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 3eya_1_E DATA FIRST_RESID 1 DATA SEQUENCE MKQTVAAYIA KTLESAGVKR IWGVTGDSLN GLSDSLNRMG TIEWMSTRHE DATA SEQUENCE EVAAFAAGAE AQLSGELAVC AGSCGPGNLH LINGLFDCHR NHVPVLAIAA DATA SEQUENCE HIPSSEIGSG YFQETHPQEL FRECSHYCEL VSSPEQIPQV LAIAMRKAVL DATA SEQUENCE NRGVSVVVLP GDVALKPAPE GATMHWYHAP QPVVTPEEEE LRKLAQLLRY DATA SEQUENCE SSNIALMCGS GCAGAHKELV EFAGKIKAPI VHALRGKEHV EYDNPYDVGM DATA SEQUENCE TGLIGFSSGF HTMMNADTLV LLGTQFPYRA FYPTDAKIIQ IDINPASIGA DATA SEQUENCE HSKVDMALVG DIKSTLRALL PLVEEKADRK FLDKALEDYR DARKGLDDLA DATA SEQUENCE KPSEKAIHPQ YLAQQISHFA ADDAIFTCDV GTPTVWAARY LKMNGKRRLL DATA SEQUENCE GSFNHGSMAN AMPQALGAQA TEPERQVVAM CGDGGFSMLM GDFLSVVQMK DATA SEQUENCE LPVKIVVFNN SVLGXXXXXX XXXXXXXXGT ELHDTNFARI AEACGITGIR DATA SEQUENCE VEKASEVDEA LQRAFSIDGP VLVDVVVAKE ELAIPP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.332 176.300 0.054 0.000 1.140 1 M CA 0.000 55.336 55.300 0.060 0.000 0.988 1 M CB 0.000 32.625 32.600 0.042 0.000 1.302 2 K N 2.683 123.107 120.400 0.040 0.000 2.253 2 K HA 0.606 4.926 4.320 0.000 0.000 0.277 2 K C -0.813 175.809 176.600 0.037 0.000 1.053 2 K CA 0.133 56.440 56.287 0.033 0.000 0.892 2 K CB 0.575 33.088 32.500 0.021 0.000 1.102 2 K HN 0.866 nan 8.250 nan 0.000 0.469 3 Q N 1.060 120.887 119.800 0.044 0.000 2.756 3 Q HA 0.227 4.567 4.340 0.000 0.000 0.295 3 Q C -1.113 174.919 176.000 0.054 0.000 0.903 3 Q CA -1.084 54.751 55.803 0.053 0.000 0.768 3 Q CB 0.899 29.685 28.738 0.080 0.000 1.472 3 Q HN 0.521 nan 8.270 nan 0.000 0.416 4 T N -1.966 112.621 114.554 0.055 0.000 2.874 4 T HA 0.320 4.671 4.350 0.000 0.000 0.281 4 T C 1.293 176.041 174.700 0.080 0.000 0.994 4 T CA -0.209 61.920 62.100 0.049 0.000 1.015 4 T CB 1.110 69.999 68.868 0.034 0.000 1.028 4 T HN 0.430 nan 8.240 nan 0.000 0.523 5 V N 1.746 121.698 119.914 0.063 0.000 2.282 5 V HA -0.201 3.920 4.120 0.000 0.000 0.249 5 V C 3.087 179.263 176.094 0.136 0.000 1.057 5 V CA 2.536 64.889 62.300 0.090 0.000 1.032 5 V CB -1.626 30.229 31.823 0.052 0.000 0.645 5 V HN 1.091 nan 8.190 nan 0.000 0.447 6 A N -0.266 122.606 122.820 0.087 0.000 1.902 6 A HA -0.121 4.199 4.320 0.000 0.000 0.217 6 A C 2.419 180.046 177.584 0.071 0.000 1.181 6 A CA 2.112 54.192 52.037 0.072 0.000 0.623 6 A CB -0.765 18.258 19.000 0.039 0.000 0.818 6 A HN 0.601 nan 8.150 nan 0.000 0.443 7 A N -1.495 121.370 122.820 0.074 0.000 1.933 7 A HA -0.114 4.206 4.320 0.000 0.000 0.218 7 A C 2.127 179.758 177.584 0.077 0.000 1.175 7 A CA 1.646 53.719 52.037 0.061 0.000 0.628 7 A CB -0.809 18.226 19.000 0.058 0.000 0.814 7 A HN 0.766 nan 8.150 nan 0.000 0.444 8 Y N 0.561 120.872 120.300 0.018 0.000 2.181 8 Y HA -0.201 4.348 4.550 -0.001 0.000 0.288 8 Y C 1.959 177.872 175.900 0.022 0.000 1.146 8 Y CA 1.852 59.967 58.100 0.025 0.000 1.164 8 Y CB -0.257 38.221 38.460 0.030 0.000 0.982 8 Y HN 0.276 nan 8.280 nan 0.000 0.515 9 I N 0.180 120.783 120.570 0.055 0.000 2.179 9 I HA -0.344 3.826 4.170 0.000 0.000 0.242 9 I C 2.716 178.768 176.117 -0.107 0.000 1.088 9 I CA 1.318 62.596 61.300 -0.037 0.000 1.357 9 I CB -0.841 37.194 38.000 0.059 0.000 1.051 9 I HN 0.349 nan 8.210 nan 0.000 0.409 10 A N 0.471 123.259 122.820 -0.053 0.000 1.877 10 A HA -0.208 4.112 4.320 0.000 0.000 0.216 10 A C 2.346 179.876 177.584 -0.090 0.000 1.186 10 A CA 1.514 53.520 52.037 -0.053 0.000 0.620 10 A CB -0.408 18.582 19.000 -0.017 0.000 0.822 10 A HN 0.194 nan 8.150 nan 0.000 0.443 11 K N -0.576 119.760 120.400 -0.107 0.000 2.097 11 K HA -0.102 4.218 4.320 0.000 0.000 0.206 11 K C 2.108 178.612 176.600 -0.160 0.000 1.049 11 K CA 1.850 58.071 56.287 -0.111 0.000 0.933 11 K CB -0.789 31.655 32.500 -0.092 0.000 0.717 11 K HN 0.548 nan 8.250 nan 0.000 0.442 12 T N 2.158 116.547 114.554 -0.275 0.000 2.777 12 T HA -0.041 4.309 4.350 0.000 0.000 0.266 12 T C 2.031 176.590 174.700 -0.234 0.000 1.040 12 T CA 0.847 62.785 62.100 -0.271 0.000 1.141 12 T CB -0.131 68.494 68.868 -0.405 0.000 0.868 12 T HN 0.109 nan 8.240 nan 0.000 0.444 13 L N 0.876 121.964 121.223 -0.226 0.000 2.042 13 L HA -0.124 4.216 4.340 0.000 0.000 0.210 13 L C 2.812 179.577 176.870 -0.174 0.000 1.076 13 L CA 1.494 56.200 54.840 -0.222 0.000 0.749 13 L CB -0.591 41.375 42.059 -0.155 0.000 0.893 13 L HN 0.358 nan 8.230 nan 0.000 0.432 14 E N -0.128 119.999 120.200 -0.122 0.000 2.085 14 E HA -0.280 4.070 4.350 0.000 0.000 0.194 14 E C 2.331 178.883 176.600 -0.080 0.000 0.994 14 E CA 1.649 57.999 56.400 -0.084 0.000 0.801 14 E CB 0.014 29.681 29.700 -0.055 0.000 0.743 14 E HN 0.328 nan 8.360 nan 0.000 0.453 15 S N -0.509 115.142 115.700 -0.082 0.000 2.402 15 S HA -0.050 4.421 4.470 0.000 0.000 0.229 15 S C 1.839 176.397 174.600 -0.069 0.000 1.021 15 S CA 0.992 59.161 58.200 -0.052 0.000 0.974 15 S CB -0.145 63.037 63.200 -0.030 0.000 0.800 15 S HN 0.396 nan 8.310 nan 0.000 0.484 16 A N -0.213 122.501 122.820 -0.176 0.000 2.235 16 A HA 0.460 4.780 4.320 0.000 0.000 0.208 16 A C 1.655 179.129 177.584 -0.183 0.000 1.172 16 A CA 0.936 52.794 52.037 -0.298 0.000 0.786 16 A CB -1.086 17.426 19.000 -0.813 0.000 0.804 16 A HN 1.370 nan 8.150 nan 0.000 0.479 17 G N -1.242 107.482 108.800 -0.128 0.000 2.157 17 G HA2 -0.126 3.834 3.960 0.000 0.000 0.239 17 G HA3 -0.126 3.834 3.960 0.000 0.000 0.239 17 G C 0.482 175.325 174.900 -0.095 0.000 0.982 17 G CA 0.463 45.506 45.100 -0.095 0.000 0.650 17 G HN 1.773 nan 8.290 nan 0.000 0.527 18 V N -0.257 119.588 119.914 -0.116 0.000 2.655 18 V HA 0.582 4.703 4.120 0.000 0.000 0.300 18 V C 1.193 177.248 176.094 -0.065 0.000 1.044 18 V CA 1.366 63.613 62.300 -0.088 0.000 1.095 18 V CB 1.162 32.928 31.823 -0.096 0.000 0.952 18 V HN 0.345 nan 8.190 nan 0.000 0.485 19 K N 5.025 125.394 120.400 -0.052 0.000 2.370 19 K HA 0.289 4.610 4.320 0.000 0.000 0.194 19 K C 0.388 176.939 176.600 -0.082 0.000 1.070 19 K CA 0.271 56.525 56.287 -0.055 0.000 0.998 19 K CB 0.377 32.852 32.500 -0.042 0.000 0.911 19 K HN 0.896 nan 8.250 nan 0.000 0.533 20 R N 0.160 120.601 120.500 -0.099 0.000 2.692 20 R HA 0.483 4.823 4.340 0.000 0.000 0.269 20 R C -1.419 174.763 176.300 -0.197 0.000 1.030 20 R CA -0.763 55.215 56.100 -0.203 0.000 0.882 20 R CB 1.001 31.076 30.300 -0.376 0.000 1.250 20 R HN -0.143 nan 8.270 nan 0.000 0.465 21 I N 1.196 121.603 120.570 -0.272 0.000 2.465 21 I HA 0.392 4.562 4.170 0.000 0.000 0.291 21 I C -1.080 174.679 176.117 -0.596 0.000 1.014 21 I CA -0.740 60.423 61.300 -0.228 0.000 1.093 21 I CB 1.645 39.641 38.000 -0.007 0.000 1.267 21 I HN 0.478 nan 8.210 nan 0.000 0.431 22 W N 5.003 126.052 121.300 -0.418 0.000 2.390 22 W HA 0.704 5.365 4.660 0.001 0.000 0.312 22 W C 0.610 176.776 176.519 -0.588 0.000 1.123 22 W CA 0.031 57.076 57.345 -0.501 0.000 1.202 22 W CB 1.622 30.928 29.460 -0.257 0.000 1.251 22 W HN 0.620 nan 8.180 nan 0.000 0.511 23 G N 0.197 108.662 108.800 -0.558 0.000 2.428 23 G HA2 0.513 4.474 3.960 0.000 0.000 0.305 23 G HA3 0.513 4.474 3.960 0.000 0.000 0.305 23 G C -2.165 172.761 174.900 0.043 0.000 1.260 23 G CA -0.804 44.166 45.100 -0.216 0.000 0.853 23 G HN 0.274 nan 8.290 nan 0.000 0.480 24 V N 1.061 121.167 119.914 0.319 0.000 2.709 24 V HA 0.631 4.751 4.120 0.000 0.000 0.308 24 V C 0.887 177.252 176.094 0.452 0.000 1.062 24 V CA -0.093 62.436 62.300 0.382 0.000 0.901 24 V CB 1.405 33.356 31.823 0.214 0.000 1.003 24 V HN 1.298 nan 8.190 nan 0.000 0.425 25 T N 1.316 116.085 114.554 0.358 0.000 2.652 25 T HA 0.700 5.050 4.350 0.000 0.000 0.319 25 T C 0.326 175.070 174.700 0.072 0.000 1.029 25 T CA 0.238 62.396 62.100 0.097 0.000 0.990 25 T CB 1.204 70.011 68.868 -0.102 0.000 1.098 25 T HN 1.540 nan 8.240 nan 0.000 0.520 26 G N -0.863 107.943 108.800 0.010 0.000 2.387 26 G HA2 0.397 4.358 3.960 0.000 0.000 0.294 26 G HA3 0.397 4.358 3.960 0.000 0.000 0.294 26 G C -0.436 174.464 174.900 0.000 0.000 1.509 26 G CA -0.564 44.549 45.100 0.022 0.000 0.806 26 G HN 0.482 nan 8.290 nan 0.000 0.546 27 D N 0.193 120.605 120.400 0.019 0.000 2.182 27 D HA -0.097 4.543 4.640 0.000 0.000 0.201 27 D C 2.702 179.011 176.300 0.015 0.000 0.986 27 D CA 1.977 55.986 54.000 0.015 0.000 0.847 27 D CB 0.138 40.962 40.800 0.039 0.000 0.942 27 D HN 0.404 nan 8.370 nan 0.000 0.467 28 S N -0.560 115.159 115.700 0.031 0.000 2.507 28 S HA -0.050 4.420 4.470 0.000 0.000 0.235 28 S C 1.665 176.279 174.600 0.022 0.000 0.988 28 S CA 0.376 58.596 58.200 0.034 0.000 0.944 28 S CB -0.186 63.044 63.200 0.051 0.000 0.762 28 S HN 0.248 nan 8.310 nan 0.000 0.526 29 L N 0.983 122.206 121.223 -0.000 0.000 2.700 29 L HA 0.298 4.638 4.340 0.000 0.000 0.234 29 L C 1.430 178.255 176.870 -0.075 0.000 1.156 29 L CA -0.243 54.580 54.840 -0.028 0.000 0.946 29 L CB -0.255 41.777 42.059 -0.045 0.000 1.216 29 L HN 0.124 nan 8.230 nan 0.000 0.493 30 N N 1.134 119.801 118.700 -0.055 0.000 2.061 30 N HA -0.165 4.575 4.740 0.000 0.000 0.193 30 N C 1.944 177.418 175.510 -0.060 0.000 1.030 30 N CA 1.641 54.651 53.050 -0.066 0.000 0.856 30 N CB -0.396 38.068 38.487 -0.040 0.000 1.023 30 N HN 0.362 nan 8.380 nan 0.000 0.424 31 G N 1.124 109.904 108.800 -0.033 0.000 2.459 31 G HA2 -0.230 3.730 3.960 0.000 0.000 0.217 31 G HA3 -0.230 3.730 3.960 0.000 0.000 0.217 31 G C 1.588 176.471 174.900 -0.028 0.000 1.183 31 G CA 0.823 45.912 45.100 -0.019 0.000 0.776 31 G HN 0.281 nan 8.290 nan 0.000 0.552 32 L N 1.009 122.212 121.223 -0.033 0.000 1.994 32 L HA 0.001 4.341 4.340 0.000 0.000 0.208 32 L C 3.021 179.834 176.870 -0.094 0.000 1.071 32 L CA 2.437 57.255 54.840 -0.036 0.000 0.745 32 L CB -0.739 41.316 42.059 -0.007 0.000 0.892 32 L HN 0.189 nan 8.230 nan 0.000 0.431 33 S N -0.575 115.017 115.700 -0.181 0.000 2.359 33 S HA -0.260 4.210 4.470 0.000 0.000 0.224 33 S C 1.672 176.180 174.600 -0.153 0.000 1.035 33 S CA 1.547 59.591 58.200 -0.260 0.000 1.018 33 S CB -0.582 62.418 63.200 -0.334 0.000 0.876 33 S HN 0.695 nan 8.310 nan 0.000 0.448 34 D N 1.330 121.667 120.400 -0.105 0.000 2.117 34 D HA -0.105 4.535 4.640 0.000 0.000 0.197 34 D C 2.084 178.355 176.300 -0.048 0.000 0.987 34 D CA 1.729 55.688 54.000 -0.069 0.000 0.829 34 D CB -0.204 40.567 40.800 -0.049 0.000 0.961 34 D HN 0.447 nan 8.370 nan 0.000 0.460 35 S N -0.252 115.425 115.700 -0.037 0.000 2.406 35 S HA -0.074 4.396 4.470 0.000 0.000 0.228 35 S C 2.295 176.882 174.600 -0.021 0.000 1.020 35 S CA 0.474 58.663 58.200 -0.019 0.000 0.965 35 S CB -0.641 62.558 63.200 -0.002 0.000 0.798 35 S HN 0.320 nan 8.310 nan 0.000 0.488 36 L N 1.769 122.974 121.223 -0.030 0.000 2.046 36 L HA -0.131 4.210 4.340 0.000 0.000 0.208 36 L C 2.462 179.318 176.870 -0.024 0.000 1.077 36 L CA 1.537 56.367 54.840 -0.016 0.000 0.747 36 L CB -0.896 41.162 42.059 -0.001 0.000 0.896 36 L HN 0.376 nan 8.230 nan 0.000 0.432 37 N N -0.279 118.393 118.700 -0.045 0.000 2.084 37 N HA -0.162 4.579 4.740 0.000 0.000 0.190 37 N C 1.928 177.422 175.510 -0.025 0.000 1.030 37 N CA 1.082 54.108 53.050 -0.040 0.000 0.849 37 N CB -0.007 38.447 38.487 -0.054 0.000 1.012 37 N HN 0.248 nan 8.380 nan 0.000 0.423 38 R N 0.186 120.673 120.500 -0.023 0.000 2.092 38 R HA -0.019 4.321 4.340 0.000 0.000 0.231 38 R C 2.109 178.403 176.300 -0.009 0.000 1.119 38 R CA 0.929 57.020 56.100 -0.014 0.000 0.970 38 R CB -0.227 30.067 30.300 -0.011 0.000 0.864 38 R HN 0.318 nan 8.270 nan 0.000 0.440 39 M N -0.242 119.353 119.600 -0.009 0.000 2.123 39 M HA -0.005 4.475 4.480 0.000 0.000 0.263 39 M C 0.944 177.240 176.300 -0.007 0.000 1.069 39 M CA 1.708 57.004 55.300 -0.007 0.000 1.133 39 M CB 0.064 32.659 32.600 -0.008 0.000 1.356 39 M HN 0.460 nan 8.290 nan 0.000 0.415 40 G N 0.043 108.839 108.800 -0.008 0.000 2.225 40 G HA2 -0.308 3.653 3.960 0.000 0.000 0.267 40 G HA3 -0.308 3.653 3.960 0.000 0.000 0.267 40 G C 0.492 175.387 174.900 -0.009 0.000 1.024 40 G CA 0.914 46.009 45.100 -0.008 0.000 0.784 40 G HN 0.573 nan 8.290 nan 0.000 0.507 41 T N -2.933 111.615 114.554 -0.010 0.000 3.125 41 T HA 0.439 4.789 4.350 0.000 0.000 0.252 41 T C 1.248 175.935 174.700 -0.021 0.000 0.981 41 T CA 0.309 62.400 62.100 -0.015 0.000 1.069 41 T CB 0.388 69.246 68.868 -0.016 0.000 1.091 41 T HN 0.356 nan 8.240 nan 0.000 0.460 42 I N 2.711 123.271 120.570 -0.017 0.000 2.496 42 I HA 0.286 4.456 4.170 0.000 0.000 0.285 42 I C 0.293 176.405 176.117 -0.009 0.000 1.080 42 I CA -0.406 60.881 61.300 -0.022 0.000 1.404 42 I CB 1.053 39.045 38.000 -0.013 0.000 1.403 42 I HN 0.404 nan 8.210 nan 0.000 0.539 43 E N 7.179 127.351 120.200 -0.046 0.000 2.227 43 E HA 0.075 4.425 4.350 0.000 0.000 0.282 43 E C -1.133 175.434 176.600 -0.055 0.000 1.015 43 E CA -0.729 55.641 56.400 -0.050 0.000 0.823 43 E CB 1.108 30.743 29.700 -0.108 0.000 1.081 43 E HN 0.564 nan 8.360 nan 0.000 0.396 44 W N 7.661 128.862 121.300 -0.166 0.000 2.335 44 W HA 0.204 4.866 4.660 0.002 0.000 0.306 44 W C -1.341 175.038 176.519 -0.234 0.000 1.216 44 W CA -0.818 56.424 57.345 -0.173 0.000 1.237 44 W CB 1.038 30.438 29.460 -0.100 0.000 1.243 44 W HN 0.465 nan 8.180 nan 0.000 0.493 45 M N 6.026 125.071 119.600 -0.925 0.000 2.047 45 M HA 0.067 4.547 4.480 0.000 0.000 0.342 45 M C -0.041 175.847 176.300 -0.686 0.000 1.058 45 M CA -0.292 54.517 55.300 -0.819 0.000 0.991 45 M CB 0.834 32.582 32.600 -1.419 0.000 1.474 45 M HN 0.269 nan 8.290 nan 0.000 0.419 46 S N 3.006 118.526 115.700 -0.300 0.000 2.430 46 S HA 0.492 4.963 4.470 0.000 0.000 0.289 46 S C 0.400 175.026 174.600 0.043 0.000 1.143 46 S CA -0.384 57.789 58.200 -0.046 0.000 1.067 46 S CB 0.343 63.675 63.200 0.221 0.000 0.964 46 S HN 0.762 nan 8.310 nan 0.000 0.485 47 T N 3.135 117.740 114.554 0.085 0.000 2.897 47 T HA 0.523 4.873 4.350 0.000 0.000 0.278 47 T C 1.099 175.878 174.700 0.132 0.000 0.981 47 T CA -0.888 61.291 62.100 0.133 0.000 0.973 47 T CB 0.734 69.703 68.868 0.168 0.000 1.092 47 T HN 0.436 nan 8.240 nan 0.000 0.543 48 R N -0.346 120.233 120.500 0.131 0.000 2.173 48 R HA 0.178 4.519 4.340 0.000 0.000 0.208 48 R C 0.506 176.899 176.300 0.155 0.000 1.035 48 R CA 0.699 56.876 56.100 0.128 0.000 1.004 48 R CB -0.684 29.683 30.300 0.111 0.000 0.917 48 R HN 0.764 nan 8.270 nan 0.000 0.462 49 H N 0.073 119.181 119.070 0.065 0.000 2.759 49 H HA 0.198 4.754 4.556 0.000 0.000 0.354 49 H C -0.093 175.275 175.328 0.067 0.000 1.074 49 H CA -0.286 55.784 56.048 0.038 0.000 1.226 49 H CB 1.791 31.520 29.762 -0.055 0.000 1.648 49 H HN -0.192 nan 8.280 nan 0.000 0.529 50 E N 2.410 122.748 120.200 0.231 0.000 2.265 50 E HA -0.161 4.189 4.350 0.000 0.000 0.196 50 E C 1.666 178.430 176.600 0.274 0.000 0.996 50 E CA 1.067 57.615 56.400 0.247 0.000 0.832 50 E CB 0.261 30.098 29.700 0.229 0.000 0.756 50 E HN 0.735 nan 8.360 nan 0.000 0.491 51 E N 0.335 120.806 120.200 0.452 0.000 2.085 51 E HA -0.200 4.150 4.350 0.000 0.000 0.194 51 E C 1.740 178.435 176.600 0.159 0.000 0.994 51 E CA 1.324 57.830 56.400 0.176 0.000 0.801 51 E CB 0.118 29.796 29.700 -0.037 0.000 0.743 51 E HN 0.128 nan 8.360 nan 0.000 0.453 52 V N 1.018 121.042 119.914 0.184 0.000 2.427 52 V HA -0.224 3.896 4.120 0.000 0.000 0.248 52 V C 2.412 178.540 176.094 0.057 0.000 1.051 52 V CA 1.547 63.941 62.300 0.157 0.000 1.048 52 V CB -0.672 31.211 31.823 0.099 0.000 0.666 52 V HN 0.442 nan 8.190 nan 0.000 0.456 53 A N 0.257 123.121 122.820 0.075 0.000 1.908 53 A HA -0.181 4.139 4.320 0.000 0.000 0.218 53 A C 2.439 179.950 177.584 -0.123 0.000 1.181 53 A CA 2.300 54.356 52.037 0.033 0.000 0.627 53 A CB -0.784 18.280 19.000 0.108 0.000 0.818 53 A HN 0.566 nan 8.150 nan 0.000 0.445 54 A N -1.244 121.523 122.820 -0.088 0.000 1.873 54 A HA 0.035 4.355 4.320 0.000 0.000 0.215 54 A C 1.954 179.400 177.584 -0.230 0.000 1.186 54 A CA 1.525 53.454 52.037 -0.179 0.000 0.616 54 A CB -0.775 18.103 19.000 -0.203 0.000 0.823 54 A HN 0.430 nan 8.150 nan 0.000 0.442 55 F N 0.342 120.184 119.950 -0.179 0.000 2.095 55 F HA -0.171 4.357 4.527 0.000 0.000 0.298 55 F C 2.828 178.431 175.800 -0.330 0.000 1.104 55 F CA 1.147 59.025 58.000 -0.202 0.000 1.232 55 F CB -0.680 38.221 39.000 -0.165 0.000 0.987 55 F HN 0.263 nan 8.300 nan 0.000 0.475 56 A N -0.235 122.401 122.820 -0.308 0.000 1.902 56 A HA -0.059 4.261 4.320 0.000 0.000 0.217 56 A C 2.422 179.472 177.584 -0.890 0.000 1.181 56 A CA 1.766 53.350 52.037 -0.756 0.000 0.623 56 A CB -1.362 16.800 19.000 -1.397 0.000 0.818 56 A HN 0.315 nan 8.150 nan 0.000 0.443 57 A N -0.402 121.894 122.820 -0.873 0.000 1.908 57 A HA 0.076 4.396 4.320 0.000 0.000 0.218 57 A C 2.433 179.875 177.584 -0.237 0.000 1.181 57 A CA 2.032 53.766 52.037 -0.504 0.000 0.627 57 A CB -1.462 17.392 19.000 -0.245 0.000 0.818 57 A HN 0.773 nan 8.150 nan 0.000 0.445 58 G N -0.585 108.095 108.800 -0.199 0.000 2.440 58 G HA2 -0.024 3.937 3.960 0.000 0.000 0.218 58 G HA3 -0.024 3.937 3.960 0.000 0.000 0.218 58 G C 1.722 176.573 174.900 -0.083 0.000 1.154 58 G CA 1.512 46.547 45.100 -0.109 0.000 0.767 58 G HN 0.827 nan 8.290 nan 0.000 0.552 59 A N 0.678 123.427 122.820 -0.117 0.000 1.898 59 A HA -0.000 4.320 4.320 0.000 0.000 0.216 59 A C 2.151 179.699 177.584 -0.060 0.000 1.181 59 A CA 1.975 53.961 52.037 -0.086 0.000 0.620 59 A CB -0.448 18.483 19.000 -0.115 0.000 0.819 59 A HN 0.504 nan 8.150 nan 0.000 0.442 60 E N 0.046 120.196 120.200 -0.083 0.000 2.051 60 E HA -0.140 4.210 4.350 0.000 0.000 0.192 60 E C 2.084 178.692 176.600 0.012 0.000 0.991 60 E CA 1.187 57.589 56.400 0.004 0.000 0.799 60 E CB -0.289 29.466 29.700 0.092 0.000 0.748 60 E HN 0.508 nan 8.360 nan 0.000 0.449 61 A N 0.646 123.464 122.820 -0.004 0.000 1.930 61 A HA -0.241 4.079 4.320 0.000 0.000 0.217 61 A C 2.138 179.736 177.584 0.025 0.000 1.175 61 A CA 1.706 53.750 52.037 0.011 0.000 0.627 61 A CB -0.659 18.343 19.000 0.003 0.000 0.815 61 A HN 0.356 nan 8.150 nan 0.000 0.443 62 Q N -0.115 119.697 119.800 0.021 0.000 2.061 62 Q HA -0.114 4.226 4.340 0.000 0.000 0.204 62 Q C 1.819 177.851 176.000 0.053 0.000 0.984 62 Q CA 1.956 57.786 55.803 0.046 0.000 0.846 62 Q CB -0.411 28.351 28.738 0.039 0.000 0.902 62 Q HN 0.653 nan 8.270 nan 0.000 0.421 63 L N -0.408 120.835 121.223 0.034 0.000 2.095 63 L HA -0.058 4.282 4.340 0.000 0.000 0.204 63 L C 2.454 179.343 176.870 0.032 0.000 1.080 63 L CA 1.223 56.082 54.840 0.033 0.000 0.759 63 L CB -0.396 41.673 42.059 0.017 0.000 0.914 63 L HN 0.321 nan 8.230 nan 0.000 0.439 64 S N -0.841 114.875 115.700 0.027 0.000 2.470 64 S HA 0.073 4.543 4.470 0.000 0.000 0.225 64 S C 1.674 176.285 174.600 0.019 0.000 1.006 64 S CA 0.479 58.690 58.200 0.019 0.000 0.934 64 S CB 0.151 63.359 63.200 0.013 0.000 0.778 64 S HN 0.496 nan 8.310 nan 0.000 0.517 65 G N 0.480 109.298 108.800 0.031 0.000 2.155 65 G HA2 -0.243 3.717 3.960 0.000 0.000 0.257 65 G HA3 -0.243 3.717 3.960 0.000 0.000 0.257 65 G C -0.193 174.720 174.900 0.022 0.000 0.983 65 G CA 0.510 45.633 45.100 0.038 0.000 0.676 65 G HN 0.631 nan 8.290 nan 0.000 0.528 66 E N -1.390 118.813 120.200 0.006 0.000 2.359 66 E HA 0.625 4.975 4.350 0.000 0.000 0.266 66 E C -0.116 176.476 176.600 -0.014 0.000 0.920 66 E CA -1.295 55.094 56.400 -0.019 0.000 0.788 66 E CB 1.721 31.389 29.700 -0.053 0.000 1.279 66 E HN 0.184 nan 8.360 nan 0.000 0.438 67 L N 1.989 123.191 121.223 -0.036 0.000 2.601 67 L HA 0.198 4.538 4.340 0.000 0.000 0.277 67 L C -0.711 176.139 176.870 -0.034 0.000 1.219 67 L CA 0.794 55.607 54.840 -0.046 0.000 0.915 67 L CB -0.101 41.890 42.059 -0.114 0.000 1.160 67 L HN 0.582 nan 8.230 nan 0.000 0.494 68 A N 4.839 127.653 122.820 -0.011 0.000 2.350 68 A HA 0.875 5.195 4.320 0.000 0.000 0.318 68 A C -1.169 176.424 177.584 0.015 0.000 1.132 68 A CA -0.597 51.455 52.037 0.024 0.000 0.811 68 A CB 1.699 20.723 19.000 0.040 0.000 1.313 68 A HN 0.548 nan 8.150 nan 0.000 0.454 69 V N 0.003 119.957 119.914 0.065 0.000 2.760 69 V HA 0.557 4.677 4.120 0.000 0.000 0.309 69 V C -0.155 175.993 176.094 0.091 0.000 1.077 69 V CA -0.557 61.765 62.300 0.037 0.000 0.910 69 V CB 1.138 32.966 31.823 0.008 0.000 1.008 69 V HN 1.458 nan 8.190 nan 0.000 0.424 70 C N 2.002 121.320 119.300 0.031 0.000 3.044 70 C HA 1.077 5.537 4.460 0.000 0.000 0.315 70 C C -0.079 174.922 174.990 0.017 0.000 1.320 70 C CA -0.551 58.487 59.018 0.033 0.000 1.582 70 C CB 1.191 28.935 27.740 0.006 0.000 2.039 70 C HN 1.482 nan 8.230 nan 0.000 0.466 71 A N 0.134 122.979 122.820 0.043 0.000 2.572 71 A HA 0.998 5.318 4.320 0.000 0.000 0.295 71 A C -0.490 177.185 177.584 0.152 0.000 1.072 71 A CA 0.265 52.373 52.037 0.119 0.000 0.691 71 A CB 1.341 20.502 19.000 0.267 0.000 1.291 71 A HN 2.436 nan 8.150 nan 0.000 0.404 72 G N 0.189 109.070 108.800 0.135 0.000 2.659 72 G HA2 0.647 4.607 3.960 0.000 0.000 0.296 72 G HA3 0.647 4.607 3.960 0.000 0.000 0.296 72 G C -0.065 174.910 174.900 0.125 0.000 1.369 72 G CA 0.242 45.427 45.100 0.142 0.000 0.937 72 G HN 1.565 nan 8.290 nan 0.000 0.485 73 S N -0.995 114.771 115.700 0.110 0.000 2.633 73 S HA 0.410 4.880 4.470 0.000 0.000 0.257 73 S C 1.182 175.818 174.600 0.061 0.000 1.265 73 S CA -0.021 58.226 58.200 0.078 0.000 0.980 73 S CB 0.152 63.386 63.200 0.057 0.000 1.017 73 S HN 1.572 nan 8.310 nan 0.000 0.577 74 C N -0.117 119.214 119.300 0.052 0.000 2.700 74 C HA 0.718 5.179 4.460 0.000 0.000 0.397 74 C C 1.857 176.847 174.990 0.001 0.000 1.301 74 C CA 0.001 59.058 59.018 0.065 0.000 2.219 74 C CB -0.976 26.807 27.740 0.072 0.000 2.699 74 C HN 1.818 nan 8.230 nan 0.000 0.669 75 G N 3.437 112.252 108.800 0.025 0.000 2.602 75 G HA2 -0.246 3.714 3.960 0.000 0.000 0.310 75 G HA3 -0.246 3.714 3.960 0.000 0.000 0.310 75 G C -1.149 173.706 174.900 -0.075 0.000 1.183 75 G CA 0.596 45.669 45.100 -0.045 0.000 0.979 75 G HN 0.607 nan 8.290 nan 0.000 0.545 76 P HA -0.014 nan 4.420 nan 0.000 0.218 76 P C 2.018 179.143 177.300 -0.293 0.000 1.148 76 P CA 2.593 65.538 63.100 -0.258 0.000 0.822 76 P CB -0.723 30.793 31.700 -0.306 0.000 0.784 77 G N 1.283 109.995 108.800 -0.148 0.000 2.511 77 G HA2 -0.312 3.648 3.960 0.000 0.000 0.216 77 G HA3 -0.312 3.648 3.960 0.000 0.000 0.216 77 G C 1.392 176.322 174.900 0.050 0.000 1.218 77 G CA 1.387 46.458 45.100 -0.049 0.000 0.788 77 G HN 0.437 nan 8.290 nan 0.000 0.560 78 N N 0.221 118.975 118.700 0.090 0.000 2.270 78 N HA 0.003 4.743 4.740 0.000 0.000 0.181 78 N C 1.967 177.657 175.510 0.300 0.000 1.016 78 N CA 1.128 54.283 53.050 0.175 0.000 0.870 78 N CB -0.440 38.151 38.487 0.173 0.000 0.979 78 N HN 0.269 nan 8.380 nan 0.000 0.431 79 L N 0.842 122.176 121.223 0.186 0.000 2.079 79 L HA -0.131 4.209 4.340 0.000 0.000 0.210 79 L C 1.848 178.874 176.870 0.259 0.000 1.081 79 L CA 1.808 56.744 54.840 0.159 0.000 0.752 79 L CB -1.113 40.953 42.059 0.011 0.000 0.896 79 L HN 0.361 nan 8.230 nan 0.000 0.433 80 H N -1.356 117.800 119.070 0.143 0.000 2.489 80 H HA -0.132 4.424 4.556 0.000 0.000 0.295 80 H C 2.076 177.535 175.328 0.218 0.000 1.082 80 H CA 0.963 57.124 56.048 0.189 0.000 1.295 80 H CB 0.035 29.836 29.762 0.065 0.000 1.380 80 H HN 0.361 nan 8.280 nan 0.000 0.548 81 L N 0.057 121.463 121.223 0.306 0.000 2.291 81 L HA -0.123 4.218 4.340 0.000 0.000 0.214 81 L C 2.391 179.360 176.870 0.164 0.000 1.120 81 L CA 0.364 55.308 54.840 0.173 0.000 0.799 81 L CB -0.125 41.976 42.059 0.071 0.000 0.925 81 L HN 0.345 nan 8.230 nan 0.000 0.446 82 I N 0.601 121.360 120.570 0.315 0.000 2.163 82 I HA -0.369 3.801 4.170 0.000 0.000 0.243 82 I C 2.325 178.590 176.117 0.246 0.000 1.085 82 I CA 1.709 63.236 61.300 0.378 0.000 1.347 82 I CB 0.039 38.227 38.000 0.314 0.000 1.044 82 I HN 0.375 nan 8.210 nan 0.000 0.408 83 N N 0.683 119.464 118.700 0.134 0.000 2.188 83 N HA -0.119 4.622 4.740 0.000 0.000 0.184 83 N C 1.799 177.180 175.510 -0.214 0.000 1.018 83 N CA 1.637 54.729 53.050 0.070 0.000 0.858 83 N CB -0.421 38.121 38.487 0.091 0.000 0.989 83 N HN 0.405 nan 8.380 nan 0.000 0.426 84 G N 0.208 108.741 108.800 -0.445 0.000 2.422 84 G HA2 -0.121 3.840 3.960 0.000 0.000 0.218 84 G HA3 -0.121 3.840 3.960 0.000 0.000 0.218 84 G C 1.496 176.092 174.900 -0.507 0.000 1.140 84 G CA 0.453 44.991 45.100 -0.937 0.000 0.775 84 G HN 0.310 nan 8.290 nan 0.000 0.545 85 L N -0.891 120.175 121.223 -0.261 0.000 2.093 85 L HA 0.063 4.403 4.340 0.000 0.000 0.208 85 L C 2.605 179.322 176.870 -0.255 0.000 1.085 85 L CA 0.547 55.248 54.840 -0.231 0.000 0.755 85 L CB -0.391 41.546 42.059 -0.203 0.000 0.904 85 L HN 0.115 nan 8.230 nan 0.000 0.435 86 F N 0.774 120.520 119.950 -0.341 0.000 2.126 86 F HA -0.287 4.240 4.527 0.000 0.000 0.299 86 F C 2.330 177.829 175.800 -0.501 0.000 1.096 86 F CA 2.053 59.752 58.000 -0.502 0.000 1.255 86 F CB -0.298 38.105 39.000 -0.996 0.000 0.997 86 F HN 0.171 nan 8.300 nan 0.000 0.479 87 D N -0.722 119.498 120.400 -0.299 0.000 2.097 87 D HA -0.188 4.452 4.640 0.000 0.000 0.195 87 D C 2.254 178.498 176.300 -0.094 0.000 0.989 87 D CA 1.656 55.596 54.000 -0.100 0.000 0.827 87 D CB -0.306 40.477 40.800 -0.029 0.000 0.966 87 D HN 0.241 nan 8.370 nan 0.000 0.456 88 C N -0.422 118.790 119.300 -0.147 0.000 2.413 88 C HA -0.123 4.337 4.460 0.000 0.000 0.276 88 C C 2.546 177.491 174.990 -0.074 0.000 1.236 88 C CA 1.143 60.099 59.018 -0.104 0.000 1.735 88 C CB -1.466 26.199 27.740 -0.125 0.000 2.031 88 C HN 0.514 nan 8.230 nan 0.000 0.474 89 H N 0.694 119.643 119.070 -0.201 0.000 2.357 89 H HA -0.019 4.537 4.556 0.000 0.000 0.301 89 H C 2.432 177.682 175.328 -0.129 0.000 1.082 89 H CA 1.485 57.418 56.048 -0.192 0.000 1.342 89 H CB -0.096 29.488 29.762 -0.297 0.000 1.389 89 H HN 0.178 nan 8.280 nan 0.000 0.511 90 R N 0.249 120.677 120.500 -0.120 0.000 2.148 90 R HA -0.019 4.322 4.340 0.000 0.000 0.227 90 R C 1.102 177.151 176.300 -0.419 0.000 1.103 90 R CA 0.776 56.776 56.100 -0.168 0.000 0.983 90 R CB -0.272 30.045 30.300 0.028 0.000 0.874 90 R HN 0.438 nan 8.270 nan 0.000 0.451 91 N N 0.534 119.053 118.700 -0.302 0.000 2.461 91 N HA -0.051 4.689 4.740 0.000 0.000 0.188 91 N C -0.533 174.788 175.510 -0.315 0.000 1.134 91 N CA 0.238 53.105 53.050 -0.306 0.000 0.878 91 N CB -0.221 38.209 38.487 -0.094 0.000 0.972 91 N HN 0.404 nan 8.380 nan 0.000 0.456 92 H N -2.102 116.942 119.070 -0.043 0.000 2.756 92 H HA -0.111 4.445 4.556 0.000 0.000 0.315 92 H C -0.373 174.959 175.328 0.008 0.000 1.210 92 H CA 0.216 56.240 56.048 -0.040 0.000 1.150 92 H CB -2.171 27.589 29.762 -0.004 0.000 1.463 92 H HN 0.043 nan 8.280 nan 0.000 0.427 93 V N -2.151 117.804 119.914 0.069 0.000 2.715 93 V HA 0.637 4.757 4.120 0.000 0.000 0.310 93 V C -2.306 173.823 176.094 0.059 0.000 1.054 93 V CA -2.665 59.673 62.300 0.064 0.000 0.928 93 V CB 2.422 34.263 31.823 0.030 0.000 1.007 93 V HN -0.018 nan 8.190 nan 0.000 0.437 94 P HA 0.319 nan 4.420 nan 0.000 0.274 94 P C -0.760 176.555 177.300 0.025 0.000 1.291 94 P CA 0.088 63.229 63.100 0.069 0.000 0.815 94 P CB 1.098 32.839 31.700 0.068 0.000 0.897 95 V N 5.563 125.485 119.914 0.013 0.000 2.577 95 V HA 0.280 4.400 4.120 0.000 0.000 0.303 95 V C -0.071 176.001 176.094 -0.037 0.000 1.042 95 V CA -0.864 61.419 62.300 -0.027 0.000 0.872 95 V CB 2.290 34.077 31.823 -0.061 0.000 0.998 95 V HN 0.348 nan 8.190 nan 0.000 0.423 96 L N 4.760 125.956 121.223 -0.045 0.000 2.282 96 L HA 0.893 5.233 4.340 0.000 0.000 0.288 96 L C 0.252 177.079 176.870 -0.071 0.000 1.033 96 L CA 0.059 54.868 54.840 -0.053 0.000 0.807 96 L CB 1.250 43.276 42.059 -0.056 0.000 1.209 96 L HN 0.780 nan 8.230 nan 0.000 0.423 97 A N 6.538 129.291 122.820 -0.111 0.000 2.271 97 A HA 0.670 4.990 4.320 0.000 0.000 0.317 97 A C -0.546 176.971 177.584 -0.112 0.000 1.245 97 A CA -0.470 51.477 52.037 -0.150 0.000 0.857 97 A CB 0.214 19.030 19.000 -0.307 0.000 1.175 97 A HN 0.712 nan 8.150 nan 0.000 0.512 98 I N 2.756 123.296 120.570 -0.051 0.000 2.291 98 I HA 0.373 4.543 4.170 0.000 0.000 0.290 98 I C 0.685 176.797 176.117 -0.008 0.000 1.050 98 I CA -0.006 61.289 61.300 -0.009 0.000 1.245 98 I CB 1.509 39.535 38.000 0.044 0.000 1.405 98 I HN 0.678 nan 8.210 nan 0.000 0.478 99 A N 6.231 129.033 122.820 -0.030 0.000 2.366 99 A HA 0.741 5.061 4.320 0.000 0.000 0.322 99 A C 0.487 178.106 177.584 0.059 0.000 1.397 99 A CA -0.492 51.547 52.037 0.003 0.000 0.984 99 A CB 0.195 19.184 19.000 -0.019 0.000 1.149 99 A HN 0.774 nan 8.150 nan 0.000 0.540 100 A N 2.296 125.166 122.820 0.085 0.000 2.445 100 A HA 0.508 4.828 4.320 0.000 0.000 0.242 100 A C 0.124 177.806 177.584 0.163 0.000 1.075 100 A CA 0.264 52.365 52.037 0.107 0.000 0.777 100 A CB 0.004 19.056 19.000 0.088 0.000 1.013 100 A HN 1.028 nan 8.150 nan 0.000 0.493 101 H N 0.145 119.229 119.070 0.023 0.000 2.894 101 H HA 0.595 5.151 4.556 0.000 0.000 0.368 101 H C 0.120 175.453 175.328 0.008 0.000 1.181 101 H CA -0.772 55.281 56.048 0.009 0.000 1.146 101 H CB 0.976 30.738 29.762 0.000 0.000 1.839 101 H HN 0.734 nan 8.280 nan 0.000 0.557 102 I N 0.095 120.477 120.570 -0.314 0.000 3.246 102 I HA 0.333 4.503 4.170 0.000 0.000 0.280 102 I C -2.124 173.826 176.117 -0.279 0.000 1.239 102 I CA -1.957 59.209 61.300 -0.223 0.000 1.336 102 I CB 0.009 37.908 38.000 -0.169 0.000 1.383 102 I HN 0.354 nan 8.210 nan 0.000 0.617 103 P HA 0.018 nan 4.420 nan 0.000 0.268 103 P C 0.509 177.663 177.300 -0.243 0.000 1.204 103 P CA -0.008 62.979 63.100 -0.188 0.000 0.768 103 P CB 0.874 32.462 31.700 -0.187 0.000 0.842 104 S N 1.455 117.055 115.700 -0.168 0.000 2.419 104 S HA -0.174 4.296 4.470 0.000 0.000 0.233 104 S C 1.734 176.248 174.600 -0.144 0.000 1.016 104 S CA 1.481 59.594 58.200 -0.145 0.000 0.974 104 S CB -1.338 61.821 63.200 -0.069 0.000 0.786 104 S HN 0.516 nan 8.310 nan 0.000 0.492 105 S N 1.506 117.114 115.700 -0.154 0.000 2.447 105 S HA 0.008 4.478 4.470 0.000 0.000 0.233 105 S C 1.405 175.894 174.600 -0.185 0.000 1.006 105 S CA 0.677 58.793 58.200 -0.141 0.000 0.957 105 S CB -0.321 62.802 63.200 -0.128 0.000 0.773 105 S HN 0.501 nan 8.310 nan 0.000 0.507 106 E N 0.803 120.827 120.200 -0.294 0.000 2.472 106 E HA 0.356 4.706 4.350 0.000 0.000 0.196 106 E C 0.374 176.857 176.600 -0.196 0.000 1.033 106 E CA -0.276 55.906 56.400 -0.365 0.000 0.886 106 E CB -0.171 28.969 29.700 -0.933 0.000 0.944 106 E HN 0.604 nan 8.360 nan 0.000 0.492 107 I N 1.063 121.531 120.570 -0.170 0.000 2.775 107 I HA -0.031 4.139 4.170 0.000 0.000 0.290 107 I C 1.435 177.543 176.117 -0.015 0.000 1.203 107 I CA 1.295 62.532 61.300 -0.104 0.000 1.433 107 I CB 0.337 38.281 38.000 -0.094 0.000 1.354 107 I HN 0.288 nan 8.210 nan 0.000 0.579 108 G N 3.842 112.668 108.800 0.044 0.000 2.157 108 G HA2 -0.287 3.673 3.960 0.000 0.000 0.239 108 G HA3 -0.287 3.673 3.960 0.000 0.000 0.239 108 G C 0.678 175.625 174.900 0.079 0.000 0.982 108 G CA 0.437 45.593 45.100 0.093 0.000 0.650 108 G HN 0.770 nan 8.290 nan 0.000 0.527 109 S N -0.676 115.070 115.700 0.076 0.000 2.559 109 S HA 0.487 4.957 4.470 0.000 0.000 0.226 109 S C 1.703 176.372 174.600 0.115 0.000 1.000 109 S CA 1.061 59.311 58.200 0.084 0.000 0.948 109 S CB 0.749 63.992 63.200 0.072 0.000 0.870 109 S HN 2.274 nan 8.310 nan 0.000 0.497 110 G N 1.236 110.114 108.800 0.130 0.000 2.289 110 G HA2 -0.286 3.674 3.960 0.000 0.000 0.280 110 G HA3 -0.286 3.674 3.960 0.000 0.000 0.280 110 G C -0.312 174.686 174.900 0.164 0.000 1.089 110 G CA 0.057 45.233 45.100 0.126 0.000 0.939 110 G HN 0.625 nan 8.290 nan 0.000 0.499 111 Y N -0.259 120.063 120.300 0.038 0.000 2.299 111 Y HA 0.585 5.135 4.550 0.000 0.000 0.335 111 Y C 0.870 176.832 175.900 0.103 0.000 1.287 111 Y CA -1.557 56.579 58.100 0.061 0.000 1.424 111 Y CB 0.311 38.787 38.460 0.027 0.000 1.326 111 Y HN 0.417 nan 8.280 nan 0.000 0.567 112 F N 4.558 124.013 119.950 -0.824 0.000 2.579 112 F HA -0.060 4.467 4.527 -0.000 0.000 0.397 112 F C 0.873 176.523 175.800 -0.249 0.000 1.027 112 F CA 0.898 58.553 58.000 -0.575 0.000 1.217 112 F CB -0.051 38.475 39.000 -0.790 0.000 0.986 112 F HN 0.783 nan 8.300 nan 0.000 0.551 113 Q N 0.812 120.254 119.800 -0.597 0.000 2.362 113 Q HA -0.336 4.004 4.340 0.000 0.000 0.220 113 Q C 0.248 176.155 176.000 -0.155 0.000 0.713 113 Q CA 1.333 56.849 55.803 -0.478 0.000 1.345 113 Q CB -1.550 26.795 28.738 -0.655 0.000 1.570 113 Q HN 0.856 nan 8.270 nan 0.000 0.701 114 E N 1.606 121.783 120.200 -0.040 0.000 2.480 114 E HA 0.121 4.471 4.350 0.000 0.000 0.258 114 E C 0.225 176.851 176.600 0.044 0.000 0.984 114 E CA 1.120 57.542 56.400 0.037 0.000 0.930 114 E CB 0.561 30.312 29.700 0.085 0.000 0.936 114 E HN 0.279 nan 8.360 nan 0.000 0.466 115 T N 1.532 116.127 114.554 0.069 0.000 2.716 115 T HA 0.378 4.728 4.350 0.000 0.000 0.286 115 T C -0.849 173.859 174.700 0.013 0.000 1.052 115 T CA -0.940 61.211 62.100 0.086 0.000 1.024 115 T CB 1.001 69.887 68.868 0.029 0.000 1.349 115 T HN 0.483 nan 8.240 nan 0.000 0.525 116 H N 0.817 119.879 119.070 -0.014 0.000 2.418 116 H HA 0.405 4.962 4.556 0.001 0.000 0.238 116 H C -2.177 173.068 175.328 -0.138 0.000 1.403 116 H CA -1.833 54.177 56.048 -0.064 0.000 1.419 116 H CB 1.145 30.890 29.762 -0.029 0.000 1.463 116 H HN 0.395 nan 8.280 nan 0.000 0.515 117 P HA -0.217 nan 4.420 nan 0.000 0.218 117 P C 1.681 179.016 177.300 0.060 0.000 1.148 117 P CA 0.982 64.065 63.100 -0.029 0.000 0.822 117 P CB 0.437 32.182 31.700 0.074 0.000 0.784 118 Q N 0.222 120.012 119.800 -0.017 0.000 2.364 118 Q HA -0.155 4.185 4.340 0.000 0.000 0.207 118 Q C 1.286 177.285 176.000 -0.002 0.000 0.970 118 Q CA 1.608 57.411 55.803 -0.000 0.000 0.888 118 Q CB -0.778 27.940 28.738 -0.034 0.000 0.951 118 Q HN 0.369 nan 8.270 nan 0.000 0.469 119 E N 0.570 120.767 120.200 -0.005 0.000 2.162 119 E HA 0.121 4.471 4.350 0.000 0.000 0.193 119 E C 2.244 178.796 176.600 -0.079 0.000 0.953 119 E CA 0.216 56.596 56.400 -0.032 0.000 0.849 119 E CB 0.055 29.737 29.700 -0.031 0.000 0.810 119 E HN 0.165 nan 8.360 nan 0.000 0.470 120 L N 0.202 121.327 121.223 -0.164 0.000 2.043 120 L HA -0.180 4.160 4.340 0.000 0.000 0.212 120 L C 1.661 178.329 176.870 -0.337 0.000 1.075 120 L CA 1.199 55.848 54.840 -0.319 0.000 0.752 120 L CB -0.244 41.465 42.059 -0.582 0.000 0.891 120 L HN 0.127 nan 8.230 nan 0.000 0.432 121 F N -0.919 118.986 119.950 -0.074 0.000 2.773 121 F HA 0.073 4.600 4.527 0.000 0.000 0.304 121 F C 2.236 177.915 175.800 -0.203 0.000 1.129 121 F CA -0.039 57.874 58.000 -0.144 0.000 1.378 121 F CB -0.449 38.460 39.000 -0.153 0.000 1.095 121 F HN -0.156 nan 8.300 nan 0.000 0.565 122 R N 0.633 121.119 120.500 -0.024 0.000 2.083 122 R HA -0.213 4.127 4.340 0.000 0.000 0.237 122 R C 2.228 178.454 176.300 -0.122 0.000 1.137 122 R CA 1.869 57.929 56.100 -0.066 0.000 0.951 122 R CB -0.339 29.935 30.300 -0.043 0.000 0.851 122 R HN 0.338 nan 8.270 nan 0.000 0.434 123 E N -0.115 120.020 120.200 -0.108 0.000 2.150 123 E HA -0.152 4.199 4.350 0.000 0.000 0.193 123 E C 0.485 176.842 176.600 -0.405 0.000 0.985 123 E CA 1.238 57.569 56.400 -0.114 0.000 0.814 123 E CB 0.149 29.910 29.700 0.101 0.000 0.752 123 E HN 0.568 nan 8.360 nan 0.000 0.466 124 C N 0.847 119.714 119.300 -0.722 0.000 2.336 124 C HA 0.574 5.034 4.460 0.000 0.000 0.332 124 C C 0.270 174.635 174.990 -1.042 0.000 1.375 124 C CA -0.482 57.884 59.018 -1.087 0.000 1.785 124 C CB -1.708 25.074 27.740 -1.596 0.000 2.407 124 C HN 0.188 nan 8.230 nan 0.000 0.562 125 S N -1.186 113.878 115.700 -1.060 0.000 2.615 125 S HA 0.494 4.964 4.470 0.000 0.000 0.269 125 S C -0.182 174.055 174.600 -0.605 0.000 1.161 125 S CA -0.466 57.156 58.200 -0.965 0.000 0.817 125 S CB 0.400 63.352 63.200 -0.414 0.000 1.131 125 S HN 0.704 nan 8.310 nan 0.000 0.467 126 H N -0.329 118.693 119.070 -0.080 0.000 2.672 126 H HA 0.397 4.953 4.556 0.000 0.000 0.277 126 H C -0.869 174.547 175.328 0.147 0.000 1.074 126 H CA -0.325 55.775 56.048 0.086 0.000 1.173 126 H CB 0.306 30.187 29.762 0.199 0.000 1.558 126 H HN 0.621 nan 8.280 nan 0.000 0.539 127 Y N 0.751 121.147 120.300 0.161 0.000 2.436 127 Y HA 0.413 4.963 4.550 -0.000 0.000 0.327 127 Y C -1.952 173.963 175.900 0.023 0.000 1.138 127 Y CA -1.477 56.683 58.100 0.101 0.000 1.042 127 Y CB 1.980 40.520 38.460 0.133 0.000 1.302 127 Y HN 0.274 nan 8.280 nan 0.000 0.439 128 C N 7.069 126.038 119.300 -0.551 0.000 2.968 128 C HA 0.650 5.110 4.460 0.000 0.000 0.389 128 C C -1.975 172.776 174.990 -0.399 0.000 1.068 128 C CA -0.117 58.711 59.018 -0.318 0.000 1.272 128 C CB 0.129 27.786 27.740 -0.138 0.000 1.711 128 C HN 0.868 nan 8.230 nan 0.000 0.501 129 E N 3.218 123.237 120.200 -0.302 0.000 2.383 129 E HA 0.415 4.765 4.350 0.000 0.000 0.275 129 E C -1.457 175.112 176.600 -0.052 0.000 0.918 129 E CA -0.727 55.554 56.400 -0.197 0.000 0.764 129 E CB 2.335 31.894 29.700 -0.235 0.000 1.252 129 E HN 0.616 nan 8.360 nan 0.000 0.449 130 L N 1.573 122.781 121.223 -0.025 0.000 2.276 130 L HA 0.259 4.599 4.340 0.000 0.000 0.286 130 L C -0.854 176.041 176.870 0.042 0.000 1.061 130 L CA -0.472 54.375 54.840 0.012 0.000 0.807 130 L CB 1.186 43.258 42.059 0.021 0.000 1.177 130 L HN 0.279 nan 8.230 nan 0.000 0.429 131 V N 5.979 125.928 119.914 0.059 0.000 2.322 131 V HA 0.199 4.319 4.120 0.000 0.000 0.258 131 V C 1.040 177.168 176.094 0.056 0.000 1.074 131 V CA 0.164 62.501 62.300 0.062 0.000 0.909 131 V CB 0.179 32.044 31.823 0.069 0.000 1.090 131 V HN 1.031 nan 8.190 nan 0.000 0.486 132 S N 2.333 118.060 115.700 0.045 0.000 2.458 132 S HA 0.022 4.492 4.470 0.000 0.000 0.223 132 S C 0.951 175.564 174.600 0.022 0.000 1.019 132 S CA 0.547 58.768 58.200 0.035 0.000 0.937 132 S CB 0.263 63.481 63.200 0.030 0.000 0.788 132 S HN 0.686 nan 8.310 nan 0.000 0.511 133 S N 0.598 116.310 115.700 0.021 0.000 2.521 133 S HA 0.454 4.924 4.470 0.000 0.000 0.295 133 S C -2.515 172.088 174.600 0.004 0.000 1.098 133 S CA -1.794 56.412 58.200 0.009 0.000 0.999 133 S CB 1.557 64.761 63.200 0.008 0.000 1.034 133 S HN -0.170 nan 8.310 nan 0.000 0.483 134 P HA -0.097 nan 4.420 nan 0.000 0.217 134 P C 1.001 178.274 177.300 -0.044 0.000 1.148 134 P CA 0.998 64.084 63.100 -0.023 0.000 0.828 134 P CB 0.155 31.838 31.700 -0.028 0.000 0.783 135 E N -0.317 119.864 120.200 -0.032 0.000 2.265 135 E HA -0.178 4.173 4.350 0.000 0.000 0.196 135 E C 1.916 178.500 176.600 -0.026 0.000 0.996 135 E CA 0.939 57.317 56.400 -0.037 0.000 0.832 135 E CB -0.391 29.297 29.700 -0.021 0.000 0.756 135 E HN 0.515 nan 8.360 nan 0.000 0.491 136 Q N -0.024 119.774 119.800 -0.004 0.000 2.172 136 Q HA -0.077 4.263 4.340 0.000 0.000 0.200 136 Q C 2.153 178.169 176.000 0.027 0.000 0.964 136 Q CA 0.411 56.227 55.803 0.023 0.000 0.855 136 Q CB -0.092 28.673 28.738 0.045 0.000 0.918 136 Q HN 0.152 nan 8.270 nan 0.000 0.444 137 I N 1.337 121.904 120.570 -0.004 0.000 2.264 137 I HA -0.171 3.999 4.170 0.000 0.000 0.248 137 I C -1.191 174.965 176.117 0.064 0.000 1.111 137 I CA 1.189 62.508 61.300 0.032 0.000 1.382 137 I CB -0.605 37.408 38.000 0.022 0.000 1.060 137 I HN 0.074 nan 8.210 nan 0.000 0.418 138 P HA -0.143 nan 4.420 nan 0.000 0.217 138 P C 1.483 178.859 177.300 0.127 0.000 1.150 138 P CA 1.417 64.565 63.100 0.080 0.000 0.832 138 P CB 0.011 31.701 31.700 -0.018 0.000 0.787 139 Q N -0.832 119.015 119.800 0.079 0.000 2.049 139 Q HA -0.061 4.279 4.340 0.000 0.000 0.198 139 Q C 2.198 178.245 176.000 0.078 0.000 0.971 139 Q CA 1.113 56.962 55.803 0.076 0.000 0.833 139 Q CB -1.469 27.307 28.738 0.064 0.000 0.896 139 Q HN 0.035 nan 8.270 nan 0.000 0.434 140 V N 0.559 120.542 119.914 0.114 0.000 2.295 140 V HA -0.224 3.896 4.120 0.000 0.000 0.246 140 V C 2.048 178.187 176.094 0.076 0.000 1.049 140 V CA 1.554 63.953 62.300 0.164 0.000 1.024 140 V CB -0.521 31.433 31.823 0.218 0.000 0.648 140 V HN 0.301 nan 8.190 nan 0.000 0.447 141 L N 0.569 121.861 121.223 0.114 0.000 2.093 141 L HA -0.032 4.308 4.340 0.000 0.000 0.208 141 L C 2.422 179.329 176.870 0.061 0.000 1.085 141 L CA 2.232 57.126 54.840 0.091 0.000 0.755 141 L CB -0.889 41.269 42.059 0.165 0.000 0.904 141 L HN 0.225 nan 8.230 nan 0.000 0.435 142 A N -0.271 122.624 122.820 0.125 0.000 1.877 142 A HA -0.179 4.141 4.320 0.000 0.000 0.216 142 A C 2.245 179.880 177.584 0.085 0.000 1.186 142 A CA 2.155 54.314 52.037 0.203 0.000 0.620 142 A CB -0.824 18.288 19.000 0.187 0.000 0.822 142 A HN 0.491 nan 8.150 nan 0.000 0.443 143 I N -0.353 120.156 120.570 -0.101 0.000 2.202 143 I HA -0.221 3.949 4.170 0.000 0.000 0.242 143 I C 2.995 178.845 176.117 -0.444 0.000 1.091 143 I CA 0.908 62.035 61.300 -0.287 0.000 1.368 143 I CB -0.431 37.296 38.000 -0.455 0.000 1.058 143 I HN 0.340 nan 8.210 nan 0.000 0.410 144 A N 0.923 123.391 122.820 -0.586 0.000 1.873 144 A HA -0.278 4.042 4.320 0.000 0.000 0.218 144 A C 2.363 179.889 177.584 -0.098 0.000 1.193 144 A CA 2.148 53.983 52.037 -0.338 0.000 0.629 144 A CB -0.707 18.242 19.000 -0.085 0.000 0.826 144 A HN 0.364 nan 8.150 nan 0.000 0.447 145 M N -2.211 117.343 119.600 -0.076 0.000 2.156 145 M HA -0.079 4.402 4.480 0.000 0.000 0.264 145 M C 2.402 178.757 176.300 0.091 0.000 1.067 145 M CA 1.718 56.958 55.300 -0.100 0.000 1.131 145 M CB -0.182 32.166 32.600 -0.420 0.000 1.368 145 M HN 0.374 nan 8.290 nan 0.000 0.416 146 R N 0.641 121.284 120.500 0.239 0.000 2.081 146 R HA -0.091 4.249 4.340 0.000 0.000 0.235 146 R C 1.985 178.339 176.300 0.090 0.000 1.131 146 R CA 1.591 57.848 56.100 0.262 0.000 0.960 146 R CB -0.012 30.393 30.300 0.175 0.000 0.856 146 R HN 0.206 nan 8.270 nan 0.000 0.436 147 K N -0.638 119.757 120.400 -0.009 0.000 2.057 147 K HA -0.050 4.271 4.320 0.000 0.000 0.206 147 K C 2.039 178.634 176.600 -0.009 0.000 1.050 147 K CA 1.284 57.500 56.287 -0.118 0.000 0.935 147 K CB -0.150 32.234 32.500 -0.192 0.000 0.715 147 K HN 0.216 nan 8.250 nan 0.000 0.439 148 A N 0.845 123.767 122.820 0.171 0.000 1.883 148 A HA -0.162 4.158 4.320 0.000 0.000 0.217 148 A C 2.338 180.029 177.584 0.179 0.000 1.186 148 A CA 1.732 53.933 52.037 0.273 0.000 0.624 148 A CB -0.707 18.379 19.000 0.143 0.000 0.822 148 A HN 0.089 nan 8.150 nan 0.000 0.444 149 V N -0.476 119.519 119.914 0.135 0.000 2.283 149 V HA -0.157 3.963 4.120 0.000 0.000 0.243 149 V C 2.513 178.684 176.094 0.127 0.000 1.039 149 V CA 1.845 64.232 62.300 0.144 0.000 1.016 149 V CB -0.600 31.352 31.823 0.215 0.000 0.650 149 V HN 0.535 nan 8.190 nan 0.000 0.449 150 L N -0.294 120.987 121.223 0.096 0.000 2.162 150 L HA 0.003 4.344 4.340 0.000 0.000 0.205 150 L C 1.942 178.821 176.870 0.016 0.000 1.086 150 L CA 1.360 56.232 54.840 0.052 0.000 0.778 150 L CB -0.437 41.640 42.059 0.029 0.000 0.928 150 L HN 0.378 nan 8.230 nan 0.000 0.446 151 N N -0.066 118.617 118.700 -0.028 0.000 2.412 151 N HA 0.051 4.791 4.740 0.000 0.000 0.184 151 N C -0.406 175.173 175.510 0.114 0.000 1.101 151 N CA -0.159 52.861 53.050 -0.051 0.000 0.881 151 N CB 0.252 38.546 38.487 -0.322 0.000 0.969 151 N HN 0.047 nan 8.380 nan 0.000 0.459 152 R N -0.062 120.540 120.500 0.170 0.000 2.983 152 R HA -0.145 4.195 4.340 0.000 0.000 0.272 152 R C -0.364 176.087 176.300 0.252 0.000 0.926 152 R CA 0.264 56.476 56.100 0.187 0.000 0.667 152 R CB -1.543 28.827 30.300 0.117 0.000 1.540 152 R HN 0.465 nan 8.270 nan 0.000 0.467 153 G N -0.936 108.044 108.800 0.301 0.000 2.341 153 G HA2 0.423 4.383 3.960 0.000 0.000 0.299 153 G HA3 0.423 4.383 3.960 0.000 0.000 0.299 153 G C -1.215 173.717 174.900 0.053 0.000 1.274 153 G CA -0.507 44.669 45.100 0.127 0.000 0.853 153 G HN 0.160 nan 8.290 nan 0.000 0.493 154 V N 0.823 120.713 119.914 -0.040 0.000 2.509 154 V HA 0.654 4.774 4.120 0.000 0.000 0.284 154 V C 0.155 176.133 176.094 -0.193 0.000 1.047 154 V CA -0.276 61.940 62.300 -0.140 0.000 0.952 154 V CB 1.324 33.007 31.823 -0.234 0.000 0.988 154 V HN 0.698 nan 8.190 nan 0.000 0.469 155 S N 3.062 118.748 115.700 -0.024 0.000 2.513 155 S HA 0.728 5.198 4.470 0.000 0.000 0.299 155 S C -0.658 173.940 174.600 -0.004 0.000 1.087 155 S CA -0.549 57.704 58.200 0.089 0.000 1.012 155 S CB 1.975 65.289 63.200 0.190 0.000 1.044 155 S HN 0.441 nan 8.310 nan 0.000 0.485 156 V N 2.956 122.876 119.914 0.009 0.000 2.540 156 V HA 0.535 4.655 4.120 0.000 0.000 0.302 156 V C -0.656 175.448 176.094 0.017 0.000 1.035 156 V CA -0.654 61.593 62.300 -0.088 0.000 0.873 156 V CB 1.804 33.490 31.823 -0.229 0.000 0.992 156 V HN 0.663 nan 8.190 nan 0.000 0.428 157 V N 5.440 125.359 119.914 0.008 0.000 2.409 157 V HA 0.443 4.563 4.120 0.000 0.000 0.291 157 V C -0.236 175.868 176.094 0.016 0.000 1.020 157 V CA -0.569 61.765 62.300 0.056 0.000 0.848 157 V CB 1.975 33.849 31.823 0.085 0.000 0.990 157 V HN 0.626 nan 8.190 nan 0.000 0.430 158 V N 6.550 126.473 119.914 0.016 0.000 2.370 158 V HA 0.483 4.604 4.120 0.000 0.000 0.279 158 V C -0.397 175.728 176.094 0.050 0.000 1.029 158 V CA -0.496 61.806 62.300 0.003 0.000 0.870 158 V CB 1.492 33.276 31.823 -0.064 0.000 0.984 158 V HN 0.625 nan 8.190 nan 0.000 0.451 159 L N 8.979 130.251 121.223 0.083 0.000 2.427 159 L HA 0.638 4.979 4.340 0.000 0.000 0.264 159 L C -2.643 174.301 176.870 0.123 0.000 0.989 159 L CA -1.815 53.082 54.840 0.095 0.000 0.865 159 L CB 1.923 44.028 42.059 0.076 0.000 1.209 159 L HN 0.370 nan 8.230 nan 0.000 0.430 160 P HA 0.156 nan 4.420 nan 0.000 0.266 160 P C 0.849 178.171 177.300 0.037 0.000 1.195 160 P CA 0.184 63.328 63.100 0.073 0.000 0.768 160 P CB 0.855 32.562 31.700 0.013 0.000 0.838 161 G N 3.144 111.957 108.800 0.021 0.000 2.442 161 G HA2 -0.269 3.691 3.960 0.000 0.000 0.219 161 G HA3 -0.269 3.691 3.960 0.000 0.000 0.219 161 G C 1.052 175.954 174.900 0.004 0.000 1.141 161 G CA 0.808 45.918 45.100 0.017 0.000 0.763 161 G HN 0.582 nan 8.290 nan 0.000 0.554 162 D N 0.746 121.140 120.400 -0.012 0.000 2.123 162 D HA -0.091 4.549 4.640 0.000 0.000 0.200 162 D C 2.491 178.788 176.300 -0.005 0.000 0.976 162 D CA 1.013 55.004 54.000 -0.015 0.000 0.831 162 D CB -0.855 39.925 40.800 -0.034 0.000 0.974 162 D HN 0.251 nan 8.370 nan 0.000 0.469 163 V N 1.678 121.592 119.914 0.001 0.000 2.407 163 V HA -0.180 3.940 4.120 0.000 0.000 0.248 163 V C 2.930 179.035 176.094 0.019 0.000 1.055 163 V CA 1.663 63.969 62.300 0.010 0.000 1.049 163 V CB -0.975 30.860 31.823 0.020 0.000 0.662 163 V HN 0.365 nan 8.190 nan 0.000 0.455 164 A N -0.368 122.467 122.820 0.025 0.000 1.978 164 A HA -0.151 4.169 4.320 0.000 0.000 0.220 164 A C 2.097 179.695 177.584 0.024 0.000 1.170 164 A CA 1.701 53.757 52.037 0.032 0.000 0.636 164 A CB -0.460 18.559 19.000 0.031 0.000 0.810 164 A HN 0.547 nan 8.150 nan 0.000 0.448 165 L N -1.276 119.955 121.223 0.013 0.000 2.592 165 L HA 0.092 4.432 4.340 0.000 0.000 0.227 165 L C 0.656 177.531 176.870 0.007 0.000 1.127 165 L CA 0.001 54.846 54.840 0.008 0.000 0.884 165 L CB -0.050 42.009 42.059 0.001 0.000 1.065 165 L HN 0.208 nan 8.230 nan 0.000 0.457 166 K N 0.557 120.961 120.400 0.007 0.000 2.107 166 K HA 0.259 4.579 4.320 0.000 0.000 0.251 166 K C -2.304 174.299 176.600 0.005 0.000 1.012 166 K CA -1.849 54.440 56.287 0.003 0.000 0.920 166 K CB 0.362 32.861 32.500 -0.002 0.000 1.033 166 K HN -0.253 nan 8.250 nan 0.000 0.478 167 P HA -0.002 nan 4.420 nan 0.000 0.271 167 P C -1.057 176.235 177.300 -0.014 0.000 1.220 167 P CA -0.013 63.087 63.100 0.000 0.000 0.768 167 P CB 0.788 32.486 31.700 -0.003 0.000 0.848 168 A N 6.236 129.048 122.820 -0.014 0.000 2.448 168 A HA 0.344 4.664 4.320 0.000 0.000 0.239 168 A C -1.994 175.534 177.584 -0.092 0.000 1.080 168 A CA -0.992 50.999 52.037 -0.077 0.000 0.779 168 A CB -1.370 17.589 19.000 -0.068 0.000 1.026 168 A HN 0.414 nan 8.150 nan 0.000 0.499 169 P HA 0.085 nan 4.420 nan 0.000 0.265 169 P C 0.307 177.563 177.300 -0.073 0.000 1.193 169 P CA 0.132 63.170 63.100 -0.105 0.000 0.765 169 P CB 0.449 32.069 31.700 -0.133 0.000 0.823 170 E N 2.057 122.238 120.200 -0.032 0.000 2.150 170 E HA -0.098 4.252 4.350 0.000 0.000 0.193 170 E C 1.910 178.516 176.600 0.010 0.000 0.985 170 E CA 1.198 57.596 56.400 -0.004 0.000 0.814 170 E CB -0.300 29.402 29.700 0.002 0.000 0.752 170 E HN 0.637 nan 8.360 nan 0.000 0.466 171 G N 0.936 109.736 108.800 0.001 0.000 2.985 171 G HA2 0.194 4.154 3.960 0.000 0.000 0.209 171 G HA3 0.194 4.154 3.960 0.000 0.000 0.209 171 G C 0.533 175.455 174.900 0.036 0.000 1.165 171 G CA 0.241 45.352 45.100 0.018 0.000 0.776 171 G HN 0.234 nan 8.290 nan 0.000 0.541 172 A N 0.704 123.534 122.820 0.016 0.000 2.483 172 A HA 0.506 4.826 4.320 0.000 0.000 0.238 172 A C 0.860 178.574 177.584 0.215 0.000 1.070 172 A CA 0.745 52.813 52.037 0.052 0.000 0.770 172 A CB 0.091 18.981 19.000 -0.184 0.000 1.008 172 A HN 0.557 nan 8.150 nan 0.000 0.497 173 T N 0.212 114.929 114.554 0.272 0.000 2.895 173 T HA 0.584 4.934 4.350 0.000 0.000 0.283 173 T C 0.453 175.339 174.700 0.309 0.000 1.014 173 T CA -0.558 61.700 62.100 0.262 0.000 1.037 173 T CB 0.943 69.920 68.868 0.181 0.000 1.006 173 T HN 0.469 nan 8.240 nan 0.000 0.468 174 M N 0.845 120.561 119.600 0.193 0.000 2.367 174 M HA 0.250 4.730 4.480 0.000 0.000 0.256 174 M C 0.450 176.818 176.300 0.113 0.000 1.091 174 M CA -0.280 55.034 55.300 0.023 0.000 1.049 174 M CB -0.130 32.425 32.600 -0.074 0.000 1.406 174 M HN 0.761 nan 8.290 nan 0.000 0.498 175 H N 0.831 119.964 119.070 0.106 0.000 2.848 175 H HA -0.012 4.544 4.556 -0.000 0.000 0.341 175 H C -1.332 174.136 175.328 0.233 0.000 1.060 175 H CA 0.545 56.676 56.048 0.139 0.000 1.444 175 H CB 0.586 30.412 29.762 0.107 0.000 1.446 175 H HN 0.328 nan 8.280 nan 0.000 0.583 176 W N 7.703 128.679 121.300 -0.541 0.000 2.417 176 W HA 0.206 4.866 4.660 -0.001 0.000 0.315 176 W C -1.618 174.728 176.519 -0.288 0.000 1.045 176 W CA -1.105 56.072 57.345 -0.280 0.000 1.221 176 W CB 0.736 30.069 29.460 -0.211 0.000 1.309 176 W HN 0.603 nan 8.180 nan 0.000 0.453 177 Y N 6.412 126.302 120.300 -0.683 0.000 2.365 177 Y HA 0.115 4.665 4.550 -0.000 0.000 0.340 177 Y C 0.388 175.896 175.900 -0.653 0.000 1.016 177 Y CA -0.030 57.785 58.100 -0.474 0.000 1.196 177 Y CB 0.240 38.516 38.460 -0.306 0.000 1.167 177 Y HN 0.370 nan 8.280 nan 0.000 0.509 178 H N 6.079 124.628 119.070 -0.868 0.000 2.864 178 H HA 0.477 5.033 4.556 0.000 0.000 0.281 178 H C -1.043 174.073 175.328 -0.353 0.000 1.093 178 H CA -0.309 55.499 56.048 -0.399 0.000 1.453 178 H CB 0.471 30.146 29.762 -0.145 0.000 1.462 178 H HN 0.880 nan 8.280 nan 0.000 0.480 179 A N 7.727 130.272 122.820 -0.459 0.000 2.252 179 A HA 0.387 4.707 4.320 0.000 0.000 0.309 179 A C -2.354 174.882 177.584 -0.580 0.000 1.285 179 A CA -1.567 50.279 52.037 -0.318 0.000 0.900 179 A CB 0.418 19.364 19.000 -0.089 0.000 1.157 179 A HN 0.601 nan 8.150 nan 0.000 0.536 180 P HA 0.130 nan 4.420 nan 0.000 0.273 180 P C -0.366 176.876 177.300 -0.096 0.000 1.250 180 P CA -0.426 62.518 63.100 -0.259 0.000 0.793 180 P CB 0.381 32.018 31.700 -0.106 0.000 1.011 181 Q N 1.093 120.880 119.800 -0.021 0.000 2.369 181 Q HA 0.086 4.426 4.340 0.000 0.000 0.295 181 Q C -1.631 174.357 176.000 -0.019 0.000 1.075 181 Q CA -0.490 55.307 55.803 -0.010 0.000 0.941 181 Q CB -0.813 27.930 28.738 0.008 0.000 1.260 181 Q HN 0.440 nan 8.270 nan 0.000 0.417 182 P HA 0.178 nan 4.420 nan 0.000 0.277 182 P C -0.632 176.658 177.300 -0.016 0.000 1.271 182 P CA -0.483 62.605 63.100 -0.021 0.000 0.795 182 P CB 0.602 32.288 31.700 -0.024 0.000 1.101 183 V N 0.767 120.671 119.914 -0.016 0.000 2.488 183 V HA 0.142 4.262 4.120 0.000 0.000 0.277 183 V C 0.357 176.439 176.094 -0.020 0.000 1.046 183 V CA -0.223 62.067 62.300 -0.016 0.000 0.986 183 V CB 1.025 32.839 31.823 -0.015 0.000 0.989 183 V HN 0.216 nan 8.190 nan 0.000 0.475 184 V N 4.594 124.494 119.914 -0.022 0.000 2.376 184 V HA 0.626 4.746 4.120 0.000 0.000 0.287 184 V C 0.047 176.124 176.094 -0.029 0.000 1.015 184 V CA -0.226 62.059 62.300 -0.025 0.000 0.834 184 V CB 1.669 33.477 31.823 -0.025 0.000 1.001 184 V HN 0.988 nan 8.190 nan 0.000 0.428 185 T N 5.340 119.876 114.554 -0.029 0.000 2.933 185 T HA 0.668 5.018 4.350 0.000 0.000 0.305 185 T C -2.992 171.689 174.700 -0.031 0.000 1.092 185 T CA -1.808 60.271 62.100 -0.034 0.000 1.008 185 T CB 2.482 71.329 68.868 -0.035 0.000 1.102 185 T HN 0.381 nan 8.240 nan 0.000 0.469 186 P HA 0.232 nan 4.420 nan 0.000 0.270 186 P C -0.130 177.155 177.300 -0.026 0.000 1.223 186 P CA -0.375 62.708 63.100 -0.030 0.000 0.785 186 P CB 0.394 32.074 31.700 -0.033 0.000 0.923 187 E N 1.198 121.385 120.200 -0.021 0.000 2.437 187 E HA -0.112 4.238 4.350 0.000 0.000 0.263 187 E C 1.157 177.747 176.600 -0.017 0.000 1.030 187 E CA 0.282 56.671 56.400 -0.018 0.000 0.934 187 E CB 0.404 30.095 29.700 -0.014 0.000 0.943 187 E HN 0.556 nan 8.360 nan 0.000 0.444 188 E N 2.274 122.465 120.200 -0.015 0.000 2.097 188 E HA -0.262 4.088 4.350 0.000 0.000 0.196 188 E C 1.549 178.142 176.600 -0.011 0.000 1.000 188 E CA 1.249 57.641 56.400 -0.014 0.000 0.804 188 E CB 0.165 29.858 29.700 -0.012 0.000 0.740 188 E HN 0.477 nan 8.360 nan 0.000 0.454 189 E N -0.150 120.045 120.200 -0.008 0.000 2.118 189 E HA -0.206 4.145 4.350 0.000 0.000 0.195 189 E C 1.938 178.535 176.600 -0.004 0.000 0.992 189 E CA 0.936 57.333 56.400 -0.005 0.000 0.804 189 E CB 0.140 29.837 29.700 -0.005 0.000 0.741 189 E HN 0.272 nan 8.360 nan 0.000 0.458 190 E N 0.417 120.612 120.200 -0.008 0.000 2.106 190 E HA -0.137 4.213 4.350 0.000 0.000 0.192 190 E C 2.347 178.941 176.600 -0.010 0.000 0.984 190 E CA 0.476 56.871 56.400 -0.009 0.000 0.806 190 E CB -0.228 29.464 29.700 -0.013 0.000 0.750 190 E HN 0.350 nan 8.360 nan 0.000 0.458 191 L N 0.307 121.521 121.223 -0.016 0.000 2.046 191 L HA -0.159 4.182 4.340 0.000 0.000 0.208 191 L C 2.705 179.571 176.870 -0.007 0.000 1.077 191 L CA 1.155 55.983 54.840 -0.020 0.000 0.747 191 L CB -0.385 41.657 42.059 -0.029 0.000 0.896 191 L HN 0.036 nan 8.230 nan 0.000 0.432 192 R N 0.135 120.633 120.500 -0.002 0.000 2.091 192 R HA -0.167 4.173 4.340 0.000 0.000 0.238 192 R C 2.395 178.704 176.300 0.016 0.000 1.136 192 R CA 1.416 57.520 56.100 0.006 0.000 0.959 192 R CB -0.142 30.162 30.300 0.006 0.000 0.856 192 R HN 0.320 nan 8.270 nan 0.000 0.437 193 K N 0.249 120.658 120.400 0.014 0.000 2.057 193 K HA -0.160 4.160 4.320 0.000 0.000 0.207 193 K C 2.048 178.666 176.600 0.030 0.000 1.049 193 K CA 1.006 57.306 56.287 0.023 0.000 0.931 193 K CB -0.270 32.238 32.500 0.015 0.000 0.714 193 K HN 0.059 nan 8.250 nan 0.000 0.440 194 L N 1.346 122.581 121.223 0.020 0.000 2.017 194 L HA -0.136 4.204 4.340 0.000 0.000 0.208 194 L C 2.232 179.127 176.870 0.041 0.000 1.073 194 L CA 1.898 56.755 54.840 0.028 0.000 0.745 194 L CB -0.823 41.243 42.059 0.012 0.000 0.894 194 L HN 0.120 nan 8.230 nan 0.000 0.432 195 A N -1.030 121.809 122.820 0.031 0.000 1.908 195 A HA -0.310 4.011 4.320 0.000 0.000 0.218 195 A C 2.339 179.935 177.584 0.021 0.000 1.181 195 A CA 1.933 53.988 52.037 0.031 0.000 0.627 195 A CB -0.757 18.254 19.000 0.017 0.000 0.818 195 A HN 0.682 nan 8.150 nan 0.000 0.445 196 Q N -0.640 119.183 119.800 0.038 0.000 2.084 196 Q HA -0.114 4.226 4.340 0.000 0.000 0.202 196 Q C 2.049 178.122 176.000 0.121 0.000 0.978 196 Q CA 1.432 57.279 55.803 0.074 0.000 0.844 196 Q CB -0.218 28.587 28.738 0.112 0.000 0.898 196 Q HN 0.690 nan 8.270 nan 0.000 0.426 197 L N 0.307 121.589 121.223 0.099 0.000 2.017 197 L HA -0.204 4.136 4.340 0.000 0.000 0.208 197 L C 2.220 179.136 176.870 0.076 0.000 1.073 197 L CA 1.147 56.049 54.840 0.104 0.000 0.745 197 L CB -0.190 41.908 42.059 0.065 0.000 0.894 197 L HN 0.382 nan 8.230 nan 0.000 0.432 198 L N -0.608 120.640 121.223 0.043 0.000 2.131 198 L HA -0.247 4.093 4.340 0.000 0.000 0.210 198 L C 2.741 179.580 176.870 -0.052 0.000 1.092 198 L CA 1.125 55.971 54.840 0.011 0.000 0.759 198 L CB -0.590 41.492 42.059 0.039 0.000 0.903 198 L HN 0.313 nan 8.230 nan 0.000 0.435 199 R N -0.267 120.168 120.500 -0.109 0.000 2.105 199 R HA -0.201 4.139 4.340 0.000 0.000 0.239 199 R C 1.147 177.210 176.300 -0.396 0.000 1.135 199 R CA 1.644 57.564 56.100 -0.300 0.000 0.967 199 R CB -0.025 29.995 30.300 -0.466 0.000 0.861 199 R HN 0.301 nan 8.270 nan 0.000 0.442 200 Y N -0.521 119.769 120.300 -0.017 0.000 2.607 200 Y HA 0.360 4.910 4.550 0.000 0.000 0.266 200 Y C -0.109 175.772 175.900 -0.031 0.000 1.178 200 Y CA -0.355 57.732 58.100 -0.021 0.000 1.226 200 Y CB 0.885 39.335 38.460 -0.017 0.000 1.144 200 Y HN -0.115 nan 8.280 nan 0.000 0.528 201 S N -0.602 115.131 115.700 0.054 0.000 2.593 201 S HA 0.720 5.190 4.470 0.000 0.000 0.297 201 S C -0.094 174.483 174.600 -0.038 0.000 1.112 201 S CA -0.698 57.507 58.200 0.008 0.000 1.043 201 S CB 1.819 65.015 63.200 -0.007 0.000 1.054 201 S HN 0.067 nan 8.310 nan 0.000 0.516 202 S N 1.599 117.257 115.700 -0.070 0.000 2.671 202 S HA 0.525 4.995 4.470 0.000 0.000 0.299 202 S C -0.727 173.745 174.600 -0.214 0.000 1.116 202 S CA -1.079 57.056 58.200 -0.108 0.000 0.912 202 S CB 0.846 63.995 63.200 -0.085 0.000 1.130 202 S HN 0.739 nan 8.310 nan 0.000 0.501 203 N N 0.845 119.373 118.700 -0.287 0.000 2.667 203 N HA -0.151 4.589 4.740 0.000 0.000 0.263 203 N C -1.097 173.990 175.510 -0.704 0.000 1.038 203 N CA 0.575 53.170 53.050 -0.758 0.000 0.749 203 N CB -1.400 36.541 38.487 -0.910 0.000 0.892 203 N HN 0.568 nan 8.380 nan 0.000 0.546 204 I N -0.023 120.394 120.570 -0.255 0.000 2.353 204 I HA 0.532 4.702 4.170 0.000 0.000 0.293 204 I C 0.853 177.033 176.117 0.105 0.000 0.992 204 I CA -0.619 60.623 61.300 -0.096 0.000 1.268 204 I CB 1.468 39.419 38.000 -0.083 0.000 1.387 204 I HN 0.286 nan 8.210 nan 0.000 0.478 205 A N 7.297 130.186 122.820 0.116 0.000 2.356 205 A HA 0.873 5.193 4.320 0.000 0.000 0.323 205 A C -0.815 176.802 177.584 0.055 0.000 1.119 205 A CA -0.639 51.489 52.037 0.152 0.000 0.790 205 A CB 1.199 20.324 19.000 0.208 0.000 1.273 205 A HN 0.676 nan 8.150 nan 0.000 0.452 206 L N 1.575 122.814 121.223 0.027 0.000 2.307 206 L HA 0.570 4.910 4.340 0.000 0.000 0.284 206 L C -0.385 176.489 176.870 0.007 0.000 1.023 206 L CA -0.576 54.286 54.840 0.036 0.000 0.810 206 L CB 1.688 43.775 42.059 0.046 0.000 1.231 206 L HN 0.765 nan 8.230 nan 0.000 0.423 207 M N 4.092 123.701 119.600 0.015 0.000 2.066 207 M HA 0.404 4.884 4.480 0.000 0.000 0.340 207 M C -1.188 175.124 176.300 0.020 0.000 1.053 207 M CA -0.100 55.179 55.300 -0.036 0.000 0.983 207 M CB 0.629 33.195 32.600 -0.058 0.000 1.520 207 M HN 0.563 nan 8.290 nan 0.000 0.428 208 C N 3.929 123.245 119.300 0.026 0.000 2.379 208 C HA 0.979 5.439 4.460 0.000 0.000 0.323 208 C C 0.829 175.881 174.990 0.103 0.000 1.262 208 C CA -0.722 58.338 59.018 0.071 0.000 1.581 208 C CB 0.603 28.387 27.740 0.073 0.000 2.221 208 C HN 1.015 nan 8.230 nan 0.000 0.497 209 G N 0.935 109.804 108.800 0.114 0.000 3.075 209 G HA2 0.492 4.452 3.960 0.000 0.000 0.253 209 G HA3 0.492 4.452 3.960 0.000 0.000 0.253 209 G C 0.860 175.851 174.900 0.152 0.000 1.353 209 G CA 0.378 45.567 45.100 0.148 0.000 1.051 209 G HN 0.813 nan 8.290 nan 0.000 0.553 210 S N -1.239 114.572 115.700 0.185 0.000 2.507 210 S HA 0.019 4.489 4.470 0.000 0.000 0.235 210 S C 2.207 176.814 174.600 0.013 0.000 0.988 210 S CA 1.371 59.677 58.200 0.176 0.000 0.944 210 S CB -0.368 62.990 63.200 0.263 0.000 0.762 210 S HN 0.980 nan 8.310 nan 0.000 0.526 211 G N 0.355 109.179 108.800 0.039 0.000 2.498 211 G HA2 -0.151 3.809 3.960 0.000 0.000 0.219 211 G HA3 -0.151 3.809 3.960 0.000 0.000 0.219 211 G C 1.179 176.060 174.900 -0.032 0.000 1.119 211 G CA 0.856 45.953 45.100 -0.006 0.000 0.766 211 G HN 0.659 nan 8.290 nan 0.000 0.552 212 C N 0.975 120.264 119.300 -0.018 0.000 2.576 212 C HA 0.582 5.042 4.460 0.000 0.000 0.267 212 C C 1.977 176.934 174.990 -0.055 0.000 1.364 212 C CA -0.858 58.152 59.018 -0.014 0.000 1.723 212 C CB -1.423 26.337 27.740 0.033 0.000 1.778 212 C HN 0.598 nan 8.230 nan 0.000 0.572 213 A N 0.539 123.221 122.820 -0.231 0.000 2.567 213 A HA 0.396 4.716 4.320 0.000 0.000 0.240 213 A C 1.482 179.003 177.584 -0.106 0.000 1.053 213 A CA 1.197 52.991 52.037 -0.404 0.000 0.755 213 A CB -0.509 17.994 19.000 -0.827 0.000 0.978 213 A HN 1.487 nan 8.150 nan 0.000 0.507 214 G N 0.899 109.709 108.800 0.018 0.000 2.199 214 G HA2 0.049 4.009 3.960 0.000 0.000 0.254 214 G HA3 0.049 4.009 3.960 0.000 0.000 0.254 214 G C 0.761 175.699 174.900 0.063 0.000 0.982 214 G CA 0.807 45.938 45.100 0.051 0.000 0.632 214 G HN 2.207 nan 8.290 nan 0.000 0.529 215 A N -0.280 122.577 122.820 0.062 0.000 2.564 215 A HA 0.548 4.868 4.320 0.000 0.000 0.279 215 A C 1.221 178.847 177.584 0.070 0.000 1.232 215 A CA 1.140 53.204 52.037 0.046 0.000 0.950 215 A CB -0.377 18.624 19.000 0.001 0.000 1.138 215 A HN 0.605 nan 8.150 nan 0.000 0.526 216 H N 1.290 120.375 119.070 0.025 0.000 2.289 216 H HA -0.190 4.366 4.556 0.000 0.000 0.296 216 H C 1.964 177.292 175.328 -0.000 0.000 1.091 216 H CA 2.260 58.304 56.048 -0.005 0.000 1.274 216 H CB 0.076 29.832 29.762 -0.010 0.000 1.364 216 H HN 0.570 nan 8.280 nan 0.000 0.490 217 K N 0.400 120.891 120.400 0.152 0.000 2.032 217 K HA -0.186 4.135 4.320 0.000 0.000 0.209 217 K C 2.078 178.693 176.600 0.025 0.000 1.048 217 K CA 2.017 58.364 56.287 0.100 0.000 0.927 217 K CB 0.077 32.644 32.500 0.111 0.000 0.712 217 K HN 0.248 nan 8.250 nan 0.000 0.441 218 E N 0.896 121.107 120.200 0.018 0.000 2.072 218 E HA -0.173 4.177 4.350 0.000 0.000 0.191 218 E C 1.773 178.379 176.600 0.010 0.000 0.985 218 E CA 0.870 57.273 56.400 0.005 0.000 0.801 218 E CB -0.231 29.457 29.700 -0.020 0.000 0.750 218 E HN 0.220 nan 8.360 nan 0.000 0.452 219 L N 0.101 121.310 121.223 -0.023 0.000 2.017 219 L HA -0.140 4.200 4.340 0.000 0.000 0.208 219 L C 2.056 178.912 176.870 -0.025 0.000 1.073 219 L CA 1.495 56.332 54.840 -0.005 0.000 0.745 219 L CB -0.492 41.527 42.059 -0.066 0.000 0.894 219 L HN 0.024 nan 8.230 nan 0.000 0.432 220 V N -0.201 119.642 119.914 -0.119 0.000 2.427 220 V HA -0.271 3.849 4.120 0.000 0.000 0.248 220 V C 2.605 178.685 176.094 -0.023 0.000 1.051 220 V CA 1.911 64.173 62.300 -0.063 0.000 1.048 220 V CB -0.574 31.183 31.823 -0.110 0.000 0.666 220 V HN 0.613 nan 8.190 nan 0.000 0.456 221 E N -0.480 119.724 120.200 0.006 0.000 2.072 221 E HA -0.249 4.101 4.350 0.000 0.000 0.191 221 E C 2.104 178.707 176.600 0.005 0.000 0.985 221 E CA 1.415 57.826 56.400 0.019 0.000 0.801 221 E CB -0.168 29.558 29.700 0.043 0.000 0.750 221 E HN 0.534 nan 8.360 nan 0.000 0.452 222 F N 1.303 121.173 119.950 -0.135 0.000 2.075 222 F HA -0.090 4.437 4.527 0.000 0.000 0.297 222 F C 2.090 177.755 175.800 -0.224 0.000 1.113 222 F CA 1.600 59.514 58.000 -0.143 0.000 1.218 222 F CB -0.859 38.075 39.000 -0.111 0.000 0.984 222 F HN 0.075 nan 8.300 nan 0.000 0.472 223 A N 0.306 122.882 122.820 -0.407 0.000 1.908 223 A HA -0.114 4.206 4.320 0.000 0.000 0.218 223 A C 2.510 179.547 177.584 -0.913 0.000 1.181 223 A CA 1.917 53.536 52.037 -0.696 0.000 0.627 223 A CB -1.830 16.779 19.000 -0.651 0.000 0.818 223 A HN 0.532 nan 8.150 nan 0.000 0.445 224 G N -0.816 107.418 108.800 -0.943 0.000 2.408 224 G HA2 -0.219 3.741 3.960 0.000 0.000 0.217 224 G HA3 -0.219 3.741 3.960 0.000 0.000 0.217 224 G C 1.642 176.367 174.900 -0.291 0.000 1.150 224 G CA 1.165 45.882 45.100 -0.638 0.000 0.776 224 G HN 0.578 nan 8.290 nan 0.000 0.542 225 K N 0.440 120.688 120.400 -0.253 0.000 2.025 225 K HA 0.022 4.342 4.320 0.000 0.000 0.207 225 K C 2.311 178.792 176.600 -0.198 0.000 1.049 225 K CA 1.359 57.550 56.287 -0.160 0.000 0.933 225 K CB -0.232 32.216 32.500 -0.086 0.000 0.714 225 K HN 0.505 nan 8.250 nan 0.000 0.438 226 I N -2.596 117.776 120.570 -0.329 0.000 3.883 226 I HA 0.122 4.292 4.170 0.000 0.000 0.326 226 I C -0.751 175.223 176.117 -0.238 0.000 1.283 226 I CA -0.296 60.827 61.300 -0.294 0.000 1.161 226 I CB 0.382 38.138 38.000 -0.407 0.000 1.012 226 I HN -0.050 nan 8.210 nan 0.000 0.421 227 K N 1.505 121.753 120.400 -0.253 0.000 3.393 227 K HA -0.142 4.178 4.320 0.000 0.000 0.272 227 K C -0.176 176.355 176.600 -0.115 0.000 1.004 227 K CA 0.984 57.179 56.287 -0.154 0.000 0.764 227 K CB -2.090 30.380 32.500 -0.051 0.000 1.373 227 K HN 0.653 nan 8.250 nan 0.000 0.458 228 A N 1.545 124.229 122.820 -0.225 0.000 2.287 228 A HA 0.612 4.932 4.320 0.000 0.000 0.317 228 A C -2.077 175.454 177.584 -0.089 0.000 1.220 228 A CA -1.488 50.481 52.037 -0.114 0.000 0.835 228 A CB 1.060 19.940 19.000 -0.201 0.000 1.180 228 A HN 0.025 nan 8.150 nan 0.000 0.500 229 P HA 0.231 nan 4.420 nan 0.000 0.269 229 P C -0.643 176.637 177.300 -0.033 0.000 1.215 229 P CA 0.289 63.367 63.100 -0.037 0.000 0.780 229 P CB 0.781 32.386 31.700 -0.158 0.000 0.898 230 I N 1.980 122.534 120.570 -0.028 0.000 2.377 230 I HA 0.297 4.468 4.170 0.000 0.000 0.293 230 I C 0.496 176.570 176.117 -0.072 0.000 0.987 230 I CA -0.959 60.324 61.300 -0.029 0.000 1.185 230 I CB 1.963 39.967 38.000 0.007 0.000 1.341 230 I HN 0.117 nan 8.210 nan 0.000 0.455 231 V N 6.414 126.266 119.914 -0.104 0.000 2.667 231 V HA 0.582 4.702 4.120 0.000 0.000 0.308 231 V C -0.783 175.215 176.094 -0.160 0.000 1.048 231 V CA -0.206 61.968 62.300 -0.211 0.000 0.928 231 V CB 1.734 33.369 31.823 -0.313 0.000 1.004 231 V HN 0.812 nan 8.190 nan 0.000 0.444 232 H N 4.302 123.271 119.070 -0.168 0.000 2.524 232 H HA 0.821 5.377 4.556 0.000 0.000 0.353 232 H C -0.129 175.115 175.328 -0.140 0.000 1.136 232 H CA -0.359 55.621 56.048 -0.113 0.000 1.193 232 H CB 1.768 31.501 29.762 -0.048 0.000 1.558 232 H HN 0.984 nan 8.280 nan 0.000 0.515 233 A N 2.728 125.567 122.820 0.030 0.000 2.366 233 A HA 0.114 4.434 4.320 0.000 0.000 0.249 233 A C 1.389 179.051 177.584 0.131 0.000 1.084 233 A CA -0.528 51.556 52.037 0.079 0.000 0.794 233 A CB 0.291 19.404 19.000 0.190 0.000 1.034 233 A HN 0.724 nan 8.150 nan 0.000 0.491 234 L N 0.802 122.059 121.223 0.056 0.000 2.043 234 L HA -0.178 4.162 4.340 0.000 0.000 0.212 234 L C 2.351 179.156 176.870 -0.108 0.000 1.075 234 L CA 2.062 56.837 54.840 -0.108 0.000 0.752 234 L CB -0.527 41.313 42.059 -0.366 0.000 0.891 234 L HN 0.756 nan 8.230 nan 0.000 0.432 235 R N -0.861 119.644 120.500 0.009 0.000 2.307 235 R HA 0.066 4.406 4.340 0.000 0.000 0.199 235 R C 1.877 178.299 176.300 0.204 0.000 1.000 235 R CA 0.692 56.874 56.100 0.136 0.000 1.023 235 R CB -0.515 29.935 30.300 0.251 0.000 0.908 235 R HN 0.549 nan 8.270 nan 0.000 0.473 236 G N 1.276 110.184 108.800 0.180 0.000 2.777 236 G HA2 -0.163 3.797 3.960 0.000 0.000 0.211 236 G HA3 -0.163 3.797 3.960 0.000 0.000 0.211 236 G C 1.324 176.260 174.900 0.060 0.000 1.149 236 G CA -0.188 45.036 45.100 0.207 0.000 0.785 236 G HN 0.201 nan 8.290 nan 0.000 0.536 237 K N 1.590 121.971 120.400 -0.031 0.000 2.020 237 K HA -0.222 4.098 4.320 0.000 0.000 0.212 237 K C 2.377 178.880 176.600 -0.161 0.000 1.050 237 K CA 1.994 58.120 56.287 -0.268 0.000 0.929 237 K CB -0.283 32.162 32.500 -0.091 0.000 0.714 237 K HN 0.510 nan 8.250 nan 0.000 0.443 238 E N -0.921 119.202 120.200 -0.129 0.000 2.265 238 E HA -0.213 4.137 4.350 0.000 0.000 0.196 238 E C 1.337 177.886 176.600 -0.085 0.000 0.996 238 E CA 1.167 57.474 56.400 -0.155 0.000 0.832 238 E CB -0.186 29.360 29.700 -0.256 0.000 0.756 238 E HN 0.538 nan 8.360 nan 0.000 0.491 239 H N -0.480 118.690 119.070 0.167 0.000 2.595 239 H HA 0.203 4.759 4.556 0.000 0.000 0.265 239 H C 1.460 176.926 175.328 0.230 0.000 0.953 239 H CA 0.731 56.923 56.048 0.241 0.000 1.197 239 H CB 1.247 31.104 29.762 0.157 0.000 1.438 239 H HN 0.129 nan 8.280 nan 0.000 0.531 240 V N -0.286 119.732 119.914 0.173 0.000 3.350 240 V HA 0.016 4.136 4.120 0.000 0.000 0.246 240 V C 1.036 177.071 176.094 -0.097 0.000 1.363 240 V CA 0.096 62.406 62.300 0.017 0.000 1.162 240 V CB 1.114 32.934 31.823 -0.004 0.000 0.947 240 V HN 0.149 nan 8.190 nan 0.000 0.454 241 E N 1.409 121.544 120.200 -0.108 0.000 2.325 241 E HA 0.257 4.607 4.350 0.000 0.000 0.295 241 E C -1.138 175.552 176.600 0.151 0.000 1.461 241 E CA -0.236 56.117 56.400 -0.079 0.000 1.698 241 E CB -0.030 29.525 29.700 -0.242 0.000 1.496 241 E HN 0.683 nan 8.360 nan 0.000 0.474 242 Y N -2.821 117.526 120.300 0.079 0.000 2.620 242 Y HA 0.224 4.775 4.550 0.000 0.000 0.331 242 Y C -0.662 175.331 175.900 0.155 0.000 1.173 242 Y CA -1.640 56.500 58.100 0.067 0.000 1.076 242 Y CB 0.450 38.910 38.460 -0.000 0.000 1.336 242 Y HN -0.061 nan 8.280 nan 0.000 0.459 243 D N 1.738 122.251 120.400 0.189 0.000 2.720 243 D HA -0.234 4.406 4.640 0.000 0.000 0.229 243 D C -0.858 175.496 176.300 0.091 0.000 1.198 243 D CA 1.550 55.632 54.000 0.136 0.000 0.639 243 D CB -0.796 40.117 40.800 0.188 0.000 1.003 243 D HN 0.685 nan 8.370 nan 0.000 0.411 244 N N 0.147 118.848 118.700 0.002 0.000 2.653 244 N HA 0.171 4.911 4.740 0.000 0.000 0.261 244 N C -2.161 173.249 175.510 -0.168 0.000 1.216 244 N CA -1.449 51.558 53.050 -0.072 0.000 0.784 244 N CB 1.334 39.773 38.487 -0.081 0.000 1.327 244 N HN -0.194 nan 8.380 nan 0.000 0.539 245 P HA 0.032 nan 4.420 nan 0.000 0.242 245 P C 0.192 177.129 177.300 -0.607 0.000 1.197 245 P CA 0.685 63.498 63.100 -0.479 0.000 0.765 245 P CB 0.051 31.394 31.700 -0.594 0.000 0.936 246 Y N -0.818 119.411 120.300 -0.118 0.000 2.478 246 Y HA 0.176 4.726 4.550 0.000 0.000 0.261 246 Y C 1.165 176.954 175.900 -0.184 0.000 1.127 246 Y CA -0.748 57.269 58.100 -0.138 0.000 1.288 246 Y CB -0.319 38.068 38.460 -0.121 0.000 1.084 246 Y HN -0.037 nan 8.280 nan 0.000 0.530 247 D N 1.413 121.741 120.400 -0.119 0.000 2.348 247 D HA 0.115 4.756 4.640 0.000 0.000 0.253 247 D C 0.644 176.673 176.300 -0.451 0.000 1.161 247 D CA 0.306 54.206 54.000 -0.166 0.000 0.876 247 D CB 1.790 42.544 40.800 -0.077 0.000 1.160 247 D HN 0.172 nan 8.370 nan 0.000 0.459 248 V N 1.297 120.990 119.914 -0.368 0.000 3.159 248 V HA 0.557 4.677 4.120 0.000 0.000 0.333 248 V C 0.804 176.792 176.094 -0.177 0.000 1.424 248 V CA 0.490 62.508 62.300 -0.471 0.000 1.125 248 V CB -0.117 31.582 31.823 -0.207 0.000 1.075 248 V HN 0.813 nan 8.190 nan 0.000 0.482 249 G N 0.824 109.505 108.800 -0.199 0.000 2.418 249 G HA2 -0.066 3.895 3.960 0.000 0.000 0.206 249 G HA3 -0.066 3.895 3.960 0.000 0.000 0.206 249 G C -0.727 173.621 174.900 -0.919 0.000 1.202 249 G CA -0.163 44.712 45.100 -0.374 0.000 1.061 249 G HN 0.455 nan 8.290 nan 0.000 0.563 250 M N 0.730 119.606 119.600 -1.207 0.000 2.619 250 M HA 0.594 5.074 4.480 0.000 0.000 0.297 250 M C 0.448 176.331 176.300 -0.695 0.000 1.229 250 M CA -0.534 54.236 55.300 -0.883 0.000 0.860 250 M CB 2.562 34.762 32.600 -0.666 0.000 1.741 250 M HN 0.896 nan 8.290 nan 0.000 0.462 251 T N -1.171 113.073 114.554 -0.517 0.000 2.855 251 T HA 0.928 5.278 4.350 0.000 0.000 0.275 251 T C 0.353 174.822 174.700 -0.385 0.000 1.022 251 T CA -0.164 61.724 62.100 -0.353 0.000 0.977 251 T CB 1.127 69.827 68.868 -0.279 0.000 1.559 251 T HN 1.102 nan 8.240 nan 0.000 0.600 252 G N -0.722 107.606 108.800 -0.787 0.000 2.756 252 G HA2 -0.131 3.829 3.960 0.000 0.000 0.678 252 G HA3 -0.131 3.829 3.960 0.000 0.000 0.678 252 G C 0.362 174.793 174.900 -0.782 0.000 1.349 252 G CA -0.262 44.090 45.100 -1.246 0.000 0.847 252 G HN 0.797 nan 8.290 nan 0.000 0.548 253 L N 0.200 121.060 121.223 -0.605 0.000 2.191 253 L HA -0.005 4.335 4.340 0.000 0.000 0.212 253 L C 2.709 179.456 176.870 -0.206 0.000 1.103 253 L CA 2.031 56.724 54.840 -0.246 0.000 0.769 253 L CB -0.347 41.595 42.059 -0.194 0.000 0.908 253 L HN 0.675 nan 8.230 nan 0.000 0.438 254 I N -3.580 116.844 120.570 -0.242 0.000 3.883 254 I HA 0.284 4.454 4.170 0.000 0.000 0.326 254 I C 1.305 177.379 176.117 -0.072 0.000 1.283 254 I CA -0.158 61.050 61.300 -0.154 0.000 1.161 254 I CB -0.487 37.404 38.000 -0.181 0.000 1.012 254 I HN -0.026 nan 8.210 nan 0.000 0.421 255 G N 1.737 110.449 108.800 -0.146 0.000 2.485 255 G HA2 0.444 4.404 3.960 0.000 0.000 0.260 255 G HA3 0.444 4.404 3.960 0.000 0.000 0.260 255 G C -0.510 174.409 174.900 0.032 0.000 1.459 255 G CA -0.249 44.732 45.100 -0.199 0.000 1.060 255 G HN 0.409 nan 8.290 nan 0.000 0.546 256 F N -3.425 116.472 119.950 -0.089 0.000 2.726 256 F HA 0.540 5.067 4.527 0.000 0.000 0.324 256 F C 1.432 177.204 175.800 -0.046 0.000 1.140 256 F CA -0.515 57.442 58.000 -0.071 0.000 0.964 256 F CB 0.961 39.923 39.000 -0.064 0.000 1.399 256 F HN 0.467 nan 8.300 nan 0.000 0.491 257 S N 0.035 115.830 115.700 0.158 0.000 2.365 257 S HA -0.245 4.226 4.470 0.000 0.000 0.225 257 S C 1.861 176.480 174.600 0.033 0.000 1.039 257 S CA 1.873 60.072 58.200 -0.002 0.000 1.033 257 S CB -1.405 61.829 63.200 0.056 0.000 0.887 257 S HN 0.856 nan 8.310 nan 0.000 0.447 258 S N 2.275 118.076 115.700 0.169 0.000 2.356 258 S HA 0.024 4.494 4.470 0.000 0.000 0.223 258 S C 2.176 176.785 174.600 0.016 0.000 1.032 258 S CA 1.071 59.368 58.200 0.162 0.000 1.005 258 S CB -1.750 61.627 63.200 0.296 0.000 0.867 258 S HN 0.721 nan 8.310 nan 0.000 0.449 259 G N 0.852 109.565 108.800 -0.146 0.000 2.421 259 G HA2 -0.150 3.810 3.960 0.000 0.000 0.216 259 G HA3 -0.150 3.810 3.960 0.000 0.000 0.216 259 G C 1.193 176.007 174.900 -0.144 0.000 1.171 259 G CA 0.850 45.788 45.100 -0.270 0.000 0.775 259 G HN 0.489 nan 8.290 nan 0.000 0.543 260 F N 1.337 121.146 119.950 -0.235 0.000 2.046 260 F HA -0.142 4.385 4.527 0.000 0.000 0.297 260 F C 2.821 178.576 175.800 -0.075 0.000 1.123 260 F CA 2.153 60.060 58.000 -0.154 0.000 1.199 260 F CB -0.317 38.560 39.000 -0.205 0.000 0.972 260 F HN 0.183 nan 8.300 nan 0.000 0.474 261 H N -0.668 118.456 119.070 0.090 0.000 2.387 261 H HA -0.085 4.471 4.556 0.000 0.000 0.299 261 H C 2.305 177.613 175.328 -0.033 0.000 1.090 261 H CA 1.852 57.901 56.048 0.003 0.000 1.332 261 H CB -1.137 28.687 29.762 0.103 0.000 1.386 261 H HN 0.273 nan 8.280 nan 0.000 0.516 262 T N 1.437 116.032 114.554 0.069 0.000 2.746 262 T HA -0.126 4.224 4.350 0.000 0.000 0.267 262 T C 2.271 177.031 174.700 0.099 0.000 1.039 262 T CA 0.977 63.096 62.100 0.033 0.000 1.142 262 T CB -0.056 68.754 68.868 -0.096 0.000 0.866 262 T HN 0.159 nan 8.240 nan 0.000 0.444 263 M N 0.445 120.018 119.600 -0.045 0.000 2.086 263 M HA 0.010 4.490 4.480 0.000 0.000 0.261 263 M C 2.332 178.588 176.300 -0.074 0.000 1.067 263 M CA 1.413 56.662 55.300 -0.084 0.000 1.116 263 M CB -0.740 31.736 32.600 -0.207 0.000 1.348 263 M HN 0.234 nan 8.290 nan 0.000 0.407 264 M N 0.134 119.631 119.600 -0.172 0.000 2.213 264 M HA -0.151 4.329 4.480 0.000 0.000 0.263 264 M C 1.271 177.553 176.300 -0.031 0.000 1.062 264 M CA 1.406 56.608 55.300 -0.164 0.000 1.105 264 M CB -1.458 30.942 32.600 -0.333 0.000 1.385 264 M HN 0.239 nan 8.290 nan 0.000 0.417 265 N N 0.306 119.039 118.700 0.054 0.000 2.353 265 N HA 0.150 4.890 4.740 0.000 0.000 0.185 265 N C 0.360 175.892 175.510 0.037 0.000 1.098 265 N CA 0.163 53.270 53.050 0.094 0.000 0.872 265 N CB -0.085 38.516 38.487 0.189 0.000 0.970 265 N HN 0.175 nan 8.380 nan 0.000 0.467 266 A N 0.718 123.562 122.820 0.040 0.000 2.531 266 A HA 0.059 4.379 4.320 0.000 0.000 0.236 266 A C 0.624 178.084 177.584 -0.206 0.000 1.062 266 A CA 0.121 52.033 52.037 -0.207 0.000 0.760 266 A CB 0.311 19.293 19.000 -0.030 0.000 0.995 266 A HN 0.039 nan 8.150 nan 0.000 0.501 267 D N 0.141 120.356 120.400 -0.307 0.000 2.346 267 D HA 0.104 4.745 4.640 0.000 0.000 0.206 267 D C -0.120 176.107 176.300 -0.121 0.000 1.001 267 D CA 1.290 55.183 54.000 -0.179 0.000 0.871 267 D CB 0.380 41.069 40.800 -0.186 0.000 0.943 267 D HN 0.501 nan 8.370 nan 0.000 0.518 268 T N 0.710 115.184 114.554 -0.134 0.000 2.971 268 T HA 0.455 4.806 4.350 0.000 0.000 0.304 268 T C -1.191 173.487 174.700 -0.037 0.000 1.038 268 T CA -0.588 61.472 62.100 -0.067 0.000 1.007 268 T CB 2.289 71.118 68.868 -0.065 0.000 1.055 268 T HN -0.168 nan 8.240 nan 0.000 0.451 269 L N 3.999 125.228 121.223 0.009 0.000 2.381 269 L HA 0.772 5.112 4.340 0.000 0.000 0.274 269 L C -1.271 175.636 176.870 0.063 0.000 0.988 269 L CA -0.636 54.231 54.840 0.046 0.000 0.824 269 L CB 1.779 43.885 42.059 0.079 0.000 1.263 269 L HN 0.500 nan 8.230 nan 0.000 0.410 270 V N 6.345 126.304 119.914 0.075 0.000 2.334 270 V HA 0.388 4.508 4.120 0.000 0.000 0.281 270 V C 0.023 176.176 176.094 0.098 0.000 1.016 270 V CA -0.592 61.765 62.300 0.094 0.000 0.832 270 V CB 1.267 33.176 31.823 0.143 0.000 0.999 270 V HN 0.561 nan 8.190 nan 0.000 0.439 271 L N 6.459 127.740 121.223 0.098 0.000 2.283 271 L HA 0.462 4.802 4.340 0.000 0.000 0.287 271 L C -0.470 176.450 176.870 0.082 0.000 1.073 271 L CA -0.109 54.797 54.840 0.110 0.000 0.822 271 L CB 0.539 42.682 42.059 0.139 0.000 1.186 271 L HN 0.460 nan 8.230 nan 0.000 0.436 272 L N 3.911 125.180 121.223 0.077 0.000 2.295 272 L HA 0.407 4.747 4.340 0.000 0.000 0.281 272 L C 0.936 177.839 176.870 0.055 0.000 1.018 272 L CA -0.507 54.363 54.840 0.051 0.000 0.841 272 L CB 1.393 43.479 42.059 0.046 0.000 1.218 272 L HN 0.883 nan 8.230 nan 0.000 0.424 273 G N 1.728 110.554 108.800 0.044 0.000 2.350 273 G HA2 -0.251 3.709 3.960 0.000 0.000 0.298 273 G HA3 -0.251 3.709 3.960 0.000 0.000 0.298 273 G C 0.042 174.994 174.900 0.087 0.000 1.037 273 G CA 0.764 45.892 45.100 0.046 0.000 1.074 273 G HN 0.602 nan 8.290 nan 0.000 0.511 274 T N -1.385 113.239 114.554 0.117 0.000 2.903 274 T HA 0.659 5.010 4.350 0.000 0.000 0.299 274 T C 0.445 175.273 174.700 0.212 0.000 1.093 274 T CA -0.348 61.854 62.100 0.170 0.000 1.002 274 T CB 1.759 70.738 68.868 0.185 0.000 1.127 274 T HN 0.209 nan 8.240 nan 0.000 0.488 275 Q N 1.885 121.827 119.800 0.237 0.000 2.118 275 Q HA 0.273 4.613 4.340 0.000 0.000 0.219 275 Q C -0.522 175.563 176.000 0.141 0.000 0.794 275 Q CA -0.467 55.486 55.803 0.250 0.000 1.035 275 Q CB 0.428 29.294 28.738 0.213 0.000 1.177 275 Q HN 0.717 nan 8.270 nan 0.000 0.478 276 F N 3.964 123.937 119.950 0.038 0.000 2.417 276 F HA -0.064 4.463 4.527 0.000 0.000 0.412 276 F C -1.684 173.952 175.800 -0.273 0.000 0.964 276 F CA -0.678 57.268 58.000 -0.089 0.000 1.081 276 F CB 0.958 39.936 39.000 -0.037 0.000 0.909 276 F HN 0.086 nan 8.300 nan 0.000 0.522 277 P HA -0.033 nan 4.420 nan 0.000 0.257 277 P C -0.780 175.939 177.300 -0.969 0.000 1.241 277 P CA 0.542 62.785 63.100 -1.427 0.000 0.816 277 P CB 0.019 30.958 31.700 -1.268 0.000 1.150 278 Y N 0.915 120.800 120.300 -0.691 0.000 2.627 278 Y HA 0.316 4.866 4.550 0.000 0.000 0.347 278 Y C 1.899 177.952 175.900 0.256 0.000 1.099 278 Y CA -0.405 57.580 58.100 -0.191 0.000 1.408 278 Y CB -0.116 38.197 38.460 -0.245 0.000 1.247 278 Y HN -0.231 nan 8.280 nan 0.000 0.506 279 R N 1.696 122.423 120.500 0.379 0.000 2.127 279 R HA -0.191 4.149 4.340 0.000 0.000 0.238 279 R C 2.046 178.610 176.300 0.439 0.000 1.134 279 R CA 1.382 57.763 56.100 0.468 0.000 0.975 279 R CB -0.127 30.345 30.300 0.286 0.000 0.865 279 R HN 0.724 nan 8.270 nan 0.000 0.447 280 A N -0.224 122.778 122.820 0.303 0.000 2.168 280 A HA -0.034 4.286 4.320 0.000 0.000 0.215 280 A C 1.296 178.875 177.584 -0.007 0.000 1.152 280 A CA 0.693 52.787 52.037 0.094 0.000 0.716 280 A CB -0.285 18.683 19.000 -0.055 0.000 0.794 280 A HN 0.225 nan 8.150 nan 0.000 0.465 281 F N -1.954 118.140 119.950 0.239 0.000 2.797 281 F HA 0.213 4.740 4.527 0.000 0.000 0.302 281 F C 0.228 176.014 175.800 -0.023 0.000 1.130 281 F CA -0.140 57.940 58.000 0.133 0.000 1.387 281 F CB -0.157 38.992 39.000 0.249 0.000 1.107 281 F HN 0.138 nan 8.300 nan 0.000 0.577 282 Y N 2.039 122.490 120.300 0.252 0.000 2.304 282 Y HA 0.268 4.818 4.550 0.000 0.000 0.327 282 Y C -1.739 174.187 175.900 0.043 0.000 1.209 282 Y CA -3.127 55.052 58.100 0.132 0.000 1.299 282 Y CB -0.133 38.418 38.460 0.152 0.000 1.249 282 Y HN -0.203 nan 8.280 nan 0.000 0.519 283 P HA 0.013 nan 4.420 nan 0.000 0.271 283 P C 0.240 177.584 177.300 0.073 0.000 1.216 283 P CA -0.011 63.129 63.100 0.067 0.000 0.771 283 P CB 1.306 33.030 31.700 0.040 0.000 0.864 284 T N -0.894 113.683 114.554 0.039 0.000 2.809 284 T HA -0.102 4.248 4.350 0.000 0.000 0.260 284 T C 0.849 175.559 174.700 0.016 0.000 1.039 284 T CA 1.013 63.132 62.100 0.031 0.000 1.141 284 T CB -0.610 68.270 68.868 0.021 0.000 0.869 284 T HN 0.323 nan 8.240 nan 0.000 0.437 285 D N 2.271 122.674 120.400 0.006 0.000 2.943 285 D HA 0.598 5.238 4.640 0.000 0.000 0.249 285 D C -0.552 175.740 176.300 -0.013 0.000 1.231 285 D CA -0.313 53.684 54.000 -0.005 0.000 0.979 285 D CB -0.487 40.307 40.800 -0.010 0.000 1.053 285 D HN 0.582 nan 8.370 nan 0.000 0.504 286 A N 1.245 124.061 122.820 -0.006 0.000 2.594 286 A HA 0.614 4.934 4.320 0.000 0.000 0.291 286 A C -0.849 176.730 177.584 -0.008 0.000 1.105 286 A CA -0.979 51.050 52.037 -0.014 0.000 0.694 286 A CB 1.344 20.339 19.000 -0.008 0.000 1.291 286 A HN 0.132 nan 8.150 nan 0.000 0.410 287 K N 1.022 121.414 120.400 -0.014 0.000 2.276 287 K HA 0.634 4.954 4.320 0.000 0.000 0.285 287 K C -1.273 175.329 176.600 0.003 0.000 1.062 287 K CA 0.145 56.428 56.287 -0.007 0.000 0.918 287 K CB 0.164 32.659 32.500 -0.009 0.000 1.055 287 K HN 0.501 nan 8.250 nan 0.000 0.477 288 I N 6.338 126.911 120.570 0.004 0.000 2.406 288 I HA 0.365 4.536 4.170 0.000 0.000 0.290 288 I C -0.460 175.663 176.117 0.011 0.000 0.999 288 I CA -0.865 60.443 61.300 0.013 0.000 1.124 288 I CB 1.431 39.431 38.000 -0.001 0.000 1.289 288 I HN 0.513 nan 8.210 nan 0.000 0.441 289 I N 5.792 126.378 120.570 0.027 0.000 2.433 289 I HA 0.387 4.557 4.170 0.000 0.000 0.292 289 I C -0.446 175.690 176.117 0.033 0.000 1.001 289 I CA -0.459 60.857 61.300 0.027 0.000 1.119 289 I CB 1.942 39.965 38.000 0.040 0.000 1.289 289 I HN 0.559 nan 8.210 nan 0.000 0.438 290 Q N 6.619 126.430 119.800 0.019 0.000 2.323 290 Q HA 0.648 4.988 4.340 0.000 0.000 0.271 290 Q C -1.746 174.260 176.000 0.010 0.000 1.048 290 Q CA -0.558 55.259 55.803 0.024 0.000 0.792 290 Q CB 2.215 30.963 28.738 0.017 0.000 1.280 290 Q HN 0.609 nan 8.270 nan 0.000 0.441 291 I N 3.154 123.730 120.570 0.010 0.000 2.406 291 I HA 0.524 4.694 4.170 0.000 0.000 0.290 291 I C -0.781 175.334 176.117 -0.003 0.000 0.999 291 I CA -0.623 60.672 61.300 -0.009 0.000 1.124 291 I CB 1.768 39.749 38.000 -0.031 0.000 1.289 291 I HN 0.626 nan 8.210 nan 0.000 0.441 292 D N 4.780 125.173 120.400 -0.011 0.000 2.654 292 D HA 0.317 4.957 4.640 0.000 0.000 0.231 292 D C 0.334 176.621 176.300 -0.023 0.000 1.239 292 D CA -0.461 53.532 54.000 -0.011 0.000 0.790 292 D CB 2.564 43.364 40.800 0.001 0.000 1.480 292 D HN 0.531 nan 8.370 nan 0.000 0.442 293 I N -0.526 120.025 120.570 -0.031 0.000 3.251 293 I HA 0.192 4.363 4.170 0.000 0.000 0.277 293 I C 0.697 176.793 176.117 -0.034 0.000 1.268 293 I CA 0.101 61.381 61.300 -0.034 0.000 1.449 293 I CB -0.112 37.864 38.000 -0.040 0.000 1.083 293 I HN -0.039 nan 8.210 nan 0.000 0.464 294 N N 1.895 120.573 118.700 -0.037 0.000 2.469 294 N HA 0.298 5.038 4.740 0.000 0.000 0.253 294 N C -1.964 173.535 175.510 -0.019 0.000 0.970 294 N CA -2.509 50.521 53.050 -0.033 0.000 0.940 294 N CB 1.671 40.128 38.487 -0.051 0.000 1.128 294 N HN -0.195 nan 8.380 nan 0.000 0.503 295 P HA -0.113 nan 4.420 nan 0.000 0.217 295 P C 0.684 177.977 177.300 -0.012 0.000 1.148 295 P CA 1.116 64.209 63.100 -0.013 0.000 0.828 295 P CB 0.269 31.963 31.700 -0.010 0.000 0.783 296 A N -1.103 121.713 122.820 -0.006 0.000 2.121 296 A HA -0.082 4.238 4.320 0.000 0.000 0.218 296 A C 2.171 179.748 177.584 -0.012 0.000 1.154 296 A CA 1.536 53.571 52.037 -0.004 0.000 0.679 296 A CB -1.082 17.927 19.000 0.015 0.000 0.795 296 A HN 0.136 nan 8.150 nan 0.000 0.458 297 S N -0.599 115.098 115.700 -0.004 0.000 2.501 297 S HA 0.221 4.691 4.470 0.000 0.000 0.220 297 S C 0.588 175.184 174.600 -0.008 0.000 0.997 297 S CA -0.126 58.081 58.200 0.011 0.000 0.919 297 S CB -0.176 63.044 63.200 0.032 0.000 0.778 297 S HN 0.504 nan 8.310 nan 0.000 0.523 298 I N 2.133 122.691 120.570 -0.020 0.000 2.363 298 I HA 0.274 4.444 4.170 0.000 0.000 0.292 298 I C 1.272 177.359 176.117 -0.051 0.000 1.075 298 I CA 0.059 61.344 61.300 -0.025 0.000 1.333 298 I CB 0.388 38.376 38.000 -0.020 0.000 1.415 298 I HN 0.357 nan 8.210 nan 0.000 0.502 299 G N 4.509 113.268 108.800 -0.068 0.000 2.143 299 G HA2 -0.304 3.656 3.960 0.000 0.000 0.249 299 G HA3 -0.304 3.656 3.960 0.000 0.000 0.249 299 G C 0.976 175.784 174.900 -0.153 0.000 0.981 299 G CA 0.308 45.349 45.100 -0.098 0.000 0.665 299 G HN 0.784 nan 8.290 nan 0.000 0.528 300 A N -0.524 122.171 122.820 -0.210 0.000 2.014 300 A HA 0.216 4.536 4.320 0.000 0.000 0.218 300 A C 1.554 178.713 177.584 -0.709 0.000 1.163 300 A CA 1.863 53.630 52.037 -0.451 0.000 0.652 300 A CB -0.223 18.464 19.000 -0.523 0.000 0.808 300 A HN 0.711 nan 8.150 nan 0.000 0.449 301 H N -1.441 117.597 119.070 -0.053 0.000 3.007 301 H HA 0.284 4.840 4.556 0.000 0.000 0.251 301 H C -0.316 174.863 175.328 -0.249 0.000 1.188 301 H CA 0.616 56.635 56.048 -0.047 0.000 1.017 301 H CB 0.127 29.949 29.762 0.099 0.000 1.805 301 H HN 0.551 nan 8.280 nan 0.000 0.659 302 S N 0.244 115.795 115.700 -0.248 0.000 2.595 302 S HA 0.336 4.806 4.470 0.000 0.000 0.270 302 S C -0.793 173.694 174.600 -0.188 0.000 1.145 302 S CA -1.192 56.806 58.200 -0.336 0.000 0.825 302 S CB 2.529 65.266 63.200 -0.772 0.000 1.107 302 S HN 0.313 nan 8.310 nan 0.000 0.461 303 K N 0.312 120.635 120.400 -0.129 0.000 2.286 303 K HA 0.618 4.938 4.320 0.000 0.000 0.256 303 K C -0.852 175.698 176.600 -0.085 0.000 0.999 303 K CA -0.623 55.615 56.287 -0.082 0.000 0.908 303 K CB 0.355 32.825 32.500 -0.050 0.000 0.981 303 K HN 0.467 nan 8.250 nan 0.000 0.500 304 V N 2.186 122.066 119.914 -0.057 0.000 2.524 304 V HA 0.065 4.185 4.120 0.000 0.000 0.297 304 V C -0.291 175.787 176.094 -0.026 0.000 1.035 304 V CA -0.703 61.571 62.300 -0.042 0.000 0.867 304 V CB 1.554 33.353 31.823 -0.040 0.000 1.004 304 V HN 0.937 nan 8.190 nan 0.000 0.426 305 D N 3.421 123.810 120.400 -0.017 0.000 2.271 305 D HA 0.118 4.758 4.640 0.000 0.000 0.206 305 D C 0.426 176.721 176.300 -0.007 0.000 0.967 305 D CA 0.980 54.973 54.000 -0.011 0.000 0.867 305 D CB 0.891 41.687 40.800 -0.007 0.000 0.960 305 D HN 0.423 nan 8.370 nan 0.000 0.509 306 M N 0.620 120.217 119.600 -0.004 0.000 2.277 306 M HA 0.462 4.942 4.480 0.000 0.000 0.282 306 M C -2.178 174.120 176.300 -0.003 0.000 1.074 306 M CA -0.425 54.874 55.300 -0.002 0.000 0.954 306 M CB 2.494 35.097 32.600 0.006 0.000 1.672 306 M HN -0.198 nan 8.290 nan 0.000 0.471 307 A N 4.934 127.749 122.820 -0.007 0.000 2.342 307 A HA 0.893 5.213 4.320 0.000 0.000 0.323 307 A C -1.800 175.777 177.584 -0.011 0.000 1.125 307 A CA -0.569 51.462 52.037 -0.010 0.000 0.785 307 A CB 1.109 20.101 19.000 -0.014 0.000 1.221 307 A HN 0.741 nan 8.150 nan 0.000 0.463 308 L N 1.900 123.115 121.223 -0.013 0.000 2.408 308 L HA 0.513 4.853 4.340 0.000 0.000 0.268 308 L C -0.509 176.348 176.870 -0.021 0.000 0.986 308 L CA -0.504 54.324 54.840 -0.019 0.000 0.820 308 L CB 2.107 44.151 42.059 -0.025 0.000 1.303 308 L HN 0.398 nan 8.230 nan 0.000 0.411 309 V N 1.891 121.791 119.914 -0.022 0.000 2.383 309 V HA 0.927 5.047 4.120 0.000 0.000 0.275 309 V C 0.501 176.578 176.094 -0.029 0.000 1.036 309 V CA -0.099 62.187 62.300 -0.024 0.000 0.889 309 V CB 0.776 32.587 31.823 -0.021 0.000 0.985 309 V HN 0.910 nan 8.190 nan 0.000 0.459 310 G N 3.391 112.171 108.800 -0.032 0.000 2.519 310 G HA2 0.466 4.426 3.960 0.000 0.000 0.292 310 G HA3 0.466 4.426 3.960 0.000 0.000 0.292 310 G C -1.711 173.166 174.900 -0.039 0.000 1.507 310 G CA -0.770 44.308 45.100 -0.038 0.000 0.806 310 G HN 0.762 nan 8.290 nan 0.000 0.523 311 D N 0.269 120.646 120.400 -0.039 0.000 2.302 311 D HA 0.307 4.948 4.640 0.000 0.000 0.248 311 D C 1.480 177.751 176.300 -0.049 0.000 1.094 311 D CA -0.703 53.274 54.000 -0.038 0.000 0.897 311 D CB 0.667 41.449 40.800 -0.031 0.000 1.200 311 D HN 0.093 nan 8.370 nan 0.000 0.429 312 I N 3.055 123.596 120.570 -0.048 0.000 2.179 312 I HA -0.189 3.981 4.170 0.000 0.000 0.242 312 I C 2.207 178.281 176.117 -0.072 0.000 1.088 312 I CA 1.339 62.600 61.300 -0.064 0.000 1.357 312 I CB -1.187 36.783 38.000 -0.049 0.000 1.051 312 I HN 0.713 nan 8.210 nan 0.000 0.409 313 K N 1.126 121.497 120.400 -0.048 0.000 2.009 313 K HA -0.220 4.100 4.320 0.000 0.000 0.210 313 K C 2.386 178.957 176.600 -0.048 0.000 1.049 313 K CA 2.406 58.669 56.287 -0.039 0.000 0.929 313 K CB -0.033 32.457 32.500 -0.017 0.000 0.714 313 K HN 0.393 nan 8.250 nan 0.000 0.440 314 S N -0.529 115.145 115.700 -0.044 0.000 2.406 314 S HA -0.082 4.388 4.470 0.000 0.000 0.228 314 S C 1.895 176.457 174.600 -0.063 0.000 1.020 314 S CA 1.525 59.699 58.200 -0.044 0.000 0.965 314 S CB -0.441 62.739 63.200 -0.033 0.000 0.798 314 S HN 0.336 nan 8.310 nan 0.000 0.488 315 T N 3.392 117.899 114.554 -0.079 0.000 2.674 315 T HA 0.070 4.421 4.350 0.000 0.000 0.265 315 T C 1.753 176.362 174.700 -0.151 0.000 1.039 315 T CA 1.620 63.657 62.100 -0.105 0.000 1.150 315 T CB -0.588 68.213 68.868 -0.112 0.000 0.864 315 T HN 0.323 nan 8.240 nan 0.000 0.427 316 L N 0.238 121.350 121.223 -0.186 0.000 2.083 316 L HA -0.075 4.265 4.340 0.000 0.000 0.209 316 L C 2.922 179.702 176.870 -0.150 0.000 1.083 316 L CA 1.310 55.997 54.840 -0.254 0.000 0.752 316 L CB -0.497 41.402 42.059 -0.266 0.000 0.899 316 L HN 0.165 nan 8.230 nan 0.000 0.433 317 R N -0.154 120.291 120.500 -0.092 0.000 2.096 317 R HA -0.135 4.205 4.340 0.000 0.000 0.235 317 R C 2.377 178.647 176.300 -0.050 0.000 1.127 317 R CA 1.419 57.487 56.100 -0.054 0.000 0.968 317 R CB -0.324 29.955 30.300 -0.035 0.000 0.861 317 R HN 0.360 nan 8.270 nan 0.000 0.440 318 A N 0.392 123.176 122.820 -0.061 0.000 1.970 318 A HA -0.074 4.247 4.320 0.000 0.000 0.216 318 A C 1.932 179.483 177.584 -0.054 0.000 1.170 318 A CA 0.652 52.659 52.037 -0.049 0.000 0.645 318 A CB -0.182 18.790 19.000 -0.047 0.000 0.816 318 A HN 0.226 nan 8.150 nan 0.000 0.447 319 L N -0.402 120.769 121.223 -0.087 0.000 2.095 319 L HA 0.058 4.398 4.340 0.000 0.000 0.204 319 L C 2.187 179.031 176.870 -0.044 0.000 1.080 319 L CA 1.336 56.123 54.840 -0.089 0.000 0.759 319 L CB -0.518 41.432 42.059 -0.181 0.000 0.914 319 L HN 0.358 nan 8.230 nan 0.000 0.439 320 L N 0.061 121.257 121.223 -0.044 0.000 2.021 320 L HA -0.223 4.117 4.340 0.000 0.000 0.215 320 L C -0.318 176.566 176.870 0.023 0.000 1.074 320 L CA 1.824 56.677 54.840 0.021 0.000 0.760 320 L CB -1.843 40.228 42.059 0.020 0.000 0.889 320 L HN 0.288 nan 8.230 nan 0.000 0.433 321 P HA -0.112 nan 4.420 nan 0.000 0.226 321 P C 1.574 178.876 177.300 0.004 0.000 1.153 321 P CA 1.180 64.282 63.100 0.005 0.000 0.777 321 P CB 0.078 31.777 31.700 -0.001 0.000 0.794 322 L N -2.079 119.146 121.223 0.004 0.000 2.446 322 L HA 0.068 4.408 4.340 0.000 0.000 0.219 322 L C 0.626 177.501 176.870 0.009 0.000 1.116 322 L CA 0.132 54.974 54.840 0.003 0.000 0.844 322 L CB -0.098 41.961 42.059 -0.001 0.000 0.970 322 L HN -0.243 nan 8.230 nan 0.000 0.457 323 V N 0.804 120.733 119.914 0.026 0.000 2.432 323 V HA 0.105 4.225 4.120 0.000 0.000 0.275 323 V C 0.371 176.469 176.094 0.006 0.000 1.043 323 V CA -0.546 61.775 62.300 0.035 0.000 0.925 323 V CB 1.403 33.294 31.823 0.112 0.000 0.985 323 V HN 0.151 nan 8.190 nan 0.000 0.466 324 E N 3.361 123.547 120.200 -0.024 0.000 2.354 324 E HA 0.143 4.493 4.350 0.000 0.000 0.269 324 E C 0.052 176.623 176.600 -0.047 0.000 1.036 324 E CA -0.329 56.047 56.400 -0.040 0.000 0.876 324 E CB 0.781 30.442 29.700 -0.065 0.000 1.009 324 E HN 0.677 nan 8.360 nan 0.000 0.416 325 E N 3.233 123.408 120.200 -0.041 0.000 2.376 325 E HA -0.007 4.343 4.350 0.000 0.000 0.266 325 E C -0.674 175.891 176.600 -0.058 0.000 1.009 325 E CA 0.106 56.477 56.400 -0.049 0.000 0.902 325 E CB 0.577 30.257 29.700 -0.033 0.000 0.972 325 E HN 0.241 nan 8.360 nan 0.000 0.439 326 K N 2.281 122.638 120.400 -0.071 0.000 2.156 326 K HA 0.308 4.628 4.320 0.000 0.000 0.271 326 K C 0.167 176.740 176.600 -0.045 0.000 0.995 326 K CA -0.277 55.971 56.287 -0.066 0.000 0.890 326 K CB 1.833 34.285 32.500 -0.080 0.000 1.073 326 K HN 0.465 nan 8.250 nan 0.000 0.454 327 A N 1.711 124.511 122.820 -0.032 0.000 2.030 327 A HA -0.074 4.246 4.320 0.000 0.000 0.215 327 A C 0.609 178.188 177.584 -0.008 0.000 1.164 327 A CA 0.649 52.676 52.037 -0.017 0.000 0.697 327 A CB -0.126 18.867 19.000 -0.013 0.000 0.827 327 A HN 0.758 nan 8.150 nan 0.000 0.457 328 D N 0.728 121.122 120.400 -0.010 0.000 2.338 328 D HA 0.201 4.841 4.640 0.000 0.000 0.255 328 D C 0.851 177.162 176.300 0.018 0.000 1.237 328 D CA -0.103 53.899 54.000 0.004 0.000 0.883 328 D CB 0.360 41.160 40.800 0.000 0.000 1.087 328 D HN 0.469 nan 8.370 nan 0.000 0.485 329 R N 2.274 122.793 120.500 0.031 0.000 2.596 329 R HA 0.266 4.606 4.340 0.000 0.000 0.369 329 R C 1.028 177.363 176.300 0.059 0.000 1.042 329 R CA -0.567 55.560 56.100 0.045 0.000 1.120 329 R CB 0.199 30.520 30.300 0.036 0.000 1.353 329 R HN 0.117 nan 8.270 nan 0.000 0.564 330 K N 0.618 121.061 120.400 0.071 0.000 2.032 330 K HA -0.133 4.188 4.320 0.000 0.000 0.209 330 K C 1.325 177.995 176.600 0.116 0.000 1.048 330 K CA 1.857 58.192 56.287 0.079 0.000 0.927 330 K CB -0.241 32.307 32.500 0.079 0.000 0.712 330 K HN 0.089 nan 8.250 nan 0.000 0.441 331 F N 1.708 121.654 119.950 -0.007 0.000 2.102 331 F HA -0.188 4.339 4.527 0.000 0.000 0.298 331 F C 1.956 177.757 175.800 0.002 0.000 1.105 331 F CA 1.050 59.045 58.000 -0.007 0.000 1.239 331 F CB -0.472 38.517 39.000 -0.019 0.000 0.991 331 F HN -0.066 nan 8.300 nan 0.000 0.474 332 L N 0.696 121.902 121.223 -0.028 0.000 2.012 332 L HA -0.215 4.125 4.340 0.000 0.000 0.210 332 L C 1.958 178.770 176.870 -0.096 0.000 1.073 332 L CA 2.219 56.999 54.840 -0.101 0.000 0.748 332 L CB -1.259 40.816 42.059 0.026 0.000 0.891 332 L HN 0.047 nan 8.230 nan 0.000 0.431 333 D N -0.423 119.956 120.400 -0.035 0.000 2.117 333 D HA -0.205 4.435 4.640 0.000 0.000 0.197 333 D C 2.149 178.425 176.300 -0.040 0.000 0.987 333 D CA 1.284 55.271 54.000 -0.021 0.000 0.829 333 D CB -0.032 40.770 40.800 0.004 0.000 0.961 333 D HN 0.255 nan 8.370 nan 0.000 0.460 334 K N 1.110 121.471 120.400 -0.064 0.000 2.057 334 K HA -0.005 4.315 4.320 0.000 0.000 0.206 334 K C 1.827 178.367 176.600 -0.100 0.000 1.050 334 K CA 1.409 57.658 56.287 -0.064 0.000 0.935 334 K CB -0.499 31.974 32.500 -0.044 0.000 0.715 334 K HN 0.003 nan 8.250 nan 0.000 0.439 335 A N 0.744 123.428 122.820 -0.226 0.000 1.908 335 A HA -0.118 4.202 4.320 0.000 0.000 0.218 335 A C 2.220 179.778 177.584 -0.043 0.000 1.181 335 A CA 1.665 53.581 52.037 -0.202 0.000 0.627 335 A CB -0.735 18.037 19.000 -0.379 0.000 0.818 335 A HN 0.333 nan 8.150 nan 0.000 0.445 336 L N -1.075 120.127 121.223 -0.035 0.000 2.083 336 L HA -0.186 4.155 4.340 0.000 0.000 0.209 336 L C 2.647 179.580 176.870 0.104 0.000 1.083 336 L CA 1.717 56.586 54.840 0.048 0.000 0.752 336 L CB -0.435 41.630 42.059 0.010 0.000 0.899 336 L HN 0.570 nan 8.230 nan 0.000 0.433 337 E N 0.133 120.362 120.200 0.049 0.000 2.072 337 E HA -0.224 4.127 4.350 0.000 0.000 0.191 337 E C 1.642 178.280 176.600 0.063 0.000 0.985 337 E CA 1.170 57.597 56.400 0.046 0.000 0.801 337 E CB 0.187 29.900 29.700 0.021 0.000 0.750 337 E HN 0.389 nan 8.360 nan 0.000 0.452 338 D N -0.280 120.166 120.400 0.076 0.000 2.149 338 D HA -0.191 4.449 4.640 0.000 0.000 0.198 338 D C 1.613 178.003 176.300 0.149 0.000 0.990 338 D CA 0.877 54.944 54.000 0.112 0.000 0.839 338 D CB -0.371 40.511 40.800 0.137 0.000 0.948 338 D HN 0.278 nan 8.370 nan 0.000 0.460 339 Y N 2.191 122.518 120.300 0.044 0.000 2.145 339 Y HA -0.242 4.308 4.550 0.000 0.000 0.286 339 Y C 2.256 178.184 175.900 0.048 0.000 1.145 339 Y CA 2.129 60.272 58.100 0.071 0.000 1.148 339 Y CB -0.154 38.336 38.460 0.051 0.000 0.981 339 Y HN -0.073 nan 8.280 nan 0.000 0.507 340 R N -0.014 120.461 120.500 -0.041 0.000 2.115 340 R HA -0.104 4.236 4.340 0.000 0.000 0.230 340 R C 1.524 177.737 176.300 -0.146 0.000 1.111 340 R CA 1.878 57.885 56.100 -0.154 0.000 0.976 340 R CB -0.913 29.368 30.300 -0.032 0.000 0.870 340 R HN 0.201 nan 8.270 nan 0.000 0.445 341 D N 1.240 121.599 120.400 -0.068 0.000 2.097 341 D HA -0.086 4.554 4.640 0.000 0.000 0.195 341 D C 1.989 178.239 176.300 -0.083 0.000 0.989 341 D CA 1.920 55.890 54.000 -0.050 0.000 0.827 341 D CB -0.428 40.375 40.800 0.005 0.000 0.966 341 D HN 0.398 nan 8.370 nan 0.000 0.456 342 A N 0.949 123.720 122.820 -0.081 0.000 1.877 342 A HA -0.190 4.130 4.320 0.000 0.000 0.216 342 A C 2.214 179.630 177.584 -0.280 0.000 1.186 342 A CA 1.846 53.826 52.037 -0.095 0.000 0.620 342 A CB -0.504 18.553 19.000 0.095 0.000 0.822 342 A HN 0.081 nan 8.150 nan 0.000 0.443 343 R N 0.259 120.498 120.500 -0.436 0.000 2.127 343 R HA -0.134 4.206 4.340 0.000 0.000 0.238 343 R C 2.105 178.235 176.300 -0.282 0.000 1.134 343 R CA 2.097 57.905 56.100 -0.487 0.000 0.975 343 R CB -0.373 29.528 30.300 -0.666 0.000 0.865 343 R HN 0.602 nan 8.270 nan 0.000 0.447 344 K N -1.117 119.160 120.400 -0.205 0.000 2.103 344 K HA -0.040 4.280 4.320 0.000 0.000 0.204 344 K C 1.874 178.414 176.600 -0.100 0.000 1.052 344 K CA 1.431 57.644 56.287 -0.124 0.000 0.945 344 K CB -0.381 32.063 32.500 -0.092 0.000 0.722 344 K HN 0.312 nan 8.250 nan 0.000 0.443 345 G N 1.450 110.186 108.800 -0.107 0.000 2.418 345 G HA2 -0.210 3.751 3.960 0.000 0.000 0.217 345 G HA3 -0.210 3.751 3.960 0.000 0.000 0.217 345 G C 1.342 176.198 174.900 -0.074 0.000 1.158 345 G CA 0.450 45.504 45.100 -0.078 0.000 0.771 345 G HN 0.152 nan 8.290 nan 0.000 0.545 346 L N 1.283 122.424 121.223 -0.136 0.000 2.042 346 L HA -0.049 4.292 4.340 0.000 0.000 0.210 346 L C 2.317 179.236 176.870 0.082 0.000 1.076 346 L CA 1.627 56.406 54.840 -0.102 0.000 0.749 346 L CB -0.796 41.025 42.059 -0.396 0.000 0.893 346 L HN 0.142 nan 8.230 nan 0.000 0.432 347 D N -0.704 119.701 120.400 0.007 0.000 2.178 347 D HA -0.146 4.494 4.640 0.000 0.000 0.202 347 D C 1.749 178.057 176.300 0.012 0.000 0.974 347 D CA 0.840 54.867 54.000 0.045 0.000 0.841 347 D CB -0.091 40.701 40.800 -0.014 0.000 0.953 347 D HN 0.304 nan 8.370 nan 0.000 0.478 348 D N -0.058 120.331 120.400 -0.019 0.000 2.219 348 D HA -0.042 4.598 4.640 0.000 0.000 0.205 348 D C 2.071 178.332 176.300 -0.065 0.000 0.970 348 D CA 0.285 54.261 54.000 -0.042 0.000 0.851 348 D CB -0.012 40.759 40.800 -0.047 0.000 0.943 348 D HN 0.262 nan 8.370 nan 0.000 0.488 349 L N 0.055 121.243 121.223 -0.058 0.000 2.395 349 L HA 0.068 4.408 4.340 0.000 0.000 0.218 349 L C 1.342 178.107 176.870 -0.176 0.000 1.130 349 L CA 0.253 55.009 54.840 -0.140 0.000 0.826 349 L CB -0.009 42.002 42.059 -0.080 0.000 0.941 349 L HN -0.110 nan 8.230 nan 0.000 0.451 350 A N 0.491 123.252 122.820 -0.098 0.000 3.282 350 A HA 0.294 4.614 4.320 0.000 0.000 0.287 350 A C 0.116 177.728 177.584 0.047 0.000 1.366 350 A CA -0.307 51.670 52.037 -0.099 0.000 1.069 350 A CB -0.365 18.517 19.000 -0.197 0.000 1.109 350 A HN 0.091 nan 8.150 nan 0.000 0.638 351 K N 1.318 121.695 120.400 -0.038 0.000 2.208 351 K HA 0.511 4.831 4.320 0.000 0.000 0.247 351 K C -2.902 173.378 176.600 -0.534 0.000 0.953 351 K CA -2.112 54.068 56.287 -0.179 0.000 0.837 351 K CB 1.959 34.391 32.500 -0.114 0.000 1.131 351 K HN 0.176 nan 8.250 nan 0.000 0.431 352 P HA 0.072 nan 4.420 nan 0.000 0.274 352 P C -0.706 176.329 177.300 -0.441 0.000 1.231 352 P CA -0.211 62.309 63.100 -0.966 0.000 0.790 352 P CB 1.211 32.468 31.700 -0.739 0.000 0.951 353 S N -0.256 115.219 115.700 -0.375 0.000 2.596 353 S HA 0.239 4.709 4.470 0.000 0.000 0.270 353 S C 0.402 174.876 174.600 -0.210 0.000 1.155 353 S CA -0.486 57.564 58.200 -0.250 0.000 0.827 353 S CB 1.303 64.343 63.200 -0.266 0.000 1.130 353 S HN 0.353 nan 8.310 nan 0.000 0.467 354 E N 0.583 120.693 120.200 -0.150 0.000 2.385 354 E HA 0.134 4.484 4.350 0.000 0.000 0.194 354 E C 1.099 177.627 176.600 -0.119 0.000 1.013 354 E CA 0.280 56.609 56.400 -0.120 0.000 0.866 354 E CB 0.177 29.825 29.700 -0.087 0.000 0.832 354 E HN 0.356 nan 8.360 nan 0.000 0.500 355 K N 0.435 120.754 120.400 -0.136 0.000 2.001 355 K HA 0.074 4.394 4.320 0.000 0.000 0.208 355 K C 0.124 176.638 176.600 -0.143 0.000 1.048 355 K CA 1.111 57.326 56.287 -0.121 0.000 0.932 355 K CB 0.301 32.737 32.500 -0.106 0.000 0.715 355 K HN 0.102 nan 8.250 nan 0.000 0.437 356 A N -0.884 121.800 122.820 -0.226 0.000 2.549 356 A HA 0.427 4.747 4.320 0.000 0.000 0.291 356 A C -1.496 175.886 177.584 -0.336 0.000 1.034 356 A CA -0.863 51.046 52.037 -0.213 0.000 0.655 356 A CB 0.462 19.370 19.000 -0.154 0.000 1.299 356 A HN 0.060 nan 8.150 nan 0.000 0.427 357 I N 2.995 123.428 120.570 -0.228 0.000 2.312 357 I HA 0.237 4.407 4.170 0.000 0.000 0.291 357 I C -0.229 175.769 176.117 -0.199 0.000 1.031 357 I CA -0.552 60.622 61.300 -0.210 0.000 1.293 357 I CB 0.617 38.554 38.000 -0.105 0.000 1.403 357 I HN 0.507 nan 8.210 nan 0.000 0.484 358 H N 8.646 127.660 119.070 -0.093 0.000 2.975 358 H HA 0.073 4.629 4.556 0.000 0.000 0.303 358 H C -1.465 173.729 175.328 -0.224 0.000 1.023 358 H CA -2.025 53.930 56.048 -0.156 0.000 1.473 358 H CB 0.541 30.195 29.762 -0.180 0.000 1.498 358 H HN 0.422 nan 8.280 nan 0.000 0.549 359 P HA -0.177 nan 4.420 nan 0.000 0.219 359 P C 1.239 178.158 177.300 -0.636 0.000 1.146 359 P CA 1.129 64.033 63.100 -0.326 0.000 0.808 359 P CB 0.421 31.951 31.700 -0.284 0.000 0.779 360 Q N -1.003 118.263 119.800 -0.890 0.000 2.172 360 Q HA -0.187 4.153 4.340 0.000 0.000 0.200 360 Q C 2.189 177.756 176.000 -0.721 0.000 0.964 360 Q CA 1.113 56.288 55.803 -1.047 0.000 0.855 360 Q CB -1.605 26.461 28.738 -1.120 0.000 0.918 360 Q HN 0.237 nan 8.270 nan 0.000 0.444 361 Y N 2.234 122.252 120.300 -0.470 0.000 2.128 361 Y HA -0.233 4.317 4.550 0.000 0.000 0.284 361 Y C 2.229 177.992 175.900 -0.229 0.000 1.154 361 Y CA 1.488 59.413 58.100 -0.291 0.000 1.149 361 Y CB -0.462 37.897 38.460 -0.169 0.000 0.976 361 Y HN 0.154 nan 8.280 nan 0.000 0.505 362 L N 0.794 121.835 121.223 -0.303 0.000 2.012 362 L HA -0.119 4.221 4.340 0.000 0.000 0.210 362 L C 2.426 179.177 176.870 -0.198 0.000 1.073 362 L CA 2.336 56.967 54.840 -0.348 0.000 0.748 362 L CB -1.417 40.405 42.059 -0.396 0.000 0.891 362 L HN 0.261 nan 8.230 nan 0.000 0.431 363 A N -1.073 121.705 122.820 -0.071 0.000 1.902 363 A HA -0.282 4.038 4.320 0.000 0.000 0.217 363 A C 2.339 179.924 177.584 0.002 0.000 1.181 363 A CA 1.746 53.846 52.037 0.105 0.000 0.623 363 A CB -0.771 18.351 19.000 0.203 0.000 0.818 363 A HN 0.691 nan 8.150 nan 0.000 0.443 364 Q N -1.062 118.640 119.800 -0.162 0.000 2.124 364 Q HA -0.236 4.104 4.340 0.000 0.000 0.202 364 Q C 1.986 177.936 176.000 -0.084 0.000 0.977 364 Q CA 1.638 57.386 55.803 -0.091 0.000 0.850 364 Q CB -0.114 28.530 28.738 -0.157 0.000 0.901 364 Q HN 0.639 nan 8.270 nan 0.000 0.429 365 Q N 0.101 119.789 119.800 -0.186 0.000 2.187 365 Q HA -0.034 4.306 4.340 0.000 0.000 0.199 365 Q C 2.152 178.251 176.000 0.166 0.000 0.957 365 Q CA 0.734 56.484 55.803 -0.089 0.000 0.857 365 Q CB -0.068 28.529 28.738 -0.236 0.000 0.929 365 Q HN 0.503 nan 8.270 nan 0.000 0.453 366 I N 0.437 121.102 120.570 0.159 0.000 2.163 366 I HA -0.291 3.879 4.170 0.000 0.000 0.243 366 I C 2.518 178.839 176.117 0.341 0.000 1.085 366 I CA 1.270 62.776 61.300 0.343 0.000 1.347 366 I CB -0.329 37.867 38.000 0.326 0.000 1.044 366 I HN 0.135 nan 8.210 nan 0.000 0.408 367 S N -0.350 115.448 115.700 0.162 0.000 2.382 367 S HA -0.296 4.174 4.470 0.000 0.000 0.228 367 S C 2.113 176.788 174.600 0.126 0.000 1.027 367 S CA 1.766 60.025 58.200 0.099 0.000 0.991 367 S CB -0.374 62.837 63.200 0.019 0.000 0.823 367 S HN 0.555 nan 8.310 nan 0.000 0.469 368 H N -0.510 118.533 119.070 -0.046 0.000 2.357 368 H HA 0.070 4.626 4.556 0.000 0.000 0.301 368 H C 1.276 176.483 175.328 -0.201 0.000 1.082 368 H CA 2.096 58.012 56.048 -0.219 0.000 1.342 368 H CB -0.295 29.182 29.762 -0.475 0.000 1.389 368 H HN 0.494 nan 8.280 nan 0.000 0.511 369 F N 0.091 120.112 119.950 0.118 0.000 2.714 369 F HA 0.411 4.938 4.527 0.000 0.000 0.294 369 F C 1.612 177.563 175.800 0.252 0.000 1.120 369 F CA 0.373 58.458 58.000 0.142 0.000 1.398 369 F CB -0.387 38.757 39.000 0.240 0.000 1.120 369 F HN 0.180 nan 8.300 nan 0.000 0.589 370 A N 0.843 123.887 122.820 0.372 0.000 2.406 370 A HA 0.567 4.887 4.320 0.000 0.000 0.243 370 A C 0.680 178.231 177.584 -0.056 0.000 1.082 370 A CA -0.109 51.904 52.037 -0.040 0.000 0.786 370 A CB -0.243 18.812 19.000 0.093 0.000 1.029 370 A HN 0.245 nan 8.150 nan 0.000 0.495 371 A N 0.579 123.275 122.820 -0.206 0.000 2.507 371 A HA 0.323 4.643 4.320 0.000 0.000 0.235 371 A C 0.870 178.412 177.584 -0.069 0.000 1.070 371 A CA 0.449 52.409 52.037 -0.128 0.000 0.768 371 A CB -0.068 18.828 19.000 -0.174 0.000 1.011 371 A HN 1.002 nan 8.150 nan 0.000 0.502 372 D N -0.130 120.242 120.400 -0.047 0.000 2.363 372 D HA -0.050 4.590 4.640 0.000 0.000 0.226 372 D C 0.113 176.385 176.300 -0.047 0.000 1.020 372 D CA 0.921 54.905 54.000 -0.028 0.000 0.892 372 D CB 0.130 40.915 40.800 -0.025 0.000 0.900 372 D HN 0.505 nan 8.370 nan 0.000 0.531 373 D N -0.642 119.711 120.400 -0.078 0.000 2.650 373 D HA 0.278 4.918 4.640 0.000 0.000 0.265 373 D C 0.186 176.394 176.300 -0.152 0.000 1.339 373 D CA -0.732 53.212 54.000 -0.094 0.000 0.816 373 D CB -0.453 40.297 40.800 -0.083 0.000 1.091 373 D HN 0.197 nan 8.370 nan 0.000 0.483 374 A N 0.541 123.224 122.820 -0.229 0.000 2.466 374 A HA 0.432 4.753 4.320 0.000 0.000 0.238 374 A C 0.235 177.518 177.584 -0.502 0.000 1.074 374 A CA -0.114 51.640 52.037 -0.471 0.000 0.774 374 A CB 0.179 18.694 19.000 -0.809 0.000 1.015 374 A HN 0.398 nan 8.150 nan 0.000 0.498 375 I N 1.498 121.776 120.570 -0.487 0.000 2.321 375 I HA 0.321 4.491 4.170 0.000 0.000 0.291 375 I C -1.017 174.848 176.117 -0.419 0.000 0.998 375 I CA 0.029 61.141 61.300 -0.314 0.000 1.227 375 I CB 0.872 38.776 38.000 -0.160 0.000 1.368 375 I HN 0.490 nan 8.210 nan 0.000 0.466 376 F N 3.747 123.695 119.950 -0.003 0.000 2.443 376 F HA 0.530 5.057 4.527 0.000 0.000 0.335 376 F C 0.740 176.555 175.800 0.025 0.000 1.104 376 F CA -0.630 57.384 58.000 0.024 0.000 1.013 376 F CB 1.946 40.978 39.000 0.053 0.000 1.136 376 F HN 0.349 nan 8.300 nan 0.000 0.470 377 T N -0.527 114.140 114.554 0.188 0.000 2.908 377 T HA 0.743 5.094 4.350 0.000 0.000 0.290 377 T C -0.835 173.923 174.700 0.096 0.000 1.034 377 T CA -0.886 61.266 62.100 0.087 0.000 1.010 377 T CB 1.382 70.249 68.868 -0.003 0.000 1.068 377 T HN 0.918 nan 8.240 nan 0.000 0.481 378 C N 1.119 120.435 119.300 0.027 0.000 2.686 378 C HA 0.702 5.162 4.460 0.000 0.000 0.318 378 C C -0.487 174.463 174.990 -0.066 0.000 1.160 378 C CA -1.032 57.994 59.018 0.015 0.000 1.396 378 C CB 0.691 28.474 27.740 0.073 0.000 1.924 378 C HN 0.901 nan 8.230 nan 0.000 0.471 379 D N 1.750 122.101 120.400 -0.082 0.000 2.414 379 D HA 0.245 4.886 4.640 0.000 0.000 0.242 379 D C 0.346 176.589 176.300 -0.096 0.000 1.129 379 D CA 0.260 54.194 54.000 -0.109 0.000 0.885 379 D CB 1.625 42.372 40.800 -0.089 0.000 1.198 379 D HN 0.560 nan 8.370 nan 0.000 0.437 380 V N 2.162 122.018 119.914 -0.095 0.000 2.599 380 V HA 0.447 4.567 4.120 0.000 0.000 0.300 380 V C 1.212 177.259 176.094 -0.079 0.000 1.034 380 V CA 1.279 63.542 62.300 -0.062 0.000 1.115 380 V CB 0.257 32.047 31.823 -0.055 0.000 0.934 380 V HN 0.873 nan 8.190 nan 0.000 0.485 381 G N 4.017 112.758 108.800 -0.098 0.000 2.298 381 G HA2 -0.050 3.910 3.960 0.000 0.000 0.309 381 G HA3 -0.050 3.910 3.960 0.000 0.000 0.309 381 G C 0.628 175.391 174.900 -0.228 0.000 1.279 381 G CA 0.342 45.366 45.100 -0.126 0.000 1.042 381 G HN 1.070 nan 8.290 nan 0.000 0.480 382 T N -1.390 113.009 114.554 -0.259 0.000 2.803 382 T HA -0.027 4.323 4.350 0.000 0.000 0.269 382 T C 0.120 174.365 174.700 -0.759 0.000 1.052 382 T CA 2.440 64.221 62.100 -0.533 0.000 1.136 382 T CB -1.051 67.679 68.868 -0.230 0.000 0.864 382 T HN 0.335 nan 8.240 nan 0.000 0.467 383 P HA -0.012 nan 4.420 nan 0.000 0.220 383 P C 1.601 178.726 177.300 -0.292 0.000 1.148 383 P CA 1.128 63.927 63.100 -0.502 0.000 0.803 383 P CB -0.390 31.061 31.700 -0.415 0.000 0.782 384 T N -0.882 113.544 114.554 -0.214 0.000 2.777 384 T HA -0.091 4.259 4.350 0.000 0.000 0.266 384 T C 1.796 176.398 174.700 -0.164 0.000 1.040 384 T CA 1.219 63.283 62.100 -0.061 0.000 1.141 384 T CB -0.941 67.952 68.868 0.041 0.000 0.868 384 T HN -0.099 nan 8.240 nan 0.000 0.444 385 V N 0.129 119.810 119.914 -0.388 0.000 2.287 385 V HA -0.199 3.921 4.120 0.000 0.000 0.248 385 V C 2.107 178.090 176.094 -0.186 0.000 1.053 385 V CA 1.551 63.582 62.300 -0.447 0.000 1.027 385 V CB -0.890 30.395 31.823 -0.896 0.000 0.646 385 V HN 0.655 nan 8.190 nan 0.000 0.447 386 W N -0.006 121.308 121.300 0.024 0.000 2.388 386 W HA 0.037 4.697 4.660 0.000 0.000 0.294 386 W C 2.657 179.259 176.519 0.138 0.000 1.212 386 W CA 0.458 57.894 57.345 0.150 0.000 1.271 386 W CB -0.474 29.017 29.460 0.052 0.000 1.126 386 W HN 0.177 nan 8.180 nan 0.000 0.535 387 A N 1.195 124.133 122.820 0.197 0.000 1.877 387 A HA -0.130 4.190 4.320 0.000 0.000 0.216 387 A C 2.101 179.728 177.584 0.072 0.000 1.186 387 A CA 2.457 54.555 52.037 0.103 0.000 0.620 387 A CB -1.338 17.705 19.000 0.073 0.000 0.822 387 A HN 0.215 nan 8.150 nan 0.000 0.443 388 A N -0.403 122.442 122.820 0.042 0.000 1.917 388 A HA -0.205 4.115 4.320 0.000 0.000 0.219 388 A C 2.264 179.891 177.584 0.070 0.000 1.182 388 A CA 1.813 53.867 52.037 0.028 0.000 0.633 388 A CB -0.404 18.583 19.000 -0.022 0.000 0.819 388 A HN 0.571 nan 8.150 nan 0.000 0.448 389 R N -3.236 117.282 120.500 0.029 0.000 2.223 389 R HA 0.121 4.461 4.340 0.000 0.000 0.198 389 R C 0.882 176.859 176.300 -0.538 0.000 0.984 389 R CA 0.924 56.873 56.100 -0.252 0.000 1.018 389 R CB 0.036 30.104 30.300 -0.386 0.000 0.945 389 R HN 0.672 nan 8.270 nan 0.000 0.479 390 Y N -0.557 119.784 120.300 0.069 0.000 2.432 390 Y HA 0.276 4.826 4.550 0.000 0.000 0.252 390 Y C 0.368 176.254 175.900 -0.024 0.000 1.097 390 Y CA -0.444 57.669 58.100 0.023 0.000 1.250 390 Y CB 0.767 39.254 38.460 0.044 0.000 1.245 390 Y HN -0.179 nan 8.280 nan 0.000 0.522 391 L N 2.441 123.688 121.223 0.041 0.000 2.361 391 L HA 0.142 4.482 4.340 0.000 0.000 0.278 391 L C 0.282 177.115 176.870 -0.062 0.000 1.113 391 L CA -0.062 54.705 54.840 -0.122 0.000 0.849 391 L CB 0.744 42.622 42.059 -0.301 0.000 1.155 391 L HN 0.025 nan 8.230 nan 0.000 0.452 392 K N 4.685 125.062 120.400 -0.039 0.000 2.276 392 K HA 0.322 4.642 4.320 0.000 0.000 0.285 392 K C -0.377 176.230 176.600 0.012 0.000 1.062 392 K CA -0.671 55.625 56.287 0.014 0.000 0.918 392 K CB 0.660 33.185 32.500 0.041 0.000 1.055 392 K HN 0.404 nan 8.250 nan 0.000 0.477 393 M N 2.902 122.520 119.600 0.030 0.000 2.368 393 M HA 0.180 4.660 4.480 0.000 0.000 0.311 393 M C 0.479 176.761 176.300 -0.029 0.000 1.168 393 M CA -0.430 54.874 55.300 0.007 0.000 1.044 393 M CB 0.907 33.523 32.600 0.027 0.000 1.506 393 M HN 0.786 nan 8.290 nan 0.000 0.475 394 N N -1.344 117.204 118.700 -0.253 0.000 2.036 394 N HA 0.194 4.935 4.740 0.000 0.000 0.224 394 N C 0.639 175.579 175.510 -0.949 0.000 1.381 394 N CA 0.487 53.300 53.050 -0.396 0.000 0.746 394 N CB 0.117 38.508 38.487 -0.159 0.000 1.213 394 N HN 0.927 nan 8.380 nan 0.000 0.524 395 G N 0.518 108.503 108.800 -1.359 0.000 2.195 395 G HA2 -0.355 3.605 3.960 0.000 0.000 0.246 395 G HA3 -0.355 3.605 3.960 0.000 0.000 0.246 395 G C 0.793 175.442 174.900 -0.419 0.000 0.984 395 G CA 0.775 45.188 45.100 -1.145 0.000 0.633 395 G HN 0.470 nan 8.290 nan 0.000 0.525 396 K N -0.473 119.744 120.400 -0.304 0.000 2.380 396 K HA 0.279 4.599 4.320 0.000 0.000 0.200 396 K C 1.411 177.947 176.600 -0.107 0.000 1.201 396 K CA -0.353 55.841 56.287 -0.156 0.000 0.916 396 K CB 0.399 32.827 32.500 -0.120 0.000 1.187 396 K HN 0.260 nan 8.250 nan 0.000 0.498 397 R N 1.489 121.937 120.500 -0.087 0.000 2.756 397 R HA 0.125 4.465 4.340 0.000 0.000 0.264 397 R C -0.098 176.208 176.300 0.010 0.000 1.026 397 R CA 0.375 56.478 56.100 0.006 0.000 1.121 397 R CB 0.383 30.770 30.300 0.145 0.000 0.999 397 R HN -0.035 nan 8.270 nan 0.000 0.449 398 R N 1.192 121.733 120.500 0.068 0.000 2.795 398 R HA 0.466 4.806 4.340 0.000 0.000 0.275 398 R C -1.345 175.061 176.300 0.177 0.000 0.981 398 R CA -1.235 54.902 56.100 0.062 0.000 0.917 398 R CB 1.599 31.911 30.300 0.020 0.000 1.202 398 R HN 0.303 nan 8.270 nan 0.000 0.469 399 L N 2.723 124.033 121.223 0.145 0.000 2.404 399 L HA 0.517 4.857 4.340 0.000 0.000 0.272 399 L C -1.495 175.504 176.870 0.215 0.000 0.980 399 L CA -0.292 54.681 54.840 0.223 0.000 0.836 399 L CB 1.347 43.530 42.059 0.207 0.000 1.238 399 L HN 0.460 nan 8.230 nan 0.000 0.408 400 L N 4.605 125.918 121.223 0.150 0.000 2.342 400 L HA 1.017 5.357 4.340 0.000 0.000 0.271 400 L C 0.356 177.104 176.870 -0.204 0.000 1.008 400 L CA -0.542 54.309 54.840 0.017 0.000 0.818 400 L CB 1.766 43.810 42.059 -0.024 0.000 1.296 400 L HN 0.766 nan 8.230 nan 0.000 0.427 401 G N -0.116 108.275 108.800 -0.682 0.000 2.706 401 G HA2 0.314 4.274 3.960 0.000 0.000 0.307 401 G HA3 0.314 4.274 3.960 0.000 0.000 0.307 401 G C -1.404 172.977 174.900 -0.864 0.000 1.307 401 G CA -0.261 44.187 45.100 -1.087 0.000 0.790 401 G HN 0.352 nan 8.290 nan 0.000 0.503 402 S N 0.045 115.345 115.700 -0.668 0.000 2.497 402 S HA 0.416 4.886 4.470 0.000 0.000 0.193 402 S C 0.391 174.918 174.600 -0.121 0.000 1.360 402 S CA -0.662 57.401 58.200 -0.228 0.000 1.204 402 S CB -0.670 62.526 63.200 -0.006 0.000 1.171 402 S HN 0.369 nan 8.310 nan 0.000 0.502 403 F N 1.312 121.297 119.950 0.058 0.000 2.367 403 F HA 0.174 4.701 4.527 0.000 0.000 0.298 403 F C 2.130 177.952 175.800 0.037 0.000 1.094 403 F CA 0.328 58.353 58.000 0.041 0.000 1.409 403 F CB -0.311 38.717 39.000 0.047 0.000 1.064 403 F HN 0.413 nan 8.300 nan 0.000 0.528 404 N N -1.340 117.480 118.700 0.200 0.000 2.428 404 N HA -0.093 4.647 4.740 0.000 0.000 0.181 404 N C 1.767 177.368 175.510 0.151 0.000 1.028 404 N CA 0.879 54.007 53.050 0.130 0.000 0.877 404 N CB -0.546 37.988 38.487 0.078 0.000 1.064 404 N HN 0.227 nan 8.380 nan 0.000 0.434 405 H N 0.114 119.224 119.070 0.066 0.000 2.470 405 H HA 0.171 4.727 4.556 0.000 0.000 0.289 405 H C 0.624 175.984 175.328 0.053 0.000 1.033 405 H CA 1.235 57.328 56.048 0.074 0.000 1.331 405 H CB -0.323 29.502 29.762 0.105 0.000 1.414 405 H HN 0.296 nan 8.280 nan 0.000 0.545 406 G N 0.573 109.372 108.800 -0.001 0.000 2.246 406 G HA2 -0.273 3.687 3.960 0.000 0.000 0.273 406 G HA3 -0.273 3.687 3.960 0.000 0.000 0.273 406 G C 0.057 174.882 174.900 -0.125 0.000 1.055 406 G CA 0.665 45.732 45.100 -0.055 0.000 0.851 406 G HN 0.663 nan 8.290 nan 0.000 0.500 407 S N -0.326 115.333 115.700 -0.069 0.000 2.499 407 S HA 0.677 5.147 4.470 0.000 0.000 0.279 407 S C 1.218 175.801 174.600 -0.029 0.000 1.219 407 S CA -0.540 57.645 58.200 -0.025 0.000 1.062 407 S CB 0.353 63.687 63.200 0.223 0.000 0.978 407 S HN 0.390 nan 8.310 nan 0.000 0.489 408 M N 3.772 123.341 119.600 -0.050 0.000 2.243 408 M HA 0.154 4.635 4.480 0.000 0.000 0.309 408 M C 1.280 177.510 176.300 -0.116 0.000 1.050 408 M CA 1.231 56.488 55.300 -0.073 0.000 1.139 408 M CB 0.017 32.584 32.600 -0.054 0.000 1.457 408 M HN 1.099 nan 8.290 nan 0.000 0.440 409 A N 0.846 123.569 122.820 -0.161 0.000 3.028 409 A HA -0.176 4.144 4.320 0.000 0.000 0.248 409 A C 1.042 178.362 177.584 -0.440 0.000 1.316 409 A CA 1.126 53.031 52.037 -0.221 0.000 1.003 409 A CB -2.555 16.344 19.000 -0.168 0.000 1.148 409 A HN 1.022 nan 8.150 nan 0.000 0.828 410 N N 0.043 118.419 118.700 -0.539 0.000 2.376 410 N HA 0.150 4.890 4.740 0.000 0.000 0.177 410 N C 1.684 176.863 175.510 -0.552 0.000 1.024 410 N CA 1.377 53.866 53.050 -0.934 0.000 0.893 410 N CB -0.612 37.475 38.487 -0.665 0.000 0.980 410 N HN 1.095 nan 8.380 nan 0.000 0.439 411 A N 2.263 124.901 122.820 -0.304 0.000 1.858 411 A HA -0.096 4.224 4.320 0.000 0.000 0.216 411 A C 2.392 179.907 177.584 -0.114 0.000 1.190 411 A CA 1.663 53.601 52.037 -0.165 0.000 0.617 411 A CB -0.697 18.261 19.000 -0.071 0.000 0.827 411 A HN 0.415 nan 8.150 nan 0.000 0.443 412 M N -0.221 119.334 119.600 -0.074 0.000 2.132 412 M HA -0.038 4.442 4.480 0.000 0.000 0.263 412 M C -1.058 175.207 176.300 -0.058 0.000 1.065 412 M CA 1.907 57.210 55.300 0.005 0.000 1.122 412 M CB -0.849 31.818 32.600 0.112 0.000 1.365 412 M HN 0.137 nan 8.290 nan 0.000 0.411 413 P HA -0.137 nan 4.420 nan 0.000 0.215 413 P C 1.078 178.280 177.300 -0.164 0.000 1.153 413 P CA 1.472 64.481 63.100 -0.152 0.000 0.853 413 P CB -0.141 31.428 31.700 -0.218 0.000 0.788 414 Q N -0.826 118.857 119.800 -0.196 0.000 2.124 414 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 414 Q C 2.214 178.149 176.000 -0.107 0.000 0.977 414 Q CA 1.515 57.230 55.803 -0.146 0.000 0.850 414 Q CB -0.683 27.972 28.738 -0.138 0.000 0.901 414 Q HN 0.167 nan 8.270 nan 0.000 0.429 415 A N 0.682 123.458 122.820 -0.072 0.000 1.933 415 A HA -0.187 4.133 4.320 0.000 0.000 0.218 415 A C 1.993 179.570 177.584 -0.012 0.000 1.175 415 A CA 1.041 53.062 52.037 -0.027 0.000 0.628 415 A CB -0.534 18.473 19.000 0.011 0.000 0.814 415 A HN 0.280 nan 8.150 nan 0.000 0.444 416 L N -0.053 121.160 121.223 -0.017 0.000 2.012 416 L HA -0.097 4.243 4.340 0.000 0.000 0.210 416 L C 2.595 179.483 176.870 0.030 0.000 1.073 416 L CA 2.163 57.020 54.840 0.030 0.000 0.748 416 L CB -1.189 40.882 42.059 0.020 0.000 0.891 416 L HN 0.369 nan 8.230 nan 0.000 0.431 417 G N -1.769 106.921 108.800 -0.183 0.000 2.402 417 G HA2 -0.191 3.769 3.960 0.000 0.000 0.216 417 G HA3 -0.191 3.769 3.960 0.000 0.000 0.216 417 G C 1.633 176.533 174.900 -0.000 0.000 1.162 417 G CA 0.791 45.747 45.100 -0.239 0.000 0.777 417 G HN 0.571 nan 8.290 nan 0.000 0.539 418 A N 0.326 123.129 122.820 -0.028 0.000 1.877 418 A HA -0.112 4.208 4.320 0.000 0.000 0.216 418 A C 2.322 179.919 177.584 0.022 0.000 1.186 418 A CA 2.287 54.320 52.037 -0.007 0.000 0.620 418 A CB -0.533 18.448 19.000 -0.031 0.000 0.822 418 A HN 0.397 nan 8.150 nan 0.000 0.443 419 Q N -0.255 119.563 119.800 0.030 0.000 2.124 419 Q HA -0.033 4.307 4.340 0.000 0.000 0.202 419 Q C 2.007 178.046 176.000 0.065 0.000 0.977 419 Q CA 2.104 57.928 55.803 0.034 0.000 0.850 419 Q CB -0.570 28.189 28.738 0.036 0.000 0.901 419 Q HN 0.574 nan 8.270 nan 0.000 0.429 420 A N -1.091 121.811 122.820 0.136 0.000 1.969 420 A HA -0.117 4.204 4.320 0.000 0.000 0.218 420 A C 2.190 179.838 177.584 0.106 0.000 1.169 420 A CA 1.748 53.871 52.037 0.143 0.000 0.635 420 A CB -0.687 18.477 19.000 0.272 0.000 0.810 420 A HN 0.466 nan 8.150 nan 0.000 0.445 421 T N 0.077 114.703 114.554 0.120 0.000 2.857 421 T HA -0.005 4.345 4.350 0.000 0.000 0.266 421 T C 0.480 175.201 174.700 0.034 0.000 1.048 421 T CA 0.993 63.141 62.100 0.080 0.000 1.139 421 T CB -0.021 68.893 68.868 0.077 0.000 0.874 421 T HN 0.408 nan 8.240 nan 0.000 0.455 422 E N 1.341 121.554 120.200 0.021 0.000 2.916 422 E HA 0.181 4.531 4.350 0.000 0.000 0.217 422 E C -2.025 174.571 176.600 -0.007 0.000 1.100 422 E CA -1.821 54.578 56.400 -0.002 0.000 0.891 422 E CB 1.378 31.068 29.700 -0.017 0.000 1.311 422 E HN 0.281 nan 8.360 nan 0.000 0.421 423 P HA -0.124 nan 4.420 nan 0.000 0.222 423 P C 0.742 178.033 177.300 -0.016 0.000 1.147 423 P CA 1.022 64.119 63.100 -0.005 0.000 0.790 423 P CB 0.572 32.269 31.700 -0.005 0.000 0.780 424 E N -0.767 119.421 120.200 -0.021 0.000 2.474 424 E HA 0.034 4.385 4.350 0.000 0.000 0.194 424 E C 0.878 177.453 176.600 -0.042 0.000 1.041 424 E CA 0.080 56.464 56.400 -0.027 0.000 0.874 424 E CB 0.037 29.723 29.700 -0.024 0.000 0.914 424 E HN 0.211 nan 8.360 nan 0.000 0.498 425 R N 1.223 121.692 120.500 -0.051 0.000 2.486 425 R HA 0.133 4.473 4.340 0.000 0.000 0.286 425 R C -0.080 176.156 176.300 -0.106 0.000 0.999 425 R CA -0.355 55.697 56.100 -0.079 0.000 0.993 425 R CB 0.898 31.152 30.300 -0.077 0.000 1.084 425 R HN -0.115 nan 8.270 nan 0.000 0.487 426 Q N 2.494 122.200 119.800 -0.156 0.000 2.304 426 Q HA 0.294 4.635 4.340 0.000 0.000 0.260 426 Q C -1.241 174.602 176.000 -0.261 0.000 0.965 426 Q CA -0.316 55.359 55.803 -0.213 0.000 0.898 426 Q CB 0.927 29.484 28.738 -0.302 0.000 1.196 426 Q HN 0.387 nan 8.270 nan 0.000 0.402 427 V N 4.835 124.625 119.914 -0.206 0.000 2.487 427 V HA 0.387 4.507 4.120 0.000 0.000 0.298 427 V C -0.691 175.311 176.094 -0.153 0.000 1.028 427 V CA -0.765 61.420 62.300 -0.192 0.000 0.860 427 V CB 1.913 33.681 31.823 -0.092 0.000 0.991 427 V HN 0.592 nan 8.190 nan 0.000 0.427 428 V N 4.006 123.808 119.914 -0.186 0.000 2.407 428 V HA 0.704 4.824 4.120 0.000 0.000 0.291 428 V C 0.366 176.531 176.094 0.118 0.000 1.018 428 V CA -0.602 61.695 62.300 -0.005 0.000 0.842 428 V CB 1.688 33.525 31.823 0.023 0.000 0.996 428 V HN 0.960 nan 8.190 nan 0.000 0.426 429 A N 6.647 129.546 122.820 0.133 0.000 2.260 429 A HA 0.742 5.063 4.320 0.000 0.000 0.312 429 A C -0.046 177.645 177.584 0.179 0.000 1.321 429 A CA -0.423 51.692 52.037 0.131 0.000 0.928 429 A CB 0.175 19.233 19.000 0.098 0.000 1.158 429 A HN 0.849 nan 8.150 nan 0.000 0.542 430 M N 3.128 122.848 119.600 0.200 0.000 2.261 430 M HA 0.205 4.685 4.480 0.000 0.000 0.349 430 M C -0.897 175.476 176.300 0.122 0.000 1.305 430 M CA 0.041 55.490 55.300 0.249 0.000 1.240 430 M CB 0.063 32.791 32.600 0.214 0.000 1.394 430 M HN 0.627 nan 8.290 nan 0.000 0.438 431 C N 1.889 121.285 119.300 0.159 0.000 2.366 431 C HA 0.818 5.278 4.460 0.000 0.000 0.345 431 C C 1.147 176.184 174.990 0.077 0.000 1.209 431 C CA -0.895 58.162 59.018 0.065 0.000 2.050 431 C CB 1.163 28.920 27.740 0.028 0.000 2.359 431 C HN 0.954 nan 8.230 nan 0.000 0.527 432 G N 1.200 110.010 108.800 0.017 0.000 2.504 432 G HA2 0.340 4.300 3.960 0.000 0.000 0.288 432 G HA3 0.340 4.300 3.960 0.000 0.000 0.288 432 G C 0.650 175.540 174.900 -0.017 0.000 1.182 432 G CA -0.086 45.033 45.100 0.031 0.000 0.894 432 G HN 0.839 nan 8.290 nan 0.000 0.521 433 D N 0.206 120.606 120.400 -0.000 0.000 2.149 433 D HA -0.081 4.559 4.640 0.000 0.000 0.201 433 D C 2.147 178.494 176.300 0.077 0.000 0.972 433 D CA 1.200 55.175 54.000 -0.042 0.000 0.835 433 D CB -0.792 40.122 40.800 0.189 0.000 0.966 433 D HN 0.472 nan 8.370 nan 0.000 0.476 434 G N 0.828 109.675 108.800 0.078 0.000 2.404 434 G HA2 -0.137 3.823 3.960 0.000 0.000 0.215 434 G HA3 -0.137 3.823 3.960 0.000 0.000 0.215 434 G C 1.759 176.674 174.900 0.025 0.000 1.174 434 G CA 1.059 46.198 45.100 0.065 0.000 0.780 434 G HN 0.468 nan 8.290 nan 0.000 0.537 435 G N 0.418 109.218 108.800 -0.000 0.000 2.433 435 G HA2 -0.211 3.749 3.960 0.000 0.000 0.216 435 G HA3 -0.211 3.749 3.960 0.000 0.000 0.216 435 G C 1.652 176.530 174.900 -0.037 0.000 1.186 435 G CA 0.966 46.044 45.100 -0.037 0.000 0.779 435 G HN 0.333 nan 8.290 nan 0.000 0.543 436 F N 2.810 122.652 119.950 -0.180 0.000 2.095 436 F HA -0.169 4.358 4.527 0.000 0.000 0.298 436 F C 3.014 178.732 175.800 -0.137 0.000 1.104 436 F CA 2.129 59.996 58.000 -0.223 0.000 1.232 436 F CB -0.258 38.482 39.000 -0.433 0.000 0.987 436 F HN 0.263 nan 8.300 nan 0.000 0.475 437 S N -0.202 115.482 115.700 -0.026 0.000 2.461 437 S HA -0.204 4.266 4.470 0.000 0.000 0.228 437 S C 2.118 176.676 174.600 -0.069 0.000 1.005 437 S CA 0.839 59.035 58.200 -0.006 0.000 0.942 437 S CB -0.842 62.503 63.200 0.243 0.000 0.776 437 S HN 0.626 nan 8.310 nan 0.000 0.514 438 M N 0.634 120.191 119.600 -0.071 0.000 2.213 438 M HA 0.158 4.638 4.480 0.000 0.000 0.263 438 M C 0.537 176.763 176.300 -0.124 0.000 1.062 438 M CA 1.520 56.776 55.300 -0.074 0.000 1.105 438 M CB -0.052 32.510 32.600 -0.065 0.000 1.385 438 M HN 0.313 nan 8.290 nan 0.000 0.417 439 L N -0.169 120.944 121.223 -0.183 0.000 3.168 439 L HA 0.213 4.553 4.340 0.000 0.000 0.277 439 L C 1.193 177.923 176.870 -0.234 0.000 1.308 439 L CA -0.346 54.378 54.840 -0.192 0.000 0.976 439 L CB 0.219 42.164 42.059 -0.191 0.000 1.383 439 L HN 0.351 nan 8.230 nan 0.000 0.572 440 M N -0.069 119.363 119.600 -0.280 0.000 2.267 440 M HA -0.108 4.372 4.480 0.000 0.000 0.263 440 M C 2.014 178.223 176.300 -0.150 0.000 1.063 440 M CA 1.960 57.011 55.300 -0.414 0.000 1.090 440 M CB 0.009 32.430 32.600 -0.298 0.000 1.392 440 M HN 0.501 nan 8.290 nan 0.000 0.422 441 G N -0.291 108.483 108.800 -0.044 0.000 2.450 441 G HA2 -0.219 3.741 3.960 0.000 0.000 0.220 441 G HA3 -0.219 3.741 3.960 0.000 0.000 0.220 441 G C 1.098 176.038 174.900 0.068 0.000 1.130 441 G CA 1.005 46.131 45.100 0.043 0.000 0.760 441 G HN 0.481 nan 8.290 nan 0.000 0.557 442 D N -0.460 119.965 120.400 0.042 0.000 2.363 442 D HA -0.013 4.627 4.640 0.000 0.000 0.226 442 D C 1.651 178.020 176.300 0.115 0.000 1.020 442 D CA -0.163 53.879 54.000 0.070 0.000 0.892 442 D CB 0.014 40.848 40.800 0.057 0.000 0.900 442 D HN 0.256 nan 8.370 nan 0.000 0.531 443 F N 1.651 121.570 119.950 -0.052 0.000 2.161 443 F HA -0.163 4.364 4.527 0.000 0.000 0.300 443 F C 1.983 177.826 175.800 0.072 0.000 1.089 443 F CA 1.003 59.026 58.000 0.039 0.000 1.282 443 F CB -0.365 38.676 39.000 0.069 0.000 1.010 443 F HN -0.084 nan 8.300 nan 0.000 0.485 444 L N -0.935 120.299 121.223 0.018 0.000 2.265 444 L HA -0.212 4.128 4.340 0.000 0.000 0.215 444 L C 2.396 179.231 176.870 -0.059 0.000 1.117 444 L CA 1.145 55.949 54.840 -0.060 0.000 0.782 444 L CB -0.848 41.227 42.059 0.027 0.000 0.914 444 L HN 0.059 nan 8.230 nan 0.000 0.441 445 S N -0.624 115.072 115.700 -0.007 0.000 2.406 445 S HA -0.105 4.365 4.470 0.000 0.000 0.228 445 S C 2.068 176.663 174.600 -0.008 0.000 1.020 445 S CA 0.753 58.966 58.200 0.020 0.000 0.965 445 S CB -0.026 63.220 63.200 0.077 0.000 0.798 445 S HN 0.167 nan 8.310 nan 0.000 0.488 446 V N 1.505 121.386 119.914 -0.055 0.000 2.332 446 V HA -0.165 3.955 4.120 0.000 0.000 0.248 446 V C 2.254 178.285 176.094 -0.106 0.000 1.055 446 V CA 1.553 63.809 62.300 -0.074 0.000 1.038 446 V CB -0.725 31.024 31.823 -0.124 0.000 0.651 446 V HN 0.343 nan 8.190 nan 0.000 0.450 447 V N -0.593 119.220 119.914 -0.169 0.000 2.255 447 V HA -0.301 3.819 4.120 0.000 0.000 0.243 447 V C 2.380 178.439 176.094 -0.058 0.000 1.038 447 V CA 2.298 64.526 62.300 -0.120 0.000 1.008 447 V CB -0.689 31.051 31.823 -0.138 0.000 0.645 447 V HN 0.571 nan 8.190 nan 0.000 0.449 448 Q N -0.625 119.149 119.800 -0.043 0.000 2.135 448 Q HA -0.218 4.122 4.340 0.000 0.000 0.204 448 Q C 2.059 178.053 176.000 -0.010 0.000 0.981 448 Q CA 1.963 57.758 55.803 -0.015 0.000 0.856 448 Q CB -0.088 28.652 28.738 0.003 0.000 0.902 448 Q HN 0.584 nan 8.270 nan 0.000 0.425 449 M N -0.135 119.460 119.600 -0.008 0.000 2.502 449 M HA 0.064 4.544 4.480 0.000 0.000 0.243 449 M C -0.391 175.903 176.300 -0.009 0.000 1.130 449 M CA 0.356 55.651 55.300 -0.008 0.000 1.055 449 M CB 0.647 33.253 32.600 0.010 0.000 1.457 449 M HN -0.029 nan 8.290 nan 0.000 0.488 450 K N 1.340 121.732 120.400 -0.014 0.000 3.150 450 K HA -0.160 4.160 4.320 0.000 0.000 0.267 450 K C -1.094 175.505 176.600 -0.002 0.000 1.028 450 K CA 0.512 56.791 56.287 -0.012 0.000 0.753 450 K CB -2.511 29.982 32.500 -0.011 0.000 1.288 450 K HN 0.412 nan 8.250 nan 0.000 0.473 451 L N 1.715 122.942 121.223 0.006 0.000 2.265 451 L HA 0.251 4.591 4.340 0.000 0.000 0.289 451 L C -1.324 175.558 176.870 0.020 0.000 1.033 451 L CA -2.010 52.842 54.840 0.021 0.000 0.814 451 L CB 0.927 43.015 42.059 0.048 0.000 1.203 451 L HN -0.087 nan 8.230 nan 0.000 0.423 452 P HA -0.001 nan 4.420 nan 0.000 0.237 452 P C 0.109 177.431 177.300 0.036 0.000 1.723 452 P CA -0.057 63.057 63.100 0.024 0.000 0.882 452 P CB -0.355 31.354 31.700 0.015 0.000 1.810 453 V N -1.390 118.554 119.914 0.049 0.000 2.673 453 V HA 0.177 4.297 4.120 0.000 0.000 0.303 453 V C 0.307 176.462 176.094 0.101 0.000 1.046 453 V CA -0.218 62.120 62.300 0.063 0.000 1.126 453 V CB 0.146 32.018 31.823 0.082 0.000 0.934 453 V HN -0.018 nan 8.190 nan 0.000 0.487 454 K N 6.177 126.641 120.400 0.105 0.000 2.268 454 K HA 0.548 4.868 4.320 0.000 0.000 0.276 454 K C -0.610 176.090 176.600 0.167 0.000 1.080 454 K CA -0.190 56.202 56.287 0.175 0.000 0.910 454 K CB 1.221 33.900 32.500 0.297 0.000 1.163 454 K HN 0.772 nan 8.250 nan 0.000 0.465 455 I N 2.821 123.475 120.570 0.139 0.000 2.315 455 I HA 0.142 4.312 4.170 0.000 0.000 0.291 455 I C -0.211 175.917 176.117 0.019 0.000 1.006 455 I CA -0.931 60.419 61.300 0.083 0.000 1.265 455 I CB 1.333 39.365 38.000 0.053 0.000 1.387 455 I HN 0.067 nan 8.210 nan 0.000 0.475 456 V N 7.684 127.632 119.914 0.056 0.000 2.334 456 V HA 0.274 4.394 4.120 0.000 0.000 0.281 456 V C 0.033 176.131 176.094 0.007 0.000 1.016 456 V CA -0.708 61.599 62.300 0.010 0.000 0.832 456 V CB 1.621 33.495 31.823 0.086 0.000 0.999 456 V HN 0.362 nan 8.190 nan 0.000 0.439 457 V N 5.635 125.459 119.914 -0.148 0.000 2.406 457 V HA 0.348 4.468 4.120 0.000 0.000 0.272 457 V C -0.117 175.951 176.094 -0.044 0.000 1.043 457 V CA -0.314 61.897 62.300 -0.148 0.000 0.915 457 V CB 0.968 32.526 31.823 -0.440 0.000 0.988 457 V HN 0.672 nan 8.190 nan 0.000 0.466 458 F N 4.090 124.011 119.950 -0.049 0.000 2.566 458 F HA 0.243 4.770 4.527 0.000 0.000 0.349 458 F C 1.054 176.870 175.800 0.028 0.000 1.245 458 F CA -0.375 57.641 58.000 0.026 0.000 1.169 458 F CB -0.208 38.861 39.000 0.116 0.000 1.470 458 F HN 0.442 nan 8.300 nan 0.000 0.634 459 N N 3.216 121.976 118.700 0.100 0.000 2.663 459 N HA -0.023 4.717 4.740 0.000 0.000 0.250 459 N C 0.384 175.970 175.510 0.126 0.000 1.129 459 N CA -0.056 53.073 53.050 0.132 0.000 0.995 459 N CB -0.114 38.458 38.487 0.142 0.000 1.324 459 N HN 0.416 nan 8.380 nan 0.000 0.512 460 N N 0.762 119.553 118.700 0.152 0.000 2.235 460 N HA -0.048 4.692 4.740 0.000 0.000 0.209 460 N C 0.116 175.690 175.510 0.106 0.000 1.122 460 N CA 0.144 53.270 53.050 0.128 0.000 0.845 460 N CB -0.304 38.278 38.487 0.159 0.000 1.004 460 N HN 0.274 nan 8.380 nan 0.000 0.499 461 S N -2.008 113.765 115.700 0.122 0.000 3.521 461 S HA -0.218 4.252 4.470 0.000 0.000 0.362 461 S C -0.111 174.544 174.600 0.091 0.000 1.044 461 S CA 0.648 58.911 58.200 0.105 0.000 1.091 461 S CB -2.229 61.001 63.200 0.050 0.000 0.908 461 S HN 0.522 nan 8.310 nan 0.000 0.473 462 V N 0.208 120.183 119.914 0.102 0.000 3.242 462 V HA 0.513 4.633 4.120 0.000 0.000 0.298 462 V C -0.561 175.581 176.094 0.081 0.000 1.352 462 V CA -1.140 61.210 62.300 0.084 0.000 1.052 462 V CB 2.084 33.951 31.823 0.073 0.000 1.101 462 V HN 0.432 nan 8.190 nan 0.000 0.446 463 L N 4.736 125.996 121.223 0.061 0.000 2.423 463 L HA 0.456 4.796 4.340 0.000 0.000 0.249 463 L C 1.113 178.003 176.870 0.034 0.000 1.276 463 L CA 0.206 55.072 54.840 0.043 0.000 1.199 463 L CB -0.030 42.048 42.059 0.032 0.000 1.407 463 L HN 0.807 nan 8.230 nan 0.000 0.410 480 T N -0.517 114.054 114.554 0.029 0.000 3.015 480 T HA 0.279 4.630 4.350 0.000 0.000 0.250 480 T C 0.532 175.258 174.700 0.044 0.000 1.057 480 T CA 0.062 62.182 62.100 0.033 0.000 1.066 480 T CB 0.327 69.213 68.868 0.030 0.000 0.959 480 T HN 0.117 nan 8.240 nan 0.000 0.488 481 E N 1.816 122.042 120.200 0.044 0.000 2.529 481 E HA 0.179 4.529 4.350 0.000 0.000 0.259 481 E C -0.546 176.094 176.600 0.067 0.000 0.966 481 E CA 0.371 56.802 56.400 0.052 0.000 0.937 481 E CB 0.648 30.377 29.700 0.049 0.000 0.923 481 E HN 0.531 nan 8.360 nan 0.000 0.468 482 L N 2.781 124.051 121.223 0.078 0.000 2.362 482 L HA 0.231 4.572 4.340 0.000 0.000 0.275 482 L C 0.270 177.208 176.870 0.113 0.000 0.998 482 L CA -1.067 53.836 54.840 0.104 0.000 0.820 482 L CB 1.453 43.583 42.059 0.118 0.000 1.270 482 L HN 0.545 nan 8.230 nan 0.000 0.415 483 H N 1.504 120.589 119.070 0.025 0.000 3.058 483 H HA -0.109 4.447 4.556 0.000 0.000 0.347 483 H C -0.389 174.936 175.328 -0.005 0.000 1.087 483 H CA 0.728 56.779 56.048 0.005 0.000 1.375 483 H CB 0.507 30.265 29.762 -0.006 0.000 1.312 483 H HN 0.440 nan 8.280 nan 0.000 0.607 484 D N 2.076 122.194 120.400 -0.471 0.000 2.344 484 D HA 0.095 4.735 4.640 0.000 0.000 0.253 484 D C -0.706 175.449 176.300 -0.241 0.000 1.255 484 D CA 0.195 54.014 54.000 -0.302 0.000 0.894 484 D CB 0.054 40.662 40.800 -0.320 0.000 1.067 484 D HN 0.442 nan 8.370 nan 0.000 0.492 485 T N 3.496 117.930 114.554 -0.201 0.000 2.823 485 T HA 0.251 4.601 4.350 0.000 0.000 0.279 485 T C 0.161 174.596 174.700 -0.441 0.000 0.998 485 T CA -0.881 61.000 62.100 -0.366 0.000 0.994 485 T CB 1.031 69.527 68.868 -0.620 0.000 0.960 485 T HN 0.174 nan 8.240 nan 0.000 0.448 486 N N 2.438 120.911 118.700 -0.379 0.000 2.589 486 N HA 0.205 4.945 4.740 0.000 0.000 0.232 486 N C 0.079 175.418 175.510 -0.285 0.000 1.015 486 N CA -0.568 52.330 53.050 -0.253 0.000 0.931 486 N CB 0.102 38.512 38.487 -0.128 0.000 1.150 486 N HN 0.426 nan 8.380 nan 0.000 0.512 487 F N 1.775 121.683 119.950 -0.070 0.000 2.325 487 F HA 0.062 4.589 4.527 0.000 0.000 0.299 487 F C 2.288 178.014 175.800 -0.124 0.000 1.090 487 F CA 0.678 58.605 58.000 -0.121 0.000 1.392 487 F CB -0.255 38.584 39.000 -0.268 0.000 1.053 487 F HN 0.574 nan 8.300 nan 0.000 0.521 488 A N 0.176 123.026 122.820 0.051 0.000 1.902 488 A HA -0.185 4.135 4.320 0.000 0.000 0.217 488 A C 2.403 180.011 177.584 0.039 0.000 1.181 488 A CA 1.408 53.460 52.037 0.025 0.000 0.623 488 A CB -0.636 18.364 19.000 0.000 0.000 0.818 488 A HN 0.242 nan 8.150 nan 0.000 0.443 489 R N -0.661 119.847 120.500 0.015 0.000 2.081 489 R HA -0.071 4.269 4.340 0.000 0.000 0.235 489 R C 2.001 178.335 176.300 0.057 0.000 1.131 489 R CA 1.592 57.705 56.100 0.020 0.000 0.960 489 R CB -0.407 29.887 30.300 -0.011 0.000 0.856 489 R HN 0.617 nan 8.270 nan 0.000 0.436 490 I N 0.222 120.831 120.570 0.066 0.000 2.252 490 I HA -0.253 3.917 4.170 0.000 0.000 0.245 490 I C 2.552 178.806 176.117 0.228 0.000 1.102 490 I CA 1.161 62.538 61.300 0.129 0.000 1.385 490 I CB -0.347 37.741 38.000 0.147 0.000 1.064 490 I HN 0.188 nan 8.210 nan 0.000 0.414 491 A N 0.496 123.455 122.820 0.233 0.000 1.865 491 A HA -0.232 4.088 4.320 0.000 0.000 0.217 491 A C 2.243 179.995 177.584 0.280 0.000 1.191 491 A CA 1.664 53.947 52.037 0.410 0.000 0.623 491 A CB -0.548 18.640 19.000 0.313 0.000 0.826 491 A HN 0.361 nan 8.150 nan 0.000 0.444 492 E N -0.211 120.087 120.200 0.162 0.000 2.118 492 E HA -0.188 4.163 4.350 0.000 0.000 0.195 492 E C 2.267 178.930 176.600 0.105 0.000 0.992 492 E CA 1.284 57.749 56.400 0.109 0.000 0.804 492 E CB -0.498 29.243 29.700 0.068 0.000 0.741 492 E HN 0.607 nan 8.360 nan 0.000 0.458 493 A N 0.354 123.244 122.820 0.116 0.000 2.067 493 A HA -0.127 4.193 4.320 0.000 0.000 0.219 493 A C 2.313 179.964 177.584 0.111 0.000 1.158 493 A CA 0.888 52.984 52.037 0.099 0.000 0.661 493 A CB -0.403 18.653 19.000 0.094 0.000 0.801 493 A HN 0.303 nan 8.150 nan 0.000 0.452 494 C N -1.304 118.093 119.300 0.162 0.000 2.626 494 C HA 0.445 4.906 4.460 0.000 0.000 0.266 494 C C 1.959 176.985 174.990 0.059 0.000 1.317 494 C CA 0.234 59.332 59.018 0.133 0.000 1.716 494 C CB -1.061 26.812 27.740 0.222 0.000 1.819 494 C HN 1.024 nan 8.230 nan 0.000 0.578 495 G N 0.947 109.787 108.800 0.068 0.000 2.141 495 G HA2 -0.235 3.725 3.960 0.000 0.000 0.242 495 G HA3 -0.235 3.725 3.960 0.000 0.000 0.242 495 G C -0.130 174.786 174.900 0.026 0.000 0.982 495 G CA -0.076 45.045 45.100 0.035 0.000 0.662 495 G HN 0.532 nan 8.290 nan 0.000 0.527 496 I N 1.445 122.050 120.570 0.059 0.000 2.460 496 I HA 0.344 4.514 4.170 0.000 0.000 0.298 496 I C 0.912 177.096 176.117 0.112 0.000 0.989 496 I CA -0.825 60.519 61.300 0.073 0.000 1.173 496 I CB 1.648 39.702 38.000 0.091 0.000 1.338 496 I HN 0.014 nan 8.210 nan 0.000 0.456 497 T N 4.292 118.894 114.554 0.080 0.000 2.871 497 T HA 0.237 4.587 4.350 0.000 0.000 0.296 497 T C 0.300 175.048 174.700 0.081 0.000 0.998 497 T CA -0.220 61.919 62.100 0.065 0.000 1.162 497 T CB 0.217 69.108 68.868 0.038 0.000 0.947 497 T HN 0.815 nan 8.240 nan 0.000 0.536 498 G N 2.456 111.292 108.800 0.060 0.000 2.530 498 G HA2 0.656 4.616 3.960 0.000 0.000 0.316 498 G HA3 0.656 4.616 3.960 0.000 0.000 0.316 498 G C -0.798 174.104 174.900 0.003 0.000 1.298 498 G CA -0.756 44.369 45.100 0.043 0.000 0.948 498 G HN 0.747 nan 8.290 nan 0.000 0.486 499 I N 1.625 122.182 120.570 -0.022 0.000 2.410 499 I HA 0.369 4.539 4.170 0.000 0.000 0.286 499 I C -0.071 176.013 176.117 -0.054 0.000 1.009 499 I CA -0.992 60.281 61.300 -0.046 0.000 1.111 499 I CB 2.142 40.099 38.000 -0.072 0.000 1.262 499 I HN 0.334 nan 8.210 nan 0.000 0.443 500 R N 5.934 126.406 120.500 -0.048 0.000 2.221 500 R HA 0.573 4.914 4.340 0.000 0.000 0.327 500 R C -1.566 174.697 176.300 -0.062 0.000 1.033 500 R CA -0.279 55.792 56.100 -0.049 0.000 0.887 500 R CB 0.995 31.272 30.300 -0.038 0.000 1.057 500 R HN 0.446 nan 8.270 nan 0.000 0.455 501 V N 5.572 125.441 119.914 -0.074 0.000 2.409 501 V HA 0.334 4.454 4.120 0.000 0.000 0.291 501 V C 0.254 176.302 176.094 -0.075 0.000 1.020 501 V CA -0.408 61.843 62.300 -0.082 0.000 0.848 501 V CB 1.537 33.295 31.823 -0.107 0.000 0.990 501 V HN 0.961 nan 8.190 nan 0.000 0.430 502 E N 2.301 122.461 120.200 -0.066 0.000 2.474 502 E HA 0.224 4.574 4.350 0.000 0.000 0.215 502 E C -0.062 176.497 176.600 -0.068 0.000 0.867 502 E CA -0.072 56.289 56.400 -0.064 0.000 1.135 502 E CB 1.017 30.684 29.700 -0.056 0.000 1.147 502 E HN 0.556 nan 8.360 nan 0.000 0.534 503 K N 0.479 120.841 120.400 -0.064 0.000 2.221 503 K HA 0.475 4.795 4.320 0.000 0.000 0.258 503 K C 0.429 176.998 176.600 -0.052 0.000 0.944 503 K CA -0.195 56.053 56.287 -0.066 0.000 0.823 503 K CB 1.791 34.255 32.500 -0.058 0.000 1.113 503 K HN -0.076 nan 8.250 nan 0.000 0.431 504 A N 1.561 124.341 122.820 -0.067 0.000 1.978 504 A HA -0.189 4.131 4.320 0.000 0.000 0.220 504 A C 1.992 179.603 177.584 0.046 0.000 1.170 504 A CA 2.245 54.273 52.037 -0.016 0.000 0.636 504 A CB -0.654 18.240 19.000 -0.177 0.000 0.810 504 A HN 0.796 nan 8.150 nan 0.000 0.448 505 S N -0.242 115.449 115.700 -0.016 0.000 2.474 505 S HA -0.115 4.355 4.470 0.000 0.000 0.235 505 S C 1.338 175.940 174.600 0.004 0.000 0.997 505 S CA 1.222 59.422 58.200 0.000 0.000 0.949 505 S CB -0.343 62.841 63.200 -0.028 0.000 0.766 505 S HN 0.710 nan 8.310 nan 0.000 0.517 506 E N 0.659 120.851 120.200 -0.014 0.000 2.442 506 E HA 0.095 4.445 4.350 0.000 0.000 0.195 506 E C 1.704 178.270 176.600 -0.057 0.000 1.030 506 E CA 0.263 56.638 56.400 -0.041 0.000 0.869 506 E CB -0.062 29.605 29.700 -0.055 0.000 0.857 506 E HN 0.363 nan 8.360 nan 0.000 0.505 507 V N 1.963 121.865 119.914 -0.020 0.000 2.261 507 V HA -0.282 3.838 4.120 0.000 0.000 0.246 507 V C 1.677 177.700 176.094 -0.118 0.000 1.047 507 V CA 2.115 64.374 62.300 -0.067 0.000 1.015 507 V CB -0.362 31.441 31.823 -0.035 0.000 0.642 507 V HN 0.207 nan 8.190 nan 0.000 0.446 508 D N -0.031 120.341 120.400 -0.047 0.000 2.106 508 D HA -0.224 4.416 4.640 0.000 0.000 0.191 508 D C 2.156 178.235 176.300 -0.367 0.000 0.997 508 D CA 1.894 55.826 54.000 -0.112 0.000 0.834 508 D CB -0.334 40.519 40.800 0.087 0.000 0.956 508 D HN 0.744 nan 8.370 nan 0.000 0.448 509 E N 0.835 120.897 120.200 -0.229 0.000 2.150 509 E HA -0.069 4.281 4.350 0.000 0.000 0.193 509 E C 1.834 178.274 176.600 -0.267 0.000 0.985 509 E CA 1.514 57.769 56.400 -0.242 0.000 0.814 509 E CB -0.300 29.316 29.700 -0.141 0.000 0.752 509 E HN 0.163 nan 8.360 nan 0.000 0.466 510 A N 1.094 123.770 122.820 -0.240 0.000 1.898 510 A HA -0.051 4.269 4.320 0.000 0.000 0.216 510 A C 2.308 179.678 177.584 -0.358 0.000 1.181 510 A CA 1.398 53.291 52.037 -0.239 0.000 0.620 510 A CB -0.696 18.190 19.000 -0.190 0.000 0.819 510 A HN 0.340 nan 8.150 nan 0.000 0.442 511 L N -0.986 119.957 121.223 -0.466 0.000 2.056 511 L HA -0.229 4.112 4.340 0.000 0.000 0.207 511 L C 2.894 179.211 176.870 -0.923 0.000 1.078 511 L CA 1.478 55.857 54.840 -0.768 0.000 0.749 511 L CB -0.640 41.058 42.059 -0.602 0.000 0.901 511 L HN 0.475 nan 8.230 nan 0.000 0.433 512 Q N -0.329 119.052 119.800 -0.697 0.000 2.084 512 Q HA -0.247 4.093 4.340 0.000 0.000 0.202 512 Q C 2.302 178.136 176.000 -0.277 0.000 0.978 512 Q CA 1.530 57.042 55.803 -0.485 0.000 0.844 512 Q CB -0.134 28.302 28.738 -0.504 0.000 0.898 512 Q HN 0.351 nan 8.270 nan 0.000 0.426 513 R N 0.545 120.888 120.500 -0.263 0.000 2.073 513 R HA -0.160 4.180 4.340 0.000 0.000 0.234 513 R C 2.202 178.428 176.300 -0.123 0.000 1.134 513 R CA 1.426 57.433 56.100 -0.155 0.000 0.952 513 R CB -0.348 29.870 30.300 -0.137 0.000 0.850 513 R HN 0.238 nan 8.270 nan 0.000 0.433 514 A N 0.317 123.013 122.820 -0.205 0.000 1.908 514 A HA -0.162 4.158 4.320 0.000 0.000 0.218 514 A C 1.924 179.558 177.584 0.083 0.000 1.181 514 A CA 1.431 53.400 52.037 -0.114 0.000 0.627 514 A CB -0.711 18.157 19.000 -0.219 0.000 0.818 514 A HN 0.401 nan 8.150 nan 0.000 0.445 515 F N 0.697 120.625 119.950 -0.037 0.000 2.259 515 F HA -0.025 4.502 4.527 0.000 0.000 0.298 515 F C 2.665 178.450 175.800 -0.025 0.000 1.088 515 F CA 0.819 58.805 58.000 -0.023 0.000 1.358 515 F CB -1.060 37.933 39.000 -0.011 0.000 1.040 515 F HN 0.156 nan 8.300 nan 0.000 0.505 516 S N -0.114 115.668 115.700 0.136 0.000 2.414 516 S HA 0.051 4.521 4.470 0.000 0.000 0.227 516 S C 1.032 175.659 174.600 0.045 0.000 1.022 516 S CA 0.054 58.294 58.200 0.067 0.000 0.958 516 S CB -0.296 62.918 63.200 0.023 0.000 0.797 516 S HN 0.090 nan 8.310 nan 0.000 0.493 517 I N 3.042 123.637 120.570 0.041 0.000 2.752 517 I HA -0.066 4.104 4.170 0.000 0.000 0.289 517 I C 0.382 176.519 176.117 0.034 0.000 1.197 517 I CA 0.067 61.384 61.300 0.028 0.000 1.432 517 I CB 0.284 38.298 38.000 0.023 0.000 1.359 517 I HN 0.009 nan 8.210 nan 0.000 0.571 518 D N 6.057 126.470 120.400 0.022 0.000 2.688 518 D HA 0.386 5.026 4.640 0.000 0.000 0.228 518 D C 0.110 176.420 176.300 0.017 0.000 1.116 518 D CA 0.451 54.461 54.000 0.017 0.000 1.023 518 D CB -0.264 40.542 40.800 0.010 0.000 1.100 518 D HN 0.716 nan 8.370 nan 0.000 0.487 519 G N 1.420 110.235 108.800 0.024 0.000 2.315 519 G HA2 0.206 4.166 3.960 0.000 0.000 0.294 519 G HA3 0.206 4.166 3.960 0.000 0.000 0.294 519 G C -3.153 171.769 174.900 0.038 0.000 1.300 519 G CA -0.997 44.116 45.100 0.023 0.000 0.843 519 G HN 0.031 nan 8.290 nan 0.000 0.527 520 P HA 0.563 nan 4.420 nan 0.000 0.274 520 P C -0.667 176.683 177.300 0.084 0.000 1.231 520 P CA -0.304 62.831 63.100 0.060 0.000 0.790 520 P CB 1.820 33.539 31.700 0.032 0.000 0.951 521 V N 2.914 122.899 119.914 0.117 0.000 2.932 521 V HA 0.360 4.480 4.120 0.000 0.000 0.307 521 V C -0.262 175.909 176.094 0.128 0.000 1.147 521 V CA -0.754 61.612 62.300 0.110 0.000 0.951 521 V CB 2.279 34.145 31.823 0.071 0.000 1.031 521 V HN 0.451 nan 8.190 nan 0.000 0.426 522 L N 4.464 125.754 121.223 0.113 0.000 2.305 522 L HA 0.739 5.079 4.340 0.000 0.000 0.284 522 L C -0.979 175.865 176.870 -0.042 0.000 1.013 522 L CA -0.440 54.413 54.840 0.020 0.000 0.819 522 L CB 1.574 43.616 42.059 -0.029 0.000 1.227 522 L HN 0.526 nan 8.230 nan 0.000 0.417 523 V N 3.719 123.584 119.914 -0.081 0.000 2.328 523 V HA 0.262 4.382 4.120 0.000 0.000 0.278 523 V C -0.488 175.523 176.094 -0.139 0.000 1.021 523 V CA -0.527 61.708 62.300 -0.108 0.000 0.838 523 V CB 1.255 33.000 31.823 -0.130 0.000 0.999 523 V HN 0.649 nan 8.190 nan 0.000 0.447 524 D N 4.818 125.152 120.400 -0.109 0.000 2.428 524 D HA 0.336 4.976 4.640 0.000 0.000 0.221 524 D C -0.526 175.722 176.300 -0.087 0.000 1.123 524 D CA -0.094 53.857 54.000 -0.081 0.000 0.869 524 D CB 1.332 42.133 40.800 0.003 0.000 1.032 524 D HN 0.281 nan 8.370 nan 0.000 0.506 525 V N 4.531 124.363 119.914 -0.136 0.000 2.328 525 V HA 0.219 4.339 4.120 0.000 0.000 0.278 525 V C 0.487 176.515 176.094 -0.110 0.000 1.021 525 V CA -1.026 61.178 62.300 -0.160 0.000 0.838 525 V CB 1.522 33.176 31.823 -0.282 0.000 0.999 525 V HN 0.289 nan 8.190 nan 0.000 0.447 526 V N 6.913 126.785 119.914 -0.070 0.000 2.421 526 V HA 0.187 4.307 4.120 0.000 0.000 0.271 526 V C 0.358 176.422 176.094 -0.051 0.000 1.031 526 V CA 0.167 62.444 62.300 -0.037 0.000 1.032 526 V CB 0.917 32.719 31.823 -0.035 0.000 1.009 526 V HN 0.760 nan 8.190 nan 0.000 0.477 527 V N 3.008 122.913 119.914 -0.014 0.000 2.919 527 V HA 1.009 5.129 4.120 0.000 0.000 0.316 527 V C 0.269 176.386 176.094 0.039 0.000 1.077 527 V CA -0.847 61.450 62.300 -0.004 0.000 0.977 527 V CB 1.749 33.590 31.823 0.030 0.000 1.039 527 V HN 0.869 nan 8.190 nan 0.000 0.441 528 A N 2.480 125.322 122.820 0.038 0.000 2.287 528 A HA 0.567 4.887 4.320 0.000 0.000 0.273 528 A C 0.374 178.035 177.584 0.127 0.000 1.091 528 A CA -0.735 51.343 52.037 0.069 0.000 0.817 528 A CB 0.229 19.272 19.000 0.071 0.000 1.069 528 A HN 0.902 nan 8.150 nan 0.000 0.492 529 K N 1.592 122.062 120.400 0.118 0.000 2.270 529 K HA 0.424 4.744 4.320 0.000 0.000 0.276 529 K C -0.572 176.118 176.600 0.151 0.000 1.023 529 K CA -0.071 56.299 56.287 0.138 0.000 0.955 529 K CB 0.771 33.330 32.500 0.098 0.000 0.975 529 K HN 0.697 nan 8.250 nan 0.000 0.471 530 E N 1.740 122.055 120.200 0.192 0.000 2.408 530 E HA 0.227 4.577 4.350 0.000 0.000 0.275 530 E C -0.884 175.821 176.600 0.175 0.000 0.935 530 E CA -0.823 55.695 56.400 0.197 0.000 0.775 530 E CB 2.028 31.902 29.700 0.290 0.000 1.277 530 E HN 0.449 nan 8.360 nan 0.000 0.455 531 E N 0.539 120.821 120.200 0.135 0.000 2.342 531 E HA 0.237 4.588 4.350 0.000 0.000 0.257 531 E C 0.828 177.498 176.600 0.117 0.000 1.150 531 E CA -0.058 56.400 56.400 0.096 0.000 0.926 531 E CB 0.711 30.446 29.700 0.057 0.000 1.074 531 E HN 0.348 nan 8.360 nan 0.000 0.449 532 L N 0.434 121.688 121.223 0.052 0.000 2.253 532 L HA 0.278 4.619 4.340 0.000 0.000 0.205 532 L C 0.767 177.657 176.870 0.033 0.000 1.078 532 L CA 0.138 54.994 54.840 0.027 0.000 0.805 532 L CB -0.178 41.859 42.059 -0.036 0.000 0.963 532 L HN 0.453 nan 8.230 nan 0.000 0.459 533 A N 0.917 123.745 122.820 0.014 0.000 2.511 533 A HA 0.288 4.608 4.320 0.000 0.000 0.242 533 A C -0.175 177.420 177.584 0.017 0.000 1.069 533 A CA 0.027 52.063 52.037 -0.001 0.000 0.763 533 A CB -0.300 18.690 19.000 -0.016 0.000 1.001 533 A HN 0.234 nan 8.150 nan 0.000 0.498 534 I N 4.053 124.629 120.570 0.010 0.000 2.417 534 I HA 0.232 4.402 4.170 0.000 0.000 0.283 534 I C -2.092 174.025 176.117 0.000 0.000 1.121 534 I CA -1.429 59.877 61.300 0.011 0.000 1.211 534 I CB 0.381 38.388 38.000 0.010 0.000 1.492 534 I HN 0.361 nan 8.210 nan 0.000 0.522 535 P HA 0.009 nan 4.420 nan 0.000 0.255 535 P C -1.837 175.465 177.300 0.003 0.000 1.151 535 P CA -0.436 62.663 63.100 -0.002 0.000 0.767 535 P CB -0.394 31.303 31.700 -0.004 0.000 0.736 536 P HA 0.000 nan 4.420 nan 0.000 0.216 536 P CA 0.000 63.114 63.100 0.024 0.000 0.800 536 P CB 0.000 31.723 31.700 0.039 0.000 0.726