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 1x2a_1_B DATA FIRST_RESID 5 DATA SEQUENCE MFENITAAPA DPILGLADLF RADERPGKIN LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGTGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSKNFGLYN ERVGACTLVA ADSETVDRAF SQMKAAIRAN YSNPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VAXVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.264 176.300 -0.060 0.000 1.140 5 M CA 0.000 55.150 55.300 -0.250 0.000 0.988 5 M CB 0.000 32.331 32.600 -0.449 0.000 1.302 6 F N 0.237 120.186 119.950 -0.002 0.000 2.682 6 F HA 0.446 4.973 4.527 -0.000 0.000 0.308 6 F C 1.451 177.249 175.800 -0.002 0.000 1.093 6 F CA 0.022 58.021 58.000 -0.002 0.000 1.244 6 F CB -0.452 38.547 39.000 -0.002 0.000 1.052 6 F HN 0.068 nan 8.300 nan 0.000 0.573 7 E N 0.757 121.039 120.200 0.137 0.000 2.085 7 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 7 E C 1.051 177.691 176.600 0.067 0.000 0.994 7 E CA 1.497 57.945 56.400 0.080 0.000 0.801 7 E CB -0.422 29.299 29.700 0.035 0.000 0.743 7 E HN 0.202 nan 8.360 nan 0.000 0.453 8 N N -0.249 118.490 118.700 0.065 0.000 2.276 8 N HA 0.173 4.913 4.740 -0.000 0.000 0.212 8 N C -0.615 174.923 175.510 0.046 0.000 1.127 8 N CA -0.013 53.065 53.050 0.046 0.000 0.834 8 N CB 0.289 38.796 38.487 0.033 0.000 1.014 8 N HN 0.120 nan 8.380 nan 0.000 0.491 9 I N 1.397 122.004 120.570 0.062 0.000 2.517 9 I HA -0.001 4.169 4.170 -0.000 0.000 0.285 9 I C 0.692 176.819 176.117 0.017 0.000 1.106 9 I CA -0.229 61.094 61.300 0.039 0.000 1.402 9 I CB 0.357 38.376 38.000 0.032 0.000 1.399 9 I HN 0.130 nan 8.210 nan 0.000 0.535 10 T N 3.714 118.272 114.554 0.007 0.000 2.869 10 T HA 0.562 4.912 4.350 -0.000 0.000 0.295 10 T C 0.305 174.999 174.700 -0.009 0.000 0.987 10 T CA -1.014 61.086 62.100 0.000 0.000 1.109 10 T CB 1.390 70.257 68.868 -0.001 0.000 0.932 10 T HN 0.649 nan 8.240 nan 0.000 0.518 11 A N 2.364 125.178 122.820 -0.010 0.000 2.466 11 A HA 0.588 4.908 4.320 -0.000 0.000 0.238 11 A C 0.819 178.391 177.584 -0.020 0.000 1.074 11 A CA -0.258 51.768 52.037 -0.017 0.000 0.774 11 A CB -0.580 18.412 19.000 -0.013 0.000 1.015 11 A HN 1.475 nan 8.150 nan 0.000 0.498 12 A N 2.519 125.323 122.820 -0.026 0.000 2.295 12 A HA 0.733 5.053 4.320 -0.000 0.000 0.318 12 A C -1.676 175.893 177.584 -0.025 0.000 1.134 12 A CA -1.319 50.701 52.037 -0.028 0.000 0.827 12 A CB -0.213 18.765 19.000 -0.036 0.000 1.136 12 A HN 0.836 nan 8.150 nan 0.000 0.493 13 P HA 0.492 nan 4.420 nan 0.000 0.276 13 P C -0.151 177.134 177.300 -0.025 0.000 1.244 13 P CA -0.156 62.931 63.100 -0.022 0.000 0.801 13 P CB 1.036 32.722 31.700 -0.023 0.000 1.006 14 A N 1.344 124.154 122.820 -0.016 0.000 2.406 14 A HA 0.082 4.402 4.320 -0.000 0.000 0.243 14 A C 0.255 177.824 177.584 -0.025 0.000 1.082 14 A CA -0.181 51.847 52.037 -0.014 0.000 0.786 14 A CB -0.511 18.490 19.000 0.002 0.000 1.029 14 A HN 0.688 nan 8.150 nan 0.000 0.495 15 D N 1.095 121.477 120.400 -0.030 0.000 2.425 15 D HA 0.232 4.872 4.640 -0.000 0.000 0.247 15 D C -1.150 175.131 176.300 -0.032 0.000 1.147 15 D CA -1.058 52.913 54.000 -0.049 0.000 0.879 15 D CB 0.836 41.606 40.800 -0.051 0.000 1.179 15 D HN 0.245 nan 8.370 nan 0.000 0.456 16 P HA -0.116 nan 4.420 nan 0.000 0.225 16 P C 0.823 178.121 177.300 -0.003 0.000 1.148 16 P CA 1.137 64.222 63.100 -0.025 0.000 0.779 16 P CB 0.356 32.029 31.700 -0.045 0.000 0.780 17 I N -1.750 118.815 120.570 -0.007 0.000 3.366 17 I HA 0.015 4.185 4.170 -0.000 0.000 0.267 17 I C 2.424 178.563 176.117 0.037 0.000 1.149 17 I CA 0.141 61.458 61.300 0.028 0.000 1.436 17 I CB -0.279 37.756 38.000 0.058 0.000 1.379 17 I HN -0.246 nan 8.210 nan 0.000 0.460 18 L N 0.964 122.203 121.223 0.027 0.000 2.217 18 L HA -0.028 4.312 4.340 -0.000 0.000 0.211 18 L C 2.569 179.452 176.870 0.023 0.000 1.107 18 L CA 1.346 56.202 54.840 0.027 0.000 0.783 18 L CB -0.944 41.128 42.059 0.022 0.000 0.919 18 L HN 0.334 nan 8.230 nan 0.000 0.442 19 G N 0.442 109.254 108.800 0.020 0.000 2.418 19 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.217 19 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.217 19 G C 1.475 176.408 174.900 0.055 0.000 1.158 19 G CA 0.397 45.515 45.100 0.029 0.000 0.771 19 G HN 0.136 nan 8.290 nan 0.000 0.545 20 L N 1.522 122.790 121.223 0.075 0.000 2.127 20 L HA -0.011 4.329 4.340 -0.000 0.000 0.211 20 L C 3.242 180.159 176.870 0.079 0.000 1.089 20 L CA 1.502 56.420 54.840 0.129 0.000 0.757 20 L CB -0.929 41.222 42.059 0.155 0.000 0.899 20 L HN 0.297 nan 8.230 nan 0.000 0.434 21 A N -0.710 122.134 122.820 0.040 0.000 1.940 21 A HA -0.224 4.096 4.320 -0.000 0.000 0.219 21 A C 2.047 179.659 177.584 0.047 0.000 1.176 21 A CA 1.939 53.992 52.037 0.027 0.000 0.631 21 A CB -0.543 18.465 19.000 0.012 0.000 0.814 21 A HN 0.446 nan 8.150 nan 0.000 0.446 22 D N -0.005 120.416 120.400 0.035 0.000 2.097 22 D HA -0.100 4.540 4.640 -0.000 0.000 0.197 22 D C 2.026 178.335 176.300 0.015 0.000 0.984 22 D CA 1.013 55.026 54.000 0.021 0.000 0.826 22 D CB -0.358 40.453 40.800 0.020 0.000 0.973 22 D HN 0.431 nan 8.370 nan 0.000 0.460 23 L N 0.083 121.334 121.223 0.048 0.000 2.012 23 L HA -0.190 4.150 4.340 -0.000 0.000 0.210 23 L C 2.479 179.314 176.870 -0.058 0.000 1.073 23 L CA 0.913 55.798 54.840 0.075 0.000 0.748 23 L CB -0.350 41.853 42.059 0.240 0.000 0.891 23 L HN -0.027 nan 8.230 nan 0.000 0.431 24 F N 0.977 120.677 119.950 -0.416 0.000 2.102 24 F HA -0.292 4.235 4.527 -0.000 0.000 0.298 24 F C 2.899 178.507 175.800 -0.320 0.000 1.105 24 F CA 2.236 59.806 58.000 -0.716 0.000 1.239 24 F CB -0.657 37.899 39.000 -0.740 0.000 0.991 24 F HN -0.067 nan 8.300 nan 0.000 0.474 25 R N 0.543 120.939 120.500 -0.173 0.000 2.105 25 R HA -0.001 4.339 4.340 -0.000 0.000 0.239 25 R C 2.287 178.456 176.300 -0.219 0.000 1.135 25 R CA 1.726 57.713 56.100 -0.189 0.000 0.967 25 R CB -2.120 28.156 30.300 -0.041 0.000 0.861 25 R HN 0.534 nan 8.270 nan 0.000 0.442 26 A N 0.702 123.427 122.820 -0.158 0.000 1.970 26 A HA 0.033 4.353 4.320 -0.000 0.000 0.216 26 A C 1.104 178.611 177.584 -0.129 0.000 1.170 26 A CA 0.416 52.387 52.037 -0.110 0.000 0.645 26 A CB -0.202 18.768 19.000 -0.050 0.000 0.816 26 A HN 0.589 nan 8.150 nan 0.000 0.447 27 D N 0.706 121.001 120.400 -0.176 0.000 2.531 27 D HA -0.019 4.621 4.640 -0.000 0.000 0.239 27 D C 0.992 177.200 176.300 -0.153 0.000 1.144 27 D CA 0.698 54.624 54.000 -0.123 0.000 0.869 27 D CB 0.699 41.438 40.800 -0.102 0.000 1.160 27 D HN 0.634 nan 8.370 nan 0.000 0.484 28 E N 2.890 123.042 120.200 -0.079 0.000 2.216 28 E HA -0.086 4.264 4.350 -0.000 0.000 0.192 28 E C 0.393 176.955 176.600 -0.063 0.000 0.988 28 E CA 0.163 56.520 56.400 -0.072 0.000 0.834 28 E CB -0.047 29.627 29.700 -0.043 0.000 0.772 28 E HN 0.204 nan 8.360 nan 0.000 0.479 29 R N 2.562 123.037 120.500 -0.041 0.000 2.504 29 R HA -0.006 4.334 4.340 -0.000 0.000 0.291 29 R C -1.409 174.871 176.300 -0.033 0.000 0.974 29 R CA -0.635 55.455 56.100 -0.017 0.000 1.077 29 R CB 0.089 30.404 30.300 0.024 0.000 0.926 29 R HN 0.236 nan 8.270 nan 0.000 0.407 30 P HA -0.022 nan 4.420 nan 0.000 0.229 30 P C 0.526 177.834 177.300 0.013 0.000 1.160 30 P CA 0.975 64.066 63.100 -0.015 0.000 0.777 30 P CB 0.464 32.160 31.700 -0.008 0.000 0.814 31 G N 0.653 109.475 108.800 0.037 0.000 3.189 31 G HA2 0.016 3.976 3.960 -0.000 0.000 0.225 31 G HA3 0.016 3.976 3.960 -0.000 0.000 0.225 31 G C 0.451 175.421 174.900 0.118 0.000 1.159 31 G CA -0.335 44.806 45.100 0.069 0.000 0.763 31 G HN 0.360 nan 8.290 nan 0.000 0.549 32 K N 0.272 120.749 120.400 0.128 0.000 2.527 32 K HA 0.262 4.582 4.320 -0.000 0.000 0.278 32 K C -0.724 176.110 176.600 0.389 0.000 0.981 32 K CA 0.270 56.715 56.287 0.264 0.000 1.009 32 K CB 0.952 33.545 32.500 0.155 0.000 0.895 32 K HN 0.031 nan 8.250 nan 0.000 0.493 33 I N 1.960 122.794 120.570 0.441 0.000 2.436 33 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 33 I C -0.533 175.661 176.117 0.129 0.000 1.010 33 I CA -0.701 60.754 61.300 0.258 0.000 1.098 33 I CB 1.870 39.950 38.000 0.134 0.000 1.266 33 I HN 0.755 nan 8.210 nan 0.000 0.434 34 N N 6.522 125.059 118.700 -0.271 0.000 2.485 34 N HA 0.303 5.043 4.740 -0.000 0.000 0.243 34 N C -0.547 174.789 175.510 -0.290 0.000 0.987 34 N CA -0.453 52.214 53.050 -0.637 0.000 0.940 34 N CB 0.800 38.453 38.487 -1.390 0.000 1.122 34 N HN 0.440 nan 8.380 nan 0.000 0.509 35 L N 3.797 124.937 121.223 -0.139 0.000 3.168 35 L HA 0.360 4.700 4.340 -0.000 0.000 0.277 35 L C 1.383 178.250 176.870 -0.006 0.000 1.245 35 L CA 0.020 54.816 54.840 -0.075 0.000 1.035 35 L CB 0.320 42.345 42.059 -0.057 0.000 1.399 35 L HN 0.655 nan 8.230 nan 0.000 0.580 36 G N -0.134 108.646 108.800 -0.034 0.000 2.632 36 G HA2 0.091 4.051 3.960 -0.000 0.000 0.220 36 G HA3 0.091 4.051 3.960 -0.000 0.000 0.220 36 G C 0.564 175.500 174.900 0.061 0.000 1.439 36 G CA -0.151 44.963 45.100 0.025 0.000 0.934 36 G HN 0.094 nan 8.290 nan 0.000 0.536 37 I N 2.261 122.842 120.570 0.018 0.000 2.775 37 I HA 0.216 4.386 4.170 -0.000 0.000 0.290 37 I C 1.467 177.662 176.117 0.131 0.000 1.203 37 I CA 0.072 61.409 61.300 0.062 0.000 1.433 37 I CB 0.807 38.799 38.000 -0.012 0.000 1.354 37 I HN 0.158 nan 8.210 nan 0.000 0.579 38 G N 6.359 115.329 108.800 0.284 0.000 2.924 38 G HA2 0.372 4.332 3.960 -0.000 0.000 0.273 38 G HA3 0.372 4.332 3.960 -0.000 0.000 0.273 38 G C -0.319 174.648 174.900 0.112 0.000 0.734 38 G CA -0.089 45.221 45.100 0.350 0.000 2.065 38 G HN 0.360 nan 8.290 nan 0.000 0.580 39 V N 2.056 121.956 119.914 -0.023 0.000 2.656 39 V HA 0.324 4.444 4.120 -0.000 0.000 0.307 39 V C -0.599 175.491 176.094 -0.006 0.000 1.051 39 V CA -1.246 60.968 62.300 -0.144 0.000 0.893 39 V CB 1.827 33.412 31.823 -0.397 0.000 0.999 39 V HN 0.577 nan 8.190 nan 0.000 0.426 40 Y N 4.898 125.228 120.300 0.050 0.000 2.336 40 Y HA 0.482 5.032 4.550 -0.000 0.000 0.331 40 Y C 0.189 176.113 175.900 0.039 0.000 1.211 40 Y CA 0.098 58.240 58.100 0.069 0.000 1.346 40 Y CB 0.668 39.241 38.460 0.188 0.000 1.271 40 Y HN 0.544 nan 8.280 nan 0.000 0.538 41 K N 4.539 124.425 120.400 -0.858 0.000 2.422 41 K HA 0.235 4.555 4.320 -0.000 0.000 0.251 41 K C -1.160 174.870 176.600 -0.950 0.000 0.933 41 K CA -1.068 54.846 56.287 -0.622 0.000 0.798 41 K CB 1.484 33.778 32.500 -0.344 0.000 1.238 41 K HN 0.756 nan 8.250 nan 0.000 0.428 42 D N 0.874 121.031 120.400 -0.405 0.000 2.478 42 D HA 0.085 4.725 4.640 -0.000 0.000 0.269 42 D C 1.173 177.395 176.300 -0.131 0.000 1.232 42 D CA -0.156 53.735 54.000 -0.180 0.000 1.059 42 D CB 0.056 40.889 40.800 0.055 0.000 1.104 42 D HN 0.559 nan 8.370 nan 0.000 0.566 43 E N -0.998 119.177 120.200 -0.042 0.000 2.219 43 E HA -0.169 4.181 4.350 -0.000 0.000 0.198 43 E C 1.744 178.324 176.600 -0.034 0.000 0.998 43 E CA 2.185 58.566 56.400 -0.033 0.000 0.818 43 E CB -1.430 28.268 29.700 -0.002 0.000 0.741 43 E HN 0.673 nan 8.360 nan 0.000 0.477 44 T N -4.324 110.214 114.554 -0.027 0.000 3.144 44 T HA 0.432 4.782 4.350 -0.000 0.000 0.249 44 T C 1.688 176.371 174.700 -0.028 0.000 1.089 44 T CA 0.971 63.060 62.100 -0.018 0.000 0.989 44 T CB 0.061 68.928 68.868 -0.002 0.000 0.992 44 T HN 1.466 nan 8.240 nan 0.000 0.540 45 G N 0.088 108.852 108.800 -0.060 0.000 2.147 45 G HA2 0.050 4.010 3.960 -0.000 0.000 0.244 45 G HA3 0.050 4.010 3.960 -0.000 0.000 0.244 45 G C 0.081 174.946 174.900 -0.058 0.000 1.005 45 G CA 0.287 45.346 45.100 -0.069 0.000 0.713 45 G HN 1.084 nan 8.290 nan 0.000 0.515 46 K N -0.522 119.847 120.400 -0.050 0.000 2.221 46 K HA 0.894 5.214 4.320 -0.000 0.000 0.243 46 K C 0.154 176.746 176.600 -0.014 0.000 0.968 46 K CA 0.177 56.453 56.287 -0.019 0.000 0.846 46 K CB 1.187 33.694 32.500 0.012 0.000 1.141 46 K HN 0.565 nan 8.250 nan 0.000 0.434 47 T N 4.458 119.026 114.554 0.023 0.000 3.145 47 T HA 0.343 4.693 4.350 -0.000 0.000 0.362 47 T C -1.896 172.891 174.700 0.145 0.000 1.340 47 T CA -0.981 61.173 62.100 0.091 0.000 1.069 47 T CB 0.291 69.185 68.868 0.043 0.000 1.129 47 T HN 0.679 nan 8.240 nan 0.000 0.585 48 P HA 0.348 nan 4.420 nan 0.000 0.274 48 P C -0.605 176.803 177.300 0.180 0.000 1.256 48 P CA -0.466 62.726 63.100 0.153 0.000 0.795 48 P CB 0.880 32.666 31.700 0.143 0.000 1.038 49 V N 1.744 121.744 119.914 0.144 0.000 2.407 49 V HA 0.149 4.269 4.120 -0.000 0.000 0.278 49 V C 0.947 177.117 176.094 0.128 0.000 1.037 49 V CA -0.723 61.662 62.300 0.142 0.000 0.900 49 V CB 0.768 32.662 31.823 0.118 0.000 0.983 49 V HN 0.383 nan 8.190 nan 0.000 0.459 50 L N 3.861 125.164 121.223 0.135 0.000 2.506 50 L HA 0.055 4.395 4.340 -0.000 0.000 0.281 50 L C 1.784 178.715 176.870 0.102 0.000 1.228 50 L CA 0.202 55.112 54.840 0.118 0.000 0.850 50 L CB 0.246 42.389 42.059 0.140 0.000 1.110 50 L HN 0.733 nan 8.230 nan 0.000 0.496 51 T N -0.446 114.158 114.554 0.084 0.000 2.821 51 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 51 T C 1.940 176.686 174.700 0.076 0.000 1.046 51 T CA 1.521 63.663 62.100 0.071 0.000 1.139 51 T CB -0.045 68.855 68.868 0.053 0.000 0.871 51 T HN 0.875 nan 8.240 nan 0.000 0.454 52 S N 1.496 117.255 115.700 0.097 0.000 2.359 52 S HA -0.111 4.359 4.470 -0.000 0.000 0.224 52 S C 2.167 176.822 174.600 0.091 0.000 1.035 52 S CA 1.096 59.361 58.200 0.108 0.000 1.018 52 S CB -1.041 62.269 63.200 0.183 0.000 0.876 52 S HN 0.300 nan 8.310 nan 0.000 0.448 53 V N 2.541 122.522 119.914 0.111 0.000 2.261 53 V HA -0.150 3.970 4.120 -0.000 0.000 0.246 53 V C 2.878 179.009 176.094 0.061 0.000 1.047 53 V CA 1.896 64.245 62.300 0.081 0.000 1.015 53 V CB -0.674 31.216 31.823 0.111 0.000 0.642 53 V HN 0.394 nan 8.190 nan 0.000 0.446 54 K N 0.276 120.721 120.400 0.076 0.000 2.113 54 K HA -0.205 4.115 4.320 -0.000 0.000 0.208 54 K C 2.143 178.781 176.600 0.064 0.000 1.047 54 K CA 1.554 57.885 56.287 0.072 0.000 0.928 54 K CB -0.359 32.183 32.500 0.070 0.000 0.716 54 K HN 0.467 nan 8.250 nan 0.000 0.446 55 K N 0.037 120.472 120.400 0.058 0.000 2.057 55 K HA -0.035 4.285 4.320 -0.000 0.000 0.206 55 K C 2.179 178.816 176.600 0.062 0.000 1.050 55 K CA 1.048 57.368 56.287 0.056 0.000 0.935 55 K CB -0.101 32.425 32.500 0.043 0.000 0.715 55 K HN 0.091 nan 8.250 nan 0.000 0.439 56 A N 1.707 124.547 122.820 0.033 0.000 1.902 56 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 56 A C 1.855 179.472 177.584 0.055 0.000 1.181 56 A CA 1.488 53.533 52.037 0.014 0.000 0.623 56 A CB -0.371 18.595 19.000 -0.057 0.000 0.818 56 A HN 0.287 nan 8.150 nan 0.000 0.443 57 E N -0.879 119.345 120.200 0.039 0.000 2.153 57 E HA -0.254 4.096 4.350 -0.000 0.000 0.194 57 E C 2.199 178.857 176.600 0.096 0.000 0.988 57 E CA 1.303 57.745 56.400 0.070 0.000 0.811 57 E CB -0.126 29.646 29.700 0.119 0.000 0.746 57 E HN 0.820 nan 8.360 nan 0.000 0.466 58 Q N 0.010 119.866 119.800 0.093 0.000 2.079 58 Q HA -0.220 4.120 4.340 -0.000 0.000 0.200 58 Q C 1.951 178.006 176.000 0.091 0.000 0.974 58 Q CA 1.330 57.182 55.803 0.082 0.000 0.840 58 Q CB -0.188 28.596 28.738 0.077 0.000 0.898 58 Q HN 0.333 nan 8.270 nan 0.000 0.430 59 Y N 0.677 120.975 120.300 -0.003 0.000 2.114 59 Y HA -0.245 4.305 4.550 0.000 0.000 0.284 59 Y C 1.725 177.617 175.900 -0.012 0.000 1.143 59 Y CA 1.898 59.991 58.100 -0.010 0.000 1.135 59 Y CB -0.278 38.170 38.460 -0.021 0.000 0.980 59 Y HN 0.114 nan 8.280 nan 0.000 0.499 60 L N -0.532 120.749 121.223 0.097 0.000 2.043 60 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 60 L C 2.469 179.311 176.870 -0.046 0.000 1.075 60 L CA 1.429 56.273 54.840 0.006 0.000 0.752 60 L CB -0.898 41.187 42.059 0.043 0.000 0.891 60 L HN 0.354 nan 8.230 nan 0.000 0.432 61 L N -0.063 121.155 121.223 -0.008 0.000 2.046 61 L HA -0.192 4.148 4.340 -0.000 0.000 0.208 61 L C 2.189 179.021 176.870 -0.064 0.000 1.077 61 L CA 1.835 56.666 54.840 -0.015 0.000 0.747 61 L CB -0.406 41.660 42.059 0.010 0.000 0.896 61 L HN 0.219 nan 8.230 nan 0.000 0.432 62 E N -1.296 118.840 120.200 -0.108 0.000 2.479 62 E HA 0.025 4.375 4.350 -0.000 0.000 0.193 62 E C 0.735 177.211 176.600 -0.206 0.000 1.049 62 E CA 0.414 56.735 56.400 -0.131 0.000 0.870 62 E CB 0.097 29.733 29.700 -0.107 0.000 0.944 62 E HN 0.684 nan 8.360 nan 0.000 0.492 63 N N -0.154 118.373 118.700 -0.289 0.000 2.168 63 N HA 0.035 4.775 4.740 -0.000 0.000 0.216 63 N C 0.238 175.633 175.510 -0.192 0.000 1.259 63 N CA -0.183 52.675 53.050 -0.320 0.000 0.902 63 N CB 1.050 39.134 38.487 -0.672 0.000 1.079 63 N HN -0.035 nan 8.380 nan 0.000 0.507 67 T N 0.493 115.027 114.554 -0.035 0.000 2.883 67 T HA 0.602 4.952 4.350 -0.000 0.000 0.301 67 T C -1.233 173.440 174.700 -0.044 0.000 1.158 67 T CA -0.622 61.455 62.100 -0.039 0.000 1.007 67 T CB 1.845 70.693 68.868 -0.034 0.000 1.186 67 T HN -0.019 nan 8.240 nan 0.000 0.499 68 K N 2.394 122.756 120.400 -0.064 0.000 2.537 68 K HA 0.211 4.531 4.320 -0.000 0.000 0.206 68 K C 0.526 177.052 176.600 -0.123 0.000 1.041 68 K CA -0.292 55.949 56.287 -0.077 0.000 1.090 68 K CB -0.196 32.253 32.500 -0.085 0.000 0.833 68 K HN 0.621 nan 8.250 nan 0.000 0.493 69 N N 0.945 119.584 118.700 -0.103 0.000 2.353 69 N HA -0.094 4.646 4.740 -0.000 0.000 0.248 69 N C -0.573 174.899 175.510 -0.063 0.000 1.240 69 N CA -0.109 52.871 53.050 -0.117 0.000 0.862 69 N CB 0.324 38.789 38.487 -0.037 0.000 1.086 69 N HN -0.074 nan 8.380 nan 0.000 0.453 70 Y N 2.195 122.496 120.300 0.002 0.000 3.032 70 Y HA -0.153 4.396 4.550 -0.000 0.000 0.344 70 Y C 0.864 176.766 175.900 0.003 0.000 1.273 70 Y CA 0.411 58.514 58.100 0.004 0.000 1.588 70 Y CB 0.250 38.712 38.460 0.004 0.000 1.209 70 Y HN 0.493 nan 8.280 nan 0.000 0.597 71 L N 3.771 125.110 121.223 0.193 0.000 2.968 71 L HA 0.339 4.679 4.340 -0.000 0.000 0.235 71 L C 0.765 177.682 176.870 0.078 0.000 1.323 71 L CA 0.379 55.278 54.840 0.099 0.000 1.159 71 L CB -0.910 41.183 42.059 0.056 0.000 1.523 71 L HN 0.856 nan 8.230 nan 0.000 0.468 72 G N -0.083 108.763 108.800 0.077 0.000 3.188 72 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.683 72 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.683 72 G C 1.101 176.019 174.900 0.030 0.000 1.164 72 G CA 0.027 45.154 45.100 0.045 0.000 1.059 72 G HN 0.341 nan 8.290 nan 0.000 0.570 73 I N 1.033 121.597 120.570 -0.010 0.000 2.181 73 I HA -0.258 3.912 4.170 -0.000 0.000 0.247 73 I C 2.313 178.429 176.117 -0.003 0.000 1.081 73 I CA 2.269 63.542 61.300 -0.045 0.000 1.340 73 I CB -0.202 37.735 38.000 -0.105 0.000 1.036 73 I HN 0.753 nan 8.210 nan 0.000 0.417 74 D N 0.429 120.858 120.400 0.048 0.000 2.325 74 D HA 0.207 4.847 4.640 -0.000 0.000 0.225 74 D C 0.990 177.375 176.300 0.141 0.000 1.096 74 D CA 0.659 54.742 54.000 0.139 0.000 0.844 74 D CB -0.238 40.741 40.800 0.299 0.000 0.925 74 D HN 0.404 nan 8.370 nan 0.000 0.513 75 G N 1.084 109.933 108.800 0.081 0.000 2.645 75 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.239 75 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.239 75 G C -0.205 174.722 174.900 0.045 0.000 1.331 75 G CA -0.318 44.801 45.100 0.032 0.000 0.890 75 G HN 0.348 nan 8.290 nan 0.000 0.572 76 I N 2.386 122.955 120.570 -0.002 0.000 2.664 76 I HA 0.074 4.244 4.170 -0.000 0.000 0.284 76 I C -0.856 175.336 176.117 0.124 0.000 1.154 76 I CA -1.060 60.266 61.300 0.044 0.000 1.402 76 I CB 1.034 39.040 38.000 0.009 0.000 1.395 76 I HN 0.295 nan 8.210 nan 0.000 0.545 77 P HA -0.207 nan 4.420 nan 0.000 0.214 77 P C 1.638 178.987 177.300 0.081 0.000 1.163 77 P CA 1.850 65.003 63.100 0.088 0.000 0.889 77 P CB 0.194 31.928 31.700 0.058 0.000 0.790 78 E N -0.804 119.433 120.200 0.062 0.000 2.118 78 E HA -0.250 4.100 4.350 -0.000 0.000 0.195 78 E C 1.764 178.381 176.600 0.028 0.000 0.992 78 E CA 1.421 57.838 56.400 0.028 0.000 0.804 78 E CB -1.916 27.788 29.700 0.007 0.000 0.741 78 E HN 0.303 nan 8.360 nan 0.000 0.458 79 F N 1.387 121.291 119.950 -0.076 0.000 2.075 79 F HA 0.048 4.575 4.527 -0.000 0.000 0.297 79 F C 2.607 178.379 175.800 -0.046 0.000 1.113 79 F CA 2.271 60.207 58.000 -0.106 0.000 1.218 79 F CB -0.546 38.387 39.000 -0.110 0.000 0.984 79 F HN 0.234 nan 8.300 nan 0.000 0.472 80 G N -0.329 108.570 108.800 0.166 0.000 2.440 80 G HA2 -0.338 3.622 3.960 -0.000 0.000 0.218 80 G HA3 -0.338 3.622 3.960 -0.000 0.000 0.218 80 G C 1.804 176.675 174.900 -0.049 0.000 1.154 80 G CA 1.546 46.687 45.100 0.067 0.000 0.767 80 G HN 0.583 nan 8.290 nan 0.000 0.552 81 R N -0.131 120.348 120.500 -0.034 0.000 2.066 81 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 81 R C 2.555 178.811 176.300 -0.073 0.000 1.131 81 R CA 1.748 57.826 56.100 -0.037 0.000 0.955 81 R CB -1.599 28.688 30.300 -0.020 0.000 0.851 81 R HN 0.436 nan 8.270 nan 0.000 0.432 82 C N 0.265 119.485 119.300 -0.133 0.000 2.422 82 C HA -0.107 4.353 4.460 -0.000 0.000 0.279 82 C C 3.187 178.073 174.990 -0.173 0.000 1.305 82 C CA 1.662 60.584 59.018 -0.161 0.000 1.757 82 C CB -0.650 26.952 27.740 -0.230 0.000 1.962 82 C HN 0.802 nan 8.230 nan 0.000 0.499 83 T N -1.431 112.966 114.554 -0.263 0.000 3.023 83 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 83 T C 1.601 176.224 174.700 -0.128 0.000 1.093 83 T CA 1.145 63.136 62.100 -0.181 0.000 1.129 83 T CB -0.338 68.376 68.868 -0.257 0.000 0.899 83 T HN 0.658 nan 8.240 nan 0.000 0.491 84 Q N 0.597 120.353 119.800 -0.073 0.000 2.123 84 Q HA -0.035 4.305 4.340 -0.000 0.000 0.199 84 Q C 2.404 178.429 176.000 0.042 0.000 0.966 84 Q CA 1.359 57.178 55.803 0.027 0.000 0.845 84 Q CB -0.040 28.782 28.738 0.139 0.000 0.907 84 Q HN 0.734 nan 8.270 nan 0.000 0.439 85 E N 0.841 121.051 120.200 0.017 0.000 2.072 85 E HA -0.131 4.219 4.350 -0.000 0.000 0.191 85 E C 2.097 178.701 176.600 0.005 0.000 0.985 85 E CA 0.676 57.096 56.400 0.032 0.000 0.801 85 E CB -0.054 29.657 29.700 0.018 0.000 0.750 85 E HN 0.299 nan 8.360 nan 0.000 0.452 86 L N 0.708 121.920 121.223 -0.017 0.000 2.131 86 L HA -0.178 4.162 4.340 -0.000 0.000 0.210 86 L C 2.364 179.202 176.870 -0.054 0.000 1.092 86 L CA 0.826 55.668 54.840 0.002 0.000 0.759 86 L CB -0.158 41.930 42.059 0.048 0.000 0.903 86 L HN 0.157 nan 8.230 nan 0.000 0.435 87 L N -2.122 118.975 121.223 -0.209 0.000 2.127 87 L HA -0.078 4.262 4.340 -0.000 0.000 0.203 87 L C 1.697 178.232 176.870 -0.557 0.000 1.080 87 L CA 0.902 55.466 54.840 -0.460 0.000 0.768 87 L CB -0.129 41.388 42.059 -0.902 0.000 0.924 87 L HN 0.149 nan 8.230 nan 0.000 0.444 88 F N -0.455 119.477 119.950 -0.030 0.000 2.706 88 F HA 0.456 4.983 4.527 -0.000 0.000 0.308 88 F C 1.141 176.924 175.800 -0.029 0.000 1.095 88 F CA -0.121 57.850 58.000 -0.048 0.000 1.244 88 F CB -0.048 38.920 39.000 -0.054 0.000 1.063 88 F HN 0.009 nan 8.300 nan 0.000 0.582 89 G N 0.607 109.474 108.800 0.113 0.000 2.785 89 G HA2 0.106 4.066 3.960 -0.000 0.000 0.686 89 G HA3 0.106 4.066 3.960 -0.000 0.000 0.686 89 G C 0.664 175.609 174.900 0.075 0.000 1.155 89 G CA -0.199 44.946 45.100 0.075 0.000 0.760 89 G HN 0.401 nan 8.290 nan 0.000 0.624 90 K N 0.491 120.919 120.400 0.047 0.000 2.015 90 K HA 0.076 4.396 4.320 -0.000 0.000 0.216 90 K C 2.628 179.247 176.600 0.031 0.000 1.052 90 K CA 2.549 58.857 56.287 0.036 0.000 0.937 90 K CB -0.756 31.758 32.500 0.023 0.000 0.719 90 K HN 2.348 nan 8.250 nan 0.000 0.446 91 G N 0.865 109.681 108.800 0.025 0.000 3.562 91 G HA2 0.347 4.307 3.960 -0.000 0.000 0.279 91 G HA3 0.347 4.307 3.960 -0.000 0.000 0.279 91 G C 0.239 175.147 174.900 0.013 0.000 1.314 91 G CA 0.507 45.616 45.100 0.015 0.000 1.189 91 G HN 0.569 nan 8.290 nan 0.000 0.562 92 S N -0.255 115.459 115.700 0.024 0.000 2.564 92 S HA 0.450 4.920 4.470 -0.000 0.000 0.278 92 S C 1.797 176.376 174.600 -0.036 0.000 1.333 92 S CA 0.172 58.376 58.200 0.007 0.000 1.048 92 S CB 1.160 64.386 63.200 0.044 0.000 0.900 92 S HN 0.484 nan 8.310 nan 0.000 0.505 93 A N 5.119 127.906 122.820 -0.055 0.000 1.930 93 A HA 0.024 4.344 4.320 -0.000 0.000 0.217 93 A C 2.092 179.613 177.584 -0.106 0.000 1.175 93 A CA 1.176 53.173 52.037 -0.067 0.000 0.627 93 A CB -0.782 18.182 19.000 -0.061 0.000 0.815 93 A HN 0.880 nan 8.150 nan 0.000 0.443 94 L N -0.498 120.618 121.223 -0.179 0.000 2.013 94 L HA -0.245 4.095 4.340 -0.000 0.000 0.212 94 L C 2.528 179.281 176.870 -0.196 0.000 1.073 94 L CA 1.728 56.406 54.840 -0.271 0.000 0.753 94 L CB -0.651 41.051 42.059 -0.595 0.000 0.890 94 L HN 0.405 nan 8.230 nan 0.000 0.432 95 I N -0.359 120.126 120.570 -0.141 0.000 2.252 95 I HA -0.282 3.888 4.170 -0.000 0.000 0.245 95 I C 2.088 178.174 176.117 -0.052 0.000 1.102 95 I CA 1.563 62.824 61.300 -0.065 0.000 1.385 95 I CB -0.507 37.491 38.000 -0.003 0.000 1.064 95 I HN 0.359 nan 8.210 nan 0.000 0.414 96 N N 0.778 119.450 118.700 -0.048 0.000 2.106 96 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 96 N C 0.788 176.274 175.510 -0.041 0.000 1.029 96 N CA 1.200 54.228 53.050 -0.036 0.000 0.848 96 N CB -0.062 38.407 38.487 -0.030 0.000 1.007 96 N HN 0.255 nan 8.380 nan 0.000 0.423 97 D N 0.417 120.785 120.400 -0.054 0.000 2.352 97 D HA 0.056 4.696 4.640 -0.000 0.000 0.232 97 D C 0.463 176.731 176.300 -0.054 0.000 1.055 97 D CA 0.454 54.424 54.000 -0.050 0.000 0.891 97 D CB -0.360 40.406 40.800 -0.056 0.000 0.897 97 D HN 0.220 nan 8.370 nan 0.000 0.529 98 K N 0.660 121.025 120.400 -0.059 0.000 3.177 98 K HA -0.318 4.002 4.320 -0.000 0.000 0.266 98 K C 1.070 177.627 176.600 -0.072 0.000 0.937 98 K CA 1.250 57.501 56.287 -0.061 0.000 0.702 98 K CB -2.997 29.478 32.500 -0.042 0.000 1.365 98 K HN 0.479 nan 8.250 nan 0.000 0.466 99 R N -0.982 119.461 120.500 -0.096 0.000 2.300 99 R HA 0.378 4.718 4.340 -0.000 0.000 0.199 99 R C 1.034 177.266 176.300 -0.114 0.000 0.920 99 R CA 0.736 56.779 56.100 -0.094 0.000 1.046 99 R CB 0.677 30.914 30.300 -0.105 0.000 0.984 99 R HN 0.755 nan 8.270 nan 0.000 0.493 100 A N 1.374 124.112 122.820 -0.136 0.000 2.337 100 A HA 0.646 4.965 4.320 -0.000 0.000 0.329 100 A C -0.691 176.788 177.584 -0.174 0.000 1.146 100 A CA -0.791 51.169 52.037 -0.127 0.000 0.800 100 A CB 0.987 19.927 19.000 -0.100 0.000 1.220 100 A HN -0.017 nan 8.150 nan 0.000 0.472 101 R N 1.326 121.660 120.500 -0.276 0.000 2.561 101 R HA 0.624 4.964 4.340 -0.000 0.000 0.297 101 R C -1.254 174.730 176.300 -0.527 0.000 0.969 101 R CA -0.427 55.302 56.100 -0.619 0.000 0.879 101 R CB 1.386 30.964 30.300 -1.204 0.000 1.178 101 R HN 0.655 nan 8.270 nan 0.000 0.445 102 T N 1.266 115.609 114.554 -0.351 0.000 2.807 102 T HA 0.647 4.997 4.350 -0.000 0.000 0.279 102 T C -0.525 174.295 174.700 0.199 0.000 0.993 102 T CA -0.557 61.529 62.100 -0.023 0.000 0.970 102 T CB 1.776 70.676 68.868 0.052 0.000 0.950 102 T HN 0.596 nan 8.240 nan 0.000 0.441 103 A N 3.191 126.228 122.820 0.362 0.000 2.288 103 A HA 0.570 4.890 4.320 -0.000 0.000 0.320 103 A C 0.072 177.844 177.584 0.313 0.000 1.217 103 A CA -0.725 51.555 52.037 0.404 0.000 0.840 103 A CB 0.785 20.004 19.000 0.365 0.000 1.179 103 A HN 0.780 nan 8.150 nan 0.000 0.504 104 Q N 1.694 121.646 119.800 0.254 0.000 2.313 104 Q HA 0.393 4.733 4.340 -0.000 0.000 0.266 104 Q C -0.016 176.038 176.000 0.090 0.000 0.989 104 Q CA 0.439 56.302 55.803 0.101 0.000 0.890 104 Q CB 0.495 29.082 28.738 -0.252 0.000 1.200 104 Q HN 0.846 nan 8.270 nan 0.000 0.396 105 T N 0.684 115.279 114.554 0.070 0.000 2.887 105 T HA 0.602 4.952 4.350 -0.000 0.000 0.292 105 T C -2.711 171.928 174.700 -0.102 0.000 1.087 105 T CA -2.039 60.085 62.100 0.041 0.000 1.009 105 T CB 1.871 70.807 68.868 0.112 0.000 1.203 105 T HN 0.475 nan 8.240 nan 0.000 0.518 106 P HA 0.430 nan 4.420 nan 0.000 0.247 106 P C 0.691 177.925 177.300 -0.109 0.000 1.756 106 P CA 0.590 63.550 63.100 -0.233 0.000 1.117 106 P CB -0.372 31.084 31.700 -0.407 0.000 1.869 107 G N 2.813 111.585 108.800 -0.047 0.000 2.796 107 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.571 107 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.571 107 G C 0.848 175.744 174.900 -0.007 0.000 1.370 107 G CA -0.465 44.626 45.100 -0.016 0.000 0.856 107 G HN 0.434 nan 8.290 nan 0.000 0.538 108 G N -1.413 107.362 108.800 -0.041 0.000 2.403 108 G HA2 0.106 4.066 3.960 -0.000 0.000 0.216 108 G HA3 0.106 4.066 3.960 -0.000 0.000 0.216 108 G C 1.867 176.773 174.900 0.010 0.000 1.154 108 G CA 2.357 47.427 45.100 -0.050 0.000 0.784 108 G HN 1.262 nan 8.290 nan 0.000 0.538 109 T N 1.091 115.667 114.554 0.036 0.000 2.684 109 T HA -0.075 4.275 4.350 -0.000 0.000 0.267 109 T C 2.497 177.249 174.700 0.087 0.000 1.036 109 T CA 1.511 63.695 62.100 0.140 0.000 1.148 109 T CB -0.583 68.411 68.868 0.210 0.000 0.863 109 T HN 0.344 nan 8.240 nan 0.000 0.436 110 G N 0.972 109.800 108.800 0.046 0.000 2.422 110 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.218 110 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.218 110 G C 1.814 176.772 174.900 0.096 0.000 1.146 110 G CA 0.873 45.997 45.100 0.039 0.000 0.769 110 G HN 0.588 nan 8.290 nan 0.000 0.547 111 A N 0.433 123.309 122.820 0.092 0.000 1.930 111 A HA 0.149 4.469 4.320 -0.000 0.000 0.217 111 A C 2.406 180.075 177.584 0.141 0.000 1.175 111 A CA 1.087 53.200 52.037 0.126 0.000 0.627 111 A CB -0.333 18.734 19.000 0.112 0.000 0.815 111 A HN 0.355 nan 8.150 nan 0.000 0.443 112 L N -1.068 120.230 121.223 0.125 0.000 2.093 112 L HA -0.142 4.198 4.340 -0.000 0.000 0.208 112 L C 2.740 179.667 176.870 0.095 0.000 1.085 112 L CA 1.551 56.469 54.840 0.131 0.000 0.755 112 L CB -0.336 41.786 42.059 0.104 0.000 0.904 112 L HN 0.437 nan 8.230 nan 0.000 0.435 113 R N 0.768 121.310 120.500 0.070 0.000 2.075 113 R HA -0.124 4.216 4.340 -0.000 0.000 0.232 113 R C 2.086 178.468 176.300 0.137 0.000 1.126 113 R CA 2.056 58.196 56.100 0.066 0.000 0.963 113 R CB -0.970 29.366 30.300 0.061 0.000 0.858 113 R HN 0.309 nan 8.270 nan 0.000 0.435 114 V N -1.183 118.830 119.914 0.165 0.000 2.427 114 V HA 0.012 4.132 4.120 -0.000 0.000 0.248 114 V C 2.234 178.464 176.094 0.226 0.000 1.051 114 V CA 1.609 64.016 62.300 0.178 0.000 1.048 114 V CB -1.324 30.601 31.823 0.170 0.000 0.666 114 V HN 0.344 nan 8.190 nan 0.000 0.456 115 A N 0.900 123.864 122.820 0.239 0.000 1.902 115 A HA 0.055 4.375 4.320 -0.000 0.000 0.217 115 A C 2.522 180.328 177.584 0.371 0.000 1.181 115 A CA 2.508 54.735 52.037 0.317 0.000 0.623 115 A CB -1.145 18.032 19.000 0.295 0.000 0.818 115 A HN 0.965 nan 8.150 nan 0.000 0.443 116 A N -0.119 122.900 122.820 0.331 0.000 1.902 116 A HA -0.176 4.144 4.320 -0.000 0.000 0.217 116 A C 1.807 179.524 177.584 0.221 0.000 1.181 116 A CA 1.945 54.179 52.037 0.328 0.000 0.623 116 A CB -0.603 18.605 19.000 0.347 0.000 0.818 116 A HN 0.443 nan 8.150 nan 0.000 0.443 117 D N -1.123 119.393 120.400 0.193 0.000 2.117 117 D HA -0.120 4.520 4.640 -0.000 0.000 0.197 117 D C 1.604 177.997 176.300 0.155 0.000 0.987 117 D CA 1.250 55.335 54.000 0.142 0.000 0.829 117 D CB -0.452 40.421 40.800 0.121 0.000 0.961 117 D HN 0.452 nan 8.370 nan 0.000 0.460 118 F N 1.297 121.291 119.950 0.073 0.000 2.126 118 F HA -0.148 4.379 4.527 -0.000 0.000 0.299 118 F C 1.982 177.825 175.800 0.072 0.000 1.096 118 F CA 1.260 59.298 58.000 0.064 0.000 1.255 118 F CB -0.368 38.681 39.000 0.082 0.000 0.997 118 F HN -0.094 nan 8.300 nan 0.000 0.479 119 L N -0.104 121.074 121.223 -0.075 0.000 2.072 119 L HA -0.094 4.246 4.340 -0.000 0.000 0.205 119 L C 2.819 179.612 176.870 -0.128 0.000 1.079 119 L CA 1.103 55.834 54.840 -0.183 0.000 0.752 119 L CB -1.240 40.840 42.059 0.036 0.000 0.906 119 L HN 0.223 nan 8.230 nan 0.000 0.436 120 A N 0.064 122.866 122.820 -0.030 0.000 1.969 120 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 120 A C 2.232 179.790 177.584 -0.043 0.000 1.169 120 A CA 1.511 53.537 52.037 -0.018 0.000 0.635 120 A CB -0.230 18.786 19.000 0.026 0.000 0.810 120 A HN 0.328 nan 8.150 nan 0.000 0.445 121 K N -0.781 119.581 120.400 -0.063 0.000 2.356 121 K HA 0.117 4.437 4.320 -0.000 0.000 0.195 121 K C 0.624 177.165 176.600 -0.099 0.000 1.037 121 K CA 0.666 56.919 56.287 -0.058 0.000 1.014 121 K CB 0.220 32.706 32.500 -0.023 0.000 0.815 121 K HN 0.395 nan 8.250 nan 0.000 0.507 122 N N 0.236 118.817 118.700 -0.198 0.000 2.159 122 N HA 0.005 4.745 4.740 -0.000 0.000 0.217 122 N C 0.149 175.538 175.510 -0.201 0.000 1.223 122 N CA 0.369 53.289 53.050 -0.216 0.000 0.896 122 N CB 1.412 39.700 38.487 -0.332 0.000 1.064 122 N HN 0.175 nan 8.380 nan 0.000 0.518 123 T N -2.168 112.274 114.554 -0.187 0.000 2.724 123 T HA 0.320 4.670 4.350 -0.000 0.000 0.274 123 T C 1.019 175.684 174.700 -0.058 0.000 0.984 123 T CA -0.418 61.613 62.100 -0.116 0.000 1.024 123 T CB 1.395 70.188 68.868 -0.125 0.000 1.320 123 T HN -0.080 nan 8.240 nan 0.000 0.555 124 S N -0.752 114.934 115.700 -0.023 0.000 2.535 124 S HA 0.235 4.705 4.470 -0.000 0.000 0.214 124 S C 0.717 175.322 174.600 0.009 0.000 0.980 124 S CA -0.395 57.804 58.200 -0.002 0.000 0.907 124 S CB -0.505 62.704 63.200 0.014 0.000 0.790 124 S HN 0.659 nan 8.310 nan 0.000 0.510 125 V N 2.760 122.678 119.914 0.007 0.000 2.681 125 V HA 0.385 4.505 4.120 -0.000 0.000 0.306 125 V C 0.717 176.816 176.094 0.008 0.000 1.077 125 V CA 0.991 63.303 62.300 0.020 0.000 1.224 125 V CB -0.750 31.084 31.823 0.017 0.000 0.879 125 V HN 0.779 nan 8.190 nan 0.000 0.494 134 W N 3.203 124.330 121.300 -0.288 0.000 2.349 134 W HA 0.775 5.435 4.660 -0.000 0.000 0.309 134 W C -0.328 176.094 176.519 -0.163 0.000 1.083 134 W CA -0.527 56.711 57.345 -0.179 0.000 1.224 134 W CB 1.805 31.153 29.460 -0.185 0.000 1.256 134 W HN 0.387 nan 8.180 nan 0.000 0.461 135 V N 3.521 123.400 119.914 -0.059 0.000 2.680 135 V HA 0.385 4.505 4.120 -0.000 0.000 0.309 135 V C 0.263 175.966 176.094 -0.652 0.000 1.052 135 V CA -1.178 60.992 62.300 -0.217 0.000 0.908 135 V CB 1.830 33.599 31.823 -0.090 0.000 1.001 135 V HN 0.562 nan 8.190 nan 0.000 0.431 136 S N 2.942 118.095 115.700 -0.912 0.000 2.573 136 S HA 0.158 4.628 4.470 -0.000 0.000 0.277 136 S C -0.167 174.153 174.600 -0.467 0.000 1.346 136 S CA -0.236 57.275 58.200 -1.148 0.000 1.034 136 S CB 0.201 62.932 63.200 -0.782 0.000 0.879 136 S HN 0.804 nan 8.310 nan 0.000 0.528 137 N N 2.700 121.216 118.700 -0.308 0.000 2.518 137 N HA 0.502 5.242 4.740 -0.000 0.000 0.254 137 N C -2.393 173.124 175.510 0.011 0.000 0.979 137 N CA -1.817 51.179 53.050 -0.090 0.000 0.930 137 N CB 1.383 39.852 38.487 -0.030 0.000 1.152 137 N HN 0.492 nan 8.380 nan 0.000 0.505 138 P HA 0.402 nan 4.420 nan 0.000 0.297 138 P C -0.776 176.497 177.300 -0.045 0.000 1.307 138 P CA -0.412 62.668 63.100 -0.034 0.000 0.773 138 P CB 1.593 33.266 31.700 -0.045 0.000 1.265 139 S N -2.315 113.373 115.700 -0.021 0.000 2.683 139 S HA 0.327 4.797 4.470 -0.000 0.000 0.269 139 S C -2.039 172.614 174.600 0.088 0.000 1.165 139 S CA -0.693 57.530 58.200 0.038 0.000 0.840 139 S CB -0.254 63.074 63.200 0.213 0.000 1.169 139 S HN 0.440 nan 8.310 nan 0.000 0.490 140 W N 3.595 124.824 121.300 -0.118 0.000 2.397 140 W HA 0.357 5.017 4.660 -0.000 0.000 0.327 140 W C -2.245 174.143 176.519 -0.219 0.000 1.421 140 W CA -1.310 55.865 57.345 -0.283 0.000 1.288 140 W CB 0.223 29.346 29.460 -0.561 0.000 1.312 140 W HN 0.531 nan 8.180 nan 0.000 0.559 141 P HA -0.270 nan 4.420 nan 0.000 0.217 141 P C 1.261 178.216 177.300 -0.576 0.000 1.148 141 P CA 1.969 64.843 63.100 -0.377 0.000 0.828 141 P CB 0.240 31.759 31.700 -0.300 0.000 0.783 142 N N -1.854 116.129 118.700 -1.195 0.000 2.512 142 N HA -0.109 4.631 4.740 -0.000 0.000 0.183 142 N C 1.466 176.537 175.510 -0.732 0.000 1.073 142 N CA 0.644 53.004 53.050 -1.151 0.000 0.911 142 N CB -0.543 36.842 38.487 -1.837 0.000 0.964 142 N HN 0.300 nan 8.380 nan 0.000 0.447 143 H N -0.261 118.537 119.070 -0.454 0.000 2.290 143 H HA -0.115 4.441 4.556 -0.000 0.000 0.298 143 H C 1.961 177.223 175.328 -0.110 0.000 1.087 143 H CA 1.430 57.405 56.048 -0.122 0.000 1.291 143 H CB 0.160 30.026 29.762 0.173 0.000 1.369 143 H HN 0.158 nan 8.280 nan 0.000 0.492 144 K N 0.576 121.025 120.400 0.081 0.000 2.063 144 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 144 K C 2.279 178.864 176.600 -0.025 0.000 1.048 144 K CA 1.654 57.982 56.287 0.069 0.000 0.928 144 K CB 0.011 32.510 32.500 -0.002 0.000 0.713 144 K HN 0.125 nan 8.250 nan 0.000 0.442 145 S N 0.462 116.080 115.700 -0.136 0.000 2.382 145 S HA -0.107 4.363 4.470 -0.000 0.000 0.228 145 S C 1.938 176.442 174.600 -0.161 0.000 1.027 145 S CA 1.290 59.400 58.200 -0.151 0.000 0.991 145 S CB -0.117 62.959 63.200 -0.205 0.000 0.823 145 S HN 0.145 nan 8.310 nan 0.000 0.469 146 V N 1.058 120.811 119.914 -0.268 0.000 2.307 146 V HA -0.124 3.996 4.120 -0.000 0.000 0.245 146 V C 1.940 177.865 176.094 -0.281 0.000 1.045 146 V CA 1.639 63.742 62.300 -0.328 0.000 1.024 146 V CB -0.814 30.703 31.823 -0.510 0.000 0.651 146 V HN 0.390 nan 8.190 nan 0.000 0.449 147 F N 0.700 120.656 119.950 0.009 0.000 2.163 147 F HA -0.051 4.476 4.527 -0.000 0.000 0.297 147 F C 2.354 178.143 175.800 -0.019 0.000 1.094 147 F CA 1.037 59.036 58.000 -0.002 0.000 1.290 147 F CB -1.081 37.907 39.000 -0.020 0.000 1.017 147 F HN 0.163 nan 8.300 nan 0.000 0.483 148 N N -0.041 118.727 118.700 0.115 0.000 2.223 148 N HA -0.137 4.603 4.740 -0.000 0.000 0.185 148 N C 1.961 177.487 175.510 0.027 0.000 1.016 148 N CA 1.356 54.435 53.050 0.048 0.000 0.863 148 N CB -0.566 37.926 38.487 0.007 0.000 0.983 148 N HN 0.123 nan 8.380 nan 0.000 0.429 149 S N 0.316 116.021 115.700 0.008 0.000 2.402 149 S HA -0.004 4.466 4.470 -0.000 0.000 0.229 149 S C 1.778 176.391 174.600 0.023 0.000 1.021 149 S CA 0.954 59.154 58.200 0.001 0.000 0.974 149 S CB -0.096 63.090 63.200 -0.023 0.000 0.800 149 S HN 0.494 nan 8.310 nan 0.000 0.484 150 A N 0.094 122.945 122.820 0.051 0.000 2.238 150 A HA 0.500 4.820 4.320 -0.000 0.000 0.208 150 A C 1.633 179.253 177.584 0.059 0.000 1.177 150 A CA 0.848 52.926 52.037 0.068 0.000 0.804 150 A CB -0.644 18.424 19.000 0.114 0.000 0.823 150 A HN 0.805 nan 8.150 nan 0.000 0.482 151 G N -1.839 106.991 108.800 0.049 0.000 2.176 151 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.232 151 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.232 151 G C 0.128 175.047 174.900 0.030 0.000 0.986 151 G CA 0.198 45.317 45.100 0.032 0.000 0.643 151 G HN 0.259 nan 8.290 nan 0.000 0.522 155 V N 2.375 122.192 119.914 -0.162 0.000 2.417 155 V HA 0.587 4.707 4.120 -0.000 0.000 0.291 155 V C -0.315 175.575 176.094 -0.341 0.000 1.024 155 V CA -0.725 61.440 62.300 -0.225 0.000 0.861 155 V CB 1.341 33.116 31.823 -0.080 0.000 0.985 155 V HN 0.549 nan 8.190 nan 0.000 0.436 156 R N 3.070 123.221 120.500 -0.581 0.000 2.637 156 R HA 0.585 4.925 4.340 -0.000 0.000 0.291 156 R C -0.479 175.529 176.300 -0.486 0.000 0.963 156 R CA -0.633 55.011 56.100 -0.761 0.000 0.901 156 R CB 2.117 31.399 30.300 -1.697 0.000 1.160 156 R HN 0.721 nan 8.270 nan 0.000 0.457 157 E N 2.242 122.301 120.200 -0.235 0.000 2.204 157 E HA 0.283 4.633 4.350 -0.000 0.000 0.276 157 E C -0.853 175.864 176.600 0.195 0.000 0.974 157 E CA -0.711 55.650 56.400 -0.065 0.000 0.815 157 E CB 1.578 31.230 29.700 -0.080 0.000 1.119 157 E HN 0.413 nan 8.360 nan 0.000 0.393 158 Y N -0.227 120.194 120.300 0.202 0.000 2.468 158 Y HA 0.719 5.269 4.550 -0.000 0.000 0.342 158 Y C -0.151 175.833 175.900 0.139 0.000 1.021 158 Y CA -1.551 56.666 58.100 0.195 0.000 1.079 158 Y CB 0.616 39.154 38.460 0.130 0.000 1.226 158 Y HN 0.489 nan 8.280 nan 0.000 0.460 159 A N 2.130 125.146 122.820 0.327 0.000 2.448 159 A HA 0.316 4.636 4.320 -0.000 0.000 0.239 159 A C -0.528 177.288 177.584 0.387 0.000 1.080 159 A CA 0.652 52.837 52.037 0.246 0.000 0.779 159 A CB -0.170 18.926 19.000 0.160 0.000 1.026 159 A HN 1.135 nan 8.150 nan 0.000 0.499 160 Y N -0.619 119.753 120.300 0.121 0.000 2.773 160 Y HA 0.179 4.729 4.550 -0.000 0.000 0.263 160 Y C -0.474 175.486 175.900 0.099 0.000 1.106 160 Y CA -0.026 58.141 58.100 0.111 0.000 1.153 160 Y CB 0.103 38.580 38.460 0.028 0.000 1.388 160 Y HN 0.674 nan 8.280 nan 0.000 0.514 161 Y N 2.948 123.277 120.300 0.048 0.000 2.361 161 Y HA 0.440 4.990 4.550 -0.000 0.000 0.332 161 Y C -0.624 175.251 175.900 -0.042 0.000 1.101 161 Y CA -1.345 56.733 58.100 -0.037 0.000 1.137 161 Y CB 0.955 39.436 38.460 0.036 0.000 1.207 161 Y HN 0.109 nan 8.280 nan 0.000 0.463 162 D N 4.797 124.851 120.400 -0.578 0.000 2.485 162 D HA 0.279 4.919 4.640 -0.000 0.000 0.229 162 D C 0.486 176.196 176.300 -0.983 0.000 1.101 162 D CA 0.141 53.806 54.000 -0.557 0.000 0.906 162 D CB 1.097 41.686 40.800 -0.351 0.000 1.019 162 D HN 0.815 nan 8.370 nan 0.000 0.516 163 A N 3.037 125.350 122.820 -0.845 0.000 2.070 163 A HA -0.127 4.193 4.320 -0.000 0.000 0.220 163 A C 1.937 179.079 177.584 -0.736 0.000 1.159 163 A CA 1.970 53.554 52.037 -0.754 0.000 0.656 163 A CB -0.354 18.502 19.000 -0.240 0.000 0.800 163 A HN 0.579 nan 8.150 nan 0.000 0.453 164 E N 0.020 119.908 120.200 -0.521 0.000 2.216 164 E HA -0.088 4.262 4.350 -0.000 0.000 0.192 164 E C 1.314 177.659 176.600 -0.425 0.000 0.988 164 E CA 1.176 57.337 56.400 -0.399 0.000 0.834 164 E CB -0.874 28.687 29.700 -0.233 0.000 0.772 164 E HN 0.903 nan 8.360 nan 0.000 0.479 165 N N -1.202 117.222 118.700 -0.459 0.000 2.170 165 N HA 0.144 4.884 4.740 -0.000 0.000 0.222 165 N C -0.773 174.611 175.510 -0.211 0.000 1.218 165 N CA 0.031 52.928 53.050 -0.255 0.000 0.889 165 N CB 0.605 39.002 38.487 -0.150 0.000 1.083 165 N HN 0.425 nan 8.380 nan 0.000 0.520 166 H N 0.206 119.038 119.070 -0.398 0.000 2.626 166 H HA -0.168 4.388 4.556 -0.000 0.000 0.317 166 H C -0.205 175.084 175.328 -0.066 0.000 1.140 166 H CA 1.119 56.974 56.048 -0.322 0.000 1.134 166 H CB -1.511 27.969 29.762 -0.471 0.000 1.486 166 H HN 0.126 nan 8.280 nan 0.000 0.417 167 T N -1.077 113.399 114.554 -0.131 0.000 2.838 167 T HA 0.526 4.876 4.350 -0.000 0.000 0.292 167 T C -0.499 174.152 174.700 -0.081 0.000 1.113 167 T CA -0.995 61.092 62.100 -0.022 0.000 1.008 167 T CB 1.449 70.291 68.868 -0.044 0.000 1.259 167 T HN 0.286 nan 8.240 nan 0.000 0.520 168 L N 2.359 123.521 121.223 -0.101 0.000 2.367 168 L HA 0.368 4.708 4.340 -0.000 0.000 0.275 168 L C -0.346 176.428 176.870 -0.161 0.000 1.129 168 L CA -0.204 54.489 54.840 -0.244 0.000 0.839 168 L CB 0.676 42.547 42.059 -0.313 0.000 1.133 168 L HN 0.672 nan 8.230 nan 0.000 0.453 169 D N 4.249 124.552 120.400 -0.162 0.000 2.524 169 D HA -0.011 4.629 4.640 -0.000 0.000 0.222 169 D C 0.799 177.104 176.300 0.009 0.000 1.142 169 D CA -0.193 53.769 54.000 -0.064 0.000 0.973 169 D CB 0.290 41.054 40.800 -0.061 0.000 1.025 169 D HN 0.453 nan 8.370 nan 0.000 0.519 170 F N 1.926 121.804 119.950 -0.121 0.000 2.250 170 F HA -0.156 4.371 4.527 -0.000 0.000 0.301 170 F C 1.338 177.116 175.800 -0.036 0.000 1.077 170 F CA 1.402 59.352 58.000 -0.083 0.000 1.348 170 F CB 0.239 39.193 39.000 -0.077 0.000 1.040 170 F HN 0.240 nan 8.300 nan 0.000 0.509 171 D N -0.452 119.921 120.400 -0.044 0.000 2.162 171 D HA 0.009 4.649 4.640 -0.000 0.000 0.203 171 D C 2.321 178.560 176.300 -0.102 0.000 0.967 171 D CA 1.205 55.137 54.000 -0.115 0.000 0.840 171 D CB -0.313 40.467 40.800 -0.033 0.000 0.972 171 D HN 0.267 nan 8.370 nan 0.000 0.482 172 A N 0.408 123.198 122.820 -0.050 0.000 1.929 172 A HA -0.047 4.273 4.320 -0.000 0.000 0.216 172 A C 2.058 179.641 177.584 -0.002 0.000 1.176 172 A CA 0.629 52.657 52.037 -0.015 0.000 0.628 172 A CB -0.699 18.307 19.000 0.010 0.000 0.816 172 A HN 0.273 nan 8.150 nan 0.000 0.444 173 L N -0.331 120.882 121.223 -0.017 0.000 1.961 173 L HA -0.157 4.183 4.340 -0.000 0.000 0.210 173 L C 2.407 179.210 176.870 -0.111 0.000 1.072 173 L CA 1.842 56.692 54.840 0.016 0.000 0.749 173 L CB -0.293 41.789 42.059 0.039 0.000 0.889 173 L HN 0.395 nan 8.230 nan 0.000 0.432 174 I N 0.581 120.996 120.570 -0.259 0.000 2.361 174 I HA -0.297 3.873 4.170 -0.000 0.000 0.251 174 I C 2.724 178.762 176.117 -0.132 0.000 1.133 174 I CA 1.487 62.642 61.300 -0.240 0.000 1.413 174 I CB -1.001 36.748 38.000 -0.418 0.000 1.073 174 I HN 0.544 nan 8.210 nan 0.000 0.424 175 N N 0.033 118.667 118.700 -0.111 0.000 2.309 175 N HA -0.138 4.602 4.740 -0.000 0.000 0.182 175 N C 1.887 177.379 175.510 -0.030 0.000 1.018 175 N CA 1.642 54.657 53.050 -0.058 0.000 0.876 175 N CB -0.472 37.990 38.487 -0.041 0.000 0.972 175 N HN 0.296 nan 8.380 nan 0.000 0.434 176 S N 0.124 115.811 115.700 -0.021 0.000 2.388 176 S HA 0.194 4.664 4.470 -0.000 0.000 0.223 176 S C 1.771 176.304 174.600 -0.111 0.000 1.034 176 S CA 0.326 58.537 58.200 0.019 0.000 0.963 176 S CB -0.067 63.211 63.200 0.130 0.000 0.827 176 S HN 0.521 nan 8.310 nan 0.000 0.481 177 L N 2.120 123.212 121.223 -0.219 0.000 2.622 177 L HA -0.012 4.328 4.340 -0.000 0.000 0.233 177 L C 2.548 179.314 176.870 -0.173 0.000 1.156 177 L CA 0.569 55.141 54.840 -0.446 0.000 0.866 177 L CB -1.326 40.447 42.059 -0.477 0.000 0.980 177 L HN 0.509 nan 8.230 nan 0.000 0.448 178 N N 0.477 119.131 118.700 -0.076 0.000 2.309 178 N HA -0.169 4.571 4.740 -0.000 0.000 0.182 178 N C 1.874 177.373 175.510 -0.019 0.000 1.018 178 N CA 1.320 54.368 53.050 -0.003 0.000 0.876 178 N CB -0.510 37.971 38.487 -0.010 0.000 0.972 178 N HN 0.578 nan 8.380 nan 0.000 0.434 179 E N -0.503 119.645 120.200 -0.086 0.000 2.502 179 E HA 0.601 4.951 4.350 -0.000 0.000 0.194 179 E C 1.119 177.687 176.600 -0.052 0.000 1.062 179 E CA 0.325 56.723 56.400 -0.003 0.000 0.867 179 E CB -0.632 29.148 29.700 0.134 0.000 0.888 179 E HN 1.012 nan 8.360 nan 0.000 0.510 180 A N 0.965 123.568 122.820 -0.362 0.000 2.437 180 A HA 0.580 4.900 4.320 -0.000 0.000 0.303 180 A C 0.882 178.578 177.584 0.186 0.000 1.324 180 A CA 0.368 52.160 52.037 -0.410 0.000 0.983 180 A CB -0.811 17.441 19.000 -1.247 0.000 1.142 180 A HN 0.715 nan 8.150 nan 0.000 0.541 181 Q N 1.274 121.209 119.800 0.225 0.000 2.584 181 Q HA 0.567 4.907 4.340 -0.000 0.000 0.218 181 Q C 0.625 176.786 176.000 0.269 0.000 1.079 181 Q CA 0.097 56.028 55.803 0.213 0.000 1.008 181 Q CB 0.058 28.901 28.738 0.175 0.000 1.267 181 Q HN 2.218 nan 8.270 nan 0.000 0.586 182 A N -0.622 122.301 122.820 0.173 0.000 2.425 182 A HA 0.574 4.894 4.320 -0.000 0.000 0.249 182 A C 1.628 179.320 177.584 0.179 0.000 1.084 182 A CA 0.899 53.032 52.037 0.160 0.000 0.781 182 A CB -0.384 18.656 19.000 0.067 0.000 1.019 182 A HN 2.577 nan 8.150 nan 0.000 0.490 183 G N 1.422 110.343 108.800 0.202 0.000 2.195 183 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.246 183 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.246 183 G C -0.040 174.973 174.900 0.188 0.000 0.984 183 G CA 0.352 45.552 45.100 0.168 0.000 0.633 183 G HN 0.806 nan 8.290 nan 0.000 0.525 184 D N 0.135 120.687 120.400 0.253 0.000 2.313 184 D HA 0.536 5.176 4.640 -0.000 0.000 0.247 184 D C 0.520 176.938 176.300 0.197 0.000 1.094 184 D CA -0.111 54.034 54.000 0.241 0.000 0.925 184 D CB 1.824 42.822 40.800 0.330 0.000 1.188 184 D HN 0.141 nan 8.370 nan 0.000 0.430 185 V N 1.742 121.736 119.914 0.133 0.000 2.472 185 V HA 0.355 4.475 4.120 -0.000 0.000 0.290 185 V C 0.054 176.140 176.094 -0.012 0.000 1.037 185 V CA -0.646 61.685 62.300 0.051 0.000 0.908 185 V CB 1.866 33.667 31.823 -0.036 0.000 0.985 185 V HN 0.226 nan 8.190 nan 0.000 0.454 186 V N 5.583 125.423 119.914 -0.122 0.000 2.444 186 V HA 0.376 4.496 4.120 -0.000 0.000 0.294 186 V C -0.334 175.505 176.094 -0.425 0.000 1.022 186 V CA -0.680 61.421 62.300 -0.332 0.000 0.850 186 V CB 1.793 33.196 31.823 -0.701 0.000 0.992 186 V HN 0.602 nan 8.190 nan 0.000 0.426 187 L N 5.701 126.696 121.223 -0.379 0.000 2.319 187 L HA 0.584 4.924 4.340 -0.000 0.000 0.280 187 L C -1.162 175.432 176.870 -0.460 0.000 1.099 187 L CA 0.518 55.158 54.840 -0.333 0.000 0.828 187 L CB 0.634 42.543 42.059 -0.250 0.000 1.150 187 L HN 0.499 nan 8.230 nan 0.000 0.442 188 F N 3.454 123.290 119.950 -0.190 0.000 2.551 188 F HA 0.428 4.955 4.527 -0.000 0.000 0.316 188 F C 0.403 176.232 175.800 0.048 0.000 1.089 188 F CA -0.668 57.235 58.000 -0.161 0.000 0.915 188 F CB 1.359 39.851 39.000 -0.847 0.000 1.186 188 F HN 0.421 nan 8.300 nan 0.000 0.456 189 H N 1.795 121.069 119.070 0.340 0.000 2.594 189 H HA 0.188 4.744 4.556 -0.000 0.000 0.304 189 H C 1.002 176.657 175.328 0.546 0.000 1.068 189 H CA -0.039 56.240 56.048 0.383 0.000 1.308 189 H CB 1.615 31.579 29.762 0.335 0.000 1.409 189 H HN 0.957 nan 8.280 nan 0.000 0.460 190 G N 3.163 112.323 108.800 0.600 0.000 2.513 190 G HA2 -0.235 3.724 3.960 -0.000 0.000 0.219 190 G HA3 -0.235 3.724 3.960 -0.000 0.000 0.219 190 G C 0.605 175.904 174.900 0.665 0.000 1.160 190 G CA 1.281 46.633 45.100 0.421 0.000 0.767 190 G HN 0.772 nan 8.290 nan 0.000 0.571 191 C N -5.391 114.359 119.300 0.749 0.000 3.292 191 C HA 0.520 4.980 4.460 -0.000 0.000 0.338 191 C C 0.331 175.625 174.990 0.507 0.000 1.323 191 C CA -0.955 58.431 59.018 0.614 0.000 1.232 191 C CB 0.678 28.744 27.740 0.543 0.000 1.517 191 C HN 1.028 nan 8.230 nan 0.000 0.470 192 C N 2.528 122.050 119.300 0.370 0.000 3.690 192 C HA -0.118 4.342 4.460 -0.000 0.000 0.295 192 C C 0.580 175.715 174.990 0.241 0.000 1.283 192 C CA 1.123 60.262 59.018 0.203 0.000 2.212 192 C CB -3.342 24.397 27.740 -0.001 0.000 1.407 192 C HN 1.284 nan 8.230 nan 0.000 0.595 193 H N 1.758 120.966 119.070 0.230 0.000 3.038 193 H HA 0.090 4.646 4.556 -0.000 0.000 0.338 193 H C 0.426 175.820 175.328 0.110 0.000 1.041 193 H CA 1.359 57.505 56.048 0.162 0.000 1.394 193 H CB 0.558 30.317 29.762 -0.004 0.000 1.357 193 H HN 0.718 nan 8.280 nan 0.000 0.600 194 N N 5.847 124.376 118.700 -0.285 0.000 2.392 194 N HA 0.172 4.912 4.740 -0.000 0.000 0.283 194 N C -2.235 173.036 175.510 -0.397 0.000 1.003 194 N CA -2.261 50.689 53.050 -0.167 0.000 0.892 194 N CB 1.840 40.325 38.487 -0.003 0.000 1.193 194 N HN 0.390 nan 8.380 nan 0.000 0.487 195 P HA 0.095 nan 4.420 nan 0.000 0.267 195 P C 0.813 177.980 177.300 -0.221 0.000 1.289 195 P CA 0.317 63.259 63.100 -0.262 0.000 0.866 195 P CB 0.288 31.844 31.700 -0.240 0.000 1.309 196 T N -3.769 110.640 114.554 -0.242 0.000 2.857 196 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 196 T C 1.770 176.504 174.700 0.057 0.000 1.048 196 T CA 1.539 63.442 62.100 -0.328 0.000 1.139 196 T CB -1.342 67.206 68.868 -0.533 0.000 0.874 196 T HN 0.186 nan 8.240 nan 0.000 0.455 197 G N 1.261 110.174 108.800 0.188 0.000 2.179 197 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.260 197 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.260 197 G C 0.057 175.081 174.900 0.207 0.000 0.977 197 G CA 0.202 45.424 45.100 0.203 0.000 0.641 197 G HN 0.683 nan 8.290 nan 0.000 0.533 198 I N 1.994 122.681 120.570 0.195 0.000 2.312 198 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 198 I C -0.636 175.601 176.117 0.200 0.000 1.008 198 I CA -0.752 60.649 61.300 0.170 0.000 1.226 198 I CB 1.080 39.158 38.000 0.131 0.000 1.371 198 I HN -0.039 nan 8.210 nan 0.000 0.468 199 D N 7.607 128.118 120.400 0.184 0.000 2.299 199 D HA 0.470 5.110 4.640 -0.000 0.000 0.243 199 D C -2.359 173.938 176.300 -0.005 0.000 0.982 199 D CA -1.430 52.689 54.000 0.198 0.000 0.924 199 D CB 1.320 42.306 40.800 0.310 0.000 1.238 199 D HN 0.165 nan 8.370 nan 0.000 0.484 200 P HA 0.161 nan 4.420 nan 0.000 0.274 200 P C -0.094 176.986 177.300 -0.367 0.000 1.237 200 P CA -0.282 62.526 63.100 -0.485 0.000 0.793 200 P CB 0.442 31.541 31.700 -1.003 0.000 0.977 201 T N -0.752 113.639 114.554 -0.272 0.000 2.816 201 T HA 0.138 4.487 4.350 -0.000 0.000 0.282 201 T C 1.107 175.819 174.700 0.021 0.000 0.993 201 T CA -0.658 61.395 62.100 -0.078 0.000 0.994 201 T CB 0.300 69.117 68.868 -0.085 0.000 1.025 201 T HN 0.166 nan 8.240 nan 0.000 0.529 202 L N 0.742 122.075 121.223 0.183 0.000 2.013 202 L HA -0.092 4.248 4.340 -0.000 0.000 0.212 202 L C 2.465 179.450 176.870 0.192 0.000 1.073 202 L CA 2.006 57.022 54.840 0.292 0.000 0.753 202 L CB -1.173 41.001 42.059 0.192 0.000 0.890 202 L HN 0.779 nan 8.230 nan 0.000 0.432 203 E N -0.232 120.004 120.200 0.060 0.000 2.065 203 E HA -0.286 4.064 4.350 -0.000 0.000 0.201 203 E C 2.241 178.821 176.600 -0.034 0.000 1.016 203 E CA 1.943 58.345 56.400 0.004 0.000 0.818 203 E CB -0.403 29.263 29.700 -0.058 0.000 0.749 203 E HN 0.645 nan 8.360 nan 0.000 0.453 204 Q N -1.274 118.413 119.800 -0.188 0.000 2.170 204 Q HA -0.154 4.186 4.340 -0.000 0.000 0.203 204 Q C 2.097 178.103 176.000 0.010 0.000 0.976 204 Q CA 1.227 56.817 55.803 -0.355 0.000 0.858 204 Q CB -0.301 28.023 28.738 -0.690 0.000 0.907 204 Q HN 0.452 nan 8.270 nan 0.000 0.433 205 W N 1.236 122.591 121.300 0.091 0.000 2.381 205 W HA -0.179 4.481 4.660 -0.000 0.000 0.301 205 W C 2.485 179.093 176.519 0.149 0.000 1.205 205 W CA 0.261 57.733 57.345 0.212 0.000 1.285 205 W CB 0.161 29.750 29.460 0.215 0.000 1.133 205 W HN 0.167 nan 8.180 nan 0.000 0.521 206 Q N -0.291 119.696 119.800 0.312 0.000 2.030 206 Q HA -0.173 4.167 4.340 -0.000 0.000 0.204 206 Q C 1.903 177.964 176.000 0.102 0.000 0.986 206 Q CA 2.231 58.121 55.803 0.146 0.000 0.843 206 Q CB -1.518 27.278 28.738 0.096 0.000 0.904 206 Q HN 0.261 nan 8.270 nan 0.000 0.420 207 T N 2.600 117.244 114.554 0.150 0.000 2.595 207 T HA -0.121 4.229 4.350 -0.000 0.000 0.264 207 T C 2.184 176.995 174.700 0.186 0.000 1.058 207 T CA 1.237 63.446 62.100 0.181 0.000 1.166 207 T CB -0.477 68.593 68.868 0.336 0.000 0.863 207 T HN 0.157 nan 8.240 nan 0.000 0.415 208 L N 0.764 122.170 121.223 0.306 0.000 2.081 208 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 208 L C 3.016 179.952 176.870 0.110 0.000 1.080 208 L CA 1.272 56.316 54.840 0.341 0.000 0.754 208 L CB -0.769 41.599 42.059 0.515 0.000 0.893 208 L HN 0.279 nan 8.230 nan 0.000 0.433 209 A N -0.149 122.529 122.820 -0.237 0.000 1.845 209 A HA -0.292 4.028 4.320 -0.000 0.000 0.215 209 A C 2.494 179.894 177.584 -0.307 0.000 1.195 209 A CA 2.428 53.994 52.037 -0.785 0.000 0.616 209 A CB -1.052 17.509 19.000 -0.733 0.000 0.832 209 A HN 0.427 nan 8.150 nan 0.000 0.443 210 Q N -0.768 118.924 119.800 -0.180 0.000 2.084 210 Q HA -0.067 4.273 4.340 -0.000 0.000 0.202 210 Q C 2.186 178.091 176.000 -0.157 0.000 0.978 210 Q CA 1.911 57.622 55.803 -0.153 0.000 0.844 210 Q CB -1.125 27.560 28.738 -0.089 0.000 0.898 210 Q HN 0.857 nan 8.270 nan 0.000 0.426 211 L N 0.372 121.533 121.223 -0.104 0.000 2.083 211 L HA -0.052 4.288 4.340 -0.000 0.000 0.209 211 L C 2.534 179.187 176.870 -0.363 0.000 1.083 211 L CA 2.570 57.309 54.840 -0.168 0.000 0.752 211 L CB -0.909 41.131 42.059 -0.033 0.000 0.899 211 L HN 0.428 nan 8.230 nan 0.000 0.433 212 S N -0.753 114.864 115.700 -0.139 0.000 2.343 212 S HA -0.172 4.298 4.470 -0.000 0.000 0.219 212 S C 2.106 176.619 174.600 -0.145 0.000 1.033 212 S CA 2.163 60.376 58.200 0.021 0.000 1.014 212 S CB -0.742 62.788 63.200 0.550 0.000 0.915 212 S HN 0.499 nan 8.310 nan 0.000 0.435 213 V N 0.565 120.341 119.914 -0.231 0.000 2.332 213 V HA -0.013 4.107 4.120 -0.000 0.000 0.248 213 V C 2.618 178.552 176.094 -0.268 0.000 1.055 213 V CA 2.457 64.553 62.300 -0.340 0.000 1.038 213 V CB -2.082 29.472 31.823 -0.448 0.000 0.651 213 V HN 0.650 nan 8.190 nan 0.000 0.450 214 E N 1.444 121.470 120.200 -0.289 0.000 2.017 214 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 214 E C 2.388 178.786 176.600 -0.337 0.000 0.997 214 E CA 2.539 58.779 56.400 -0.266 0.000 0.804 214 E CB -1.216 28.342 29.700 -0.237 0.000 0.757 214 E HN 0.870 nan 8.360 nan 0.000 0.448 215 K N -0.437 119.624 120.400 -0.566 0.000 2.442 215 K HA 0.287 4.607 4.320 -0.000 0.000 0.198 215 K C 1.956 178.206 176.600 -0.584 0.000 1.042 215 K CA 1.371 57.233 56.287 -0.707 0.000 0.958 215 K CB -1.130 30.567 32.500 -1.340 0.000 0.766 215 K HN 1.756 nan 8.250 nan 0.000 0.474 216 G N -0.051 108.493 108.800 -0.427 0.000 2.289 216 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.280 216 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.280 216 G C -0.169 174.768 174.900 0.062 0.000 1.089 216 G CA 0.008 45.024 45.100 -0.139 0.000 0.939 216 G HN 0.459 nan 8.290 nan 0.000 0.499 217 W N -0.817 120.573 121.300 0.150 0.000 2.497 217 W HA 0.709 5.369 4.660 -0.000 0.000 0.359 217 W C 0.376 177.031 176.519 0.226 0.000 1.131 217 W CA -1.650 55.794 57.345 0.165 0.000 1.280 217 W CB 0.988 30.547 29.460 0.165 0.000 1.319 217 W HN 0.116 nan 8.180 nan 0.000 0.626 218 L N 4.279 125.761 121.223 0.433 0.000 2.262 218 L HA 0.331 4.671 4.340 -0.000 0.000 0.288 218 L C -2.221 174.824 176.870 0.291 0.000 1.035 218 L CA -1.738 53.292 54.840 0.316 0.000 0.820 218 L CB 1.449 43.650 42.059 0.236 0.000 1.204 218 L HN -0.106 nan 8.230 nan 0.000 0.424 219 P HA 0.194 nan 4.420 nan 0.000 0.287 219 P C -1.141 176.311 177.300 0.253 0.000 1.281 219 P CA -0.400 62.885 63.100 0.310 0.000 0.781 219 P CB 1.132 33.037 31.700 0.342 0.000 0.903 220 L N 5.520 126.832 121.223 0.149 0.000 2.316 220 L HA 0.545 4.884 4.340 -0.000 0.000 0.280 220 L C -1.544 175.370 176.870 0.074 0.000 1.006 220 L CA -0.595 54.335 54.840 0.151 0.000 0.836 220 L CB -0.024 42.086 42.059 0.086 0.000 1.221 220 L HN 0.113 nan 8.230 nan 0.000 0.418 221 F N 3.190 123.166 119.950 0.043 0.000 2.404 221 F HA 0.376 4.903 4.527 -0.000 0.000 0.339 221 F C 0.546 176.363 175.800 0.028 0.000 1.105 221 F CA -0.318 57.683 58.000 0.001 0.000 1.087 221 F CB 1.218 40.101 39.000 -0.195 0.000 1.143 221 F HN 0.444 nan 8.300 nan 0.000 0.491 222 D N 3.644 124.151 120.400 0.179 0.000 2.412 222 D HA 0.131 4.771 4.640 -0.000 0.000 0.224 222 D C -1.374 175.076 176.300 0.249 0.000 1.093 222 D CA -0.181 53.897 54.000 0.130 0.000 0.850 222 D CB 0.394 41.190 40.800 -0.007 0.000 1.046 222 D HN 0.199 nan 8.370 nan 0.000 0.507 223 F N 3.357 123.311 119.950 0.007 0.000 2.366 223 F HA 0.451 4.978 4.527 -0.000 0.000 0.357 223 F C 0.562 176.270 175.800 -0.154 0.000 1.107 223 F CA -1.238 56.749 58.000 -0.022 0.000 1.208 223 F CB 0.803 39.772 39.000 -0.052 0.000 1.464 223 F HN 0.474 nan 8.300 nan 0.000 0.501 224 A N 2.769 125.481 122.820 -0.180 0.000 2.348 224 A HA 0.160 4.480 4.320 -0.000 0.000 0.224 224 A C -0.045 177.019 177.584 -0.868 0.000 1.227 224 A CA 0.316 51.999 52.037 -0.589 0.000 0.885 224 A CB -0.286 18.240 19.000 -0.790 0.000 0.933 224 A HN 0.506 nan 8.150 nan 0.000 0.506 225 Y N -0.128 120.075 120.300 -0.162 0.000 2.715 225 Y HA 0.299 4.849 4.550 -0.000 0.000 0.255 225 Y C 0.615 176.511 175.900 -0.007 0.000 1.139 225 Y CA -0.840 57.230 58.100 -0.050 0.000 1.151 225 Y CB -0.087 38.358 38.460 -0.024 0.000 1.201 225 Y HN 0.325 nan 8.280 nan 0.000 0.556 226 Q N 1.017 120.613 119.800 -0.340 0.000 2.247 226 Q HA 0.286 4.626 4.340 -0.000 0.000 0.288 226 Q C 1.113 177.049 176.000 -0.107 0.000 1.079 226 Q CA 1.547 57.081 55.803 -0.449 0.000 0.932 226 Q CB 0.194 28.448 28.738 -0.807 0.000 1.133 226 Q HN 0.832 nan 8.270 nan 0.000 0.377 227 G N 3.332 112.084 108.800 -0.080 0.000 2.195 227 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.224 227 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.224 227 G C 0.144 174.850 174.900 -0.323 0.000 0.990 227 G CA 0.009 44.977 45.100 -0.219 0.000 0.639 227 G HN 0.662 nan 8.290 nan 0.000 0.514 228 F N 1.128 121.055 119.950 -0.039 0.000 2.749 228 F HA 0.580 5.107 4.527 -0.000 0.000 0.300 228 F C 2.372 178.172 175.800 -0.000 0.000 1.103 228 F CA 1.181 59.168 58.000 -0.021 0.000 1.342 228 F CB 0.415 39.431 39.000 0.027 0.000 1.098 228 F HN 0.344 nan 8.300 nan 0.000 0.586 229 A N 0.108 123.023 122.820 0.159 0.000 1.909 229 A HA 0.214 4.534 4.320 -0.000 0.000 0.210 229 A C 2.053 179.682 177.584 0.076 0.000 1.273 229 A CA 0.638 52.758 52.037 0.139 0.000 0.654 229 A CB 0.100 19.213 19.000 0.189 0.000 0.945 229 A HN 0.225 nan 8.150 nan 0.000 0.471 230 R N -2.535 117.995 120.500 0.050 0.000 2.622 230 R HA 0.387 4.726 4.340 -0.000 0.000 0.180 230 R C 0.600 176.877 176.300 -0.038 0.000 0.813 230 R CA 0.615 56.724 56.100 0.015 0.000 1.049 230 R CB 1.106 31.434 30.300 0.046 0.000 1.438 230 R HN 0.561 nan 8.270 nan 0.000 0.636 234 E N 1.402 121.606 120.200 0.007 0.000 2.051 234 E HA -0.179 4.171 4.350 -0.000 0.000 0.192 234 E C 1.741 178.367 176.600 0.044 0.000 0.991 234 E CA 1.711 58.127 56.400 0.026 0.000 0.799 234 E CB 0.153 29.861 29.700 0.014 0.000 0.748 234 E HN 0.479 nan 8.360 nan 0.000 0.449 235 E N 1.133 121.357 120.200 0.041 0.000 2.085 235 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 235 E C 1.622 178.289 176.600 0.111 0.000 0.994 235 E CA 1.393 57.832 56.400 0.065 0.000 0.801 235 E CB -0.175 29.557 29.700 0.053 0.000 0.743 235 E HN 0.200 nan 8.360 nan 0.000 0.453 236 D N -0.438 120.043 120.400 0.135 0.000 2.348 236 D HA -0.017 4.623 4.640 -0.000 0.000 0.216 236 D C 1.266 177.757 176.300 0.318 0.000 0.970 236 D CA 1.018 55.159 54.000 0.235 0.000 0.889 236 D CB -0.018 40.912 40.800 0.218 0.000 0.912 236 D HN 0.224 nan 8.370 nan 0.000 0.524 237 A N 0.292 123.241 122.820 0.214 0.000 2.238 237 A HA 0.016 4.336 4.320 -0.000 0.000 0.210 237 A C 1.843 179.353 177.584 -0.124 0.000 1.179 237 A CA 0.065 52.148 52.037 0.077 0.000 0.827 237 A CB -0.078 18.972 19.000 0.083 0.000 0.856 237 A HN 0.062 nan 8.150 nan 0.000 0.488 238 E N 0.124 120.296 120.200 -0.046 0.000 2.065 238 E HA -0.233 4.117 4.350 -0.000 0.000 0.201 238 E C 2.112 178.572 176.600 -0.234 0.000 1.016 238 E CA 1.321 57.681 56.400 -0.066 0.000 0.818 238 E CB -0.382 29.345 29.700 0.046 0.000 0.749 238 E HN 0.600 nan 8.360 nan 0.000 0.453 239 G N 1.375 109.851 108.800 -0.540 0.000 2.446 239 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.217 239 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.217 239 G C 1.544 175.911 174.900 -0.887 0.000 1.168 239 G CA 0.966 45.251 45.100 -1.358 0.000 0.771 239 G HN 0.175 nan 8.290 nan 0.000 0.551 240 L N 0.907 121.557 121.223 -0.956 0.000 2.012 240 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 240 L C 2.854 179.431 176.870 -0.487 0.000 1.073 240 L CA 1.791 55.956 54.840 -1.125 0.000 0.748 240 L CB -0.526 40.801 42.059 -1.220 0.000 0.891 240 L HN 0.087 nan 8.230 nan 0.000 0.431 241 R N 0.024 120.353 120.500 -0.284 0.000 2.105 241 R HA -0.100 4.240 4.340 -0.000 0.000 0.239 241 R C 2.172 178.465 176.300 -0.013 0.000 1.135 241 R CA 1.358 57.414 56.100 -0.073 0.000 0.967 241 R CB -1.231 29.044 30.300 -0.041 0.000 0.861 241 R HN 0.562 nan 8.270 nan 0.000 0.442 242 A N 0.485 123.299 122.820 -0.010 0.000 1.969 242 A HA -0.110 4.209 4.320 -0.000 0.000 0.218 242 A C 1.932 179.569 177.584 0.089 0.000 1.169 242 A CA 0.989 53.057 52.037 0.053 0.000 0.635 242 A CB -0.481 18.579 19.000 0.099 0.000 0.810 242 A HN 0.154 nan 8.150 nan 0.000 0.445 243 F N 0.044 119.961 119.950 -0.055 0.000 2.163 243 F HA 0.015 4.542 4.527 -0.000 0.000 0.297 243 F C 2.766 178.638 175.800 0.120 0.000 1.094 243 F CA 0.855 58.907 58.000 0.086 0.000 1.290 243 F CB -0.580 38.410 39.000 -0.016 0.000 1.017 243 F HN 0.242 nan 8.300 nan 0.000 0.483 244 A N -0.195 122.729 122.820 0.174 0.000 1.972 244 A HA -0.068 4.252 4.320 -0.000 0.000 0.219 244 A C 2.314 179.923 177.584 0.042 0.000 1.169 244 A CA 1.621 53.710 52.037 0.087 0.000 0.635 244 A CB -1.209 17.820 19.000 0.048 0.000 0.810 244 A HN 0.293 nan 8.150 nan 0.000 0.446 245 A N -1.390 121.453 122.820 0.038 0.000 2.119 245 A HA 0.153 4.473 4.320 -0.000 0.000 0.217 245 A C 2.056 179.633 177.584 -0.011 0.000 1.153 245 A CA 1.486 53.524 52.037 0.001 0.000 0.692 245 A CB -0.320 18.679 19.000 -0.002 0.000 0.799 245 A HN 0.535 nan 8.150 nan 0.000 0.458 246 M N -1.861 117.742 119.600 0.004 0.000 2.653 246 M HA 0.181 4.661 4.480 -0.000 0.000 0.259 246 M C 0.212 176.435 176.300 -0.128 0.000 1.244 246 M CA 0.148 55.397 55.300 -0.084 0.000 1.163 246 M CB 0.184 32.683 32.600 -0.167 0.000 1.309 246 M HN 0.297 nan 8.290 nan 0.000 0.509 247 H N 0.365 119.437 119.070 0.003 0.000 2.547 247 H HA 0.215 4.771 4.556 -0.000 0.000 0.362 247 H C 0.882 176.227 175.328 0.029 0.000 1.181 247 H CA 0.535 56.609 56.048 0.044 0.000 1.376 247 H CB 1.253 31.096 29.762 0.134 0.000 1.488 247 H HN 0.099 nan 8.280 nan 0.000 0.583 248 K N 2.399 122.891 120.400 0.153 0.000 2.244 248 K HA 0.088 4.408 4.320 -0.000 0.000 0.200 248 K C 0.616 177.289 176.600 0.123 0.000 1.052 248 K CA 0.774 57.117 56.287 0.094 0.000 0.980 248 K CB 0.338 32.877 32.500 0.065 0.000 0.838 248 K HN 0.735 nan 8.250 nan 0.000 0.481 249 E N -0.470 119.844 120.200 0.192 0.000 2.293 249 E HA 0.661 5.011 4.350 -0.000 0.000 0.270 249 E C -1.251 175.478 176.600 0.216 0.000 0.879 249 E CA -1.209 55.301 56.400 0.184 0.000 0.756 249 E CB 2.076 31.887 29.700 0.185 0.000 1.208 249 E HN 0.327 nan 8.360 nan 0.000 0.428 250 L N -1.250 120.085 121.223 0.188 0.000 2.866 250 L HA 0.602 4.941 4.340 -0.000 0.000 0.262 250 L C -1.941 175.049 176.870 0.201 0.000 0.986 250 L CA -0.673 54.286 54.840 0.198 0.000 0.925 250 L CB 1.070 43.237 42.059 0.180 0.000 1.484 250 L HN 0.601 nan 8.230 nan 0.000 0.414 251 I N 1.806 122.512 120.570 0.226 0.000 2.498 251 I HA 0.723 4.893 4.170 -0.000 0.000 0.290 251 I C -1.070 175.181 176.117 0.222 0.000 1.032 251 I CA -1.202 60.225 61.300 0.211 0.000 1.073 251 I CB 2.189 40.323 38.000 0.224 0.000 1.251 251 I HN 0.581 nan 8.210 nan 0.000 0.426 252 V N 5.974 125.994 119.914 0.177 0.000 2.443 252 V HA 0.780 4.900 4.120 -0.000 0.000 0.293 252 V C -0.387 175.785 176.094 0.131 0.000 1.021 252 V CA -0.182 62.204 62.300 0.143 0.000 0.848 252 V CB 1.547 33.381 31.823 0.020 0.000 0.998 252 V HN 0.812 nan 8.190 nan 0.000 0.424 253 A N 5.658 128.568 122.820 0.149 0.000 2.273 253 A HA 0.831 5.151 4.320 -0.000 0.000 0.320 253 A C 0.233 177.874 177.584 0.095 0.000 1.358 253 A CA 0.035 52.149 52.037 0.127 0.000 0.910 253 A CB 0.602 19.690 19.000 0.148 0.000 1.159 253 A HN 1.339 nan 8.150 nan 0.000 0.526 254 S N 1.479 117.206 115.700 0.045 0.000 2.739 254 S HA 0.879 5.349 4.470 -0.000 0.000 0.306 254 S C -0.008 174.503 174.600 -0.149 0.000 1.115 254 S CA -0.485 57.689 58.200 -0.044 0.000 0.985 254 S CB 1.730 64.868 63.200 -0.104 0.000 1.133 254 S HN 1.141 nan 8.310 nan 0.000 0.541 255 S N -0.901 114.615 115.700 -0.306 0.000 2.564 255 S HA 0.622 5.092 4.470 -0.000 0.000 0.274 255 S C -1.593 172.757 174.600 -0.418 0.000 1.124 255 S CA -0.565 57.464 58.200 -0.284 0.000 0.869 255 S CB 0.963 64.006 63.200 -0.262 0.000 1.105 255 S HN 0.693 nan 8.310 nan 0.000 0.472 256 Y N 1.590 121.866 120.300 -0.040 0.000 2.557 256 Y HA 0.317 4.867 4.550 -0.000 0.000 0.247 256 Y C 2.198 178.078 175.900 -0.033 0.000 1.164 256 Y CA -0.094 58.023 58.100 0.028 0.000 1.218 256 Y CB 0.251 38.707 38.460 -0.006 0.000 1.210 256 Y HN 0.589 nan 8.280 nan 0.000 0.529 257 S N 0.271 115.947 115.700 -0.041 0.000 2.359 257 S HA -0.190 4.280 4.470 -0.000 0.000 0.223 257 S C 1.987 176.298 174.600 -0.482 0.000 1.039 257 S CA 1.615 59.680 58.200 -0.226 0.000 1.042 257 S CB 0.011 63.128 63.200 -0.138 0.000 0.915 257 S HN 0.308 nan 8.310 nan 0.000 0.439 258 K N 1.967 122.201 120.400 -0.278 0.000 2.021 258 K HA 0.048 4.368 4.320 -0.000 0.000 0.205 258 K C 1.599 178.284 176.600 0.143 0.000 1.047 258 K CA 1.293 57.470 56.287 -0.184 0.000 0.943 258 K CB -1.223 31.085 32.500 -0.320 0.000 0.725 258 K HN 0.716 nan 8.250 nan 0.000 0.439 259 N N -0.412 118.484 118.700 0.326 0.000 2.550 259 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 259 N C 0.747 176.391 175.510 0.224 0.000 1.110 259 N CA 0.475 53.753 53.050 0.380 0.000 0.912 259 N CB -0.046 38.643 38.487 0.336 0.000 0.968 259 N HN 0.022 nan 8.380 nan 0.000 0.448 260 F N -0.080 119.983 119.950 0.188 0.000 2.746 260 F HA 0.364 4.891 4.527 -0.000 0.000 0.320 260 F C 1.347 177.139 175.800 -0.014 0.000 1.097 260 F CA -0.195 57.866 58.000 0.101 0.000 1.195 260 F CB 0.903 39.864 39.000 -0.065 0.000 1.056 260 F HN 0.073 nan 8.300 nan 0.000 0.562 261 G N 1.736 110.531 108.800 -0.007 0.000 2.356 261 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.296 261 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.296 261 G C 0.371 175.179 174.900 -0.154 0.000 1.022 261 G CA 0.430 45.431 45.100 -0.165 0.000 0.961 261 G HN 0.430 nan 8.290 nan 0.000 0.510 262 L N -0.625 120.452 121.223 -0.244 0.000 3.141 262 L HA 0.284 4.624 4.340 -0.000 0.000 0.267 262 L C 2.059 178.898 176.870 -0.052 0.000 1.281 262 L CA -0.864 53.938 54.840 -0.064 0.000 1.037 262 L CB -0.239 41.811 42.059 -0.016 0.000 1.407 262 L HN 0.326 nan 8.230 nan 0.000 0.566 263 Y N 0.850 121.199 120.300 0.082 0.000 2.003 263 Y HA -0.413 4.136 4.550 -0.000 0.000 0.261 263 Y C 2.450 178.372 175.900 0.036 0.000 1.211 263 Y CA 2.093 60.223 58.100 0.050 0.000 1.098 263 Y CB -0.838 37.652 38.460 0.050 0.000 0.925 263 Y HN 0.558 nan 8.280 nan 0.000 0.498 264 N N -0.188 118.650 118.700 0.231 0.000 2.521 264 N HA -0.103 4.637 4.740 -0.000 0.000 0.188 264 N C 0.766 176.320 175.510 0.073 0.000 1.146 264 N CA 0.989 54.114 53.050 0.124 0.000 0.893 264 N CB -0.373 38.176 38.487 0.104 0.000 0.975 264 N HN 0.413 nan 8.380 nan 0.000 0.451 265 E N 0.512 120.753 120.200 0.070 0.000 2.474 265 E HA 0.057 4.407 4.350 -0.000 0.000 0.194 265 E C -0.241 176.360 176.600 0.001 0.000 1.041 265 E CA -0.045 56.382 56.400 0.045 0.000 0.874 265 E CB 0.096 29.838 29.700 0.071 0.000 0.914 265 E HN 0.160 nan 8.360 nan 0.000 0.498 266 R N -0.112 120.391 120.500 0.004 0.000 2.873 266 R HA -0.118 4.222 4.340 -0.000 0.000 0.281 266 R C -0.859 175.412 176.300 -0.049 0.000 0.933 266 R CA 0.204 56.289 56.100 -0.024 0.000 0.712 266 R CB -2.969 27.299 30.300 -0.054 0.000 1.780 266 R HN -0.087 nan 8.270 nan 0.000 0.488 267 V N 0.953 120.860 119.914 -0.011 0.000 2.350 267 V HA 0.846 4.966 4.120 -0.000 0.000 0.285 267 V C 1.083 177.280 176.094 0.172 0.000 1.014 267 V CA 0.037 62.350 62.300 0.021 0.000 0.831 267 V CB 2.034 33.863 31.823 0.009 0.000 1.000 267 V HN 0.728 nan 8.190 nan 0.000 0.433 268 G N 2.878 111.781 108.800 0.171 0.000 2.788 268 G HA2 0.937 4.897 3.960 -0.000 0.000 0.293 268 G HA3 0.937 4.897 3.960 -0.000 0.000 0.293 268 G C -1.378 173.720 174.900 0.329 0.000 1.392 268 G CA -0.243 44.983 45.100 0.210 0.000 0.810 268 G HN 1.126 nan 8.290 nan 0.000 0.508 269 A N -1.656 121.312 122.820 0.248 0.000 2.574 269 A HA 0.616 4.936 4.320 -0.000 0.000 0.297 269 A C -1.270 176.423 177.584 0.183 0.000 1.062 269 A CA -0.367 51.848 52.037 0.297 0.000 0.686 269 A CB 1.388 20.604 19.000 0.359 0.000 1.285 269 A HN 1.713 nan 8.150 nan 0.000 0.403 270 C N 1.862 121.282 119.300 0.199 0.000 2.301 270 C HA 0.810 5.270 4.460 -0.000 0.000 0.323 270 C C -0.026 175.064 174.990 0.166 0.000 1.265 270 C CA 0.078 59.197 59.018 0.169 0.000 1.503 270 C CB -0.194 27.649 27.740 0.171 0.000 2.195 270 C HN 0.817 nan 8.230 nan 0.000 0.477 271 T N 6.934 121.567 114.554 0.132 0.000 2.779 271 T HA 0.421 4.771 4.350 -0.000 0.000 0.280 271 T C -0.520 174.247 174.700 0.112 0.000 0.987 271 T CA -0.207 61.962 62.100 0.115 0.000 0.966 271 T CB 1.047 69.993 68.868 0.130 0.000 0.933 271 T HN 0.633 nan 8.240 nan 0.000 0.442 272 L N 4.095 125.351 121.223 0.056 0.000 2.295 272 L HA 0.673 5.013 4.340 -0.000 0.000 0.285 272 L C -0.876 176.014 176.870 0.033 0.000 1.035 272 L CA -0.740 54.127 54.840 0.046 0.000 0.806 272 L CB 1.221 43.285 42.059 0.009 0.000 1.214 272 L HN 0.379 nan 8.230 nan 0.000 0.426 273 V N 3.828 123.783 119.914 0.069 0.000 2.540 273 V HA 0.800 4.920 4.120 -0.000 0.000 0.302 273 V C -0.035 176.095 176.094 0.061 0.000 1.035 273 V CA -0.447 61.870 62.300 0.028 0.000 0.873 273 V CB 1.511 33.344 31.823 0.016 0.000 0.992 273 V HN 0.899 nan 8.190 nan 0.000 0.428 274 A N 3.081 125.921 122.820 0.032 0.000 2.483 274 A HA 0.923 5.243 4.320 -0.000 0.000 0.286 274 A C 1.068 178.672 177.584 0.032 0.000 1.207 274 A CA 0.070 52.142 52.037 0.059 0.000 0.764 274 A CB 1.263 20.306 19.000 0.072 0.000 1.341 274 A HN 1.172 nan 8.150 nan 0.000 0.428 275 A N -0.414 122.431 122.820 0.042 0.000 1.908 275 A HA 0.195 4.515 4.320 -0.000 0.000 0.218 275 A C 0.612 178.199 177.584 0.005 0.000 1.181 275 A CA 2.477 54.529 52.037 0.024 0.000 0.627 275 A CB -0.793 18.225 19.000 0.030 0.000 0.818 275 A HN 1.066 nan 8.150 nan 0.000 0.445 276 D N -4.803 115.602 120.400 0.009 0.000 2.664 276 D HA 0.396 5.036 4.640 -0.000 0.000 0.292 276 D C 0.495 176.795 176.300 -0.001 0.000 1.214 276 D CA 0.083 54.081 54.000 -0.002 0.000 0.932 276 D CB 0.627 41.429 40.800 0.003 0.000 1.420 276 D HN -0.150 nan 8.370 nan 0.000 0.471 277 S N -1.067 114.628 115.700 -0.008 0.000 2.399 277 S HA -0.213 4.257 4.470 -0.000 0.000 0.231 277 S C 1.456 176.062 174.600 0.011 0.000 1.022 277 S CA 1.607 59.802 58.200 -0.008 0.000 0.983 277 S CB -0.448 62.745 63.200 -0.012 0.000 0.803 277 S HN 0.500 nan 8.310 nan 0.000 0.480 278 E N 0.573 120.784 120.200 0.018 0.000 2.046 278 E HA -0.098 4.252 4.350 -0.000 0.000 0.190 278 E C 1.946 178.573 176.600 0.045 0.000 0.982 278 E CA 1.732 58.150 56.400 0.030 0.000 0.800 278 E CB -0.781 28.934 29.700 0.026 0.000 0.756 278 E HN 0.553 nan 8.360 nan 0.000 0.449 279 T N 1.273 115.855 114.554 0.047 0.000 2.708 279 T HA -0.130 4.220 4.350 -0.000 0.000 0.266 279 T C 1.966 176.719 174.700 0.088 0.000 1.037 279 T CA 1.442 63.582 62.100 0.067 0.000 1.146 279 T CB -0.551 68.356 68.868 0.064 0.000 0.865 279 T HN 0.059 nan 8.240 nan 0.000 0.435 280 V N 1.840 121.794 119.914 0.067 0.000 2.343 280 V HA -0.210 3.910 4.120 -0.000 0.000 0.247 280 V C 1.961 178.117 176.094 0.104 0.000 1.051 280 V CA 2.167 64.510 62.300 0.071 0.000 1.036 280 V CB -0.619 31.207 31.823 0.006 0.000 0.654 280 V HN 0.413 nan 8.190 nan 0.000 0.451 281 D N -0.653 119.797 120.400 0.084 0.000 2.144 281 D HA -0.158 4.482 4.640 -0.000 0.000 0.199 281 D C 2.345 178.739 176.300 0.157 0.000 0.984 281 D CA 1.275 55.349 54.000 0.123 0.000 0.834 281 D CB -0.252 40.595 40.800 0.078 0.000 0.955 281 D HN 0.348 nan 8.370 nan 0.000 0.465 282 R N 0.126 120.701 120.500 0.125 0.000 2.075 282 R HA -0.003 4.337 4.340 -0.000 0.000 0.232 282 R C 2.018 178.416 176.300 0.163 0.000 1.126 282 R CA 1.193 57.366 56.100 0.121 0.000 0.963 282 R CB -0.072 30.286 30.300 0.096 0.000 0.858 282 R HN 0.159 nan 8.270 nan 0.000 0.435 283 A N 0.107 123.049 122.820 0.203 0.000 1.897 283 A HA -0.156 4.164 4.320 -0.000 0.000 0.215 283 A C 1.871 179.613 177.584 0.263 0.000 1.181 283 A CA 0.846 53.064 52.037 0.301 0.000 0.620 283 A CB -0.647 18.556 19.000 0.339 0.000 0.821 283 A HN 0.432 nan 8.150 nan 0.000 0.443 284 F N 2.099 122.058 119.950 0.015 0.000 2.269 284 F HA -0.180 4.347 4.527 -0.000 0.000 0.301 284 F C 2.703 178.499 175.800 -0.007 0.000 1.082 284 F CA 1.434 59.399 58.000 -0.058 0.000 1.360 284 F CB -0.282 38.696 39.000 -0.038 0.000 1.041 284 F HN 0.343 nan 8.300 nan 0.000 0.512 285 S N -0.814 114.920 115.700 0.057 0.000 2.399 285 S HA -0.205 4.265 4.470 -0.000 0.000 0.231 285 S C 1.864 176.438 174.600 -0.042 0.000 1.022 285 S CA 0.966 59.150 58.200 -0.026 0.000 0.983 285 S CB -0.512 62.713 63.200 0.042 0.000 0.803 285 S HN 0.445 nan 8.310 nan 0.000 0.480 286 Q N 0.494 120.335 119.800 0.068 0.000 2.187 286 Q HA 0.158 4.498 4.340 -0.000 0.000 0.199 286 Q C 2.091 178.170 176.000 0.131 0.000 0.957 286 Q CA 1.085 56.971 55.803 0.138 0.000 0.857 286 Q CB -0.411 28.495 28.738 0.280 0.000 0.929 286 Q HN 0.744 nan 8.270 nan 0.000 0.453 287 M N 0.591 120.184 119.600 -0.011 0.000 2.175 287 M HA -0.146 4.334 4.480 -0.000 0.000 0.264 287 M C 1.637 177.778 176.300 -0.265 0.000 1.063 287 M CA 1.442 56.635 55.300 -0.180 0.000 1.119 287 M CB 0.131 32.419 32.600 -0.521 0.000 1.377 287 M HN -0.048 nan 8.290 nan 0.000 0.415 288 K N 0.196 120.350 120.400 -0.411 0.000 2.148 288 K HA -0.071 4.249 4.320 -0.000 0.000 0.204 288 K C 1.996 178.471 176.600 -0.208 0.000 1.050 288 K CA 1.275 57.346 56.287 -0.361 0.000 0.942 288 K CB -0.278 31.994 32.500 -0.381 0.000 0.724 288 K HN 0.445 nan 8.250 nan 0.000 0.446 289 A N 1.786 124.526 122.820 -0.133 0.000 1.898 289 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 289 A C 2.427 179.964 177.584 -0.078 0.000 1.181 289 A CA 1.717 53.704 52.037 -0.084 0.000 0.620 289 A CB -0.577 18.403 19.000 -0.033 0.000 0.819 289 A HN 0.305 nan 8.150 nan 0.000 0.442 290 A N -0.059 122.736 122.820 -0.042 0.000 1.933 290 A HA -0.090 4.230 4.320 -0.000 0.000 0.218 290 A C 2.122 179.643 177.584 -0.106 0.000 1.175 290 A CA 1.565 53.590 52.037 -0.020 0.000 0.628 290 A CB -0.585 18.459 19.000 0.073 0.000 0.814 290 A HN 0.509 nan 8.150 nan 0.000 0.444 291 I N -1.186 119.271 120.570 -0.189 0.000 2.202 291 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 291 I C 2.638 178.479 176.117 -0.461 0.000 1.091 291 I CA 1.597 62.658 61.300 -0.398 0.000 1.368 291 I CB -0.268 37.502 38.000 -0.383 0.000 1.058 291 I HN 0.291 nan 8.210 nan 0.000 0.410 292 R N 2.028 122.351 120.500 -0.295 0.000 2.105 292 R HA -0.129 4.211 4.340 -0.000 0.000 0.239 292 R C 1.830 178.019 176.300 -0.186 0.000 1.135 292 R CA 1.926 57.886 56.100 -0.234 0.000 0.967 292 R CB -0.611 29.591 30.300 -0.164 0.000 0.861 292 R HN 0.356 nan 8.270 nan 0.000 0.442 293 A N -0.344 122.388 122.820 -0.147 0.000 2.278 293 A HA 0.101 4.421 4.320 -0.000 0.000 0.212 293 A C 1.473 179.010 177.584 -0.079 0.000 1.213 293 A CA 0.497 52.479 52.037 -0.091 0.000 0.840 293 A CB -0.425 18.541 19.000 -0.056 0.000 0.866 293 A HN 0.438 nan 8.150 nan 0.000 0.489 294 N N -0.652 117.964 118.700 -0.140 0.000 2.804 294 N HA 0.035 4.774 4.740 -0.000 0.000 0.233 294 N C 0.845 176.360 175.510 0.008 0.000 1.020 294 N CA 1.561 54.580 53.050 -0.053 0.000 1.164 294 N CB 0.097 38.570 38.487 -0.023 0.000 1.571 294 N HN 0.459 nan 8.380 nan 0.000 0.551 295 Y N -1.339 118.956 120.300 -0.008 0.000 2.675 295 Y HA 0.581 5.131 4.550 -0.000 0.000 0.248 295 Y C 1.159 177.049 175.900 -0.016 0.000 1.161 295 Y CA 0.280 58.377 58.100 -0.006 0.000 1.203 295 Y CB 0.002 38.462 38.460 0.001 0.000 1.262 295 Y HN 0.088 nan 8.280 nan 0.000 0.544 296 S N 1.179 116.710 115.700 -0.282 0.000 1.577 296 S HA -0.337 4.133 4.470 -0.000 0.000 0.240 296 S C -0.087 174.396 174.600 -0.196 0.000 0.755 296 S CA 2.175 60.246 58.200 -0.213 0.000 1.398 296 S CB -1.799 61.331 63.200 -0.116 0.000 1.552 296 S HN 1.027 nan 8.310 nan 0.000 0.510 297 N N 1.065 119.772 118.700 0.012 0.000 2.598 297 N HA 0.658 5.398 4.740 -0.000 0.000 0.263 297 N C -3.232 172.485 175.510 0.345 0.000 1.254 297 N CA -1.225 51.899 53.050 0.124 0.000 0.863 297 N CB 1.538 40.063 38.487 0.063 0.000 1.586 297 N HN 0.283 nan 8.380 nan 0.000 0.491 298 P HA 0.247 nan 4.420 nan 0.000 0.274 298 P C -2.539 174.773 177.300 0.020 0.000 1.231 298 P CA -0.879 62.293 63.100 0.121 0.000 0.790 298 P CB 0.087 31.815 31.700 0.047 0.000 0.951 299 P HA 0.097 nan 4.420 nan 0.000 0.276 299 P C 0.474 177.733 177.300 -0.068 0.000 1.243 299 P CA -0.057 63.019 63.100 -0.040 0.000 0.768 299 P CB 0.809 32.474 31.700 -0.058 0.000 0.856 300 A N 3.465 126.263 122.820 -0.036 0.000 1.897 300 A HA -0.211 4.109 4.320 -0.000 0.000 0.215 300 A C 2.151 179.699 177.584 -0.060 0.000 1.181 300 A CA 1.624 53.626 52.037 -0.059 0.000 0.620 300 A CB -1.639 17.346 19.000 -0.024 0.000 0.821 300 A HN 0.662 nan 8.150 nan 0.000 0.443 301 H N -0.212 118.803 119.070 -0.091 0.000 2.252 301 H HA -0.147 4.409 4.556 -0.000 0.000 0.292 301 H C 2.244 177.505 175.328 -0.113 0.000 1.082 301 H CA 2.595 58.593 56.048 -0.083 0.000 1.229 301 H CB -0.663 29.063 29.762 -0.059 0.000 1.353 301 H HN 0.354 nan 8.280 nan 0.000 0.488 302 G N -0.367 108.392 108.800 -0.068 0.000 2.459 302 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.217 302 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.217 302 G C 1.918 176.645 174.900 -0.289 0.000 1.183 302 G CA 1.370 46.373 45.100 -0.162 0.000 0.776 302 G HN 0.654 nan 8.290 nan 0.000 0.552 303 A N 0.465 123.094 122.820 -0.318 0.000 1.933 303 A HA 0.026 4.346 4.320 -0.000 0.000 0.218 303 A C 2.707 180.110 177.584 -0.301 0.000 1.175 303 A CA 2.265 54.033 52.037 -0.449 0.000 0.628 303 A CB -0.556 18.021 19.000 -0.705 0.000 0.814 303 A HN 0.324 nan 8.150 nan 0.000 0.444 304 S N -0.510 115.034 115.700 -0.261 0.000 2.368 304 S HA -0.119 4.351 4.470 -0.000 0.000 0.225 304 S C 1.909 176.363 174.600 -0.244 0.000 1.030 304 S CA 1.312 59.392 58.200 -0.200 0.000 0.999 304 S CB -0.454 62.649 63.200 -0.161 0.000 0.844 304 S HN 0.350 nan 8.310 nan 0.000 0.459 305 V N 1.603 121.315 119.914 -0.337 0.000 2.255 305 V HA -0.183 3.937 4.120 -0.000 0.000 0.247 305 V C 2.338 178.183 176.094 -0.415 0.000 1.051 305 V CA 1.686 63.783 62.300 -0.339 0.000 1.018 305 V CB -0.784 30.826 31.823 -0.355 0.000 0.641 305 V HN 0.339 nan 8.190 nan 0.000 0.445 306 V N 0.157 119.710 119.914 -0.602 0.000 2.287 306 V HA -0.289 3.831 4.120 -0.000 0.000 0.248 306 V C 2.701 178.451 176.094 -0.572 0.000 1.053 306 V CA 2.118 63.846 62.300 -0.953 0.000 1.027 306 V CB -1.234 29.855 31.823 -1.223 0.000 0.646 306 V HN 0.578 nan 8.190 nan 0.000 0.447 307 A N -0.387 122.245 122.820 -0.314 0.000 1.883 307 A HA -0.299 4.021 4.320 -0.000 0.000 0.217 307 A C 2.510 179.980 177.584 -0.191 0.000 1.186 307 A CA 2.764 54.688 52.037 -0.189 0.000 0.624 307 A CB -1.100 17.863 19.000 -0.062 0.000 0.822 307 A HN 0.509 nan 8.150 nan 0.000 0.444 308 T N -1.130 113.309 114.554 -0.193 0.000 2.915 308 T HA -0.035 4.315 4.350 -0.000 0.000 0.269 308 T C 1.721 176.305 174.700 -0.194 0.000 1.071 308 T CA 1.460 63.446 62.100 -0.191 0.000 1.132 308 T CB -0.481 68.273 68.868 -0.190 0.000 0.878 308 T HN 0.385 nan 8.240 nan 0.000 0.479 309 I N 0.100 120.549 120.570 -0.202 0.000 2.277 309 I HA 0.003 4.173 4.170 -0.000 0.000 0.243 309 I C 2.118 178.172 176.117 -0.106 0.000 1.094 309 I CA 0.576 61.797 61.300 -0.131 0.000 1.393 309 I CB -0.215 37.730 38.000 -0.091 0.000 1.078 309 I HN 0.226 nan 8.210 nan 0.000 0.417 310 L N 0.218 121.335 121.223 -0.178 0.000 2.362 310 L HA -0.089 4.250 4.340 -0.000 0.000 0.219 310 L C 2.318 179.139 176.870 -0.082 0.000 1.134 310 L CA 1.581 56.346 54.840 -0.125 0.000 0.807 310 L CB -0.649 41.284 42.059 -0.210 0.000 0.927 310 L HN 0.083 nan 8.230 nan 0.000 0.447 311 S N -1.636 114.002 115.700 -0.102 0.000 2.503 311 S HA 0.052 4.522 4.470 -0.000 0.000 0.217 311 S C 0.861 175.417 174.600 -0.073 0.000 0.999 311 S CA -0.096 58.056 58.200 -0.081 0.000 0.914 311 S CB -0.211 62.934 63.200 -0.091 0.000 0.782 311 S HN 0.459 nan 8.310 nan 0.000 0.520 312 N N 1.612 120.263 118.700 -0.081 0.000 2.501 312 N HA 0.164 4.904 4.740 -0.000 0.000 0.245 312 N C 0.180 175.671 175.510 -0.031 0.000 0.974 312 N CA -0.179 52.826 53.050 -0.075 0.000 0.941 312 N CB 0.706 39.121 38.487 -0.120 0.000 1.122 312 N HN -0.153 nan 8.380 nan 0.000 0.507 313 D N 2.590 122.978 120.400 -0.019 0.000 2.149 313 D HA -0.252 4.388 4.640 -0.000 0.000 0.194 313 D C 1.555 177.860 176.300 0.008 0.000 1.001 313 D CA 1.500 55.502 54.000 0.002 0.000 0.849 313 D CB -0.072 40.726 40.800 -0.003 0.000 0.939 313 D HN 0.699 nan 8.370 nan 0.000 0.449 314 A N 0.493 123.310 122.820 -0.005 0.000 1.902 314 A HA -0.143 4.177 4.320 -0.000 0.000 0.217 314 A C 2.219 179.812 177.584 0.014 0.000 1.181 314 A CA 0.949 52.985 52.037 -0.001 0.000 0.623 314 A CB -0.558 18.436 19.000 -0.011 0.000 0.818 314 A HN 0.133 nan 8.150 nan 0.000 0.443 315 L N -0.700 120.528 121.223 0.009 0.000 2.072 315 L HA -0.036 4.304 4.340 -0.000 0.000 0.205 315 L C 2.483 179.416 176.870 0.105 0.000 1.079 315 L CA 1.916 56.778 54.840 0.036 0.000 0.752 315 L CB -0.736 41.319 42.059 -0.007 0.000 0.906 315 L HN 0.443 nan 8.230 nan 0.000 0.436 316 R N 0.257 120.819 120.500 0.103 0.000 2.096 316 R HA -0.185 4.155 4.340 -0.000 0.000 0.240 316 R C 2.160 178.574 176.300 0.191 0.000 1.139 316 R CA 1.998 58.219 56.100 0.201 0.000 0.952 316 R CB -0.924 29.456 30.300 0.133 0.000 0.854 316 R HN 0.342 nan 8.270 nan 0.000 0.436 317 A N 0.374 123.244 122.820 0.082 0.000 1.908 317 A HA -0.125 4.195 4.320 -0.000 0.000 0.218 317 A C 2.406 179.992 177.584 0.003 0.000 1.181 317 A CA 1.790 53.841 52.037 0.022 0.000 0.627 317 A CB -0.650 18.353 19.000 0.004 0.000 0.818 317 A HN 0.409 nan 8.150 nan 0.000 0.445 318 I N -2.349 118.244 120.570 0.038 0.000 2.142 318 I HA -0.279 3.890 4.170 -0.000 0.000 0.240 318 I C 2.443 178.574 176.117 0.023 0.000 1.078 318 I CA 1.787 63.102 61.300 0.025 0.000 1.343 318 I CB -0.404 37.626 38.000 0.049 0.000 1.046 318 I HN 0.751 nan 8.210 nan 0.000 0.405 319 W N 2.419 123.661 121.300 -0.097 0.000 2.333 319 W HA -0.242 4.418 4.660 0.000 0.000 0.316 319 W C 2.370 178.756 176.519 -0.223 0.000 1.215 319 W CA 1.748 58.992 57.345 -0.170 0.000 1.278 319 W CB -0.446 28.905 29.460 -0.182 0.000 1.154 319 W HN 0.096 nan 8.180 nan 0.000 0.486 320 E N -0.326 119.537 120.200 -0.562 0.000 2.160 320 E HA -0.326 4.024 4.350 -0.000 0.000 0.195 320 E C 1.986 178.251 176.600 -0.558 0.000 0.991 320 E CA 1.555 57.461 56.400 -0.824 0.000 0.810 320 E CB -0.368 29.058 29.700 -0.457 0.000 0.742 320 E HN 0.300 nan 8.360 nan 0.000 0.466 321 Q N 1.358 120.956 119.800 -0.337 0.000 2.046 321 Q HA -0.175 4.165 4.340 -0.000 0.000 0.200 321 Q C 1.639 177.474 176.000 -0.274 0.000 0.975 321 Q CA 1.634 57.290 55.803 -0.245 0.000 0.836 321 Q CB 0.039 28.691 28.738 -0.143 0.000 0.896 321 Q HN 0.276 nan 8.270 nan 0.000 0.428 322 E N -0.421 119.610 120.200 -0.281 0.000 2.110 322 E HA -0.181 4.168 4.350 -0.000 0.000 0.193 322 E C 1.846 178.212 176.600 -0.390 0.000 0.988 322 E CA 1.034 57.281 56.400 -0.254 0.000 0.804 322 E CB -0.195 29.409 29.700 -0.161 0.000 0.745 322 E HN 0.275 nan 8.360 nan 0.000 0.458 323 L N 0.957 121.811 121.223 -0.616 0.000 2.046 323 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 323 L C 2.204 178.722 176.870 -0.588 0.000 1.077 323 L CA 1.916 56.320 54.840 -0.726 0.000 0.747 323 L CB -0.774 40.649 42.059 -1.059 0.000 0.896 323 L HN 0.003 nan 8.230 nan 0.000 0.432 324 T N -0.380 113.886 114.554 -0.481 0.000 2.720 324 T HA -0.175 4.175 4.350 -0.000 0.000 0.268 324 T C 1.441 175.987 174.700 -0.256 0.000 1.037 324 T CA 1.684 63.580 62.100 -0.341 0.000 1.144 324 T CB -0.344 68.364 68.868 -0.268 0.000 0.864 324 T HN 0.379 nan 8.240 nan 0.000 0.444 325 D N 0.663 120.925 120.400 -0.230 0.000 2.178 325 D HA 0.012 4.652 4.640 -0.000 0.000 0.201 325 D C 2.047 178.272 176.300 -0.125 0.000 0.980 325 D CA 0.882 54.797 54.000 -0.142 0.000 0.842 325 D CB -0.222 40.514 40.800 -0.106 0.000 0.948 325 D HN 0.402 nan 8.370 nan 0.000 0.472 326 M N -0.421 119.024 119.600 -0.260 0.000 2.123 326 M HA -0.072 4.408 4.480 -0.000 0.000 0.263 326 M C 2.311 178.540 176.300 -0.118 0.000 1.069 326 M CA 0.976 56.081 55.300 -0.324 0.000 1.133 326 M CB -0.140 32.031 32.600 -0.714 0.000 1.356 326 M HN -0.091 nan 8.290 nan 0.000 0.415 327 R N 0.707 121.063 120.500 -0.240 0.000 2.073 327 R HA -0.184 4.156 4.340 -0.000 0.000 0.234 327 R C 2.034 178.312 176.300 -0.036 0.000 1.134 327 R CA 1.811 57.826 56.100 -0.142 0.000 0.952 327 R CB -0.118 30.026 30.300 -0.260 0.000 0.850 327 R HN 0.459 nan 8.270 nan 0.000 0.433 328 Q N -0.435 119.331 119.800 -0.057 0.000 2.119 328 Q HA -0.137 4.203 4.340 -0.000 0.000 0.201 328 Q C 2.212 178.225 176.000 0.023 0.000 0.972 328 Q CA 1.236 57.027 55.803 -0.020 0.000 0.847 328 Q CB -0.079 28.635 28.738 -0.040 0.000 0.903 328 Q HN 0.298 nan 8.270 nan 0.000 0.433 329 R N 0.754 121.287 120.500 0.056 0.000 2.096 329 R HA -0.110 4.230 4.340 -0.000 0.000 0.235 329 R C 2.061 178.418 176.300 0.094 0.000 1.127 329 R CA 1.060 57.215 56.100 0.092 0.000 0.968 329 R CB -0.098 30.305 30.300 0.173 0.000 0.861 329 R HN 0.259 nan 8.270 nan 0.000 0.440 330 I N 0.687 121.335 120.570 0.131 0.000 2.315 330 I HA -0.283 3.886 4.170 -0.000 0.000 0.248 330 I C 2.255 178.409 176.117 0.062 0.000 1.117 330 I CA 1.333 62.695 61.300 0.105 0.000 1.404 330 I CB -0.274 37.815 38.000 0.148 0.000 1.071 330 I HN 0.327 nan 8.210 nan 0.000 0.419 331 Q N 0.310 120.143 119.800 0.056 0.000 2.079 331 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 331 Q C 2.346 178.371 176.000 0.041 0.000 0.974 331 Q CA 1.259 57.090 55.803 0.046 0.000 0.840 331 Q CB -0.165 28.593 28.738 0.033 0.000 0.898 331 Q HN 0.375 nan 8.270 nan 0.000 0.430 332 R N -0.004 120.518 120.500 0.035 0.000 2.091 332 R HA -0.094 4.246 4.340 -0.000 0.000 0.238 332 R C 2.229 178.550 176.300 0.035 0.000 1.136 332 R CA 1.424 57.542 56.100 0.030 0.000 0.959 332 R CB -0.001 30.313 30.300 0.025 0.000 0.856 332 R HN 0.211 nan 8.270 nan 0.000 0.437 333 M N -0.344 119.276 119.600 0.033 0.000 2.175 333 M HA -0.127 4.353 4.480 -0.000 0.000 0.264 333 M C 2.140 178.479 176.300 0.066 0.000 1.063 333 M CA 1.461 56.778 55.300 0.027 0.000 1.119 333 M CB -0.762 31.830 32.600 -0.013 0.000 1.377 333 M HN 0.121 nan 8.290 nan 0.000 0.415 334 R N 0.114 120.655 120.500 0.068 0.000 2.083 334 R HA -0.246 4.094 4.340 -0.000 0.000 0.237 334 R C 2.295 178.669 176.300 0.124 0.000 1.137 334 R CA 2.105 58.274 56.100 0.115 0.000 0.951 334 R CB -0.184 30.168 30.300 0.087 0.000 0.851 334 R HN 0.268 nan 8.270 nan 0.000 0.434 335 Q N 0.497 120.340 119.800 0.072 0.000 2.050 335 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 335 Q C 1.924 177.950 176.000 0.042 0.000 0.980 335 Q CA 1.644 57.473 55.803 0.043 0.000 0.840 335 Q CB -0.471 28.284 28.738 0.028 0.000 0.898 335 Q HN 0.356 nan 8.270 nan 0.000 0.424 336 L N -0.111 121.147 121.223 0.057 0.000 2.042 336 L HA -0.090 4.250 4.340 -0.000 0.000 0.210 336 L C 2.076 178.997 176.870 0.085 0.000 1.076 336 L CA 1.798 56.670 54.840 0.053 0.000 0.749 336 L CB -1.058 41.031 42.059 0.049 0.000 0.893 336 L HN 0.413 nan 8.230 nan 0.000 0.432 337 F N -0.591 119.322 119.950 -0.063 0.000 2.095 337 F HA -0.210 4.317 4.527 -0.000 0.000 0.298 337 F C 2.235 177.961 175.800 -0.123 0.000 1.104 337 F CA 1.995 59.938 58.000 -0.095 0.000 1.232 337 F CB -0.808 38.137 39.000 -0.091 0.000 0.987 337 F HN -0.055 nan 8.300 nan 0.000 0.475 338 V N 0.774 120.574 119.914 -0.190 0.000 2.358 338 V HA -0.281 3.839 4.120 -0.000 0.000 0.246 338 V C 2.261 178.234 176.094 -0.202 0.000 1.047 338 V CA 2.011 64.130 62.300 -0.303 0.000 1.035 338 V CB -0.798 30.927 31.823 -0.164 0.000 0.658 338 V HN 0.342 nan 8.190 nan 0.000 0.452 339 N N 0.095 118.731 118.700 -0.107 0.000 2.188 339 N HA -0.118 4.622 4.740 -0.000 0.000 0.184 339 N C 1.898 177.357 175.510 -0.085 0.000 1.018 339 N CA 1.866 54.872 53.050 -0.074 0.000 0.858 339 N CB -0.436 38.029 38.487 -0.036 0.000 0.989 339 N HN 0.442 nan 8.380 nan 0.000 0.426 340 T N 1.761 116.261 114.554 -0.090 0.000 2.857 340 T HA 0.078 4.428 4.350 -0.000 0.000 0.266 340 T C 2.154 176.772 174.700 -0.137 0.000 1.048 340 T CA 0.313 62.365 62.100 -0.080 0.000 1.139 340 T CB -0.088 68.762 68.868 -0.030 0.000 0.874 340 T HN 0.118 nan 8.240 nan 0.000 0.455 341 L N 0.644 121.713 121.223 -0.258 0.000 2.042 341 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 341 L C 2.869 179.631 176.870 -0.180 0.000 1.076 341 L CA 1.243 55.887 54.840 -0.328 0.000 0.749 341 L CB -0.387 41.290 42.059 -0.636 0.000 0.893 341 L HN 0.180 nan 8.230 nan 0.000 0.432 342 Q N -0.381 119.339 119.800 -0.132 0.000 2.079 342 Q HA -0.225 4.115 4.340 -0.000 0.000 0.200 342 Q C 2.000 177.968 176.000 -0.054 0.000 0.974 342 Q CA 1.383 57.147 55.803 -0.066 0.000 0.840 342 Q CB -0.171 28.537 28.738 -0.050 0.000 0.898 342 Q HN 0.354 nan 8.270 nan 0.000 0.430 343 E N 0.159 120.324 120.200 -0.059 0.000 2.085 343 E HA -0.189 4.161 4.350 -0.000 0.000 0.194 343 E C 0.934 177.510 176.600 -0.040 0.000 0.994 343 E CA 1.175 57.550 56.400 -0.042 0.000 0.801 343 E CB 0.095 29.772 29.700 -0.039 0.000 0.743 343 E HN -0.051 nan 8.360 nan 0.000 0.453 344 K N -0.994 119.372 120.400 -0.056 0.000 2.505 344 K HA 0.172 4.492 4.320 -0.000 0.000 0.192 344 K C 0.385 176.958 176.600 -0.044 0.000 1.025 344 K CA 0.701 56.957 56.287 -0.052 0.000 1.086 344 K CB 0.486 32.944 32.500 -0.070 0.000 0.840 344 K HN 0.280 nan 8.250 nan 0.000 0.514 345 G N -0.144 108.634 108.800 -0.037 0.000 2.165 345 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 345 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 345 G C 0.073 174.966 174.900 -0.011 0.000 1.035 345 G CA -0.109 44.979 45.100 -0.020 0.000 0.744 345 G HN 0.448 nan 8.290 nan 0.000 0.501 346 A N -0.517 122.293 122.820 -0.016 0.000 2.524 346 A HA 0.567 4.887 4.320 -0.000 0.000 0.250 346 A C 1.154 178.780 177.584 0.070 0.000 1.078 346 A CA 1.380 53.437 52.037 0.034 0.000 0.761 346 A CB -0.150 18.879 19.000 0.048 0.000 1.012 346 A HN 1.936 nan 8.150 nan 0.000 0.500 347 N N 1.096 119.845 118.700 0.081 0.000 2.484 347 N HA 0.495 5.235 4.740 -0.000 0.000 0.245 347 N C 0.384 175.929 175.510 0.059 0.000 1.184 347 N CA 1.268 54.353 53.050 0.058 0.000 0.884 347 N CB -0.423 38.091 38.487 0.045 0.000 1.182 347 N HN 1.444 nan 8.380 nan 0.000 0.493 348 R N -0.584 119.962 120.500 0.077 0.000 2.835 348 R HA 0.671 5.011 4.340 -0.000 0.000 0.271 348 R C -2.101 174.187 176.300 -0.021 0.000 1.013 348 R CA -0.057 56.037 56.100 -0.010 0.000 0.876 348 R CB -0.016 30.214 30.300 -0.116 0.000 1.348 348 R HN 0.428 nan 8.270 nan 0.000 0.453 349 D N -0.198 120.115 120.400 -0.145 0.000 2.381 349 D HA 0.578 5.218 4.640 -0.000 0.000 0.235 349 D C -0.914 175.201 176.300 -0.308 0.000 1.068 349 D CA -0.343 53.591 54.000 -0.110 0.000 0.832 349 D CB 0.698 41.470 40.800 -0.048 0.000 1.101 349 D HN 0.370 nan 8.370 nan 0.000 0.515 350 F N 2.626 122.399 119.950 -0.296 0.000 2.819 350 F HA 0.206 4.733 4.527 -0.000 0.000 0.294 350 F C 2.131 177.464 175.800 -0.779 0.000 1.166 350 F CA -0.330 57.236 58.000 -0.722 0.000 1.374 350 F CB 0.298 38.918 39.000 -0.633 0.000 0.956 350 F HN 0.369 nan 8.300 nan 0.000 0.509 351 S N 0.671 116.170 115.700 -0.334 0.000 2.382 351 S HA -0.221 4.249 4.470 -0.000 0.000 0.228 351 S C 2.298 176.791 174.600 -0.178 0.000 1.027 351 S CA 1.751 59.844 58.200 -0.179 0.000 0.991 351 S CB -0.380 62.792 63.200 -0.047 0.000 0.823 351 S HN 0.514 nan 8.310 nan 0.000 0.469 352 F N 1.034 120.962 119.950 -0.037 0.000 2.250 352 F HA 0.027 4.554 4.527 -0.000 0.000 0.301 352 F C 1.734 177.580 175.800 0.076 0.000 1.077 352 F CA 0.653 58.653 58.000 0.001 0.000 1.348 352 F CB -0.962 37.982 39.000 -0.093 0.000 1.040 352 F HN 0.172 nan 8.300 nan 0.000 0.509 353 I N 0.821 121.125 120.570 -0.442 0.000 2.423 353 I HA -0.269 3.901 4.170 -0.000 0.000 0.254 353 I C 2.184 178.341 176.117 0.067 0.000 1.151 353 I CA 0.789 62.051 61.300 -0.063 0.000 1.421 353 I CB -0.483 37.449 38.000 -0.115 0.000 1.079 353 I HN 0.199 nan 8.210 nan 0.000 0.431 354 I N 1.301 121.883 120.570 0.019 0.000 2.676 354 I HA -0.197 3.973 4.170 -0.000 0.000 0.259 354 I C 2.737 178.909 176.117 0.091 0.000 1.194 354 I CA 1.262 62.594 61.300 0.053 0.000 1.473 354 I CB -1.512 36.503 38.000 0.025 0.000 1.096 354 I HN 0.240 nan 8.210 nan 0.000 0.443 355 K N 0.745 121.222 120.400 0.127 0.000 2.444 355 K HA 0.064 4.384 4.320 -0.000 0.000 0.193 355 K C 0.995 177.697 176.600 0.170 0.000 1.024 355 K CA 0.177 56.551 56.287 0.145 0.000 1.077 355 K CB -0.560 32.039 32.500 0.166 0.000 0.833 355 K HN 0.430 nan 8.250 nan 0.000 0.517 356 Q N 0.206 120.121 119.800 0.191 0.000 2.230 356 Q HA 0.303 4.643 4.340 -0.000 0.000 0.248 356 Q C -0.830 175.261 176.000 0.152 0.000 0.915 356 Q CA -0.528 55.395 55.803 0.199 0.000 0.900 356 Q CB 1.212 30.101 28.738 0.251 0.000 1.229 356 Q HN 0.561 nan 8.270 nan 0.000 0.439 357 N N -0.240 118.549 118.700 0.148 0.000 2.430 357 N HA 0.618 5.357 4.740 -0.000 0.000 0.298 357 N C -0.149 175.404 175.510 0.071 0.000 1.130 357 N CA -0.009 53.115 53.050 0.122 0.000 0.894 357 N CB 1.536 40.115 38.487 0.153 0.000 1.209 357 N HN 0.762 nan 8.380 nan 0.000 0.503 358 G N 0.422 109.247 108.800 0.042 0.000 2.527 358 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.227 358 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.227 358 G C 0.396 175.185 174.900 -0.184 0.000 1.291 358 G CA -0.153 44.892 45.100 -0.092 0.000 0.904 358 G HN 0.483 nan 8.290 nan 0.000 0.577 359 M N -0.181 119.102 119.600 -0.528 0.000 2.435 359 M HA 0.322 4.802 4.480 -0.000 0.000 0.265 359 M C 0.681 176.613 176.300 -0.614 0.000 1.104 359 M CA 0.812 55.727 55.300 -0.643 0.000 1.140 359 M CB 0.103 32.090 32.600 -1.021 0.000 1.372 359 M HN 0.276 nan 8.290 nan 0.000 0.456 360 F N 0.211 120.108 119.950 -0.089 0.000 2.403 360 F HA 0.484 5.011 4.527 -0.000 0.000 0.326 360 F C 0.575 176.411 175.800 0.060 0.000 1.099 360 F CA -1.362 56.628 58.000 -0.016 0.000 1.036 360 F CB 0.750 39.743 39.000 -0.013 0.000 1.336 360 F HN -0.117 nan 8.300 nan 0.000 0.497 361 S N -0.115 115.807 115.700 0.369 0.000 2.592 361 S HA 0.409 4.879 4.470 -0.000 0.000 0.275 361 S C -1.445 173.432 174.600 0.462 0.000 1.169 361 S CA -0.675 57.745 58.200 0.367 0.000 0.958 361 S CB 0.600 63.985 63.200 0.308 0.000 1.095 361 S HN 0.376 nan 8.310 nan 0.000 0.471 362 F N 4.455 124.564 119.950 0.266 0.000 2.515 362 F HA 0.324 4.851 4.527 -0.000 0.000 0.353 362 F C 1.935 177.969 175.800 0.390 0.000 1.213 362 F CA -0.896 57.235 58.000 0.217 0.000 1.194 362 F CB 0.199 39.222 39.000 0.039 0.000 1.488 362 F HN 0.903 nan 8.300 nan 0.000 0.619 363 S N 2.491 118.399 115.700 0.347 0.000 2.392 363 S HA -0.113 4.357 4.470 -0.000 0.000 0.232 363 S C 1.982 176.842 174.600 0.433 0.000 1.041 363 S CA 1.393 59.860 58.200 0.445 0.000 1.026 363 S CB -0.717 62.673 63.200 0.316 0.000 0.845 363 S HN 1.317 nan 8.310 nan 0.000 0.465 364 G N -0.095 108.779 108.800 0.123 0.000 2.213 364 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.226 364 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.226 364 G C -0.136 174.794 174.900 0.051 0.000 0.992 364 G CA -0.011 45.140 45.100 0.087 0.000 0.632 364 G HN 0.518 nan 8.290 nan 0.000 0.511 365 L N 2.383 123.655 121.223 0.081 0.000 2.483 365 L HA 0.488 4.828 4.340 -0.000 0.000 0.276 365 L C 1.674 178.541 176.870 -0.006 0.000 1.213 365 L CA 0.940 55.819 54.840 0.064 0.000 0.843 365 L CB 0.432 42.537 42.059 0.077 0.000 1.107 365 L HN 0.532 nan 8.230 nan 0.000 0.487 366 T N -0.904 113.656 114.554 0.010 0.000 2.824 366 T HA 0.497 4.847 4.350 -0.000 0.000 0.277 366 T C 1.228 175.927 174.700 -0.002 0.000 0.975 366 T CA -0.064 62.034 62.100 -0.004 0.000 0.966 366 T CB 0.872 69.745 68.868 0.009 0.000 1.054 366 T HN 0.618 nan 8.240 nan 0.000 0.533 367 K N 0.042 120.441 120.400 -0.002 0.000 2.057 367 K HA 0.039 4.359 4.320 -0.000 0.000 0.207 367 K C 2.667 179.272 176.600 0.008 0.000 1.049 367 K CA 2.271 58.559 56.287 0.002 0.000 0.931 367 K CB -1.966 30.536 32.500 0.004 0.000 0.714 367 K HN 0.963 nan 8.250 nan 0.000 0.440 368 E N 1.365 121.572 120.200 0.011 0.000 2.077 368 E HA -0.275 4.075 4.350 -0.000 0.000 0.193 368 E C 2.176 178.791 176.600 0.024 0.000 0.989 368 E CA 1.596 58.005 56.400 0.016 0.000 0.800 368 E CB -0.666 29.044 29.700 0.017 0.000 0.746 368 E HN 0.863 nan 8.360 nan 0.000 0.452 369 Q N -0.259 119.558 119.800 0.029 0.000 2.079 369 Q HA -0.062 4.278 4.340 -0.000 0.000 0.200 369 Q C 2.549 178.571 176.000 0.038 0.000 0.974 369 Q CA 1.493 57.321 55.803 0.042 0.000 0.840 369 Q CB -0.144 28.621 28.738 0.045 0.000 0.898 369 Q HN 0.487 nan 8.270 nan 0.000 0.430 370 V N 1.167 121.094 119.914 0.022 0.000 2.407 370 V HA -0.239 3.881 4.120 -0.000 0.000 0.248 370 V C 2.156 178.246 176.094 -0.007 0.000 1.055 370 V CA 1.347 63.653 62.300 0.010 0.000 1.049 370 V CB -0.471 31.355 31.823 0.005 0.000 0.662 370 V HN 0.291 nan 8.190 nan 0.000 0.455 371 L N 0.228 121.449 121.223 -0.003 0.000 2.056 371 L HA -0.106 4.234 4.340 -0.000 0.000 0.207 371 L C 2.548 179.410 176.870 -0.012 0.000 1.078 371 L CA 1.971 56.800 54.840 -0.019 0.000 0.749 371 L CB -0.589 41.466 42.059 -0.007 0.000 0.901 371 L HN 0.174 nan 8.230 nan 0.000 0.433 372 R N -0.758 119.759 120.500 0.029 0.000 2.081 372 R HA -0.136 4.204 4.340 -0.000 0.000 0.235 372 R C 2.289 178.683 176.300 0.157 0.000 1.131 372 R CA 1.748 57.894 56.100 0.076 0.000 0.960 372 R CB -0.383 29.985 30.300 0.113 0.000 0.856 372 R HN 0.420 nan 8.270 nan 0.000 0.436 373 L N 0.204 121.518 121.223 0.152 0.000 2.042 373 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 373 L C 2.887 179.816 176.870 0.098 0.000 1.076 373 L CA 1.637 56.600 54.840 0.204 0.000 0.749 373 L CB -0.472 41.622 42.059 0.059 0.000 0.893 373 L HN 0.303 nan 8.230 nan 0.000 0.432 374 R N 0.405 120.846 120.500 -0.098 0.000 2.061 374 R HA -0.169 4.171 4.340 -0.000 0.000 0.230 374 R C 2.120 178.291 176.300 -0.215 0.000 1.140 374 R CA 1.716 57.599 56.100 -0.362 0.000 0.940 374 R CB -0.125 29.850 30.300 -0.542 0.000 0.839 374 R HN 0.357 nan 8.270 nan 0.000 0.429 375 E N -0.037 120.087 120.200 -0.126 0.000 2.072 375 E HA -0.167 4.182 4.350 -0.000 0.000 0.191 375 E C 1.905 178.434 176.600 -0.119 0.000 0.985 375 E CA 1.565 57.910 56.400 -0.091 0.000 0.801 375 E CB 0.132 29.792 29.700 -0.067 0.000 0.750 375 E HN 0.496 nan 8.360 nan 0.000 0.452 376 E N -0.822 119.273 120.200 -0.175 0.000 2.276 376 E HA -0.016 4.334 4.350 -0.000 0.000 0.193 376 E C 1.007 177.224 176.600 -0.638 0.000 0.983 376 E CA 0.496 56.630 56.400 -0.443 0.000 0.861 376 E CB 0.278 29.594 29.700 -0.640 0.000 0.817 376 E HN 0.242 nan 8.360 nan 0.000 0.485 377 F N -0.538 119.403 119.950 -0.016 0.000 2.728 377 F HA 0.326 4.853 4.527 -0.000 0.000 0.314 377 F C 1.338 177.157 175.800 0.031 0.000 1.094 377 F CA 0.174 58.178 58.000 0.006 0.000 1.217 377 F CB 1.160 40.163 39.000 0.006 0.000 1.056 377 F HN -0.009 nan 8.300 nan 0.000 0.577 378 G N 1.525 110.409 108.800 0.140 0.000 2.198 378 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 378 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 378 G C -0.252 174.829 174.900 0.302 0.000 1.025 378 G CA 0.235 45.457 45.100 0.203 0.000 0.769 378 G HN 0.180 nan 8.290 nan 0.000 0.507 379 V N 0.858 120.867 119.914 0.160 0.000 2.347 379 V HA 0.491 4.611 4.120 -0.000 0.000 0.280 379 V C -0.178 175.947 176.094 0.051 0.000 1.021 379 V CA -0.998 61.407 62.300 0.176 0.000 0.847 379 V CB 0.842 32.728 31.823 0.106 0.000 0.990 379 V HN 0.249 nan 8.190 nan 0.000 0.444 380 Y N 3.558 123.909 120.300 0.085 0.000 2.341 380 Y HA 0.712 5.262 4.550 -0.000 0.000 0.340 380 Y C 0.514 176.412 175.900 -0.003 0.000 0.997 380 Y CA -0.247 57.882 58.100 0.049 0.000 1.149 380 Y CB 1.509 40.000 38.460 0.052 0.000 1.171 380 Y HN 0.722 nan 8.280 nan 0.000 0.494 381 A N 2.102 124.979 122.820 0.095 0.000 2.527 381 A HA 0.790 5.110 4.320 -0.000 0.000 0.293 381 A C -1.226 176.396 177.584 0.065 0.000 1.117 381 A CA -0.864 51.214 52.037 0.068 0.000 0.723 381 A CB 0.785 19.812 19.000 0.044 0.000 1.313 381 A HN 0.414 nan 8.150 nan 0.000 0.411 382 V N 1.310 121.258 119.914 0.057 0.000 2.715 382 V HA 0.310 4.430 4.120 -0.000 0.000 0.299 382 V C 1.773 177.888 176.094 0.035 0.000 1.054 382 V CA 0.660 62.987 62.300 0.045 0.000 1.077 382 V CB 0.971 32.813 31.823 0.031 0.000 0.972 382 V HN 1.313 nan 8.190 nan 0.000 0.484 383 A N 3.385 126.222 122.820 0.028 0.000 2.186 383 A HA -0.116 4.204 4.320 -0.000 0.000 0.219 383 A C 2.134 179.725 177.584 0.012 0.000 1.159 383 A CA 1.712 53.759 52.037 0.017 0.000 0.680 383 A CB -0.485 18.524 19.000 0.015 0.000 0.787 383 A HN 1.078 nan 8.150 nan 0.000 0.467 384 S N -2.374 113.344 115.700 0.030 0.000 2.593 384 S HA 0.381 4.851 4.470 -0.000 0.000 0.217 384 S C 1.393 175.929 174.600 -0.107 0.000 0.966 384 S CA 0.962 59.182 58.200 0.034 0.000 0.914 384 S CB -0.198 63.109 63.200 0.179 0.000 0.776 384 S HN 1.847 nan 8.310 nan 0.000 0.523 385 G N 1.362 110.124 108.800 -0.063 0.000 2.175 385 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.244 385 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.244 385 G C 0.075 174.968 174.900 -0.011 0.000 0.982 385 G CA -0.030 45.009 45.100 -0.101 0.000 0.641 385 G HN 0.675 nan 8.290 nan 0.000 0.527 386 R N 0.317 120.876 120.500 0.098 0.000 2.442 386 R HA 0.508 4.848 4.340 -0.000 0.000 0.291 386 R C -0.434 175.955 176.300 0.150 0.000 1.069 386 R CA -0.036 56.189 56.100 0.209 0.000 1.022 386 R CB 0.665 31.047 30.300 0.137 0.000 0.976 386 R HN 0.086 nan 8.270 nan 0.000 0.443 387 V N 4.118 124.149 119.914 0.195 0.000 2.680 387 V HA 0.146 4.266 4.120 -0.000 0.000 0.309 387 V C -0.408 175.793 176.094 0.178 0.000 1.052 387 V CA -0.994 61.379 62.300 0.120 0.000 0.908 387 V CB 1.908 33.742 31.823 0.019 0.000 1.001 387 V HN 0.751 nan 8.190 nan 0.000 0.431 388 N N 3.362 122.134 118.700 0.120 0.000 2.469 388 N HA 0.184 4.924 4.740 -0.000 0.000 0.239 388 N C 0.600 176.045 175.510 -0.109 0.000 1.053 388 N CA -0.055 53.039 53.050 0.074 0.000 0.937 388 N CB 1.389 39.918 38.487 0.071 0.000 1.163 388 N HN 0.367 nan 8.380 nan 0.000 0.509 389 V N 2.989 122.816 119.914 -0.146 0.000 2.626 389 V HA -0.166 3.954 4.120 -0.000 0.000 0.252 389 V C 2.083 178.082 176.094 -0.159 0.000 1.067 389 V CA 1.958 64.136 62.300 -0.202 0.000 1.081 389 V CB -0.927 30.811 31.823 -0.141 0.000 0.686 389 V HN 0.775 nan 8.190 nan 0.000 0.468 390 A N 0.359 123.093 122.820 -0.142 0.000 2.172 390 A HA 0.074 4.394 4.320 -0.000 0.000 0.216 390 A C 2.157 179.619 177.584 -0.203 0.000 1.154 390 A CA 1.310 53.281 52.037 -0.109 0.000 0.701 390 A CB -0.547 18.446 19.000 -0.012 0.000 0.789 390 A HN 0.543 nan 8.150 nan 0.000 0.465 391 G N -1.234 107.457 108.800 -0.182 0.000 3.042 391 G HA2 0.337 4.297 3.960 -0.000 0.000 0.212 391 G HA3 0.337 4.297 3.960 -0.000 0.000 0.212 391 G C 0.533 175.328 174.900 -0.174 0.000 1.166 391 G CA -0.324 44.664 45.100 -0.188 0.000 0.767 391 G HN 0.444 nan 8.290 nan 0.000 0.546 392 M N 1.713 121.207 119.600 -0.176 0.000 2.249 392 M HA 0.434 4.914 4.480 -0.000 0.000 0.351 392 M C 0.311 176.541 176.300 -0.117 0.000 1.180 392 M CA -0.161 55.049 55.300 -0.150 0.000 1.127 392 M CB 1.728 34.213 32.600 -0.191 0.000 1.546 392 M HN 0.101 nan 8.290 nan 0.000 0.461 393 T N -1.249 113.256 114.554 -0.081 0.000 2.887 393 T HA 0.500 4.850 4.350 -0.000 0.000 0.292 393 T C -2.546 172.135 174.700 -0.031 0.000 1.087 393 T CA -1.768 60.295 62.100 -0.060 0.000 1.009 393 T CB 1.728 70.561 68.868 -0.059 0.000 1.203 393 T HN 0.272 nan 8.240 nan 0.000 0.518 394 P HA -0.027 nan 4.420 nan 0.000 0.219 394 P C 0.874 178.172 177.300 -0.004 0.000 1.146 394 P CA 0.920 64.016 63.100 -0.006 0.000 0.808 394 P CB 0.074 31.772 31.700 -0.004 0.000 0.779 395 D N -0.717 119.679 120.400 -0.006 0.000 2.103 395 D HA -0.101 4.539 4.640 -0.000 0.000 0.199 395 D C 1.383 177.686 176.300 0.004 0.000 0.978 395 D CA 1.252 55.252 54.000 0.000 0.000 0.829 395 D CB -0.663 40.137 40.800 0.001 0.000 0.981 395 D HN 0.305 nan 8.370 nan 0.000 0.464 396 N N 0.150 118.849 118.700 -0.002 0.000 2.398 396 N HA -0.049 4.691 4.740 -0.000 0.000 0.188 396 N C 1.486 176.998 175.510 0.003 0.000 1.122 396 N CA 0.152 53.205 53.050 0.005 0.000 0.866 396 N CB -0.244 38.244 38.487 0.002 0.000 0.970 396 N HN -0.003 nan 8.380 nan 0.000 0.462 397 M N 1.049 120.651 119.600 0.003 0.000 2.065 397 M HA 0.034 4.514 4.480 -0.000 0.000 0.259 397 M C 1.966 178.281 176.300 0.025 0.000 1.069 397 M CA 1.586 56.898 55.300 0.020 0.000 1.110 397 M CB -0.731 31.886 32.600 0.027 0.000 1.328 397 M HN 0.287 nan 8.290 nan 0.000 0.405 398 A N 0.117 122.945 122.820 0.013 0.000 1.841 398 A HA -0.116 4.204 4.320 -0.000 0.000 0.216 398 A C -0.134 177.451 177.584 0.001 0.000 1.199 398 A CA 2.001 54.041 52.037 0.005 0.000 0.621 398 A CB -2.355 16.647 19.000 0.005 0.000 0.835 398 A HN 0.453 nan 8.150 nan 0.000 0.445 399 P HA -0.189 nan 4.420 nan 0.000 0.216 399 P C 1.833 179.133 177.300 -0.001 0.000 1.153 399 P CA 1.173 64.284 63.100 0.019 0.000 0.858 399 P CB -0.163 31.561 31.700 0.040 0.000 0.789 400 L N -0.814 120.412 121.223 0.006 0.000 1.970 400 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 400 L C 1.995 178.852 176.870 -0.021 0.000 1.071 400 L CA 2.087 56.926 54.840 -0.001 0.000 0.751 400 L CB -0.975 41.089 42.059 0.007 0.000 0.889 400 L HN 0.032 nan 8.230 nan 0.000 0.432 401 C N 0.237 119.538 119.300 0.002 0.000 2.422 401 C HA -0.131 4.329 4.460 -0.000 0.000 0.279 401 C C 2.504 177.426 174.990 -0.113 0.000 1.305 401 C CA 0.834 59.826 59.018 -0.044 0.000 1.757 401 C CB -0.970 26.739 27.740 -0.051 0.000 1.962 401 C HN 0.581 nan 8.230 nan 0.000 0.499 402 E N 0.819 120.959 120.200 -0.100 0.000 2.110 402 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 402 E C 2.335 178.782 176.600 -0.255 0.000 0.988 402 E CA 1.261 57.586 56.400 -0.124 0.000 0.804 402 E CB -0.172 29.488 29.700 -0.067 0.000 0.745 402 E HN 0.687 nan 8.360 nan 0.000 0.458 403 A N 0.961 123.578 122.820 -0.337 0.000 1.898 403 A HA -0.158 4.162 4.320 -0.000 0.000 0.216 403 A C 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