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 3mjc_1_B DATA FIRST_RESID -2 DATA SEQUENCE SHMDALRYHI EWNRVAEPGT ARPAGRLLAV ISPDHAGAPW VTAVLDALGP DATA SEQUENCE DTVRFEAKGT DRAAWAAQLA QLREDEGEFH AVVSLLAAAE ALHTDHGSVP DATA SEQUENCE LGLAQTLLLA QALGDAGLTA PLWCLTRGGV AAGRGDVLSS PVQGALWGLG DATA SEQUENCE RVIGLEHPDR WGGLIDLPET VDTRAAARLT GLLADAGGED QLAIRGSGVL DATA SEQUENCE ARRLAHAAPA VPGSGKRPPV HGSVLVTGGT GGIGGRVARR LAEQGAAHLV DATA SEQUENCE LTSRRGADAP GAAELRAELE QLGVRVTIAA CDAADREALA ALLAELPEDA DATA SEQUENCE PLTAVFHSAG VAHDDAPVAD LTLGQLDALM RAKLTAARHL HELTADLDLD DATA SEQUENCE AFVLFSSGAA VWGSGGQPGY AAANAYLDAL AEHRRSLGLT ASSVAWGTWG DATA SEQUENCE EXXXXXXPEV HDRLVRQGVL AMEPEHALGA LDQMLENDDT AAAITLMDWE DATA SEQUENCE MFAPAFTANR PSALLSTVPE AVSALS 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 -2 S HA 0.000 nan 4.470 nan 0.000 0.327 -2 S C 0.000 174.607 174.600 0.012 0.000 1.055 -2 S CA 0.000 58.221 58.200 0.035 0.000 1.107 -2 S CB 0.000 63.201 63.200 0.001 0.000 0.593 -1 H N 0.834 119.783 119.070 -0.201 0.000 2.395 -1 H HA 0.249 4.809 4.556 0.007 0.000 0.299 -1 H C 1.936 177.126 175.328 -0.231 0.000 1.070 -1 H CA 2.310 58.193 56.048 -0.275 0.000 1.356 -1 H CB -0.341 29.082 29.762 -0.564 0.000 1.401 -1 H HN 0.540 nan 8.280 nan 0.000 0.524 0 M N 0.013 119.559 119.600 -0.091 0.000 2.080 0 M HA -0.177 4.307 4.480 0.007 0.000 0.260 0 M C 1.639 177.929 176.300 -0.018 0.000 1.068 0 M CA 1.627 56.909 55.300 -0.030 0.000 1.109 0 M CB -0.116 32.482 32.600 -0.003 0.000 1.342 0 M HN 0.149 nan 8.290 nan 0.000 0.405 1 D N 0.719 121.097 120.400 -0.037 0.000 2.133 1 D HA -0.132 4.512 4.640 0.007 0.000 0.195 1 D C 1.956 178.206 176.300 -0.082 0.000 0.997 1 D CA 1.755 55.721 54.000 -0.057 0.000 0.840 1 D CB -0.260 40.501 40.800 -0.065 0.000 0.947 1 D HN 0.386 nan 8.370 nan 0.000 0.452 2 A N 0.159 122.928 122.820 -0.084 0.000 2.125 2 A HA -0.067 4.257 4.320 0.007 0.000 0.219 2 A C 2.182 179.744 177.584 -0.037 0.000 1.156 2 A CA 0.643 52.632 52.037 -0.080 0.000 0.671 2 A CB -0.480 18.462 19.000 -0.097 0.000 0.794 2 A HN 0.248 nan 8.150 nan 0.000 0.459 3 L N -1.209 120.013 121.223 -0.002 0.000 2.509 3 L HA 0.098 4.442 4.340 0.007 0.000 0.222 3 L C 0.659 177.590 176.870 0.102 0.000 1.123 3 L CA 0.030 54.931 54.840 0.102 0.000 0.856 3 L CB -0.078 42.050 42.059 0.113 0.000 0.985 3 L HN 0.230 nan 8.230 nan 0.000 0.456 4 R N -0.246 120.210 120.500 -0.073 0.000 2.265 4 R HA 0.472 4.816 4.340 0.007 0.000 0.319 4 R C -1.432 174.740 176.300 -0.213 0.000 1.006 4 R CA -0.330 55.749 56.100 -0.035 0.000 0.880 4 R CB 1.082 31.365 30.300 -0.028 0.000 1.077 4 R HN -0.120 nan 8.270 nan 0.000 0.454 5 Y N 1.465 121.827 120.300 0.104 0.000 2.602 5 Y HA 0.391 4.945 4.550 0.006 0.000 0.342 5 Y C 0.450 176.478 175.900 0.213 0.000 1.029 5 Y CA -0.851 57.329 58.100 0.134 0.000 1.080 5 Y CB 1.698 40.209 38.460 0.084 0.000 1.284 5 Y HN 0.591 nan 8.280 nan 0.000 0.485 6 H N -0.224 118.947 119.070 0.169 0.000 3.016 6 H HA 0.473 5.031 4.556 0.004 0.000 0.362 6 H C -1.640 173.725 175.328 0.062 0.000 1.233 6 H CA -1.301 54.805 56.048 0.097 0.000 1.124 6 H CB 0.820 30.618 29.762 0.060 0.000 1.850 6 H HN 0.488 nan 8.280 nan 0.000 0.549 7 I N 2.492 122.993 120.570 -0.115 0.000 2.441 7 I HA 0.137 4.311 4.170 0.007 0.000 0.287 7 I C 0.729 176.629 176.117 -0.360 0.000 1.049 7 I CA 0.122 61.273 61.300 -0.247 0.000 1.381 7 I CB 0.663 38.591 38.000 -0.120 0.000 1.409 7 I HN 0.718 nan 8.210 nan 0.000 0.523 8 E N 5.168 125.107 120.200 -0.435 0.000 2.378 8 E HA 0.589 4.943 4.350 0.007 0.000 0.265 8 E C -1.907 174.494 176.600 -0.330 0.000 0.932 8 E CA -0.898 55.351 56.400 -0.252 0.000 0.795 8 E CB 1.601 31.181 29.700 -0.200 0.000 1.296 8 E HN 0.347 nan 8.360 nan 0.000 0.438 9 W N 0.700 121.973 121.300 -0.044 0.000 2.683 9 W HA 0.422 5.082 4.660 0.001 0.000 0.329 9 W C -0.769 175.749 176.519 -0.001 0.000 1.037 9 W CA -0.447 56.890 57.345 -0.014 0.000 1.232 9 W CB 1.825 31.274 29.460 -0.017 0.000 1.390 9 W HN 0.353 nan 8.180 nan 0.000 0.465 10 N N 2.231 121.040 118.700 0.182 0.000 2.362 10 N HA 0.372 5.116 4.740 0.007 0.000 0.298 10 N C -0.526 175.067 175.510 0.139 0.000 1.048 10 N CA -1.067 52.055 53.050 0.121 0.000 0.858 10 N CB 1.610 40.132 38.487 0.059 0.000 1.218 10 N HN 0.358 nan 8.380 nan 0.000 0.488 11 R N 1.005 121.568 120.500 0.106 0.000 2.570 11 R HA 0.244 4.588 4.340 0.007 0.000 0.277 11 R C -0.182 176.165 176.300 0.079 0.000 1.039 11 R CA -0.233 55.922 56.100 0.091 0.000 1.065 11 R CB 0.180 30.519 30.300 0.065 0.000 0.964 11 R HN 0.442 nan 8.270 nan 0.000 0.428 12 V N 1.328 121.292 119.914 0.082 0.000 3.103 12 V HA 0.735 4.860 4.120 0.007 0.000 0.318 12 V C 0.071 176.198 176.094 0.056 0.000 1.114 12 V CA -1.035 61.308 62.300 0.071 0.000 1.020 12 V CB 1.394 33.269 31.823 0.087 0.000 1.085 12 V HN 0.991 nan 8.190 nan 0.000 0.446 13 A N 1.316 124.164 122.820 0.048 0.000 2.616 13 A HA 0.132 4.456 4.320 0.007 0.000 0.234 13 A C 0.569 178.173 177.584 0.034 0.000 1.024 13 A CA 0.273 52.332 52.037 0.037 0.000 0.758 13 A CB -0.538 18.484 19.000 0.036 0.000 0.939 13 A HN 0.874 nan 8.150 nan 0.000 0.510 14 E N 2.622 122.837 120.200 0.025 0.000 2.414 14 E HA 0.210 4.564 4.350 0.007 0.000 0.263 14 E C -1.693 174.915 176.600 0.014 0.000 1.000 14 E CA -0.993 55.417 56.400 0.017 0.000 0.914 14 E CB -0.058 29.649 29.700 0.012 0.000 0.948 14 E HN 0.572 nan 8.360 nan 0.000 0.444 15 P HA 0.178 nan 4.420 nan 0.000 0.279 15 P C 0.258 177.556 177.300 -0.004 0.000 1.282 15 P CA -0.537 62.563 63.100 0.001 0.000 0.788 15 P CB 0.422 32.112 31.700 -0.017 0.000 1.139 16 G N -0.733 108.063 108.800 -0.006 0.000 2.699 16 G HA2 0.255 4.219 3.960 0.007 0.000 0.246 16 G HA3 0.255 4.219 3.960 0.007 0.000 0.246 16 G C 0.802 175.691 174.900 -0.019 0.000 1.219 16 G CA 0.234 45.328 45.100 -0.010 0.000 0.866 16 G HN 0.619 nan 8.290 nan 0.000 0.572 17 T N -2.990 111.553 114.554 -0.018 0.000 3.105 17 T HA 0.566 4.920 4.350 0.007 0.000 0.253 17 T C 0.734 175.417 174.700 -0.029 0.000 1.047 17 T CA 0.471 62.557 62.100 -0.022 0.000 0.944 17 T CB 0.270 69.129 68.868 -0.015 0.000 1.016 17 T HN 0.836 nan 8.240 nan 0.000 0.544 18 A N 1.429 124.229 122.820 -0.034 0.000 2.312 18 A HA 0.746 5.070 4.320 0.007 0.000 0.328 18 A C 0.289 177.835 177.584 -0.063 0.000 1.158 18 A CA -1.013 50.999 52.037 -0.042 0.000 0.821 18 A CB 0.776 19.753 19.000 -0.038 0.000 1.170 18 A HN 0.505 nan 8.150 nan 0.000 0.490 19 R N 1.283 121.742 120.500 -0.069 0.000 2.734 19 R HA 0.272 4.616 4.340 0.007 0.000 0.266 19 R C -2.351 173.864 176.300 -0.142 0.000 1.044 19 R CA -0.860 55.185 56.100 -0.092 0.000 1.128 19 R CB -0.037 30.220 30.300 -0.073 0.000 1.010 19 R HN 0.451 nan 8.270 nan 0.000 0.461 20 P HA -0.052 nan 4.420 nan 0.000 0.264 20 P C -0.542 176.574 177.300 -0.307 0.000 1.183 20 P CA 0.354 63.194 63.100 -0.432 0.000 0.763 20 P CB 0.923 32.272 31.700 -0.585 0.000 0.807 21 A N 4.043 126.693 122.820 -0.284 0.000 1.851 21 A HA 0.024 4.348 4.320 0.007 0.000 0.216 21 A C 1.394 178.937 177.584 -0.069 0.000 1.195 21 A CA 1.929 53.896 52.037 -0.117 0.000 0.622 21 A CB -1.359 17.610 19.000 -0.052 0.000 0.831 21 A HN 0.616 nan 8.150 nan 0.000 0.444 22 G N -1.566 107.213 108.800 -0.036 0.000 2.532 22 G HA2 0.486 4.450 3.960 0.007 0.000 0.291 22 G HA3 0.486 4.450 3.960 0.007 0.000 0.291 22 G C -0.167 174.781 174.900 0.080 0.000 1.349 22 G CA -0.714 44.418 45.100 0.053 0.000 1.038 22 G HN 0.492 nan 8.290 nan 0.000 0.518 23 R N -0.753 119.824 120.500 0.128 0.000 2.404 23 R HA 0.401 4.745 4.340 0.007 0.000 0.291 23 R C -0.259 176.253 176.300 0.354 0.000 1.025 23 R CA -0.575 55.634 56.100 0.182 0.000 0.991 23 R CB 0.539 30.932 30.300 0.154 0.000 1.053 23 R HN 0.155 nan 8.270 nan 0.000 0.479 24 L N 4.469 125.844 121.223 0.253 0.000 2.357 24 L HA 0.422 4.766 4.340 0.007 0.000 0.273 24 L C -0.458 176.469 176.870 0.095 0.000 1.080 24 L CA -0.759 54.195 54.840 0.190 0.000 0.803 24 L CB 0.986 43.094 42.059 0.082 0.000 1.174 24 L HN 0.548 nan 8.230 nan 0.000 0.443 25 L N 2.295 123.418 121.223 -0.168 0.000 2.305 25 L HA 0.724 5.069 4.340 0.007 0.000 0.284 25 L C -0.177 176.577 176.870 -0.194 0.000 1.013 25 L CA -0.185 54.395 54.840 -0.434 0.000 0.819 25 L CB 1.353 42.759 42.059 -1.088 0.000 1.227 25 L HN 0.698 nan 8.230 nan 0.000 0.417 26 A N 4.956 127.712 122.820 -0.108 0.000 2.305 26 A HA 0.778 5.102 4.320 0.007 0.000 0.322 26 A C -1.083 176.477 177.584 -0.041 0.000 1.187 26 A CA -0.547 51.456 52.037 -0.057 0.000 0.825 26 A CB 1.264 20.237 19.000 -0.045 0.000 1.164 26 A HN 0.535 nan 8.150 nan 0.000 0.498 27 V N 3.889 123.786 119.914 -0.028 0.000 2.409 27 V HA 0.426 4.550 4.120 0.007 0.000 0.291 27 V C -0.402 175.638 176.094 -0.089 0.000 1.020 27 V CA -0.064 62.221 62.300 -0.024 0.000 0.848 27 V CB 0.944 32.784 31.823 0.029 0.000 0.990 27 V HN 0.741 nan 8.190 nan 0.000 0.430 28 I N 2.816 123.285 120.570 -0.168 0.000 2.530 28 I HA 0.418 4.592 4.170 0.007 0.000 0.297 28 I C 0.287 176.289 176.117 -0.191 0.000 1.011 28 I CA -0.396 60.806 61.300 -0.165 0.000 1.107 28 I CB 2.238 40.139 38.000 -0.165 0.000 1.285 28 I HN 0.528 nan 8.210 nan 0.000 0.436 29 S N 6.482 122.116 115.700 -0.109 0.000 2.399 29 S HA 0.312 4.786 4.470 0.007 0.000 0.301 29 S C -1.327 173.245 174.600 -0.047 0.000 1.093 29 S CA -1.573 56.598 58.200 -0.049 0.000 1.077 29 S CB 0.640 63.879 63.200 0.065 0.000 0.980 29 S HN 0.423 nan 8.310 nan 0.000 0.494 30 P HA -0.047 nan 4.420 nan 0.000 0.222 30 P C 0.213 177.445 177.300 -0.113 0.000 1.147 30 P CA 0.902 63.934 63.100 -0.114 0.000 0.790 30 P CB 0.150 31.768 31.700 -0.136 0.000 0.780 31 D N -1.324 119.002 120.400 -0.123 0.000 2.340 31 D HA -0.013 4.631 4.640 0.007 0.000 0.220 31 D C 0.118 176.097 176.300 -0.536 0.000 1.039 31 D CA 0.664 54.476 54.000 -0.313 0.000 0.866 31 D CB -0.353 40.215 40.800 -0.385 0.000 0.913 31 D HN 0.445 nan 8.370 nan 0.000 0.523 32 H N -0.823 118.214 119.070 -0.055 0.000 2.712 32 H HA 0.473 5.033 4.556 0.007 0.000 0.226 32 H C 0.173 175.443 175.328 -0.096 0.000 1.422 32 H CA -0.188 55.830 56.048 -0.049 0.000 1.270 32 H CB 1.005 30.758 29.762 -0.015 0.000 1.891 32 H HN 0.001 nan 8.280 nan 0.000 0.518 33 A N 0.157 122.944 122.820 -0.055 0.000 2.538 33 A HA 0.379 4.703 4.320 0.007 0.000 0.269 33 A C 1.919 179.421 177.584 -0.136 0.000 1.231 33 A CA 0.387 52.350 52.037 -0.123 0.000 0.948 33 A CB 0.130 19.054 19.000 -0.126 0.000 1.110 33 A HN 0.550 nan 8.150 nan 0.000 0.529 34 G N -0.438 108.304 108.800 -0.098 0.000 2.986 34 G HA2 0.413 4.377 3.960 0.007 0.000 0.213 34 G HA3 0.413 4.377 3.960 0.007 0.000 0.213 34 G C 0.746 175.600 174.900 -0.077 0.000 1.156 34 G CA 0.667 45.718 45.100 -0.082 0.000 0.763 34 G HN 0.720 nan 8.290 nan 0.000 0.547 35 A N 0.985 123.741 122.820 -0.106 0.000 2.498 35 A HA 0.492 4.816 4.320 0.007 0.000 0.239 35 A C -0.696 176.834 177.584 -0.090 0.000 1.068 35 A CA -0.702 51.300 52.037 -0.058 0.000 0.766 35 A CB 0.723 19.684 19.000 -0.064 0.000 1.003 35 A HN 0.079 nan 8.150 nan 0.000 0.497 36 P HA -0.161 nan 4.420 nan 0.000 0.216 36 P C 1.465 178.808 177.300 0.072 0.000 1.150 36 P CA 1.764 64.891 63.100 0.046 0.000 0.837 36 P CB -0.079 31.676 31.700 0.092 0.000 0.786 37 W N -1.124 120.183 121.300 0.013 0.000 2.467 37 W HA -0.019 4.646 4.660 0.009 0.000 0.275 37 W C 1.219 177.744 176.519 0.011 0.000 1.239 37 W CA 0.390 57.742 57.345 0.012 0.000 1.266 37 W CB -1.707 27.765 29.460 0.019 0.000 1.112 37 W HN -0.232 nan 8.180 nan 0.000 0.576 38 V N 2.933 122.348 119.914 -0.833 0.000 2.295 38 V HA -0.353 3.771 4.120 0.007 0.000 0.246 38 V C 2.950 178.859 176.094 -0.308 0.000 1.049 38 V CA 3.664 65.509 62.300 -0.758 0.000 1.024 38 V CB -1.519 29.842 31.823 -0.770 0.000 0.648 38 V HN 0.375 nan 8.190 nan 0.000 0.447 39 T N -1.025 113.407 114.554 -0.203 0.000 2.833 39 T HA -0.106 4.248 4.350 0.007 0.000 0.269 39 T C 1.880 176.546 174.700 -0.057 0.000 1.054 39 T CA 1.412 63.447 62.100 -0.108 0.000 1.135 39 T CB -0.440 68.383 68.868 -0.075 0.000 0.869 39 T HN 0.469 nan 8.240 nan 0.000 0.466 40 A N 0.929 123.739 122.820 -0.017 0.000 1.929 40 A HA 0.165 4.489 4.320 0.007 0.000 0.216 40 A C 2.584 180.183 177.584 0.025 0.000 1.176 40 A CA 1.180 53.230 52.037 0.022 0.000 0.628 40 A CB -0.903 18.140 19.000 0.071 0.000 0.816 40 A HN 0.402 nan 8.150 nan 0.000 0.444 41 V N 0.080 120.014 119.914 0.034 0.000 2.358 41 V HA -0.211 3.913 4.120 0.007 0.000 0.246 41 V C 2.533 178.620 176.094 -0.012 0.000 1.047 41 V CA 1.752 64.074 62.300 0.037 0.000 1.035 41 V CB -0.662 31.210 31.823 0.082 0.000 0.658 41 V HN 0.567 nan 8.190 nan 0.000 0.452 42 L N 0.018 121.212 121.223 -0.049 0.000 2.046 42 L HA -0.213 4.131 4.340 0.007 0.000 0.208 42 L C 2.374 179.225 176.870 -0.033 0.000 1.077 42 L CA 2.025 56.834 54.840 -0.051 0.000 0.747 42 L CB -0.617 41.398 42.059 -0.072 0.000 0.896 42 L HN 0.390 nan 8.230 nan 0.000 0.432 43 D N -0.055 120.329 120.400 -0.028 0.000 2.144 43 D HA -0.158 4.486 4.640 0.007 0.000 0.200 43 D C 2.154 178.446 176.300 -0.015 0.000 0.978 43 D CA 1.274 55.263 54.000 -0.019 0.000 0.833 43 D CB 0.145 40.936 40.800 -0.015 0.000 0.961 43 D HN 0.241 nan 8.370 nan 0.000 0.470 44 A N 0.211 123.025 122.820 -0.010 0.000 1.933 44 A HA -0.095 4.229 4.320 0.007 0.000 0.218 44 A C 2.359 179.931 177.584 -0.021 0.000 1.175 44 A CA 1.055 53.085 52.037 -0.012 0.000 0.628 44 A CB -0.776 18.221 19.000 -0.005 0.000 0.814 44 A HN 0.388 nan 8.150 nan 0.000 0.444 45 L N -1.236 119.975 121.223 -0.021 0.000 2.275 45 L HA 0.155 4.499 4.340 0.007 0.000 0.215 45 L C 1.431 178.291 176.870 -0.017 0.000 1.119 45 L CA 0.391 55.217 54.840 -0.023 0.000 0.790 45 L CB -1.453 40.594 42.059 -0.020 0.000 0.919 45 L HN 0.643 nan 8.230 nan 0.000 0.443 46 G N 0.217 109.007 108.800 -0.016 0.000 2.795 46 G HA2 -0.185 3.780 3.960 0.007 0.000 0.664 46 G HA3 -0.185 3.780 3.960 0.007 0.000 0.664 46 G C -2.121 172.774 174.900 -0.007 0.000 1.381 46 G CA -0.245 44.848 45.100 -0.012 0.000 0.853 46 G HN 0.070 nan 8.290 nan 0.000 0.545 47 P HA 0.118 nan 4.420 nan 0.000 0.236 47 P C 0.555 177.860 177.300 0.009 0.000 1.177 47 P CA 1.155 64.254 63.100 -0.001 0.000 0.773 47 P CB 0.244 31.942 31.700 -0.004 0.000 0.878 48 D N -0.281 120.126 120.400 0.012 0.000 2.347 48 D HA -0.005 4.639 4.640 0.007 0.000 0.215 48 D C 0.540 176.868 176.300 0.047 0.000 0.976 48 D CA 0.699 54.714 54.000 0.025 0.000 0.884 48 D CB -0.577 40.234 40.800 0.018 0.000 0.915 48 D HN 0.112 nan 8.370 nan 0.000 0.526 49 T N 0.945 115.522 114.554 0.039 0.000 2.916 49 T HA 0.166 4.520 4.350 0.007 0.000 0.303 49 T C 0.432 175.169 174.700 0.061 0.000 1.025 49 T CA -0.232 61.901 62.100 0.055 0.000 1.142 49 T CB 1.666 70.548 68.868 0.022 0.000 0.947 49 T HN -0.255 nan 8.240 nan 0.000 0.544 50 V N 5.046 125.019 119.914 0.098 0.000 2.546 50 V HA 0.401 4.525 4.120 0.007 0.000 0.284 50 V C 0.339 176.447 176.094 0.023 0.000 1.050 50 V CA -0.487 61.871 62.300 0.097 0.000 0.981 50 V CB 1.256 33.213 31.823 0.224 0.000 0.990 50 V HN 0.679 nan 8.190 nan 0.000 0.474 51 R N 3.658 124.174 120.500 0.028 0.000 2.445 51 R HA 0.559 4.903 4.340 0.007 0.000 0.308 51 R C -1.028 175.306 176.300 0.056 0.000 0.961 51 R CA -0.284 55.819 56.100 0.005 0.000 0.862 51 R CB 1.579 31.864 30.300 -0.025 0.000 1.144 51 R HN 0.657 nan 8.270 nan 0.000 0.447 52 F N 1.718 121.584 119.950 -0.141 0.000 2.477 52 F HA 0.385 4.916 4.527 0.006 0.000 0.335 52 F C -0.485 175.195 175.800 -0.199 0.000 1.130 52 F CA -0.604 57.295 58.000 -0.168 0.000 0.948 52 F CB 1.453 40.328 39.000 -0.207 0.000 1.154 52 F HN 0.456 nan 8.300 nan 0.000 0.439 53 E N 5.472 125.185 120.200 -0.811 0.000 2.089 53 E HA 0.392 4.746 4.350 0.007 0.000 0.284 53 E C -0.579 175.252 176.600 -1.282 0.000 1.023 53 E CA -0.677 55.255 56.400 -0.781 0.000 0.819 53 E CB 1.353 30.805 29.700 -0.413 0.000 1.076 53 E HN 0.660 nan 8.360 nan 0.000 0.396 54 A N 4.882 126.997 122.820 -1.174 0.000 2.539 54 A HA 0.123 4.447 4.320 0.007 0.000 0.306 54 A C -0.086 177.172 177.584 -0.543 0.000 1.392 54 A CA -0.319 50.895 52.037 -1.370 0.000 1.060 54 A CB -0.075 18.171 19.000 -1.257 0.000 1.134 54 A HN 0.478 nan 8.150 nan 0.000 0.542 55 K N 2.186 122.469 120.400 -0.195 0.000 2.227 55 K HA 0.524 4.849 4.320 0.007 0.000 0.280 55 K C 1.146 178.009 176.600 0.439 0.000 1.041 55 K CA 0.544 56.911 56.287 0.134 0.000 0.905 55 K CB 1.296 33.834 32.500 0.062 0.000 1.068 55 K HN 1.095 nan 8.250 nan 0.000 0.470 56 G N 2.175 111.149 108.800 0.290 0.000 2.596 56 G HA2 -0.335 3.630 3.960 0.007 0.000 0.295 56 G HA3 -0.335 3.630 3.960 0.007 0.000 0.295 56 G C -0.213 174.867 174.900 0.300 0.000 1.240 56 G CA 0.451 45.686 45.100 0.225 0.000 0.985 56 G HN 0.726 nan 8.290 nan 0.000 0.555 57 T N -2.934 111.667 114.554 0.078 0.000 3.446 57 T HA 0.519 4.873 4.350 0.007 0.000 0.289 57 T C -1.224 173.259 174.700 -0.363 0.000 1.203 57 T CA 0.439 62.439 62.100 -0.166 0.000 1.645 57 T CB 1.418 70.361 68.868 0.124 0.000 0.841 57 T HN 0.753 nan 8.240 nan 0.000 0.617 58 D N 1.286 121.239 120.400 -0.745 0.000 2.375 58 D HA 0.311 4.956 4.640 0.007 0.000 0.259 58 D C 1.117 176.988 176.300 -0.715 0.000 1.235 58 D CA -0.787 52.905 54.000 -0.513 0.000 0.924 58 D CB 1.536 42.183 40.800 -0.254 0.000 1.143 58 D HN 0.401 nan 8.370 nan 0.000 0.529 59 R N 2.606 122.814 120.500 -0.486 0.000 2.094 59 R HA -0.204 4.140 4.340 0.007 0.000 0.239 59 R C 1.706 177.932 176.300 -0.123 0.000 1.137 59 R CA 2.106 58.024 56.100 -0.303 0.000 0.943 59 R CB -0.000 30.196 30.300 -0.173 0.000 0.850 59 R HN 0.396 nan 8.270 nan 0.000 0.433 60 A N 0.477 123.243 122.820 -0.090 0.000 1.902 60 A HA -0.087 4.237 4.320 0.007 0.000 0.217 60 A C 2.363 179.968 177.584 0.036 0.000 1.181 60 A CA 1.681 53.709 52.037 -0.015 0.000 0.623 60 A CB -0.783 18.208 19.000 -0.015 0.000 0.818 60 A HN 0.586 nan 8.150 nan 0.000 0.443 61 A N -0.912 121.926 122.820 0.030 0.000 1.877 61 A HA -0.154 4.170 4.320 0.007 0.000 0.216 61 A C 1.955 179.741 177.584 0.335 0.000 1.186 61 A CA 1.615 53.742 52.037 0.149 0.000 0.620 61 A CB -0.878 18.217 19.000 0.159 0.000 0.822 61 A HN 0.739 nan 8.150 nan 0.000 0.443 62 W N -0.331 121.043 121.300 0.123 0.000 2.363 62 W HA 0.012 4.676 4.660 0.007 0.000 0.296 62 W C 2.767 179.296 176.519 0.017 0.000 1.212 62 W CA 0.432 57.868 57.345 0.151 0.000 1.260 62 W CB -1.418 28.165 29.460 0.206 0.000 1.131 62 W HN 0.438 nan 8.180 nan 0.000 0.530 63 A N 0.757 123.716 122.820 0.231 0.000 1.908 63 A HA -0.059 4.265 4.320 0.007 0.000 0.218 63 A C 2.289 179.914 177.584 0.068 0.000 1.181 63 A CA 2.948 55.047 52.037 0.104 0.000 0.627 63 A CB -1.142 17.896 19.000 0.064 0.000 0.818 63 A HN 0.152 nan 8.150 nan 0.000 0.445 64 A N -0.894 121.981 122.820 0.091 0.000 1.902 64 A HA -0.209 4.115 4.320 0.007 0.000 0.217 64 A C 2.124 179.750 177.584 0.069 0.000 1.181 64 A CA 1.717 53.798 52.037 0.074 0.000 0.623 64 A CB -0.552 18.497 19.000 0.081 0.000 0.818 64 A HN 0.650 nan 8.150 nan 0.000 0.443 65 Q N -0.547 119.318 119.800 0.108 0.000 2.119 65 Q HA -0.032 4.312 4.340 0.007 0.000 0.201 65 Q C 2.038 177.986 176.000 -0.086 0.000 0.972 65 Q CA 1.329 57.183 55.803 0.084 0.000 0.847 65 Q CB -0.265 28.630 28.738 0.263 0.000 0.903 65 Q HN 0.676 nan 8.270 nan 0.000 0.433 66 L N -0.146 120.961 121.223 -0.193 0.000 2.109 66 L HA -0.117 4.227 4.340 0.007 0.000 0.207 66 L C 2.457 179.277 176.870 -0.083 0.000 1.086 66 L CA 0.740 55.415 54.840 -0.275 0.000 0.760 66 L CB -0.524 41.351 42.059 -0.306 0.000 0.910 66 L HN 0.212 nan 8.230 nan 0.000 0.437 67 A N -0.376 122.425 122.820 -0.031 0.000 1.902 67 A HA -0.291 4.033 4.320 0.007 0.000 0.217 67 A C 2.204 179.798 177.584 0.016 0.000 1.181 67 A CA 1.890 53.930 52.037 0.004 0.000 0.623 67 A CB -0.476 18.532 19.000 0.014 0.000 0.818 67 A HN 0.374 nan 8.150 nan 0.000 0.443 68 Q N -0.111 119.699 119.800 0.017 0.000 2.050 68 Q HA -0.077 4.267 4.340 0.007 0.000 0.202 68 Q C 1.914 177.939 176.000 0.041 0.000 0.980 68 Q CA 1.716 57.537 55.803 0.030 0.000 0.840 68 Q CB -0.493 28.269 28.738 0.040 0.000 0.898 68 Q HN 0.658 nan 8.270 nan 0.000 0.424 69 L N -0.061 121.190 121.223 0.047 0.000 2.043 69 L HA -0.176 4.168 4.340 0.007 0.000 0.212 69 L C 1.563 178.529 176.870 0.159 0.000 1.075 69 L CA 0.970 55.879 54.840 0.116 0.000 0.752 69 L CB -0.334 41.794 42.059 0.114 0.000 0.891 69 L HN 0.135 nan 8.230 nan 0.000 0.432 70 R N -0.285 120.299 120.500 0.139 0.000 2.679 70 R HA 0.039 4.383 4.340 0.007 0.000 0.269 70 R C 1.056 177.362 176.300 0.010 0.000 1.076 70 R CA 0.933 57.087 56.100 0.090 0.000 1.160 70 R CB 0.700 31.054 30.300 0.091 0.000 1.054 70 R HN 0.377 nan 8.270 nan 0.000 0.507 71 E N -0.451 119.724 120.200 -0.042 0.000 3.907 71 E HA -0.340 4.014 4.350 0.007 0.000 0.175 71 E C 0.225 176.804 176.600 -0.034 0.000 1.090 71 E CA 1.159 57.541 56.400 -0.030 0.000 2.543 71 E CB -1.530 28.167 29.700 -0.005 0.000 1.668 71 E HN 0.658 nan 8.360 nan 0.000 0.516 72 D N 0.956 121.349 120.400 -0.012 0.000 2.108 72 D HA -0.166 4.478 4.640 0.007 0.000 0.190 72 D C 1.754 178.032 176.300 -0.036 0.000 0.995 72 D CA 2.082 56.077 54.000 -0.007 0.000 0.834 72 D CB -0.205 40.609 40.800 0.024 0.000 0.967 72 D HN 0.486 nan 8.370 nan 0.000 0.446 73 E N 0.322 120.491 120.200 -0.051 0.000 2.371 73 E HA 0.182 4.536 4.350 0.007 0.000 0.194 73 E C 1.534 177.947 176.600 -0.311 0.000 1.012 73 E CA 0.632 56.943 56.400 -0.149 0.000 0.860 73 E CB 0.197 29.844 29.700 -0.088 0.000 0.811 73 E HN 0.337 nan 8.360 nan 0.000 0.502 74 G N 2.481 111.116 108.800 -0.276 0.000 2.632 74 G HA2 -0.291 3.673 3.960 0.007 0.000 0.224 74 G HA3 -0.291 3.673 3.960 0.007 0.000 0.224 74 G C -0.295 174.317 174.900 -0.480 0.000 1.341 74 G CA -0.082 44.852 45.100 -0.277 0.000 0.880 74 G HN 0.349 nan 8.290 nan 0.000 0.566 75 E N -0.605 119.395 120.200 -0.334 0.000 2.390 75 E HA 0.547 4.901 4.350 0.007 0.000 0.261 75 E C -0.636 175.696 176.600 -0.447 0.000 1.076 75 E CA -0.427 55.807 56.400 -0.276 0.000 0.905 75 E CB 0.536 30.178 29.700 -0.097 0.000 0.984 75 E HN 0.413 nan 8.360 nan 0.000 0.427 76 F N 0.522 120.483 119.950 0.018 0.000 2.523 76 F HA 0.184 4.715 4.527 0.007 0.000 0.329 76 F C 1.530 177.366 175.800 0.062 0.000 1.061 76 F CA -0.732 57.293 58.000 0.043 0.000 0.967 76 F CB 1.388 40.406 39.000 0.030 0.000 1.218 76 F HN 0.661 nan 8.300 nan 0.000 0.480 77 H N 1.008 120.213 119.070 0.225 0.000 2.372 77 H HA 0.368 4.928 4.556 0.006 0.000 0.301 77 H C -0.265 175.158 175.328 0.158 0.000 1.065 77 H CA 1.266 57.400 56.048 0.142 0.000 1.364 77 H CB 0.395 30.218 29.762 0.101 0.000 1.406 77 H HN 0.580 nan 8.280 nan 0.000 0.521 78 A N 0.189 123.135 122.820 0.210 0.000 2.608 78 A HA 0.478 4.802 4.320 0.007 0.000 0.292 78 A C -1.472 176.183 177.584 0.118 0.000 1.066 78 A CA -0.544 51.592 52.037 0.164 0.000 0.676 78 A CB 1.440 20.603 19.000 0.271 0.000 1.277 78 A HN 0.012 nan 8.150 nan 0.000 0.413 79 V N 1.103 121.062 119.914 0.074 0.000 2.370 79 V HA 0.514 4.638 4.120 0.007 0.000 0.283 79 V C -0.484 175.649 176.094 0.065 0.000 1.023 79 V CA -0.480 61.813 62.300 -0.011 0.000 0.857 79 V CB 1.350 33.141 31.823 -0.054 0.000 0.985 79 V HN 0.662 nan 8.190 nan 0.000 0.443 80 V N 4.197 124.131 119.914 0.034 0.000 2.326 80 V HA 0.369 4.493 4.120 0.007 0.000 0.281 80 V C 0.315 176.441 176.094 0.055 0.000 1.015 80 V CA -0.202 62.142 62.300 0.073 0.000 0.823 80 V CB 1.642 33.485 31.823 0.033 0.000 1.009 80 V HN 0.872 nan 8.190 nan 0.000 0.436 81 S N 4.735 120.487 115.700 0.087 0.000 2.499 81 S HA 0.564 5.038 4.470 0.007 0.000 0.279 81 S C 0.209 174.879 174.600 0.116 0.000 1.219 81 S CA -0.516 57.733 58.200 0.082 0.000 1.062 81 S CB 0.863 64.125 63.200 0.104 0.000 0.978 81 S HN 0.537 nan 8.310 nan 0.000 0.489 82 L N 5.915 127.174 121.223 0.060 0.000 2.818 82 L HA 0.376 4.720 4.340 0.007 0.000 0.243 82 L C 1.407 178.313 176.870 0.060 0.000 1.185 82 L CA 0.303 55.170 54.840 0.046 0.000 0.988 82 L CB -0.181 41.787 42.059 -0.151 0.000 1.292 82 L HN 0.646 nan 8.230 nan 0.000 0.519 83 L N 0.101 121.380 121.223 0.092 0.000 2.191 83 L HA -0.173 4.171 4.340 0.007 0.000 0.212 83 L C 2.682 179.639 176.870 0.146 0.000 1.103 83 L CA 1.081 55.977 54.840 0.094 0.000 0.769 83 L CB -0.622 41.501 42.059 0.106 0.000 0.908 83 L HN 0.451 nan 8.230 nan 0.000 0.438 84 A N 0.374 123.333 122.820 0.232 0.000 2.076 84 A HA -0.191 4.133 4.320 0.007 0.000 0.220 84 A C 2.519 180.276 177.584 0.288 0.000 1.160 84 A CA 1.606 53.802 52.037 0.266 0.000 0.653 84 A CB -0.541 18.651 19.000 0.320 0.000 0.801 84 A HN 0.420 nan 8.150 nan 0.000 0.455 85 A N -0.333 122.685 122.820 0.329 0.000 2.070 85 A HA 0.357 4.682 4.320 0.007 0.000 0.220 85 A C 1.518 179.155 177.584 0.088 0.000 1.159 85 A CA 0.992 53.200 52.037 0.283 0.000 0.656 85 A CB -0.774 18.274 19.000 0.081 0.000 0.800 85 A HN 1.152 nan 8.150 nan 0.000 0.453 86 A N 0.483 123.280 122.820 -0.039 0.000 2.545 86 A HA 0.392 4.716 4.320 0.007 0.000 0.297 86 A C 0.643 178.079 177.584 -0.246 0.000 1.340 86 A CA -0.109 51.689 52.037 -0.397 0.000 1.016 86 A CB -0.259 18.523 19.000 -0.363 0.000 1.122 86 A HN 0.560 nan 8.150 nan 0.000 0.537 87 E N 2.238 122.315 120.200 -0.206 0.000 2.431 87 E HA 0.155 4.509 4.350 0.007 0.000 0.200 87 E C 0.971 177.535 176.600 -0.060 0.000 0.995 87 E CA 0.289 56.652 56.400 -0.062 0.000 0.915 87 E CB 0.289 29.997 29.700 0.014 0.000 0.930 87 E HN 0.818 nan 8.360 nan 0.000 0.496 88 A N 1.721 124.477 122.820 -0.106 0.000 2.531 88 A HA 0.092 4.416 4.320 0.007 0.000 0.236 88 A C 0.270 177.855 177.584 0.002 0.000 1.062 88 A CA 0.006 52.038 52.037 -0.009 0.000 0.760 88 A CB 0.004 19.045 19.000 0.068 0.000 0.995 88 A HN 0.171 nan 8.150 nan 0.000 0.501 89 L N 2.578 123.822 121.223 0.036 0.000 2.461 89 L HA 0.072 4.417 4.340 0.007 0.000 0.272 89 L C 1.240 178.174 176.870 0.107 0.000 1.197 89 L CA -0.265 54.615 54.840 0.066 0.000 0.836 89 L CB 0.193 42.286 42.059 0.056 0.000 1.105 89 L HN 0.776 nan 8.230 nan 0.000 0.477 90 H N 1.470 120.572 119.070 0.053 0.000 2.764 90 H HA -0.013 4.546 4.556 0.007 0.000 0.341 90 H C 0.986 176.339 175.328 0.041 0.000 1.072 90 H CA 0.453 56.546 56.048 0.074 0.000 1.444 90 H CB 1.506 31.346 29.762 0.130 0.000 1.458 90 H HN 0.799 nan 8.280 nan 0.000 0.572 91 T N 0.590 115.182 114.554 0.063 0.000 2.929 91 T HA -0.122 4.232 4.350 0.007 0.000 0.271 91 T C 0.729 175.495 174.700 0.111 0.000 1.085 91 T CA 1.430 63.574 62.100 0.074 0.000 1.125 91 T CB 0.179 69.041 68.868 -0.009 0.000 0.874 91 T HN 0.550 nan 8.240 nan 0.000 0.494 92 D N 0.229 120.782 120.400 0.255 0.000 2.407 92 D HA 0.078 4.722 4.640 0.007 0.000 0.208 92 D C -0.005 175.954 176.300 -0.568 0.000 1.083 92 D CA 0.185 54.078 54.000 -0.179 0.000 0.844 92 D CB 0.271 40.876 40.800 -0.326 0.000 0.967 92 D HN 0.552 nan 8.370 nan 0.000 0.506 93 H N -0.195 118.899 119.070 0.039 0.000 2.808 93 H HA 0.284 4.845 4.556 0.007 0.000 0.268 93 H C 1.088 176.422 175.328 0.009 0.000 1.306 93 H CA -0.319 55.688 56.048 -0.069 0.000 1.565 93 H CB 1.051 30.667 29.762 -0.243 0.000 1.632 93 H HN -0.041 nan 8.280 nan 0.000 0.525 94 G N 0.900 109.745 108.800 0.075 0.000 2.679 94 G HA2 -0.130 3.834 3.960 0.007 0.000 0.212 94 G HA3 -0.130 3.834 3.960 0.007 0.000 0.212 94 G C 0.925 175.847 174.900 0.037 0.000 1.137 94 G CA 0.218 45.355 45.100 0.062 0.000 0.787 94 G HN 0.333 nan 8.290 nan 0.000 0.534 95 S N -0.591 115.125 115.700 0.028 0.000 2.540 95 S HA 0.249 4.723 4.470 0.007 0.000 0.218 95 S C 0.251 174.835 174.600 -0.028 0.000 0.977 95 S CA -0.277 57.908 58.200 -0.025 0.000 0.918 95 S CB 0.911 64.087 63.200 -0.039 0.000 0.806 95 S HN 0.048 nan 8.310 nan 0.000 0.496 96 V N 4.147 124.078 119.914 0.027 0.000 2.328 96 V HA 0.339 4.463 4.120 0.007 0.000 0.278 96 V C -2.651 173.484 176.094 0.069 0.000 1.021 96 V CA -2.385 59.933 62.300 0.030 0.000 0.838 96 V CB 1.050 32.886 31.823 0.022 0.000 0.999 96 V HN 0.033 nan 8.190 nan 0.000 0.447 97 P HA 0.029 nan 4.420 nan 0.000 0.265 97 P C 0.763 178.114 177.300 0.086 0.000 1.193 97 P CA -0.141 62.986 63.100 0.044 0.000 0.765 97 P CB 0.756 32.474 31.700 0.030 0.000 0.823 98 L N 4.589 125.855 121.223 0.071 0.000 2.042 98 L HA -0.114 4.231 4.340 0.007 0.000 0.210 98 L C 2.174 179.110 176.870 0.110 0.000 1.076 98 L CA 2.603 57.507 54.840 0.106 0.000 0.749 98 L CB -1.532 40.531 42.059 0.007 0.000 0.893 98 L HN 0.520 nan 8.230 nan 0.000 0.432 99 G N -0.882 107.950 108.800 0.054 0.000 2.443 99 G HA2 -0.250 3.715 3.960 0.007 0.000 0.219 99 G HA3 -0.250 3.715 3.960 0.007 0.000 0.219 99 G C 1.565 176.543 174.900 0.130 0.000 1.131 99 G CA 0.854 46.011 45.100 0.095 0.000 0.775 99 G HN 0.425 nan 8.290 nan 0.000 0.547 100 L N 1.061 122.352 121.223 0.112 0.000 2.044 100 L HA 0.260 4.604 4.340 0.007 0.000 0.205 100 L C 3.075 180.008 176.870 0.105 0.000 1.075 100 L CA 2.011 56.915 54.840 0.106 0.000 0.747 100 L CB -0.588 41.519 42.059 0.080 0.000 0.903 100 L HN 0.196 nan 8.230 nan 0.000 0.435 101 A N -0.925 121.962 122.820 0.112 0.000 1.865 101 A HA -0.286 4.038 4.320 0.007 0.000 0.217 101 A C 2.203 179.881 177.584 0.157 0.000 1.191 101 A CA 2.040 54.137 52.037 0.100 0.000 0.623 101 A CB -0.724 18.377 19.000 0.169 0.000 0.826 101 A HN 0.652 nan 8.150 nan 0.000 0.444 102 Q N -1.053 118.897 119.800 0.250 0.000 2.124 102 Q HA -0.131 4.214 4.340 0.007 0.000 0.202 102 Q C 2.177 178.403 176.000 0.377 0.000 0.977 102 Q CA 1.831 57.887 55.803 0.421 0.000 0.850 102 Q CB -0.399 28.583 28.738 0.408 0.000 0.901 102 Q HN 0.705 nan 8.270 nan 0.000 0.429 103 T N 1.563 116.260 114.554 0.239 0.000 2.746 103 T HA -0.142 4.212 4.350 0.007 0.000 0.267 103 T C 1.789 176.596 174.700 0.178 0.000 1.039 103 T CA 0.975 63.198 62.100 0.205 0.000 1.142 103 T CB -0.264 68.705 68.868 0.169 0.000 0.866 103 T HN 0.156 nan 8.240 nan 0.000 0.444 104 L N 0.859 122.158 121.223 0.128 0.000 2.012 104 L HA -0.019 4.325 4.340 0.007 0.000 0.210 104 L C 2.182 179.105 176.870 0.088 0.000 1.073 104 L CA 1.683 56.567 54.840 0.073 0.000 0.748 104 L CB -0.585 41.489 42.059 0.025 0.000 0.891 104 L HN 0.233 nan 8.230 nan 0.000 0.431 105 L N -1.410 119.882 121.223 0.114 0.000 2.093 105 L HA -0.179 4.165 4.340 0.007 0.000 0.208 105 L C 2.424 179.462 176.870 0.280 0.000 1.085 105 L CA 0.805 55.685 54.840 0.067 0.000 0.755 105 L CB -0.505 41.431 42.059 -0.207 0.000 0.904 105 L HN 0.387 nan 8.230 nan 0.000 0.435 106 L N 0.274 121.777 121.223 0.467 0.000 1.994 106 L HA -0.163 4.181 4.340 0.007 0.000 0.208 106 L C 2.642 179.627 176.870 0.191 0.000 1.071 106 L CA 2.142 57.220 54.840 0.397 0.000 0.745 106 L CB -0.807 41.422 42.059 0.284 0.000 0.892 106 L HN 0.140 nan 8.230 nan 0.000 0.431 107 A N -1.145 121.757 122.820 0.136 0.000 1.940 107 A HA -0.282 4.042 4.320 0.007 0.000 0.219 107 A C 2.179 179.741 177.584 -0.036 0.000 1.176 107 A CA 2.035 54.099 52.037 0.045 0.000 0.631 107 A CB -0.594 18.429 19.000 0.037 0.000 0.814 107 A HN 0.714 nan 8.150 nan 0.000 0.446 108 Q N -0.880 118.921 119.800 0.002 0.000 2.049 108 Q HA -0.006 4.338 4.340 0.007 0.000 0.198 108 Q C 2.439 178.437 176.000 -0.004 0.000 0.971 108 Q CA 1.318 57.105 55.803 -0.028 0.000 0.833 108 Q CB -0.348 28.381 28.738 -0.016 0.000 0.896 108 Q HN 0.664 nan 8.270 nan 0.000 0.434 109 A N 0.704 123.565 122.820 0.069 0.000 1.969 109 A HA -0.105 4.219 4.320 0.007 0.000 0.218 109 A C 2.044 179.653 177.584 0.042 0.000 1.169 109 A CA 0.838 52.928 52.037 0.089 0.000 0.635 109 A CB -0.541 18.601 19.000 0.236 0.000 0.810 109 A HN 0.262 nan 8.150 nan 0.000 0.445 110 L N -0.738 120.499 121.223 0.024 0.000 2.046 110 L HA -0.137 4.208 4.340 0.007 0.000 0.208 110 L C 2.847 179.699 176.870 -0.029 0.000 1.077 110 L CA 1.139 55.971 54.840 -0.014 0.000 0.747 110 L CB -0.794 41.256 42.059 -0.014 0.000 0.896 110 L HN 0.486 nan 8.230 nan 0.000 0.432 111 G N -0.334 108.428 108.800 -0.065 0.000 2.446 111 G HA2 -0.270 3.694 3.960 0.007 0.000 0.217 111 G HA3 -0.270 3.694 3.960 0.007 0.000 0.217 111 G C 1.132 176.013 174.900 -0.032 0.000 1.168 111 G CA 0.944 45.997 45.100 -0.079 0.000 0.771 111 G HN 0.298 nan 8.290 nan 0.000 0.551 112 D N 1.052 121.439 120.400 -0.020 0.000 2.123 112 D HA -0.051 4.593 4.640 0.007 0.000 0.196 112 D C 2.649 178.951 176.300 0.003 0.000 0.992 112 D CA 1.378 55.377 54.000 -0.003 0.000 0.833 112 D CB -0.369 40.435 40.800 0.007 0.000 0.954 112 D HN 0.343 nan 8.370 nan 0.000 0.455 113 A N -0.558 122.264 122.820 0.004 0.000 2.218 113 A HA 0.413 4.738 4.320 0.007 0.000 0.209 113 A C 1.715 179.303 177.584 0.007 0.000 1.168 113 A CA 1.066 53.106 52.037 0.005 0.000 0.804 113 A CB -0.107 18.891 19.000 -0.004 0.000 0.834 113 A HN 0.265 nan 8.150 nan 0.000 0.482 114 G N -1.413 107.390 108.800 0.005 0.000 2.136 114 G HA2 -0.176 3.789 3.960 0.007 0.000 0.242 114 G HA3 -0.176 3.789 3.960 0.007 0.000 0.242 114 G C -0.169 174.744 174.900 0.022 0.000 0.989 114 G CA 0.170 45.276 45.100 0.011 0.000 0.682 114 G HN 0.353 nan 8.290 nan 0.000 0.522 115 L N 1.337 122.574 121.223 0.023 0.000 2.360 115 L HA 0.527 4.872 4.340 0.007 0.000 0.276 115 L C 1.739 178.633 176.870 0.040 0.000 1.121 115 L CA 1.217 56.088 54.840 0.053 0.000 0.845 115 L CB 1.453 43.543 42.059 0.051 0.000 1.143 115 L HN 0.359 nan 8.230 nan 0.000 0.452 116 T N -0.884 113.700 114.554 0.051 0.000 3.044 116 T HA 0.437 4.791 4.350 0.007 0.000 0.260 116 T C 0.661 175.379 174.700 0.030 0.000 1.019 116 T CA 0.052 62.171 62.100 0.032 0.000 0.921 116 T CB 0.248 69.131 68.868 0.025 0.000 1.053 116 T HN 0.516 nan 8.240 nan 0.000 0.533 117 A N 2.999 125.853 122.820 0.057 0.000 2.462 117 A HA 0.550 4.874 4.320 0.007 0.000 0.243 117 A C -2.444 175.141 177.584 0.001 0.000 1.076 117 A CA -1.356 50.705 52.037 0.041 0.000 0.773 117 A CB -0.265 18.808 19.000 0.122 0.000 1.010 117 A HN 0.240 nan 8.150 nan 0.000 0.493 118 P HA 0.160 nan 4.420 nan 0.000 0.264 118 P C -0.604 176.606 177.300 -0.151 0.000 1.193 118 P CA -0.072 62.950 63.100 -0.131 0.000 0.763 118 P CB 0.311 31.901 31.700 -0.184 0.000 0.810 119 L N 5.476 126.555 121.223 -0.240 0.000 2.290 119 L HA 0.448 4.792 4.340 0.007 0.000 0.284 119 L C -1.304 175.159 176.870 -0.680 0.000 1.078 119 L CA -0.286 54.422 54.840 -0.220 0.000 0.815 119 L CB -0.111 41.948 42.059 0.001 0.000 1.162 119 L HN 0.295 nan 8.230 nan 0.000 0.435 120 W N 4.703 125.788 121.300 -0.358 0.000 2.475 120 W HA 0.530 5.193 4.660 0.006 0.000 0.317 120 W C -0.660 175.708 176.519 -0.253 0.000 1.046 120 W CA -0.360 56.733 57.345 -0.419 0.000 1.215 120 W CB 1.638 30.942 29.460 -0.261 0.000 1.335 120 W HN 0.442 nan 8.180 nan 0.000 0.471 121 C N 5.230 124.506 119.300 -0.040 0.000 2.264 121 C HA 0.550 5.014 4.460 0.007 0.000 0.324 121 C C 0.315 175.356 174.990 0.084 0.000 1.267 121 C CA -0.846 58.212 59.018 0.068 0.000 1.618 121 C CB -0.949 26.858 27.740 0.110 0.000 2.278 121 C HN 0.433 nan 8.230 nan 0.000 0.499 122 L N 4.122 125.454 121.223 0.182 0.000 2.334 122 L HA 0.698 5.042 4.340 0.007 0.000 0.277 122 L C 0.671 177.674 176.870 0.221 0.000 1.075 122 L CA 0.185 55.160 54.840 0.224 0.000 0.804 122 L CB 1.369 43.636 42.059 0.347 0.000 1.174 122 L HN 0.782 nan 8.230 nan 0.000 0.438 123 T N -0.614 113.966 114.554 0.044 0.000 2.838 123 T HA 0.704 5.058 4.350 0.007 0.000 0.292 123 T C -0.761 173.560 174.700 -0.632 0.000 1.113 123 T CA -0.970 61.056 62.100 -0.122 0.000 1.008 123 T CB 2.495 71.516 68.868 0.255 0.000 1.259 123 T HN 0.388 nan 8.240 nan 0.000 0.520 124 R N -0.223 119.811 120.500 -0.776 0.000 2.507 124 R HA 0.616 4.960 4.340 0.007 0.000 0.298 124 R C 0.557 176.614 176.300 -0.405 0.000 1.087 124 R CA -0.257 55.352 56.100 -0.818 0.000 0.917 124 R CB 0.182 29.544 30.300 -1.563 0.000 1.173 124 R HN 1.614 nan 8.270 nan 0.000 0.472 125 G N 1.877 110.511 108.800 -0.276 0.000 2.132 125 G HA2 -0.227 3.737 3.960 0.007 0.000 0.234 125 G HA3 -0.227 3.737 3.960 0.007 0.000 0.234 125 G C 0.558 175.352 174.900 -0.176 0.000 0.989 125 G CA 0.220 45.202 45.100 -0.197 0.000 0.676 125 G HN 0.854 nan 8.290 nan 0.000 0.522 126 G N -1.092 107.600 108.800 -0.179 0.000 2.986 126 G HA2 0.543 4.507 3.960 0.007 0.000 0.213 126 G HA3 0.543 4.507 3.960 0.007 0.000 0.213 126 G C 0.645 175.302 174.900 -0.406 0.000 1.156 126 G CA 1.341 46.339 45.100 -0.171 0.000 0.763 126 G HN 1.748 nan 8.290 nan 0.000 0.547 127 V N -3.706 115.920 119.914 -0.479 0.000 3.078 127 V HA 0.876 5.000 4.120 0.007 0.000 0.311 127 V C -0.703 175.121 176.094 -0.450 0.000 1.138 127 V CA -1.337 60.632 62.300 -0.550 0.000 1.007 127 V CB 1.631 32.960 31.823 -0.824 0.000 1.045 127 V HN 0.297 nan 8.190 nan 0.000 0.432 128 A N 2.148 124.745 122.820 -0.372 0.000 2.322 128 A HA 0.931 5.255 4.320 0.007 0.000 0.327 128 A C 0.172 177.418 177.584 -0.565 0.000 1.394 128 A CA 0.067 51.899 52.037 -0.341 0.000 0.921 128 A CB 0.049 18.952 19.000 -0.162 0.000 1.153 128 A HN 2.195 nan 8.150 nan 0.000 0.523 129 A N 2.483 124.832 122.820 -0.785 0.000 2.332 129 A HA 0.872 5.196 4.320 0.007 0.000 0.300 129 A C 0.427 177.719 177.584 -0.487 0.000 1.153 129 A CA 0.123 51.489 52.037 -1.118 0.000 0.764 129 A CB 0.424 18.333 19.000 -1.817 0.000 1.174 129 A HN 2.736 nan 8.150 nan 0.000 0.467 130 G N 2.166 110.820 108.800 -0.242 0.000 2.707 130 G HA2 -0.005 3.959 3.960 0.007 0.000 0.686 130 G HA3 -0.005 3.959 3.960 0.007 0.000 0.686 130 G C 0.321 175.177 174.900 -0.073 0.000 1.315 130 G CA 0.292 45.336 45.100 -0.095 0.000 0.832 130 G HN 1.750 nan 8.290 nan 0.000 0.573 131 R N -0.229 120.251 120.500 -0.035 0.000 2.070 131 R HA 0.205 4.549 4.340 0.007 0.000 0.233 131 R C 2.146 178.423 176.300 -0.037 0.000 1.137 131 R CA 2.151 58.238 56.100 -0.021 0.000 0.945 131 R CB -0.484 29.814 30.300 -0.003 0.000 0.845 131 R HN 1.479 nan 8.270 nan 0.000 0.430 132 G N 0.659 109.430 108.800 -0.047 0.000 3.814 132 G HA2 0.060 4.024 3.960 0.007 0.000 0.293 132 G HA3 0.060 4.024 3.960 0.007 0.000 0.293 132 G C -1.117 173.740 174.900 -0.072 0.000 1.243 132 G CA -0.453 44.617 45.100 -0.050 0.000 1.053 132 G HN 0.222 nan 8.290 nan 0.000 0.562 133 D N 0.182 120.523 120.400 -0.098 0.000 2.372 133 D HA 0.279 4.923 4.640 0.007 0.000 0.243 133 D C -0.011 176.218 176.300 -0.119 0.000 1.121 133 D CA 0.063 53.985 54.000 -0.129 0.000 0.898 133 D CB 1.658 42.338 40.800 -0.200 0.000 1.202 133 D HN -0.080 nan 8.370 nan 0.000 0.428 134 V N 4.770 124.617 119.914 -0.111 0.000 2.347 134 V HA 0.194 4.318 4.120 0.007 0.000 0.280 134 V C 0.191 176.230 176.094 -0.091 0.000 1.021 134 V CA -0.819 61.427 62.300 -0.091 0.000 0.847 134 V CB 1.313 33.094 31.823 -0.069 0.000 0.990 134 V HN 0.495 nan 8.190 nan 0.000 0.444 135 L N 5.384 126.559 121.223 -0.079 0.000 2.407 135 L HA 0.193 4.537 4.340 0.007 0.000 0.282 135 L C 1.469 178.378 176.870 0.064 0.000 1.110 135 L CA 0.132 54.930 54.840 -0.070 0.000 0.863 135 L CB 1.223 43.224 42.059 -0.097 0.000 1.207 135 L HN 0.885 nan 8.230 nan 0.000 0.454 136 S N 0.930 116.637 115.700 0.012 0.000 2.492 136 S HA 0.038 4.512 4.470 0.007 0.000 0.218 136 S C 0.814 175.368 174.600 -0.078 0.000 1.016 136 S CA 0.059 58.297 58.200 0.064 0.000 0.916 136 S CB 0.298 63.503 63.200 0.009 0.000 0.791 136 S HN 0.534 nan 8.310 nan 0.000 0.513 137 S N 2.496 118.121 115.700 -0.124 0.000 2.395 137 S HA 0.486 4.960 4.470 0.007 0.000 0.207 137 S C -2.283 172.238 174.600 -0.131 0.000 1.454 137 S CA -1.543 56.575 58.200 -0.136 0.000 1.211 137 S CB 1.175 64.340 63.200 -0.059 0.000 1.093 137 S HN 0.053 nan 8.310 nan 0.000 0.472 138 P HA -0.133 nan 4.420 nan 0.000 0.216 138 P C 1.825 179.164 177.300 0.065 0.000 1.150 138 P CA 1.331 64.319 63.100 -0.187 0.000 0.837 138 P CB -0.381 31.066 31.700 -0.422 0.000 0.786 139 V N -1.383 118.630 119.914 0.165 0.000 2.324 139 V HA -0.301 3.823 4.120 0.007 0.000 0.250 139 V C 2.306 178.498 176.094 0.164 0.000 1.060 139 V CA 1.842 64.266 62.300 0.206 0.000 1.042 139 V CB -2.112 29.778 31.823 0.112 0.000 0.650 139 V HN 0.091 nan 8.190 nan 0.000 0.450 140 Q N 1.012 120.886 119.800 0.122 0.000 2.167 140 Q HA 0.001 4.345 4.340 0.007 0.000 0.202 140 Q C 2.432 178.573 176.000 0.235 0.000 0.970 140 Q CA 1.378 57.280 55.803 0.166 0.000 0.855 140 Q CB -0.567 28.247 28.738 0.127 0.000 0.911 140 Q HN 0.787 nan 8.270 nan 0.000 0.438 141 G N 1.093 109.971 108.800 0.131 0.000 2.450 141 G HA2 -0.275 3.689 3.960 0.007 0.000 0.220 141 G HA3 -0.275 3.689 3.960 0.007 0.000 0.220 141 G C 1.494 176.524 174.900 0.216 0.000 1.130 141 G CA 0.869 46.026 45.100 0.096 0.000 0.760 141 G HN 0.420 nan 8.290 nan 0.000 0.557 142 A N 0.528 123.484 122.820 0.227 0.000 1.978 142 A HA 0.034 4.358 4.320 0.007 0.000 0.220 142 A C 2.378 180.098 177.584 0.225 0.000 1.170 142 A CA 1.256 53.426 52.037 0.223 0.000 0.636 142 A CB -0.378 18.748 19.000 0.210 0.000 0.810 142 A HN 0.385 nan 8.150 nan 0.000 0.448 143 L N -2.400 118.982 121.223 0.266 0.000 2.127 143 L HA -0.227 4.117 4.340 0.007 0.000 0.211 143 L C 2.426 179.443 176.870 0.246 0.000 1.089 143 L CA 1.106 56.086 54.840 0.234 0.000 0.757 143 L CB -0.342 41.863 42.059 0.244 0.000 0.899 143 L HN 0.636 nan 8.230 nan 0.000 0.434 144 W N -0.451 120.924 121.300 0.125 0.000 2.436 144 W HA -0.019 4.646 4.660 0.008 0.000 0.284 144 W C 2.460 179.034 176.519 0.092 0.000 1.225 144 W CA 1.043 58.474 57.345 0.143 0.000 1.271 144 W CB -1.066 28.486 29.460 0.153 0.000 1.114 144 W HN 0.078 nan 8.180 nan 0.000 0.559 145 G N 0.398 109.354 108.800 0.259 0.000 2.421 145 G HA2 -0.255 3.709 3.960 0.007 0.000 0.216 145 G HA3 -0.255 3.709 3.960 0.007 0.000 0.216 145 G C 1.480 176.411 174.900 0.052 0.000 1.171 145 G CA 1.143 46.319 45.100 0.126 0.000 0.775 145 G HN 0.192 nan 8.290 nan 0.000 0.543 146 L N 1.651 122.899 121.223 0.042 0.000 1.989 146 L HA 0.063 4.408 4.340 0.007 0.000 0.211 146 L C 2.820 179.602 176.870 -0.146 0.000 1.071 146 L CA 2.700 57.524 54.840 -0.026 0.000 0.749 146 L CB -1.109 40.956 42.059 0.009 0.000 0.890 146 L HN 0.175 nan 8.230 nan 0.000 0.431 147 G N -0.971 107.754 108.800 -0.126 0.000 2.440 147 G HA2 -0.282 3.682 3.960 0.007 0.000 0.218 147 G HA3 -0.282 3.682 3.960 0.007 0.000 0.218 147 G C 1.733 176.276 174.900 -0.594 0.000 1.154 147 G CA 0.872 45.740 45.100 -0.387 0.000 0.767 147 G HN 0.434 nan 8.290 nan 0.000 0.552 148 R N -0.354 120.034 120.500 -0.186 0.000 2.105 148 R HA -0.048 4.296 4.340 0.007 0.000 0.239 148 R C 2.599 178.743 176.300 -0.259 0.000 1.135 148 R CA 1.199 57.219 56.100 -0.132 0.000 0.967 148 R CB -0.433 29.920 30.300 0.087 0.000 0.861 148 R HN 0.335 nan 8.270 nan 0.000 0.442 149 V N 1.087 120.861 119.914 -0.233 0.000 2.453 149 V HA -0.171 3.953 4.120 0.007 0.000 0.247 149 V C 2.155 178.042 176.094 -0.346 0.000 1.048 149 V CA 1.413 63.587 62.300 -0.209 0.000 1.049 149 V CB -0.306 31.450 31.823 -0.113 0.000 0.672 149 V HN 0.273 nan 8.190 nan 0.000 0.457 150 I N 0.998 121.249 120.570 -0.532 0.000 2.286 150 I HA -0.174 4.001 4.170 0.007 0.000 0.248 150 I C 2.565 178.237 176.117 -0.741 0.000 1.115 150 I CA 1.691 62.641 61.300 -0.585 0.000 1.392 150 I CB -0.877 36.605 38.000 -0.863 0.000 1.065 150 I HN 0.413 nan 8.210 nan 0.000 0.418 151 G N 0.990 109.077 108.800 -1.187 0.000 2.432 151 G HA2 -0.163 3.801 3.960 0.007 0.000 0.219 151 G HA3 -0.163 3.801 3.960 0.007 0.000 0.219 151 G C 1.702 176.393 174.900 -0.348 0.000 1.135 151 G CA 0.430 45.066 45.100 -0.772 0.000 0.767 151 G HN 0.285 nan 8.290 nan 0.000 0.550 152 L N -0.323 120.687 121.223 -0.355 0.000 2.179 152 L HA 0.084 4.428 4.340 0.007 0.000 0.208 152 L C 2.738 179.436 176.870 -0.287 0.000 1.096 152 L CA 0.911 55.563 54.840 -0.312 0.000 0.779 152 L CB -0.150 41.741 42.059 -0.280 0.000 0.922 152 L HN 0.254 nan 8.230 nan 0.000 0.443 153 E N -1.448 118.558 120.200 -0.322 0.000 2.216 153 E HA 0.015 4.370 4.350 0.007 0.000 0.192 153 E C 0.338 176.524 176.600 -0.690 0.000 0.973 153 E CA 0.435 56.558 56.400 -0.462 0.000 0.851 153 E CB 0.416 29.836 29.700 -0.468 0.000 0.804 153 E HN 0.458 nan 8.360 nan 0.000 0.477 154 H N 0.285 119.277 119.070 -0.129 0.000 2.471 154 H HA 0.148 4.708 4.556 0.007 0.000 0.234 154 H C -1.856 173.456 175.328 -0.026 0.000 1.388 154 H CA -1.579 54.431 56.048 -0.064 0.000 1.198 154 H CB 0.713 30.449 29.762 -0.043 0.000 1.714 154 H HN 0.130 nan 8.280 nan 0.000 0.536 155 P HA -0.121 nan 4.420 nan 0.000 0.222 155 P C 0.722 178.059 177.300 0.062 0.000 1.147 155 P CA 1.007 64.121 63.100 0.023 0.000 0.790 155 P CB 0.612 32.281 31.700 -0.052 0.000 0.780 156 D N -0.007 120.426 120.400 0.055 0.000 2.333 156 D HA -0.029 4.615 4.640 0.007 0.000 0.208 156 D C 1.768 178.095 176.300 0.044 0.000 0.984 156 D CA 0.620 54.643 54.000 0.038 0.000 0.873 156 D CB 0.091 40.908 40.800 0.028 0.000 0.935 156 D HN 0.467 nan 8.370 nan 0.000 0.521 157 R N -0.644 119.907 120.500 0.086 0.000 2.543 157 R HA 0.123 4.467 4.340 0.007 0.000 0.323 157 R C 0.189 176.550 176.300 0.101 0.000 1.002 157 R CA -0.502 55.638 56.100 0.067 0.000 1.106 157 R CB -0.150 30.183 30.300 0.054 0.000 1.280 157 R HN 0.008 nan 8.270 nan 0.000 0.549 158 W N 1.362 122.575 121.300 -0.145 0.000 2.376 158 W HA 0.392 5.056 4.660 0.006 0.000 0.312 158 W C -0.267 176.002 176.519 -0.416 0.000 1.060 158 W CA -0.531 56.666 57.345 -0.246 0.000 1.221 158 W CB 1.835 31.181 29.460 -0.190 0.000 1.281 158 W HN 0.191 nan 8.180 nan 0.000 0.456 159 G N 3.108 111.074 108.800 -1.389 0.000 2.518 159 G HA2 0.382 4.346 3.960 0.007 0.000 0.213 159 G HA3 0.382 4.346 3.960 0.007 0.000 0.213 159 G C 0.335 173.609 174.900 -2.711 0.000 1.226 159 G CA 0.913 44.740 45.100 -2.122 0.000 0.822 159 G HN 0.831 nan 8.290 nan 0.000 0.546 160 G N -1.687 105.328 108.800 -2.975 0.000 2.345 160 G HA2 0.362 4.326 3.960 0.007 0.000 0.285 160 G HA3 0.362 4.326 3.960 0.007 0.000 0.285 160 G C -1.911 172.518 174.900 -0.785 0.000 1.297 160 G CA -0.867 43.252 45.100 -1.635 0.000 0.875 160 G HN 0.458 nan 8.290 nan 0.000 0.506 161 L N 0.159 121.227 121.223 -0.257 0.000 2.346 161 L HA 0.795 5.139 4.340 0.007 0.000 0.276 161 L C -0.362 176.474 176.870 -0.057 0.000 1.006 161 L CA -0.783 53.837 54.840 -0.367 0.000 0.817 161 L CB 1.950 43.275 42.059 -1.223 0.000 1.272 161 L HN 0.463 nan 8.230 nan 0.000 0.421 162 I N 1.576 122.188 120.570 0.070 0.000 2.512 162 I HA 0.238 4.412 4.170 0.007 0.000 0.287 162 I C -1.099 175.196 176.117 0.297 0.000 1.069 162 I CA -0.469 60.979 61.300 0.247 0.000 1.056 162 I CB 2.270 40.346 38.000 0.126 0.000 1.229 162 I HN 0.503 nan 8.210 nan 0.000 0.429 163 D N 6.057 126.706 120.400 0.415 0.000 2.210 163 D HA 0.538 5.182 4.640 0.007 0.000 0.249 163 D C -0.780 175.528 176.300 0.013 0.000 1.078 163 D CA -0.044 54.072 54.000 0.194 0.000 0.875 163 D CB 1.186 42.048 40.800 0.103 0.000 1.175 163 D HN 0.311 nan 8.370 nan 0.000 0.440 164 L N 4.832 125.990 121.223 -0.109 0.000 2.360 164 L HA 0.545 4.889 4.340 0.007 0.000 0.271 164 L C -1.850 174.938 176.870 -0.136 0.000 1.057 164 L CA -1.883 52.898 54.840 -0.098 0.000 0.803 164 L CB 1.619 43.629 42.059 -0.083 0.000 1.207 164 L HN 0.398 nan 8.230 nan 0.000 0.445 165 P HA 0.057 nan 4.420 nan 0.000 0.277 165 P C -0.096 177.172 177.300 -0.054 0.000 1.271 165 P CA -0.364 62.690 63.100 -0.076 0.000 0.795 165 P CB 0.855 32.528 31.700 -0.045 0.000 1.101 166 E N 0.708 120.881 120.200 -0.045 0.000 2.110 166 E HA -0.102 4.252 4.350 0.007 0.000 0.193 166 E C 0.113 176.732 176.600 0.031 0.000 0.988 166 E CA 1.422 57.814 56.400 -0.013 0.000 0.804 166 E CB -0.729 28.959 29.700 -0.020 0.000 0.745 166 E HN 0.518 nan 8.360 nan 0.000 0.458 167 T N -1.210 113.356 114.554 0.021 0.000 2.809 167 T HA 0.539 4.893 4.350 0.007 0.000 0.284 167 T C -0.426 174.296 174.700 0.035 0.000 0.992 167 T CA -0.921 61.201 62.100 0.037 0.000 0.957 167 T CB 1.777 70.659 68.868 0.024 0.000 0.942 167 T HN -0.090 nan 8.240 nan 0.000 0.439 168 V N 4.950 124.898 119.914 0.057 0.000 2.222 168 V HA 0.208 4.332 4.120 0.007 0.000 0.253 168 V C 0.563 176.676 176.094 0.033 0.000 1.210 168 V CA -0.728 61.603 62.300 0.052 0.000 1.079 168 V CB -1.078 30.798 31.823 0.088 0.000 1.265 168 V HN 1.017 nan 8.190 nan 0.000 0.494 169 D N 2.528 122.939 120.400 0.019 0.000 2.414 169 D HA 0.056 4.700 4.640 0.007 0.000 0.259 169 D C 1.551 177.855 176.300 0.007 0.000 1.269 169 D CA 0.247 54.253 54.000 0.011 0.000 1.028 169 D CB 0.638 41.443 40.800 0.007 0.000 1.093 169 D HN 0.373 nan 8.370 nan 0.000 0.545 170 T N -2.725 111.831 114.554 0.003 0.000 2.915 170 T HA -0.150 4.204 4.350 0.007 0.000 0.269 170 T C 1.890 176.588 174.700 -0.003 0.000 1.071 170 T CA 1.203 63.303 62.100 -0.001 0.000 1.132 170 T CB -0.210 68.656 68.868 -0.003 0.000 0.878 170 T HN 0.416 nan 8.240 nan 0.000 0.479 171 R N 1.490 121.989 120.500 -0.002 0.000 2.066 171 R HA 0.168 4.512 4.340 0.007 0.000 0.232 171 R C 2.755 179.052 176.300 -0.005 0.000 1.131 171 R CA 1.411 57.509 56.100 -0.004 0.000 0.955 171 R CB -0.908 29.391 30.300 -0.003 0.000 0.851 171 R HN 0.444 nan 8.270 nan 0.000 0.432 172 A N 0.513 123.332 122.820 -0.001 0.000 1.908 172 A HA -0.125 4.199 4.320 0.007 0.000 0.218 172 A C 2.373 179.955 177.584 -0.003 0.000 1.181 172 A CA 1.815 53.851 52.037 -0.001 0.000 0.627 172 A CB -1.063 17.941 19.000 0.006 0.000 0.818 172 A HN 0.532 nan 8.150 nan 0.000 0.445 173 A N -0.303 122.517 122.820 0.000 0.000 1.940 173 A HA 0.121 4.445 4.320 0.007 0.000 0.219 173 A C 2.455 180.026 177.584 -0.022 0.000 1.176 173 A CA 2.218 54.252 52.037 -0.005 0.000 0.631 173 A CB -0.881 18.118 19.000 -0.001 0.000 0.814 173 A HN 1.080 nan 8.150 nan 0.000 0.446 174 A N -0.626 122.182 122.820 -0.020 0.000 1.970 174 A HA -0.020 4.304 4.320 0.007 0.000 0.216 174 A C 2.190 179.754 177.584 -0.034 0.000 1.170 174 A CA 1.214 53.235 52.037 -0.027 0.000 0.645 174 A CB -0.338 18.650 19.000 -0.020 0.000 0.816 174 A HN 0.522 nan 8.150 nan 0.000 0.447 175 R N -0.953 119.531 120.500 -0.027 0.000 2.081 175 R HA -0.089 4.256 4.340 0.007 0.000 0.235 175 R C 2.087 178.351 176.300 -0.060 0.000 1.131 175 R CA 1.409 57.489 56.100 -0.032 0.000 0.960 175 R CB -0.504 29.786 30.300 -0.016 0.000 0.856 175 R HN 0.496 nan 8.270 nan 0.000 0.436 176 L N 0.805 121.991 121.223 -0.061 0.000 2.017 176 L HA -0.171 4.173 4.340 0.007 0.000 0.208 176 L C 2.260 179.043 176.870 -0.145 0.000 1.073 176 L CA 2.424 57.203 54.840 -0.102 0.000 0.745 176 L CB -0.875 41.148 42.059 -0.061 0.000 0.894 176 L HN 0.308 nan 8.230 nan 0.000 0.432 177 T N -3.747 110.744 114.554 -0.105 0.000 2.951 177 T HA 0.006 4.360 4.350 0.007 0.000 0.268 177 T C 1.950 176.578 174.700 -0.119 0.000 1.073 177 T CA 0.675 62.707 62.100 -0.114 0.000 1.134 177 T CB -1.302 67.518 68.868 -0.080 0.000 0.884 177 T HN 0.404 nan 8.240 nan 0.000 0.479 178 G N 2.034 110.777 108.800 -0.095 0.000 2.433 178 G HA2 -0.066 3.898 3.960 0.007 0.000 0.216 178 G HA3 -0.066 3.898 3.960 0.007 0.000 0.216 178 G C 1.495 176.338 174.900 -0.095 0.000 1.186 178 G CA 0.810 45.864 45.100 -0.077 0.000 0.779 178 G HN 0.522 nan 8.290 nan 0.000 0.543 179 L N -0.021 121.117 121.223 -0.141 0.000 2.083 179 L HA -0.010 4.335 4.340 0.007 0.000 0.209 179 L C 2.858 179.534 176.870 -0.323 0.000 1.083 179 L CA 0.512 55.227 54.840 -0.209 0.000 0.752 179 L CB -0.375 41.507 42.059 -0.296 0.000 0.899 179 L HN 0.169 nan 8.230 nan 0.000 0.433 180 L N -0.616 120.373 121.223 -0.389 0.000 2.201 180 L HA -0.147 4.197 4.340 0.007 0.000 0.212 180 L C 2.817 179.683 176.870 -0.006 0.000 1.105 180 L CA 0.819 55.434 54.840 -0.375 0.000 0.775 180 L CB -0.635 41.240 42.059 -0.307 0.000 0.913 180 L HN 0.241 nan 8.230 nan 0.000 0.440 181 A N -1.296 121.495 122.820 -0.049 0.000 1.873 181 A HA -0.131 4.193 4.320 0.007 0.000 0.215 181 A C 0.861 178.516 177.584 0.118 0.000 1.186 181 A CA 1.282 53.317 52.037 -0.004 0.000 0.616 181 A CB -0.004 18.953 19.000 -0.072 0.000 0.823 181 A HN 0.389 nan 8.150 nan 0.000 0.442 182 D N -2.964 117.475 120.400 0.066 0.000 2.804 182 D HA 0.430 5.074 4.640 0.007 0.000 0.209 182 D C -0.478 175.864 176.300 0.070 0.000 1.314 182 D CA 0.303 54.360 54.000 0.094 0.000 0.894 182 D CB 1.558 42.404 40.800 0.075 0.000 1.615 182 D HN 0.079 nan 8.370 nan 0.000 0.571 183 A N 1.840 124.735 122.820 0.126 0.000 2.387 183 A HA 0.508 4.832 4.320 0.007 0.000 0.234 183 A C 1.365 179.025 177.584 0.126 0.000 1.253 183 A CA 0.649 52.766 52.037 0.133 0.000 0.894 183 A CB -0.116 19.060 19.000 0.294 0.000 0.963 183 A HN 1.069 nan 8.150 nan 0.000 0.508 184 G N -1.097 107.764 108.800 0.101 0.000 2.283 184 G HA2 0.097 4.061 3.960 0.007 0.000 0.280 184 G HA3 0.097 4.061 3.960 0.007 0.000 0.280 184 G C 1.466 176.418 174.900 0.088 0.000 1.029 184 G CA 0.949 46.098 45.100 0.082 0.000 0.840 184 G HN 2.088 nan 8.290 nan 0.000 0.505 185 G N -1.894 106.967 108.800 0.102 0.000 2.176 185 G HA2 -0.241 3.723 3.960 0.007 0.000 0.253 185 G HA3 -0.241 3.723 3.960 0.007 0.000 0.253 185 G C 0.198 175.162 174.900 0.108 0.000 0.979 185 G CA 0.798 45.952 45.100 0.090 0.000 0.641 185 G HN 0.907 nan 8.290 nan 0.000 0.530 186 E N 0.747 121.032 120.200 0.140 0.000 2.319 186 E HA 0.482 4.836 4.350 0.007 0.000 0.268 186 E C 0.366 177.093 176.600 0.212 0.000 1.050 186 E CA 0.355 56.854 56.400 0.166 0.000 0.878 186 E CB 1.267 31.072 29.700 0.175 0.000 1.066 186 E HN 0.508 nan 8.360 nan 0.000 0.406 187 D N -0.132 120.380 120.400 0.187 0.000 2.567 187 D HA -0.005 4.639 4.640 0.007 0.000 0.268 187 D C -0.334 176.073 176.300 0.178 0.000 1.448 187 D CA -0.119 53.952 54.000 0.118 0.000 0.811 187 D CB 0.091 40.879 40.800 -0.021 0.000 1.192 187 D HN 0.199 nan 8.370 nan 0.000 0.488 188 Q N 0.907 120.869 119.800 0.271 0.000 2.786 188 Q HA 0.516 4.860 4.340 0.007 0.000 0.240 188 Q C -1.269 175.077 176.000 0.576 0.000 0.928 188 Q CA -0.301 55.745 55.803 0.405 0.000 0.721 188 Q CB 2.172 31.146 28.738 0.394 0.000 1.318 188 Q HN 0.106 nan 8.270 nan 0.000 0.474 189 L N 0.929 122.549 121.223 0.662 0.000 2.354 189 L HA 0.949 5.294 4.340 0.007 0.000 0.264 189 L C -0.691 176.533 176.870 0.590 0.000 1.008 189 L CA -0.872 54.313 54.840 0.576 0.000 0.819 189 L CB 2.124 44.387 42.059 0.340 0.000 1.339 189 L HN 0.497 nan 8.230 nan 0.000 0.420 190 A N 2.872 125.915 122.820 0.372 0.000 2.353 190 A HA 0.731 5.055 4.320 0.007 0.000 0.299 190 A C -0.840 176.765 177.584 0.035 0.000 1.089 190 A CA -0.361 51.721 52.037 0.074 0.000 0.736 190 A CB 0.672 19.464 19.000 -0.348 0.000 1.195 190 A HN 0.613 nan 8.150 nan 0.000 0.447 191 I N 3.427 124.007 120.570 0.017 0.000 2.371 191 I HA 0.371 4.545 4.170 0.007 0.000 0.290 191 I C 0.255 176.348 176.117 -0.040 0.000 1.028 191 I CA -0.289 61.012 61.300 0.001 0.000 1.345 191 I CB 0.637 38.639 38.000 0.004 0.000 1.407 191 I HN 0.605 nan 8.210 nan 0.000 0.501 192 R N 3.490 123.968 120.500 -0.036 0.000 2.869 192 R HA 0.390 4.734 4.340 0.007 0.000 0.263 192 R C 0.959 177.240 176.300 -0.030 0.000 1.066 192 R CA -0.604 55.464 56.100 -0.052 0.000 0.960 192 R CB 0.805 31.062 30.300 -0.073 0.000 1.221 192 R HN 0.685 nan 8.270 nan 0.000 0.474 193 G N 0.305 109.085 108.800 -0.032 0.000 2.513 193 G HA2 -0.308 3.656 3.960 0.007 0.000 0.219 193 G HA3 -0.308 3.656 3.960 0.007 0.000 0.219 193 G C 1.100 175.992 174.900 -0.013 0.000 1.160 193 G CA 1.623 46.711 45.100 -0.020 0.000 0.767 193 G HN 0.578 nan 8.290 nan 0.000 0.571 194 S N -0.576 115.116 115.700 -0.014 0.000 2.527 194 S HA 0.473 4.948 4.470 0.007 0.000 0.222 194 S C 1.013 175.615 174.600 0.004 0.000 0.985 194 S CA 0.802 58.999 58.200 -0.005 0.000 0.921 194 S CB 0.082 63.280 63.200 -0.004 0.000 0.772 194 S HN 1.483 nan 8.310 nan 0.000 0.529 195 G N -0.217 108.585 108.800 0.004 0.000 2.362 195 G HA2 0.296 4.260 3.960 0.007 0.000 0.288 195 G HA3 0.296 4.260 3.960 0.007 0.000 0.288 195 G C -1.616 173.299 174.900 0.025 0.000 1.305 195 G CA -0.468 44.642 45.100 0.017 0.000 0.910 195 G HN 0.465 nan 8.290 nan 0.000 0.518 196 V N 1.087 121.027 119.914 0.042 0.000 2.383 196 V HA 0.580 4.704 4.120 0.007 0.000 0.275 196 V C 0.451 176.610 176.094 0.109 0.000 1.036 196 V CA -0.334 62.007 62.300 0.068 0.000 0.889 196 V CB 0.696 32.559 31.823 0.066 0.000 0.985 196 V HN 0.602 nan 8.190 nan 0.000 0.459 197 L N 4.338 125.653 121.223 0.153 0.000 2.331 197 L HA 0.942 5.287 4.340 0.007 0.000 0.275 197 L C 0.156 177.281 176.870 0.425 0.000 1.022 197 L CA -0.531 54.463 54.840 0.257 0.000 0.812 197 L CB 1.760 43.971 42.059 0.254 0.000 1.257 197 L HN 0.697 nan 8.230 nan 0.000 0.435 198 A N 2.223 125.285 122.820 0.403 0.000 2.435 198 A HA 0.682 5.006 4.320 0.007 0.000 0.304 198 A C -0.843 176.743 177.584 0.002 0.000 1.064 198 A CA -0.721 51.497 52.037 0.303 0.000 0.727 198 A CB 1.690 20.795 19.000 0.174 0.000 1.284 198 A HN 0.774 nan 8.150 nan 0.000 0.415 199 R N 1.025 121.299 120.500 -0.376 0.000 2.390 199 R HA 0.496 4.840 4.340 0.007 0.000 0.291 199 R C -0.731 175.295 176.300 -0.456 0.000 1.070 199 R CA -0.153 55.354 56.100 -0.989 0.000 1.014 199 R CB 0.441 30.183 30.300 -0.930 0.000 1.007 199 R HN 0.689 nan 8.270 nan 0.000 0.466 200 R N 3.541 123.756 120.500 -0.474 0.000 2.725 200 R HA 0.351 4.695 4.340 0.007 0.000 0.277 200 R C -1.403 174.745 176.300 -0.253 0.000 0.987 200 R CA -1.168 54.776 56.100 -0.261 0.000 0.901 200 R CB 1.499 31.679 30.300 -0.199 0.000 1.207 200 R HN 0.436 nan 8.270 nan 0.000 0.463 201 L N 1.409 122.533 121.223 -0.165 0.000 2.295 201 L HA 0.766 5.110 4.340 0.007 0.000 0.285 201 L C -0.762 176.035 176.870 -0.121 0.000 1.035 201 L CA -0.125 54.638 54.840 -0.128 0.000 0.806 201 L CB 1.515 43.518 42.059 -0.094 0.000 1.214 201 L HN 0.830 nan 8.230 nan 0.000 0.426 202 A N 3.198 125.990 122.820 -0.047 0.000 2.539 202 A HA 0.529 4.854 4.320 0.007 0.000 0.296 202 A C -1.037 176.661 177.584 0.191 0.000 1.073 202 A CA -0.700 51.354 52.037 0.028 0.000 0.700 202 A CB 0.789 19.799 19.000 0.017 0.000 1.296 202 A HN 0.742 nan 8.150 nan 0.000 0.405 203 H N 0.780 119.918 119.070 0.114 0.000 2.897 203 H HA 0.297 4.856 4.556 0.005 0.000 0.347 203 H C 0.987 176.317 175.328 0.003 0.000 1.068 203 H CA 1.214 57.201 56.048 -0.101 0.000 1.426 203 H CB 0.990 30.655 29.762 -0.161 0.000 1.410 203 H HN 0.853 nan 8.280 nan 0.000 0.597 204 A N 2.447 125.278 122.820 0.018 0.000 2.332 204 A HA 0.473 4.798 4.320 0.007 0.000 0.258 204 A C 0.385 177.917 177.584 -0.086 0.000 1.087 204 A CA -0.095 51.882 52.037 -0.100 0.000 0.802 204 A CB 0.149 19.057 19.000 -0.154 0.000 1.042 204 A HN 0.843 nan 8.150 nan 0.000 0.489 205 A N 2.076 124.819 122.820 -0.129 0.000 2.511 205 A HA 0.501 4.825 4.320 0.007 0.000 0.242 205 A C -2.164 175.372 177.584 -0.080 0.000 1.069 205 A CA -0.820 51.166 52.037 -0.085 0.000 0.763 205 A CB -0.866 18.086 19.000 -0.081 0.000 1.001 205 A HN 0.626 nan 8.150 nan 0.000 0.498 206 P HA 0.286 nan 4.420 nan 0.000 0.268 206 P C -0.101 177.172 177.300 -0.046 0.000 1.205 206 P CA 0.258 63.322 63.100 -0.059 0.000 0.771 206 P CB 0.607 32.272 31.700 -0.057 0.000 0.858 207 A N 2.935 125.734 122.820 -0.036 0.000 2.462 207 A HA 0.330 4.654 4.320 0.007 0.000 0.243 207 A C 0.261 177.834 177.584 -0.019 0.000 1.076 207 A CA -0.399 51.623 52.037 -0.024 0.000 0.773 207 A CB -0.255 18.738 19.000 -0.011 0.000 1.010 207 A HN 0.486 nan 8.150 nan 0.000 0.493 208 V N 1.602 121.507 119.914 -0.015 0.000 2.389 208 V HA 0.442 4.566 4.120 0.007 0.000 0.264 208 V C -2.506 173.586 176.094 -0.003 0.000 1.049 208 V CA -1.785 60.509 62.300 -0.010 0.000 0.932 208 V CB 0.130 31.947 31.823 -0.010 0.000 1.011 208 V HN 0.688 nan 8.190 nan 0.000 0.475 209 P HA 0.440 nan 4.420 nan 0.000 0.274 209 P C 1.068 178.370 177.300 0.004 0.000 1.237 209 P CA 1.033 64.135 63.100 0.003 0.000 0.793 209 P CB 1.045 32.745 31.700 0.002 0.000 0.977 210 G N 0.941 109.746 108.800 0.008 0.000 2.155 210 G HA2 -0.274 3.690 3.960 0.007 0.000 0.257 210 G HA3 -0.274 3.690 3.960 0.007 0.000 0.257 210 G C 0.636 175.542 174.900 0.010 0.000 0.983 210 G CA 0.616 45.722 45.100 0.009 0.000 0.676 210 G HN 0.711 nan 8.290 nan 0.000 0.528 211 S N -0.581 115.125 115.700 0.010 0.000 2.602 211 S HA 0.577 5.051 4.470 0.007 0.000 0.240 211 S C 1.192 175.800 174.600 0.013 0.000 0.992 211 S CA 0.725 58.930 58.200 0.009 0.000 0.971 211 S CB 0.626 63.829 63.200 0.004 0.000 0.855 211 S HN 1.559 nan 8.310 nan 0.000 0.481 212 G N 1.397 110.209 108.800 0.019 0.000 2.432 212 G HA2 0.327 4.291 3.960 0.007 0.000 0.239 212 G HA3 0.327 4.291 3.960 0.007 0.000 0.239 212 G C 0.533 175.450 174.900 0.028 0.000 1.291 212 G CA -0.511 44.605 45.100 0.027 0.000 0.863 212 G HN 0.292 nan 8.290 nan 0.000 0.560 213 K N 1.207 121.626 120.400 0.031 0.000 2.373 213 K HA 0.066 4.390 4.320 0.007 0.000 0.200 213 K C 1.095 177.721 176.600 0.043 0.000 1.054 213 K CA -0.336 55.970 56.287 0.031 0.000 1.065 213 K CB 0.700 33.215 32.500 0.026 0.000 0.886 213 K HN 0.529 nan 8.250 nan 0.000 0.546 214 R N 3.081 123.614 120.500 0.054 0.000 2.401 214 R HA 0.105 4.449 4.340 0.007 0.000 0.299 214 R C -2.283 174.064 176.300 0.078 0.000 1.064 214 R CA -1.252 54.892 56.100 0.073 0.000 1.000 214 R CB 0.306 30.659 30.300 0.089 0.000 0.973 214 R HN -0.161 nan 8.270 nan 0.000 0.438 215 P HA 0.127 nan 4.420 nan 0.000 0.272 215 P C -2.509 174.867 177.300 0.126 0.000 1.230 215 P CA -1.126 62.034 63.100 0.099 0.000 0.788 215 P CB 0.042 31.818 31.700 0.127 0.000 0.949 216 P HA 0.010 nan 4.420 nan 0.000 0.269 216 P C -0.539 176.912 177.300 0.252 0.000 1.209 216 P CA 0.044 63.220 63.100 0.126 0.000 0.776 216 P CB 0.386 32.121 31.700 0.059 0.000 0.876 217 V N 5.318 125.357 119.914 0.208 0.000 2.521 217 V HA 0.173 4.298 4.120 0.007 0.000 0.286 217 V C 0.818 177.066 176.094 0.256 0.000 1.034 217 V CA 0.586 63.010 62.300 0.205 0.000 1.045 217 V CB -0.636 31.269 31.823 0.137 0.000 0.974 217 V HN 0.850 nan 8.190 nan 0.000 0.480 218 H N 2.710 121.824 119.070 0.074 0.000 2.918 218 H HA 0.651 5.211 4.556 0.006 0.000 0.303 218 H C 0.182 175.555 175.328 0.074 0.000 1.380 218 H CA -0.255 55.833 56.048 0.066 0.000 1.134 218 H CB 1.198 30.993 29.762 0.055 0.000 1.842 218 H HN 1.039 nan 8.280 nan 0.000 0.533 219 G N 0.332 109.171 108.800 0.065 0.000 2.552 219 G HA2 -0.234 3.730 3.960 0.007 0.000 0.265 219 G HA3 -0.234 3.730 3.960 0.007 0.000 0.265 219 G C -0.749 174.172 174.900 0.035 0.000 1.234 219 G CA 0.126 45.232 45.100 0.009 0.000 0.944 219 G HN 0.821 nan 8.290 nan 0.000 0.568 220 S N -0.801 114.915 115.700 0.027 0.000 2.508 220 S HA 0.628 5.102 4.470 0.007 0.000 0.284 220 S C 0.025 174.603 174.600 -0.036 0.000 1.192 220 S CA -0.306 57.908 58.200 0.023 0.000 1.070 220 S CB 1.765 65.002 63.200 0.062 0.000 1.004 220 S HN 1.095 nan 8.310 nan 0.000 0.493 221 V N 4.011 123.891 119.914 -0.057 0.000 2.487 221 V HA 0.426 4.550 4.120 0.007 0.000 0.298 221 V C -0.629 175.442 176.094 -0.038 0.000 1.028 221 V CA -0.819 61.478 62.300 -0.004 0.000 0.860 221 V CB 1.531 33.386 31.823 0.053 0.000 0.991 221 V HN 0.721 nan 8.190 nan 0.000 0.427 222 L N 6.943 128.170 121.223 0.006 0.000 2.264 222 L HA 0.658 5.003 4.340 0.007 0.000 0.289 222 L C -0.490 176.403 176.870 0.038 0.000 1.044 222 L CA 0.278 55.112 54.840 -0.011 0.000 0.807 222 L CB 1.377 43.431 42.059 -0.009 0.000 1.192 222 L HN 0.456 nan 8.230 nan 0.000 0.425 223 V N 4.273 124.185 119.914 -0.004 0.000 2.350 223 V HA 0.417 4.541 4.120 0.007 0.000 0.285 223 V C 0.439 176.518 176.094 -0.024 0.000 1.014 223 V CA -0.356 61.938 62.300 -0.010 0.000 0.831 223 V CB 1.258 33.041 31.823 -0.067 0.000 1.000 223 V HN 0.894 nan 8.190 nan 0.000 0.433 224 T N 1.026 115.576 114.554 -0.007 0.000 2.904 224 T HA 0.502 4.856 4.350 0.007 0.000 0.290 224 T C 1.189 175.859 174.700 -0.051 0.000 1.018 224 T CA 0.380 62.492 62.100 0.020 0.000 1.075 224 T CB 1.341 70.304 68.868 0.158 0.000 0.986 224 T HN 1.837 nan 8.240 nan 0.000 0.523 225 G N 1.125 109.904 108.800 -0.035 0.000 2.379 225 G HA2 -0.181 3.783 3.960 0.007 0.000 0.297 225 G HA3 -0.181 3.783 3.960 0.007 0.000 0.297 225 G C 0.909 175.774 174.900 -0.057 0.000 1.004 225 G CA 0.268 45.339 45.100 -0.049 0.000 0.921 225 G HN 1.467 nan 8.290 nan 0.000 0.511 226 G N -0.829 107.941 108.800 -0.049 0.000 2.744 226 G HA2 0.193 4.157 3.960 0.007 0.000 0.211 226 G HA3 0.193 4.157 3.960 0.007 0.000 0.211 226 G C 1.563 176.434 174.900 -0.050 0.000 1.143 226 G CA 1.709 46.775 45.100 -0.057 0.000 0.788 226 G HN 1.090 nan 8.290 nan 0.000 0.534 227 T N -2.624 111.906 114.554 -0.040 0.000 3.067 227 T HA 0.451 4.806 4.350 0.007 0.000 0.261 227 T C 1.095 175.771 174.700 -0.040 0.000 1.110 227 T CA 0.673 62.752 62.100 -0.034 0.000 1.113 227 T CB 0.674 69.528 68.868 -0.024 0.000 0.917 227 T HN 0.429 nan 8.240 nan 0.000 0.499 228 G N -1.176 107.593 108.800 -0.052 0.000 2.619 228 G HA2 0.548 4.512 3.960 0.007 0.000 0.305 228 G HA3 0.548 4.512 3.960 0.007 0.000 0.305 228 G C 0.233 175.081 174.900 -0.086 0.000 1.330 228 G CA -0.152 44.913 45.100 -0.060 0.000 0.789 228 G HN 0.731 nan 8.290 nan 0.000 0.487 229 G N -0.577 108.162 108.800 -0.102 0.000 2.614 229 G HA2 -0.273 3.691 3.960 0.007 0.000 0.303 229 G HA3 -0.273 3.691 3.960 0.007 0.000 0.303 229 G C 1.279 176.037 174.900 -0.237 0.000 1.270 229 G CA 0.936 45.938 45.100 -0.163 0.000 0.988 229 G HN 1.217 nan 8.290 nan 0.000 0.551 230 I N 1.738 122.080 120.570 -0.379 0.000 2.353 230 I HA 0.025 4.199 4.170 0.007 0.000 0.248 230 I C 3.072 179.080 176.117 -0.182 0.000 1.119 230 I CA 1.577 62.553 61.300 -0.540 0.000 1.417 230 I CB -0.716 36.712 38.000 -0.954 0.000 1.078 230 I HN 0.621 nan 8.210 nan 0.000 0.421 231 G N 0.779 109.528 108.800 -0.086 0.000 2.440 231 G HA2 -0.212 3.752 3.960 0.007 0.000 0.218 231 G HA3 -0.212 3.752 3.960 0.007 0.000 0.218 231 G C 1.754 176.610 174.900 -0.074 0.000 1.154 231 G CA 0.874 45.943 45.100 -0.052 0.000 0.767 231 G HN 0.489 nan 8.290 nan 0.000 0.552 232 G N 0.252 109.003 108.800 -0.081 0.000 2.422 232 G HA2 -0.158 3.806 3.960 0.007 0.000 0.218 232 G HA3 -0.158 3.806 3.960 0.007 0.000 0.218 232 G C 1.936 176.802 174.900 -0.057 0.000 1.146 232 G CA 0.745 45.805 45.100 -0.066 0.000 0.769 232 G HN 0.434 nan 8.290 nan 0.000 0.547 233 R N -0.284 120.180 120.500 -0.061 0.000 2.081 233 R HA -0.012 4.332 4.340 0.007 0.000 0.235 233 R C 2.673 178.961 176.300 -0.020 0.000 1.131 233 R CA 1.069 57.153 56.100 -0.027 0.000 0.960 233 R CB -0.574 29.720 30.300 -0.010 0.000 0.856 233 R HN 0.289 nan 8.270 nan 0.000 0.436 234 V N 1.223 121.118 119.914 -0.031 0.000 2.287 234 V HA -0.298 3.826 4.120 0.007 0.000 0.248 234 V C 2.501 178.504 176.094 -0.151 0.000 1.053 234 V CA 2.092 64.345 62.300 -0.079 0.000 1.027 234 V CB -0.788 30.984 31.823 -0.084 0.000 0.646 234 V HN 0.431 nan 8.190 nan 0.000 0.447 235 A N -0.129 122.612 122.820 -0.132 0.000 1.908 235 A HA -0.300 4.024 4.320 0.007 0.000 0.218 235 A C 2.408 179.947 177.584 -0.074 0.000 1.181 235 A CA 2.270 54.236 52.037 -0.117 0.000 0.627 235 A CB -0.638 18.312 19.000 -0.083 0.000 0.818 235 A HN 0.518 nan 8.150 nan 0.000 0.445 236 R N -0.426 120.045 120.500 -0.048 0.000 2.091 236 R HA -0.138 4.206 4.340 0.007 0.000 0.238 236 R C 2.335 178.625 176.300 -0.017 0.000 1.136 236 R CA 1.680 57.766 56.100 -0.024 0.000 0.959 236 R CB -0.233 30.059 30.300 -0.013 0.000 0.856 236 R HN 0.547 nan 8.270 nan 0.000 0.437 237 R N 0.098 120.585 120.500 -0.022 0.000 2.115 237 R HA -0.049 4.295 4.340 0.007 0.000 0.230 237 R C 2.374 178.665 176.300 -0.016 0.000 1.111 237 R CA 1.168 57.264 56.100 -0.006 0.000 0.976 237 R CB -0.252 30.054 30.300 0.010 0.000 0.870 237 R HN 0.259 nan 8.270 nan 0.000 0.445 238 L N 0.184 121.371 121.223 -0.060 0.000 2.083 238 L HA -0.150 4.194 4.340 0.007 0.000 0.209 238 L C 2.675 179.541 176.870 -0.006 0.000 1.083 238 L CA 1.220 56.030 54.840 -0.050 0.000 0.752 238 L CB -0.569 41.421 42.059 -0.115 0.000 0.899 238 L HN 0.235 nan 8.230 nan 0.000 0.433 239 A N 0.013 122.828 122.820 -0.009 0.000 1.902 239 A HA -0.231 4.093 4.320 0.007 0.000 0.217 239 A C 2.168 179.765 177.584 0.020 0.000 1.181 239 A CA 1.744 53.788 52.037 0.011 0.000 0.623 239 A CB -0.454 18.549 19.000 0.005 0.000 0.818 239 A HN 0.448 nan 8.150 nan 0.000 0.443 240 E N -0.469 119.741 120.200 0.017 0.000 2.110 240 E HA -0.220 4.134 4.350 0.007 0.000 0.193 240 E C 2.076 178.696 176.600 0.033 0.000 0.988 240 E CA 1.429 57.843 56.400 0.024 0.000 0.804 240 E CB -0.158 29.555 29.700 0.023 0.000 0.745 240 E HN 0.743 nan 8.360 nan 0.000 0.458 241 Q N -1.243 118.579 119.800 0.038 0.000 2.451 241 Q HA 0.069 4.413 4.340 0.007 0.000 0.206 241 Q C 0.997 177.035 176.000 0.065 0.000 0.947 241 Q CA 0.568 56.402 55.803 0.053 0.000 0.937 241 Q CB 0.988 29.763 28.738 0.061 0.000 1.025 241 Q HN 0.392 nan 8.270 nan 0.000 0.511 242 G N -0.273 108.564 108.800 0.062 0.000 2.425 242 G HA2 -0.124 3.840 3.960 0.007 0.000 0.177 242 G HA3 -0.124 3.840 3.960 0.007 0.000 0.177 242 G C 0.154 175.109 174.900 0.092 0.000 0.999 242 G CA -0.365 44.782 45.100 0.078 0.000 0.723 242 G HN 0.413 nan 8.290 nan 0.000 0.491 243 A N 0.576 123.442 122.820 0.076 0.000 2.561 243 A HA 0.649 4.973 4.320 0.007 0.000 0.234 243 A C 1.669 179.303 177.584 0.083 0.000 1.055 243 A CA 1.383 53.464 52.037 0.073 0.000 0.756 243 A CB 0.567 19.591 19.000 0.041 0.000 0.986 243 A HN 1.700 nan 8.150 nan 0.000 0.505 244 A N 1.221 124.103 122.820 0.102 0.000 2.030 244 A HA 0.306 4.630 4.320 0.007 0.000 0.215 244 A C 0.817 178.495 177.584 0.156 0.000 1.164 244 A CA 1.549 53.652 52.037 0.110 0.000 0.697 244 A CB -0.114 18.951 19.000 0.108 0.000 0.827 244 A HN 1.191 nan 8.150 nan 0.000 0.457 245 H N -1.322 117.759 119.070 0.019 0.000 3.083 245 H HA 0.597 5.157 4.556 0.007 0.000 0.339 245 H C -1.829 173.505 175.328 0.010 0.000 1.020 245 H CA -1.064 54.992 56.048 0.013 0.000 1.360 245 H CB 0.367 30.137 29.762 0.014 0.000 1.811 245 H HN 0.068 nan 8.280 nan 0.000 0.493 246 L N 5.454 126.651 121.223 -0.043 0.000 2.282 246 L HA 0.525 4.870 4.340 0.007 0.000 0.288 246 L C -0.484 176.217 176.870 -0.281 0.000 1.033 246 L CA -1.098 53.650 54.840 -0.155 0.000 0.807 246 L CB 1.665 43.691 42.059 -0.055 0.000 1.209 246 L HN 0.414 nan 8.230 nan 0.000 0.423 247 V N 5.560 125.290 119.914 -0.307 0.000 2.334 247 V HA 0.390 4.514 4.120 0.007 0.000 0.281 247 V C -0.043 175.989 176.094 -0.104 0.000 1.016 247 V CA -0.439 61.721 62.300 -0.233 0.000 0.832 247 V CB 1.341 33.019 31.823 -0.243 0.000 0.999 247 V HN 0.497 nan 8.190 nan 0.000 0.439 248 L N 5.299 126.485 121.223 -0.063 0.000 2.296 248 L HA 0.756 5.100 4.340 0.007 0.000 0.286 248 L C 0.390 177.247 176.870 -0.022 0.000 1.023 248 L CA -0.297 54.519 54.840 -0.041 0.000 0.812 248 L CB 1.911 43.948 42.059 -0.037 0.000 1.223 248 L HN 0.737 nan 8.230 nan 0.000 0.421 249 T N -0.451 114.094 114.554 -0.014 0.000 2.908 249 T HA 0.870 5.224 4.350 0.007 0.000 0.290 249 T C -0.238 174.464 174.700 0.003 0.000 1.034 249 T CA -0.571 61.530 62.100 0.001 0.000 1.010 249 T CB 2.169 71.045 68.868 0.015 0.000 1.068 249 T HN 0.748 nan 8.240 nan 0.000 0.481 250 S N 0.911 116.617 115.700 0.009 0.000 2.636 250 S HA 0.444 4.918 4.470 0.007 0.000 0.266 250 S C 0.652 175.263 174.600 0.017 0.000 1.147 250 S CA -1.116 57.090 58.200 0.010 0.000 0.815 250 S CB 1.566 64.764 63.200 -0.002 0.000 1.119 250 S HN 0.859 nan 8.310 nan 0.000 0.470 251 R N 0.192 120.704 120.500 0.020 0.000 2.092 251 R HA 0.116 4.460 4.340 0.007 0.000 0.231 251 R C 1.847 178.157 176.300 0.016 0.000 1.119 251 R CA 1.143 57.257 56.100 0.023 0.000 0.970 251 R CB -0.169 30.148 30.300 0.029 0.000 0.864 251 R HN 0.689 nan 8.270 nan 0.000 0.440 252 R N -0.687 119.819 120.500 0.009 0.000 2.280 252 R HA 0.115 4.460 4.340 0.007 0.000 0.195 252 R C 1.273 177.575 176.300 0.004 0.000 0.935 252 R CA 0.362 56.465 56.100 0.005 0.000 1.033 252 R CB 0.368 30.668 30.300 -0.001 0.000 0.964 252 R HN 0.388 nan 8.270 nan 0.000 0.489 253 G N 1.234 110.036 108.800 0.004 0.000 2.685 253 G HA2 -0.479 3.485 3.960 0.007 0.000 0.329 253 G HA3 -0.479 3.485 3.960 0.007 0.000 0.329 253 G C 0.978 175.879 174.900 0.000 0.000 1.271 253 G CA 0.691 45.793 45.100 0.003 0.000 1.003 253 G HN 0.403 nan 8.290 nan 0.000 0.549 254 A N -0.842 121.980 122.820 0.003 0.000 2.125 254 A HA 0.157 4.481 4.320 0.007 0.000 0.219 254 A C 1.765 179.349 177.584 -0.001 0.000 1.156 254 A CA 2.333 54.371 52.037 0.002 0.000 0.671 254 A CB -0.239 18.764 19.000 0.005 0.000 0.794 254 A HN 0.546 nan 8.150 nan 0.000 0.459 255 D N -0.123 120.276 120.400 -0.002 0.000 2.340 255 D HA 0.336 4.980 4.640 0.007 0.000 0.217 255 D C 0.734 177.029 176.300 -0.007 0.000 1.081 255 D CA 0.587 54.584 54.000 -0.004 0.000 0.842 255 D CB 0.009 40.807 40.800 -0.003 0.000 0.934 255 D HN 0.426 nan 8.370 nan 0.000 0.511 256 A N 1.775 124.590 122.820 -0.008 0.000 2.425 256 A HA 0.374 4.698 4.320 0.007 0.000 0.242 256 A C -2.229 175.345 177.584 -0.016 0.000 1.077 256 A CA -0.900 51.129 52.037 -0.013 0.000 0.781 256 A CB -0.084 18.908 19.000 -0.013 0.000 1.020 256 A HN -0.104 nan 8.150 nan 0.000 0.494 257 P HA 0.311 nan 4.420 nan 0.000 0.267 257 P C 0.918 178.204 177.300 -0.024 0.000 1.209 257 P CA 1.532 64.618 63.100 -0.023 0.000 0.763 257 P CB 0.703 32.387 31.700 -0.028 0.000 0.816 258 G N 3.135 111.923 108.800 -0.020 0.000 2.205 258 G HA2 -0.364 3.600 3.960 0.007 0.000 0.261 258 G HA3 -0.364 3.600 3.960 0.007 0.000 0.261 258 G C 1.227 176.116 174.900 -0.017 0.000 0.980 258 G CA 0.472 45.560 45.100 -0.020 0.000 0.632 258 G HN 0.647 nan 8.290 nan 0.000 0.533 259 A N 0.455 123.266 122.820 -0.016 0.000 1.917 259 A HA 0.253 4.577 4.320 0.007 0.000 0.219 259 A C 2.854 180.433 177.584 -0.009 0.000 1.182 259 A CA 3.069 55.098 52.037 -0.013 0.000 0.633 259 A CB -0.920 18.073 19.000 -0.011 0.000 0.819 259 A HN 1.853 nan 8.150 nan 0.000 0.448 260 A N -0.703 122.112 122.820 -0.007 0.000 1.930 260 A HA -0.089 4.235 4.320 0.007 0.000 0.217 260 A C 1.932 179.513 177.584 -0.005 0.000 1.175 260 A CA 1.569 53.603 52.037 -0.004 0.000 0.627 260 A CB -0.329 18.668 19.000 -0.004 0.000 0.815 260 A HN 0.480 nan 8.150 nan 0.000 0.443 261 E N 0.035 120.231 120.200 -0.007 0.000 2.072 261 E HA -0.102 4.252 4.350 0.007 0.000 0.190 261 E C 2.070 178.665 176.600 -0.007 0.000 0.982 261 E CA 0.483 56.879 56.400 -0.007 0.000 0.803 261 E CB -0.601 29.093 29.700 -0.009 0.000 0.755 261 E HN 0.596 nan 8.360 nan 0.000 0.453 262 L N 0.986 122.203 121.223 -0.010 0.000 1.990 262 L HA -0.268 4.076 4.340 0.007 0.000 0.213 262 L C 2.833 179.699 176.870 -0.006 0.000 1.072 262 L CA 1.906 56.739 54.840 -0.012 0.000 0.755 262 L CB -0.265 41.783 42.059 -0.018 0.000 0.889 262 L HN 0.113 nan 8.230 nan 0.000 0.432 263 R N -0.237 120.261 120.500 -0.003 0.000 2.091 263 R HA -0.201 4.143 4.340 0.007 0.000 0.238 263 R C 2.205 178.509 176.300 0.005 0.000 1.136 263 R CA 1.732 57.835 56.100 0.004 0.000 0.959 263 R CB -0.342 29.962 30.300 0.007 0.000 0.856 263 R HN 0.462 nan 8.270 nan 0.000 0.437 264 A N 0.774 123.596 122.820 0.003 0.000 1.858 264 A HA -0.240 4.084 4.320 0.007 0.000 0.216 264 A C 2.052 179.638 177.584 0.003 0.000 1.190 264 A CA 1.769 53.807 52.037 0.003 0.000 0.617 264 A CB -0.787 18.214 19.000 0.001 0.000 0.827 264 A HN 0.600 nan 8.150 nan 0.000 0.443 265 E N -0.358 119.842 120.200 0.001 0.000 2.065 265 E HA -0.238 4.116 4.350 0.007 0.000 0.201 265 E C 1.655 178.257 176.600 0.004 0.000 1.016 265 E CA 1.832 58.233 56.400 0.001 0.000 0.818 265 E CB -0.339 29.360 29.700 -0.002 0.000 0.749 265 E HN 0.369 nan 8.360 nan 0.000 0.453 266 L N 0.962 122.187 121.223 0.004 0.000 2.141 266 L HA -0.073 4.271 4.340 0.007 0.000 0.209 266 L C 2.186 179.065 176.870 0.016 0.000 1.094 266 L CA 1.731 56.577 54.840 0.009 0.000 0.763 266 L CB -0.786 41.278 42.059 0.009 0.000 0.908 266 L HN 0.226 nan 8.230 nan 0.000 0.437 267 E N -1.055 119.154 120.200 0.015 0.000 2.152 267 E HA -0.185 4.169 4.350 0.007 0.000 0.192 267 E C 2.077 178.686 176.600 0.014 0.000 0.983 267 E CA 0.348 56.758 56.400 0.017 0.000 0.818 267 E CB 0.015 29.724 29.700 0.015 0.000 0.758 267 E HN 0.408 nan 8.360 nan 0.000 0.467 268 Q N 0.355 120.161 119.800 0.011 0.000 2.181 268 Q HA -0.118 4.226 4.340 0.007 0.000 0.205 268 Q C 1.964 177.971 176.000 0.011 0.000 0.980 268 Q CA 1.084 56.892 55.803 0.009 0.000 0.862 268 Q CB -0.218 28.524 28.738 0.007 0.000 0.905 268 Q HN 0.349 nan 8.270 nan 0.000 0.429 269 L N -1.139 120.092 121.223 0.013 0.000 2.599 269 L HA 0.134 4.478 4.340 0.007 0.000 0.230 269 L C 0.995 177.877 176.870 0.020 0.000 1.141 269 L CA 0.470 55.320 54.840 0.016 0.000 0.877 269 L CB -0.119 41.949 42.059 0.015 0.000 1.009 269 L HN 0.377 nan 8.230 nan 0.000 0.447 270 G N -0.039 108.773 108.800 0.020 0.000 2.132 270 G HA2 -0.216 3.748 3.960 0.007 0.000 0.234 270 G HA3 -0.216 3.748 3.960 0.007 0.000 0.234 270 G C -0.009 174.908 174.900 0.029 0.000 0.989 270 G CA -0.061 45.052 45.100 0.022 0.000 0.676 270 G HN 0.089 nan 8.290 nan 0.000 0.522 271 V N 0.860 120.794 119.914 0.034 0.000 2.483 271 V HA 0.547 4.671 4.120 0.007 0.000 0.295 271 V C 1.119 177.248 176.094 0.059 0.000 1.035 271 V CA -0.987 61.344 62.300 0.051 0.000 0.896 271 V CB 1.723 33.577 31.823 0.051 0.000 0.986 271 V HN 0.471 nan 8.190 nan 0.000 0.447 272 R N 2.620 123.165 120.500 0.076 0.000 2.590 272 R HA 0.465 4.809 4.340 0.007 0.000 0.274 272 R C -1.297 175.126 176.300 0.204 0.000 1.061 272 R CA -0.077 56.070 56.100 0.078 0.000 1.081 272 R CB 0.865 31.137 30.300 -0.046 0.000 0.984 272 R HN 0.544 nan 8.270 nan 0.000 0.448 273 V N 3.333 123.342 119.914 0.159 0.000 2.588 273 V HA 0.319 4.443 4.120 0.007 0.000 0.304 273 V C -0.494 175.695 176.094 0.158 0.000 1.042 273 V CA -0.676 61.712 62.300 0.146 0.000 0.877 273 V CB 2.213 34.075 31.823 0.066 0.000 0.996 273 V HN 0.833 nan 8.190 nan 0.000 0.425 274 T N 6.067 120.715 114.554 0.158 0.000 2.812 274 T HA 0.670 5.024 4.350 0.007 0.000 0.282 274 T C -0.490 174.234 174.700 0.040 0.000 0.990 274 T CA -0.185 61.992 62.100 0.129 0.000 0.960 274 T CB 1.023 70.020 68.868 0.216 0.000 0.948 274 T HN 0.411 nan 8.240 nan 0.000 0.438 275 I N 2.813 123.402 120.570 0.033 0.000 2.389 275 I HA 0.694 4.868 4.170 0.007 0.000 0.288 275 I C -0.061 176.065 176.117 0.016 0.000 0.999 275 I CA -0.946 60.362 61.300 0.014 0.000 1.129 275 I CB 1.537 39.543 38.000 0.009 0.000 1.288 275 I HN 0.650 nan 8.210 nan 0.000 0.444 276 A N 4.151 126.978 122.820 0.011 0.000 2.386 276 A HA 0.764 5.089 4.320 0.007 0.000 0.311 276 A C 0.475 178.066 177.584 0.012 0.000 1.068 276 A CA -0.550 51.496 52.037 0.014 0.000 0.743 276 A CB 1.634 20.644 19.000 0.017 0.000 1.258 276 A HN 0.844 nan 8.150 nan 0.000 0.429 277 A N 0.787 123.615 122.820 0.013 0.000 2.247 277 A HA 0.215 4.539 4.320 0.007 0.000 0.205 277 A C 0.904 178.500 177.584 0.019 0.000 1.261 277 A CA 0.443 52.489 52.037 0.014 0.000 0.853 277 A CB -1.402 17.605 19.000 0.013 0.000 0.793 277 A HN 1.124 nan 8.150 nan 0.000 0.487 278 C N 1.164 120.476 119.300 0.021 0.000 2.648 278 C HA 0.290 4.754 4.460 0.007 0.000 0.415 278 C C 0.033 175.046 174.990 0.038 0.000 1.366 278 C CA -0.399 58.635 59.018 0.027 0.000 1.756 278 C CB -0.723 27.031 27.740 0.024 0.000 2.549 278 C HN 0.570 nan 8.230 nan 0.000 0.597 279 D N 3.585 124.013 120.400 0.046 0.000 2.349 279 D HA 0.445 5.089 4.640 0.007 0.000 0.232 279 D C 0.585 176.935 176.300 0.083 0.000 1.071 279 D CA -0.096 53.941 54.000 0.063 0.000 0.832 279 D CB 1.678 42.512 40.800 0.058 0.000 1.086 279 D HN 0.673 nan 8.370 nan 0.000 0.504 280 A N 3.501 126.382 122.820 0.102 0.000 2.119 280 A HA 0.125 4.449 4.320 0.007 0.000 0.217 280 A C 1.899 179.604 177.584 0.202 0.000 1.153 280 A CA 1.223 53.331 52.037 0.118 0.000 0.692 280 A CB -0.283 18.763 19.000 0.077 0.000 0.799 280 A HN 0.614 nan 8.150 nan 0.000 0.458 281 A N -0.427 122.489 122.820 0.160 0.000 2.168 281 A HA 0.016 4.340 4.320 0.007 0.000 0.215 281 A C 0.888 178.638 177.584 0.276 0.000 1.152 281 A CA 0.961 53.108 52.037 0.184 0.000 0.716 281 A CB -0.219 18.829 19.000 0.080 0.000 0.794 281 A HN 0.395 nan 8.150 nan 0.000 0.465 282 D N -0.367 120.133 120.400 0.168 0.000 2.428 282 D HA 0.185 4.829 4.640 0.007 0.000 0.221 282 D C 1.060 177.350 176.300 -0.017 0.000 1.123 282 D CA -0.480 53.567 54.000 0.079 0.000 0.869 282 D CB 0.510 41.339 40.800 0.047 0.000 1.032 282 D HN 0.258 nan 8.370 nan 0.000 0.506 283 R N 3.131 123.490 120.500 -0.234 0.000 2.081 283 R HA -0.144 4.200 4.340 0.007 0.000 0.235 283 R C 1.697 177.882 176.300 -0.191 0.000 1.131 283 R CA 1.369 57.187 56.100 -0.470 0.000 0.960 283 R CB 0.113 29.918 30.300 -0.825 0.000 0.856 283 R HN 0.596 nan 8.270 nan 0.000 0.436 284 E N -0.185 119.941 120.200 -0.122 0.000 2.110 284 E HA -0.195 4.159 4.350 0.007 0.000 0.193 284 E C 1.699 178.276 176.600 -0.039 0.000 0.988 284 E CA 1.239 57.599 56.400 -0.066 0.000 0.804 284 E CB -0.090 29.584 29.700 -0.044 0.000 0.745 284 E HN 0.453 nan 8.360 nan 0.000 0.458 285 A N 1.093 123.898 122.820 -0.025 0.000 1.898 285 A HA -0.133 4.191 4.320 0.007 0.000 0.216 285 A C 2.144 179.727 177.584 -0.002 0.000 1.181 285 A CA 1.196 53.230 52.037 -0.005 0.000 0.620 285 A CB -0.679 18.326 19.000 0.009 0.000 0.819 285 A HN 0.393 nan 8.150 nan 0.000 0.442 286 L N -0.033 121.188 121.223 -0.004 0.000 2.042 286 L HA -0.124 4.220 4.340 0.007 0.000 0.210 286 L C 2.621 179.490 176.870 -0.003 0.000 1.076 286 L CA 2.318 57.161 54.840 0.005 0.000 0.749 286 L CB -0.809 41.260 42.059 0.016 0.000 0.893 286 L HN 0.346 nan 8.230 nan 0.000 0.432 287 A N -0.808 121.998 122.820 -0.023 0.000 1.930 287 A HA -0.012 4.313 4.320 0.007 0.000 0.217 287 A C 2.431 180.011 177.584 -0.007 0.000 1.175 287 A CA 1.566 53.592 52.037 -0.019 0.000 0.627 287 A CB -1.033 17.945 19.000 -0.037 0.000 0.815 287 A HN 0.568 nan 8.150 nan 0.000 0.443 288 A N -0.392 122.424 122.820 -0.006 0.000 1.898 288 A HA -0.020 4.304 4.320 0.007 0.000 0.216 288 A C 2.126 179.717 177.584 0.012 0.000 1.181 288 A CA 1.623 53.661 52.037 0.002 0.000 0.620 288 A CB -0.622 18.378 19.000 0.001 0.000 0.819 288 A HN 0.649 nan 8.150 nan 0.000 0.442 289 L N -0.268 120.964 121.223 0.014 0.000 2.042 289 L HA -0.109 4.236 4.340 0.007 0.000 0.210 289 L C 2.199 179.086 176.870 0.028 0.000 1.076 289 L CA 1.695 56.549 54.840 0.023 0.000 0.749 289 L CB -0.312 41.758 42.059 0.019 0.000 0.893 289 L HN 0.398 nan 8.230 nan 0.000 0.432 290 L N -0.823 120.412 121.223 0.020 0.000 2.291 290 L HA -0.051 4.293 4.340 0.007 0.000 0.214 290 L C 2.424 179.309 176.870 0.025 0.000 1.120 290 L CA 0.725 55.579 54.840 0.023 0.000 0.799 290 L CB -0.703 41.366 42.059 0.017 0.000 0.925 290 L HN 0.347 nan 8.230 nan 0.000 0.446 291 A N 0.336 123.167 122.820 0.019 0.000 2.167 291 A HA -0.100 4.224 4.320 0.007 0.000 0.214 291 A C 1.708 179.306 177.584 0.022 0.000 1.151 291 A CA 0.856 52.903 52.037 0.017 0.000 0.735 291 A CB -0.278 18.728 19.000 0.009 0.000 0.802 291 A HN 0.600 nan 8.150 nan 0.000 0.467 292 E N -0.199 120.021 120.200 0.032 0.000 2.624 292 E HA 0.308 4.663 4.350 0.007 0.000 0.210 292 E C -0.381 176.251 176.600 0.052 0.000 0.997 292 E CA -0.520 55.901 56.400 0.035 0.000 0.999 292 E CB -0.231 29.488 29.700 0.032 0.000 1.040 292 E HN 0.452 nan 8.360 nan 0.000 0.469 293 L N 2.266 123.528 121.223 0.066 0.000 2.483 293 L HA 0.200 4.544 4.340 0.007 0.000 0.275 293 L C -1.876 175.028 176.870 0.056 0.000 1.220 293 L CA -1.681 53.219 54.840 0.100 0.000 0.833 293 L CB -0.247 41.875 42.059 0.104 0.000 1.102 293 L HN -0.022 nan 8.230 nan 0.000 0.490 294 P HA 0.011 nan 4.420 nan 0.000 0.271 294 P C 0.346 177.657 177.300 0.018 0.000 1.218 294 P CA -0.260 62.837 63.100 -0.004 0.000 0.780 294 P CB 0.590 32.260 31.700 -0.051 0.000 0.901 295 E N 1.502 121.709 120.200 0.011 0.000 2.204 295 E HA -0.206 4.148 4.350 0.007 0.000 0.195 295 E C 0.630 177.245 176.600 0.026 0.000 0.990 295 E CA 1.222 57.633 56.400 0.019 0.000 0.821 295 E CB 0.048 29.756 29.700 0.014 0.000 0.750 295 E HN 0.528 nan 8.360 nan 0.000 0.477 296 D N -0.925 119.489 120.400 0.022 0.000 2.340 296 D HA 0.033 4.677 4.640 0.007 0.000 0.220 296 D C 0.012 176.343 176.300 0.052 0.000 1.039 296 D CA 0.132 54.151 54.000 0.033 0.000 0.866 296 D CB 0.518 41.332 40.800 0.023 0.000 0.913 296 D HN 0.047 nan 8.370 nan 0.000 0.523 297 A N 1.194 124.047 122.820 0.055 0.000 3.453 297 A HA 0.395 4.719 4.320 0.007 0.000 0.262 297 A C -2.758 174.876 177.584 0.083 0.000 1.026 297 A CA -1.037 51.049 52.037 0.082 0.000 0.938 297 A CB 0.597 19.657 19.000 0.099 0.000 1.246 297 A HN 0.008 nan 8.150 nan 0.000 0.546 298 P HA 0.066 nan 4.420 nan 0.000 0.270 298 P C 0.282 177.596 177.300 0.023 0.000 1.223 298 P CA -0.064 63.064 63.100 0.047 0.000 0.785 298 P CB 0.905 32.631 31.700 0.044 0.000 0.923 299 L N 2.576 123.812 121.223 0.022 0.000 2.559 299 L HA -0.018 4.326 4.340 0.007 0.000 0.274 299 L C 1.343 178.200 176.870 -0.022 0.000 1.205 299 L CA 0.703 55.545 54.840 0.004 0.000 0.907 299 L CB 0.326 42.396 42.059 0.018 0.000 1.153 299 L HN 0.605 nan 8.230 nan 0.000 0.490 300 T N 0.599 115.116 114.554 -0.061 0.000 2.959 300 T HA 0.495 4.849 4.350 0.007 0.000 0.254 300 T C 0.223 174.911 174.700 -0.020 0.000 1.003 300 T CA 0.306 62.348 62.100 -0.096 0.000 0.950 300 T CB 0.547 69.220 68.868 -0.326 0.000 1.090 300 T HN 0.663 nan 8.240 nan 0.000 0.503 301 A N 0.367 123.197 122.820 0.017 0.000 2.604 301 A HA 0.700 5.024 4.320 0.007 0.000 0.295 301 A C -1.649 175.961 177.584 0.043 0.000 1.067 301 A CA -0.696 51.365 52.037 0.039 0.000 0.683 301 A CB 1.676 20.741 19.000 0.107 0.000 1.281 301 A HN 0.270 nan 8.150 nan 0.000 0.407 302 V N 1.018 120.891 119.914 -0.068 0.000 2.540 302 V HA 0.651 4.775 4.120 0.007 0.000 0.302 302 V C -1.402 174.473 176.094 -0.365 0.000 1.035 302 V CA -0.292 61.929 62.300 -0.133 0.000 0.873 302 V CB 1.399 33.088 31.823 -0.224 0.000 0.992 302 V HN 0.690 nan 8.190 nan 0.000 0.428 303 F N 2.874 122.695 119.950 -0.215 0.000 2.460 303 F HA 0.443 4.974 4.527 0.007 0.000 0.341 303 F C 0.020 175.597 175.800 -0.371 0.000 1.130 303 F CA -0.606 57.199 58.000 -0.326 0.000 0.962 303 F CB 1.233 40.061 39.000 -0.287 0.000 1.171 303 F HN 0.563 nan 8.300 nan 0.000 0.436 304 H N 1.593 120.394 119.070 -0.448 0.000 2.724 304 H HA 0.299 4.859 4.556 0.006 0.000 0.278 304 H C 0.382 175.467 175.328 -0.404 0.000 1.159 304 H CA -0.240 55.598 56.048 -0.350 0.000 1.254 304 H CB 1.222 30.807 29.762 -0.295 0.000 1.412 304 H HN 0.514 nan 8.280 nan 0.000 0.488 305 S N 2.929 118.308 115.700 -0.534 0.000 2.540 305 S HA 0.405 4.879 4.470 0.007 0.000 0.218 305 S C 0.652 175.095 174.600 -0.262 0.000 0.977 305 S CA 0.082 58.069 58.200 -0.355 0.000 0.918 305 S CB -0.203 62.857 63.200 -0.234 0.000 0.806 305 S HN 0.782 nan 8.310 nan 0.000 0.496 306 A N 0.784 123.339 122.820 -0.440 0.000 2.425 306 A HA 0.622 4.946 4.320 0.007 0.000 0.242 306 A C 0.787 178.272 177.584 -0.165 0.000 1.077 306 A CA 0.469 52.378 52.037 -0.214 0.000 0.781 306 A CB -0.445 18.517 19.000 -0.064 0.000 1.020 306 A HN 1.152 nan 8.150 nan 0.000 0.494 307 G N -0.837 107.955 108.800 -0.014 0.000 2.653 307 G HA2 0.498 4.462 3.960 0.007 0.000 0.656 307 G HA3 0.498 4.462 3.960 0.007 0.000 0.656 307 G C -0.728 174.244 174.900 0.119 0.000 1.419 307 G CA -0.273 44.864 45.100 0.061 0.000 0.862 307 G HN 2.135 nan 8.290 nan 0.000 0.639 308 V N -0.369 119.604 119.914 0.097 0.000 2.994 308 V HA 0.963 5.087 4.120 0.007 0.000 0.318 308 V C 1.070 177.126 176.094 -0.062 0.000 1.085 308 V CA 0.158 62.489 62.300 0.051 0.000 0.998 308 V CB 1.634 33.498 31.823 0.069 0.000 1.063 308 V HN 2.346 nan 8.190 nan 0.000 0.447 309 A N 0.136 122.784 122.820 -0.286 0.000 2.343 309 A HA 0.259 4.583 4.320 0.007 0.000 0.223 309 A C 0.922 178.304 177.584 -0.337 0.000 1.214 309 A CA 0.132 51.747 52.037 -0.703 0.000 0.900 309 A CB -0.631 17.699 19.000 -1.117 0.000 0.942 309 A HN 1.131 nan 8.150 nan 0.000 0.507 310 H N -1.236 117.732 119.070 -0.170 0.000 2.607 310 H HA 0.292 4.852 4.556 0.007 0.000 0.367 310 H C -0.518 174.771 175.328 -0.064 0.000 1.181 310 H CA 0.734 56.721 56.048 -0.103 0.000 1.402 310 H CB 0.501 30.221 29.762 -0.070 0.000 1.474 310 H HN 0.090 nan 8.280 nan 0.000 0.596 311 D N 0.269 120.696 120.400 0.045 0.000 2.746 311 D HA -0.164 4.480 4.640 0.007 0.000 0.236 311 D C -0.585 175.683 176.300 -0.054 0.000 1.129 311 D CA 0.962 54.962 54.000 -0.000 0.000 0.691 311 D CB -0.868 39.943 40.800 0.019 0.000 1.077 311 D HN 0.687 nan 8.370 nan 0.000 0.432 312 D N -0.766 119.607 120.400 -0.044 0.000 2.549 312 D HA 0.871 5.516 4.640 0.007 0.000 0.270 312 D C -0.169 176.120 176.300 -0.018 0.000 1.181 312 D CA 0.276 54.258 54.000 -0.030 0.000 1.070 312 D CB 1.414 42.199 40.800 -0.024 0.000 1.154 312 D HN 0.259 nan 8.370 nan 0.000 0.602 313 A N 0.208 123.019 122.820 -0.014 0.000 2.601 313 A HA 0.587 4.911 4.320 0.007 0.000 0.291 313 A C -2.827 174.750 177.584 -0.012 0.000 1.075 313 A CA -1.066 50.963 52.037 -0.013 0.000 0.671 313 A CB 1.080 20.071 19.000 -0.015 0.000 1.277 313 A HN 0.332 nan 8.150 nan 0.000 0.417 314 P HA 0.213 nan 4.420 nan 0.000 0.269 314 P C 1.203 178.507 177.300 0.007 0.000 1.217 314 P CA -0.157 62.935 63.100 -0.014 0.000 0.783 314 P CB 0.531 32.222 31.700 -0.014 0.000 0.898 315 V N 2.063 121.991 119.914 0.022 0.000 2.317 315 V HA -0.331 3.793 4.120 0.007 0.000 0.251 315 V C 2.238 178.369 176.094 0.063 0.000 1.065 315 V CA 2.802 65.131 62.300 0.048 0.000 1.049 315 V CB -1.632 30.249 31.823 0.097 0.000 0.651 315 V HN 0.703 nan 8.190 nan 0.000 0.450 316 A N -0.963 121.930 122.820 0.121 0.000 2.168 316 A HA -0.147 4.178 4.320 0.007 0.000 0.215 316 A C 1.737 179.336 177.584 0.025 0.000 1.152 316 A CA 1.722 53.805 52.037 0.077 0.000 0.716 316 A CB -0.263 18.816 19.000 0.131 0.000 0.794 316 A HN 0.619 nan 8.150 nan 0.000 0.465 317 D N -1.722 118.686 120.400 0.014 0.000 2.479 317 D HA 0.144 4.788 4.640 0.007 0.000 0.221 317 D C 0.279 176.566 176.300 -0.020 0.000 1.104 317 D CA -0.324 53.673 54.000 -0.005 0.000 0.849 317 D CB -0.075 40.723 40.800 -0.003 0.000 1.072 317 D HN 0.328 nan 8.370 nan 0.000 0.502 318 L N 2.626 123.836 121.223 -0.022 0.000 2.525 318 L HA 0.118 4.462 4.340 0.007 0.000 0.278 318 L C 0.587 177.420 176.870 -0.061 0.000 1.218 318 L CA 0.459 55.276 54.840 -0.038 0.000 0.878 318 L CB 0.466 42.505 42.059 -0.033 0.000 1.127 318 L HN 0.004 nan 8.230 nan 0.000 0.492 319 T N 2.150 116.658 114.554 -0.076 0.000 2.934 319 T HA 0.344 4.699 4.350 0.007 0.000 0.283 319 T C 1.420 176.009 174.700 -0.184 0.000 1.005 319 T CA -0.816 61.217 62.100 -0.112 0.000 1.041 319 T CB 0.765 69.579 68.868 -0.091 0.000 1.042 319 T HN 0.585 nan 8.240 nan 0.000 0.505 320 L N 1.182 122.230 121.223 -0.292 0.000 2.191 320 L HA 0.068 4.412 4.340 0.007 0.000 0.212 320 L C 2.863 179.360 176.870 -0.622 0.000 1.103 320 L CA 1.480 55.992 54.840 -0.547 0.000 0.769 320 L CB -0.994 40.517 42.059 -0.914 0.000 0.908 320 L HN 1.009 nan 8.230 nan 0.000 0.438 321 G N -0.798 107.782 108.800 -0.366 0.000 2.403 321 G HA2 -0.209 3.755 3.960 0.007 0.000 0.216 321 G HA3 -0.209 3.755 3.960 0.007 0.000 0.216 321 G C 1.498 176.342 174.900 -0.093 0.000 1.154 321 G CA 0.155 45.175 45.100 -0.132 0.000 0.784 321 G HN 0.359 nan 8.290 nan 0.000 0.538 322 Q N -0.633 119.108 119.800 -0.098 0.000 2.050 322 Q HA -0.072 4.272 4.340 0.007 0.000 0.202 322 Q C 2.474 178.425 176.000 -0.081 0.000 0.980 322 Q CA 1.167 56.925 55.803 -0.074 0.000 0.840 322 Q CB -0.303 28.398 28.738 -0.062 0.000 0.898 322 Q HN 0.397 nan 8.270 nan 0.000 0.424 323 L N 1.268 122.425 121.223 -0.109 0.000 2.042 323 L HA -0.211 4.133 4.340 0.007 0.000 0.210 323 L C 1.678 178.503 176.870 -0.075 0.000 1.076 323 L CA 2.155 56.943 54.840 -0.087 0.000 0.749 323 L CB -0.611 41.380 42.059 -0.114 0.000 0.893 323 L HN 0.169 nan 8.230 nan 0.000 0.432 324 D N -0.886 119.457 120.400 -0.096 0.000 2.123 324 D HA -0.191 4.453 4.640 0.007 0.000 0.196 324 D C 2.135 178.424 176.300 -0.018 0.000 0.992 324 D CA 1.411 55.390 54.000 -0.035 0.000 0.833 324 D CB -0.007 40.813 40.800 0.034 0.000 0.954 324 D HN 0.461 nan 8.370 nan 0.000 0.455 325 A N -0.241 122.564 122.820 -0.026 0.000 1.930 325 A HA -0.068 4.256 4.320 0.007 0.000 0.217 325 A C 2.275 179.838 177.584 -0.035 0.000 1.175 325 A CA 0.859 52.880 52.037 -0.027 0.000 0.627 325 A CB -0.682 18.292 19.000 -0.044 0.000 0.815 325 A HN 0.350 nan 8.150 nan 0.000 0.443 326 L N -1.025 120.178 121.223 -0.033 0.000 2.156 326 L HA -0.130 4.215 4.340 0.007 0.000 0.208 326 L C 2.596 179.482 176.870 0.026 0.000 1.095 326 L CA 0.679 55.524 54.840 0.009 0.000 0.770 326 L CB -0.320 41.760 42.059 0.035 0.000 0.914 326 L HN 0.314 nan 8.230 nan 0.000 0.439 327 M N -0.847 118.750 119.600 -0.004 0.000 2.254 327 M HA -0.133 4.351 4.480 0.007 0.000 0.265 327 M C 2.296 178.577 176.300 -0.031 0.000 1.066 327 M CA 1.329 56.613 55.300 -0.027 0.000 1.123 327 M CB -1.088 31.481 32.600 -0.052 0.000 1.388 327 M HN 0.205 nan 8.290 nan 0.000 0.425 328 R N 0.562 121.053 120.500 -0.015 0.000 2.091 328 R HA -0.094 4.250 4.340 0.007 0.000 0.238 328 R C 1.874 178.181 176.300 0.013 0.000 1.136 328 R CA 1.780 57.873 56.100 -0.012 0.000 0.959 328 R CB -0.113 30.190 30.300 0.006 0.000 0.856 328 R HN 0.300 nan 8.270 nan 0.000 0.437 329 A N 0.093 122.942 122.820 0.048 0.000 2.208 329 A HA 0.034 4.359 4.320 0.007 0.000 0.209 329 A C 1.414 179.114 177.584 0.192 0.000 1.161 329 A CA 0.525 52.626 52.037 0.108 0.000 0.782 329 A CB 0.068 19.123 19.000 0.092 0.000 0.816 329 A HN 0.173 nan 8.150 nan 0.000 0.477 330 K N -0.756 119.718 120.400 0.122 0.000 2.230 330 K HA 0.220 4.544 4.320 0.007 0.000 0.219 330 K C 1.893 178.552 176.600 0.098 0.000 1.033 330 K CA 0.535 56.927 56.287 0.175 0.000 0.937 330 K CB -1.113 31.447 32.500 0.100 0.000 1.018 330 K HN 0.378 nan 8.250 nan 0.000 0.463 331 L N 1.834 122.996 121.223 -0.102 0.000 1.970 331 L HA -0.201 4.144 4.340 0.007 0.000 0.212 331 L C 2.253 178.931 176.870 -0.320 0.000 1.071 331 L CA 1.918 56.476 54.840 -0.470 0.000 0.751 331 L CB -0.621 41.032 42.059 -0.676 0.000 0.889 331 L HN 0.207 nan 8.230 nan 0.000 0.432 332 T N 0.012 114.416 114.554 -0.249 0.000 2.708 332 T HA -0.148 4.206 4.350 0.007 0.000 0.266 332 T C 1.876 176.322 174.700 -0.422 0.000 1.037 332 T CA 1.327 63.226 62.100 -0.335 0.000 1.146 332 T CB -0.501 68.231 68.868 -0.225 0.000 0.865 332 T HN 0.562 nan 8.240 nan 0.000 0.435 333 A N 1.390 124.100 122.820 -0.184 0.000 1.902 333 A HA 0.184 4.508 4.320 0.007 0.000 0.217 333 A C 2.594 180.057 177.584 -0.201 0.000 1.181 333 A CA 1.817 53.779 52.037 -0.124 0.000 0.623 333 A CB -1.021 17.987 19.000 0.013 0.000 0.818 333 A HN 0.512 nan 8.150 nan 0.000 0.443 334 A N -0.975 121.743 122.820 -0.170 0.000 1.970 334 A HA -0.021 4.303 4.320 0.007 0.000 0.216 334 A C 2.211 179.887 177.584 0.153 0.000 1.170 334 A CA 1.242 53.227 52.037 -0.087 0.000 0.645 334 A CB -0.409 18.659 19.000 0.112 0.000 0.816 334 A HN 0.499 nan 8.150 nan 0.000 0.447 335 R N -0.845 119.714 120.500 0.098 0.000 2.073 335 R HA -0.161 4.183 4.340 0.007 0.000 0.234 335 R C 1.985 178.400 176.300 0.191 0.000 1.134 335 R CA 1.883 58.078 56.100 0.158 0.000 0.952 335 R CB -0.427 29.889 30.300 0.026 0.000 0.850 335 R HN 0.804 nan 8.270 nan 0.000 0.433 336 H N -0.097 119.028 119.070 0.090 0.000 2.352 336 H HA -0.146 4.414 4.556 0.007 0.000 0.299 336 H C 2.241 177.614 175.328 0.076 0.000 1.097 336 H CA 1.455 57.540 56.048 0.061 0.000 1.311 336 H CB -0.059 29.719 29.762 0.027 0.000 1.377 336 H HN 0.154 nan 8.280 nan 0.000 0.504 337 L N -0.174 121.177 121.223 0.214 0.000 2.042 337 L HA -0.247 4.097 4.340 0.007 0.000 0.210 337 L C 2.665 179.742 176.870 0.345 0.000 1.076 337 L CA 1.632 56.612 54.840 0.234 0.000 0.749 337 L CB -0.438 41.692 42.059 0.119 0.000 0.893 337 L HN 0.398 nan 8.230 nan 0.000 0.432 338 H N 0.271 119.506 119.070 0.274 0.000 2.321 338 H HA -0.183 4.377 4.556 0.007 0.000 0.300 338 H C 2.117 177.433 175.328 -0.020 0.000 1.087 338 H CA 2.078 58.123 56.048 -0.005 0.000 1.319 338 H CB 0.043 29.802 29.762 -0.004 0.000 1.379 338 H HN 0.304 nan 8.280 nan 0.000 0.501 339 E N -0.052 120.042 120.200 -0.176 0.000 2.077 339 E HA -0.109 4.245 4.350 0.007 0.000 0.193 339 E C 2.121 178.634 176.600 -0.144 0.000 0.989 339 E CA 1.225 57.501 56.400 -0.207 0.000 0.800 339 E CB 0.003 29.712 29.700 0.015 0.000 0.746 339 E HN 0.487 nan 8.360 nan 0.000 0.452 340 L N 0.330 121.526 121.223 -0.045 0.000 2.554 340 L HA -0.004 4.340 4.340 0.007 0.000 0.226 340 L C 2.022 178.874 176.870 -0.031 0.000 1.137 340 L CA 1.016 55.841 54.840 -0.025 0.000 0.863 340 L CB -0.008 42.057 42.059 0.011 0.000 0.985 340 L HN 0.251 nan 8.230 nan 0.000 0.451 341 T N -5.760 108.762 114.554 -0.055 0.000 3.043 341 T HA 0.255 4.609 4.350 0.007 0.000 0.272 341 T C 1.660 176.281 174.700 -0.131 0.000 0.990 341 T CA 0.401 62.474 62.100 -0.045 0.000 0.897 341 T CB 0.496 69.400 68.868 0.061 0.000 1.111 341 T HN 0.092 nan 8.240 nan 0.000 0.529 342 A N 1.791 124.464 122.820 -0.245 0.000 2.084 342 A HA -0.100 4.224 4.320 0.007 0.000 0.221 342 A C 1.959 179.459 177.584 -0.140 0.000 1.161 342 A CA 1.824 53.701 52.037 -0.267 0.000 0.653 342 A CB -0.698 18.062 19.000 -0.400 0.000 0.802 342 A HN 0.485 nan 8.150 nan 0.000 0.457 343 D N -1.360 118.978 120.400 -0.102 0.000 2.349 343 D HA 0.259 4.903 4.640 0.007 0.000 0.214 343 D C 0.477 176.753 176.300 -0.039 0.000 1.063 343 D CA 0.026 53.989 54.000 -0.061 0.000 0.847 343 D CB 0.062 40.832 40.800 -0.051 0.000 0.933 343 D HN 0.400 nan 8.370 nan 0.000 0.513 344 L N -0.324 120.877 121.223 -0.037 0.000 2.440 344 L HA 0.401 4.745 4.340 0.007 0.000 0.262 344 L C -0.025 176.839 176.870 -0.010 0.000 1.072 344 L CA -0.823 54.009 54.840 -0.014 0.000 0.798 344 L CB 1.000 43.058 42.059 -0.002 0.000 1.307 344 L HN -0.202 nan 8.230 nan 0.000 0.475 345 D N 0.879 121.283 120.400 0.007 0.000 2.456 345 D HA 0.370 5.014 4.640 0.007 0.000 0.287 345 D C -0.766 175.545 176.300 0.018 0.000 1.186 345 D CA -0.459 53.544 54.000 0.005 0.000 0.916 345 D CB 0.293 41.099 40.800 0.010 0.000 1.029 345 D HN 0.057 nan 8.370 nan 0.000 0.498 346 L N 1.880 123.113 121.223 0.015 0.000 2.483 346 L HA 0.172 4.516 4.340 0.007 0.000 0.275 346 L C 1.501 178.396 176.870 0.041 0.000 1.220 346 L CA 0.416 55.276 54.840 0.035 0.000 0.833 346 L CB 0.576 42.675 42.059 0.067 0.000 1.102 346 L HN 0.284 nan 8.230 nan 0.000 0.490 347 D N 0.684 121.113 120.400 0.048 0.000 2.213 347 D HA 0.207 4.851 4.640 0.007 0.000 0.205 347 D C 0.247 176.576 176.300 0.049 0.000 0.961 347 D CA 0.970 55.007 54.000 0.063 0.000 0.853 347 D CB 0.373 41.228 40.800 0.091 0.000 0.967 347 D HN 0.569 nan 8.370 nan 0.000 0.496 348 A N -0.272 122.566 122.820 0.030 0.000 2.549 348 A HA 0.592 4.916 4.320 0.007 0.000 0.297 348 A C -1.865 175.711 177.584 -0.013 0.000 1.061 348 A CA -0.637 51.385 52.037 -0.026 0.000 0.690 348 A CB 1.304 20.231 19.000 -0.120 0.000 1.287 348 A HN 0.017 nan 8.150 nan 0.000 0.402 349 F N 2.530 122.357 119.950 -0.205 0.000 2.902 349 F HA 0.546 5.077 4.527 0.006 0.000 0.368 349 F C -1.410 174.260 175.800 -0.216 0.000 1.202 349 F CA -0.368 57.517 58.000 -0.191 0.000 1.109 349 F CB 1.468 40.417 39.000 -0.084 0.000 1.418 349 F HN 0.388 nan 8.300 nan 0.000 0.527 350 V N 6.793 126.379 119.914 -0.547 0.000 2.384 350 V HA 0.464 4.588 4.120 0.007 0.000 0.287 350 V C -0.239 175.678 176.094 -0.295 0.000 1.020 350 V CA -0.668 61.404 62.300 -0.379 0.000 0.850 350 V CB 1.641 33.120 31.823 -0.573 0.000 0.987 350 V HN 0.567 nan 8.190 nan 0.000 0.436 351 L N 4.925 126.107 121.223 -0.067 0.000 2.313 351 L HA 0.582 4.926 4.340 0.007 0.000 0.283 351 L C -0.944 176.078 176.870 0.253 0.000 1.013 351 L CA -0.435 54.423 54.840 0.029 0.000 0.816 351 L CB 1.566 43.648 42.059 0.038 0.000 1.236 351 L HN 0.404 nan 8.230 nan 0.000 0.419 352 F N 1.742 121.691 119.950 -0.002 0.000 2.404 352 F HA 0.373 4.904 4.527 0.006 0.000 0.358 352 F C 0.786 176.568 175.800 -0.031 0.000 1.120 352 F CA -0.374 57.630 58.000 0.006 0.000 1.144 352 F CB 1.406 40.543 39.000 0.228 0.000 1.133 352 F HN 0.458 nan 8.300 nan 0.000 0.495 353 S N 2.326 118.041 115.700 0.026 0.000 2.561 353 S HA 0.778 5.252 4.470 0.007 0.000 0.282 353 S C -0.429 174.134 174.600 -0.063 0.000 1.123 353 S CA -0.273 57.886 58.200 -0.068 0.000 1.011 353 S CB 1.455 64.590 63.200 -0.109 0.000 1.244 353 S HN 0.584 nan 8.310 nan 0.000 0.503 354 S N -1.874 113.738 115.700 -0.146 0.000 2.537 354 S HA 0.513 4.987 4.470 0.007 0.000 0.271 354 S C 0.746 175.151 174.600 -0.326 0.000 1.148 354 S CA 0.015 58.158 58.200 -0.095 0.000 0.868 354 S CB 0.762 63.910 63.200 -0.087 0.000 1.115 354 S HN 1.013 nan 8.310 nan 0.000 0.461 355 G N 2.068 110.573 108.800 -0.493 0.000 2.485 355 G HA2 -0.096 3.868 3.960 0.007 0.000 0.221 355 G HA3 -0.096 3.868 3.960 0.007 0.000 0.221 355 G C 1.534 175.699 174.900 -1.224 0.000 1.115 355 G CA 1.170 45.380 45.100 -1.483 0.000 0.751 355 G HN 1.172 nan 8.290 nan 0.000 0.567 356 A N 0.854 123.390 122.820 -0.473 0.000 1.978 356 A HA 0.206 4.530 4.320 0.007 0.000 0.220 356 A C 2.707 180.152 177.584 -0.232 0.000 1.170 356 A CA 2.294 54.191 52.037 -0.232 0.000 0.636 356 A CB -0.489 18.547 19.000 0.060 0.000 0.810 356 A HN 0.794 nan 8.150 nan 0.000 0.448 357 A N -1.256 121.401 122.820 -0.271 0.000 2.030 357 A HA 0.273 4.597 4.320 0.007 0.000 0.215 357 A C 2.095 179.588 177.584 -0.153 0.000 1.164 357 A CA 1.223 53.160 52.037 -0.166 0.000 0.697 357 A CB -0.324 18.581 19.000 -0.158 0.000 0.827 357 A HN 0.304 nan 8.150 nan 0.000 0.457 358 V N -1.586 118.138 119.914 -0.317 0.000 2.379 358 V HA -0.152 3.972 4.120 0.007 0.000 0.243 358 V C 2.164 178.260 176.094 0.003 0.000 1.035 358 V CA 1.856 64.052 62.300 -0.173 0.000 1.035 358 V CB -0.727 30.977 31.823 -0.199 0.000 0.673 358 V HN 0.993 nan 8.190 nan 0.000 0.457 359 W N -0.076 121.271 121.300 0.079 0.000 2.871 359 W HA 0.666 5.329 4.660 0.005 0.000 0.267 359 W C 0.685 177.398 176.519 0.323 0.000 1.180 359 W CA 0.171 57.605 57.345 0.148 0.000 1.463 359 W CB -0.139 29.312 29.460 -0.014 0.000 0.966 359 W HN 0.284 nan 8.180 nan 0.000 0.605 360 G N 1.003 109.909 108.800 0.178 0.000 2.770 360 G HA2 0.258 4.222 3.960 0.007 0.000 0.686 360 G HA3 0.258 4.222 3.960 0.007 0.000 0.686 360 G C -1.137 173.973 174.900 0.349 0.000 1.180 360 G CA -0.425 44.825 45.100 0.250 0.000 0.767 360 G HN 0.528 nan 8.290 nan 0.000 0.646 361 S N 0.430 116.241 115.700 0.184 0.000 2.677 361 S HA 0.752 5.227 4.470 0.007 0.000 0.283 361 S C 0.708 175.356 174.600 0.081 0.000 1.159 361 S CA 0.595 58.914 58.200 0.198 0.000 1.001 361 S CB 1.040 64.348 63.200 0.181 0.000 1.032 361 S HN 2.180 nan 8.310 nan 0.000 0.487 362 G N 1.887 110.711 108.800 0.040 0.000 2.353 362 G HA2 0.425 4.389 3.960 0.007 0.000 0.239 362 G HA3 0.425 4.389 3.960 0.007 0.000 0.239 362 G C 1.227 176.121 174.900 -0.010 0.000 1.295 362 G CA 0.410 45.492 45.100 -0.031 0.000 0.884 362 G HN 1.939 nan 8.290 nan 0.000 0.537 363 G N 0.954 109.736 108.800 -0.029 0.000 2.199 363 G HA2 -0.253 3.711 3.960 0.007 0.000 0.254 363 G HA3 -0.253 3.711 3.960 0.007 0.000 0.254 363 G C 0.616 175.519 174.900 0.004 0.000 0.982 363 G CA 0.591 45.683 45.100 -0.015 0.000 0.632 363 G HN 0.829 nan 8.290 nan 0.000 0.529 364 Q N -0.002 119.812 119.800 0.024 0.000 2.318 364 Q HA 0.183 4.527 4.340 0.007 0.000 0.371 364 Q C -1.577 174.463 176.000 0.068 0.000 0.896 364 Q CA -1.061 54.781 55.803 0.065 0.000 1.134 364 Q CB 1.685 30.496 28.738 0.121 0.000 1.329 364 Q HN 0.441 nan 8.270 nan 0.000 0.413 365 P HA -0.167 nan 4.420 nan 0.000 0.216 365 P C 1.312 178.631 177.300 0.033 0.000 1.153 365 P CA 1.463 64.567 63.100 0.007 0.000 0.848 365 P CB 0.216 31.904 31.700 -0.021 0.000 0.787 366 G N -0.996 107.831 108.800 0.045 0.000 2.402 366 G HA2 -0.289 3.675 3.960 0.007 0.000 0.216 366 G HA3 -0.289 3.675 3.960 0.007 0.000 0.216 366 G C 1.621 176.585 174.900 0.108 0.000 1.162 366 G CA 0.418 45.549 45.100 0.052 0.000 0.777 366 G HN 0.185 nan 8.290 nan 0.000 0.539 367 Y N 1.922 122.210 120.300 -0.019 0.000 2.314 367 Y HA 0.183 4.737 4.550 0.008 0.000 0.293 367 Y C 2.854 178.754 175.900 0.000 0.000 1.129 367 Y CA 0.681 58.776 58.100 -0.008 0.000 1.201 367 Y CB -0.259 38.197 38.460 -0.007 0.000 0.999 367 Y HN 0.245 nan 8.280 nan 0.000 0.541 368 A N 0.100 122.957 122.820 0.063 0.000 1.898 368 A HA -0.074 4.250 4.320 0.007 0.000 0.216 368 A C 2.439 180.007 177.584 -0.028 0.000 1.181 368 A CA 1.752 53.770 52.037 -0.032 0.000 0.620 368 A CB -1.380 17.623 19.000 0.006 0.000 0.819 368 A HN 0.498 nan 8.150 nan 0.000 0.442 369 A N -0.038 122.791 122.820 0.014 0.000 1.877 369 A HA 0.148 4.472 4.320 0.007 0.000 0.216 369 A C 2.529 180.137 177.584 0.041 0.000 1.186 369 A CA 2.193 54.257 52.037 0.044 0.000 0.620 369 A CB -1.100 17.928 19.000 0.047 0.000 0.822 369 A HN 1.060 nan 8.150 nan 0.000 0.443 370 A N 0.195 123.016 122.820 0.001 0.000 1.883 370 A HA -0.215 4.109 4.320 0.007 0.000 0.217 370 A C 1.986 179.567 177.584 -0.005 0.000 1.186 370 A CA 1.757 53.795 52.037 0.002 0.000 0.624 370 A CB -0.663 18.326 19.000 -0.018 0.000 0.822 370 A HN 0.587 nan 8.150 nan 0.000 0.444 371 N N 0.117 118.729 118.700 -0.148 0.000 2.244 371 N HA -0.068 4.676 4.740 0.007 0.000 0.183 371 N C 1.878 177.355 175.510 -0.056 0.000 1.016 371 N CA 1.272 54.226 53.050 -0.161 0.000 0.866 371 N CB -0.358 37.912 38.487 -0.360 0.000 0.980 371 N HN 0.478 nan 8.380 nan 0.000 0.430 372 A N 0.345 123.155 122.820 -0.016 0.000 2.015 372 A HA -0.170 4.154 4.320 0.007 0.000 0.219 372 A C 2.025 179.636 177.584 0.045 0.000 1.163 372 A CA 0.786 52.837 52.037 0.024 0.000 0.646 372 A CB -0.762 18.289 19.000 0.085 0.000 0.806 372 A HN 0.420 nan 8.150 nan 0.000 0.448 373 Y N 0.610 120.904 120.300 -0.009 0.000 2.224 373 Y HA -0.150 4.405 4.550 0.008 0.000 0.289 373 Y C 1.863 177.758 175.900 -0.008 0.000 1.146 373 Y CA 1.654 59.750 58.100 -0.007 0.000 1.182 373 Y CB -0.269 38.188 38.460 -0.006 0.000 0.983 373 Y HN 0.226 nan 8.280 nan 0.000 0.524 374 L N -0.080 121.152 121.223 0.015 0.000 2.012 374 L HA -0.276 4.069 4.340 0.007 0.000 0.210 374 L C 2.187 178.987 176.870 -0.117 0.000 1.073 374 L CA 1.748 56.562 54.840 -0.042 0.000 0.748 374 L CB -0.693 41.401 42.059 0.058 0.000 0.891 374 L HN 0.242 nan 8.230 nan 0.000 0.431 375 D N 0.161 120.507 120.400 -0.091 0.000 2.117 375 D HA -0.165 4.479 4.640 0.007 0.000 0.197 375 D C 2.199 178.430 176.300 -0.116 0.000 0.987 375 D CA 1.596 55.548 54.000 -0.081 0.000 0.829 375 D CB 0.003 40.767 40.800 -0.059 0.000 0.961 375 D HN 0.349 nan 8.370 nan 0.000 0.460 376 A N 0.855 123.573 122.820 -0.171 0.000 1.930 376 A HA -0.116 4.208 4.320 0.007 0.000 0.217 376 A C 2.156 179.589 177.584 -0.252 0.000 1.175 376 A CA 0.766 52.681 52.037 -0.203 0.000 0.627 376 A CB -0.552 18.321 19.000 -0.210 0.000 0.815 376 A HN 0.213 nan 8.150 nan 0.000 0.443 377 L N -0.320 120.658 121.223 -0.410 0.000 2.141 377 L HA 0.019 4.363 4.340 0.007 0.000 0.209 377 L C 2.589 179.368 176.870 -0.152 0.000 1.094 377 L CA 1.892 56.517 54.840 -0.358 0.000 0.763 377 L CB -0.741 41.039 42.059 -0.465 0.000 0.908 377 L HN 0.327 nan 8.230 nan 0.000 0.437 378 A N -0.786 121.982 122.820 -0.087 0.000 1.908 378 A HA -0.182 4.142 4.320 0.007 0.000 0.218 378 A C 2.173 179.730 177.584 -0.046 0.000 1.181 378 A CA 1.709 53.735 52.037 -0.019 0.000 0.627 378 A CB -0.534 18.471 19.000 0.009 0.000 0.818 378 A HN 0.515 nan 8.150 nan 0.000 0.445 379 E N -0.856 119.310 120.200 -0.056 0.000 2.072 379 E HA -0.193 4.161 4.350 0.007 0.000 0.191 379 E C 1.938 178.502 176.600 -0.060 0.000 0.985 379 E CA 1.191 57.558 56.400 -0.056 0.000 0.801 379 E CB -0.593 29.070 29.700 -0.062 0.000 0.750 379 E HN 0.852 nan 8.360 nan 0.000 0.452 380 H N 1.436 120.409 119.070 -0.163 0.000 2.319 380 H HA -0.048 4.512 4.556 0.007 0.000 0.299 380 H C 2.094 177.324 175.328 -0.164 0.000 1.092 380 H CA 1.595 57.542 56.048 -0.168 0.000 1.302 380 H CB 0.232 29.871 29.762 -0.204 0.000 1.373 380 H HN 0.031 nan 8.280 nan 0.000 0.497 381 R N -0.119 120.255 120.500 -0.210 0.000 2.103 381 R HA -0.125 4.219 4.340 0.007 0.000 0.242 381 R C 2.538 178.723 176.300 -0.191 0.000 1.142 381 R CA 1.307 57.264 56.100 -0.237 0.000 0.960 381 R CB -0.028 30.141 30.300 -0.219 0.000 0.858 381 R HN 0.273 nan 8.270 nan 0.000 0.439 382 R N 0.496 120.913 120.500 -0.138 0.000 2.127 382 R HA -0.088 4.256 4.340 0.007 0.000 0.238 382 R C 2.349 178.571 176.300 -0.129 0.000 1.134 382 R CA 1.750 57.787 56.100 -0.105 0.000 0.975 382 R CB -1.031 29.228 30.300 -0.068 0.000 0.865 382 R HN 0.360 nan 8.270 nan 0.000 0.447 383 S N 0.704 116.295 115.700 -0.181 0.000 2.447 383 S HA -0.034 4.440 4.470 0.007 0.000 0.233 383 S C 1.890 176.372 174.600 -0.196 0.000 1.006 383 S CA 0.715 58.802 58.200 -0.187 0.000 0.957 383 S CB -0.335 62.741 63.200 -0.206 0.000 0.773 383 S HN 0.294 nan 8.310 nan 0.000 0.507 384 L N 0.933 122.011 121.223 -0.241 0.000 2.591 384 L HA 0.324 4.668 4.340 0.007 0.000 0.228 384 L C 1.753 178.557 176.870 -0.109 0.000 1.133 384 L CA 0.273 55.008 54.840 -0.175 0.000 0.880 384 L CB -0.872 41.073 42.059 -0.189 0.000 1.033 384 L HN 0.573 nan 8.230 nan 0.000 0.450 385 G N 0.942 109.682 108.800 -0.101 0.000 2.160 385 G HA2 -0.265 3.700 3.960 0.007 0.000 0.251 385 G HA3 -0.265 3.700 3.960 0.007 0.000 0.251 385 G C 0.005 174.866 174.900 -0.065 0.000 1.008 385 G CA -0.032 45.026 45.100 -0.070 0.000 0.724 385 G HN 0.261 nan 8.290 nan 0.000 0.514 386 L N 0.022 121.196 121.223 -0.082 0.000 2.331 386 L HA 0.640 4.985 4.340 0.007 0.000 0.275 386 L C 1.045 177.872 176.870 -0.073 0.000 1.022 386 L CA -0.823 53.967 54.840 -0.083 0.000 0.812 386 L CB 1.767 43.760 42.059 -0.109 0.000 1.257 386 L HN 0.149 nan 8.230 nan 0.000 0.435 387 T N 1.553 116.077 114.554 -0.049 0.000 2.930 387 T HA 0.568 4.922 4.350 0.007 0.000 0.306 387 T C -0.316 174.391 174.700 0.011 0.000 1.045 387 T CA -0.120 61.974 62.100 -0.010 0.000 1.134 387 T CB 0.373 69.251 68.868 0.018 0.000 0.961 387 T HN 0.772 nan 8.240 nan 0.000 0.545 388 A N 3.246 126.091 122.820 0.042 0.000 2.594 388 A HA 0.623 4.947 4.320 0.007 0.000 0.296 388 A C -0.856 176.770 177.584 0.069 0.000 1.056 388 A CA -0.751 51.359 52.037 0.122 0.000 0.693 388 A CB 1.569 20.636 19.000 0.112 0.000 1.278 388 A HN 0.715 nan 8.150 nan 0.000 0.408 389 S N 0.470 116.211 115.700 0.068 0.000 2.571 389 S HA 0.748 5.222 4.470 0.007 0.000 0.284 389 S C -0.593 174.017 174.600 0.018 0.000 1.128 389 S CA -0.385 57.828 58.200 0.023 0.000 0.970 389 S CB 1.828 65.031 63.200 0.004 0.000 1.039 389 S HN 0.772 nan 8.310 nan 0.000 0.485 390 S N 1.915 117.614 115.700 -0.003 0.000 2.473 390 S HA 0.611 5.085 4.470 0.007 0.000 0.307 390 S C -0.700 173.847 174.600 -0.088 0.000 1.094 390 S CA -0.618 57.568 58.200 -0.023 0.000 1.070 390 S CB 1.213 64.395 63.200 -0.030 0.000 1.019 390 S HN 0.505 nan 8.310 nan 0.000 0.480 391 V N 2.714 122.526 119.914 -0.171 0.000 2.349 391 V HA 0.623 4.747 4.120 0.007 0.000 0.284 391 V C 0.106 175.820 176.094 -0.633 0.000 1.014 391 V CA -0.944 61.086 62.300 -0.450 0.000 0.826 391 V CB 0.976 32.378 31.823 -0.702 0.000 1.009 391 V HN 0.944 nan 8.190 nan 0.000 0.431 392 A N 5.200 127.772 122.820 -0.412 0.000 2.343 392 A HA 0.579 4.903 4.320 0.007 0.000 0.305 392 A C -0.560 176.904 177.584 -0.200 0.000 1.308 392 A CA -0.376 51.483 52.037 -0.295 0.000 0.949 392 A CB -0.009 18.871 19.000 -0.201 0.000 1.148 392 A HN 0.829 nan 8.150 nan 0.000 0.545 393 W N 2.148 123.461 121.300 0.022 0.000 2.251 393 W HA 0.478 5.143 4.660 0.009 0.000 0.329 393 W C 1.119 177.713 176.519 0.125 0.000 1.234 393 W CA 0.090 57.512 57.345 0.129 0.000 1.228 393 W CB 1.180 30.802 29.460 0.269 0.000 1.135 393 W HN 0.878 nan 8.180 nan 0.000 0.576 394 G N 0.559 109.638 108.800 0.464 0.000 2.873 394 G HA2 0.251 4.215 3.960 0.007 0.000 0.170 394 G HA3 0.251 4.215 3.960 0.007 0.000 0.170 394 G C -0.560 174.530 174.900 0.316 0.000 1.608 394 G CA -0.429 44.882 45.100 0.352 0.000 1.084 394 G HN 0.319 nan 8.290 nan 0.000 0.563 395 T N 0.433 115.088 114.554 0.168 0.000 2.856 395 T HA 0.286 4.640 4.350 0.007 0.000 0.292 395 T C -1.111 173.635 174.700 0.077 0.000 0.980 395 T CA 0.063 62.253 62.100 0.150 0.000 1.091 395 T CB 0.955 69.829 68.868 0.010 0.000 0.936 395 T HN 0.291 nan 8.240 nan 0.000 0.503 396 W N 1.949 123.269 121.300 0.034 0.000 2.351 396 W HA 0.528 5.192 4.660 0.006 0.000 0.311 396 W C 1.199 177.733 176.519 0.025 0.000 1.168 396 W CA -0.299 57.026 57.345 -0.034 0.000 1.200 396 W CB 0.694 30.075 29.460 -0.132 0.000 1.221 396 W HN 0.911 nan 8.180 nan 0.000 0.519 397 G N 2.196 111.040 108.800 0.072 0.000 2.587 397 G HA2 -0.071 3.894 3.960 0.007 0.000 0.197 397 G HA3 -0.071 3.894 3.960 0.007 0.000 0.197 397 G C 0.115 175.069 174.900 0.089 0.000 1.540 397 G CA -0.065 45.069 45.100 0.058 0.000 0.910 397 G HN 0.545 nan 8.290 nan 0.000 0.437 406 E N 1.675 121.900 120.200 0.042 0.000 2.274 406 E HA -0.022 4.332 4.350 0.007 0.000 0.194 406 E C 1.548 178.176 176.600 0.046 0.000 0.996 406 E CA 1.315 57.739 56.400 0.039 0.000 0.840 406 E CB -0.440 29.272 29.700 0.020 0.000 0.772 406 E HN 0.215 nan 8.360 nan 0.000 0.491 407 V N 1.886 121.832 119.914 0.053 0.000 2.346 407 V HA -0.222 3.902 4.120 0.007 0.000 0.244 407 V C 2.684 178.823 176.094 0.075 0.000 1.037 407 V CA 1.808 64.138 62.300 0.050 0.000 1.029 407 V CB -0.975 30.866 31.823 0.030 0.000 0.663 407 V HN 0.421 nan 8.190 nan 0.000 0.454 408 H N 0.836 119.918 119.070 0.019 0.000 2.289 408 H HA -0.228 4.332 4.556 0.007 0.000 0.296 408 H C 2.052 177.400 175.328 0.033 0.000 1.091 408 H CA 2.475 58.543 56.048 0.032 0.000 1.274 408 H CB -0.095 29.681 29.762 0.023 0.000 1.364 408 H HN 0.399 nan 8.280 nan 0.000 0.490 409 D N -0.166 120.299 120.400 0.109 0.000 2.219 409 D HA -0.102 4.542 4.640 0.007 0.000 0.205 409 D C 2.474 178.771 176.300 -0.004 0.000 0.970 409 D CA 0.689 54.719 54.000 0.051 0.000 0.851 409 D CB -0.284 40.566 40.800 0.083 0.000 0.943 409 D HN 0.432 nan 8.370 nan 0.000 0.488 410 R N 0.533 121.037 120.500 0.006 0.000 2.075 410 R HA -0.076 4.268 4.340 0.007 0.000 0.232 410 R C 1.954 178.255 176.300 0.001 0.000 1.126 410 R CA 0.768 56.871 56.100 0.005 0.000 0.963 410 R CB -0.228 30.081 30.300 0.015 0.000 0.858 410 R HN 0.088 nan 8.270 nan 0.000 0.435 411 L N 0.869 122.088 121.223 -0.008 0.000 2.017 411 L HA -0.143 4.201 4.340 0.007 0.000 0.208 411 L C 2.567 179.420 176.870 -0.029 0.000 1.073 411 L CA 1.371 56.220 54.840 0.015 0.000 0.745 411 L CB -0.945 41.127 42.059 0.022 0.000 0.894 411 L HN 0.179 nan 8.230 nan 0.000 0.432 412 V N 0.862 120.703 119.914 -0.121 0.000 2.332 412 V HA -0.288 3.836 4.120 0.007 0.000 0.248 412 V C 2.665 178.730 176.094 -0.049 0.000 1.055 412 V CA 2.200 64.435 62.300 -0.110 0.000 1.038 412 V CB -0.683 31.047 31.823 -0.154 0.000 0.651 412 V HN 0.597 nan 8.190 nan 0.000 0.450 413 R N 0.173 120.655 120.500 -0.030 0.000 2.276 413 R HA -0.057 4.287 4.340 0.007 0.000 0.203 413 R C 1.751 178.047 176.300 -0.007 0.000 1.017 413 R CA 0.976 57.067 56.100 -0.016 0.000 1.010 413 R CB -0.338 29.956 30.300 -0.010 0.000 0.900 413 R HN 0.478 nan 8.270 nan 0.000 0.469 414 Q N 0.439 120.244 119.800 0.008 0.000 2.403 414 Q HA 0.145 4.489 4.340 0.007 0.000 0.203 414 Q C 0.411 176.460 176.000 0.081 0.000 0.932 414 Q CA 0.504 56.321 55.803 0.023 0.000 0.945 414 Q CB 0.833 29.598 28.738 0.044 0.000 1.045 414 Q HN 0.705 nan 8.270 nan 0.000 0.511 415 G N 0.138 108.953 108.800 0.024 0.000 2.141 415 G HA2 -0.225 3.739 3.960 0.007 0.000 0.231 415 G HA3 -0.225 3.739 3.960 0.007 0.000 0.231 415 G C 0.042 174.851 174.900 -0.151 0.000 0.984 415 G CA -0.043 45.030 45.100 -0.044 0.000 0.660 415 G HN 0.211 nan 8.290 nan 0.000 0.525 416 V N 2.763 122.629 119.914 -0.079 0.000 2.313 416 V HA 0.410 4.534 4.120 0.007 0.000 0.252 416 V C 1.145 177.171 176.094 -0.113 0.000 1.112 416 V CA -0.283 61.929 62.300 -0.147 0.000 0.984 416 V CB 0.522 32.359 31.823 0.023 0.000 1.157 416 V HN 0.356 nan 8.190 nan 0.000 0.493 417 L N 3.385 124.520 121.223 -0.146 0.000 2.436 417 L HA 0.547 4.891 4.340 0.007 0.000 0.265 417 L C 1.033 177.852 176.870 -0.085 0.000 1.168 417 L CA -0.316 54.461 54.840 -0.105 0.000 0.815 417 L CB 0.656 42.653 42.059 -0.102 0.000 1.109 417 L HN 0.610 nan 8.230 nan 0.000 0.462 418 A N 4.011 126.794 122.820 -0.061 0.000 2.492 418 A HA 0.350 4.674 4.320 0.007 0.000 0.254 418 A C 0.075 177.598 177.584 -0.101 0.000 1.091 418 A CA -0.130 51.881 52.037 -0.043 0.000 0.768 418 A CB -0.014 19.012 19.000 0.043 0.000 1.028 418 A HN 0.709 nan 8.150 nan 0.000 0.498 419 M N 1.479 120.956 119.600 -0.206 0.000 2.288 419 M HA 0.207 4.691 4.480 0.007 0.000 0.334 419 M C 0.405 176.509 176.300 -0.328 0.000 1.150 419 M CA -0.260 54.869 55.300 -0.284 0.000 1.118 419 M CB 0.836 33.154 32.600 -0.470 0.000 1.501 419 M HN 0.816 nan 8.290 nan 0.000 0.462 420 E N 3.013 123.042 120.200 -0.284 0.000 2.366 420 E HA 0.076 4.430 4.350 0.007 0.000 0.266 420 E C -1.981 174.380 176.600 -0.398 0.000 1.015 420 E CA -1.339 54.852 56.400 -0.349 0.000 0.906 420 E CB 0.847 30.209 29.700 -0.564 0.000 0.979 420 E HN 0.230 nan 8.360 nan 0.000 0.443 421 P HA -0.199 nan 4.420 nan 0.000 0.216 421 P C 0.390 177.611 177.300 -0.132 0.000 1.153 421 P CA 1.270 64.207 63.100 -0.272 0.000 0.858 421 P CB 0.235 31.980 31.700 0.075 0.000 0.789 422 E N -1.413 118.728 120.200 -0.099 0.000 2.153 422 E HA -0.208 4.146 4.350 0.007 0.000 0.194 422 E C 1.962 178.623 176.600 0.102 0.000 0.988 422 E CA 1.133 57.533 56.400 0.001 0.000 0.811 422 E CB -0.687 29.003 29.700 -0.016 0.000 0.746 422 E HN 0.595 nan 8.360 nan 0.000 0.466 423 H N 0.294 119.329 119.070 -0.058 0.000 2.343 423 H HA 0.071 4.631 4.556 0.007 0.000 0.303 423 H C 2.273 177.591 175.328 -0.017 0.000 1.068 423 H CA 0.561 56.594 56.048 -0.025 0.000 1.359 423 H CB 0.154 29.903 29.762 -0.021 0.000 1.402 423 H HN 0.161 nan 8.280 nan 0.000 0.515 424 A N 1.264 124.081 122.820 -0.005 0.000 1.877 424 A HA -0.139 4.185 4.320 0.007 0.000 0.216 424 A C 2.329 180.073 177.584 0.268 0.000 1.186 424 A CA 1.198 53.250 52.037 0.025 0.000 0.620 424 A CB -0.766 17.924 19.000 -0.516 0.000 0.822 424 A HN 0.272 nan 8.150 nan 0.000 0.443 425 L N -0.852 120.496 121.223 0.209 0.000 2.141 425 L HA -0.075 4.269 4.340 0.007 0.000 0.209 425 L C 2.774 179.786 176.870 0.236 0.000 1.094 425 L CA 0.841 55.861 54.840 0.300 0.000 0.763 425 L CB -0.746 41.460 42.059 0.245 0.000 0.908 425 L HN 0.510 nan 8.230 nan 0.000 0.437 426 G N -0.206 108.701 108.800 0.178 0.000 2.422 426 G HA2 -0.229 3.735 3.960 0.007 0.000 0.218 426 G HA3 -0.229 3.735 3.960 0.007 0.000 0.218 426 G C 1.784 176.766 174.900 0.136 0.000 1.146 426 G CA 0.777 45.962 45.100 0.141 0.000 0.769 426 G HN 0.449 nan 8.290 nan 0.000 0.547 427 A N 0.416 123.329 122.820 0.155 0.000 1.933 427 A HA 0.078 4.402 4.320 0.007 0.000 0.218 427 A C 2.330 180.003 177.584 0.148 0.000 1.175 427 A CA 1.641 53.759 52.037 0.134 0.000 0.628 427 A CB -0.409 18.680 19.000 0.148 0.000 0.814 427 A HN 0.440 nan 8.150 nan 0.000 0.444 428 L N 0.186 121.547 121.223 0.230 0.000 2.046 428 L HA -0.153 4.191 4.340 0.007 0.000 0.208 428 L C 1.535 178.523 176.870 0.196 0.000 1.077 428 L CA 2.493 57.466 54.840 0.220 0.000 0.747 428 L CB -0.756 41.538 42.059 0.393 0.000 0.896 428 L HN 0.316 nan 8.230 nan 0.000 0.432 429 D N -0.711 119.805 120.400 0.194 0.000 2.182 429 D HA -0.204 4.440 4.640 0.007 0.000 0.201 429 D C 2.191 178.558 176.300 0.112 0.000 0.986 429 D CA 1.203 55.297 54.000 0.157 0.000 0.847 429 D CB -0.056 40.825 40.800 0.135 0.000 0.942 429 D HN 0.563 nan 8.370 nan 0.000 0.467 430 Q N -0.174 119.681 119.800 0.092 0.000 2.084 430 Q HA -0.112 4.232 4.340 0.007 0.000 0.202 430 Q C 2.256 178.284 176.000 0.047 0.000 0.978 430 Q CA 0.813 56.650 55.803 0.058 0.000 0.844 430 Q CB -0.141 28.620 28.738 0.039 0.000 0.898 430 Q HN 0.312 nan 8.270 nan 0.000 0.426 431 M N 0.671 120.303 119.600 0.052 0.000 2.082 431 M HA -0.227 4.257 4.480 0.007 0.000 0.258 431 M C 1.897 178.227 176.300 0.049 0.000 1.069 431 M CA 1.612 56.934 55.300 0.037 0.000 1.102 431 M CB -0.025 32.592 32.600 0.029 0.000 1.336 431 M HN 0.219 nan 8.290 nan 0.000 0.404 432 L N -0.402 120.871 121.223 0.084 0.000 2.093 432 L HA -0.176 4.168 4.340 0.007 0.000 0.208 432 L C 2.455 179.369 176.870 0.073 0.000 1.085 432 L CA 0.889 55.784 54.840 0.092 0.000 0.755 432 L CB -0.813 41.335 42.059 0.148 0.000 0.904 432 L HN 0.280 nan 8.230 nan 0.000 0.435 433 E N 0.484 120.726 120.200 0.070 0.000 2.150 433 E HA -0.160 4.195 4.350 0.007 0.000 0.193 433 E C 1.647 178.269 176.600 0.035 0.000 0.985 433 E CA 1.065 57.498 56.400 0.054 0.000 0.814 433 E CB -0.359 29.371 29.700 0.050 0.000 0.752 433 E HN 0.659 nan 8.360 nan 0.000 0.466 434 N N 1.017 119.733 118.700 0.027 0.000 2.494 434 N HA -0.102 4.642 4.740 0.007 0.000 0.182 434 N C -0.041 175.476 175.510 0.013 0.000 1.076 434 N CA 0.371 53.428 53.050 0.011 0.000 0.908 434 N CB 0.106 38.590 38.487 -0.006 0.000 0.967 434 N HN -0.047 nan 8.380 nan 0.000 0.449 435 D N 1.174 121.588 120.400 0.024 0.000 2.708 435 D HA -0.154 4.490 4.640 0.007 0.000 0.236 435 D C -1.272 175.036 176.300 0.013 0.000 1.146 435 D CA 0.603 54.617 54.000 0.022 0.000 0.662 435 D CB -1.032 39.780 40.800 0.020 0.000 1.059 435 D HN 0.189 nan 8.370 nan 0.000 0.428 436 D N -0.974 119.432 120.400 0.010 0.000 2.372 436 D HA 0.139 4.783 4.640 0.007 0.000 0.243 436 D C 1.441 177.748 176.300 0.012 0.000 1.121 436 D CA 0.231 54.234 54.000 0.004 0.000 0.898 436 D CB 0.991 41.787 40.800 -0.008 0.000 1.202 436 D HN 0.107 nan 8.370 nan 0.000 0.428 437 T N 0.101 114.665 114.554 0.017 0.000 2.937 437 T HA 0.215 4.569 4.350 0.007 0.000 0.260 437 T C 0.567 175.276 174.700 0.015 0.000 1.051 437 T CA 0.588 62.697 62.100 0.016 0.000 1.141 437 T CB 0.292 69.168 68.868 0.014 0.000 0.879 437 T HN 0.526 nan 8.240 nan 0.000 0.459 438 A N 0.133 122.971 122.820 0.029 0.000 2.486 438 A HA 0.872 5.196 4.320 0.007 0.000 0.300 438 A C -1.145 176.467 177.584 0.046 0.000 1.048 438 A CA -0.452 51.601 52.037 0.026 0.000 0.696 438 A CB 1.504 20.531 19.000 0.045 0.000 1.278 438 A HN 0.468 nan 8.150 nan 0.000 0.405 439 A N 0.125 122.953 122.820 0.013 0.000 2.610 439 A HA 0.956 5.280 4.320 0.007 0.000 0.291 439 A C -0.563 177.029 177.584 0.013 0.000 1.086 439 A CA 0.011 52.080 52.037 0.052 0.000 0.677 439 A CB 0.872 19.879 19.000 0.012 0.000 1.278 439 A HN 2.553 nan 8.150 nan 0.000 0.414 440 A N 0.373 123.257 122.820 0.106 0.000 2.350 440 A HA 0.815 5.139 4.320 0.007 0.000 0.324 440 A C -0.847 176.852 177.584 0.191 0.000 1.118 440 A CA -0.407 51.698 52.037 0.113 0.000 0.783 440 A CB 0.583 19.731 19.000 0.247 0.000 1.236 440 A HN 0.801 nan 8.150 nan 0.000 0.457 441 I N 1.810 122.471 120.570 0.151 0.000 2.439 441 I HA 0.501 4.675 4.170 0.007 0.000 0.283 441 I C -0.266 176.042 176.117 0.318 0.000 1.023 441 I CA -0.097 61.344 61.300 0.235 0.000 1.100 441 I CB 2.022 40.137 38.000 0.192 0.000 1.238 441 I HN 0.661 nan 8.210 nan 0.000 0.445 442 T N 6.302 121.029 114.554 0.289 0.000 3.012 442 T HA 0.457 4.811 4.350 0.007 0.000 0.330 442 T C -1.796 172.965 174.700 0.102 0.000 1.321 442 T CA -0.446 61.761 62.100 0.178 0.000 1.067 442 T CB 1.683 70.643 68.868 0.154 0.000 1.235 442 T HN 0.335 nan 8.240 nan 0.000 0.479 443 L N 5.645 126.859 121.223 -0.015 0.000 2.264 443 L HA 0.734 5.078 4.340 0.007 0.000 0.289 443 L C -0.813 175.921 176.870 -0.226 0.000 1.044 443 L CA -0.224 54.581 54.840 -0.059 0.000 0.807 443 L CB 0.756 42.785 42.059 -0.051 0.000 1.192 443 L HN 0.631 nan 8.230 nan 0.000 0.425 444 M N 3.770 123.161 119.600 -0.349 0.000 2.456 444 M HA 0.319 4.803 4.480 0.007 0.000 0.324 444 M C -0.857 175.111 176.300 -0.553 0.000 1.124 444 M CA -0.547 54.289 55.300 -0.773 0.000 0.959 444 M CB 1.499 33.104 32.600 -1.658 0.000 1.692 444 M HN 0.519 nan 8.290 nan 0.000 0.444 445 D N 1.616 121.741 120.400 -0.458 0.000 2.485 445 D HA 0.193 4.837 4.640 0.007 0.000 0.221 445 D C 0.355 176.525 176.300 -0.216 0.000 1.112 445 D CA -0.203 53.657 54.000 -0.233 0.000 0.911 445 D CB 0.350 41.085 40.800 -0.110 0.000 1.019 445 D HN 0.505 nan 8.370 nan 0.000 0.516 446 W N 2.133 123.414 121.300 -0.031 0.000 2.374 446 W HA -0.085 4.581 4.660 0.009 0.000 0.288 446 W C 1.989 178.528 176.519 0.033 0.000 1.218 446 W CA 0.068 57.407 57.345 -0.010 0.000 1.245 446 W CB 0.202 29.645 29.460 -0.028 0.000 1.126 446 W HN 0.402 nan 8.180 nan 0.000 0.545 447 E N -0.454 119.873 120.200 0.213 0.000 2.153 447 E HA -0.192 4.162 4.350 0.007 0.000 0.194 447 E C 2.074 178.732 176.600 0.096 0.000 0.988 447 E CA 1.110 57.591 56.400 0.134 0.000 0.811 447 E CB -0.321 29.432 29.700 0.088 0.000 0.746 447 E HN 0.309 nan 8.360 nan 0.000 0.466 448 M N -0.909 118.733 119.600 0.071 0.000 2.357 448 M HA 0.015 4.499 4.480 0.007 0.000 0.266 448 M C 2.060 178.394 176.300 0.057 0.000 1.095 448 M CA 0.598 55.923 55.300 0.043 0.000 1.156 448 M CB -0.761 31.847 32.600 0.012 0.000 1.365 448 M HN 0.034 nan 8.290 nan 0.000 0.447 449 F N 1.189 121.080 119.950 -0.098 0.000 2.098 449 F HA -0.015 4.516 4.527 0.007 0.000 0.294 449 F C 2.318 178.132 175.800 0.022 0.000 1.107 449 F CA 1.643 59.561 58.000 -0.136 0.000 1.234 449 F CB -0.333 38.397 39.000 -0.450 0.000 1.002 449 F HN 0.116 nan 8.300 nan 0.000 0.472 450 A N 0.597 123.606 122.820 0.315 0.000 1.917 450 A HA -0.146 4.178 4.320 0.007 0.000 0.219 450 A C -0.359 177.289 177.584 0.106 0.000 1.182 450 A CA 2.089 54.275 52.037 0.248 0.000 0.633 450 A CB -2.123 17.054 19.000 0.294 0.000 0.819 450 A HN 0.377 nan 8.150 nan 0.000 0.448 451 P HA 0.025 nan 4.420 nan 0.000 0.218 451 P C 1.747 179.038 177.300 -0.016 0.000 1.152 451 P CA 1.583 64.701 63.100 0.029 0.000 0.826 451 P CB -0.049 31.668 31.700 0.027 0.000 0.790 452 A N -0.853 121.931 122.820 -0.060 0.000 1.877 452 A HA -0.195 4.129 4.320 0.007 0.000 0.216 452 A C 2.088 179.593 177.584 -0.133 0.000 1.186 452 A CA 1.360 53.334 52.037 -0.105 0.000 0.620 452 A CB -1.872 17.047 19.000 -0.135 0.000 0.822 452 A HN 0.146 nan 8.150 nan 0.000 0.443 453 F N 1.633 121.343 119.950 -0.401 0.000 2.293 453 F HA -0.096 4.435 4.527 0.007 0.000 0.300 453 F C 2.172 177.865 175.800 -0.178 0.000 1.086 453 F CA 1.974 59.738 58.000 -0.392 0.000 1.375 453 F CB 0.043 38.632 39.000 -0.686 0.000 1.045 453 F HN 0.290 nan 8.300 nan 0.000 0.516 454 T N -2.618 111.941 114.554 0.009 0.000 3.176 454 T HA 0.450 4.804 4.350 0.007 0.000 0.263 454 T C 1.677 176.350 174.700 -0.046 0.000 1.021 454 T CA 0.213 62.304 62.100 -0.015 0.000 0.905 454 T CB -0.071 68.846 68.868 0.082 0.000 1.057 454 T HN 0.164 nan 8.240 nan 0.000 0.558 455 A N 2.820 125.594 122.820 -0.076 0.000 1.933 455 A HA -0.066 4.258 4.320 0.007 0.000 0.218 455 A C 2.270 179.818 177.584 -0.060 0.000 1.175 455 A CA 1.285 53.286 52.037 -0.059 0.000 0.628 455 A CB -0.394 18.564 19.000 -0.070 0.000 0.814 455 A HN 0.545 nan 8.150 nan 0.000 0.444 456 N N -1.612 117.036 118.700 -0.087 0.000 2.322 456 N HA 0.099 4.843 4.740 0.007 0.000 0.181 456 N C 0.521 175.994 175.510 -0.060 0.000 1.088 456 N CA 0.359 53.365 53.050 -0.074 0.000 0.885 456 N CB 0.461 38.892 38.487 -0.094 0.000 1.013 456 N HN 0.612 nan 8.380 nan 0.000 0.472 457 R N 0.754 121.213 120.500 -0.069 0.000 2.604 457 R HA 0.266 4.610 4.340 0.007 0.000 0.261 457 R C -3.080 173.207 176.300 -0.022 0.000 1.080 457 R CA -1.020 55.055 56.100 -0.041 0.000 0.917 457 R CB 2.083 32.350 30.300 -0.054 0.000 1.252 457 R HN -0.171 nan 8.270 nan 0.000 0.456 458 P HA 0.100 nan 4.420 nan 0.000 0.274 458 P C -1.066 176.281 177.300 0.078 0.000 1.246 458 P CA -0.393 62.735 63.100 0.046 0.000 0.795 458 P CB 1.295 33.023 31.700 0.047 0.000 1.006 459 S N -0.377 115.401 115.700 0.130 0.000 2.733 459 S HA 0.501 4.976 4.470 0.007 0.000 0.307 459 S C 0.833 175.516 174.600 0.140 0.000 1.127 459 S CA -0.377 57.941 58.200 0.197 0.000 1.097 459 S CB 0.150 63.588 63.200 0.396 0.000 1.003 459 S HN 0.454 nan 8.310 nan 0.000 0.477 460 A N 4.700 127.589 122.820 0.114 0.000 2.119 460 A HA 0.103 4.427 4.320 0.007 0.000 0.216 460 A C 1.820 179.433 177.584 0.047 0.000 1.152 460 A CA 0.682 52.762 52.037 0.071 0.000 0.708 460 A CB -0.501 18.543 19.000 0.072 0.000 0.805 460 A HN 0.827 nan 8.150 nan 0.000 0.460 461 L N -0.162 121.109 121.223 0.079 0.000 2.043 461 L HA -0.144 4.200 4.340 0.007 0.000 0.212 461 L C 1.854 178.711 176.870 -0.023 0.000 1.075 461 L CA 1.892 56.753 54.840 0.035 0.000 0.752 461 L CB -0.300 41.831 42.059 0.119 0.000 0.891 461 L HN 0.425 nan 8.230 nan 0.000 0.432 462 L N -0.721 120.501 121.223 -0.003 0.000 2.612 462 L HA 0.058 4.402 4.340 0.007 0.000 0.230 462 L C 2.186 178.975 176.870 -0.134 0.000 1.140 462 L CA 0.607 55.378 54.840 -0.115 0.000 0.896 462 L CB -0.689 41.324 42.059 -0.077 0.000 1.065 462 L HN 0.392 nan 8.230 nan 0.000 0.447 463 S N -1.427 114.231 115.700 -0.070 0.000 2.474 463 S HA -0.121 4.353 4.470 0.007 0.000 0.235 463 S C 1.690 176.239 174.600 -0.084 0.000 0.997 463 S CA 1.174 59.338 58.200 -0.060 0.000 0.949 463 S CB -0.612 62.575 63.200 -0.021 0.000 0.766 463 S HN 0.531 nan 8.310 nan 0.000 0.517 464 T N -0.615 113.873 114.554 -0.109 0.000 3.122 464 T HA 0.374 4.728 4.350 0.007 0.000 0.250 464 T C 0.202 174.822 174.700 -0.132 0.000 1.067 464 T CA -0.342 61.698 62.100 -0.099 0.000 0.966 464 T CB -0.050 68.768 68.868 -0.084 0.000 1.002 464 T HN 0.178 nan 8.240 nan 0.000 0.542 465 V N 3.570 123.333 119.914 -0.252 0.000 2.318 465 V HA 0.269 4.393 4.120 0.007 0.000 0.271 465 V C -1.590 174.314 176.094 -0.315 0.000 1.030 465 V CA -1.783 60.278 62.300 -0.398 0.000 0.844 465 V CB 1.365 32.641 31.823 -0.912 0.000 1.015 465 V HN 0.094 nan 8.190 nan 0.000 0.460 466 P HA -0.108 nan 4.420 nan 0.000 0.218 466 P C 1.240 178.464 177.300 -0.126 0.000 1.148 466 P CA 0.969 64.004 63.100 -0.109 0.000 0.822 466 P CB 0.441 32.108 31.700 -0.055 0.000 0.784 467 E N -0.453 119.642 120.200 -0.175 0.000 2.150 467 E HA -0.100 4.254 4.350 0.007 0.000 0.193 467 E C 2.080 178.617 176.600 -0.105 0.000 0.985 467 E CA 1.328 57.667 56.400 -0.102 0.000 0.814 467 E CB -0.819 28.866 29.700 -0.024 0.000 0.752 467 E HN 0.177 nan 8.360 nan 0.000 0.466 468 A N 0.509 123.132 122.820 -0.328 0.000 1.872 468 A HA -0.102 4.222 4.320 0.007 0.000 0.214 468 A C 2.453 179.997 177.584 -0.067 0.000 1.187 468 A CA 1.044 52.981 52.037 -0.167 0.000 0.614 468 A CB -0.708 18.067 19.000 -0.376 0.000 0.826 468 A HN 0.131 nan 8.150 nan 0.000 0.442 469 V N 0.439 120.291 119.914 -0.104 0.000 2.282 469 V HA -0.275 3.849 4.120 0.007 0.000 0.249 469 V C 2.814 178.897 176.094 -0.019 0.000 1.057 469 V CA 2.508 64.778 62.300 -0.049 0.000 1.032 469 V CB -0.958 30.831 31.823 -0.056 0.000 0.645 469 V HN 0.573 nan 8.190 nan 0.000 0.447 470 S N 0.279 115.967 115.700 -0.020 0.000 2.382 470 S HA -0.169 4.305 4.470 0.007 0.000 0.228 470 S C 2.174 176.788 174.600 0.023 0.000 1.027 470 S CA 1.387 59.588 58.200 0.002 0.000 0.991 470 S CB -0.523 62.679 63.200 0.003 0.000 0.823 470 S HN 0.671 nan 8.310 nan 0.000 0.469 471 A N 1.121 123.966 122.820 0.043 0.000 1.969 471 A HA 0.103 4.427 4.320 0.007 0.000 0.218 471 A C 2.001 179.616 177.584 0.051 0.000 1.169 471 A CA 0.937 53.014 52.037 0.066 0.000 0.635 471 A CB -0.501 18.570 19.000 0.119 0.000 0.810 471 A HN 0.470 nan 8.150 nan 0.000 0.445 472 L N -1.964 119.284 121.223 0.042 0.000 2.446 472 L HA 0.174 4.518 4.340 0.007 0.000 0.219 472 L C 0.883 177.768 176.870 0.024 0.000 1.116 472 L CA 0.532 55.393 54.840 0.036 0.000 0.844 472 L CB 0.090 42.171 42.059 0.037 0.000 0.970 472 L HN 0.403 nan 8.230 nan 0.000 0.457 473 S N 0.000 115.711 115.700 0.019 0.000 2.498 473 S HA 0.000 4.474 4.470 0.007 0.000 0.327 473 S CA 0.000 58.209 58.200 0.014 0.000 1.107 473 S CB 0.000 63.208 63.200 0.013 0.000 0.593 473 S HN 0.000 nan 8.310 nan 0.000 0.517