1.113 55.145 54.000 0.053 0.000 0.880 84 D CB -1.325 39.527 40.800 0.086 0.000 1.115 84 D HN 0.345 nan 8.370 nan 0.000 0.416 85 V N -1.858 118.146 119.914 0.150 0.000 3.251 85 V HA 0.576 4.919 4.120 0.370 0.000 0.239 85 V C 1.287 177.426 176.094 0.074 0.000 1.332 85 V CA 0.953 63.409 62.300 0.259 0.000 1.224 85 V CB 1.161 33.267 31.823 0.472 0.000 1.004 85 V HN 0.595 nan 8.190 nan 0.000 0.464 86 G N 0.702 109.500 108.800 -0.004 0.000 2.331 86 G HA2 0.235 4.417 3.960 0.370 0.000 0.402 86 G HA3 0.235 4.417 3.960 0.370 0.000 0.402 86 G C -0.606 174.233 174.900 -0.102 0.000 1.275 86 G CA -0.062 44.896 45.100 -0.237 0.000 1.003 86 G HN 0.921 nan 8.290 nan 0.000 0.500 87 S N -1.310 114.245 115.700 -0.243 0.000 2.599 87 S HA 0.874 5.566 4.470 0.370 0.000 0.294 87 S C -1.126 173.521 174.600 0.077 0.000 1.094 87 S CA -0.575 57.638 58.200 0.022 0.000 0.931 87 S CB 2.487 65.729 63.200 0.071 0.000 1.093 87 S HN 1.942 nan 8.310 nan 0.000 0.488 88 F N 1.536 121.552 119.950 0.112 0.000 2.561 88 F HA 0.669 5.419 4.527 0.372 0.000 0.313 88 F C -1.864 174.020 175.800 0.140 0.000 1.126 88 F CA -0.491 57.594 58.000 0.142 0.000 0.918 88 F CB 1.678 40.789 39.000 0.185 0.000 1.199 88 F HN 0.920 nan 8.300 nan 0.000 0.444 89 D N 3.438 123.412 120.400 -0.711 0.000 2.661 89 D HA 0.382 5.244 4.640 0.370 0.000 0.228 89 D C -2.067 173.867 176.300 -0.609 0.000 1.183 89 D CA -0.559 53.136 54.000 -0.508 0.000 0.844 89 D CB 1.912 42.642 40.800 -0.116 0.000 1.555 89 D HN 0.475 nan 8.370 nan 0.000 0.453 90 Y N 0.431 120.534 120.300 -0.328 0.000 2.442 90 Y HA 0.699 5.472 4.550 0.372 0.000 0.344 90 Y C 0.127 176.083 175.900 0.095 0.000 0.976 90 Y CA 0.327 58.359 58.100 -0.113 0.000 1.040 90 Y CB 1.910 40.381 38.460 0.019 0.000 1.228 90 Y HN 0.964 nan 8.280 nan 0.000 0.451 91 G N 4.290 112.668 108.800 -0.703 0.000 2.373 91 G HA2 0.078 4.260 3.960 0.370 0.000 0.250 91 G HA3 0.078 4.260 3.960 0.370 0.000 0.250 91 G C -1.764 172.985 174.900 -0.252 0.000 1.304 91 G CA -1.198 43.648 45.100 -0.424 0.000 0.948 91 G HN 0.739 nan 8.290 nan 0.000 0.474 92 R N 0.777 121.264 120.500 -0.023 0.000 2.298 92 R HA 0.600 5.162 4.340 0.370 0.000 0.310 92 R C -0.325 176.080 176.300 0.176 0.000 1.068 92 R CA -0.201 55.922 56.100 0.038 0.000 0.957 92 R CB 0.497 30.822 30.300 0.042 0.000 1.003 92 R HN 0.647 nan 8.270 nan 0.000 0.454 93 N N 2.195 121.019 118.700 0.207 0.000 3.449 93 N HA 0.169 5.131 4.740 0.370 0.000 0.312 93 N C -1.875 173.605 175.510 -0.050 0.000 1.557 93 N CA -0.639 52.471 53.050 0.101 0.000 0.864 93 N CB 0.567 39.015 38.487 -0.065 0.000 1.799 93 N HN 0.361 nan 8.380 nan 0.000 0.554 94 Y N 0.696 120.893 120.300 -0.172 0.000 2.327 94 Y HA 0.451 5.224 4.550 0.372 0.000 0.336 94 Y C 1.448 176.947 175.900 -0.668 0.000 1.035 94 Y CA -0.133 57.792 58.100 -0.291 0.000 1.165 94 Y CB 0.927 39.283 38.460 -0.174 0.000 1.181 94 Y HN 0.484 nan 8.280 nan 0.000 0.494 95 G N 1.685 110.119 108.800 -0.610 0.000 2.491 95 G HA2 0.108 4.290 3.960 0.370 0.000 0.238 95 G HA3 0.108 4.290 3.960 0.370 0.000 0.238 95 G C 0.940 175.652 174.900 -0.314 0.000 1.277 95 G CA -0.439 44.221 45.100 -0.734 0.000 0.851 95 G HN 0.707 nan 8.290 nan 0.000 0.573 96 V N 2.685 122.418 119.914 -0.302 0.000 2.594 96 V HA -0.175 4.168 4.120 0.370 0.000 0.253 96 V C 2.893 178.909 176.094 -0.130 0.000 1.069 96 V CA 1.915 64.112 62.300 -0.173 0.000 1.082 96 V CB -0.336 31.404 31.823 -0.137 0.000 0.680 96 V HN 0.536 nan 8.190 nan 0.000 0.469 97 V N -0.600 119.239 119.914 -0.124 0.000 2.317 97 V HA -0.335 4.007 4.120 0.370 0.000 0.251 97 V C 2.211 178.208 176.094 -0.162 0.000 1.065 97 V CA 2.718 64.934 62.300 -0.140 0.000 1.049 97 V CB -1.043 30.701 31.823 -0.133 0.000 0.651 97 V HN 0.749 nan 8.190 nan 0.000 0.450 98 Y N 1.342 121.494 120.300 -0.247 0.000 2.483 98 Y HA -0.194 4.580 4.550 0.374 0.000 0.291 98 Y C 2.109 177.865 175.900 -0.241 0.000 1.143 98 Y CA 1.248 59.208 58.100 -0.233 0.000 1.289 98 Y CB -0.393 38.007 38.460 -0.100 0.000 0.983 98 Y HN 0.380 nan 8.280 nan 0.000 0.556 99 D N -1.056 119.212 120.400 -0.220 0.000 2.221 99 D HA -0.152 4.711 4.640 0.370 0.000 0.204 99 D C 2.021 177.998 176.300 -0.540 0.000 0.982 99 D CA 1.445 55.282 54.000 -0.271 0.000 0.857 99 D CB 0.036 40.737 40.800 -0.165 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 -0.649 0.000 2.806 100 V HA -0.078 4.264 4.120 0.370 0.000 0.239 100 V C 2.513 178.121 176.094 -0.811 0.000 1.113 100 V CA 1.336 63.003 62.300 -1.054 0.000 1.137 100 V CB -0.300 31.076 31.823 -0.746 0.000 0.865 100 V HN 0.230 nan 8.190 nan 0.000 0.482 101 T N -0.086 114.165 114.554 -0.504 0.000 2.881 101 T HA -0.197 4.376 4.350 0.370 0.000 0.270 101 T C 1.996 176.501 174.700 -0.325 0.000 1.068 101 T CA 1.727 63.643 62.100 -0.307 0.000 1.131 101 T CB -0.619 68.110 68.868 -0.232 0.000 0.871 101 T HN 0.577 nan 8.240 nan 0.000 0.479 102 S N 0.245 115.511 115.700 -0.724 0.000 2.419 102 S HA -0.147 4.545 4.470 0.370 0.000 0.235 102 S C 1.653 176.197 174.600 -0.092 0.000 1.019 102 S CA 0.731 58.470 58.200 -0.769 0.000 0.982 102 S CB -1.089 61.404 63.200 -1.179 0.000 0.789 102 S HN 0.680 nan 8.310 nan 0.000 0.490 103 W N 2.922 124.118 121.300 -0.173 0.000 2.364 103 W HA 0.042 4.923 4.660 0.369 0.000 0.281 103 W C 2.549 179.131 176.519 0.104 0.000 1.219 103 W CA 1.346 58.693 57.345 0.003 0.000 1.220 103 W CB -1.612 27.847 29.460 -0.003 0.000 1.127 103 W HN 0.638 nan 8.180 nan 0.000 0.556 104 T N -4.081 110.617 114.554 0.239 0.000 3.040 104 T HA 0.017 4.589 4.350 0.370 0.000 0.250 104 T C 0.570 175.346 174.700 0.127 0.000 1.058 104 T CA 0.136 62.338 62.100 0.171 0.000 0.988 104 T CB 0.020 68.933 68.868 0.075 0.000 0.993 104 T HN -0.211 nan 8.240 nan 0.000 0.519 105 D N 2.679 123.150 120.400 0.118 0.000 2.934 105 D HA 0.167 5.029 4.640 0.370 0.000 0.237 105 D C 0.949 177.293 176.300 0.072 0.000 1.158 105 D CA -0.244 53.834 54.000 0.131 0.000 0.971 105 D CB -0.081 40.856 40.800 0.228 0.000 1.123 105 D HN 0.401 nan 8.370 nan 0.000 0.467 106 V N -0.864 119.069 119.914 0.032 0.000 3.199 106 V HA 0.337 4.679 4.120 0.370 0.000 0.331 106 V C 0.493 176.558 176.094 -0.048 0.000 1.446 106 V CA -0.568 61.700 62.300 -0.055 0.000 1.120 106 V CB -0.687 31.021 31.823 -0.192 0.000 1.051 106 V HN 0.025 nan 8.190 nan 0.000 0.495 107 L N 0.604 121.825 121.223 -0.004 0.000 2.466 107 L HA 0.391 4.953 4.340 0.370 0.000 0.257 107 L C -0.899 175.892 176.870 -0.132 0.000 1.189 107 L CA -1.415 53.416 54.840 -0.016 0.000 0.813 107 L CB 0.423 42.523 42.059 0.068 0.000 1.118 107 L HN 0.033 nan 8.230 nan 0.000 0.471 108 P HA -0.168 nan 4.420 nan 0.000 0.215 108 P C 0.829 177.706 177.300 -0.706 0.000 1.153 108 P CA 1.187 63.932 63.100 -0.592 0.000 0.853 108 P CB 0.399 31.680 31.700 -0.698 0.000 0.788 109 E N -3.149 116.739 120.200 -0.519 0.000 2.684 109 E HA 0.140 4.712 4.350 0.370 0.000 0.204 109 E C 0.637 176.996 176.600 -0.403 0.000 0.900 109 E CA 0.049 56.169 56.400 -0.468 0.000 1.481 109 E CB -0.319 29.045 29.700 -0.561 0.000 1.468 109 E HN -0.113 nan 8.360 nan 0.000 0.778 110 F N 0.948 120.898 119.950 0.001 0.000 2.139 110 F HA 0.638 5.388 4.527 0.371 0.000 0.273 110 F C 1.548 177.392 175.800 0.073 0.000 1.058 110 F CA 0.451 58.460 58.000 0.015 0.000 1.149 110 F CB -0.369 38.595 39.000 -0.061 0.000 1.739 110 F HN 0.183 nan 8.300 nan 0.000 0.536 111 G N -1.138 107.899 108.800 0.395 0.000 2.756 111 G HA2 0.390 4.572 3.960 0.370 0.000 0.678 111 G HA3 0.390 4.572 3.960 0.370 0.000 0.678 111 G C 0.464 175.435 174.900 0.119 0.000 1.349 111 G CA -0.257 44.989 45.100 0.244 0.000 0.847 111 G HN 1.875 nan 8.290 nan 0.000 0.548 112 G N -0.854 107.972 108.800 0.044 0.000 2.179 112 G HA2 0.036 4.218 3.960 0.370 0.000 0.257 112 G HA3 0.036 4.218 3.960 0.370 0.000 0.257 112 G C 0.498 175.107 174.900 -0.484 0.000 1.010 112 G CA 1.376 46.438 45.100 -0.064 0.000 0.736 112 G HN 2.332 nan 8.290 nan 0.000 0.513 113 D N -0.785 119.422 120.400 -0.321 0.000 2.650 113 D HA 0.149 5.011 4.640 0.370 0.000 0.265 113 D C 1.463 177.626 176.300 -0.229 0.000 1.339 113 D CA 0.546 54.362 54.000 -0.306 0.000 0.816 113 D CB -0.684 40.077 40.800 -0.065 0.000 1.091 113 D HN 0.430 nan 8.370 nan 0.000 0.483 114 T N -2.228 112.175 114.554 -0.252 0.000 3.219 114 T HA 0.215 4.787 4.350 0.370 0.000 0.249 114 T C 0.265 175.028 174.700 0.106 0.000 1.099 114 T CA 0.024 62.102 62.100 -0.036 0.000 0.988 114 T CB -0.888 68.007 68.868 0.046 0.000 0.999 114 T HN 0.374 nan 8.240 nan 0.000 0.550 115 Y N -2.214 118.123 120.300 0.061 0.000 2.764 115 Y HA 0.778 5.549 4.550 0.369 0.000 0.331 115 Y C -1.449 174.486 175.900 0.058 0.000 1.280 115 Y CA -1.807 56.340 58.100 0.079 0.000 1.065 115 Y CB 0.668 39.189 38.460 0.100 0.000 1.319 115 Y HN -0.109 nan 8.280 nan 0.000 0.453 116 D N -0.105 120.452 120.400 0.262 0.000 2.531 116 D HA 0.400 5.262 4.640 0.370 0.000 0.244 116 D C -1.057 175.331 176.300 0.146 0.000 1.090 116 D CA -0.740 53.323 54.000 0.104 0.000 0.989 116 D CB 2.346 43.163 40.800 0.028 0.000 1.433 116 D HN 0.562 nan 8.370 nan 0.000 0.492 117 S N 0.378 116.092 115.700 0.024 0.000 2.572 117 S HA 0.034 4.726 4.470 0.370 0.000 0.279 117 S C 0.084 174.662 174.600 -0.037 0.000 1.341 117 S CA -0.115 58.066 58.200 -0.031 0.000 1.043 117 S CB 0.240 63.369 63.200 -0.118 0.000 0.887 117 S HN 0.445 nan 8.310 nan 0.000 0.516 118 D N 1.272 121.646 120.400 -0.044 0.000 2.689 118 D HA -0.194 4.668 4.640 0.370 0.000 0.237 118 D C -0.242 176.010 176.300 -0.080 0.000 1.148 118 D CA 0.644 54.600 54.000 -0.074 0.000 0.656 118 D CB -1.230 39.511 40.800 -0.099 0.000 1.050 118 D HN 0.716 nan 8.370 nan 0.000 0.426 119 N N 0.333 119.023 118.700 -0.016 0.000 2.813 119 N HA 0.238 5.201 4.740 0.370 0.000 0.282 119 N C 0.390 175.977 175.510 0.129 0.000 1.748 119 N CA -0.447 52.621 53.050 0.031 0.000 0.860 119 N CB 0.431 39.030 38.487 0.186 0.000 1.204 119 N HN -0.063 nan 8.380 nan 0.000 0.490 120 F N -0.060 119.963 119.950 0.121 0.000 2.169 120 F HA -0.406 4.346 4.527 0.374 0.000 0.314 120 F C 1.251 177.156 175.800 0.175 0.000 0.318 120 F CA 1.146 59.204 58.000 0.097 0.000 0.904 120 F CB -0.595 38.439 39.000 0.057 0.000 4.078 120 F HN 0.281 nan 8.300 nan 0.000 0.173 121 M N 0.271 120.103 119.600 0.387 0.000 2.549 121 M HA 0.138 4.840 4.480 0.370 0.000 0.273 121 M C 1.019 177.394 176.300 0.123 0.000 1.213 121 M CA 0.295 55.794 55.300 0.332 0.000 0.976 121 M CB 0.165 32.919 32.600 0.256 0.000 1.457 121 M HN 0.436 nan 8.290 nan 0.000 0.485 122 Q N 0.078 119.954 119.800 0.126 0.000 2.212 122 Q HA 0.056 4.618 4.340 0.370 0.000 0.199 122 Q C 1.382 177.323 176.000 -0.099 0.000 0.950 122 Q CA 0.889 56.678 55.803 -0.023 0.000 0.863 122 Q CB 0.643 29.398 28.738 0.027 0.000 0.944 122 Q HN 0.542 nan 8.270 nan 0.000 0.465 123 Q N -0.746 119.062 119.800 0.014 0.000 2.860 123 Q HA 0.281 4.843 4.340 0.370 0.000 0.401 123 Q C -0.835 175.111 176.000 -0.089 0.000 0.669 123 Q CA -0.615 55.156 55.803 -0.055 0.000 0.916 123 Q CB 1.116 29.888 28.738 0.058 0.000 1.310 123 Q HN 0.011 nan 8.270 nan 0.000 0.394 124 R N -0.418 119.928 120.500 -0.257 0.000 2.643 124 R HA 0.494 5.056 4.340 0.370 0.000 0.270 124 R C -0.018 176.286 176.300 0.007 0.000 1.061 124 R CA 0.688 56.605 56.100 -0.306 0.000 1.107 124 R CB 0.511 30.539 30.300 -0.454 0.000 0.999 124 R HN 0.629 nan 8.270 nan 0.000 0.460 125 G N 1.040 109.922 108.800 0.135 0.000 2.523 125 G HA2 0.149 4.331 3.960 0.370 0.000 0.291 125 G HA3 0.149 4.331 3.960 0.370 0.000 0.291 125 G C -1.576 173.171 174.900 -0.255 0.000 1.450 125 G CA -1.014 44.061 45.100 -0.041 0.000 0.790 125 G HN 0.596 nan 8.290 nan 0.000 0.496 126 N N -0.320 118.166 118.700 -0.356 0.000 2.518 126 N HA 0.472 5.434 4.740 0.370 0.000 0.283 126 N C 0.833 176.049 175.510 -0.489 0.000 1.119 126 N CA 0.654 53.512 53.050 -0.321 0.000 0.983 126 N CB 1.426 39.804 38.487 -0.181 0.000 1.139 126 N HN 1.570 nan 8.380 nan 0.000 0.465 127 G N 0.921 109.481 108.800 -0.399 0.000 2.256 127 G HA2 -0.260 3.922 3.960 0.370 0.000 0.272 127 G HA3 -0.260 3.922 3.960 0.370 0.000 0.272 127 G C -0.720 174.036 174.900 -0.239 0.000 1.076 127 G CA -0.462 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 0.751 120.598 119.950 -0.172 0.000 2.424 128 F HA 0.617 5.365 4.527 0.368 0.000 0.356 128 F C 0.789 176.607 175.800 0.029 0.000 1.110 128 F CA -0.522 57.455 58.000 -0.039 0.000 1.161 128 F CB 1.699 40.644 39.000 -0.091 0.000 1.115 128 F HN 0.403 nan 8.300 nan 0.000 0.507 129 A N 3.056 126.157 122.820 0.468 0.000 2.253 129 A HA 0.669 5.212 4.320 0.370 0.000 0.316 129 A C -0.346 177.422 177.584 0.306 0.000 1.327 129 A CA -0.401 51.897 52.037 0.435 0.000 0.917 129 A CB 0.008 19.400 19.000 0.653 0.000 1.162 129 A HN 0.677 nan 8.150 nan 0.000 0.535 130 T N 2.464 117.017 114.554 -0.001 0.000 2.809 130 T HA 0.423 4.995 4.350 0.370 0.000 0.284 130 T C -0.977 173.785 174.700 0.103 0.000 0.992 130 T CA -0.126 61.993 62.100 0.032 0.000 0.957 130 T CB 0.659 69.453 68.868 -0.124 0.000 0.942 130 T HN 0.512 nan 8.240 nan 0.000 0.439 131 Y N 3.402 123.797 120.300 0.160 0.000 2.342 131 Y HA 0.650 5.422 4.550 0.371 0.000 0.334 131 Y C -0.041 175.854 175.900 -0.009 0.000 1.067 131 Y CA -0.922 57.279 58.100 0.169 0.000 1.128 131 Y CB 0.841 39.442 38.460 0.236 0.000 1.200 131 Y HN 0.521 nan 8.280 nan 0.000 0.464 132 R N 4.391 124.355 120.500 -0.893 0.000 2.686 132 R HA 0.334 4.897 4.340 0.370 0.000 0.283 132 R C -1.625 174.028 176.300 -1.077 0.000 0.978 132 R CA -1.155 54.495 56.100 -0.750 0.000 0.897 132 R CB 1.788 31.847 30.300 -0.401 0.000 1.192 132 R HN 0.629 nan 8.270 nan 0.000 0.457 133 N N 1.398 119.527 118.700 -0.952 0.000 2.352 133 N HA 0.226 5.188 4.740 0.370 0.000 0.291 133 N C -1.549 173.655 175.510 -0.511 0.000 1.040 133 N CA -0.244 52.291 53.050 -0.859 0.000 0.864 133 N CB 2.178 39.931 38.487 -1.223 0.000 1.440 133 N HN 0.650 nan 8.380 nan 0.000 0.483 134 T N 0.114 114.482 114.554 -0.311 0.000 2.797 134 T HA 0.390 4.963 4.350 0.370 0.000 0.279 134 T C -0.266 174.415 174.700 -0.031 0.000 0.991 134 T CA -0.439 61.583 62.100 -0.129 0.000 0.979 134 T CB 1.000 69.798 68.868 -0.116 0.000 0.943 134 T HN 0.479 nan 8.240 nan 0.000 0.444 135 D N 0.662 121.113 120.400 0.085 0.000 2.945 135 D HA -0.207 4.655 4.640 0.370 0.000 0.225 135 D C 0.051 176.529 176.300 0.297 0.000 1.158 135 D CA 0.897 55.000 54.000 0.173 0.000 0.805 135 D CB -1.784 39.083 40.800 0.112 0.000 1.098 135 D HN 0.885 nan 8.370 nan 0.000 0.426 136 F N -0.098 119.937 119.950 0.141 0.000 2.384 136 F HA -0.330 4.419 4.527 0.370 0.000 0.199 136 F C 0.378 176.385 175.800 0.346 0.000 1.027 136 F CA 0.930 59.091 58.000 0.268 0.000 0.870 136 F CB -1.552 37.665 39.000 0.360 0.000 0.895 136 F HN 0.162 nan 8.300 nan 0.000 0.818 137 F N 1.133 121.067 119.950 -0.027 0.000 3.100 137 F HA -0.239 4.511 4.527 0.371 0.000 0.284 137 F C 1.590 177.427 175.800 0.061 0.000 0.875 137 F CA 1.471 59.456 58.000 -0.024 0.000 1.039 137 F CB -1.530 37.397 39.000 -0.121 0.000 1.111 137 F HN 1.152 nan 8.300 nan 0.000 0.575 138 G N -0.750 108.164 108.800 0.191 0.000 2.162 138 G HA2 -0.341 3.841 3.960 0.370 0.000 0.260 138 G HA3 -0.341 3.841 3.960 0.370 0.000 0.260 138 G C 0.801 175.821 174.900 0.200 0.000 0.976 138 G CA 0.365 45.562 45.100 0.162 0.000 0.655 138 G HN 0.546 nan 8.290 nan 0.000 0.533 139 L N -0.819 120.580 121.223 0.295 0.000 2.408 139 L HA 0.303 4.865 4.340 0.370 0.000 0.215 139 L C 0.637 177.660 176.870 0.254 0.000 1.081 139 L CA 0.565 55.578 54.840 0.287 0.000 0.840 139 L CB 0.472 42.766 42.059 0.391 0.000 1.002 139 L HN 0.122 nan 8.230 nan 0.000 0.468 140 V N 0.261 120.354 119.914 0.298 0.000 2.385 140 V HA 0.216 4.558 4.120 0.370 0.000 0.277 140 V C -0.928 175.317 176.094 0.252 0.000 1.012 140 V CA -0.990 61.453 62.300 0.237 0.000 0.832 140 V CB 1.266 33.200 31.823 0.186 0.000 1.028 140 V HN 0.040 nan 8.190 nan 0.000 0.436 141 D N 3.964 124.490 120.400 0.211 0.000 2.472 141 D HA 0.347 5.210 4.640 0.370 0.000 0.248 141 D C 1.300 177.716 176.300 0.194 0.000 1.174 141 D CA 1.885 55.991 54.000 0.176 0.000 0.883 141 D CB 1.396 42.282 40.800 0.144 0.000 1.149 141 D HN 0.966 nan 8.370 nan 0.000 0.488 142 G N 1.880 110.758 108.800 0.129 0.000 2.194 142 G HA2 -0.265 3.917 3.960 0.370 0.000 0.236 142 G HA3 -0.265 3.917 3.960 0.370 0.000 0.236 142 G C 0.127 175.130 174.900 0.172 0.000 0.987 142 G CA -0.238 44.885 45.100 0.039 0.000 0.635 142 G HN 0.470 nan 8.290 nan 0.000 0.520 143 L N 2.543 123.964 121.223 0.329 0.000 2.268 143 L HA 0.699 5.261 4.340 0.370 0.000 0.289 143 L C -0.925 176.147 176.870 0.336 0.000 1.064 143 L CA -0.987 54.092 54.840 0.399 0.000 0.824 143 L CB 0.850 43.130 42.059 0.367 0.000 1.202 143 L HN 0.112 nan 8.230 nan 0.000 0.433 144 D N 5.060 125.634 120.400 0.291 0.000 2.342 144 D HA 0.648 5.510 4.640 0.370 0.000 0.243 144 D C -0.768 175.726 176.300 0.323 0.000 1.019 144 D CA 0.241 54.365 54.000 0.207 0.000 0.864 144 D CB 1.819 42.675 40.800 0.094 0.000 1.315 144 D HN 0.312 nan 8.370 nan 0.000 0.468 145 F N -1.039 118.971 119.950 0.100 0.000 2.686 145 F HA 0.840 5.590 4.527 0.371 0.000 0.311 145 F C -1.888 173.958 175.800 0.076 0.000 1.128 145 F CA -1.205 56.858 58.000 0.105 0.000 0.946 145 F CB 1.297 40.400 39.000 0.171 0.000 1.336 145 F HN 0.374 nan 8.300 nan 0.000 0.457 146 A N 1.664 124.622 122.820 0.231 0.000 2.455 146 A HA 0.773 5.315 4.320 0.370 0.000 0.300 146 A C -2.083 175.644 177.584 0.237 0.000 1.040 146 A CA -0.826 51.280 52.037 0.116 0.000 0.697 146 A CB 1.664 20.663 19.000 -0.002 0.000 1.265 146 A HN 0.944 nan 8.150 nan 0.000 0.407 147 V N 1.952 122.027 119.914 0.268 0.000 2.495 147 V HA 0.651 4.993 4.120 0.370 0.000 0.298 147 V C -0.134 175.998 176.094 0.062 0.000 1.031 147 V CA -0.372 62.014 62.300 0.143 0.000 0.871 147 V CB 1.562 33.491 31.823 0.178 0.000 0.988 147 V HN 0.958 nan 8.190 nan 0.000 0.432 148 Q N 2.798 122.526 119.800 -0.121 0.000 2.331 148 Q HA 0.580 5.142 4.340 0.370 0.000 0.272 148 Q C -2.179 173.692 176.000 -0.216 0.000 1.062 148 Q CA -0.638 55.131 55.803 -0.056 0.000 0.806 148 Q CB 2.532 31.248 28.738 -0.037 0.000 1.312 148 Q HN 0.724 nan 8.270 nan 0.000 0.431 149 Y N 1.028 121.472 120.300 0.240 0.000 2.393 149 Y HA 0.370 5.141 4.550 0.369 0.000 0.341 149 Y C -0.373 175.700 175.900 0.288 0.000 0.988 149 Y CA -0.719 57.519 58.100 0.230 0.000 1.078 149 Y CB 2.082 40.663 38.460 0.202 0.000 1.203 149 Y HN 0.496 nan 8.280 nan 0.000 0.453 150 Q N 1.950 121.967 119.800 0.362 0.000 2.325 150 Q HA 0.586 5.148 4.340 0.370 0.000 0.270 150 Q C -0.372 175.709 176.000 0.136 0.000 1.020 150 Q CA -0.805 55.111 55.803 0.188 0.000 0.785 150 Q CB 1.550 30.324 28.738 0.060 0.000 1.259 150 Q HN 0.982 nan 8.270 nan 0.000 0.452 151 G N 2.930 111.795 108.800 0.107 0.000 2.467 151 G HA2 0.095 4.277 3.960 0.370 0.000 0.257 151 G HA3 0.095 4.277 3.960 0.370 0.000 0.257 151 G C -0.619 174.305 174.900 0.039 0.000 1.227 151 G CA -0.486 44.671 45.100 0.094 0.000 0.835 151 G HN 0.737 nan 8.290 nan 0.000 0.556 152 K N 1.273 121.702 120.400 0.049 0.000 2.513 152 K HA -0.088 4.454 4.320 0.370 0.000 0.275 152 K C -0.462 176.143 176.600 0.008 0.000 1.025 152 K CA 0.480 56.787 56.287 0.034 0.000 1.125 152 K CB 0.036 32.560 32.500 0.041 0.000 0.843 152 K HN 0.447 nan 8.250 nan 0.000 0.486 153 N N 3.179 121.871 118.700 -0.014 0.000 2.518 153 N HA 0.230 5.192 4.740 0.370 0.000 0.254 153 N C -0.225 175.274 175.510 -0.018 0.000 0.979 153 N CA -0.346 52.685 53.050 -0.031 0.000 0.930 153 N CB 1.940 40.384 38.487 -0.072 0.000 1.152 153 N HN 0.749 nan 8.380 nan 0.000 0.505 154 G N 0.333 109.129 108.800 -0.006 0.000 2.890 154 G HA2 0.427 4.610 3.960 0.370 0.000 0.189 154 G HA3 0.427 4.610 3.960 0.370 0.000 0.189 154 G C -0.133 174.769 174.900 0.005 0.000 1.342 154 G CA -0.353 44.754 45.100 0.012 0.000 1.026 154 G HN 0.413 nan 8.290 nan 0.000 0.579 155 S N -1.019 114.692 115.700 0.019 0.000 2.632 155 S HA 0.506 5.198 4.470 0.370 0.000 0.267 155 S C 1.246 175.815 174.600 -0.051 0.000 1.276 155 S CA 0.216 58.424 58.200 0.013 0.000 0.998 155 S CB 1.574 64.811 63.200 0.061 0.000 0.953 155 S HN 1.176 nan 8.310 nan 0.000 0.547 156 A N 0.011 122.766 122.820 -0.109 0.000 2.119 156 A HA 0.169 4.712 4.320 0.370 0.000 0.216 156 A C 0.636 177.847 177.584 -0.622 0.000 1.152 156 A CA 0.531 52.357 52.037 -0.351 0.000 0.708 156 A CB -0.503 18.251 19.000 -0.409 0.000 0.805 156 A HN 0.844 nan 8.150 nan 0.000 0.460 157 H N -2.363 116.719 119.070 0.020 0.000 2.930 157 H HA 0.469 5.248 4.556 0.370 0.000 0.371 157 H C 0.763 176.096 175.328 0.008 0.000 1.169 157 H CA -0.187 55.869 56.048 0.013 0.000 1.157 157 H CB 1.066 30.838 29.762 0.015 0.000 1.789 157 H HN 0.585 nan 8.280 nan 0.000 0.547 158 G N 2.107 110.976 108.800 0.115 0.000 2.539 158 G HA2 -0.262 3.921 3.960 0.370 0.000 0.256 158 G HA3 -0.262 3.921 3.960 0.370 0.000 0.256 158 G C -0.335 174.561 174.900 -0.008 0.000 1.233 158 G CA -0.147 44.976 45.100 0.039 0.000 0.936 158 G HN 0.645 nan 8.290 nan 0.000 0.571 159 E N 1.167 121.330 120.200 -0.063 0.000 2.413 159 E HA 0.390 4.962 4.350 0.370 0.000 0.263 159 E C 1.193 177.770 176.600 -0.038 0.000 1.015 159 E CA 1.167 57.503 56.400 -0.106 0.000 0.916 159 E CB 0.311 29.851 29.700 -0.266 0.000 0.947 159 E HN 2.207 nan 8.360 nan 0.000 0.440 160 G N 2.878 111.665 108.800 -0.022 0.000 2.143 160 G HA2 -0.354 3.829 3.960 0.370 0.000 0.248 160 G HA3 -0.354 3.829 3.960 0.370 0.000 0.248 160 G C 0.211 175.124 174.900 0.022 0.000 0.991 160 G CA 0.315 45.429 45.100 0.024 0.000 0.689 160 G HN 0.514 nan 8.290 nan 0.000 0.522 161 M N 2.133 121.735 119.600 0.003 0.000 2.239 161 M HA 0.492 5.194 4.480 0.370 0.000 0.348 161 M C 0.986 177.280 176.300 -0.010 0.000 1.239 161 M CA 0.948 56.242 55.300 -0.010 0.000 1.114 161 M CB 0.516 33.105 32.600 -0.018 0.000 1.641 161 M HN 0.545 nan 8.290 nan 0.000 0.453 162 T N 0.195 114.739 114.554 -0.017 0.000 2.930 162 T HA 0.270 4.843 4.350 0.370 0.000 0.290 162 T C 0.696 175.382 174.700 -0.024 0.000 1.052 162 T CA -0.459 61.634 62.100 -0.012 0.000 1.017 162 T CB 1.543 70.408 68.868 -0.004 0.000 1.137 162 T HN 0.720 nan 8.240 nan 0.000 0.511 163 T N 0.888 115.435 114.554 -0.012 0.000 2.803 163 T HA -0.129 4.444 4.350 0.370 0.000 0.269 163 T C 1.214 175.904 174.700 -0.017 0.000 1.052 163 T CA 1.803 63.896 62.100 -0.013 0.000 1.136 163 T CB -0.858 68.012 68.868 0.003 0.000 0.864 163 T HN 0.793 nan 8.240 nan 0.000 0.467 164 N N 0.684 119.376 118.700 -0.013 0.000 2.453 164 N HA 0.241 5.203 4.740 0.370 0.000 0.270 164 N C 0.477 175.968 175.510 -0.031 0.000 1.195 164 N CA -0.265 52.775 53.050 -0.016 0.000 0.902 164 N CB -0.355 38.129 38.487 -0.005 0.000 1.186 164 N HN 0.320 nan 8.380 nan 0.000 0.510 165 G N 1.191 109.963 108.800 -0.047 0.000 2.554 165 G HA2 0.272 4.454 3.960 0.370 0.000 0.238 165 G HA3 0.272 4.454 3.960 0.370 0.000 0.238 165 G C 0.089 174.957 174.900 -0.054 0.000 1.259 165 G CA -0.434 44.633 45.100 -0.054 0.000 0.843 165 G HN 0.530 nan 8.290 nan 0.000 0.582 166 R N 1.307 121.786 120.500 -0.035 0.000 2.621 166 R HA 0.342 4.904 4.340 0.370 0.000 0.284 166 R C -1.118 175.182 176.300 0.001 0.000 0.998 166 R CA -0.947 55.140 56.100 -0.022 0.000 0.895 166 R CB 1.477 31.764 30.300 -0.023 0.000 1.195 166 R HN 0.345 nan 8.270 nan 0.000 0.450 167 D N 0.220 120.632 120.400 0.019 0.000 2.323 167 D HA -0.063 4.799 4.640 0.370 0.000 0.209 167 D C -0.355 175.969 176.300 0.039 0.000 0.973 167 D CA 0.940 54.968 54.000 0.047 0.000 0.874 167 D CB 0.241 41.089 40.800 0.080 0.000 0.930 167 D HN 0.517 nan 8.370 nan 0.000 0.521 168 D N 0.856 121.274 120.400 0.030 0.000 2.342 168 D HA -0.028 4.834 4.640 0.370 0.000 0.260 168 D C 1.398 177.718 176.300 0.033 0.000 1.278 168 D CA -0.117 53.909 54.000 0.044 0.000 0.910 168 D CB 1.278 42.110 40.800 0.052 0.000 1.079 168 D HN -0.228 nan 8.370 nan 0.000 0.496 169 V N 4.478 124.384 119.914 -0.014 0.000 2.469 169 V HA -0.266 4.076 4.120 0.370 0.000 0.251 169 V C 1.753 177.831 176.094 -0.028 0.000 1.064 169 V CA 1.417 63.683 62.300 -0.056 0.000 1.066 169 V CB -0.601 31.126 31.823 -0.160 0.000 0.667 169 V HN 0.549 nan 8.190 nan 0.000 0.461 170 F N 0.147 120.142 119.950 0.075 0.000 2.604 170 F HA -0.024 4.725 4.527 0.369 0.000 0.298 170 F C 2.089 177.887 175.800 -0.003 0.000 1.131 170 F CA 0.952 58.995 58.000 0.070 0.000 1.457 170 F CB -0.204 38.723 39.000 -0.121 0.000 1.095 170 F HN 0.267 nan 8.300 nan 0.000 0.574 171 E N -0.835 119.417 120.200 0.087 0.000 2.501 171 E HA 0.078 4.651 4.350 0.370 0.000 0.201 171 E C 0.407 176.951 176.600 -0.093 0.000 1.016 171 E CA -0.112 56.271 56.400 -0.029 0.000 0.920 171 E CB 0.265 29.948 29.700 -0.028 0.000 1.023 171 E HN 0.433 nan 8.360 nan 0.000 0.474 172 Q N 1.383 121.129 119.800 -0.089 0.000 2.212 172 Q HA 0.319 4.881 4.340 0.370 0.000 0.238 172 Q C -0.147 175.743 176.000 -0.183 0.000 0.955 172 Q CA -0.488 55.261 55.803 -0.089 0.000 0.906 172 Q CB 1.102 29.831 28.738 -0.015 0.000 1.215 172 Q HN 0.128 nan 8.270 nan 0.000 0.478 173 N N -1.234 117.421 118.700 -0.075 0.000 2.859 173 N HA 0.322 5.284 4.740 0.370 0.000 0.250 173 N C -0.980 174.582 175.510 0.086 0.000 1.341 173 N CA -0.601 52.469 53.050 0.034 0.000 0.881 173 N CB 1.043 39.536 38.487 0.010 0.000 1.516 173 N HN 0.620 nan 8.380 nan 0.000 0.503 174 G N -0.267 108.620 108.800 0.145 0.000 2.532 174 G HA2 0.261 4.444 3.960 0.370 0.000 0.291 174 G HA3 0.261 4.444 3.960 0.370 0.000 0.291 174 G C -0.533 174.427 174.900 0.101 0.000 1.349 174 G CA -0.350 44.810 45.100 0.099 0.000 1.038 174 G HN 0.607 nan 8.290 nan 0.000 0.518 175 D N -0.240 120.212 120.400 0.088 0.000 2.488 175 D HA 0.422 5.285 4.640 0.370 0.000 0.238 175 D C 0.595 176.964 176.300 0.116 0.000 1.138 175 D CA 0.923 54.986 54.000 0.105 0.000 0.873 175 D CB 1.200 42.058 40.800 0.097 0.000 1.183 175 D HN 0.546 nan 8.370 nan 0.000 0.458 176 G N -0.230 108.659 108.800 0.148 0.000 2.660 176 G HA2 0.617 4.799 3.960 0.370 0.000 0.294 176 G HA3 0.617 4.799 3.960 0.370 0.000 0.294 176 G C -1.314 173.673 174.900 0.145 0.000 1.369 176 G CA -0.540 44.639 45.100 0.132 0.000 0.912 176 G HN 0.333 nan 8.290 nan 0.000 0.479 177 V N -0.573 119.379 119.914 0.063 0.000 2.888 177 V HA 0.972 5.314 4.120 0.370 0.000 0.309 177 V C 0.375 176.428 176.094 -0.067 0.000 1.114 177 V CA -0.093 62.183 62.300 -0.040 0.000 0.940 177 V CB 1.762 33.560 31.823 -0.042 0.000 1.021 177 V HN 1.426 nan 8.190 nan 0.000 0.426 178 G N 0.749 109.476 108.800 -0.121 0.000 2.677 178 G HA2 0.817 4.999 3.960 0.370 0.000 0.291 178 G HA3 0.817 4.999 3.960 0.370 0.000 0.291 178 G C -0.831 174.019 174.900 -0.084 0.000 1.435 178 G CA -0.093 44.954 45.100 -0.089 0.000 0.826 178 G HN 1.190 nan 8.290 nan 0.000 0.491 179 G N -1.015 107.758 108.800 -0.045 0.000 2.690 179 G HA2 0.835 5.017 3.960 0.370 0.000 0.291 179 G HA3 0.835 5.017 3.960 0.370 0.000 0.291 179 G C -0.725 174.185 174.900 0.016 0.000 1.403 179 G CA 0.245 45.352 45.100 0.012 0.000 0.864 179 G HN 1.722 nan 8.290 nan 0.000 0.480 180 S N -0.618 115.123 115.700 0.068 0.000 2.541 180 S HA 0.804 5.496 4.470 0.370 0.000 0.271 180 S C -1.059 173.624 174.600 0.138 0.000 1.133 180 S CA -0.807 57.421 58.200 0.048 0.000 0.876 180 S CB 1.722 64.910 63.200 -0.019 0.000 1.105 180 S HN 0.784 nan 8.310 nan 0.000 0.470 181 I N 1.963 122.601 120.570 0.113 0.000 2.619 181 I HA 0.633 5.026 4.170 0.370 0.000 0.292 181 I C -0.754 175.461 176.117 0.163 0.000 1.100 181 I CA -0.700 60.708 61.300 0.180 0.000 1.043 181 I CB 2.477 40.561 38.000 0.140 0.000 1.239 181 I HN 0.957 nan 8.210 nan 0.000 0.420 182 T N 1.383 116.077 114.554 0.234 0.000 2.952 182 T HA 0.550 5.122 4.350 0.370 0.000 0.305 182 T C -1.489 173.421 174.700 0.350 0.000 1.064 182 T CA -0.769 61.511 62.100 0.300 0.000 1.008 182 T CB 2.109 71.182 68.868 0.341 0.000 1.078 182 T HN 0.474 nan 8.240 nan 0.000 0.459 183 Y N 2.446 122.881 120.300 0.225 0.000 2.338 183 Y HA 0.591 5.363 4.550 0.370 0.000 0.333 183 Y C -1.055 174.948 175.900 0.171 0.000 0.968 183 Y CA -1.219 56.984 58.100 0.171 0.000 1.123 183 Y CB 1.664 40.200 38.460 0.126 0.000 1.165 183 Y HN 0.798 nan 8.280 nan 0.000 0.452 184 N N 5.512 123.918 118.700 -0.490 0.000 2.354 184 N HA 0.237 5.199 4.740 0.370 0.000 0.287 184 N C -2.211 173.004 175.510 -0.492 0.000 1.016 184 N CA -0.459 52.370 53.050 -0.369 0.000 0.871 184 N CB 2.199 40.555 38.487 -0.218 0.000 1.299 184 N HN 0.672 nan 8.380 nan 0.000 0.482 185 Y N 1.519 121.583 120.300 -0.393 0.000 2.361 185 Y HA 0.114 4.886 4.550 0.370 0.000 0.328 185 Y C -0.092 175.816 175.900 0.014 0.000 1.044 185 Y CA -0.508 57.469 58.100 -0.206 0.000 1.085 185 Y CB 0.824 39.218 38.460 -0.111 0.000 1.194 185 Y HN 0.509 nan 8.280 nan 0.000 0.438 186 E N 4.351 124.242 120.200 -0.515 0.000 2.328 186 E HA -0.277 4.295 4.350 0.370 0.000 0.233 186 E C 1.074 177.564 176.600 -0.183 0.000 1.219 186 E CA 1.611 57.789 56.400 -0.370 0.000 0.717 186 E CB -1.305 28.146 29.700 -0.416 0.000 1.210 186 E HN 1.319 nan 8.360 nan 0.000 0.381 187 G N -1.225 107.408 108.800 -0.279 0.000 2.241 187 G HA2 -0.343 3.839 3.960 0.370 0.000 0.244 187 G HA3 -0.343 3.839 3.960 0.370 0.000 0.244 187 G C 0.141 174.720 174.900 -0.536 0.000 0.998 187 G CA 0.201 44.995 45.100 -0.510 0.000 0.621 187 G HN 0.230 nan 8.290 nan 0.000 0.519 188 F N 1.478 121.359 119.950 -0.116 0.000 2.384 188 F HA 0.591 5.340 4.527 0.371 0.000 0.338 188 F C 1.035 176.765 175.800 -0.117 0.000 1.103 188 F CA 0.399 58.391 58.000 -0.015 0.000 1.157 188 F CB 1.868 40.937 39.000 0.116 0.000 1.167 188 F HN 0.282 nan 8.300 nan 0.000 0.529 189 G N 3.624 112.443 108.800 0.032 0.000 2.687 189 G HA2 0.703 4.885 3.960 0.370 0.000 0.301 189 G HA3 0.703 4.885 3.960 0.370 0.000 0.301 189 G C -1.441 173.560 174.900 0.169 0.000 1.416 189 G CA -0.575 44.469 45.100 -0.094 0.000 1.005 189 G HN 0.553 nan 8.290 nan 0.000 0.509 190 I N 1.002 121.785 120.570 0.355 0.000 2.646 190 I HA 0.871 5.263 4.170 0.370 0.000 0.299 190 I C 0.432 176.851 176.117 0.503 0.000 1.036 190 I CA -0.943 60.614 61.300 0.428 0.000 1.074 190 I CB 2.713 40.893 38.000 0.299 0.000 1.258 190 I HN 0.703 nan 8.210 nan 0.000 0.430 191 G N 2.838 111.836 108.800 0.331 0.000 2.632 191 G HA2 0.784 4.966 3.960 0.370 0.000 0.292 191 G HA3 0.784 4.966 3.960 0.370 0.000 0.292 191 G C -2.165 172.725 174.900 -0.016 0.000 1.465 191 G CA -0.521 44.642 45.100 0.104 0.000 0.824 191 G HN 0.878 nan 8.290 nan 0.000 0.509 192 A N -0.724 122.080 122.820 -0.027 0.000 2.549 192 A HA 1.074 5.616 4.320 0.370 0.000 0.297 192 A C -0.475 177.089 177.584 -0.035 0.000 1.061 192 A CA 0.015 52.044 52.037 -0.012 0.000 0.690 192 A CB 1.729 20.756 19.000 0.045 0.000 1.287 192 A HN 2.505 nan 8.150 nan 0.000 0.402 193 A N 0.664 123.462 122.820 -0.036 0.000 2.520 193 A HA 0.758 5.300 4.320 0.370 0.000 0.298 193 A C -1.379 176.180 177.584 -0.041 0.000 1.051 193 A CA -0.454 51.551 52.037 -0.053 0.000 0.690 193 A CB 1.458 20.388 19.000 -0.116 0.000 1.281 193 A HN 1.638 nan 8.150 nan 0.000 0.402 194 V N 1.414 121.291 119.914 -0.062 0.000 2.789 194 V HA 0.857 5.199 4.120 0.370 0.000 0.311 194 V C 0.000 175.996 176.094 -0.163 0.000 1.073 194 V CA -0.130 62.085 62.300 -0.141 0.000 0.921 194 V CB 2.063 33.846 31.823 -0.067 0.000 1.009 194 V HN 1.439 nan 8.190 nan 0.000 0.426 195 S N 1.645 117.197 115.700 -0.246 0.000 2.588 195 S HA 0.852 5.545 4.470 0.370 0.000 0.275 195 S C -0.836 173.637 174.600 -0.213 0.000 1.130 195 S CA -0.712 57.388 58.200 -0.167 0.000 0.855 195 S CB 2.098 65.241 63.200 -0.095 0.000 1.116 195 S HN 0.940 nan 8.310 nan 0.000 0.472 196 S N 0.988 116.610 115.700 -0.130 0.000 2.750 196 S HA 0.664 5.356 4.470 0.370 0.000 0.276 196 S C -1.396 173.160 174.600 -0.073 0.000 1.165 196 S CA -0.419 57.703 58.200 -0.129 0.000 1.047 196 S CB 0.798 63.939 63.200 -0.098 0.000 1.056 196 S HN 0.785 nan 8.310 nan 0.000 0.481 197 S N 3.741 119.367 115.700 -0.124 0.000 2.500 197 S HA 0.470 5.163 4.470 0.370 0.000 0.301 197 S C -0.544 173.991 174.600 -0.108 0.000 1.092 197 S CA -0.834 57.335 58.200 -0.052 0.000 1.030 197 S CB 1.588 64.823 63.200 0.058 0.000 1.031 197 S HN 0.741 nan 8.310 nan 0.000 0.483 198 K N 1.753 122.143 120.400 -0.016 0.000 2.382 198 K HA 0.209 4.751 4.320 0.370 0.000 0.275 198 K C -0.142 176.463 176.600 0.008 0.000 1.009 198 K CA -0.060 56.217 56.287 -0.017 0.000 0.970 198 K CB 0.495 33.010 32.500 0.024 0.000 0.934 198 K HN 0.499 nan 8.250 nan 0.000 0.479 199 R N 1.054 121.530 120.500 -0.039 0.000 2.457 199 R HA 0.142 4.704 4.340 0.370 0.000 0.284 199 R C 0.072 176.389 176.300 0.028 0.000 1.024 199 R CA -0.466 55.625 56.100 -0.014 0.000 1.025 199 R CB 1.366 31.569 30.300 -0.162 0.000 1.063 199 R HN 0.727 nan 8.270 nan 0.000 0.493 200 T N -2.103 112.483 114.554 0.054 0.000 2.816 200 T HA 0.038 4.610 4.350 0.370 0.000 0.282 200 T C 0.875 175.642 174.700 0.113 0.000 0.993 200 T CA -0.691 61.467 62.100 0.096 0.000 0.994 200 T CB 0.811 69.740 68.868 0.102 0.000 1.025 200 T HN 0.765 nan 8.240 nan 0.000 0.529 201 W N 0.899 122.203 121.300 0.006 0.000 2.355 201 W HA -0.049 4.833 4.660 0.369 0.000 0.309 201 W C 1.685 178.214 176.519 0.017 0.000 1.206 201 W CA 1.711 59.061 57.345 0.009 0.000 1.284 201 W CB -0.436 29.032 29.460 0.012 0.000 1.145 201 W HN 0.833 nan 8.180 nan 0.000 0.502 202 D N -0.374 120.181 120.400 0.258 0.000 2.123 202 D HA -0.250 4.612 4.640 0.370 0.000 0.196 202 D C 2.079 178.367 176.300 -0.020 0.000 0.992 202 D CA 1.777 55.853 54.000 0.127 0.000 0.833 202 D CB -0.569 40.325 40.800 0.157 0.000 0.954 202 D HN 0.345 nan 8.370 nan 0.000 0.455 203 Q N -0.411 119.391 119.800 0.003 0.000 2.167 203 Q HA -0.048 4.514 4.340 0.370 0.000 0.202 203 Q C 1.139 177.110 176.000 -0.048 0.000 0.970 203 Q CA 0.771 56.587 55.803 0.023 0.000 0.855 203 Q CB 0.121 28.803 28.738 -0.093 0.000 0.911 203 Q HN 0.227 nan 8.270 nan 0.000 0.438 204 N N -0.143 118.451 118.700 -0.177 0.000 2.280 204 N HA 0.034 4.996 4.740 0.370 0.000 0.192 204 N C 0.062 175.372 175.510 -0.334 0.000 1.109 204 N CA 0.383 53.300 53.050 -0.222 0.000 0.855 204 N CB 0.534 38.881 38.487 -0.233 0.000 0.974 204 N HN 0.190 nan 8.380 nan 0.000 0.482 205 N N -0.326 118.098 118.700 -0.460 0.000 2.387 205 N HA 0.054 5.017 4.740 0.370 0.000 0.259 205 N C -0.060 175.251 175.510 -0.331 0.000 1.369 205 N CA 0.232 52.920 53.050 -0.603 0.000 0.867 205 N CB 1.043 38.615 38.487 -1.524 0.000 1.341 205 N HN 0.120 nan 8.380 nan 0.000 0.495 206 T N -3.251 111.205 114.554 -0.163 0.000 3.228 206 T HA 0.318 4.890 4.350 0.370 0.000 0.278 206 T C 1.137 175.816 174.700 -0.036 0.000 1.014 206 T CA 0.126 62.184 62.100 -0.070 0.000 0.904 206 T CB 0.374 69.218 68.868 -0.040 0.000 1.110 206 T HN 0.178 nan 8.240 nan 0.000 0.541 207 G N 1.558 110.335 108.800 -0.038 0.000 2.160 207 G HA2 -0.227 3.955 3.960 0.370 0.000 0.251 207 G HA3 -0.227 3.955 3.960 0.370 0.000 0.251 207 G C -0.065 174.853 174.900 0.029 0.000 1.008 207 G CA 0.315 45.413 45.100 -0.003 0.000 0.724 207 G HN 0.670 nan 8.290 nan 0.000 0.514 208 L N 0.369 121.621 121.223 0.049 0.000 2.439 208 L HA 0.669 5.231 4.340 0.370 0.000 0.259 208 L C 1.621 178.585 176.870 0.156 0.000 1.129 208 L CA -1.258 53.635 54.840 0.089 0.000 0.803 208 L CB 0.791 42.879 42.059 0.049 0.000 1.161 208 L HN 0.342 nan 8.230 nan 0.000 0.462 209 I N -1.343 119.336 120.570 0.182 0.000 2.823 209 I HA 0.538 4.930 4.170 0.370 0.000 0.290 209 I C 0.901 177.212 176.117 0.323 0.000 1.091 209 I CA -0.233 61.197 61.300 0.217 0.000 1.365 209 I CB 0.742 38.876 38.000 0.222 0.000 1.427 209 I HN 0.763 nan 8.210 nan 0.000 0.583 210 G N 2.804 111.765 108.800 0.268 0.000 2.289 210 G HA2 -0.199 3.983 3.960 0.370 0.000 0.280 210 G HA3 -0.199 3.983 3.960 0.370 0.000 0.280 210 G C 0.042 175.071 174.900 0.216 0.000 1.089 210 G CA 0.207 45.478 45.100 0.286 0.000 0.939 210 G HN 1.268 nan 8.290 nan 0.000 0.499 211 T N -1.871 112.757 114.554 0.124 0.000 2.881 211 T HA 0.970 5.543 4.350 0.370 0.000 0.278 211 T C 0.715 175.398 174.700 -0.027 0.000 0.982 211 T CA 0.181 62.286 62.100 0.009 0.000 0.989 211 T CB 2.840 71.710 68.868 0.004 0.000 1.058 211 T HN 2.148 nan 8.240 nan 0.000 0.529 212 G N -0.231 108.521 108.800 -0.080 0.000 2.337 212 G HA2 0.173 4.356 3.960 0.370 0.000 0.298 212 G HA3 0.173 4.356 3.960 0.370 0.000 0.298 212 G C -0.090 174.750 174.900 -0.100 0.000 1.335 212 G CA -0.110 44.949 45.100 -0.069 0.000 0.875 212 G HN 0.627 nan 8.290 nan 0.000 0.579 213 D N -0.407 119.948 120.400 -0.075 0.000 2.178 213 D HA -0.019 4.843 4.640 0.370 0.000 0.201 213 D C 0.700 176.939 176.300 -0.102 0.000 0.980 213 D CA 1.018 54.977 54.000 -0.067 0.000 0.842 213 D CB 0.216 40.990 40.800 -0.042 0.000 0.948 213 D HN 0.365 nan 8.370 nan 0.000 0.472 214 R N -0.958 119.459 120.500 -0.140 0.000 2.698 214 R HA 0.611 5.174 4.340 0.370 0.000 0.275 214 R C -1.086 175.043 176.300 -0.285 0.000 1.001 214 R CA -0.725 55.262 56.100 -0.189 0.000 0.896 214 R CB 2.364 32.585 30.300 -0.131 0.000 1.218 214 R HN -0.137 nan 8.270 nan 0.000 0.462 215 A N 2.238 124.771 122.820 -0.480 0.000 2.276 215 A HA 0.497 5.039 4.320 0.370 0.000 0.316 215 A C -0.671 176.674 177.584 -0.398 0.000 1.229 215 A CA -0.431 51.223 52.037 -0.637 0.000 0.851 215 A CB 0.732 18.758 19.000 -1.624 0.000 1.165 215 A HN 0.723 nan 8.150 nan 0.000 0.513 216 E N 0.694 120.774 120.200 -0.200 0.000 2.293 216 E HA 0.615 5.187 4.350 0.370 0.000 0.270 216 E C -0.922 175.601 176.600 -0.128 0.000 0.879 216 E CA -0.727 55.572 56.400 -0.169 0.000 0.756 216 E CB 2.480 32.132 29.700 -0.079 0.000 1.208 216 E HN 0.733 nan 8.360 nan 0.000 0.428 217 T N -0.637 113.699 114.554 -0.363 0.000 2.912 217 T HA 0.611 5.183 4.350 0.370 0.000 0.299 217 T C -1.394 172.956 174.700 -0.583 0.000 1.052 217 T CA -0.685 61.245 62.100 -0.283 0.000 0.996 217 T CB 0.621 69.407 68.868 -0.137 0.000 1.070 217 T HN 0.370 nan 8.240 nan 0.000 0.465 218 Y N 0.524 120.846 120.300 0.036 0.000 2.373 218 Y HA 0.628 5.401 4.550 0.371 0.000 0.336 218 Y C 0.226 176.126 175.900 -0.001 0.000 0.979 218 Y CA -0.863 57.257 58.100 0.033 0.000 1.080 218 Y CB 2.780 41.291 38.460 0.084 0.000 1.190 218 Y HN 0.778 nan 8.280 nan 0.000 0.446 219 T N 2.248 116.865 114.554 0.107 0.000 2.881 219 T HA 0.694 5.266 4.350 0.370 0.000 0.290 219 T C -0.119 174.618 174.700 0.061 0.000 1.000 219 T CA -0.902 61.218 62.100 0.033 0.000 0.978 219 T CB 1.640 70.464 68.868 -0.072 0.000 0.997 219 T HN 0.882 nan 8.240 nan 0.000 0.443 220 G N 0.545 109.414 108.800 0.114 0.000 2.482 220 G HA2 0.772 4.954 3.960 0.370 0.000 0.317 220 G HA3 0.772 4.954 3.960 0.370 0.000 0.317 220 G C -0.662 174.299 174.900 0.102 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 -0.601 108.248 108.800 0.082 0.000 2.720 221 G HA2 0.635 4.817 3.960 0.370 0.000 0.295 221 G HA3 0.635 4.817 3.960 0.370 0.000 0.295 221 G C -1.558 173.562 174.900 0.367 0.000 1.437 221 G CA -0.643 44.537 45.100 0.134 0.000 0.886 221 G HN 0.696 nan 8.290 nan 0.000 0.509 222 L N 0.399 121.892 121.223 0.450 0.000 2.434 222 L HA 0.763 5.326 4.340 0.370 0.000 0.260 222 L C -0.531 176.489 176.870 0.250 0.000 0.983 222 L CA -0.985 54.086 54.840 0.385 0.000 0.820 222 L CB 3.014 45.220 42.059 0.246 0.000 1.361 222 L HN 0.844 nan 8.230 nan 0.000 0.410 223 K N 1.175 121.577 120.400 0.003 0.000 2.562 223 K HA 0.515 5.057 4.320 0.370 0.000 0.267 223 K C -2.125 174.320 176.600 -0.258 0.000 0.938 223 K CA -0.928 55.192 56.287 -0.278 0.000 0.840 223 K CB 2.395 34.498 32.500 -0.661 0.000 1.390 223 K HN 0.398 nan 8.250 nan 0.000 0.428 224 Y N 1.651 121.657 120.300 -0.490 0.000 2.350 224 Y HA 0.424 5.196 4.550 0.371 0.000 0.338 224 Y C -1.591 173.970 175.900 -0.564 0.000 0.961 224 Y CA -0.626 57.147 58.100 -0.545 0.000 1.100 224 Y CB 2.033 40.194 38.460 -0.499 0.000 1.179 224 Y HN 0.865 nan 8.280 nan 0.000 0.454 225 D N 5.100 124.874 120.400 -1.043 0.000 2.429 225 D HA 0.635 5.497 4.640 0.370 0.000 0.255 225 D C -1.501 174.355 176.300 -0.740 0.000 1.257 225 D CA 0.148 53.756 54.000 -0.652 0.000 0.890 225 D CB 0.371 40.967 40.800 -0.341 0.000 1.267 225 D HN 0.818 nan 8.370 nan 0.000 0.521 226 A N 2.113 124.435 122.820 -0.831 0.000 2.540 226 A HA 0.552 5.094 4.320 0.370 0.000 0.291 226 A C -0.313 177.090 177.584 -0.301 0.000 1.083 226 A CA -0.731 50.975 52.037 -0.552 0.000 0.650 226 A CB 0.652 19.283 19.000 -0.615 0.000 1.292 226 A HN 0.219 nan 8.150 nan 0.000 0.435 227 N N 1.440 120.035 118.700 -0.175 0.000 2.708 227 N HA -0.227 4.735 4.740 0.370 0.000 0.251 227 N C 0.174 175.626 175.510 -0.096 0.000 1.017 227 N CA 1.356 54.361 53.050 -0.075 0.000 0.742 227 N CB -0.953 37.553 38.487 0.032 0.000 0.943 227 N HN 0.825 nan 8.380 nan 0.000 0.539 228 N N -2.320 116.250 118.700 -0.217 0.000 2.900 228 N HA -0.229 4.733 4.740 0.370 0.000 0.240 228 N C -0.109 175.172 175.510 -0.382 0.000 0.953 228 N CA 1.383 54.191 53.050 -0.404 0.000 0.950 228 N CB -1.113 36.977 38.487 -0.661 0.000 1.102 228 N HN 0.603 nan 8.380 nan 0.000 0.593 229 I N 0.528 121.039 120.570 -0.098 0.000 2.359 229 I HA 0.253 4.645 4.170 0.370 0.000 0.294 229 I C -0.219 175.923 176.117 0.042 0.000 0.987 229 I CA -0.752 60.597 61.300 0.082 0.000 1.225 229 I CB 1.129 39.271 38.000 0.237 0.000 1.366 229 I HN -0.035 nan 8.210 nan 0.000 0.466 230 Y N 7.250 127.521 120.300 -0.049 0.000 2.338 230 Y HA 0.644 5.417 4.550 0.371 0.000 0.328 230 Y C -1.369 174.530 175.900 -0.001 0.000 0.965 230 Y CA -0.618 57.434 58.100 -0.080 0.000 1.208 230 Y CB 1.046 39.436 38.460 -0.117 0.000 1.132 230 Y HN 0.369 nan 8.280 nan 0.000 0.469 231 L N 5.778 126.769 121.223 -0.386 0.000 2.365 231 L HA 0.986 5.548 4.340 0.370 0.000 0.273 231 L C -0.743 175.867 176.870 -0.434 0.000 1.000 231 L CA -0.974 53.727 54.840 -0.232 0.000 0.819 231 L CB 1.924 43.948 42.059 -0.058 0.000 1.284 231 L HN 0.735 nan 8.230 nan 0.000 0.418 232 A N 2.500 125.202 122.820 -0.196 0.000 2.589 232 A HA 0.946 5.488 4.320 0.370 0.000 0.296 232 A C -1.585 176.022 177.584 0.040 0.000 1.062 232 A CA -0.301 51.682 52.037 -0.090 0.000 0.686 232 A CB 1.961 20.928 19.000 -0.055 0.000 1.282 232 A HN 0.803 nan 8.150 nan 0.000 0.404 233 A N 1.076 123.956 122.820 0.100 0.000 2.488 233 A HA 0.800 5.342 4.320 0.370 0.000 0.298 233 A C -1.004 176.644 177.584 0.107 0.000 1.044 233 A CA -0.363 51.706 52.037 0.053 0.000 0.693 233 A CB 1.607 20.706 19.000 0.166 0.000 1.272 233 A HN 1.881 nan 8.150 nan 0.000 0.402 234 Q N 0.529 120.326 119.800 -0.006 0.000 2.347 234 Q HA 0.686 5.249 4.340 0.370 0.000 0.271 234 Q C -1.684 174.427 176.000 0.185 0.000 1.064 234 Q CA -0.616 55.233 55.803 0.077 0.000 0.800 234 Q CB 1.746 30.481 28.738 -0.005 0.000 1.304 234 Q HN 0.818 nan 8.270 nan 0.000 0.438 235 Y N 1.317 121.723 120.300 0.177 0.000 2.341 235 Y HA 0.722 5.495 4.550 0.371 0.000 0.338 235 Y C -1.291 174.694 175.900 0.142 0.000 0.965 235 Y CA -0.377 57.870 58.100 0.245 0.000 1.108 235 Y CB 2.331 40.955 38.460 0.274 0.000 1.180 235 Y HN 0.829 nan 8.280 nan 0.000 0.458 236 T N 6.333 120.534 114.554 -0.587 0.000 2.881 236 T HA 0.290 4.862 4.350 0.370 0.000 0.290 236 T C -1.362 172.994 174.700 -0.574 0.000 1.000 236 T CA -0.704 61.156 62.100 -0.401 0.000 0.978 236 T CB 1.503 70.276 68.868 -0.158 0.000 0.997 236 T HN 0.644 nan 8.240 nan 0.000 0.443 237 Q N 2.150 121.796 119.800 -0.256 0.000 2.322 237 Q HA 0.621 5.183 4.340 0.370 0.000 0.265 237 Q C -0.553 175.450 176.000 0.004 0.000 0.985 237 Q CA -0.637 55.089 55.803 -0.128 0.000 0.849 237 Q CB 1.066 29.858 28.738 0.090 0.000 1.274 237 Q HN 0.816 nan 8.270 nan 0.000 0.449 238 T N 0.368 114.824 114.554 -0.164 0.000 2.908 238 T HA 0.623 5.195 4.350 0.370 0.000 0.290 238 T C -1.170 173.329 174.700 -0.334 0.000 1.034 238 T CA -0.505 61.541 62.100 -0.089 0.000 1.010 238 T CB 0.879 69.734 68.868 -0.021 0.000 1.068 238 T HN 0.409 nan 8.240 nan 0.000 0.481 239 Y N 1.092 121.412 120.300 0.033 0.000 2.346 239 Y HA 0.444 5.216 4.550 0.370 0.000 0.332 239 Y C 0.574 176.436 175.900 -0.063 0.000 0.985 239 Y CA -1.189 56.920 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 0.938 119.689 118.700 0.086 0.000 2.708 240 N HA -0.239 4.723 4.740 0.370 0.000 0.249 240 N C 0.343 175.751 175.510 -0.171 0.000 1.097 240 N CA 1.147 54.176 53.050 -0.034 0.000 0.710 240 N CB -0.933 37.460 38.487 -0.156 0.000 1.032 240 N HN 0.824 nan 8.380 nan 0.000 0.551 241 A N -1.797 121.055 122.820 0.054 0.000 2.048 241 A HA 0.209 4.751 4.320 0.370 0.000 0.197 241 A C 0.725 178.582 177.584 0.455 0.000 1.486 241 A CA 0.585 52.698 52.037 0.126 0.000 1.029 241 A CB 0.497 19.502 19.000 0.009 0.000 1.101 241 A HN 0.154 nan 8.150 nan 0.000 0.470 242 T N 1.547 116.329 114.554 0.380 0.000 2.744 242 T HA 0.388 4.960 4.350 0.370 0.000 0.291 242 T C 0.028 174.951 174.700 0.371 0.000 0.957 242 T CA -0.349 61.948 62.100 0.328 0.000 1.002 242 T CB 0.956 69.933 68.868 0.181 0.000 0.919 242 T HN 0.417 nan 8.240 nan 0.000 0.468 243 R N 2.658 123.319 120.500 0.268 0.000 2.491 243 R HA 0.337 4.900 4.340 0.370 0.000 0.283 243 R C -0.906 175.375 176.300 -0.032 0.000 1.072 243 R CA -0.211 55.907 56.100 0.029 0.000 1.048 243 R CB 0.355 30.564 30.300 -0.150 0.000 0.983 243 R HN 0.407 nan 8.270 nan 0.000 0.450 244 V N 6.080 125.943 119.914 -0.084 0.000 2.225 244 V HA 0.277 4.619 4.120 0.370 0.000 0.264 244 V C 1.071 177.032 176.094 -0.221 0.000 1.067 244 V CA 0.260 62.525 62.300 -0.058 0.000 0.903 244 V CB -0.008 31.863 31.823 0.081 0.000 1.136 244 V HN 1.207 nan 8.190 nan 0.000 0.456 245 G N 4.073 112.701 108.800 -0.286 0.000 2.611 245 G HA2 -0.354 3.829 3.960 0.370 0.000 0.301 245 G HA3 -0.354 3.829 3.960 0.370 0.000 0.301 245 G C 1.152 175.786 174.900 -0.443 0.000 1.233 245 G CA 0.789 45.681 45.100 -0.347 0.000 0.993 245 G HN 1.226 nan 8.290 nan 0.000 0.553 246 S N 0.029 115.534 115.700 -0.325 0.000 2.593 246 S HA 0.360 5.052 4.470 0.370 0.000 0.217 246 S C 2.260 176.814 174.600 -0.077 0.000 0.966 246 S CA 1.070 59.128 58.200 -0.236 0.000 0.914 246 S CB 0.203 63.314 63.200 -0.149 0.000 0.776 246 S HN 0.576 nan 8.310 nan 0.000 0.523 247 L N 0.840 122.003 121.223 -0.100 0.000 2.240 247 L HA 0.313 4.875 4.340 0.370 0.000 0.211 247 L C 1.677 178.582 176.870 0.059 0.000 1.106 247 L CA 0.792 55.629 54.840 -0.005 0.000 0.793 247 L CB -0.624 41.423 42.059 -0.021 0.000 0.927 247 L HN 0.676 nan 8.230 nan 0.000 0.446 248 G N -1.978 106.850 108.800 0.046 0.000 2.295 248 G HA2 -0.082 4.100 3.960 0.370 0.000 0.155 248 G HA3 -0.082 4.100 3.960 0.370 0.000 0.155 248 G C -1.724 173.115 174.900 -0.101 0.000 1.307 248 G CA -0.695 44.359 45.100 -0.078 0.000 1.140 248 G HN -0.030 nan 8.290 nan 0.000 0.470 249 W N 0.333 121.784 121.300 0.250 0.000 2.894 249 W HA 0.722 5.603 4.660 0.369 0.000 0.345 249 W C 0.236 176.846 176.519 0.151 0.000 1.152 249 W CA -0.344 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 0.966 nan 8.180 nan 0.000 0.589 250 A N 1.736 124.774 122.820 0.364 0.000 2.289 250 A HA 0.199 4.741 4.320 0.370 0.000 0.298 250 A C 0.937 178.622 177.584 0.168 0.000 1.208 250 A CA -0.376 51.788 52.037 0.212 0.000 0.845 250 A CB 0.250 19.330 19.000 0.134 0.000 1.125 250 A HN 0.654 nan 8.150 nan 0.000 0.517 251 N N 1.035 119.823 118.700 0.146 0.000 2.091 251 N HA -0.136 4.826 4.740 0.370 0.000 0.193 251 N C 0.476 176.034 175.510 0.081 0.000 1.021 251 N CA 1.565 54.692 53.050 0.128 0.000 0.862 251 N CB -0.023 38.535 38.487 0.119 0.000 1.018 251 N HN 0.771 nan 8.380 nan 0.000 0.429 252 K N -0.420 119.974 120.400 -0.009 0.000 2.501 252 K HA 0.580 5.122 4.320 0.370 0.000 0.252 252 K C -1.955 174.563 176.600 -0.136 0.000 0.934 252 K CA -0.555 55.603 56.287 -0.215 0.000 0.797 252 K CB 2.203 34.577 32.500 -0.211 0.000 1.270 252 K HN -0.026 nan 8.250 nan 0.000 0.431 253 A N 3.409 126.117 122.820 -0.187 0.000 2.414 253 A HA 0.467 5.009 4.320 0.370 0.000 0.306 253 A C -1.519 175.997 177.584 -0.114 0.000 1.054 253 A CA -0.720 51.264 52.037 -0.087 0.000 0.724 253 A CB 1.671 20.659 19.000 -0.020 0.000 1.267 253 A HN 0.706 nan 8.150 nan 0.000 0.418 254 Q N 1.816 121.589 119.800 -0.046 0.000 2.348 254 Q HA 0.375 4.937 4.340 0.370 0.000 0.265 254 Q C -1.162 174.834 176.000 -0.008 0.000 0.998 254 Q CA -0.714 55.073 55.803 -0.027 0.000 0.831 254 Q CB 1.597 30.425 28.738 0.150 0.000 1.251 254 Q HN 0.682 nan 8.270 nan 0.000 0.456 255 N N 2.444 121.058 118.700 -0.143 0.000 2.372 255 N HA 0.517 5.480 4.740 0.370 0.000 0.291 255 N C -1.524 174.037 175.510 0.085 0.000 1.024 255 N CA -0.302 52.732 53.050 -0.027 0.000 0.873 255 N CB 1.545 40.009 38.487 -0.038 0.000 1.206 255 N HN 0.447 nan 8.380 nan 0.000 0.486 256 F N 0.715 120.683 119.950 0.030 0.000 2.581 256 F HA 0.411 5.161 4.527 0.371 0.000 0.311 256 F C -1.062 174.767 175.800 0.047 0.000 1.113 256 F CA -0.608 57.470 58.000 0.129 0.000 0.935 256 F CB 1.626 40.785 39.000 0.264 0.000 1.232 256 F HN 0.346 nan 8.300 nan 0.000 0.445 257 E N 4.404 124.140 120.200 -0.773 0.000 2.275 257 E HA 0.748 5.320 4.350 0.370 0.000 0.270 257 E C -1.564 174.583 176.600 -0.755 0.000 0.882 257 E CA -1.219 54.827 56.400 -0.589 0.000 0.758 257 E CB 2.177 31.730 29.700 -0.244 0.000 1.195 257 E HN 0.727 nan 8.360 nan 0.000 0.419 258 A N 1.946 124.500 122.820 -0.444 0.000 2.475 258 A HA 0.794 5.336 4.320 0.370 0.000 0.301 258 A C -1.176 176.405 177.584 -0.005 0.000 1.059 258 A CA -0.649 51.275 52.037 -0.188 0.000 0.710 258 A CB 1.550 20.537 19.000 -0.023 0.000 1.288 258 A HN 0.293 nan 8.150 nan 0.000 0.408 259 V N 0.120 120.065 119.914 0.052 0.000 2.808 259 V HA 0.805 5.147 4.120 0.370 0.000 0.308 259 V C -0.065 176.103 176.094 0.123 0.000 1.099 259 V CA -0.266 62.099 62.300 0.110 0.000 0.920 259 V CB 1.594 33.519 31.823 0.169 0.000 1.014 259 V HN 1.639 nan 8.190 nan 0.000 0.425 260 A N 3.912 126.811 122.820 0.132 0.000 2.356 260 A HA 0.920 5.462 4.320 0.370 0.000 0.310 260 A C -0.845 176.831 177.584 0.154 0.000 1.075 260 A CA -0.551 51.564 52.037 0.130 0.000 0.746 260 A CB 1.773 20.831 19.000 0.098 0.000 1.221 260 A HN 0.810 nan 8.150 nan 0.000 0.443 261 Q N 0.203 120.110 119.800 0.178 0.000 2.416 261 Q HA 0.530 5.093 4.340 0.370 0.000 0.281 261 Q C -2.114 173.985 176.000 0.165 0.000 1.067 261 Q CA -0.616 55.283 55.803 0.160 0.000 0.809 261 Q CB 2.977 31.794 28.738 0.132 0.000 1.418 261 Q HN 0.743 nan 8.270 nan 0.000 0.411 262 Y N 0.839 121.115 120.300 -0.040 0.000 2.492 262 Y HA 0.353 5.126 4.550 0.371 0.000 0.346 262 Y C -1.386 174.385 175.900 -0.216 0.000 0.997 262 Y CA -0.631 57.367 58.100 -0.170 0.000 1.025 262 Y CB 2.243 40.527 38.460 -0.292 0.000 1.263 262 Y HN 0.550 nan 8.280 nan 0.000 0.454 263 Q N 5.025 124.248 119.800 -0.963 0.000 2.413 263 Q HA 0.414 4.976 4.340 0.370 0.000 0.258 263 Q C -1.951 173.569 176.000 -0.799 0.000 1.037 263 Q CA -0.347 55.077 55.803 -0.632 0.000 0.764 263 Q CB 0.203 28.660 28.738 -0.470 0.000 1.217 263 Q HN 0.535 nan 8.270 nan 0.000 0.490 264 F N 2.491 122.224 119.950 -0.361 0.000 2.529 264 F HA 0.056 4.805 4.527 0.370 0.000 0.365 264 F C 1.343 176.907 175.800 -0.394 0.000 1.102 264 F CA 0.079 57.885 58.000 -0.324 0.000 1.271 264 F CB 0.696 39.317 39.000 -0.631 0.000 1.120 264 F HN 0.622 nan 8.300 nan 0.000 0.579 265 D N 2.299 122.696 120.400 -0.004 0.000 2.170 265 D HA -0.292 4.570 4.640 0.370 0.000 0.193 265 D C 1.946 178.272 176.300 0.044 0.000 1.004 265 D CA 1.977 55.987 54.000 0.017 0.000 0.860 265 D CB -0.410 40.459 40.800 0.116 0.000 0.931 265 D HN 0.589 nan 8.370 nan 0.000 0.448 266 F N -2.107 117.937 119.950 0.157 0.000 2.699 266 F HA 0.274 5.023 4.527 0.370 0.000 0.298 266 F C 1.601 177.475 175.800 0.123 0.000 1.154 266 F CA 0.765 58.849 58.000 0.140 0.000 1.457 266 F CB 0.008 39.099 39.000 0.151 0.000 1.106 266 F HN 0.014 nan 8.300 nan 0.000 0.585 267 G N 0.478 109.126 108.800 -0.253 0.000 2.480 267 G HA2 -0.175 4.007 3.960 0.370 0.000 0.193 267 G HA3 -0.175 4.007 3.960 0.370 0.000 0.193 267 G C -0.361 174.404 174.900 -0.226 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 1.885 123.000 121.223 -0.179 0.000 2.367 268 L HA 0.763 5.326 4.340 0.370 0.000 0.275 268 L C 0.604 177.564 176.870 0.150 0.000 1.129 268 L CA -0.281 54.624 54.840 0.108 0.000 0.839 268 L CB 0.846 43.032 42.059 0.212 0.000 1.133 268 L HN 0.265 nan 8.230 nan 0.000 0.453 269 R N 6.139 126.742 120.500 0.172 0.000 2.415 269 R HA 0.480 5.042 4.340 0.370 0.000 0.292 269 R C -2.629 173.774 176.300 0.172 0.000 1.295 269 R CA -1.679 54.515 56.100 0.156 0.000 1.137 269 R CB 0.951 31.349 30.300 0.163 0.000 1.135 269 R HN 0.451 nan 8.270 nan 0.000 0.560 270 P HA 0.091 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 -0.230 62.999 63.100 0.215 0.000 0.784 270 P CB 1.424 33.292 31.700 0.280 0.000 0.923 271 S N 1.241 117.029 115.700 0.147 0.000 2.572 271 S HA 0.668 5.360 4.470 0.370 0.000 0.274 271 S C -1.811 172.871 174.600 0.136 0.000 1.150 271 S CA -0.515 57.763 58.200 0.129 0.000 0.944 271 S CB 0.228 63.489 63.200 0.103 0.000 1.071 271 S HN 0.297 nan 8.310 nan 0.000 0.479 272 L N 4.274 125.575 121.223 0.131 0.000 2.409 272 L HA 0.976 5.538 4.340 0.370 0.000 0.272 272 L C -0.707 176.241 176.870 0.130 0.000 0.980 272 L CA 0.045 54.962 54.840 0.128 0.000 0.826 272 L CB 1.490 43.618 42.059 0.115 0.000 1.268 272 L HN 0.847 nan 8.230 nan 0.000 0.407 273 A N 3.780 126.683 122.820 0.138 0.000 2.587 273 A HA 0.756 5.298 4.320 0.370 0.000 0.293 273 A C -2.297 175.374 177.584 0.146 0.000 1.087 273 A CA -0.472 51.641 52.037 0.126 0.000 0.692 273 A CB 1.382 20.446 19.000 0.106 0.000 1.291 273 A HN 0.720 nan 8.150 nan 0.000 0.407 274 Y N 0.714 120.987 120.300 -0.045 0.000 2.421 274 Y HA 0.705 5.478 4.550 0.371 0.000 0.339 274 Y C -1.921 173.859 175.900 -0.199 0.000 0.996 274 Y CA -0.950 57.098 58.100 -0.085 0.000 1.046 274 Y CB 1.549 40.025 38.460 0.027 0.000 1.226 274 Y HN 0.620 nan 8.280 nan 0.000 0.445 275 L N 5.388 125.993 121.223 -1.029 0.000 2.401 275 L HA 0.626 5.188 4.340 0.370 0.000 0.266 275 L C -1.032 175.293 176.870 -0.907 0.000 0.991 275 L CA -0.502 53.814 54.840 -0.873 0.000 0.818 275 L CB 2.437 43.951 42.059 -0.909 0.000 1.321 275 L HN 0.688 nan 8.230 nan 0.000 0.413 276 Q N 1.001 120.532 119.800 -0.448 0.000 2.295 276 Q HA 0.586 5.148 4.340 0.370 0.000 0.268 276 Q C -1.721 174.251 176.000 -0.046 0.000 1.010 276 Q CA -0.336 55.337 55.803 -0.217 0.000 0.856 276 Q CB 2.429 31.149 28.738 -0.030 0.000 1.349 276 Q HN 0.563 nan 8.270 nan 0.000 0.412 277 S N 3.237 118.920 115.700 -0.028 0.000 2.707 277 S HA 0.463 5.155 4.470 0.370 0.000 0.312 277 S C -1.334 173.280 174.600 0.023 0.000 1.116 277 S CA -0.575 57.632 58.200 0.012 0.000 1.078 277 S CB 0.558 63.766 63.200 0.013 0.000 0.997 277 S HN 0.429 nan 8.310 nan 0.000 0.477 278 K N 3.381 123.799 120.400 0.031 0.000 2.316 278 K HA 0.371 4.913 4.320 0.370 0.000 0.267 278 K C 0.366 176.962 176.600 -0.006 0.000 1.025 278 K CA -0.549 55.746 56.287 0.015 0.000 0.896 278 K CB 1.442 33.965 32.500 0.038 0.000 1.124 278 K HN 0.679 nan 8.250 nan 0.000 0.451 279 G N 3.320 112.099 108.800 -0.034 0.000 2.370 279 G HA2 0.167 4.349 3.960 0.370 0.000 0.272 279 G HA3 0.167 4.349 3.960 0.370 0.000 0.272 279 G C -0.303 174.568 174.900 -0.049 0.000 1.208 279 G CA -0.447 44.631 45.100 -0.036 0.000 0.856 279 G HN 0.308 nan 8.290 nan 0.000 0.500 280 K N 1.699 122.086 120.400 -0.021 0.000 2.207 280 K HA 0.228 4.771 4.320 0.370 0.000 0.255 280 K C 0.290 176.900 176.600 0.018 0.000 0.941 280 K CA -1.145 55.137 56.287 -0.008 0.000 0.825 280 K CB 1.549 34.046 32.500 -0.004 0.000 1.119 280 K HN 0.622 nan 8.250 nan 0.000 0.430 281 N N 2.038 120.751 118.700 0.023 0.000 2.678 281 N HA -0.204 4.758 4.740 0.370 0.000 0.268 281 N C 0.102 175.655 175.510 0.072 0.000 1.010 281 N CA 0.202 53.279 53.050 0.045 0.000 0.784 281 N CB -0.919 37.597 38.487 0.048 0.000 0.905 281 N HN 0.639 nan 8.380 nan 0.000 0.552 282 L N -0.221 121.055 121.223 0.088 0.000 2.217 282 L HA 0.147 4.710 4.340 0.370 0.000 0.211 282 L C 1.711 178.688 176.870 0.179 0.000 1.107 282 L CA 0.822 55.747 54.840 0.141 0.000 0.783 282 L CB -0.751 41.403 42.059 0.158 0.000 0.919 282 L HN 0.717 nan 8.230 nan 0.000 0.442 283 G N -0.566 108.328 108.800 0.157 0.000 2.661 283 G HA2 -0.213 3.969 3.960 0.370 0.000 0.685 283 G HA3 -0.213 3.969 3.960 0.370 0.000 0.685 283 G C 0.173 175.154 174.900 0.135 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 -0.968 119.560 120.500 0.047 0.000 3.651 284 R HA -0.097 4.465 4.340 0.370 0.000 0.292 284 R C 1.570 177.707 176.300 -0.271 0.000 1.161 284 R CA 2.333 58.406 56.100 -0.046 0.000 0.787 284 R CB -1.523 28.815 30.300 0.062 0.000 1.249 284 R HN 2.928 nan 8.270 nan 0.000 0.476 285 G N -1.896 106.801 108.800 -0.172 0.000 2.162 285 G HA2 -0.371 3.811 3.960 0.370 0.000 0.260 285 G HA3 -0.371 3.811 3.960 0.370 0.000 0.260 285 G C 0.154 174.928 174.900 -0.210 0.000 0.976 285 G CA 0.565 45.539 45.100 -0.209 0.000 0.655 285 G HN 0.433 nan 8.290 nan 0.000 0.533 286 Y N 0.185 120.513 120.300 0.047 0.000 2.476 286 Y HA 0.188 4.961 4.550 0.371 0.000 0.283 286 Y C 1.993 177.861 175.900 -0.053 0.000 1.109 286 Y CA 0.055 58.166 58.100 0.019 0.000 1.246 286 Y CB 0.132 38.635 38.460 0.072 0.000 1.068 286 Y HN 0.309 nan 8.280 nan 0.000 0.552 287 D N -0.302 120.164 120.400 0.110 0.000 3.996 287 D HA -0.253 4.609 4.640 0.370 0.000 0.140 287 D C -0.692 175.604 176.300 -0.007 0.000 0.829 287 D CA 1.757 55.781 54.000 0.040 0.000 1.111 287 D CB -1.089 39.724 40.800 0.021 0.000 0.516 287 D HN 0.162 nan 8.370 nan 0.000 0.517 288 D N 2.475 122.850 120.400 -0.043 0.000 2.233 288 D HA 0.522 5.384 4.640 0.370 0.000 0.240 288 D C -0.055 176.136 176.300 -0.181 0.000 1.074 288 D CA 0.177 54.124 54.000 -0.088 0.000 0.838 288 D CB 1.150 41.920 40.800 -0.050 0.000 1.124 288 D HN 0.113 nan 8.370 nan 0.000 0.475 289 E N 1.068 121.085 120.200 -0.306 0.000 2.356 289 E HA 0.214 4.787 4.350 0.370 0.000 0.275 289 E C -1.080 175.331 176.600 -0.314 0.000 0.904 289 E CA -0.764 55.351 56.400 -0.476 0.000 0.757 289 E CB 2.259 31.194 29.700 -1.275 0.000 1.232 289 E HN 0.252 nan 8.360 nan 0.000 0.442 290 D N 2.057 122.354 120.400 -0.171 0.000 2.383 290 D HA 0.143 5.005 4.640 0.370 0.000 0.252 290 D C 1.126 177.465 176.300 0.065 0.000 1.166 290 D CA 0.149 54.128 54.000 -0.035 0.000 0.879 290 D CB 1.111 41.919 40.800 0.015 0.000 1.164 290 D HN 0.382 nan 8.370 nan 0.000 0.462 291 I N 1.562 122.186 120.570 0.090 0.000 3.035 291 I HA 0.021 4.413 4.170 0.370 0.000 0.271 291 I C 0.553 176.727 176.117 0.096 0.000 1.190 291 I CA 0.406 61.809 61.300 0.171 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 5.036 4.340 0.370 0.000 0.258 292 L C -1.221 175.637 176.870 -0.019 0.000 0.942 292 L CA -0.349 54.509 54.840 0.031 0.000 0.855 292 L CB 1.761 43.825 42.059 0.009 0.000 1.374 292 L HN -0.074 nan 8.230 nan 0.000 0.411 293 K N 3.957 124.353 120.400 -0.007 0.000 2.636 293 K HA 0.479 5.022 4.320 0.370 0.000 0.286 293 K C -2.265 174.337 176.600 0.003 0.000 1.100 293 K CA -0.546 55.689 56.287 -0.086 0.000 0.991 293 K CB 0.923 33.431 32.500 0.014 0.000 1.323 293 K HN 0.615 nan 8.250 nan 0.000 0.478 294 Y N -0.311 119.858 120.300 -0.218 0.000 2.581 294 Y HA 0.638 5.410 4.550 0.370 0.000 0.337 294 Y C -1.692 174.135 175.900 -0.121 0.000 1.108 294 Y CA -1.207 56.804 58.100 -0.147 0.000 1.033 294 Y CB 0.975 39.333 38.460 -0.170 0.000 1.318 294 Y HN -0.030 nan 8.280 nan 0.000 0.459 295 V N 2.590 122.631 119.914 0.211 0.000 2.532 295 V HA 0.375 4.717 4.120 0.370 0.000 0.295 295 V C -0.809 175.410 176.094 0.209 0.000 1.041 295 V CA -0.531 61.890 62.300 0.202 0.000 0.926 295 V CB 1.558 33.479 31.823 0.163 0.000 0.992 295 V HN 0.876 nan 8.190 nan 0.000 0.457 296 D N 2.771 123.294 120.400 0.205 0.000 2.629 296 D HA 0.527 5.389 4.640 0.370 0.000 0.250 296 D C -1.527 174.869 176.300 0.161 0.000 1.126 296 D CA -0.142 53.984 54.000 0.211 0.000 0.852 296 D CB 2.364 43.363 40.800 0.332 0.000 1.335 296 D HN 0.300 nan 8.370 nan 0.000 0.518 297 V N 2.510 122.515 119.914 0.151 0.000 2.540 297 V HA 0.874 5.216 4.120 0.370 0.000 0.302 297 V C 0.691 176.920 176.094 0.226 0.000 1.035 297 V CA -0.488 61.916 62.300 0.174 0.000 0.873 297 V CB 1.529 33.451 31.823 0.164 0.000 0.992 297 V HN 0.704 nan 8.190 nan 0.000 0.428 298 G N 2.467 111.381 108.800 0.190 0.000 2.608 298 G HA2 0.885 5.067 3.960 0.370 0.000 0.291 298 G HA3 0.885 5.067 3.960 0.370 0.000 0.291 298 G C -1.588 173.404 174.900 0.153 0.000 1.425 298 G CA -0.112 45.097 45.100 0.183 0.000 0.787 298 G HN 1.236 nan 8.290 nan 0.000 0.484 299 A N -0.424 122.484 122.820 0.148 0.000 2.517 299 A HA 0.832 5.374 4.320 0.370 0.000 0.297 299 A C -0.630 177.025 177.584 0.118 0.000 1.050 299 A CA -0.441 51.677 52.037 0.136 0.000 0.694 299 A CB 1.706 20.796 19.000 0.151 0.000 1.277 299 A HN 0.984 nan 8.150 nan 0.000 0.400 300 T N 1.696 116.279 114.554 0.048 0.000 2.807 300 T HA 0.526 5.098 4.350 0.370 0.000 0.279 300 T C -1.319 173.299 174.700 -0.138 0.000 0.993 300 T CA -0.051 61.996 62.100 -0.088 0.000 0.970 300 T CB 0.856 69.531 68.868 -0.321 0.000 0.950 300 T HN 0.530 nan 8.240 nan 0.000 0.441 301 Y N 2.956 123.078 120.300 -0.296 0.000 2.331 301 Y HA 0.491 5.263 4.550 0.370 0.000 0.338 301 Y C -1.410 174.189 175.900 -0.502 0.000 0.976 301 Y CA -1.409 56.493 58.100 -0.330 0.000 1.137 301 Y CB 0.604 38.874 38.460 -0.317 0.000 1.172 301 Y HN 0.607 nan 8.280 nan 0.000 0.478 302 Y N 7.479 127.310 120.300 -0.782 0.000 2.518 302 Y HA 0.198 4.970 4.550 0.369 0.000 0.344 302 Y C 0.320 175.806 175.900 -0.691 0.000 0.982 302 Y CA -0.465 57.320 58.100 -0.524 0.000 1.234 302 Y CB 0.145 38.415 38.460 -0.317 0.000 1.114 302 Y HN 0.693 nan 8.280 nan 0.000 0.515 303 F N 1.127 120.985 119.950 -0.152 0.000 2.134 303 F HA -0.190 4.559 4.527 0.370 0.000 0.299 303 F C 0.974 176.779 175.800 0.008 0.000 1.097 303 F CA 1.158 59.149 58.000 -0.016 0.000 1.264 303 F CB -0.122 38.957 39.000 0.131 0.000 1.001 303 F HN 0.569 nan 8.300 nan 0.000 0.479 304 N N -2.116 116.711 118.700 0.211 0.000 3.496 304 N HA 0.074 5.036 4.740 0.370 0.000 0.331 304 N C -0.162 175.403 175.510 0.092 0.000 1.532 304 N CA -0.736 52.382 53.050 0.114 0.000 0.863 304 N CB 0.258 38.815 38.487 0.116 0.000 1.927 304 N HN -0.228 nan 8.380 nan 0.000 0.529 305 K N -0.647 119.775 120.400 0.036 0.000 2.365 305 K HA 0.159 4.701 4.320 0.370 0.000 0.199 305 K C 0.266 176.872 176.600 0.011 0.000 1.045 305 K CA 1.231 57.516 56.287 -0.002 0.000 0.962 305 K CB -0.343 32.138 32.500 -0.031 0.000 0.759 305 K HN 0.446 nan 8.250 nan 0.000 0.469 306 N N -0.822 117.898 118.700 0.033 0.000 2.197 306 N HA 0.090 5.052 4.740 0.370 0.000 0.201 306 N C -0.646 174.861 175.510 -0.005 0.000 1.148 306 N CA -0.056 52.963 53.050 -0.051 0.000 0.883 306 N CB 0.627 39.095 38.487 -0.032 0.000 1.012 306 N HN -0.058 nan 8.380 nan 0.000 0.507 307 M N 0.840 120.531 119.600 0.152 0.000 2.324 307 M HA 0.422 5.125 4.480 0.370 0.000 0.288 307 M C -1.698 174.838 176.300 0.394 0.000 1.097 307 M CA -0.632 54.824 55.300 0.259 0.000 0.928 307 M CB 1.796 34.539 32.600 0.239 0.000 1.648 307 M HN 0.049 nan 8.290 nan 0.000 0.460 308 S N 1.550 117.455 115.700 0.343 0.000 2.565 308 S HA 0.903 5.595 4.470 0.370 0.000 0.269 308 S C -1.001 173.722 174.600 0.205 0.000 1.153 308 S CA -0.786 57.533 58.200 0.199 0.000 0.835 308 S CB 2.025 65.174 63.200 -0.085 0.000 1.122 308 S HN 0.784 nan 8.310 nan 0.000 0.462 309 T N 1.107 115.719 114.554 0.095 0.000 2.909 309 T HA 0.772 5.344 4.350 0.370 0.000 0.299 309 T C -2.058 172.669 174.700 0.044 0.000 1.073 309 T CA -0.530 61.605 62.100 0.059 0.000 0.999 309 T CB 1.078 70.046 68.868 0.168 0.000 1.098 309 T HN 1.182 nan 8.240 nan 0.000 0.477 310 Y N 0.920 121.224 120.300 0.007 0.000 2.609 310 Y HA 0.809 5.579 4.550 0.368 0.000 0.336 310 Y C -1.782 174.141 175.900 0.038 0.000 1.129 310 Y CA -1.392 56.705 58.100 -0.006 0.000 1.040 310 Y CB 0.817 39.246 38.460 -0.050 0.000 1.310 310 Y HN 0.478 nan 8.280 nan 0.000 0.460 311 V N 2.383 122.490 119.914 0.322 0.000 2.604 311 V HA 0.625 4.968 4.120 0.370 0.000 0.305 311 V C -1.697 174.582 176.094 0.308 0.000 1.043 311 V CA -0.255 62.211 62.300 0.277 0.000 0.888 311 V CB 1.648 33.567 31.823 0.160 0.000 0.995 311 V HN 0.908 nan 8.190 nan 0.000 0.429 312 D N 4.532 125.118 120.400 0.310 0.000 2.629 312 D HA 0.319 5.181 4.640 0.370 0.000 0.250 312 D C -1.897 174.688 176.300 0.474 0.000 1.126 312 D CA -0.132 54.043 54.000 0.292 0.000 0.852 312 D CB 1.659 42.498 40.800 0.066 0.000 1.335 312 D HN 0.489 nan 8.370 nan 0.000 0.518 313 Y N 3.431 123.889 120.300 0.262 0.000 2.388 313 Y HA 0.306 5.078 4.550 0.370 0.000 0.328 313 Y C -0.640 175.313 175.900 0.088 0.000 0.963 313 Y CA -1.203 57.002 58.100 0.175 0.000 1.240 313 Y CB 0.844 39.374 38.460 0.116 0.000 1.118 313 Y HN 0.227 nan 8.280 nan 0.000 0.484 314 K N 8.030 128.426 120.400 -0.006 0.000 2.263 314 K HA 0.393 4.935 4.320 0.370 0.000 0.282 314 K C -0.971 175.376 176.600 -0.422 0.000 1.089 314 K CA -0.300 55.719 56.287 -0.446 0.000 0.907 314 K CB 0.143 31.936 32.500 -1.179 0.000 1.148 314 K HN 0.747 nan 8.250 nan 0.000 0.470 315 I N 4.448 124.777 120.570 -0.403 0.000 2.281 315 I HA 0.037 4.429 4.170 0.370 0.000 0.293 315 I C 0.220 176.263 176.117 -0.122 0.000 1.085 315 I CA -0.607 60.485 61.300 -0.348 0.000 1.257 315 I CB 0.382 38.166 38.000 -0.359 0.000 1.430 315 I HN 0.512 nan 8.210 nan 0.000 0.489 316 N N 6.943 125.572 118.700 -0.119 0.000 2.411 316 N HA 0.201 5.163 4.740 0.370 0.000 0.259 316 N C 0.382 175.896 175.510 0.007 0.000 1.103 316 N CA -0.000 53.017 53.050 -0.054 0.000 0.954 316 N CB 1.265 39.688 38.487 -0.106 0.000 1.085 316 N HN 0.571 nan 8.380 nan 0.000 0.485 317 L N 3.314 124.571 121.223 0.056 0.000 2.607 317 L HA 0.236 4.798 4.340 0.370 0.000 0.228 317 L C 0.640 177.543 176.870 0.055 0.000 1.123 317 L CA -0.044 54.833 54.840 0.061 0.000 0.890 317 L CB 0.019 42.138 42.059 0.099 0.000 1.103 317 L HN 0.354 nan 8.230 nan 0.000 0.468 318 L N 0.526 121.778 121.223 0.048 0.000 2.456 318 L HA 0.080 4.642 4.340 0.370 0.000 0.272 318 L C -0.040 176.855 176.870 0.041 0.000 1.189 318 L CA 0.014 54.883 54.840 0.050 0.000 0.846 318 L CB 0.324 42.413 42.059 0.050 0.000 1.111 318 L HN 0.043 nan 8.230 nan 0.000 0.475 319 D N 1.309 121.739 120.400 0.049 0.000 2.210 319 D HA 0.070 4.932 4.640 0.370 0.000 0.249 319 D C -0.461 175.868 176.300 0.048 0.000 1.062 319 D CA -0.291 53.736 54.000 0.044 0.000 0.891 319 D CB 1.559 42.386 40.800 0.046 0.000 1.186 319 D HN 0.400 nan 8.370 nan 0.000 0.432 320 D N 1.476 121.897 120.400 0.036 0.000 2.346 320 D HA 0.075 4.937 4.640 0.370 0.000 0.260 320 D C -0.343 175.985 176.300 0.046 0.000 1.252 320 D CA -0.022 53.997 54.000 0.032 0.000 0.895 320 D CB 0.052 40.864 40.800 0.020 0.000 1.097 320 D HN 0.352 nan 8.370 nan 0.000 0.489 321 N N 1.688 120.426 118.700 0.063 0.000 3.204 321 N HA 0.210 5.172 4.740 0.370 0.000 0.285 321 N C 0.629 176.200 175.510 0.102 0.000 1.536 321 N CA -0.872 52.230 53.050 0.087 0.000 0.832 321 N CB 0.662 39.215 38.487 0.111 0.000 1.645 321 N HN 0.184 nan 8.380 nan 0.000 0.586 322 R N -0.904 119.682 120.500 0.144 0.000 2.083 322 R HA -0.113 4.449 4.340 0.370 0.000 0.237 322 R C 1.689 178.108 176.300 0.199 0.000 1.137 322 R CA 1.625 57.831 56.100 0.177 0.000 0.951 322 R CB -0.560 29.881 30.300 0.235 0.000 0.851 322 R HN 0.556 nan 8.270 nan 0.000 0.434 323 F N 1.482 121.467 119.950 0.057 0.000 2.102 323 F HA -0.222 4.528 4.527 0.371 0.000 0.298 323 F C 2.417 178.097 175.800 -0.199 0.000 1.105 323 F CA 2.302 60.163 58.000 -0.232 0.000 1.239 323 F CB -0.711 38.090 39.000 -0.331 0.000 0.991 323 F HN 0.146 nan 8.300 nan 0.000 0.474 324 T N -1.531 112.920 114.554 -0.171 0.000 2.904 324 T HA -0.099 4.473 4.350 0.370 0.000 0.267 324 T C 2.094 176.652 174.700 -0.237 0.000 1.059 324 T CA 1.117 63.054 62.100 -0.273 0.000 1.137 324 T CB -0.520 68.319 68.868 -0.049 0.000 0.879 324 T HN 0.341 nan 8.240 nan 0.000 0.467 325 R N 1.037 121.459 120.500 -0.130 0.000 2.062 325 R HA -0.010 4.553 4.340 0.370 0.000 0.229 325 R C 2.287 178.518 176.300 -0.115 0.000 1.128 325 R CA 1.570 57.616 56.100 -0.091 0.000 0.960 325 R CB -0.369 29.915 30.300 -0.028 0.000 0.855 325 R HN 0.375 nan 8.270 nan 0.000 0.432 326 D N 0.709 121.040 120.400 -0.115 0.000 2.117 326 D HA -0.123 4.739 4.640 0.370 0.000 0.197 326 D C 1.687 177.864 176.300 -0.206 0.000 0.987 326 D CA 1.579 55.522 54.000 -0.096 0.000 0.829 326 D CB -0.175 40.645 40.800 0.033 0.000 0.961 326 D HN 0.238 nan 8.370 nan 0.000 0.460 327 A N -0.337 122.234 122.820 -0.414 0.000 2.066 327 A HA 0.292 4.834 4.320 0.370 0.000 0.218 327 A C 1.820 179.216 177.584 -0.314 0.000 1.157 327 A CA 1.407 53.167 52.037 -0.461 0.000 0.670 327 A CB -0.421 18.086 19.000 -0.822 0.000 0.804 327 A HN 0.304 nan 8.150 nan 0.000 0.453 328 G N -0.919 107.731 108.800 -0.250 0.000 2.176 328 G HA2 -0.229 3.953 3.960 0.370 0.000 0.252 328 G HA3 -0.229 3.953 3.960 0.370 0.000 0.252 328 G C 0.029 174.820 174.900 -0.181 0.000 1.024 328 G CA 0.338 45.329 45.100 -0.181 0.000 0.755 328 G HN 0.494 nan 8.290 nan 0.000 0.507 329 I N 0.395 120.839 120.570 -0.208 0.000 2.428 329 I HA 0.174 4.566 4.170 0.370 0.000 0.289 329 I C 0.742 176.794 176.117 -0.109 0.000 1.019 329 I CA -0.863 60.339 61.300 -0.163 0.000 1.351 329 I CB 1.018 38.915 38.000 -0.171 0.000 1.412 329 I HN 0.197 nan 8.210 nan 0.000 0.513 330 N N 3.566 122.211 118.700 -0.092 0.000 2.475 330 N HA 0.007 4.969 4.740 0.370 0.000 0.267 330 N C 0.723 176.195 175.510 -0.064 0.000 1.169 330 N CA 0.157 53.161 53.050 -0.075 0.000 0.947 330 N CB 0.763 39.200 38.487 -0.083 0.000 1.061 330 N HN 0.716 nan 8.380 nan 0.000 0.466 331 T N -1.075 113.451 114.554 -0.048 0.000 3.044 331 T HA 0.198 4.770 4.350 0.370 0.000 0.260 331 T C -0.028 174.651 174.700 -0.035 0.000 1.019 331 T CA -0.310 61.772 62.100 -0.030 0.000 0.921 331 T CB -0.059 68.805 68.868 -0.008 0.000 1.053 331 T HN 0.348 nan 8.240 nan 0.000 0.533 332 D N 2.343 122.715 120.400 -0.047 0.000 2.294 332 D HA 0.292 5.154 4.640 0.370 0.000 0.250 332 D C -0.605 175.649 176.300 -0.077 0.000 1.058 332 D CA -0.361 53.616 54.000 -0.037 0.000 0.950 332 D CB 1.183 41.974 40.800 -0.016 0.000 1.158 332 D HN 0.250 nan 8.370 nan 0.000 0.453 333 D N 0.495 120.873 120.400 -0.036 0.000 2.362 333 D HA 0.339 5.201 4.640 0.370 0.000 0.242 333 D C 0.089 176.367 176.300 -0.036 0.000 1.132 333 D CA 0.204 54.184 54.000 -0.033 0.000 0.907 333 D CB 1.034 41.912 40.800 0.131 0.000 1.195 333 D HN 0.209 nan 8.370 nan 0.000 0.429 334 I N 0.398 120.904 120.570 -0.107 0.000 2.619 334 I HA 0.273 4.666 4.170 0.370 0.000 0.292 334 I C -0.743 175.442 176.117 0.114 0.000 1.100 334 I CA -1.078 60.174 61.300 -0.080 0.000 1.043 334 I CB 2.180 39.981 38.000 -0.332 0.000 1.239 334 I HN -0.095 nan 8.210 nan 0.000 0.420 335 V N 4.141 124.186 119.914 0.219 0.000 2.459 335 V HA 0.772 5.114 4.120 0.370 0.000 0.295 335 V C 0.147 176.433 176.094 0.320 0.000 1.029 335 V CA -0.510 61.967 62.300 0.294 0.000 0.874 335 V CB 1.603 33.515 31.823 0.147 0.000 0.985 335 V HN 0.844 nan 8.190 nan 0.000 0.438 336 A N 4.880 127.866 122.820 0.276 0.000 2.331 336 A HA 0.895 5.437 4.320 0.370 0.000 0.320 336 A C -1.248 176.490 177.584 0.257 0.000 1.138 336 A CA -0.524 51.619 52.037 0.176 0.000 0.790 336 A CB 1.322 20.261 19.000 -0.102 0.000 1.206 336 A HN 0.779 nan 8.150 nan 0.000 0.470 337 L N 2.329 123.689 121.223 0.228 0.000 2.376 337 L HA 0.820 5.382 4.340 0.370 0.000 0.275 337 L C 0.078 176.883 176.870 -0.109 0.000 0.987 337 L CA 0.077 54.977 54.840 0.101 0.000 0.828 337 L CB 1.686 43.904 42.059 0.265 0.000 1.249 337 L HN 0.870 nan 8.230 nan 0.000 0.409 338 G N 4.114 112.608 108.800 -0.511 0.000 2.620 338 G HA2 0.636 4.818 3.960 0.370 0.000 0.301 338 G HA3 0.636 4.818 3.960 0.370 0.000 0.301 338 G C -2.372 172.233 174.900 -0.492 0.000 1.347 338 G CA -0.542 44.147 45.100 -0.684 0.000 0.971 338 G HN 0.569 nan 8.290 nan 0.000 0.488 339 L N 1.714 122.796 121.223 -0.235 0.000 2.406 339 L HA 0.738 5.300 4.340 0.370 0.000 0.272 339 L C -1.056 175.798 176.870 -0.025 0.000 0.980 339 L CA -0.722 54.076 54.840 -0.070 0.000 0.831 339 L CB 2.224 44.275 42.059 -0.013 0.000 1.253 339 L HN 0.344 nan 8.230 nan 0.000 0.406 340 V N 5.291 125.235 119.914 0.050 0.000 2.482 340 V HA 0.340 4.682 4.120 0.370 0.000 0.295 340 V C -1.192 174.984 176.094 0.138 0.000 1.026 340 V CA -0.659 61.684 62.300 0.072 0.000 0.856 340 V CB 1.378 33.258 31.823 0.095 0.000 1.001 340 V HN 0.639 nan 8.190 nan 0.000 0.424 341 Y N 5.685 126.008 120.300 0.039 0.000 2.328 341 Y HA 0.673 5.443 4.550 0.366 0.000 0.337 341 Y C 0.116 176.077 175.900 0.102 0.000 1.008 341 Y CA -0.322 57.823 58.100 0.076 0.000 1.129 341 Y CB 1.290 39.790 38.460 0.067 0.000 1.185 341 Y HN 0.749 nan 8.280 nan 0.000 0.476 342 Q N 6.100 125.503 119.800 -0.662 0.000 2.421 342 Q HA 0.633 5.195 4.340 0.370 0.000 0.280 342 Q C -1.790 173.886 176.000 -0.539 0.000 1.085 342 Q CA -0.924 54.590 55.803 -0.483 0.000 0.807 342 Q CB 2.822 31.419 28.738 -0.234 0.000 1.405 342 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 4.744 4.527 0.362 0.000 0.279 343 F CA 0.000 57.929 58.000 -0.118 0.000 1.383 343 F CB 0.000 39.012 39.000 0.020 0.000 1.145 343 F HN 0.000 nan 8.300 nan 0.000 0.574