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 1m4y_1_C DATA FIRST_RESID 1 DATA SEQUENCE TTILVVRRNG QTVMGGDGQV TFGSTVLKGN ARKVRKLGEG KVLAGFAGSV DATA SEQUENCE ADAMTLFDRF EAKLREWGGN LTKAAVELAK DWRTDRVLRR LEALLLVADK DATA SEQUENCE ENIFIISGNG EVIQPDDDAA AIGSGGPYAL AAAKALLRNT DLSAREIVEK DATA SEQUENCE AMTIAGEICI YTNQNIVIEE V 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 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.707 174.700 0.011 0.000 1.109 1 T CA 0.000 62.114 62.100 0.023 0.000 1.349 1 T CB 0.000 68.854 68.868 -0.024 0.000 0.612 2 T N 2.909 117.460 114.554 -0.006 0.000 3.109 2 T HA 0.563 4.915 4.350 0.003 0.000 0.311 2 T C -1.193 173.491 174.700 -0.026 0.000 1.011 2 T CA -0.616 61.479 62.100 -0.009 0.000 1.026 2 T CB 0.654 69.535 68.868 0.022 0.000 1.047 2 T HN 0.416 nan 8.240 nan 0.000 0.448 3 I N 4.128 124.681 120.570 -0.029 0.000 2.418 3 I HA 0.564 4.735 4.170 0.003 0.000 0.287 3 I C -0.803 175.305 176.117 -0.014 0.000 1.008 3 I CA -0.926 60.358 61.300 -0.027 0.000 1.104 3 I CB 1.594 39.579 38.000 -0.025 0.000 1.264 3 I HN 0.489 nan 8.210 nan 0.000 0.438 4 L N 7.715 128.933 121.223 -0.009 0.000 2.386 4 L HA 0.750 5.091 4.340 0.003 0.000 0.271 4 L C -1.346 175.522 176.870 -0.004 0.000 0.993 4 L CA -0.530 54.306 54.840 -0.007 0.000 0.819 4 L CB 2.020 44.077 42.059 -0.002 0.000 1.294 4 L HN 0.370 nan 8.230 nan 0.000 0.414 5 V N 5.931 125.841 119.914 -0.007 0.000 2.604 5 V HA 0.819 4.941 4.120 0.003 0.000 0.305 5 V C -1.366 174.720 176.094 -0.013 0.000 1.043 5 V CA -0.323 61.972 62.300 -0.008 0.000 0.888 5 V CB 2.201 34.019 31.823 -0.009 0.000 0.995 5 V HN 0.616 nan 8.190 nan 0.000 0.429 6 V N 7.335 127.242 119.914 -0.011 0.000 2.638 6 V HA 0.638 4.759 4.120 0.003 0.000 0.306 6 V C -0.367 175.719 176.094 -0.013 0.000 1.052 6 V CA -0.784 61.508 62.300 -0.012 0.000 0.885 6 V CB 2.237 34.056 31.823 -0.007 0.000 0.999 6 V HN 0.901 nan 8.190 nan 0.000 0.424 7 R N 3.651 124.141 120.500 -0.018 0.000 2.387 7 R HA 0.818 5.159 4.340 0.003 0.000 0.314 7 R C -0.550 175.742 176.300 -0.013 0.000 0.958 7 R CA -0.787 55.303 56.100 -0.016 0.000 0.846 7 R CB 2.349 32.634 30.300 -0.025 0.000 1.147 7 R HN 0.675 nan 8.270 nan 0.000 0.447 8 R N 2.172 122.667 120.500 -0.008 0.000 2.536 8 R HA 0.118 4.460 4.340 0.003 0.000 0.269 8 R C -0.959 175.339 176.300 -0.004 0.000 1.113 8 R CA -0.517 55.579 56.100 -0.006 0.000 0.948 8 R CB 0.913 31.210 30.300 -0.005 0.000 1.237 8 R HN 0.723 nan 8.270 nan 0.000 0.441 9 N N 2.483 121.181 118.700 -0.003 0.000 2.735 9 N HA -0.195 4.547 4.740 0.003 0.000 0.248 9 N C 0.505 176.015 175.510 -0.001 0.000 1.083 9 N CA 1.739 54.788 53.050 -0.002 0.000 0.703 9 N CB -1.181 37.306 38.487 -0.001 0.000 1.005 9 N HN 1.109 nan 8.380 nan 0.000 0.550 10 G N -1.386 107.413 108.800 -0.001 0.000 2.162 10 G HA2 -0.366 3.595 3.960 0.003 0.000 0.260 10 G HA3 -0.366 3.595 3.960 0.003 0.000 0.260 10 G C -0.100 174.801 174.900 0.001 0.000 0.976 10 G CA 0.936 46.036 45.100 0.000 0.000 0.655 10 G HN 0.675 nan 8.290 nan 0.000 0.533 11 Q N 0.472 120.272 119.800 0.000 0.000 2.312 11 Q HA 0.713 5.054 4.340 0.003 0.000 0.263 11 Q C -0.412 175.588 176.000 -0.000 0.000 0.995 11 Q CA -0.164 55.640 55.803 0.001 0.000 0.853 11 Q CB 1.547 30.285 28.738 0.002 0.000 1.300 11 Q HN 0.152 nan 8.270 nan 0.000 0.448 12 T N 2.731 117.286 114.554 0.001 0.000 2.792 12 T HA 0.669 5.021 4.350 0.003 0.000 0.280 12 T C -1.131 173.570 174.700 0.002 0.000 0.990 12 T CA -0.513 61.587 62.100 -0.000 0.000 0.960 12 T CB 1.089 69.958 68.868 0.001 0.000 0.939 12 T HN 0.389 nan 8.240 nan 0.000 0.439 13 V N 4.228 124.142 119.914 0.000 0.000 2.656 13 V HA 0.617 4.738 4.120 0.003 0.000 0.307 13 V C -0.425 175.670 176.094 0.001 0.000 1.051 13 V CA -0.886 61.415 62.300 0.002 0.000 0.893 13 V CB 2.057 33.881 31.823 0.002 0.000 0.999 13 V HN 0.885 nan 8.190 nan 0.000 0.426 14 M N 3.270 122.872 119.600 0.003 0.000 2.326 14 M HA 0.804 5.286 4.480 0.003 0.000 0.306 14 M C -0.285 176.017 176.300 0.003 0.000 1.054 14 M CA -0.267 55.035 55.300 0.003 0.000 0.922 14 M CB 1.938 34.543 32.600 0.007 0.000 1.632 14 M HN 0.836 nan 8.290 nan 0.000 0.436 15 G N 1.846 110.646 108.800 -0.000 0.000 2.524 15 G HA2 0.814 4.775 3.960 0.003 0.000 0.310 15 G HA3 0.814 4.775 3.960 0.003 0.000 0.310 15 G C -1.287 173.606 174.900 -0.012 0.000 1.279 15 G CA -0.783 44.316 45.100 -0.003 0.000 0.974 15 G HN 0.910 nan 8.290 nan 0.000 0.484 16 G N 0.598 109.386 108.800 -0.019 0.000 2.667 16 G HA2 0.569 4.530 3.960 0.003 0.000 0.298 16 G HA3 0.569 4.530 3.960 0.003 0.000 0.298 16 G C -0.721 174.159 174.900 -0.033 0.000 1.377 16 G CA -0.588 44.487 45.100 -0.040 0.000 0.964 16 G HN 0.749 nan 8.290 nan 0.000 0.493 17 D N -0.248 120.134 120.400 -0.030 0.000 2.433 17 D HA 0.413 5.055 4.640 0.003 0.000 0.255 17 D C 0.888 177.174 176.300 -0.023 0.000 1.226 17 D CA 0.021 54.013 54.000 -0.013 0.000 1.015 17 D CB 1.796 42.599 40.800 0.006 0.000 1.091 17 D HN 0.555 nan 8.370 nan 0.000 0.527 18 G N -1.209 107.589 108.800 -0.004 0.000 3.596 18 G HA2 0.004 3.965 3.960 0.003 0.000 0.274 18 G HA3 0.004 3.965 3.960 0.003 0.000 0.274 18 G C 0.403 175.312 174.900 0.014 0.000 1.007 18 G CA -0.290 44.809 45.100 -0.002 0.000 0.825 18 G HN 0.512 nan 8.290 nan 0.000 0.508 19 Q N 0.983 120.798 119.800 0.024 0.000 2.304 19 Q HA 0.464 4.806 4.340 0.003 0.000 0.260 19 Q C -1.059 174.976 176.000 0.058 0.000 0.965 19 Q CA -0.048 55.783 55.803 0.047 0.000 0.898 19 Q CB 1.383 30.158 28.738 0.062 0.000 1.196 19 Q HN 0.005 nan 8.270 nan 0.000 0.402 20 V N 3.918 123.876 119.914 0.072 0.000 2.444 20 V HA 0.390 4.512 4.120 0.003 0.000 0.294 20 V C -0.556 175.612 176.094 0.122 0.000 1.022 20 V CA -0.626 61.727 62.300 0.088 0.000 0.850 20 V CB 1.939 33.808 31.823 0.076 0.000 0.992 20 V HN 0.838 nan 8.190 nan 0.000 0.426 21 T N 5.347 119.994 114.554 0.155 0.000 2.829 21 T HA 0.607 4.959 4.350 0.003 0.000 0.280 21 T C -1.042 173.800 174.700 0.237 0.000 0.999 21 T CA -0.283 61.936 62.100 0.197 0.000 0.983 21 T CB 1.507 70.534 68.868 0.265 0.000 0.968 21 T HN 0.439 nan 8.240 nan 0.000 0.446 22 F N 2.765 122.762 119.950 0.078 0.000 2.496 22 F HA 0.576 5.105 4.527 0.002 0.000 0.341 22 F C 0.823 176.663 175.800 0.068 0.000 1.134 22 F CA 0.195 58.231 58.000 0.060 0.000 0.968 22 F CB 0.237 39.263 39.000 0.043 0.000 1.205 22 F HN 0.879 nan 8.300 nan 0.000 0.436 23 G N 3.923 112.447 108.800 -0.460 0.000 2.574 23 G HA2 -0.323 3.638 3.960 0.003 0.000 0.301 23 G HA3 -0.323 3.638 3.960 0.003 0.000 0.301 23 G C 0.719 175.572 174.900 -0.078 0.000 1.166 23 G CA 0.376 45.256 45.100 -0.368 0.000 0.971 23 G HN 0.814 nan 8.290 nan 0.000 0.542 24 S N 1.082 116.749 115.700 -0.055 0.000 2.578 24 S HA 0.455 4.926 4.470 0.003 0.000 0.231 24 S C 0.576 175.188 174.600 0.020 0.000 0.994 24 S CA 1.038 59.236 58.200 -0.004 0.000 0.956 24 S CB 0.494 63.681 63.200 -0.021 0.000 0.870 24 S HN 1.421 nan 8.310 nan 0.000 0.494 25 T N -0.333 114.257 114.554 0.060 0.000 2.823 25 T HA 0.643 4.994 4.350 0.003 0.000 0.279 25 T C -0.227 174.541 174.700 0.114 0.000 0.998 25 T CA -0.656 61.495 62.100 0.086 0.000 0.994 25 T CB 1.444 70.381 68.868 0.115 0.000 0.960 25 T HN -0.144 nan 8.240 nan 0.000 0.448 26 V N 5.147 125.109 119.914 0.080 0.000 2.470 26 V HA 0.175 4.297 4.120 0.003 0.000 0.276 26 V C 1.211 177.355 176.094 0.083 0.000 1.040 26 V CA -0.204 62.145 62.300 0.081 0.000 1.008 26 V CB 0.321 32.174 31.823 0.050 0.000 0.990 26 V HN 0.903 nan 8.190 nan 0.000 0.477 27 L N 3.584 124.864 121.223 0.094 0.000 2.354 27 L HA 0.306 4.648 4.340 0.003 0.000 0.212 27 L C 0.960 177.859 176.870 0.050 0.000 1.091 27 L CA 0.691 55.574 54.840 0.072 0.000 0.828 27 L CB 0.130 42.235 42.059 0.076 0.000 0.973 27 L HN 0.614 nan 8.230 nan 0.000 0.461 28 K N -0.958 119.473 120.400 0.052 0.000 2.557 28 K HA 0.366 4.687 4.320 0.003 0.000 0.261 28 K C -0.252 176.372 176.600 0.039 0.000 0.932 28 K CA -0.167 56.144 56.287 0.040 0.000 0.829 28 K CB 1.946 34.470 32.500 0.040 0.000 1.358 28 K HN -0.116 nan 8.250 nan 0.000 0.430 29 G N 1.763 110.581 108.800 0.031 0.000 3.228 29 G HA2 0.024 3.986 3.960 0.003 0.000 0.245 29 G HA3 0.024 3.986 3.960 0.003 0.000 0.245 29 G C -0.023 174.890 174.900 0.022 0.000 1.051 29 G CA -0.169 44.947 45.100 0.027 0.000 0.809 29 G HN 0.673 nan 8.290 nan 0.000 0.531 30 N N 0.561 119.275 118.700 0.023 0.000 2.480 30 N HA 0.387 5.129 4.740 0.003 0.000 0.281 30 N C 0.326 175.849 175.510 0.022 0.000 1.381 30 N CA -0.296 52.766 53.050 0.020 0.000 0.903 30 N CB 0.439 38.938 38.487 0.020 0.000 1.274 30 N HN 0.092 nan 8.380 nan 0.000 0.505 31 A N 0.902 123.734 122.820 0.020 0.000 2.445 31 A HA 0.303 4.625 4.320 0.003 0.000 0.242 31 A C 0.300 177.889 177.584 0.010 0.000 1.075 31 A CA -0.428 51.623 52.037 0.023 0.000 0.777 31 A CB 0.368 19.378 19.000 0.016 0.000 1.013 31 A HN 0.471 nan 8.150 nan 0.000 0.493 32 R N 1.458 121.979 120.500 0.035 0.000 2.247 32 R HA 0.300 4.642 4.340 0.003 0.000 0.329 32 R C -0.209 176.102 176.300 0.019 0.000 1.014 32 R CA -0.226 55.897 56.100 0.038 0.000 0.907 32 R CB 0.267 30.614 30.300 0.079 0.000 1.146 32 R HN 0.771 nan 8.270 nan 0.000 0.499 33 K N 2.143 122.470 120.400 -0.121 0.000 2.372 33 K HA 0.185 4.506 4.320 0.003 0.000 0.200 33 K C -0.491 176.001 176.600 -0.180 0.000 1.022 33 K CA -0.018 56.004 56.287 -0.442 0.000 1.125 33 K CB 1.253 33.409 32.500 -0.574 0.000 0.855 33 K HN 0.198 nan 8.250 nan 0.000 0.524 34 V N 2.128 122.059 119.914 0.028 0.000 2.656 34 V HA 0.436 4.557 4.120 0.003 0.000 0.307 34 V C -0.364 175.800 176.094 0.117 0.000 1.051 34 V CA -0.996 61.354 62.300 0.084 0.000 0.893 34 V CB 1.836 33.675 31.823 0.026 0.000 0.999 34 V HN 0.160 nan 8.190 nan 0.000 0.426 35 R N 2.787 123.345 120.500 0.098 0.000 2.885 35 R HA 0.672 5.013 4.340 0.003 0.000 0.260 35 R C -1.283 175.000 176.300 -0.029 0.000 1.107 35 R CA -1.073 55.057 56.100 0.049 0.000 0.978 35 R CB 1.982 32.327 30.300 0.075 0.000 1.227 35 R HN 0.513 nan 8.270 nan 0.000 0.473 36 K N 1.130 121.512 120.400 -0.030 0.000 2.345 36 K HA 0.599 4.920 4.320 0.003 0.000 0.255 36 K C -0.508 176.062 176.600 -0.051 0.000 0.934 36 K CA -0.478 55.788 56.287 -0.035 0.000 0.801 36 K CB 1.756 34.252 32.500 -0.007 0.000 1.137 36 K HN 0.319 nan 8.250 nan 0.000 0.424 37 L N -0.427 120.766 121.223 -0.050 0.000 2.183 37 L HA 0.543 4.885 4.340 0.003 0.000 0.253 37 L C 0.712 177.580 176.870 -0.004 0.000 1.048 37 L CA -1.121 53.700 54.840 -0.032 0.000 0.890 37 L CB 1.429 43.468 42.059 -0.033 0.000 1.476 37 L HN 0.867 nan 8.230 nan 0.000 0.455 38 G N 0.421 109.214 108.800 -0.012 0.000 2.371 38 G HA2 -0.279 3.682 3.960 0.003 0.000 0.299 38 G HA3 -0.279 3.682 3.960 0.003 0.000 0.299 38 G C 0.274 175.167 174.900 -0.012 0.000 1.014 38 G CA 0.903 45.988 45.100 -0.024 0.000 1.097 38 G HN 0.832 nan 8.290 nan 0.000 0.512 39 E N -2.548 117.646 120.200 -0.010 0.000 2.389 39 E HA -0.202 4.149 4.350 0.003 0.000 0.243 39 E C 1.651 178.250 176.600 -0.000 0.000 1.154 39 E CA 1.130 57.527 56.400 -0.005 0.000 0.723 39 E CB -1.493 28.202 29.700 -0.008 0.000 1.261 39 E HN 2.332 nan 8.360 nan 0.000 0.390 40 G N -0.052 108.749 108.800 0.001 0.000 2.168 40 G HA2 -0.406 3.556 3.960 0.003 0.000 0.263 40 G HA3 -0.406 3.556 3.960 0.003 0.000 0.263 40 G C 0.694 175.599 174.900 0.008 0.000 0.977 40 G CA 0.924 46.027 45.100 0.004 0.000 0.659 40 G HN 0.387 nan 8.290 nan 0.000 0.533 41 K N -0.892 119.515 120.400 0.012 0.000 2.367 41 K HA 0.410 4.731 4.320 0.003 0.000 0.194 41 K C 0.429 177.049 176.600 0.034 0.000 1.027 41 K CA 0.396 56.695 56.287 0.020 0.000 1.075 41 K CB 1.086 33.596 32.500 0.018 0.000 0.845 41 K HN 0.281 nan 8.250 nan 0.000 0.529 42 V N 2.031 121.968 119.914 0.037 0.000 2.656 42 V HA 0.339 4.461 4.120 0.003 0.000 0.307 42 V C -0.540 175.572 176.094 0.030 0.000 1.051 42 V CA -0.926 61.414 62.300 0.066 0.000 0.893 42 V CB 2.120 34.022 31.823 0.132 0.000 0.999 42 V HN 0.067 nan 8.190 nan 0.000 0.426 43 L N 3.716 124.956 121.223 0.028 0.000 2.307 43 L HA 0.879 5.220 4.340 0.003 0.000 0.282 43 L C 0.136 176.984 176.870 -0.038 0.000 1.051 43 L CA -0.385 54.452 54.840 -0.005 0.000 0.804 43 L CB 1.669 43.733 42.059 0.008 0.000 1.197 43 L HN 0.775 nan 8.230 nan 0.000 0.431 44 A N 2.138 124.898 122.820 -0.101 0.000 2.381 44 A HA 0.818 5.139 4.320 0.003 0.000 0.299 44 A C -0.388 177.221 177.584 0.042 0.000 1.049 44 A CA -0.310 51.620 52.037 -0.177 0.000 0.715 44 A CB 1.632 20.199 19.000 -0.723 0.000 1.222 44 A HN 0.752 nan 8.150 nan 0.000 0.428 45 G N 0.551 109.470 108.800 0.199 0.000 2.533 45 G HA2 0.866 4.827 3.960 0.003 0.000 0.304 45 G HA3 0.866 4.827 3.960 0.003 0.000 0.304 45 G C -0.978 174.173 174.900 0.418 0.000 1.263 45 G CA -0.639 44.618 45.100 0.261 0.000 0.964 45 G HN 1.535 nan 8.290 nan 0.000 0.479 46 F N -1.049 119.009 119.950 0.179 0.000 2.631 46 F HA 0.832 5.362 4.527 0.004 0.000 0.308 46 F C -0.396 175.439 175.800 0.058 0.000 1.097 46 F CA -1.968 56.097 58.000 0.108 0.000 0.952 46 F CB 1.841 40.856 39.000 0.025 0.000 1.307 46 F HN 0.728 nan 8.300 nan 0.000 0.450 47 A N 2.236 125.146 122.820 0.151 0.000 2.293 47 A HA 0.919 5.240 4.320 0.003 0.000 0.312 47 A C 0.084 177.787 177.584 0.197 0.000 1.309 47 A CA 0.075 52.151 52.037 0.064 0.000 0.839 47 A CB -0.028 18.993 19.000 0.035 0.000 1.155 47 A HN 2.248 nan 8.150 nan 0.000 0.501 48 G N 0.473 109.427 108.800 0.258 0.000 2.350 48 G HA2 0.489 4.451 3.960 0.003 0.000 0.282 48 G HA3 0.489 4.451 3.960 0.003 0.000 0.282 48 G C -0.213 174.872 174.900 0.309 0.000 1.314 48 G CA -0.098 45.148 45.100 0.243 0.000 0.915 48 G HN 1.728 nan 8.290 nan 0.000 0.499 49 S N -0.607 115.177 115.700 0.140 0.000 2.580 49 S HA 0.468 4.940 4.470 0.003 0.000 0.274 49 S C 1.585 176.141 174.600 -0.073 0.000 1.329 49 S CA 0.233 58.480 58.200 0.078 0.000 1.036 49 S CB 1.580 64.790 63.200 0.016 0.000 0.919 49 S HN 1.418 nan 8.310 nan 0.000 0.515 50 V N 2.780 122.673 119.914 -0.035 0.000 2.282 50 V HA -0.228 3.893 4.120 0.003 0.000 0.249 50 V C 2.981 178.909 176.094 -0.277 0.000 1.057 50 V CA 2.518 64.714 62.300 -0.174 0.000 1.032 50 V CB -1.786 30.026 31.823 -0.018 0.000 0.645 50 V HN 1.046 nan 8.190 nan 0.000 0.447 51 A N -0.157 122.560 122.820 -0.171 0.000 1.902 51 A HA -0.262 4.060 4.320 0.003 0.000 0.217 51 A C 1.955 179.395 177.584 -0.239 0.000 1.181 51 A CA 2.189 54.125 52.037 -0.168 0.000 0.623 51 A CB -0.695 18.244 19.000 -0.101 0.000 0.818 51 A HN 0.555 nan 8.150 nan 0.000 0.443 52 D N 0.003 120.255 120.400 -0.247 0.000 2.084 52 D HA -0.029 4.613 4.640 0.003 0.000 0.194 52 D C 2.292 178.291 176.300 -0.502 0.000 0.990 52 D CA 1.688 55.516 54.000 -0.287 0.000 0.826 52 D CB -0.448 40.245 40.800 -0.178 0.000 0.971 52 D HN 0.404 nan 8.370 nan 0.000 0.453 53 A N 0.531 122.912 122.820 -0.732 0.000 1.865 53 A HA -0.228 4.093 4.320 0.003 0.000 0.217 53 A C 2.256 179.146 177.584 -1.157 0.000 1.191 53 A CA 1.813 53.089 52.037 -1.268 0.000 0.623 53 A CB -0.691 17.012 19.000 -2.162 0.000 0.826 53 A HN 0.169 nan 8.150 nan 0.000 0.444 54 M N -0.871 118.323 119.600 -0.676 0.000 2.108 54 M HA -0.146 4.336 4.480 0.003 0.000 0.261 54 M C 2.261 178.421 176.300 -0.234 0.000 1.066 54 M CA 2.071 57.179 55.300 -0.320 0.000 1.107 54 M CB -0.800 31.690 32.600 -0.183 0.000 1.356 54 M HN 0.462 nan 8.290 nan 0.000 0.406 55 T N 1.187 115.576 114.554 -0.273 0.000 2.746 55 T HA -0.102 4.250 4.350 0.003 0.000 0.267 55 T C 1.818 176.376 174.700 -0.236 0.000 1.039 55 T CA 1.162 63.136 62.100 -0.210 0.000 1.142 55 T CB -0.316 68.426 68.868 -0.210 0.000 0.866 55 T HN 0.303 nan 8.240 nan 0.000 0.444 56 L N -0.332 120.656 121.223 -0.393 0.000 2.072 56 L HA 0.005 4.347 4.340 0.003 0.000 0.205 56 L C 2.357 179.180 176.870 -0.078 0.000 1.079 56 L CA 1.051 55.643 54.840 -0.413 0.000 0.752 56 L CB -0.521 41.103 42.059 -0.725 0.000 0.906 56 L HN 0.176 nan 8.230 nan 0.000 0.436 57 F N 0.484 120.353 119.950 -0.134 0.000 2.171 57 F HA -0.216 4.313 4.527 0.003 0.000 0.300 57 F C 2.383 178.215 175.800 0.053 0.000 1.090 57 F CA 0.798 58.801 58.000 0.005 0.000 1.293 57 F CB -0.980 38.009 39.000 -0.019 0.000 1.013 57 F HN 0.165 nan 8.300 nan 0.000 0.486 58 D N -0.279 120.222 120.400 0.169 0.000 2.117 58 D HA -0.169 4.472 4.640 0.003 0.000 0.197 58 D C 2.391 178.738 176.300 0.078 0.000 0.987 58 D CA 1.055 55.109 54.000 0.091 0.000 0.829 58 D CB -0.299 40.516 40.800 0.025 0.000 0.961 58 D HN 0.070 nan 8.370 nan 0.000 0.460 59 R N 0.041 120.579 120.500 0.064 0.000 2.092 59 R HA -0.086 4.255 4.340 0.003 0.000 0.231 59 R C 2.024 178.407 176.300 0.138 0.000 1.119 59 R CA 0.704 56.842 56.100 0.063 0.000 0.970 59 R CB -0.951 29.358 30.300 0.015 0.000 0.864 59 R HN 0.119 nan 8.270 nan 0.000 0.440 60 F N 1.524 121.498 119.950 0.040 0.000 2.134 60 F HA -0.095 4.433 4.527 0.001 0.000 0.299 60 F C 1.858 177.693 175.800 0.057 0.000 1.097 60 F CA 1.561 59.599 58.000 0.065 0.000 1.264 60 F CB -0.155 38.907 39.000 0.103 0.000 1.001 60 F HN 0.055 nan 8.300 nan 0.000 0.479 61 E N 0.478 120.691 120.200 0.022 0.000 2.058 61 E HA -0.243 4.108 4.350 0.003 0.000 0.194 61 E C 2.429 178.966 176.600 -0.105 0.000 0.997 61 E CA 1.321 57.673 56.400 -0.081 0.000 0.801 61 E CB -0.872 28.831 29.700 0.005 0.000 0.746 61 E HN 0.465 nan 8.360 nan 0.000 0.450 62 A N 1.871 124.665 122.820 -0.043 0.000 1.902 62 A HA -0.192 4.129 4.320 0.003 0.000 0.217 62 A C 2.051 179.613 177.584 -0.038 0.000 1.181 62 A CA 1.438 53.453 52.037 -0.036 0.000 0.623 62 A CB -0.250 18.747 19.000 -0.005 0.000 0.818 62 A HN 0.018 nan 8.150 nan 0.000 0.443 63 K N -0.133 120.256 120.400 -0.018 0.000 2.097 63 K HA -0.040 4.282 4.320 0.003 0.000 0.206 63 K C 1.892 178.521 176.600 0.048 0.000 1.049 63 K CA 1.033 57.375 56.287 0.093 0.000 0.933 63 K CB -0.703 31.847 32.500 0.082 0.000 0.717 63 K HN 0.561 nan 8.250 nan 0.000 0.442 64 L N 0.527 121.624 121.223 -0.210 0.000 2.017 64 L HA -0.175 4.167 4.340 0.003 0.000 0.208 64 L C 2.642 179.464 176.870 -0.081 0.000 1.073 64 L CA 1.355 56.074 54.840 -0.202 0.000 0.745 64 L CB -0.316 41.540 42.059 -0.338 0.000 0.894 64 L HN 0.170 nan 8.230 nan 0.000 0.432 65 R N -0.222 120.221 120.500 -0.095 0.000 2.073 65 R HA -0.210 4.132 4.340 0.003 0.000 0.234 65 R C 2.203 178.429 176.300 -0.123 0.000 1.134 65 R CA 1.591 57.639 56.100 -0.088 0.000 0.952 65 R CB -0.421 29.829 30.300 -0.084 0.000 0.850 65 R HN 0.392 nan 8.270 nan 0.000 0.433 66 E N 0.264 120.359 120.200 -0.174 0.000 2.085 66 E HA -0.196 4.156 4.350 0.003 0.000 0.194 66 E C 0.344 176.599 176.600 -0.574 0.000 0.994 66 E CA 1.144 57.304 56.400 -0.400 0.000 0.801 66 E CB 0.033 29.437 29.700 -0.494 0.000 0.743 66 E HN 0.398 nan 8.360 nan 0.000 0.453 67 W N 0.357 121.619 121.300 -0.065 0.000 2.987 67 W HA 0.406 5.066 4.660 0.000 0.000 0.441 67 W C 0.764 177.254 176.519 -0.047 0.000 0.853 67 W CA 0.069 57.383 57.345 -0.051 0.000 2.222 67 W CB 0.402 29.831 29.460 -0.052 0.000 1.139 67 W HN 0.167 nan 8.180 nan 0.000 0.819 68 G N 0.862 109.687 108.800 0.042 0.000 2.390 68 G HA2 -0.090 3.872 3.960 0.003 0.000 0.299 68 G HA3 -0.090 3.872 3.960 0.003 0.000 0.299 68 G C 1.197 176.122 174.900 0.042 0.000 1.002 68 G CA 0.514 45.631 45.100 0.028 0.000 0.979 68 G HN 1.201 nan 8.290 nan 0.000 0.513 69 G N -0.942 107.876 108.800 0.031 0.000 2.184 69 G HA2 -0.355 3.606 3.960 0.003 0.000 0.264 69 G HA3 -0.355 3.606 3.960 0.003 0.000 0.264 69 G C 0.437 175.366 174.900 0.047 0.000 0.975 69 G CA 0.737 45.848 45.100 0.018 0.000 0.642 69 G HN 1.475 nan 8.290 nan 0.000 0.536 70 N N 0.771 119.520 118.700 0.082 0.000 2.400 70 N HA 0.223 4.964 4.740 0.003 0.000 0.267 70 N C 1.607 177.157 175.510 0.067 0.000 1.208 70 N CA 0.082 53.184 53.050 0.086 0.000 0.951 70 N CB 0.595 39.143 38.487 0.101 0.000 1.227 70 N HN 0.249 nan 8.380 nan 0.000 0.488 71 L N 4.194 125.485 121.223 0.114 0.000 2.042 71 L HA -0.167 4.174 4.340 0.003 0.000 0.210 71 L C 1.998 178.923 176.870 0.092 0.000 1.076 71 L CA 1.847 56.800 54.840 0.188 0.000 0.749 71 L CB -0.734 41.519 42.059 0.324 0.000 0.893 71 L HN 0.516 nan 8.230 nan 0.000 0.432 72 T N -0.810 113.791 114.554 0.078 0.000 2.708 72 T HA -0.186 4.166 4.350 0.003 0.000 0.266 72 T C 1.993 176.519 174.700 -0.289 0.000 1.037 72 T CA 1.319 63.304 62.100 -0.191 0.000 1.146 72 T CB -0.182 68.724 68.868 0.064 0.000 0.865 72 T HN 0.124 nan 8.240 nan 0.000 0.435 73 K N 1.298 121.580 120.400 -0.198 0.000 2.025 73 K HA 0.137 4.458 4.320 0.003 0.000 0.207 73 K C 2.552 178.916 176.600 -0.393 0.000 1.049 73 K CA 1.382 57.452 56.287 -0.363 0.000 0.933 73 K CB -0.804 31.472 32.500 -0.373 0.000 0.714 73 K HN 0.315 nan 8.250 nan 0.000 0.438 74 A N 0.976 123.683 122.820 -0.188 0.000 1.908 74 A HA -0.133 4.188 4.320 0.003 0.000 0.218 74 A C 2.362 180.004 177.584 0.097 0.000 1.181 74 A CA 2.301 54.296 52.037 -0.070 0.000 0.627 74 A CB -0.668 18.232 19.000 -0.166 0.000 0.818 74 A HN 0.358 nan 8.150 nan 0.000 0.445 75 A N -0.654 122.218 122.820 0.087 0.000 1.877 75 A HA 0.009 4.331 4.320 0.003 0.000 0.216 75 A C 2.246 179.786 177.584 -0.075 0.000 1.186 75 A CA 1.779 53.841 52.037 0.042 0.000 0.620 75 A CB -0.957 17.823 19.000 -0.367 0.000 0.822 75 A HN 0.389 nan 8.150 nan 0.000 0.443 76 V N 0.328 120.117 119.914 -0.209 0.000 2.295 76 V HA -0.214 3.908 4.120 0.003 0.000 0.246 76 V C 2.582 178.613 176.094 -0.105 0.000 1.049 76 V CA 2.159 64.355 62.300 -0.174 0.000 1.024 76 V CB -0.717 30.965 31.823 -0.233 0.000 0.648 76 V HN 0.509 nan 8.190 nan 0.000 0.447 77 E N -0.166 119.946 120.200 -0.147 0.000 2.110 77 E HA -0.196 4.155 4.350 0.003 0.000 0.193 77 E C 2.075 178.715 176.600 0.066 0.000 0.988 77 E CA 1.066 57.426 56.400 -0.067 0.000 0.804 77 E CB -0.453 29.182 29.700 -0.109 0.000 0.745 77 E HN 0.503 nan 8.360 nan 0.000 0.458 78 L N 0.861 122.160 121.223 0.126 0.000 2.046 78 L HA -0.064 4.277 4.340 0.003 0.000 0.208 78 L C 2.185 179.195 176.870 0.233 0.000 1.077 78 L CA 2.082 57.044 54.840 0.203 0.000 0.747 78 L CB -0.665 41.581 42.059 0.311 0.000 0.896 78 L HN 0.034 nan 8.230 nan 0.000 0.432 79 A N -0.547 122.391 122.820 0.197 0.000 1.933 79 A HA -0.229 4.092 4.320 0.003 0.000 0.218 79 A C 2.333 180.004 177.584 0.145 0.000 1.175 79 A CA 1.983 54.138 52.037 0.197 0.000 0.628 79 A CB -0.516 18.525 19.000 0.068 0.000 0.814 79 A HN 0.539 nan 8.150 nan 0.000 0.444 80 K N -0.549 119.905 120.400 0.090 0.000 2.057 80 K HA -0.140 4.182 4.320 0.003 0.000 0.206 80 K C 1.598 178.261 176.600 0.105 0.000 1.050 80 K CA 1.540 57.867 56.287 0.066 0.000 0.935 80 K CB -0.266 32.254 32.500 0.033 0.000 0.715 80 K HN 0.378 nan 8.250 nan 0.000 0.439 81 D N 0.053 120.532 120.400 0.132 0.000 2.097 81 D HA -0.191 4.451 4.640 0.003 0.000 0.195 81 D C 1.422 177.839 176.300 0.195 0.000 0.989 81 D CA 0.677 54.757 54.000 0.133 0.000 0.827 81 D CB -0.227 40.641 40.800 0.113 0.000 0.966 81 D HN 0.251 nan 8.370 nan 0.000 0.456 82 W N 1.650 122.959 121.300 0.016 0.000 2.331 82 W HA -0.153 4.507 4.660 -0.000 0.000 0.291 82 W C 2.207 178.726 176.519 -0.001 0.000 1.214 82 W CA 1.047 58.395 57.345 0.005 0.000 1.228 82 W CB -0.355 29.105 29.460 0.001 0.000 1.135 82 W HN -0.095 nan 8.180 nan 0.000 0.537 83 R N -0.136 120.494 120.500 0.216 0.000 2.140 83 R HA -0.043 4.299 4.340 0.003 0.000 0.213 83 R C 2.525 178.869 176.300 0.072 0.000 1.059 83 R CA 2.370 58.515 56.100 0.075 0.000 1.000 83 R CB -0.696 29.614 30.300 0.016 0.000 0.910 83 R HN 0.198 nan 8.270 nan 0.000 0.455 84 T N -3.184 111.421 114.554 0.086 0.000 3.004 84 T HA 0.077 4.429 4.350 0.003 0.000 0.243 84 T C 0.533 175.272 174.700 0.065 0.000 1.020 84 T CA 0.108 62.245 62.100 0.062 0.000 1.145 84 T CB -0.463 68.437 68.868 0.052 0.000 0.876 84 T HN 0.116 nan 8.240 nan 0.000 0.449 85 D N 1.357 121.804 120.400 0.077 0.000 2.472 85 D HA 0.064 4.705 4.640 0.003 0.000 0.248 85 D C 1.439 177.776 176.300 0.061 0.000 1.174 85 D CA -0.101 53.936 54.000 0.061 0.000 0.883 85 D CB 0.681 41.514 40.800 0.056 0.000 1.149 85 D HN -0.010 nan 8.370 nan 0.000 0.488 86 R N 2.940 123.465 120.500 0.042 0.000 2.152 86 R HA -0.078 4.263 4.340 0.003 0.000 0.232 86 R C 1.584 177.905 176.300 0.035 0.000 1.117 86 R CA 0.577 56.699 56.100 0.038 0.000 0.981 86 R CB -0.338 29.977 30.300 0.025 0.000 0.870 86 R HN 0.431 nan 8.270 nan 0.000 0.451 87 V N 1.078 121.006 119.914 0.025 0.000 2.302 87 V HA -0.163 3.959 4.120 0.003 0.000 0.243 87 V C 2.412 178.511 176.094 0.008 0.000 1.036 87 V CA 1.329 63.634 62.300 0.008 0.000 1.020 87 V CB -0.429 31.389 31.823 -0.009 0.000 0.657 87 V HN 0.183 nan 8.190 nan 0.000 0.453 88 L N -0.183 121.046 121.223 0.010 0.000 2.141 88 L HA -0.105 4.237 4.340 0.003 0.000 0.209 88 L C 2.628 179.597 176.870 0.166 0.000 1.094 88 L CA 1.309 56.143 54.840 -0.011 0.000 0.763 88 L CB -0.637 41.385 42.059 -0.062 0.000 0.908 88 L HN 0.248 nan 8.230 nan 0.000 0.437 89 R N 0.754 121.366 120.500 0.186 0.000 2.249 89 R HA -0.141 4.201 4.340 0.003 0.000 0.230 89 R C 2.137 178.533 176.300 0.161 0.000 1.121 89 R CA 1.059 57.282 56.100 0.205 0.000 0.997 89 R CB 0.026 30.394 30.300 0.113 0.000 0.867 89 R HN 0.373 nan 8.270 nan 0.000 0.465 90 R N -0.698 119.873 120.500 0.119 0.000 2.254 90 R HA 0.081 4.422 4.340 0.003 0.000 0.195 90 R C -0.174 176.189 176.300 0.105 0.000 0.957 90 R CA -0.121 56.029 56.100 0.084 0.000 1.024 90 R CB 0.170 30.496 30.300 0.043 0.000 0.952 90 R HN -0.013 nan 8.270 nan 0.000 0.484 91 L N 1.988 123.296 121.223 0.142 0.000 2.410 91 L HA 0.032 4.374 4.340 0.003 0.000 0.273 91 L C 0.803 177.867 176.870 0.324 0.000 1.152 91 L CA 0.918 55.840 54.840 0.137 0.000 0.855 91 L CB 0.730 42.764 42.059 -0.041 0.000 1.129 91 L HN 0.126 nan 8.230 nan 0.000 0.463 92 E N 1.835 122.161 120.200 0.211 0.000 2.583 92 E HA 0.311 4.662 4.350 0.003 0.000 0.213 92 E C 0.248 176.977 176.600 0.215 0.000 0.989 92 E CA -0.271 56.252 56.400 0.205 0.000 0.991 92 E CB 0.656 30.414 29.700 0.097 0.000 1.040 92 E HN 0.708 nan 8.360 nan 0.000 0.481 93 A N 1.364 124.330 122.820 0.244 0.000 2.386 93 A HA 0.320 4.642 4.320 0.003 0.000 0.246 93 A C -0.284 177.497 177.584 0.329 0.000 1.089 93 A CA -0.270 51.896 52.037 0.215 0.000 0.790 93 A CB 0.332 19.391 19.000 0.099 0.000 1.042 93 A HN 0.208 nan 8.150 nan 0.000 0.497 94 L N 1.079 122.447 121.223 0.242 0.000 2.322 94 L HA 0.645 4.987 4.340 0.003 0.000 0.281 94 L C -0.727 176.297 176.870 0.256 0.000 1.014 94 L CA -0.112 54.857 54.840 0.216 0.000 0.815 94 L CB 1.068 43.185 42.059 0.097 0.000 1.247 94 L HN 0.604 nan 8.230 nan 0.000 0.421 95 L N 5.113 126.508 121.223 0.287 0.000 2.330 95 L HA 0.629 4.970 4.340 0.003 0.000 0.271 95 L C -1.157 175.821 176.870 0.179 0.000 1.013 95 L CA -0.975 54.023 54.840 0.263 0.000 0.816 95 L CB 1.913 44.133 42.059 0.269 0.000 1.287 95 L HN 0.510 nan 8.230 nan 0.000 0.435 96 L N 3.312 124.633 121.223 0.165 0.000 2.491 96 L HA 0.633 4.974 4.340 0.003 0.000 0.267 96 L C -0.737 176.174 176.870 0.069 0.000 0.971 96 L CA -0.381 54.520 54.840 0.101 0.000 0.857 96 L CB 1.836 43.940 42.059 0.075 0.000 1.226 96 L HN 0.373 nan 8.230 nan 0.000 0.408 97 V N 2.107 122.048 119.914 0.046 0.000 2.914 97 V HA 1.111 5.233 4.120 0.003 0.000 0.314 97 V C -0.470 175.676 176.094 0.087 0.000 1.084 97 V CA -0.034 62.278 62.300 0.019 0.000 0.963 97 V CB 1.410 33.162 31.823 -0.119 0.000 1.025 97 V HN 1.239 nan 8.190 nan 0.000 0.432 98 A N 2.515 125.387 122.820 0.086 0.000 2.608 98 A HA 0.861 5.183 4.320 0.003 0.000 0.292 98 A C -1.296 176.337 177.584 0.081 0.000 1.066 98 A CA -0.022 52.060 52.037 0.075 0.000 0.676 98 A CB 1.828 20.837 19.000 0.014 0.000 1.277 98 A HN 1.412 nan 8.150 nan 0.000 0.413 99 D N -0.060 120.384 120.400 0.073 0.000 2.846 99 D HA 0.378 5.019 4.640 0.003 0.000 0.273 99 D C 0.532 176.851 176.300 0.032 0.000 1.145 99 D CA -0.405 53.632 54.000 0.062 0.000 1.091 99 D CB 0.212 41.063 40.800 0.085 0.000 1.364 99 D HN 0.315 nan 8.370 nan 0.000 0.613 100 K N -0.707 119.710 120.400 0.029 0.000 2.209 100 K HA -0.053 4.268 4.320 0.003 0.000 0.204 100 K C 1.209 177.813 176.600 0.007 0.000 1.048 100 K CA 1.334 57.630 56.287 0.016 0.000 0.940 100 K CB 0.108 32.617 32.500 0.016 0.000 0.729 100 K HN 0.434 nan 8.250 nan 0.000 0.451 101 E N -0.533 119.675 120.200 0.013 0.000 2.399 101 E HA 0.062 4.414 4.350 0.003 0.000 0.205 101 E C -0.264 176.317 176.600 -0.032 0.000 0.906 101 E CA 0.024 56.423 56.400 -0.000 0.000 0.998 101 E CB 0.538 30.248 29.700 0.017 0.000 1.002 101 E HN 0.207 nan 8.360 nan 0.000 0.501 102 N N 0.112 118.791 118.700 -0.035 0.000 2.405 102 N HA 0.528 5.269 4.740 0.003 0.000 0.285 102 N C -1.234 174.147 175.510 -0.215 0.000 1.262 102 N CA -0.537 52.416 53.050 -0.161 0.000 0.773 102 N CB 2.307 40.723 38.487 -0.118 0.000 1.490 102 N HN -0.135 nan 8.380 nan 0.000 0.486 103 I N 0.833 121.118 120.570 -0.475 0.000 2.619 103 I HA 0.480 4.651 4.170 0.003 0.000 0.292 103 I C -1.454 174.284 176.117 -0.632 0.000 1.100 103 I CA -0.545 60.548 61.300 -0.344 0.000 1.043 103 I CB 1.534 39.412 38.000 -0.202 0.000 1.239 103 I HN 0.345 nan 8.210 nan 0.000 0.420 104 F N 5.547 125.508 119.950 0.018 0.000 2.569 104 F HA 0.551 5.080 4.527 0.004 0.000 0.312 104 F C -0.264 175.539 175.800 0.006 0.000 1.109 104 F CA -0.571 57.438 58.000 0.014 0.000 0.919 104 F CB 1.984 41.000 39.000 0.027 0.000 1.211 104 F HN 0.128 nan 8.300 nan 0.000 0.446 105 I N 4.727 125.418 120.570 0.202 0.000 2.331 105 I HA 0.445 4.616 4.170 0.003 0.000 0.292 105 I C -0.645 175.549 176.117 0.128 0.000 0.998 105 I CA -0.426 60.947 61.300 0.122 0.000 1.267 105 I CB 1.163 39.203 38.000 0.065 0.000 1.386 105 I HN 0.409 nan 8.210 nan 0.000 0.476 106 I N 5.624 126.269 120.570 0.126 0.000 2.498 106 I HA 0.381 4.553 4.170 0.003 0.000 0.290 106 I C -0.072 176.084 176.117 0.065 0.000 1.032 106 I CA -0.324 61.051 61.300 0.125 0.000 1.073 106 I CB 2.078 40.204 38.000 0.211 0.000 1.251 106 I HN 0.578 nan 8.210 nan 0.000 0.426 107 S N 2.701 118.272 115.700 -0.216 0.000 2.634 107 S HA 0.563 5.035 4.470 0.003 0.000 0.296 107 S C 0.724 174.525 174.600 -1.332 0.000 1.104 107 S CA -0.387 57.447 58.200 -0.611 0.000 0.920 107 S CB 1.743 64.738 63.200 -0.343 0.000 1.111 107 S HN 0.803 nan 8.310 nan 0.000 0.493 108 G N 0.476 108.213 108.800 -1.771 0.000 2.776 108 G HA2 0.018 3.980 3.960 0.003 0.000 0.209 108 G HA3 0.018 3.980 3.960 0.003 0.000 0.209 108 G C 0.444 174.862 174.900 -0.804 0.000 1.145 108 G CA -0.163 43.768 45.100 -1.948 0.000 0.791 108 G HN 0.717 nan 8.290 nan 0.000 0.530 109 N N 0.643 119.016 118.700 -0.546 0.000 2.279 109 N HA 0.127 4.869 4.740 0.003 0.000 0.226 109 N C 1.494 176.870 175.510 -0.223 0.000 1.126 109 N CA 0.608 53.481 53.050 -0.295 0.000 0.846 109 N CB 0.678 39.037 38.487 -0.214 0.000 1.050 109 N HN 0.313 nan 8.380 nan 0.000 0.502 110 G N 1.170 109.817 108.800 -0.255 0.000 2.153 110 G HA2 -0.283 3.678 3.960 0.003 0.000 0.252 110 G HA3 -0.283 3.678 3.960 0.003 0.000 0.252 110 G C -0.019 174.816 174.900 -0.108 0.000 0.994 110 G CA 0.133 45.150 45.100 -0.138 0.000 0.698 110 G HN 0.346 nan 8.290 nan 0.000 0.521 111 E N -0.301 119.815 120.200 -0.139 0.000 2.227 111 E HA 0.595 4.947 4.350 0.003 0.000 0.282 111 E C -0.120 176.456 176.600 -0.039 0.000 1.015 111 E CA -0.418 55.933 56.400 -0.082 0.000 0.823 111 E CB 1.459 31.104 29.700 -0.091 0.000 1.081 111 E HN 0.347 nan 8.360 nan 0.000 0.396 112 V N 6.545 126.460 119.914 0.000 0.000 2.439 112 V HA 0.377 4.498 4.120 0.003 0.000 0.277 112 V C -0.520 175.654 176.094 0.135 0.000 1.008 112 V CA -0.520 61.809 62.300 0.047 0.000 0.846 112 V CB 0.591 32.389 31.823 -0.041 0.000 1.031 112 V HN 0.594 nan 8.190 nan 0.000 0.441 113 I N 3.911 124.587 120.570 0.175 0.000 2.389 113 I HA 0.507 4.679 4.170 0.003 0.000 0.288 113 I C -0.165 176.048 176.117 0.159 0.000 0.999 113 I CA -0.444 60.946 61.300 0.150 0.000 1.129 113 I CB 1.967 40.004 38.000 0.061 0.000 1.288 113 I HN 0.582 nan 8.210 nan 0.000 0.444 114 Q N 8.736 128.593 119.800 0.096 0.000 2.394 114 Q HA 0.423 4.764 4.340 0.003 0.000 0.259 114 Q C -2.348 173.601 176.000 -0.084 0.000 1.021 114 Q CA -1.794 53.930 55.803 -0.132 0.000 0.805 114 Q CB 1.395 29.922 28.738 -0.351 0.000 1.226 114 Q HN 0.374 nan 8.270 nan 0.000 0.476 115 P HA 0.011 nan 4.420 nan 0.000 0.269 115 P C -0.869 176.394 177.300 -0.062 0.000 1.209 115 P CA -0.060 63.007 63.100 -0.054 0.000 0.776 115 P CB 0.687 32.358 31.700 -0.049 0.000 0.876 116 D N 0.789 121.165 120.400 -0.041 0.000 2.896 116 D HA 0.267 4.909 4.640 0.003 0.000 0.240 116 D C -0.264 176.016 176.300 -0.033 0.000 1.193 116 D CA -0.072 53.906 54.000 -0.037 0.000 0.983 116 D CB -0.345 40.441 40.800 -0.023 0.000 1.074 116 D HN 0.197 nan 8.370 nan 0.000 0.496 117 D N -0.338 120.038 120.400 -0.041 0.000 2.671 117 D HA 0.110 4.751 4.640 0.003 0.000 0.273 117 D C -0.684 175.592 176.300 -0.040 0.000 1.264 117 D CA -0.466 53.514 54.000 -0.033 0.000 0.788 117 D CB 1.533 42.318 40.800 -0.026 0.000 1.324 117 D HN -0.208 nan 8.370 nan 0.000 0.424 118 D N 0.109 120.490 120.400 -0.032 0.000 2.352 118 D HA 0.413 5.055 4.640 0.003 0.000 0.236 118 D C -0.212 176.069 176.300 -0.031 0.000 1.148 118 D CA 0.243 54.223 54.000 -0.033 0.000 0.844 118 D CB 0.167 40.952 40.800 -0.024 0.000 0.933 118 D HN 0.391 nan 8.370 nan 0.000 0.507 119 A N 0.060 122.861 122.820 -0.032 0.000 2.549 119 A HA 0.810 5.131 4.320 0.003 0.000 0.297 119 A C -1.313 176.251 177.584 -0.033 0.000 1.061 119 A CA -0.524 51.496 52.037 -0.027 0.000 0.690 119 A CB 2.026 21.016 19.000 -0.017 0.000 1.287 119 A HN 0.083 nan 8.150 nan 0.000 0.402 120 A N -0.109 122.693 122.820 -0.030 0.000 2.612 120 A HA 1.047 5.368 4.320 0.003 0.000 0.293 120 A C -0.590 176.980 177.584 -0.023 0.000 1.075 120 A CA 0.046 52.065 52.037 -0.031 0.000 0.680 120 A CB 1.149 20.126 19.000 -0.039 0.000 1.279 120 A HN 2.720 nan 8.150 nan 0.000 0.411 121 A N 0.351 123.156 122.820 -0.025 0.000 2.612 121 A HA 0.852 5.173 4.320 0.003 0.000 0.293 121 A C -0.789 176.776 177.584 -0.030 0.000 1.075 121 A CA 0.070 52.092 52.037 -0.026 0.000 0.680 121 A CB 0.767 19.747 19.000 -0.034 0.000 1.279 121 A HN 2.194 nan 8.150 nan 0.000 0.411 122 I N -1.917 118.637 120.570 -0.026 0.000 3.264 122 I HA 0.975 5.147 4.170 0.003 0.000 0.315 122 I C 0.329 176.422 176.117 -0.039 0.000 1.154 122 I CA -0.549 60.735 61.300 -0.026 0.000 0.962 122 I CB 2.029 40.033 38.000 0.006 0.000 1.265 122 I HN 2.194 nan 8.210 nan 0.000 0.463 123 G N 1.748 110.523 108.800 -0.042 0.000 2.663 123 G HA2 -0.140 3.822 3.960 0.003 0.000 0.686 123 G HA3 -0.140 3.822 3.960 0.003 0.000 0.686 123 G C 0.308 175.164 174.900 -0.073 0.000 1.288 123 G CA -0.032 45.040 45.100 -0.048 0.000 0.836 123 G HN 1.527 nan 8.290 nan 0.000 0.584 124 S N -0.867 114.797 115.700 -0.059 0.000 2.387 124 S HA 0.022 4.494 4.470 0.003 0.000 0.230 124 S C 2.296 176.848 174.600 -0.080 0.000 1.035 124 S CA 2.175 60.347 58.200 -0.048 0.000 1.014 124 S CB -0.282 62.922 63.200 0.006 0.000 0.836 124 S HN 2.221 nan 8.310 nan 0.000 0.466 125 G N 0.167 108.946 108.800 -0.035 0.000 3.189 125 G HA2 0.450 4.411 3.960 0.003 0.000 0.225 125 G HA3 0.450 4.411 3.960 0.003 0.000 0.225 125 G C 1.112 175.890 174.900 -0.202 0.000 1.159 125 G CA 0.208 45.272 45.100 -0.061 0.000 0.763 125 G HN 0.599 nan 8.290 nan 0.000 0.549 126 G N 2.550 111.237 108.800 -0.188 0.000 2.529 126 G HA2 -0.208 3.753 3.960 0.003 0.000 0.219 126 G HA3 -0.208 3.753 3.960 0.003 0.000 0.219 126 G C 0.477 175.263 174.900 -0.190 0.000 1.177 126 G CA 1.377 46.389 45.100 -0.146 0.000 0.773 126 G HN 0.426 nan 8.290 nan 0.000 0.573 127 P HA -0.150 nan 4.420 nan 0.000 0.219 127 P C 0.987 178.201 177.300 -0.143 0.000 1.146 127 P CA 1.239 64.184 63.100 -0.258 0.000 0.808 127 P CB -0.156 31.353 31.700 -0.317 0.000 0.779 128 Y N 0.667 120.972 120.300 0.009 0.000 2.243 128 Y HA 0.119 4.671 4.550 0.003 0.000 0.293 128 Y C 2.930 178.832 175.900 0.004 0.000 1.124 128 Y CA 0.330 58.434 58.100 0.007 0.000 1.159 128 Y CB -1.949 36.518 38.460 0.011 0.000 1.008 128 Y HN -0.054 nan 8.280 nan 0.000 0.527 129 A N -0.010 122.879 122.820 0.117 0.000 1.930 129 A HA -0.126 4.195 4.320 0.003 0.000 0.217 129 A C 2.227 179.833 177.584 0.036 0.000 1.175 129 A CA 1.462 53.538 52.037 0.066 0.000 0.627 129 A CB -0.999 18.022 19.000 0.035 0.000 0.815 129 A HN 0.385 nan 8.150 nan 0.000 0.443 130 L N -0.271 120.959 121.223 0.013 0.000 2.027 130 L HA -0.013 4.329 4.340 0.003 0.000 0.206 130 L C 2.693 179.573 176.870 0.016 0.000 1.074 130 L CA 2.113 56.953 54.840 0.001 0.000 0.745 130 L CB -0.827 41.219 42.059 -0.022 0.000 0.898 130 L HN 0.331 nan 8.230 nan 0.000 0.433 131 A N -0.513 122.328 122.820 0.036 0.000 1.902 131 A HA -0.128 4.193 4.320 0.003 0.000 0.217 131 A C 2.441 180.047 177.584 0.037 0.000 1.181 131 A CA 1.894 53.957 52.037 0.043 0.000 0.623 131 A CB -1.178 17.865 19.000 0.072 0.000 0.818 131 A HN 0.563 nan 8.150 nan 0.000 0.443 132 A N -0.234 122.614 122.820 0.047 0.000 1.902 132 A HA 0.181 4.502 4.320 0.003 0.000 0.217 132 A C 2.500 180.097 177.584 0.022 0.000 1.181 132 A CA 2.050 54.108 52.037 0.034 0.000 0.623 132 A CB -0.977 18.047 19.000 0.041 0.000 0.818 132 A HN 1.044 nan 8.150 nan 0.000 0.443 133 A N -0.137 122.694 122.820 0.019 0.000 1.898 133 A HA -0.146 4.176 4.320 0.003 0.000 0.216 133 A C 2.108 179.695 177.584 0.006 0.000 1.181 133 A CA 1.791 53.834 52.037 0.010 0.000 0.620 133 A CB -0.414 18.589 19.000 0.006 0.000 0.819 133 A HN 0.542 nan 8.150 nan 0.000 0.442 134 K N -0.235 120.169 120.400 0.006 0.000 2.057 134 K HA -0.055 4.267 4.320 0.003 0.000 0.207 134 K C 2.323 178.926 176.600 0.005 0.000 1.049 134 K CA 1.127 57.416 56.287 0.003 0.000 0.931 134 K CB -0.347 32.155 32.500 0.003 0.000 0.714 134 K HN 0.431 nan 8.250 nan 0.000 0.440 135 A N 1.136 123.961 122.820 0.009 0.000 1.908 135 A HA -0.166 4.156 4.320 0.003 0.000 0.218 135 A C 2.021 179.608 177.584 0.006 0.000 1.181 135 A CA 1.399 53.440 52.037 0.008 0.000 0.627 135 A CB -0.454 18.553 19.000 0.011 0.000 0.818 135 A HN 0.093 nan 8.150 nan 0.000 0.445 136 L N -0.623 120.603 121.223 0.006 0.000 2.109 136 L HA -0.028 4.314 4.340 0.003 0.000 0.207 136 L C 2.437 179.309 176.870 0.002 0.000 1.086 136 L CA 1.228 56.070 54.840 0.004 0.000 0.760 136 L CB -0.900 41.162 42.059 0.005 0.000 0.910 136 L HN 0.348 nan 8.230 nan 0.000 0.437 137 L N -1.018 120.205 121.223 0.001 0.000 2.083 137 L HA -0.195 4.147 4.340 0.003 0.000 0.209 137 L C 2.424 179.294 176.870 -0.001 0.000 1.083 137 L CA 1.187 56.026 54.840 -0.001 0.000 0.752 137 L CB -0.260 41.797 42.059 -0.003 0.000 0.899 137 L HN 0.229 nan 8.230 nan 0.000 0.433 138 R N -0.653 119.847 120.500 -0.000 0.000 2.276 138 R HA 0.036 4.378 4.340 0.003 0.000 0.196 138 R C 0.778 177.078 176.300 0.000 0.000 0.961 138 R CA 0.582 56.682 56.100 -0.001 0.000 1.024 138 R CB 0.006 30.306 30.300 -0.000 0.000 0.940 138 R HN 0.388 nan 8.270 nan 0.000 0.480 139 N N -0.463 118.238 118.700 0.001 0.000 2.160 139 N HA 0.005 4.746 4.740 0.003 0.000 0.226 139 N C -0.642 174.869 175.510 0.001 0.000 1.256 139 N CA 0.040 53.090 53.050 0.001 0.000 0.890 139 N CB 1.559 40.047 38.487 0.002 0.000 1.116 139 N HN 0.085 nan 8.380 nan 0.000 0.517 140 T N -3.700 110.854 114.554 0.001 0.000 2.787 140 T HA 0.328 4.680 4.350 0.003 0.000 0.297 140 T C -1.011 173.689 174.700 0.000 0.000 1.221 140 T CA -0.746 61.354 62.100 0.001 0.000 1.006 140 T CB 1.929 70.798 68.868 0.001 0.000 1.328 140 T HN -0.246 nan 8.240 nan 0.000 0.509 141 D N 0.716 121.117 120.400 0.000 0.000 2.424 141 D HA 0.276 4.918 4.640 0.003 0.000 0.220 141 D C 0.480 176.780 176.300 0.000 0.000 1.150 141 D CA -0.121 53.879 54.000 0.000 0.000 0.831 141 D CB 0.171 40.971 40.800 0.000 0.000 0.981 141 D HN 0.457 nan 8.370 nan 0.000 0.500 142 L N 1.507 122.731 121.223 0.001 0.000 2.506 142 L HA -0.012 4.330 4.340 0.003 0.000 0.281 142 L C 1.460 178.331 176.870 0.001 0.000 1.228 142 L CA 0.035 54.875 54.840 0.001 0.000 0.850 142 L CB 0.345 42.405 42.059 0.002 0.000 1.110 142 L HN 0.008 nan 8.230 nan 0.000 0.496 143 S N 1.732 117.432 115.700 0.001 0.000 2.608 143 S HA 0.258 4.729 4.470 0.003 0.000 0.261 143 S C 1.116 175.716 174.600 0.001 0.000 1.314 143 S CA -0.211 57.989 58.200 0.001 0.000 0.992 143 S CB 1.338 64.539 63.200 0.001 0.000 0.935 143 S HN 0.691 nan 8.310 nan 0.000 0.564 144 A N 0.998 123.818 122.820 -0.000 0.000 1.933 144 A HA -0.110 4.212 4.320 0.003 0.000 0.218 144 A C 2.312 179.896 177.584 0.001 0.000 1.175 144 A CA 1.679 53.716 52.037 -0.001 0.000 0.628 144 A CB -0.864 18.135 19.000 -0.002 0.000 0.814 144 A HN 0.939 nan 8.150 nan 0.000 0.444 145 R N -0.222 120.279 120.500 0.002 0.000 2.075 145 R HA -0.134 4.207 4.340 0.003 0.000 0.232 145 R C 2.008 178.310 176.300 0.003 0.000 1.126 145 R CA 1.689 57.790 56.100 0.003 0.000 0.963 145 R CB -0.286 30.016 30.300 0.003 0.000 0.858 145 R HN 0.655 nan 8.270 nan 0.000 0.435 146 E N 0.334 120.536 120.200 0.003 0.000 2.077 146 E HA -0.193 4.159 4.350 0.003 0.000 0.193 146 E C 2.042 178.644 176.600 0.004 0.000 0.989 146 E CA 1.627 58.029 56.400 0.003 0.000 0.800 146 E CB -0.096 29.605 29.700 0.003 0.000 0.746 146 E HN 0.405 nan 8.360 nan 0.000 0.452 147 I N 0.514 121.086 120.570 0.004 0.000 2.179 147 I HA -0.259 3.913 4.170 0.003 0.000 0.242 147 I C 2.329 178.450 176.117 0.006 0.000 1.088 147 I CA 0.759 62.062 61.300 0.004 0.000 1.357 147 I CB -0.238 37.764 38.000 0.003 0.000 1.051 147 I HN 0.013 nan 8.210 nan 0.000 0.409 148 V N 0.914 120.830 119.914 0.005 0.000 2.287 148 V HA -0.295 3.827 4.120 0.003 0.000 0.248 148 V C 2.371 178.470 176.094 0.008 0.000 1.053 148 V CA 1.990 64.293 62.300 0.006 0.000 1.027 148 V CB -0.699 31.126 31.823 0.004 0.000 0.646 148 V HN 0.451 nan 8.190 nan 0.000 0.447 149 E N 0.059 120.263 120.200 0.007 0.000 2.058 149 E HA -0.272 4.080 4.350 0.003 0.000 0.194 149 E C 2.287 178.893 176.600 0.009 0.000 0.997 149 E CA 1.542 57.947 56.400 0.007 0.000 0.801 149 E CB -0.206 29.497 29.700 0.006 0.000 0.746 149 E HN 0.594 nan 8.360 nan 0.000 0.450 150 K N 0.393 120.798 120.400 0.009 0.000 2.097 150 K HA -0.046 4.276 4.320 0.003 0.000 0.205 150 K C 2.123 178.731 176.600 0.014 0.000 1.050 150 K CA 0.992 57.285 56.287 0.010 0.000 0.938 150 K CB -0.039 32.466 32.500 0.008 0.000 0.718 150 K HN 0.050 nan 8.250 nan 0.000 0.442 151 A N 1.125 123.954 122.820 0.016 0.000 1.897 151 A HA -0.098 4.223 4.320 0.003 0.000 0.215 151 A C 2.099 179.702 177.584 0.032 0.000 1.181 151 A CA 1.119 53.171 52.037 0.025 0.000 0.620 151 A CB -0.271 18.742 19.000 0.022 0.000 0.821 151 A HN 0.089 nan 8.150 nan 0.000 0.443 152 M N -0.165 119.450 119.600 0.025 0.000 2.159 152 M HA -0.100 4.382 4.480 0.003 0.000 0.263 152 M C 2.147 178.465 176.300 0.030 0.000 1.063 152 M CA 1.897 57.214 55.300 0.028 0.000 1.110 152 M CB -1.915 30.695 32.600 0.017 0.000 1.374 152 M HN 0.427 nan 8.290 nan 0.000 0.411 153 T N 1.255 115.821 114.554 0.021 0.000 2.746 153 T HA -0.084 4.268 4.350 0.003 0.000 0.267 153 T C 1.955 176.666 174.700 0.018 0.000 1.039 153 T CA 1.202 63.312 62.100 0.016 0.000 1.142 153 T CB -0.214 68.660 68.868 0.010 0.000 0.866 153 T HN 0.312 nan 8.240 nan 0.000 0.444 154 I N 1.129 121.712 120.570 0.022 0.000 2.252 154 I HA -0.136 4.036 4.170 0.003 0.000 0.245 154 I C 2.905 179.043 176.117 0.035 0.000 1.102 154 I CA 0.970 62.281 61.300 0.019 0.000 1.385 154 I CB -0.457 37.556 38.000 0.023 0.000 1.064 154 I HN 0.189 nan 8.210 nan 0.000 0.414 155 A N 0.946 123.812 122.820 0.076 0.000 1.902 155 A HA -0.130 4.192 4.320 0.003 0.000 0.217 155 A C 2.419 180.067 177.584 0.105 0.000 1.181 155 A CA 1.876 53.999 52.037 0.145 0.000 0.623 155 A CB -1.394 17.698 19.000 0.155 0.000 0.818 155 A HN 0.458 nan 8.150 nan 0.000 0.443 156 G N -0.859 107.978 108.800 0.063 0.000 2.443 156 G HA2 -0.201 3.760 3.960 0.003 0.000 0.219 156 G HA3 -0.201 3.760 3.960 0.003 0.000 0.219 156 G C 1.433 176.342 174.900 0.015 0.000 1.131 156 G CA 1.014 46.139 45.100 0.043 0.000 0.775 156 G HN 0.667 nan 8.290 nan 0.000 0.547 157 E N -0.249 119.951 120.200 -0.000 0.000 2.112 157 E HA 0.009 4.361 4.350 0.003 0.000 0.190 157 E C 2.345 178.911 176.600 -0.057 0.000 0.979 157 E CA 0.372 56.757 56.400 -0.026 0.000 0.814 157 E CB -0.054 29.630 29.700 -0.027 0.000 0.762 157 E HN 0.520 nan 8.360 nan 0.000 0.460 158 I N 0.109 120.628 120.570 -0.085 0.000 2.494 158 I HA -0.071 4.100 4.170 0.003 0.000 0.250 158 I C 1.262 177.285 176.117 -0.156 0.000 1.112 158 I CA -0.148 61.041 61.300 -0.185 0.000 1.438 158 I CB 0.312 38.077 38.000 -0.393 0.000 1.111 158 I HN 0.124 nan 8.210 nan 0.000 0.431 159 C N 3.123 122.405 119.300 -0.030 0.000 2.415 159 C HA 0.236 4.698 4.460 0.003 0.000 0.369 159 C C 2.055 177.052 174.990 0.012 0.000 1.279 159 C CA -0.891 58.182 59.018 0.093 0.000 1.886 159 C CB -0.344 27.586 27.740 0.316 0.000 2.468 159 C HN 0.459 nan 8.230 nan 0.000 0.553 160 I N 2.166 122.679 120.570 -0.095 0.000 3.001 160 I HA -0.019 4.153 4.170 0.003 0.000 0.268 160 I C 0.795 176.747 176.117 -0.276 0.000 1.267 160 I CA 1.410 62.569 61.300 -0.234 0.000 1.472 160 I CB -0.437 37.328 38.000 -0.391 0.000 1.089 160 I HN 0.733 nan 8.210 nan 0.000 0.468 161 Y N 1.441 121.767 120.300 0.044 0.000 2.457 161 Y HA 0.285 4.837 4.550 0.003 0.000 0.263 161 Y C 0.527 176.449 175.900 0.035 0.000 1.164 161 Y CA -0.272 57.850 58.100 0.038 0.000 1.274 161 Y CB 0.479 38.962 38.460 0.038 0.000 1.097 161 Y HN 0.055 nan 8.280 nan 0.000 0.523 162 T N 1.250 115.892 114.554 0.147 0.000 2.861 162 T HA 0.279 4.630 4.350 0.003 0.000 0.287 162 T C -0.524 174.210 174.700 0.058 0.000 1.003 162 T CA -0.971 61.190 62.100 0.102 0.000 0.977 162 T CB 1.362 70.298 68.868 0.113 0.000 0.996 162 T HN 0.222 nan 8.240 nan 0.000 0.448 163 N N 1.366 120.092 118.700 0.042 0.000 2.813 163 N HA 0.279 5.020 4.740 0.003 0.000 0.320 163 N C 0.428 175.951 175.510 0.021 0.000 1.315 163 N CA -0.832 52.233 53.050 0.026 0.000 0.871 163 N CB 0.614 39.114 38.487 0.022 0.000 1.241 163 N HN 0.281 nan 8.380 nan 0.000 0.602 164 Q N -0.946 118.863 119.800 0.014 0.000 2.319 164 Q HA 0.211 4.552 4.340 0.003 0.000 0.202 164 Q C -0.624 175.383 176.000 0.010 0.000 0.896 164 Q CA 0.017 55.827 55.803 0.012 0.000 0.942 164 Q CB -0.247 28.495 28.738 0.008 0.000 1.083 164 Q HN 0.491 nan 8.270 nan 0.000 0.510 165 N N 1.627 120.333 118.700 0.011 0.000 2.439 165 N HA 0.264 5.005 4.740 0.003 0.000 0.243 165 N C -0.515 174.999 175.510 0.007 0.000 1.088 165 N CA 0.141 53.197 53.050 0.009 0.000 0.940 165 N CB 0.671 39.164 38.487 0.011 0.000 1.180 165 N HN 0.136 nan 8.380 nan 0.000 0.505 166 I N 1.345 121.919 120.570 0.006 0.000 2.412 166 I HA 0.310 4.482 4.170 0.003 0.000 0.296 166 I C 0.078 176.197 176.117 0.004 0.000 0.987 166 I CA -0.960 60.342 61.300 0.003 0.000 1.180 166 I CB 1.800 39.803 38.000 0.005 0.000 1.340 166 I HN -0.047 nan 8.210 nan 0.000 0.455 167 V N 7.111 127.025 119.914 0.001 0.000 2.435 167 V HA 0.498 4.620 4.120 0.003 0.000 0.290 167 V C -0.047 176.050 176.094 0.005 0.000 1.030 167 V CA -0.460 61.843 62.300 0.005 0.000 0.881 167 V CB 1.697 33.524 31.823 0.007 0.000 0.983 167 V HN 0.467 nan 8.190 nan 0.000 0.445 168 I N 4.044 124.619 120.570 0.008 0.000 2.545 168 I HA 0.572 4.744 4.170 0.003 0.000 0.292 168 I C -0.547 175.576 176.117 0.010 0.000 1.040 168 I CA -0.558 60.746 61.300 0.008 0.000 1.068 168 I CB 2.215 40.219 38.000 0.006 0.000 1.251 168 I HN 0.488 nan 8.210 nan 0.000 0.424 169 E N 4.759 124.965 120.200 0.010 0.000 2.312 169 E HA 0.542 4.894 4.350 0.003 0.000 0.267 169 E C -1.281 175.324 176.600 0.008 0.000 0.894 169 E CA -0.664 55.742 56.400 0.010 0.000 0.773 169 E CB 3.103 32.810 29.700 0.012 0.000 1.241 169 E HN 0.592 nan 8.360 nan 0.000 0.432 170 E N 0.845 121.050 120.200 0.008 0.000 2.356 170 E HA 0.566 4.917 4.350 0.003 0.000 0.275 170 E C -1.208 175.397 176.600 0.008 0.000 0.904 170 E CA -0.793 55.611 56.400 0.007 0.000 0.757 170 E CB 1.876 31.580 29.700 0.006 0.000 1.232 170 E HN 0.291 nan 8.360 nan 0.000 0.442 171 V N 0.000 119.919 119.914 0.009 0.000 2.409 171 V HA 0.000 4.122 4.120 0.003 0.000 0.244 171 V CA 0.000 62.306 62.300 0.011 0.000 1.235 171 V CB 0.000 31.832 31.823 0.015 0.000 1.184 171 V HN 0.000 nan 8.190 nan 0.000 0.556