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 2cy0_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLRFAVLGHP VAHSLSPAMH AFALESLGLE GSYEAWDTPL EALPGRLKEV DATA SEQUENCE RRAFRGVNLT LPLKEAALAH LDWVSPEAQR IGAVNTVLQV EGRLFGFNTD DATA SEQUENCE APGFLEALKA GGIPLKGPAL VLGAGGAGRA VAFALREAGL EVWVWNRTPQ DATA SEQUENCE RALALAEEFG LRAVPLEKAR EARLLVNATR VGLEDPSASP LPAELFPEEG DATA SEQUENCE AAVDLVYRPL WTRFLREAKA KGLKVQTGLP MLAWQGALAF RLWTGLLPDP DATA SEQUENCE SGMEEAARRA LGV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.183 176.300 -0.195 0.000 1.140 1 M CA 0.000 55.228 55.300 -0.119 0.000 0.988 1 M CB 0.000 32.526 32.600 -0.123 0.000 1.302 2 L N 4.453 125.558 121.223 -0.196 0.000 2.319 2 L HA 0.521 4.861 4.340 0.001 0.000 0.280 2 L C -0.226 176.283 176.870 -0.601 0.000 1.099 2 L CA -0.652 53.944 54.840 -0.407 0.000 0.828 2 L CB 0.560 42.465 42.059 -0.256 0.000 1.150 2 L HN 0.548 nan 8.230 nan 0.000 0.442 3 R N 4.500 124.488 120.500 -0.854 0.000 2.310 3 R HA 0.563 4.904 4.340 0.001 0.000 0.324 3 R C -1.063 174.741 176.300 -0.828 0.000 0.955 3 R CA -0.397 55.237 56.100 -0.777 0.000 0.830 3 R CB 1.041 30.809 30.300 -0.887 0.000 1.154 3 R HN 0.332 nan 8.270 nan 0.000 0.458 4 F N 0.344 120.218 119.950 -0.127 0.000 2.611 4 F HA 0.850 5.377 4.527 0.001 0.000 0.324 4 F C 0.144 175.714 175.800 -0.384 0.000 1.061 4 F CA -1.066 56.750 58.000 -0.306 0.000 0.954 4 F CB 2.283 41.039 39.000 -0.405 0.000 1.301 4 F HN 0.486 nan 8.300 nan 0.000 0.482 5 A N 0.437 122.914 122.820 -0.572 0.000 2.597 5 A HA 0.615 4.935 4.320 0.001 0.000 0.292 5 A C -2.254 175.014 177.584 -0.527 0.000 1.057 5 A CA -0.687 50.976 52.037 -0.623 0.000 0.674 5 A CB 1.446 20.340 19.000 -0.178 0.000 1.278 5 A HN 0.747 nan 8.150 nan 0.000 0.416 6 V N 2.331 122.140 119.914 -0.175 0.000 2.384 6 V HA 0.695 4.816 4.120 0.001 0.000 0.287 6 V C -1.014 175.143 176.094 0.106 0.000 1.020 6 V CA -0.567 61.812 62.300 0.132 0.000 0.850 6 V CB 0.793 32.847 31.823 0.385 0.000 0.987 6 V HN 0.705 nan 8.190 nan 0.000 0.436 7 L N 7.552 128.814 121.223 0.064 0.000 2.307 7 L HA 1.003 5.344 4.340 0.001 0.000 0.284 7 L C 0.532 177.436 176.870 0.057 0.000 1.023 7 L CA -0.019 54.830 54.840 0.015 0.000 0.810 7 L CB 1.432 43.432 42.059 -0.098 0.000 1.231 7 L HN 0.880 nan 8.230 nan 0.000 0.423 8 G N 0.660 109.502 108.800 0.070 0.000 2.320 8 G HA2 0.342 4.303 3.960 0.001 0.000 0.296 8 G HA3 0.342 4.303 3.960 0.001 0.000 0.296 8 G C -2.330 172.679 174.900 0.181 0.000 1.306 8 G CA -0.578 44.587 45.100 0.108 0.000 0.836 8 G HN 0.545 nan 8.290 nan 0.000 0.517 9 H N 1.179 120.275 119.070 0.043 0.000 3.177 9 H HA 0.622 5.178 4.556 0.001 0.000 0.314 9 H C -2.286 173.073 175.328 0.052 0.000 1.059 9 H CA -1.156 54.918 56.048 0.043 0.000 1.515 9 H CB 1.866 31.642 29.762 0.023 0.000 1.672 9 H HN 0.566 nan 8.280 nan 0.000 0.514 10 P HA 0.263 nan 4.420 nan 0.000 0.284 10 P C -0.008 177.373 177.300 0.135 0.000 1.292 10 P CA -0.499 62.648 63.100 0.078 0.000 0.800 10 P CB 2.235 33.950 31.700 0.026 0.000 1.188 11 V N -5.818 114.184 119.914 0.147 0.000 3.509 11 V HA 0.350 4.471 4.120 0.001 0.000 0.286 11 V C 1.667 177.831 176.094 0.117 0.000 1.618 11 V CA 0.656 63.049 62.300 0.155 0.000 1.088 11 V CB -0.651 31.278 31.823 0.177 0.000 0.909 11 V HN 0.487 nan 8.190 nan 0.000 0.429 12 A N -0.021 122.826 122.820 0.045 0.000 2.070 12 A HA -0.107 4.213 4.320 0.001 0.000 0.220 12 A C 1.795 179.243 177.584 -0.226 0.000 1.159 12 A CA 2.010 53.986 52.037 -0.102 0.000 0.656 12 A CB -0.800 18.079 19.000 -0.201 0.000 0.800 12 A HN 0.761 nan 8.150 nan 0.000 0.453 13 H N -1.122 118.011 119.070 0.105 0.000 2.755 13 H HA 0.203 4.760 4.556 0.001 0.000 0.273 13 H C 0.563 175.972 175.328 0.134 0.000 1.055 13 H CA 0.339 56.451 56.048 0.106 0.000 1.191 13 H CB 0.089 29.904 29.762 0.089 0.000 1.536 13 H HN 0.430 nan 8.280 nan 0.000 0.529 14 S N 1.023 116.857 115.700 0.224 0.000 2.558 14 S HA 0.023 4.494 4.470 0.001 0.000 0.288 14 S C 1.367 176.078 174.600 0.185 0.000 1.318 14 S CA -0.382 57.951 58.200 0.221 0.000 1.056 14 S CB 0.364 63.701 63.200 0.229 0.000 0.853 14 S HN 0.353 nan 8.310 nan 0.000 0.505 15 L N 4.287 125.600 121.223 0.151 0.000 2.592 15 L HA 0.089 4.430 4.340 0.001 0.000 0.227 15 L C 2.365 179.259 176.870 0.039 0.000 1.127 15 L CA -0.011 54.872 54.840 0.072 0.000 0.884 15 L CB -0.388 41.665 42.059 -0.010 0.000 1.065 15 L HN 0.600 nan 8.230 nan 0.000 0.457 16 S N 0.982 116.739 115.700 0.094 0.000 2.370 16 S HA -0.094 4.377 4.470 0.001 0.000 0.226 16 S C -0.486 174.048 174.600 -0.110 0.000 1.033 16 S CA 1.442 59.670 58.200 0.047 0.000 1.011 16 S CB -0.757 62.560 63.200 0.196 0.000 0.852 16 S HN 0.275 nan 8.310 nan 0.000 0.457 17 P HA -0.068 nan 4.420 nan 0.000 0.215 17 P C 1.443 178.791 177.300 0.080 0.000 1.153 17 P CA 1.507 64.704 63.100 0.162 0.000 0.853 17 P CB -0.089 31.766 31.700 0.259 0.000 0.788 18 A N -1.191 121.659 122.820 0.051 0.000 1.898 18 A HA -0.183 4.137 4.320 0.001 0.000 0.216 18 A C 2.183 179.764 177.584 -0.005 0.000 1.181 18 A CA 1.761 53.817 52.037 0.031 0.000 0.620 18 A CB -1.381 17.628 19.000 0.014 0.000 0.819 18 A HN 0.088 nan 8.150 nan 0.000 0.442 19 M N -1.299 118.252 119.600 -0.083 0.000 2.086 19 M HA -0.128 4.353 4.480 0.001 0.000 0.261 19 M C 2.065 178.250 176.300 -0.192 0.000 1.067 19 M CA 1.385 56.582 55.300 -0.171 0.000 1.116 19 M CB -0.733 31.682 32.600 -0.309 0.000 1.348 19 M HN 0.489 nan 8.290 nan 0.000 0.407 20 H N -0.391 118.571 119.070 -0.179 0.000 2.495 20 H HA 0.074 4.631 4.556 0.001 0.000 0.287 20 H C 2.148 177.470 175.328 -0.011 0.000 1.033 20 H CA 1.322 57.285 56.048 -0.141 0.000 1.307 20 H CB -0.052 29.540 29.762 -0.283 0.000 1.401 20 H HN 0.397 nan 8.280 nan 0.000 0.555 21 A N 1.010 123.905 122.820 0.125 0.000 1.930 21 A HA -0.156 4.165 4.320 0.001 0.000 0.217 21 A C 2.219 179.838 177.584 0.058 0.000 1.175 21 A CA 0.985 53.099 52.037 0.128 0.000 0.627 21 A CB -0.903 18.172 19.000 0.124 0.000 0.815 21 A HN 0.394 nan 8.150 nan 0.000 0.443 22 F N 0.908 120.803 119.950 -0.092 0.000 2.186 22 F HA 0.052 4.579 4.527 0.001 0.000 0.299 22 F C 2.392 178.071 175.800 -0.201 0.000 1.090 22 F CA 1.096 59.016 58.000 -0.133 0.000 1.307 22 F CB -0.302 38.601 39.000 -0.161 0.000 1.019 22 F HN 0.247 nan 8.300 nan 0.000 0.489 23 A N 1.418 123.947 122.820 -0.485 0.000 1.865 23 A HA -0.165 4.155 4.320 0.001 0.000 0.217 23 A C 2.280 179.458 177.584 -0.676 0.000 1.191 23 A CA 2.043 53.589 52.037 -0.818 0.000 0.623 23 A CB -1.325 17.022 19.000 -1.089 0.000 0.826 23 A HN 0.515 nan 8.150 nan 0.000 0.444 24 L N -0.855 120.177 121.223 -0.320 0.000 1.990 24 L HA -0.267 4.074 4.340 0.001 0.000 0.213 24 L C 2.788 179.601 176.870 -0.095 0.000 1.072 24 L CA 2.165 56.993 54.840 -0.020 0.000 0.755 24 L CB -0.571 41.598 42.059 0.183 0.000 0.889 24 L HN 0.648 nan 8.230 nan 0.000 0.432 25 E N 0.114 120.228 120.200 -0.143 0.000 2.031 25 E HA -0.246 4.104 4.350 0.001 0.000 0.193 25 E C 2.239 178.707 176.600 -0.220 0.000 0.994 25 E CA 1.756 58.076 56.400 -0.134 0.000 0.800 25 E CB 0.002 29.648 29.700 -0.090 0.000 0.752 25 E HN 0.524 nan 8.360 nan 0.000 0.447 26 S N 0.333 115.763 115.700 -0.449 0.000 2.419 26 S HA -0.105 4.366 4.470 0.001 0.000 0.233 26 S C 1.831 176.249 174.600 -0.303 0.000 1.016 26 S CA 0.818 58.737 58.200 -0.468 0.000 0.974 26 S CB -0.285 62.338 63.200 -0.963 0.000 0.786 26 S HN 0.323 nan 8.310 nan 0.000 0.492 27 L N 1.167 122.224 121.223 -0.276 0.000 2.628 27 L HA 0.351 4.692 4.340 0.001 0.000 0.229 27 L C 1.556 178.396 176.870 -0.049 0.000 1.137 27 L CA 0.148 54.906 54.840 -0.137 0.000 0.909 27 L CB -0.594 41.405 42.059 -0.100 0.000 1.137 27 L HN 0.538 nan 8.230 nan 0.000 0.470 28 G N 1.214 109.979 108.800 -0.060 0.000 2.305 28 G HA2 -0.286 3.675 3.960 0.001 0.000 0.287 28 G HA3 -0.286 3.675 3.960 0.001 0.000 0.287 28 G C -0.039 174.874 174.900 0.022 0.000 1.036 28 G CA 0.220 45.309 45.100 -0.018 0.000 0.887 28 G HN 0.284 nan 8.290 nan 0.000 0.505 29 L N -0.497 120.756 121.223 0.050 0.000 2.331 29 L HA 0.591 4.932 4.340 0.001 0.000 0.275 29 L C 0.078 177.006 176.870 0.097 0.000 1.022 29 L CA -1.138 53.764 54.840 0.103 0.000 0.812 29 L CB 1.485 43.670 42.059 0.210 0.000 1.257 29 L HN -0.028 nan 8.230 nan 0.000 0.435 30 E N 1.669 121.916 120.200 0.077 0.000 2.174 30 E HA 0.689 5.040 4.350 0.001 0.000 0.282 30 E C -0.031 176.605 176.600 0.059 0.000 0.992 30 E CA -0.102 56.331 56.400 0.054 0.000 0.803 30 E CB 1.991 31.703 29.700 0.019 0.000 1.090 30 E HN 0.799 nan 8.360 nan 0.000 0.396 31 G N 0.973 109.814 108.800 0.069 0.000 2.317 31 G HA2 0.368 4.329 3.960 0.001 0.000 0.293 31 G HA3 0.368 4.329 3.960 0.001 0.000 0.293 31 G C -1.247 173.716 174.900 0.105 0.000 1.287 31 G CA -0.163 44.966 45.100 0.048 0.000 0.850 31 G HN 0.584 nan 8.290 nan 0.000 0.515 32 S N -1.688 114.077 115.700 0.110 0.000 2.579 32 S HA 0.738 5.208 4.470 0.001 0.000 0.272 32 S C -1.865 172.926 174.600 0.318 0.000 1.141 32 S CA -0.767 57.544 58.200 0.184 0.000 0.843 32 S CB 2.350 65.593 63.200 0.070 0.000 1.122 32 S HN 1.760 nan 8.310 nan 0.000 0.468 33 Y N 1.662 122.104 120.300 0.237 0.000 2.327 33 Y HA 0.493 5.044 4.550 0.001 0.000 0.325 33 Y C -0.523 175.495 175.900 0.196 0.000 0.999 33 Y CA -0.496 57.768 58.100 0.273 0.000 1.195 33 Y CB 1.154 39.804 38.460 0.317 0.000 1.132 33 Y HN 0.991 nan 8.280 nan 0.000 0.455 34 E N 3.919 124.217 120.200 0.162 0.000 2.281 34 E HA 0.878 5.228 4.350 0.001 0.000 0.262 34 E C -1.391 175.299 176.600 0.151 0.000 0.933 34 E CA -1.481 55.016 56.400 0.162 0.000 0.809 34 E CB 2.102 31.837 29.700 0.058 0.000 1.242 34 E HN 0.630 nan 8.360 nan 0.000 0.418 35 A N 2.049 124.972 122.820 0.172 0.000 2.274 35 A HA 0.342 4.663 4.320 0.001 0.000 0.309 35 A C -1.604 176.098 177.584 0.198 0.000 1.226 35 A CA -0.617 51.538 52.037 0.196 0.000 0.853 35 A CB 0.192 19.304 19.000 0.186 0.000 1.146 35 A HN 0.620 nan 8.150 nan 0.000 0.518 36 W N 4.009 125.311 121.300 0.004 0.000 2.391 36 W HA 0.248 4.909 4.660 0.002 0.000 0.312 36 W C -0.603 175.909 176.519 -0.013 0.000 1.003 36 W CA -1.308 56.022 57.345 -0.024 0.000 1.375 36 W CB 0.959 30.361 29.460 -0.097 0.000 1.253 36 W HN 0.786 nan 8.180 nan 0.000 0.416 37 D N 3.488 124.114 120.400 0.377 0.000 2.520 37 D HA -0.018 4.622 4.640 0.001 0.000 0.243 37 D C -0.630 175.695 176.300 0.042 0.000 1.160 37 D CA 1.188 55.310 54.000 0.203 0.000 0.877 37 D CB 0.847 41.758 40.800 0.185 0.000 1.150 37 D HN 0.199 nan 8.370 nan 0.000 0.494 38 T N 5.903 120.432 114.554 -0.040 0.000 3.038 38 T HA 0.328 4.678 4.350 0.001 0.000 0.344 38 T C -2.493 172.122 174.700 -0.142 0.000 1.054 38 T CA -1.090 60.904 62.100 -0.176 0.000 1.092 38 T CB 1.873 70.591 68.868 -0.251 0.000 1.031 38 T HN 0.246 nan 8.240 nan 0.000 0.482 39 P HA 0.184 nan 4.420 nan 0.000 0.272 39 P C 1.070 178.307 177.300 -0.104 0.000 1.230 39 P CA -0.716 62.251 63.100 -0.222 0.000 0.788 39 P CB 0.670 32.169 31.700 -0.336 0.000 0.949 40 L N 2.061 123.264 121.223 -0.034 0.000 2.081 40 L HA -0.222 4.118 4.340 0.001 0.000 0.212 40 L C 2.075 178.917 176.870 -0.046 0.000 1.080 40 L CA 1.909 56.735 54.840 -0.023 0.000 0.754 40 L CB -1.131 40.933 42.059 0.008 0.000 0.893 40 L HN 0.470 nan 8.230 nan 0.000 0.433 41 E N -0.182 119.984 120.200 -0.057 0.000 2.070 41 E HA -0.268 4.083 4.350 0.001 0.000 0.197 41 E C 1.730 178.275 176.600 -0.091 0.000 1.004 41 E CA 1.552 57.916 56.400 -0.061 0.000 0.805 41 E CB -0.148 29.514 29.700 -0.063 0.000 0.744 41 E HN 0.614 nan 8.360 nan 0.000 0.451 42 A N 0.632 123.376 122.820 -0.126 0.000 2.278 42 A HA 0.034 4.355 4.320 0.001 0.000 0.212 42 A C 1.798 179.252 177.584 -0.217 0.000 1.213 42 A CA 0.021 51.955 52.037 -0.173 0.000 0.840 42 A CB -0.231 18.648 19.000 -0.201 0.000 0.866 42 A HN 0.308 nan 8.150 nan 0.000 0.489 43 L N 0.730 121.843 121.223 -0.183 0.000 1.989 43 L HA -0.045 4.296 4.340 0.001 0.000 0.211 43 L C -0.731 175.955 176.870 -0.306 0.000 1.071 43 L CA 2.429 57.142 54.840 -0.212 0.000 0.749 43 L CB -1.243 40.745 42.059 -0.119 0.000 0.890 43 L HN 0.139 nan 8.230 nan 0.000 0.431 44 P HA -0.148 nan 4.420 nan 0.000 0.212 44 P C 1.626 178.754 177.300 -0.287 0.000 1.178 44 P CA 2.076 64.918 63.100 -0.431 0.000 0.915 44 P CB -0.484 31.031 31.700 -0.308 0.000 0.788 45 G N -0.888 107.778 108.800 -0.223 0.000 2.450 45 G HA2 -0.285 3.675 3.960 0.001 0.000 0.220 45 G HA3 -0.285 3.675 3.960 0.001 0.000 0.220 45 G C 1.834 176.592 174.900 -0.236 0.000 1.130 45 G CA 0.788 45.776 45.100 -0.187 0.000 0.760 45 G HN 0.146 nan 8.290 nan 0.000 0.557 46 R N 0.189 120.497 120.500 -0.321 0.000 2.062 46 R HA 0.178 4.519 4.340 0.001 0.000 0.229 46 R C 2.601 178.687 176.300 -0.357 0.000 1.128 46 R CA 0.881 56.710 56.100 -0.451 0.000 0.960 46 R CB -0.750 29.223 30.300 -0.546 0.000 0.855 46 R HN 0.393 nan 8.270 nan 0.000 0.432 47 L N 0.485 121.537 121.223 -0.285 0.000 2.131 47 L HA -0.177 4.164 4.340 0.001 0.000 0.210 47 L C 2.100 178.880 176.870 -0.150 0.000 1.092 47 L CA 1.159 55.873 54.840 -0.209 0.000 0.759 47 L CB -0.412 41.529 42.059 -0.196 0.000 0.903 47 L HN 0.081 nan 8.230 nan 0.000 0.435 48 K N 0.032 120.342 120.400 -0.149 0.000 2.097 48 K HA -0.200 4.120 4.320 0.001 0.000 0.206 48 K C 1.987 178.557 176.600 -0.049 0.000 1.049 48 K CA 1.147 57.380 56.287 -0.090 0.000 0.933 48 K CB -0.210 32.238 32.500 -0.087 0.000 0.717 48 K HN 0.171 nan 8.250 nan 0.000 0.442 49 E N 0.973 121.135 120.200 -0.062 0.000 2.208 49 E HA -0.075 4.275 4.350 0.001 0.000 0.193 49 E C 1.776 178.444 176.600 0.113 0.000 0.988 49 E CA 0.547 56.967 56.400 0.034 0.000 0.828 49 E CB -0.012 29.706 29.700 0.030 0.000 0.763 49 E HN -0.040 nan 8.360 nan 0.000 0.478 50 V N 0.638 120.547 119.914 -0.009 0.000 2.323 50 V HA -0.194 3.926 4.120 0.001 0.000 0.244 50 V C 2.267 178.414 176.094 0.088 0.000 1.041 50 V CA 2.052 64.372 62.300 0.034 0.000 1.025 50 V CB -0.438 31.314 31.823 -0.117 0.000 0.656 50 V HN 0.240 nan 8.190 nan 0.000 0.451 51 R N -0.551 119.962 120.500 0.021 0.000 2.211 51 R HA -0.163 4.178 4.340 0.001 0.000 0.240 51 R C 2.450 178.767 176.300 0.028 0.000 1.144 51 R CA 1.361 57.468 56.100 0.013 0.000 0.992 51 R CB -0.240 30.050 30.300 -0.017 0.000 0.869 51 R HN 0.395 nan 8.270 nan 0.000 0.462 52 R N -0.963 119.567 120.500 0.050 0.000 2.146 52 R HA 0.127 4.468 4.340 0.001 0.000 0.206 52 R C 0.941 177.262 176.300 0.034 0.000 1.049 52 R CA 0.978 57.101 56.100 0.039 0.000 1.029 52 R CB 0.538 30.861 30.300 0.038 0.000 0.949 52 R HN 0.155 nan 8.270 nan 0.000 0.471 53 A N -0.517 122.365 122.820 0.104 0.000 2.585 53 A HA 0.335 4.655 4.320 0.001 0.000 0.266 53 A C -0.645 176.766 177.584 -0.288 0.000 1.178 53 A CA -0.378 51.628 52.037 -0.053 0.000 0.966 53 A CB 0.584 19.547 19.000 -0.062 0.000 1.170 53 A HN 0.087 nan 8.150 nan 0.000 0.558 54 F N -1.144 118.735 119.950 -0.119 0.000 2.551 54 F HA 0.576 5.104 4.527 0.000 0.000 0.316 54 F C 1.007 176.665 175.800 -0.235 0.000 1.089 54 F CA -1.036 56.839 58.000 -0.207 0.000 0.915 54 F CB 2.008 40.906 39.000 -0.171 0.000 1.186 54 F HN 0.043 nan 8.300 nan 0.000 0.456 55 R N 1.443 121.790 120.500 -0.254 0.000 2.115 55 R HA 0.368 4.708 4.340 0.001 0.000 0.226 55 R C 0.233 176.432 176.300 -0.167 0.000 1.100 55 R CA 1.147 57.111 56.100 -0.226 0.000 0.980 55 R CB -0.191 29.867 30.300 -0.403 0.000 0.875 55 R HN 0.857 nan 8.270 nan 0.000 0.445 56 G N -1.508 107.093 108.800 -0.332 0.000 2.547 56 G HA2 0.471 4.431 3.960 0.001 0.000 0.291 56 G HA3 0.471 4.431 3.960 0.001 0.000 0.291 56 G C -1.706 172.902 174.900 -0.487 0.000 1.471 56 G CA -0.219 44.563 45.100 -0.530 0.000 0.798 56 G HN 0.492 nan 8.290 nan 0.000 0.504 57 V N -2.239 117.615 119.914 -0.100 0.000 3.147 57 V HA 0.758 4.879 4.120 0.001 0.000 0.306 57 V C -0.749 175.576 176.094 0.386 0.000 1.209 57 V CA -1.498 60.798 62.300 -0.007 0.000 1.023 57 V CB 1.628 33.385 31.823 -0.109 0.000 1.059 57 V HN 0.783 nan 8.190 nan 0.000 0.435 58 N N 1.368 120.275 118.700 0.346 0.000 2.456 58 N HA 0.783 5.524 4.740 0.001 0.000 0.296 58 N C -1.210 174.439 175.510 0.231 0.000 1.102 58 N CA -0.714 52.571 53.050 0.391 0.000 0.924 58 N CB 1.739 40.510 38.487 0.474 0.000 1.186 58 N HN 0.677 nan 8.380 nan 0.000 0.492 59 L N 1.028 122.373 121.223 0.203 0.000 2.341 59 L HA 0.536 4.876 4.340 0.001 0.000 0.278 59 L C 0.111 177.065 176.870 0.139 0.000 1.005 59 L CA -0.472 54.451 54.840 0.137 0.000 0.818 59 L CB 1.946 44.071 42.059 0.111 0.000 1.259 59 L HN 0.499 nan 8.230 nan 0.000 0.418 60 T N 2.309 116.936 114.554 0.122 0.000 2.888 60 T HA 0.575 4.926 4.350 0.001 0.000 0.288 60 T C -0.193 174.562 174.700 0.092 0.000 1.063 60 T CA -0.584 61.587 62.100 0.120 0.000 1.010 60 T CB 1.111 70.065 68.868 0.144 0.000 1.214 60 T HN 0.329 nan 8.240 nan 0.000 0.533 61 L N 3.314 124.585 121.223 0.079 0.000 2.529 61 L HA 0.210 4.550 4.340 0.001 0.000 0.287 61 L C -1.422 175.495 176.870 0.079 0.000 1.241 61 L CA -0.846 54.031 54.840 0.062 0.000 0.857 61 L CB 0.332 42.417 42.059 0.043 0.000 1.113 61 L HN 0.569 nan 8.230 nan 0.000 0.504 62 P HA 0.184 nan 4.420 nan 0.000 0.250 62 P C 0.392 177.717 177.300 0.042 0.000 1.808 62 P CA -0.001 63.131 63.100 0.053 0.000 1.117 62 P CB 0.224 31.958 31.700 0.056 0.000 1.602 63 L N -0.974 120.275 121.223 0.043 0.000 2.640 63 L HA 0.250 4.591 4.340 0.001 0.000 0.230 63 L C 1.978 178.871 176.870 0.038 0.000 1.123 63 L CA 0.043 54.902 54.840 0.032 0.000 0.900 63 L CB -0.297 41.772 42.059 0.016 0.000 1.146 63 L HN -0.093 nan 8.230 nan 0.000 0.484 64 K N 0.691 121.116 120.400 0.042 0.000 2.280 64 K HA -0.153 4.167 4.320 0.001 0.000 0.202 64 K C 1.405 178.019 176.600 0.023 0.000 1.047 64 K CA 1.207 57.519 56.287 0.042 0.000 0.942 64 K CB 0.164 32.691 32.500 0.045 0.000 0.739 64 K HN 0.285 nan 8.250 nan 0.000 0.457 65 E N 0.296 120.504 120.200 0.013 0.000 2.110 65 E HA 0.066 4.417 4.350 0.001 0.000 0.193 65 E C 1.560 178.154 176.600 -0.010 0.000 0.950 65 E CA 0.731 57.129 56.400 -0.004 0.000 0.840 65 E CB -0.117 29.578 29.700 -0.009 0.000 0.809 65 E HN 0.206 nan 8.360 nan 0.000 0.465 66 A N 0.752 123.574 122.820 0.004 0.000 2.264 66 A HA 0.164 4.485 4.320 0.001 0.000 0.207 66 A C 1.939 179.550 177.584 0.046 0.000 1.196 66 A CA 1.216 53.256 52.037 0.005 0.000 0.778 66 A CB -0.665 18.354 19.000 0.031 0.000 0.779 66 A HN 0.224 nan 8.150 nan 0.000 0.483 67 A N -0.529 122.318 122.820 0.045 0.000 1.911 67 A HA 0.215 4.536 4.320 0.001 0.000 0.212 67 A C 1.807 179.410 177.584 0.031 0.000 1.189 67 A CA 0.944 53.029 52.037 0.081 0.000 0.639 67 A CB -0.406 18.631 19.000 0.061 0.000 0.839 67 A HN 0.382 nan 8.150 nan 0.000 0.449 68 L N 0.269 121.477 121.223 -0.025 0.000 2.021 68 L HA -0.278 4.063 4.340 0.001 0.000 0.215 68 L C 2.945 179.757 176.870 -0.096 0.000 1.074 68 L CA 2.157 56.957 54.840 -0.066 0.000 0.760 68 L CB -0.801 41.204 42.059 -0.090 0.000 0.889 68 L HN 0.390 nan 8.230 nan 0.000 0.433 69 A N -1.793 120.932 122.820 -0.158 0.000 2.019 69 A HA -0.210 4.110 4.320 0.001 0.000 0.219 69 A C 2.033 179.477 177.584 -0.233 0.000 1.164 69 A CA 1.536 53.437 52.037 -0.227 0.000 0.644 69 A CB -0.731 18.077 19.000 -0.321 0.000 0.805 69 A HN 0.556 nan 8.150 nan 0.000 0.449 70 H N -0.861 118.182 119.070 -0.045 0.000 2.548 70 H HA 0.267 4.823 4.556 0.000 0.000 0.265 70 H C 0.316 175.615 175.328 -0.047 0.000 0.969 70 H CA 0.177 56.198 56.048 -0.046 0.000 1.155 70 H CB -0.111 29.622 29.762 -0.049 0.000 1.394 70 H HN 0.361 nan 8.280 nan 0.000 0.570 71 L N 0.789 122.041 121.223 0.049 0.000 2.379 71 L HA 0.117 4.457 4.340 0.001 0.000 0.269 71 L C 1.219 178.083 176.870 -0.010 0.000 1.084 71 L CA -0.487 54.360 54.840 0.012 0.000 0.802 71 L CB 1.104 43.174 42.059 0.018 0.000 1.175 71 L HN -0.054 nan 8.230 nan 0.000 0.448 72 D N 0.388 120.759 120.400 -0.049 0.000 2.277 72 D HA -0.056 4.584 4.640 0.001 0.000 0.208 72 D C -0.328 176.055 176.300 0.138 0.000 0.962 72 D CA 1.231 55.213 54.000 -0.030 0.000 0.865 72 D CB 0.391 41.088 40.800 -0.173 0.000 0.939 72 D HN 0.478 nan 8.370 nan 0.000 0.510 73 W N 0.396 121.660 121.300 -0.060 0.000 3.624 73 W HA 0.328 4.987 4.660 -0.001 0.000 0.312 73 W C -2.024 174.491 176.519 -0.007 0.000 1.203 73 W CA -0.576 56.805 57.345 0.060 0.000 1.225 73 W CB 1.008 30.671 29.460 0.338 0.000 1.321 73 W HN -0.468 nan 8.180 nan 0.000 0.506 74 V N 5.212 124.699 119.914 -0.712 0.000 2.540 74 V HA 0.422 4.543 4.120 0.001 0.000 0.302 74 V C 0.411 175.668 176.094 -1.395 0.000 1.035 74 V CA -0.757 61.094 62.300 -0.747 0.000 0.873 74 V CB 1.454 33.021 31.823 -0.426 0.000 0.992 74 V HN 0.601 nan 8.190 nan 0.000 0.428 75 S N 5.217 120.204 115.700 -1.189 0.000 2.569 75 S HA 0.193 4.663 4.470 0.001 0.000 0.274 75 S C -1.693 172.588 174.600 -0.531 0.000 1.353 75 S CA -0.364 57.294 58.200 -0.903 0.000 1.023 75 S CB 0.882 63.925 63.200 -0.262 0.000 0.876 75 S HN 0.545 nan 8.310 nan 0.000 0.540 76 P HA -0.071 nan 4.420 nan 0.000 0.213 76 P C 1.266 178.450 177.300 -0.193 0.000 1.170 76 P CA 1.371 64.359 63.100 -0.186 0.000 0.898 76 P CB -0.059 31.614 31.700 -0.045 0.000 0.787 77 E N -0.092 120.015 120.200 -0.156 0.000 2.049 77 E HA -0.203 4.147 4.350 0.001 0.000 0.198 77 E C 2.145 178.457 176.600 -0.481 0.000 1.007 77 E CA 1.834 57.998 56.400 -0.393 0.000 0.809 77 E CB -1.193 28.389 29.700 -0.196 0.000 0.749 77 E HN 0.144 nan 8.360 nan 0.000 0.450 78 A N 0.465 123.116 122.820 -0.281 0.000 2.019 78 A HA -0.255 4.066 4.320 0.001 0.000 0.219 78 A C 2.067 179.514 177.584 -0.228 0.000 1.164 78 A CA 1.508 53.411 52.037 -0.224 0.000 0.644 78 A CB -0.368 18.536 19.000 -0.159 0.000 0.805 78 A HN 0.211 nan 8.150 nan 0.000 0.449 79 Q N -1.080 118.566 119.800 -0.258 0.000 2.049 79 Q HA -0.146 4.195 4.340 0.001 0.000 0.198 79 Q C 2.391 178.294 176.000 -0.163 0.000 0.971 79 Q CA 1.611 57.288 55.803 -0.210 0.000 0.833 79 Q CB -0.106 28.496 28.738 -0.225 0.000 0.896 79 Q HN 0.714 nan 8.270 nan 0.000 0.434 80 R N 0.405 120.776 120.500 -0.214 0.000 2.075 80 R HA -0.080 4.261 4.340 0.001 0.000 0.232 80 R C 1.995 178.231 176.300 -0.108 0.000 1.126 80 R CA 1.172 57.159 56.100 -0.188 0.000 0.963 80 R CB -0.167 29.985 30.300 -0.247 0.000 0.858 80 R HN 0.220 nan 8.270 nan 0.000 0.435 81 I N -0.049 120.367 120.570 -0.256 0.000 2.394 81 I HA -0.040 4.130 4.170 0.001 0.000 0.251 81 I C 1.346 177.481 176.117 0.031 0.000 1.136 81 I CA 1.292 62.568 61.300 -0.039 0.000 1.425 81 I CB -0.163 37.715 38.000 -0.204 0.000 1.079 81 I HN 0.654 nan 8.210 nan 0.000 0.425 82 G N 1.101 109.874 108.800 -0.045 0.000 2.136 82 G HA2 -0.120 3.840 3.960 0.001 0.000 0.242 82 G HA3 -0.120 3.840 3.960 0.001 0.000 0.242 82 G C 0.098 174.978 174.900 -0.033 0.000 0.989 82 G CA 0.057 45.139 45.100 -0.031 0.000 0.682 82 G HN 0.731 nan 8.290 nan 0.000 0.522 83 A N -1.218 121.577 122.820 -0.042 0.000 2.549 83 A HA 0.871 5.192 4.320 0.001 0.000 0.297 83 A C -0.801 176.777 177.584 -0.010 0.000 1.061 83 A CA -0.237 51.790 52.037 -0.017 0.000 0.690 83 A CB 2.361 21.362 19.000 0.001 0.000 1.287 83 A HN 1.293 nan 8.150 nan 0.000 0.402 84 V N 3.103 123.031 119.914 0.023 0.000 2.531 84 V HA 0.358 4.478 4.120 0.001 0.000 0.301 84 V C 0.304 176.461 176.094 0.105 0.000 1.034 84 V CA -0.310 62.028 62.300 0.063 0.000 0.865 84 V CB 1.738 33.598 31.823 0.062 0.000 0.995 84 V HN 1.048 nan 8.190 nan 0.000 0.424 85 N N 2.018 120.802 118.700 0.140 0.000 2.227 85 N HA 0.064 4.804 4.740 0.001 0.000 0.196 85 N C 0.098 175.742 175.510 0.224 0.000 1.142 85 N CA -0.088 53.061 53.050 0.164 0.000 0.887 85 N CB 1.241 39.817 38.487 0.148 0.000 1.022 85 N HN 0.528 nan 8.380 nan 0.000 0.500 86 T N 1.054 115.766 114.554 0.263 0.000 2.881 86 T HA 0.473 4.824 4.350 0.001 0.000 0.291 86 T C -1.011 173.979 174.700 0.483 0.000 0.990 86 T CA -0.484 61.826 62.100 0.351 0.000 0.976 86 T CB 2.442 71.420 68.868 0.183 0.000 0.970 86 T HN -0.128 nan 8.240 nan 0.000 0.438 87 V N 4.240 124.477 119.914 0.538 0.000 2.495 87 V HA 0.625 4.746 4.120 0.001 0.000 0.298 87 V C -0.602 175.873 176.094 0.635 0.000 1.031 87 V CA -0.913 61.691 62.300 0.507 0.000 0.871 87 V CB 1.736 33.732 31.823 0.288 0.000 0.988 87 V HN 0.730 nan 8.190 nan 0.000 0.432 88 L N 4.203 125.818 121.223 0.653 0.000 2.322 88 L HA 0.625 4.966 4.340 0.001 0.000 0.281 88 L C -0.468 176.667 176.870 0.442 0.000 1.014 88 L CA 0.109 55.318 54.840 0.614 0.000 0.815 88 L CB 1.682 44.147 42.059 0.676 0.000 1.247 88 L HN 0.713 nan 8.230 nan 0.000 0.421 89 Q N 4.521 124.491 119.800 0.284 0.000 2.333 89 Q HA 0.574 4.914 4.340 0.001 0.000 0.265 89 Q C -2.090 174.019 176.000 0.182 0.000 0.989 89 Q CA -0.473 55.437 55.803 0.178 0.000 0.842 89 Q CB 1.780 30.574 28.738 0.092 0.000 1.262 89 Q HN 0.626 nan 8.270 nan 0.000 0.451 90 V N 4.309 124.343 119.914 0.200 0.000 2.668 90 V HA 0.201 4.322 4.120 0.001 0.000 0.304 90 V C -0.059 176.112 176.094 0.130 0.000 1.071 90 V CA -0.557 61.858 62.300 0.192 0.000 0.894 90 V CB 1.708 33.717 31.823 0.308 0.000 1.008 90 V HN 1.013 nan 8.190 nan 0.000 0.425 91 E N 3.322 123.569 120.200 0.077 0.000 2.440 91 E HA -0.294 4.057 4.350 0.001 0.000 0.246 91 E C 1.273 177.887 176.600 0.024 0.000 1.165 91 E CA 0.816 57.245 56.400 0.048 0.000 0.726 91 E CB -1.003 28.733 29.700 0.060 0.000 1.271 91 E HN 1.589 nan 8.360 nan 0.000 0.397 92 G N -0.537 108.272 108.800 0.015 0.000 2.184 92 G HA2 -0.359 3.602 3.960 0.001 0.000 0.264 92 G HA3 -0.359 3.602 3.960 0.001 0.000 0.264 92 G C 0.219 175.093 174.900 -0.042 0.000 0.975 92 G CA 0.655 45.751 45.100 -0.007 0.000 0.642 92 G HN 0.174 nan 8.290 nan 0.000 0.536 93 R N -0.138 120.320 120.500 -0.071 0.000 2.500 93 R HA 0.720 5.061 4.340 0.001 0.000 0.277 93 R C 0.255 176.366 176.300 -0.314 0.000 1.026 93 R CA -0.643 55.324 56.100 -0.223 0.000 1.058 93 R CB 0.821 30.931 30.300 -0.316 0.000 1.078 93 R HN 0.300 nan 8.270 nan 0.000 0.509 94 L N 2.813 123.802 121.223 -0.390 0.000 2.341 94 L HA 0.527 4.868 4.340 0.001 0.000 0.278 94 L C -0.782 175.868 176.870 -0.368 0.000 1.005 94 L CA -0.644 54.052 54.840 -0.240 0.000 0.818 94 L CB 0.955 42.973 42.059 -0.068 0.000 1.259 94 L HN 0.326 nan 8.230 nan 0.000 0.418 95 F N 0.508 120.609 119.950 0.252 0.000 2.520 95 F HA 0.669 5.197 4.527 0.001 0.000 0.322 95 F C 0.718 176.677 175.800 0.265 0.000 1.103 95 F CA -0.753 57.425 58.000 0.297 0.000 0.926 95 F CB 2.129 41.354 39.000 0.374 0.000 1.154 95 F HN 0.364 nan 8.300 nan 0.000 0.453 96 G N 2.308 111.225 108.800 0.194 0.000 2.415 96 G HA2 0.693 4.653 3.960 0.001 0.000 0.327 96 G HA3 0.693 4.653 3.960 0.001 0.000 0.327 96 G C -1.635 173.135 174.900 -0.217 0.000 1.182 96 G CA -0.345 44.814 45.100 0.099 0.000 0.924 96 G HN 0.360 nan 8.290 nan 0.000 0.470 97 F N -0.025 120.039 119.950 0.190 0.000 2.675 97 F HA 0.525 5.052 4.527 0.002 0.000 0.324 97 F C -0.078 175.766 175.800 0.073 0.000 1.106 97 F CA -1.382 56.699 58.000 0.134 0.000 0.970 97 F CB 2.317 41.410 39.000 0.154 0.000 1.385 97 F HN 0.334 nan 8.300 nan 0.000 0.489 98 N N 0.219 119.070 118.700 0.252 0.000 2.573 98 N HA 0.154 4.894 4.740 0.001 0.000 0.262 98 N C 0.078 175.672 175.510 0.140 0.000 1.029 98 N CA -0.015 53.118 53.050 0.138 0.000 0.882 98 N CB 1.542 40.048 38.487 0.031 0.000 1.204 98 N HN 0.780 nan 8.380 nan 0.000 0.519 99 T N -0.783 113.847 114.554 0.128 0.000 3.129 99 T HA 0.068 4.419 4.350 0.001 0.000 0.251 99 T C 0.833 175.613 174.700 0.133 0.000 1.117 99 T CA 0.396 62.560 62.100 0.107 0.000 1.034 99 T CB 0.326 69.225 68.868 0.051 0.000 0.968 99 T HN 0.227 nan 8.240 nan 0.000 0.526 100 D N 2.111 122.591 120.400 0.134 0.000 2.097 100 D HA 0.033 4.674 4.640 0.001 0.000 0.197 100 D C 2.457 178.868 176.300 0.186 0.000 0.984 100 D CA 1.423 55.515 54.000 0.154 0.000 0.826 100 D CB -0.462 40.410 40.800 0.120 0.000 0.973 100 D HN 0.535 nan 8.370 nan 0.000 0.460 101 A N 2.083 125.002 122.820 0.164 0.000 1.851 101 A HA -0.147 4.174 4.320 0.001 0.000 0.216 101 A C -0.136 177.590 177.584 0.235 0.000 1.195 101 A CA 2.121 54.289 52.037 0.218 0.000 0.622 101 A CB -1.721 17.421 19.000 0.237 0.000 0.831 101 A HN 0.234 nan 8.150 nan 0.000 0.444 102 P HA -0.061 nan 4.420 nan 0.000 0.221 102 P C 1.664 179.020 177.300 0.094 0.000 1.150 102 P CA 1.695 64.871 63.100 0.126 0.000 0.800 102 P CB -0.431 31.336 31.700 0.112 0.000 0.787 103 G N -0.231 108.661 108.800 0.153 0.000 2.402 103 G HA2 -0.273 3.688 3.960 0.001 0.000 0.216 103 G HA3 -0.273 3.688 3.960 0.001 0.000 0.216 103 G C 1.380 176.352 174.900 0.119 0.000 1.162 103 G CA 0.265 45.473 45.100 0.179 0.000 0.777 103 G HN 0.174 nan 8.290 nan 0.000 0.539 104 F N 1.350 121.321 119.950 0.034 0.000 2.069 104 F HA -0.020 4.507 4.527 0.001 0.000 0.298 104 F C 2.452 178.214 175.800 -0.064 0.000 1.113 104 F CA 1.303 59.310 58.000 0.012 0.000 1.214 104 F CB -0.338 38.691 39.000 0.047 0.000 0.978 104 F HN 0.046 nan 8.300 nan 0.000 0.474 105 L N 0.025 121.197 121.223 -0.085 0.000 2.012 105 L HA -0.209 4.132 4.340 0.001 0.000 0.210 105 L C 2.526 179.162 176.870 -0.391 0.000 1.073 105 L CA 1.441 56.142 54.840 -0.233 0.000 0.748 105 L CB -0.814 41.210 42.059 -0.058 0.000 0.891 105 L HN 0.120 nan 8.230 nan 0.000 0.431 106 E N 0.138 120.058 120.200 -0.466 0.000 2.150 106 E HA -0.165 4.185 4.350 0.001 0.000 0.193 106 E C 2.233 178.137 176.600 -1.160 0.000 0.985 106 E CA 1.237 57.115 56.400 -0.871 0.000 0.814 106 E CB -0.188 28.826 29.700 -1.143 0.000 0.752 106 E HN 0.482 nan 8.360 nan 0.000 0.466 107 A N 1.204 123.505 122.820 -0.865 0.000 1.873 107 A HA -0.099 4.221 4.320 0.001 0.000 0.215 107 A C 2.381 179.737 177.584 -0.380 0.000 1.186 107 A CA 0.849 52.565 52.037 -0.535 0.000 0.616 107 A CB -0.652 18.241 19.000 -0.178 0.000 0.823 107 A HN 0.159 nan 8.150 nan 0.000 0.442 108 L N -0.459 120.489 121.223 -0.459 0.000 1.989 108 L HA -0.248 4.092 4.340 0.001 0.000 0.211 108 L C 2.687 179.400 176.870 -0.261 0.000 1.071 108 L CA 2.164 56.788 54.840 -0.360 0.000 0.749 108 L CB -0.517 41.277 42.059 -0.441 0.000 0.890 108 L HN 0.510 nan 8.230 nan 0.000 0.431 109 K N 0.375 120.596 120.400 -0.299 0.000 2.020 109 K HA -0.252 4.069 4.320 0.001 0.000 0.212 109 K C 2.012 178.506 176.600 -0.176 0.000 1.050 109 K CA 1.840 57.990 56.287 -0.227 0.000 0.929 109 K CB -0.200 32.144 32.500 -0.261 0.000 0.714 109 K HN 0.292 nan 8.250 nan 0.000 0.443 110 A N 0.140 122.829 122.820 -0.220 0.000 2.070 110 A HA -0.026 4.295 4.320 0.001 0.000 0.220 110 A C 2.100 179.680 177.584 -0.007 0.000 1.159 110 A CA 1.635 53.637 52.037 -0.057 0.000 0.656 110 A CB -0.579 18.474 19.000 0.088 0.000 0.800 110 A HN 0.592 nan 8.150 nan 0.000 0.453 111 G N -2.595 106.173 108.800 -0.052 0.000 2.838 111 G HA2 0.373 4.333 3.960 0.001 0.000 0.210 111 G HA3 0.373 4.333 3.960 0.001 0.000 0.210 111 G C 1.130 176.014 174.900 -0.027 0.000 1.153 111 G CA 0.753 45.840 45.100 -0.022 0.000 0.778 111 G HN 1.529 nan 8.290 nan 0.000 0.539 112 G N 0.407 109.178 108.800 -0.048 0.000 2.397 112 G HA2 -0.247 3.714 3.960 0.001 0.000 0.211 112 G HA3 -0.247 3.714 3.960 0.001 0.000 0.211 112 G C 0.543 175.413 174.900 -0.050 0.000 1.077 112 G CA -0.182 44.895 45.100 -0.038 0.000 0.649 112 G HN 0.456 nan 8.290 nan 0.000 0.511 113 I N 4.687 125.223 120.570 -0.057 0.000 3.085 113 I HA 0.063 4.234 4.170 0.001 0.000 0.302 113 I C -1.427 174.647 176.117 -0.073 0.000 1.234 113 I CA -0.387 60.878 61.300 -0.058 0.000 1.396 113 I CB 0.171 38.127 38.000 -0.073 0.000 1.385 113 I HN 0.133 nan 8.210 nan 0.000 0.533 114 P HA 0.123 nan 4.420 nan 0.000 0.278 114 P C 0.141 177.407 177.300 -0.057 0.000 1.238 114 P CA -0.393 62.675 63.100 -0.055 0.000 0.794 114 P CB 0.877 32.554 31.700 -0.039 0.000 0.955 115 L N 1.429 122.615 121.223 -0.062 0.000 2.801 115 L HA 0.057 4.397 4.340 0.001 0.000 0.250 115 L C 0.895 177.736 176.870 -0.048 0.000 1.222 115 L CA 0.243 55.050 54.840 -0.055 0.000 1.054 115 L CB -1.009 41.015 42.059 -0.057 0.000 1.330 115 L HN 0.217 nan 8.230 nan 0.000 0.426 116 K N 1.305 121.678 120.400 -0.046 0.000 2.382 116 K HA 0.169 4.490 4.320 0.001 0.000 0.286 116 K C 0.851 177.412 176.600 -0.065 0.000 1.062 116 K CA -0.244 56.014 56.287 -0.048 0.000 1.000 116 K CB 0.757 33.234 32.500 -0.037 0.000 0.954 116 K HN 0.256 nan 8.250 nan 0.000 0.470 117 G N 3.954 112.700 108.800 -0.090 0.000 2.535 117 G HA2 0.281 4.242 3.960 0.001 0.000 0.282 117 G HA3 0.281 4.242 3.960 0.001 0.000 0.282 117 G C -2.395 172.402 174.900 -0.171 0.000 1.350 117 G CA -1.107 43.902 45.100 -0.152 0.000 1.039 117 G HN 0.320 nan 8.290 nan 0.000 0.509 118 P HA 0.432 nan 4.420 nan 0.000 0.271 118 P C -0.699 176.306 177.300 -0.492 0.000 1.218 118 P CA -0.055 62.695 63.100 -0.583 0.000 0.780 118 P CB 1.311 32.335 31.700 -1.127 0.000 0.901 119 A N 2.689 125.241 122.820 -0.448 0.000 2.342 119 A HA 0.649 4.970 4.320 0.001 0.000 0.323 119 A C -1.313 176.175 177.584 -0.160 0.000 1.125 119 A CA -0.602 51.309 52.037 -0.210 0.000 0.785 119 A CB 0.624 19.578 19.000 -0.076 0.000 1.221 119 A HN 0.533 nan 8.150 nan 0.000 0.463 120 L N 3.340 124.564 121.223 0.001 0.000 2.333 120 L HA 0.667 5.008 4.340 0.001 0.000 0.280 120 L C -1.011 175.933 176.870 0.123 0.000 1.004 120 L CA -0.321 54.600 54.840 0.136 0.000 0.820 120 L CB 1.720 43.920 42.059 0.235 0.000 1.247 120 L HN 0.382 nan 8.230 nan 0.000 0.416 121 V N 6.695 126.686 119.914 0.129 0.000 2.350 121 V HA 0.353 4.474 4.120 0.001 0.000 0.276 121 V C 0.131 176.308 176.094 0.139 0.000 1.028 121 V CA -0.502 61.850 62.300 0.088 0.000 0.860 121 V CB 1.269 33.115 31.823 0.039 0.000 0.990 121 V HN 0.595 nan 8.190 nan 0.000 0.453 122 L N 5.414 126.707 121.223 0.117 0.000 2.261 122 L HA 0.752 5.093 4.340 0.001 0.000 0.289 122 L C 0.737 177.711 176.870 0.173 0.000 1.059 122 L CA 0.032 55.023 54.840 0.253 0.000 0.816 122 L CB 0.669 42.783 42.059 0.091 0.000 1.191 122 L HN 0.913 nan 8.230 nan 0.000 0.431 123 G N 2.475 111.367 108.800 0.153 0.000 3.326 123 G HA2 0.139 4.099 3.960 0.001 0.000 0.681 123 G HA3 0.139 4.099 3.960 0.001 0.000 0.681 123 G C -0.216 174.647 174.900 -0.061 0.000 1.255 123 G CA -0.329 44.768 45.100 -0.006 0.000 0.976 123 G HN 0.771 nan 8.290 nan 0.000 0.563 124 A N 1.414 124.161 122.820 -0.122 0.000 2.500 124 A HA 0.756 5.077 4.320 0.001 0.000 0.267 124 A C 1.520 179.024 177.584 -0.135 0.000 1.290 124 A CA 1.289 53.242 52.037 -0.139 0.000 0.928 124 A CB -0.083 18.814 19.000 -0.172 0.000 1.066 124 A HN 2.067 nan 8.150 nan 0.000 0.516 125 G N -1.119 107.618 108.800 -0.106 0.000 2.508 125 G HA2 0.396 4.356 3.960 0.001 0.000 0.278 125 G HA3 0.396 4.356 3.960 0.001 0.000 0.278 125 G C 1.184 176.039 174.900 -0.075 0.000 1.389 125 G CA 0.107 45.154 45.100 -0.088 0.000 1.050 125 G HN 0.447 nan 8.290 nan 0.000 0.522 126 G N -0.027 108.741 108.800 -0.052 0.000 2.529 126 G HA2 -0.068 3.893 3.960 0.001 0.000 0.219 126 G HA3 -0.068 3.893 3.960 0.001 0.000 0.219 126 G C 2.029 176.912 174.900 -0.028 0.000 1.177 126 G CA 2.164 47.244 45.100 -0.033 0.000 0.773 126 G HN 0.981 nan 8.290 nan 0.000 0.573 127 A N 0.755 123.556 122.820 -0.031 0.000 1.883 127 A HA 0.129 4.450 4.320 0.001 0.000 0.217 127 A C 2.758 180.303 177.584 -0.064 0.000 1.186 127 A CA 2.254 54.269 52.037 -0.036 0.000 0.624 127 A CB -1.167 17.812 19.000 -0.035 0.000 0.822 127 A HN 0.652 nan 8.150 nan 0.000 0.444 128 G N -0.648 108.112 108.800 -0.068 0.000 2.422 128 G HA2 -0.216 3.745 3.960 0.001 0.000 0.218 128 G HA3 -0.216 3.745 3.960 0.001 0.000 0.218 128 G C 1.746 176.610 174.900 -0.059 0.000 1.146 128 G CA 0.891 45.946 45.100 -0.075 0.000 0.769 128 G HN 0.592 nan 8.290 nan 0.000 0.547 129 R N 0.619 121.084 120.500 -0.058 0.000 2.080 129 R HA -0.014 4.327 4.340 0.001 0.000 0.236 129 R C 3.063 179.465 176.300 0.170 0.000 1.137 129 R CA 1.290 57.380 56.100 -0.016 0.000 0.943 129 R CB -0.544 29.727 30.300 -0.048 0.000 0.846 129 R HN 0.325 nan 8.270 nan 0.000 0.431 130 A N 0.805 123.678 122.820 0.088 0.000 1.892 130 A HA -0.154 4.166 4.320 0.001 0.000 0.218 130 A C 2.418 180.060 177.584 0.097 0.000 1.188 130 A CA 1.752 53.847 52.037 0.097 0.000 0.631 130 A CB -0.665 18.354 19.000 0.032 0.000 0.822 130 A HN 0.145 nan 8.150 nan 0.000 0.447 131 V N -0.395 119.475 119.914 -0.073 0.000 2.358 131 V HA -0.189 3.932 4.120 0.001 0.000 0.246 131 V C 3.049 179.115 176.094 -0.047 0.000 1.047 131 V CA 1.814 63.948 62.300 -0.275 0.000 1.035 131 V CB -1.186 30.296 31.823 -0.569 0.000 0.658 131 V HN 0.633 nan 8.190 nan 0.000 0.452 132 A N -0.322 122.532 122.820 0.057 0.000 1.877 132 A HA -0.256 4.065 4.320 0.001 0.000 0.216 132 A C 2.122 179.856 177.584 0.251 0.000 1.186 132 A CA 2.103 54.224 52.037 0.140 0.000 0.620 132 A CB -0.773 18.311 19.000 0.139 0.000 0.822 132 A HN 0.516 nan 8.150 nan 0.000 0.443 133 F N 1.023 121.122 119.950 0.249 0.000 2.065 133 F HA -0.172 4.355 4.527 0.001 0.000 0.298 133 F C 2.575 178.415 175.800 0.066 0.000 1.112 133 F CA 1.693 59.787 58.000 0.158 0.000 1.212 133 F CB -0.505 38.562 39.000 0.113 0.000 0.975 133 F HN 0.253 nan 8.300 nan 0.000 0.476 134 A N 0.458 123.460 122.820 0.302 0.000 1.940 134 A HA -0.172 4.149 4.320 0.001 0.000 0.219 134 A C 2.289 179.925 177.584 0.086 0.000 1.176 134 A CA 1.902 54.064 52.037 0.209 0.000 0.631 134 A CB -1.241 17.939 19.000 0.300 0.000 0.814 134 A HN 0.538 nan 8.150 nan 0.000 0.446 135 L N -0.581 120.700 121.223 0.097 0.000 2.141 135 L HA -0.210 4.131 4.340 0.001 0.000 0.209 135 L C 2.879 179.740 176.870 -0.015 0.000 1.094 135 L CA 1.699 56.582 54.840 0.071 0.000 0.763 135 L CB -0.417 41.698 42.059 0.093 0.000 0.908 135 L HN 0.591 nan 8.230 nan 0.000 0.437 136 R N -0.459 120.001 120.500 -0.067 0.000 2.062 136 R HA -0.071 4.270 4.340 0.001 0.000 0.226 136 R C 1.859 178.079 176.300 -0.133 0.000 1.125 136 R CA 0.773 56.814 56.100 -0.098 0.000 0.966 136 R CB -0.648 29.584 30.300 -0.112 0.000 0.861 136 R HN 0.166 nan 8.270 nan 0.000 0.433 137 E N 1.398 121.466 120.200 -0.220 0.000 2.219 137 E HA -0.208 4.143 4.350 0.001 0.000 0.198 137 E C 2.017 178.557 176.600 -0.100 0.000 0.998 137 E CA 1.560 57.840 56.400 -0.199 0.000 0.818 137 E CB -0.182 29.358 29.700 -0.268 0.000 0.741 137 E HN 0.572 nan 8.360 nan 0.000 0.477 138 A N 0.215 122.992 122.820 -0.071 0.000 2.067 138 A HA 0.111 4.432 4.320 0.001 0.000 0.219 138 A C 1.703 179.259 177.584 -0.047 0.000 1.158 138 A CA 1.362 53.373 52.037 -0.043 0.000 0.661 138 A CB -0.174 18.814 19.000 -0.021 0.000 0.801 138 A HN 0.325 nan 8.150 nan 0.000 0.452 139 G N -1.451 107.317 108.800 -0.055 0.000 2.215 139 G HA2 0.087 4.048 3.960 0.001 0.000 0.198 139 G HA3 0.087 4.048 3.960 0.001 0.000 0.198 139 G C -0.351 174.520 174.900 -0.048 0.000 1.047 139 G CA 0.110 45.180 45.100 -0.049 0.000 0.747 139 G HN 1.428 nan 8.290 nan 0.000 0.495 140 L N -3.042 118.148 121.223 -0.055 0.000 2.359 140 L HA 0.927 5.267 4.340 0.001 0.000 0.256 140 L C -0.093 176.725 176.870 -0.086 0.000 1.026 140 L CA -2.038 52.761 54.840 -0.069 0.000 0.828 140 L CB 1.028 43.044 42.059 -0.072 0.000 1.406 140 L HN 0.179 nan 8.230 nan 0.000 0.413 141 E N 0.491 120.617 120.200 -0.123 0.000 2.344 141 E HA 0.512 4.862 4.350 0.001 0.000 0.270 141 E C -1.398 175.042 176.600 -0.266 0.000 1.021 141 E CA -0.389 55.916 56.400 -0.157 0.000 0.887 141 E CB 1.027 30.625 29.700 -0.170 0.000 0.997 141 E HN 0.570 nan 8.360 nan 0.000 0.429 142 V N 5.753 125.564 119.914 -0.172 0.000 2.483 142 V HA 0.322 4.443 4.120 0.001 0.000 0.297 142 V C -0.709 175.411 176.094 0.042 0.000 1.027 142 V CA -0.948 61.269 62.300 -0.139 0.000 0.855 142 V CB 0.858 32.672 31.823 -0.014 0.000 0.995 142 V HN 0.633 nan 8.190 nan 0.000 0.424 143 W N 3.129 124.459 121.300 0.050 0.000 2.578 143 W HA 0.813 5.473 4.660 0.001 0.000 0.346 143 W C -0.284 176.272 176.519 0.063 0.000 1.075 143 W CA -1.116 56.260 57.345 0.053 0.000 1.233 143 W CB 1.727 31.219 29.460 0.053 0.000 1.358 143 W HN 0.397 nan 8.180 nan 0.000 0.574 144 V N 2.654 122.749 119.914 0.301 0.000 2.735 144 V HA 0.691 4.812 4.120 0.001 0.000 0.310 144 V C -1.835 174.394 176.094 0.225 0.000 1.061 144 V CA -0.713 61.708 62.300 0.201 0.000 0.913 144 V CB 2.200 34.075 31.823 0.087 0.000 1.005 144 V HN 0.620 nan 8.190 nan 0.000 0.428 145 W N 5.933 127.243 121.300 0.016 0.000 2.962 145 W HA 0.776 5.437 4.660 0.001 0.000 0.341 145 W C -1.086 175.413 176.519 -0.034 0.000 1.155 145 W CA -0.515 56.824 57.345 -0.010 0.000 1.165 145 W CB 1.818 31.274 29.460 -0.007 0.000 1.435 145 W HN 0.708 nan 8.180 nan 0.000 0.546 146 N N 1.053 118.920 118.700 -1.389 0.000 2.555 146 N HA 0.181 4.922 4.740 0.001 0.000 0.265 146 N C 0.659 175.133 175.510 -1.725 0.000 1.135 146 N CA -0.495 51.771 53.050 -1.306 0.000 0.925 146 N CB 1.367 39.505 38.487 -0.581 0.000 1.662 146 N HN 0.529 nan 8.380 nan 0.000 0.489 147 R N 0.079 119.805 120.500 -1.289 0.000 2.127 147 R HA -0.055 4.286 4.340 0.001 0.000 0.238 147 R C -0.025 176.040 176.300 -0.391 0.000 1.134 147 R CA 1.601 57.316 56.100 -0.642 0.000 0.975 147 R CB -0.834 29.337 30.300 -0.214 0.000 0.865 147 R HN 0.554 nan 8.270 nan 0.000 0.447 148 T N -0.626 113.704 114.554 -0.374 0.000 2.910 148 T HA 0.294 4.645 4.350 0.001 0.000 0.323 148 T C -1.664 172.872 174.700 -0.273 0.000 1.091 148 T CA -2.349 59.606 62.100 -0.242 0.000 0.960 148 T CB 1.735 70.496 68.868 -0.178 0.000 1.024 148 T HN -0.042 nan 8.240 nan 0.000 0.509 149 P HA -0.389 nan 4.420 nan 0.000 0.220 149 P C 1.574 178.776 177.300 -0.164 0.000 1.155 149 P CA 1.686 64.662 63.100 -0.205 0.000 0.880 149 P CB 0.242 31.868 31.700 -0.123 0.000 0.790 150 Q N 0.670 120.390 119.800 -0.133 0.000 2.014 150 Q HA -0.242 4.099 4.340 0.001 0.000 0.207 150 Q C 2.515 178.443 176.000 -0.120 0.000 0.993 150 Q CA 1.919 57.658 55.803 -0.107 0.000 0.850 150 Q CB -0.742 27.942 28.738 -0.089 0.000 0.916 150 Q HN 0.082 nan 8.270 nan 0.000 0.417 151 R N -0.086 120.328 120.500 -0.143 0.000 2.211 151 R HA -0.169 4.172 4.340 0.001 0.000 0.240 151 R C 1.987 178.191 176.300 -0.160 0.000 1.144 151 R CA 1.268 57.279 56.100 -0.148 0.000 0.992 151 R CB -0.259 29.943 30.300 -0.163 0.000 0.869 151 R HN 0.496 nan 8.270 nan 0.000 0.462 152 A N 0.260 122.977 122.820 -0.172 0.000 1.871 152 A HA 0.003 4.324 4.320 0.001 0.000 0.211 152 A C 1.999 179.524 177.584 -0.098 0.000 1.207 152 A CA 0.424 52.372 52.037 -0.150 0.000 0.620 152 A CB -0.399 18.491 19.000 -0.183 0.000 0.860 152 A HN 0.286 nan 8.150 nan 0.000 0.450 153 L N -0.143 121.029 121.223 -0.086 0.000 2.079 153 L HA -0.235 4.106 4.340 0.001 0.000 0.210 153 L C 3.010 179.851 176.870 -0.048 0.000 1.081 153 L CA 1.315 56.123 54.840 -0.054 0.000 0.752 153 L CB -0.332 41.697 42.059 -0.051 0.000 0.896 153 L HN 0.440 nan 8.230 nan 0.000 0.433 154 A N -0.784 121.996 122.820 -0.066 0.000 1.972 154 A HA -0.203 4.118 4.320 0.001 0.000 0.219 154 A C 2.159 179.698 177.584 -0.075 0.000 1.169 154 A CA 1.564 53.565 52.037 -0.060 0.000 0.635 154 A CB -0.580 18.377 19.000 -0.071 0.000 0.810 154 A HN 0.334 nan 8.150 nan 0.000 0.446 155 L N -0.609 120.541 121.223 -0.122 0.000 2.156 155 L HA 0.105 4.445 4.340 0.001 0.000 0.208 155 L C 2.598 179.413 176.870 -0.092 0.000 1.095 155 L CA 1.721 56.437 54.840 -0.207 0.000 0.770 155 L CB -0.620 41.276 42.059 -0.270 0.000 0.914 155 L HN 0.317 nan 8.230 nan 0.000 0.439 156 A N -1.170 121.635 122.820 -0.026 0.000 2.015 156 A HA -0.159 4.162 4.320 0.001 0.000 0.219 156 A C 2.150 179.775 177.584 0.067 0.000 1.163 156 A CA 1.606 53.668 52.037 0.041 0.000 0.646 156 A CB -0.357 18.666 19.000 0.038 0.000 0.806 156 A HN 0.447 nan 8.150 nan 0.000 0.448 157 E N -0.436 119.791 120.200 0.045 0.000 2.042 157 E HA -0.067 4.284 4.350 0.001 0.000 0.189 157 E C 1.979 178.644 176.600 0.109 0.000 0.974 157 E CA 1.135 57.572 56.400 0.061 0.000 0.806 157 E CB -0.323 29.397 29.700 0.032 0.000 0.769 157 E HN 0.720 nan 8.360 nan 0.000 0.451 158 E N -0.922 119.353 120.200 0.124 0.000 2.118 158 E HA -0.184 4.166 4.350 0.001 0.000 0.195 158 E C 0.711 177.606 176.600 0.491 0.000 0.992 158 E CA 1.010 57.556 56.400 0.245 0.000 0.804 158 E CB -0.034 29.791 29.700 0.209 0.000 0.741 158 E HN 0.193 nan 8.360 nan 0.000 0.458 159 F N -0.551 119.425 119.950 0.043 0.000 2.678 159 F HA 0.349 4.876 4.527 0.001 0.000 0.305 159 F C 1.084 176.898 175.800 0.023 0.000 1.090 159 F CA 0.380 58.411 58.000 0.052 0.000 1.272 159 F CB 0.852 39.897 39.000 0.074 0.000 1.060 159 F HN 0.108 nan 8.300 nan 0.000 0.576 160 G N 1.821 110.742 108.800 0.201 0.000 2.353 160 G HA2 -0.252 3.709 3.960 0.001 0.000 0.294 160 G HA3 -0.252 3.709 3.960 0.001 0.000 0.294 160 G C -0.194 174.777 174.900 0.118 0.000 1.077 160 G CA 0.312 45.482 45.100 0.116 0.000 1.098 160 G HN 0.310 nan 8.290 nan 0.000 0.511 161 L N -1.362 119.940 121.223 0.132 0.000 2.305 161 L HA 0.844 5.184 4.340 0.001 0.000 0.261 161 L C 0.783 177.737 176.870 0.141 0.000 1.100 161 L CA -1.459 53.465 54.840 0.141 0.000 1.073 161 L CB 1.554 43.699 42.059 0.143 0.000 1.656 161 L HN 0.204 nan 8.230 nan 0.000 0.536 162 R N 0.447 121.062 120.500 0.191 0.000 2.510 162 R HA 0.602 4.943 4.340 0.001 0.000 0.294 162 R C -1.320 175.052 176.300 0.120 0.000 1.056 162 R CA -0.476 55.716 56.100 0.153 0.000 0.918 162 R CB 1.779 32.205 30.300 0.209 0.000 1.187 162 R HN 0.710 nan 8.270 nan 0.000 0.437 163 A N 4.049 126.896 122.820 0.045 0.000 2.409 163 A HA 0.467 4.787 4.320 0.001 0.000 0.262 163 A C 0.076 177.653 177.584 -0.012 0.000 1.113 163 A CA -0.327 51.727 52.037 0.029 0.000 0.790 163 A CB 0.484 19.477 19.000 -0.011 0.000 1.046 163 A HN 0.570 nan 8.150 nan 0.000 0.496 164 V N 0.195 120.128 119.914 0.032 0.000 3.074 164 V HA 0.848 4.969 4.120 0.001 0.000 0.314 164 V C -2.762 173.405 176.094 0.122 0.000 1.117 164 V CA -2.309 59.967 62.300 -0.039 0.000 1.014 164 V CB 1.836 33.531 31.823 -0.214 0.000 1.057 164 V HN 0.769 nan 8.190 nan 0.000 0.438 165 P HA 0.270 nan 4.420 nan 0.000 0.279 165 P C 0.618 177.946 177.300 0.048 0.000 1.252 165 P CA -0.406 62.775 63.100 0.135 0.000 0.811 165 P CB 1.657 33.375 31.700 0.030 0.000 1.035 166 L N 1.799 122.984 121.223 -0.064 0.000 2.081 166 L HA -0.225 4.116 4.340 0.001 0.000 0.212 166 L C 2.086 178.807 176.870 -0.248 0.000 1.080 166 L CA 2.074 56.644 54.840 -0.449 0.000 0.754 166 L CB -1.310 40.419 42.059 -0.550 0.000 0.893 166 L HN 0.306 nan 8.230 nan 0.000 0.433 167 E N -0.523 119.598 120.200 -0.133 0.000 2.171 167 E HA -0.224 4.127 4.350 0.001 0.000 0.197 167 E C 2.078 178.631 176.600 -0.079 0.000 0.997 167 E CA 0.887 57.230 56.400 -0.095 0.000 0.810 167 E CB -0.255 29.409 29.700 -0.061 0.000 0.738 167 E HN 0.236 nan 8.360 nan 0.000 0.467 168 K N 0.179 120.525 120.400 -0.089 0.000 2.281 168 K HA -0.048 4.273 4.320 0.001 0.000 0.203 168 K C 1.903 178.545 176.600 0.070 0.000 1.046 168 K CA 0.941 57.182 56.287 -0.077 0.000 0.938 168 K CB -0.440 31.924 32.500 -0.226 0.000 0.737 168 K HN 0.196 nan 8.250 nan 0.000 0.458 169 A N 1.379 124.204 122.820 0.009 0.000 1.997 169 A HA -0.246 4.075 4.320 0.001 0.000 0.221 169 A C 2.144 179.760 177.584 0.054 0.000 1.172 169 A CA 1.684 53.731 52.037 0.017 0.000 0.645 169 A CB -0.439 18.466 19.000 -0.158 0.000 0.813 169 A HN 0.342 nan 8.150 nan 0.000 0.454 170 R N -0.637 119.885 120.500 0.036 0.000 2.120 170 R HA -0.120 4.221 4.340 0.001 0.000 0.234 170 R C 1.637 178.003 176.300 0.110 0.000 1.123 170 R CA 1.526 57.663 56.100 0.061 0.000 0.975 170 R CB -0.235 30.088 30.300 0.038 0.000 0.866 170 R HN 0.670 nan 8.270 nan 0.000 0.446 171 E N 0.165 120.469 120.200 0.174 0.000 2.489 171 E HA 0.098 4.449 4.350 0.001 0.000 0.193 171 E C -0.114 176.652 176.600 0.277 0.000 1.057 171 E CA -0.214 56.332 56.400 0.244 0.000 0.866 171 E CB 0.521 30.406 29.700 0.308 0.000 0.916 171 E HN 0.258 nan 8.360 nan 0.000 0.500 172 A N 0.794 123.756 122.820 0.237 0.000 2.302 172 A HA 0.327 4.648 4.320 0.001 0.000 0.285 172 A C 0.849 178.445 177.584 0.020 0.000 1.105 172 A CA -0.397 51.674 52.037 0.056 0.000 0.816 172 A CB 0.642 19.693 19.000 0.085 0.000 1.067 172 A HN 0.029 nan 8.150 nan 0.000 0.489 173 R N -0.411 120.061 120.500 -0.046 0.000 2.404 173 R HA 0.202 4.543 4.340 0.001 0.000 0.237 173 R C -1.050 175.252 176.300 0.004 0.000 0.907 173 R CA 0.129 56.222 56.100 -0.012 0.000 1.063 173 R CB 0.073 30.352 30.300 -0.034 0.000 1.134 173 R HN 0.507 nan 8.270 nan 0.000 0.529 174 L N 1.137 122.358 121.223 -0.002 0.000 2.446 174 L HA 0.453 4.794 4.340 0.001 0.000 0.268 174 L C -1.439 175.486 176.870 0.091 0.000 0.975 174 L CA -0.380 54.487 54.840 0.045 0.000 0.848 174 L CB 1.508 43.583 42.059 0.026 0.000 1.225 174 L HN -0.127 nan 8.230 nan 0.000 0.410 175 L N 5.598 126.919 121.223 0.163 0.000 2.307 175 L HA 0.721 5.062 4.340 0.001 0.000 0.284 175 L C -0.961 176.098 176.870 0.314 0.000 1.023 175 L CA -0.854 54.127 54.840 0.234 0.000 0.810 175 L CB 2.011 44.255 42.059 0.308 0.000 1.231 175 L HN 0.348 nan 8.230 nan 0.000 0.423 176 V N 2.630 122.678 119.914 0.223 0.000 2.482 176 V HA 0.232 4.353 4.120 0.001 0.000 0.295 176 V C -0.318 175.767 176.094 -0.015 0.000 1.026 176 V CA -0.817 61.586 62.300 0.172 0.000 0.856 176 V CB 1.862 33.762 31.823 0.128 0.000 1.001 176 V HN 0.693 nan 8.190 nan 0.000 0.424 177 N N 3.854 122.445 118.700 -0.183 0.000 2.406 177 N HA 0.462 5.202 4.740 0.001 0.000 0.251 177 N C 0.413 175.824 175.510 -0.166 0.000 1.069 177 N CA 0.204 53.026 53.050 -0.380 0.000 0.947 177 N CB 1.628 39.614 38.487 -0.834 0.000 1.111 177 N HN 0.796 nan 8.380 nan 0.000 0.497 178 A N 2.579 125.335 122.820 -0.105 0.000 2.535 178 A HA 0.190 4.511 4.320 0.001 0.000 0.273 178 A C 0.633 178.184 177.584 -0.056 0.000 1.267 178 A CA -0.182 51.811 52.037 -0.073 0.000 0.940 178 A CB -0.564 18.395 19.000 -0.068 0.000 1.101 178 A HN 0.671 nan 8.150 nan 0.000 0.521 179 T N -3.628 110.890 114.554 -0.061 0.000 2.936 179 T HA 0.450 4.800 4.350 0.001 0.000 0.282 179 T C 0.553 175.222 174.700 -0.051 0.000 1.003 179 T CA -0.680 61.400 62.100 -0.035 0.000 1.005 179 T CB 1.079 69.955 68.868 0.015 0.000 1.097 179 T HN 0.226 nan 8.240 nan 0.000 0.532 180 R N 0.281 120.758 120.500 -0.039 0.000 2.320 180 R HA 0.229 4.570 4.340 0.001 0.000 0.211 180 R C 0.020 176.300 176.300 -0.034 0.000 0.931 180 R CA -0.182 55.891 56.100 -0.045 0.000 1.071 180 R CB -0.120 30.156 30.300 -0.041 0.000 1.025 180 R HN 0.437 nan 8.270 nan 0.000 0.495 181 V N 0.859 120.759 119.914 -0.023 0.000 2.529 181 V HA 0.179 4.299 4.120 0.001 0.000 0.292 181 V C 1.396 177.487 176.094 -0.005 0.000 1.028 181 V CA 1.072 63.369 62.300 -0.005 0.000 1.074 181 V CB 0.854 32.683 31.823 0.010 0.000 0.958 181 V HN 0.701 nan 8.190 nan 0.000 0.481 182 G N 4.054 112.862 108.800 0.013 0.000 2.232 182 G HA2 -0.204 3.757 3.960 0.001 0.000 0.226 182 G HA3 -0.204 3.757 3.960 0.001 0.000 0.226 182 G C -0.021 174.884 174.900 0.008 0.000 0.996 182 G CA -0.023 45.096 45.100 0.032 0.000 0.626 182 G HN 0.788 nan 8.290 nan 0.000 0.509 183 L N 2.180 123.389 121.223 -0.024 0.000 2.638 183 L HA 0.443 4.783 4.340 0.001 0.000 0.273 183 L C 1.079 177.927 176.870 -0.037 0.000 1.147 183 L CA 0.981 55.789 54.840 -0.053 0.000 0.941 183 L CB -0.521 41.492 42.059 -0.076 0.000 1.251 183 L HN 0.361 nan 8.230 nan 0.000 0.479 184 E N 2.614 122.795 120.200 -0.032 0.000 2.476 184 E HA -0.271 4.080 4.350 0.001 0.000 0.251 184 E C -0.420 176.179 176.600 -0.001 0.000 1.130 184 E CA 1.030 57.418 56.400 -0.019 0.000 0.736 184 E CB -1.092 28.586 29.700 -0.037 0.000 1.298 184 E HN 0.772 nan 8.360 nan 0.000 0.400 185 D N -1.185 119.222 120.400 0.013 0.000 2.586 185 D HA 0.237 4.878 4.640 0.001 0.000 0.254 185 D C -1.964 174.362 176.300 0.043 0.000 1.248 185 D CA -1.868 52.146 54.000 0.024 0.000 0.843 185 D CB 0.925 41.738 40.800 0.021 0.000 1.332 185 D HN -0.196 nan 8.370 nan 0.000 0.523 186 P HA -0.168 nan 4.420 nan 0.000 0.217 186 P C 1.078 178.419 177.300 0.069 0.000 1.148 186 P CA 1.244 64.384 63.100 0.066 0.000 0.834 186 P CB 0.248 31.982 31.700 0.058 0.000 0.783 187 S N -2.772 112.962 115.700 0.056 0.000 2.577 187 S HA 0.434 4.905 4.470 0.001 0.000 0.219 187 S C 0.722 175.361 174.600 0.065 0.000 0.962 187 S CA -0.300 57.934 58.200 0.057 0.000 0.921 187 S CB -0.340 62.886 63.200 0.043 0.000 0.789 187 S HN 0.064 nan 8.310 nan 0.000 0.497 188 A N 1.016 123.878 122.820 0.069 0.000 2.330 188 A HA 0.807 5.128 4.320 0.001 0.000 0.327 188 A C -0.143 177.501 177.584 0.100 0.000 1.155 188 A CA -0.625 51.455 52.037 0.071 0.000 0.803 188 A CB 1.632 20.662 19.000 0.051 0.000 1.208 188 A HN 0.389 nan 8.150 nan 0.000 0.477 189 S N 1.928 117.694 115.700 0.111 0.000 2.546 189 S HA 0.728 5.199 4.470 0.001 0.000 0.274 189 S C -2.300 172.354 174.600 0.089 0.000 1.121 189 S CA -0.968 57.324 58.200 0.154 0.000 0.887 189 S CB 1.842 65.201 63.200 0.265 0.000 1.094 189 S HN 0.509 nan 8.310 nan 0.000 0.474 190 P HA 0.216 nan 4.420 nan 0.000 0.240 190 P C -0.161 177.061 177.300 -0.129 0.000 1.190 190 P CA 0.154 63.232 63.100 -0.036 0.000 0.781 190 P CB 0.102 31.758 31.700 -0.073 0.000 0.931 191 L N 1.340 122.531 121.223 -0.053 0.000 2.343 191 L HA 0.582 4.923 4.340 0.001 0.000 0.278 191 L C -2.892 173.965 176.870 -0.022 0.000 0.996 191 L CA -2.690 52.052 54.840 -0.164 0.000 0.831 191 L CB 1.818 43.679 42.059 -0.329 0.000 1.232 191 L HN -0.311 nan 8.230 nan 0.000 0.413 192 P HA 0.123 nan 4.420 nan 0.000 0.267 192 P C 0.304 177.700 177.300 0.161 0.000 1.205 192 P CA 0.136 63.271 63.100 0.059 0.000 0.765 192 P CB 1.038 32.742 31.700 0.006 0.000 0.828 193 A N 4.144 127.130 122.820 0.277 0.000 1.971 193 A HA -0.292 4.028 4.320 0.001 0.000 0.222 193 A C 1.753 179.517 177.584 0.299 0.000 1.182 193 A CA 2.006 54.279 52.037 0.392 0.000 0.649 193 A CB -1.121 17.970 19.000 0.152 0.000 0.818 193 A HN 0.577 nan 8.150 nan 0.000 0.458 194 E N -0.189 120.098 120.200 0.145 0.000 2.265 194 E HA -0.051 4.299 4.350 0.001 0.000 0.196 194 E C 1.415 178.056 176.600 0.067 0.000 0.996 194 E CA 0.797 57.250 56.400 0.088 0.000 0.832 194 E CB -0.246 29.482 29.700 0.046 0.000 0.756 194 E HN 0.681 nan 8.360 nan 0.000 0.491 195 L N -0.164 121.077 121.223 0.030 0.000 2.607 195 L HA 0.202 4.543 4.340 0.001 0.000 0.228 195 L C -0.014 176.806 176.870 -0.083 0.000 1.123 195 L CA -0.547 54.261 54.840 -0.054 0.000 0.890 195 L CB 0.047 42.019 42.059 -0.145 0.000 1.103 195 L HN 0.034 nan 8.230 nan 0.000 0.468 196 F N 2.644 122.592 119.950 -0.004 0.000 2.529 196 F HA 0.152 4.680 4.527 0.001 0.000 0.365 196 F C -1.274 174.530 175.800 0.006 0.000 1.102 196 F CA -2.024 55.974 58.000 -0.002 0.000 1.271 196 F CB 0.096 39.079 39.000 -0.027 0.000 1.120 196 F HN -0.118 nan 8.300 nan 0.000 0.579 197 P HA -0.071 nan 4.420 nan 0.000 0.269 197 P C -0.180 177.194 177.300 0.124 0.000 1.205 197 P CA 0.235 63.418 63.100 0.138 0.000 0.780 197 P CB 0.716 32.492 31.700 0.128 0.000 0.858 198 E N 0.358 120.609 120.200 0.085 0.000 2.033 198 E HA -0.049 4.301 4.350 0.001 0.000 0.189 198 E C 0.640 177.268 176.600 0.046 0.000 0.979 198 E CA 0.968 57.404 56.400 0.060 0.000 0.802 198 E CB 0.113 29.843 29.700 0.051 0.000 0.763 198 E HN 0.559 nan 8.360 nan 0.000 0.449 199 E N -0.909 119.318 120.200 0.045 0.000 2.378 199 E HA 0.523 4.874 4.350 0.001 0.000 0.265 199 E C -0.072 176.550 176.600 0.037 0.000 0.932 199 E CA -0.262 56.157 56.400 0.031 0.000 0.795 199 E CB 2.287 32.000 29.700 0.022 0.000 1.296 199 E HN 0.200 nan 8.360 nan 0.000 0.438 200 G N -0.024 108.792 108.800 0.025 0.000 2.297 200 G HA2 0.316 4.276 3.960 0.001 0.000 0.209 200 G HA3 0.316 4.276 3.960 0.001 0.000 0.209 200 G C -1.531 173.387 174.900 0.031 0.000 1.267 200 G CA -0.319 44.797 45.100 0.028 0.000 1.127 200 G HN 0.819 nan 8.290 nan 0.000 0.498 201 A N -1.262 121.586 122.820 0.046 0.000 2.606 201 A HA 1.109 5.429 4.320 0.001 0.000 0.293 201 A C -0.214 177.428 177.584 0.097 0.000 1.082 201 A CA 0.521 52.590 52.037 0.053 0.000 0.685 201 A CB 1.196 20.217 19.000 0.034 0.000 1.284 201 A HN 2.618 nan 8.150 nan 0.000 0.408 202 A N 0.240 123.120 122.820 0.101 0.000 2.435 202 A HA 0.805 5.126 4.320 0.001 0.000 0.304 202 A C -1.245 176.470 177.584 0.218 0.000 1.064 202 A CA -0.551 51.594 52.037 0.181 0.000 0.727 202 A CB 1.613 20.641 19.000 0.047 0.000 1.284 202 A HN 1.590 nan 8.150 nan 0.000 0.415 203 V N 1.801 121.934 119.914 0.365 0.000 2.638 203 V HA 0.464 4.584 4.120 0.001 0.000 0.306 203 V C -1.287 175.064 176.094 0.429 0.000 1.052 203 V CA -0.614 61.882 62.300 0.327 0.000 0.885 203 V CB 2.047 34.046 31.823 0.294 0.000 0.999 203 V HN 0.944 nan 8.190 nan 0.000 0.424 204 D N 2.882 123.487 120.400 0.341 0.000 2.278 204 D HA 0.459 5.100 4.640 0.001 0.000 0.245 204 D C 0.574 176.972 176.300 0.163 0.000 1.052 204 D CA -0.384 53.768 54.000 0.254 0.000 0.834 204 D CB 2.190 43.192 40.800 0.337 0.000 1.194 204 D HN 0.409 nan 8.370 nan 0.000 0.481 205 L N 2.160 123.446 121.223 0.105 0.000 2.492 205 L HA 0.138 4.478 4.340 0.001 0.000 0.223 205 L C 0.557 177.484 176.870 0.095 0.000 1.132 205 L CA 0.164 55.079 54.840 0.126 0.000 0.850 205 L CB 0.228 42.332 42.059 0.074 0.000 0.966 205 L HN 0.150 nan 8.230 nan 0.000 0.454 206 V N 0.437 120.362 119.914 0.018 0.000 2.461 206 V HA -0.044 4.076 4.120 0.001 0.000 0.275 206 V C 0.379 176.458 176.094 -0.024 0.000 1.047 206 V CA -0.188 62.058 62.300 -0.090 0.000 0.955 206 V CB 0.577 32.354 31.823 -0.076 0.000 0.988 206 V HN 0.292 nan 8.190 nan 0.000 0.471 207 Y N 2.637 122.930 120.300 -0.010 0.000 2.612 207 Y HA 0.575 5.125 4.550 0.001 0.000 0.250 207 Y C 0.670 176.553 175.900 -0.029 0.000 1.175 207 Y CA -0.860 57.218 58.100 -0.038 0.000 1.205 207 Y CB 0.202 38.640 38.460 -0.036 0.000 1.201 207 Y HN 0.372 nan 8.280 nan 0.000 0.532 208 R N 3.042 123.485 120.500 -0.095 0.000 2.467 208 R HA 0.329 4.670 4.340 0.001 0.000 0.299 208 R C -3.012 173.266 176.300 -0.035 0.000 1.120 208 R CA -1.828 54.246 56.100 -0.042 0.000 0.940 208 R CB 1.754 31.993 30.300 -0.101 0.000 1.161 208 R HN 0.077 nan 8.270 nan 0.000 0.506 209 P HA -0.001 nan 4.420 nan 0.000 0.275 209 P C 0.396 177.725 177.300 0.048 0.000 1.266 209 P CA -0.501 62.632 63.100 0.054 0.000 0.793 209 P CB 1.030 32.780 31.700 0.083 0.000 1.074 210 L N 0.196 121.444 121.223 0.043 0.000 2.044 210 L HA 0.087 4.427 4.340 0.001 0.000 0.205 210 L C 0.737 177.443 176.870 -0.273 0.000 1.075 210 L CA 1.392 56.171 54.840 -0.102 0.000 0.747 210 L CB -1.010 40.972 42.059 -0.127 0.000 0.903 210 L HN 0.335 nan 8.230 nan 0.000 0.435 211 W N 1.192 122.535 121.300 0.072 0.000 2.253 211 W HA 0.377 5.038 4.660 0.001 0.000 0.348 211 W C 0.622 177.182 176.519 0.068 0.000 0.920 211 W CA -0.582 56.800 57.345 0.063 0.000 1.518 211 W CB -0.159 29.322 29.460 0.034 0.000 1.446 211 W HN 0.059 nan 8.180 nan 0.000 0.361 212 T N -1.967 112.719 114.554 0.219 0.000 2.748 212 T HA 0.109 4.460 4.350 0.001 0.000 0.304 212 T C 1.433 176.269 174.700 0.226 0.000 1.041 212 T CA -0.431 61.790 62.100 0.201 0.000 1.033 212 T CB 1.321 70.309 68.868 0.200 0.000 0.995 212 T HN 0.519 nan 8.240 nan 0.000 0.536 213 R N -0.411 120.206 120.500 0.196 0.000 2.096 213 R HA -0.070 4.271 4.340 0.001 0.000 0.235 213 R C 2.127 178.556 176.300 0.215 0.000 1.127 213 R CA 1.174 57.376 56.100 0.171 0.000 0.968 213 R CB -0.542 29.846 30.300 0.147 0.000 0.861 213 R HN 0.720 nan 8.270 nan 0.000 0.440 214 F N 1.271 121.309 119.950 0.147 0.000 2.065 214 F HA -0.227 4.301 4.527 0.001 0.000 0.298 214 F C 1.712 177.630 175.800 0.197 0.000 1.112 214 F CA 1.703 59.839 58.000 0.227 0.000 1.212 214 F CB -0.391 38.725 39.000 0.193 0.000 0.975 214 F HN -0.009 nan 8.300 nan 0.000 0.476 215 L N -0.327 120.959 121.223 0.106 0.000 2.093 215 L HA -0.170 4.171 4.340 0.001 0.000 0.208 215 L C 2.661 179.544 176.870 0.021 0.000 1.085 215 L CA 1.344 56.195 54.840 0.019 0.000 0.755 215 L CB -0.591 41.603 42.059 0.225 0.000 0.904 215 L HN 0.064 nan 8.230 nan 0.000 0.435 216 R N -0.021 120.529 120.500 0.084 0.000 2.081 216 R HA -0.157 4.184 4.340 0.001 0.000 0.235 216 R C 2.212 178.416 176.300 -0.160 0.000 1.131 216 R CA 1.404 57.503 56.100 -0.000 0.000 0.960 216 R CB -0.213 30.107 30.300 0.033 0.000 0.856 216 R HN 0.418 nan 8.270 nan 0.000 0.436 217 E N 0.412 120.472 120.200 -0.234 0.000 2.023 217 E HA -0.218 4.133 4.350 0.001 0.000 0.196 217 E C 2.146 178.247 176.600 -0.832 0.000 1.003 217 E CA 1.241 57.362 56.400 -0.464 0.000 0.809 217 E CB -0.238 29.207 29.700 -0.425 0.000 0.755 217 E HN 0.370 nan 8.360 nan 0.000 0.449 218 A N 1.801 123.966 122.820 -1.092 0.000 1.927 218 A HA -0.317 4.003 4.320 0.001 0.000 0.220 218 A C 2.095 179.420 177.584 -0.432 0.000 1.185 218 A CA 2.161 53.646 52.037 -0.920 0.000 0.639 218 A CB -0.549 18.113 19.000 -0.564 0.000 0.820 218 A HN 0.131 nan 8.150 nan 0.000 0.451 219 K N -0.586 119.645 120.400 -0.282 0.000 2.057 219 K HA -0.023 4.297 4.320 0.001 0.000 0.206 219 K C 2.165 178.663 176.600 -0.170 0.000 1.050 219 K CA 1.168 57.360 56.287 -0.158 0.000 0.935 219 K CB -0.361 32.082 32.500 -0.094 0.000 0.715 219 K HN 0.359 nan 8.250 nan 0.000 0.439 220 A N 1.495 124.193 122.820 -0.204 0.000 1.940 220 A HA -0.156 4.164 4.320 0.001 0.000 0.219 220 A C 1.839 179.329 177.584 -0.157 0.000 1.176 220 A CA 1.487 53.424 52.037 -0.167 0.000 0.631 220 A CB -0.329 18.570 19.000 -0.168 0.000 0.814 220 A HN 0.178 nan 8.150 nan 0.000 0.446 221 K N -1.606 118.665 120.400 -0.215 0.000 2.439 221 K HA 0.051 4.371 4.320 0.001 0.000 0.197 221 K C 1.223 177.766 176.600 -0.095 0.000 1.041 221 K CA 0.879 57.074 56.287 -0.154 0.000 0.970 221 K CB -0.192 32.190 32.500 -0.197 0.000 0.773 221 K HN 0.859 nan 8.250 nan 0.000 0.479 222 G N 0.546 109.286 108.800 -0.100 0.000 2.163 222 G HA2 -0.190 3.771 3.960 0.001 0.000 0.213 222 G HA3 -0.190 3.771 3.960 0.001 0.000 0.213 222 G C -0.312 174.562 174.900 -0.044 0.000 0.991 222 G CA -0.409 44.655 45.100 -0.061 0.000 0.653 222 G HN 0.073 nan 8.290 nan 0.000 0.518 223 L N 1.030 122.219 121.223 -0.057 0.000 2.418 223 L HA 0.542 4.882 4.340 0.001 0.000 0.265 223 L C 0.994 177.854 176.870 -0.017 0.000 1.143 223 L CA -0.260 54.565 54.840 -0.025 0.000 0.809 223 L CB 0.742 42.792 42.059 -0.014 0.000 1.124 223 L HN 0.156 nan 8.230 nan 0.000 0.456 224 K N 1.219 121.622 120.400 0.005 0.000 2.202 224 K HA 0.573 4.893 4.320 0.001 0.000 0.264 224 K C -0.628 175.993 176.600 0.034 0.000 1.010 224 K CA -0.459 55.839 56.287 0.018 0.000 0.940 224 K CB 1.078 33.587 32.500 0.015 0.000 0.983 224 K HN 0.472 nan 8.250 nan 0.000 0.475 225 V N -1.323 118.630 119.914 0.066 0.000 3.078 225 V HA 0.526 4.647 4.120 0.001 0.000 0.311 225 V C -1.215 174.928 176.094 0.083 0.000 1.138 225 V CA -0.978 61.374 62.300 0.086 0.000 1.007 225 V CB 1.860 33.765 31.823 0.137 0.000 1.045 225 V HN 0.857 nan 8.190 nan 0.000 0.432 226 Q N 1.195 121.025 119.800 0.049 0.000 2.289 226 Q HA 0.587 4.927 4.340 0.001 0.000 0.270 226 Q C -0.233 175.734 176.000 -0.054 0.000 1.038 226 Q CA -0.305 55.496 55.803 -0.002 0.000 0.812 226 Q CB 2.506 31.245 28.738 0.002 0.000 1.300 226 Q HN 1.196 nan 8.270 nan 0.000 0.427 227 T N -0.473 113.973 114.554 -0.179 0.000 2.729 227 T HA 0.346 4.697 4.350 0.001 0.000 0.298 227 T C 1.062 175.742 174.700 -0.035 0.000 1.013 227 T CA 0.097 62.063 62.100 -0.222 0.000 0.957 227 T CB 0.628 69.256 68.868 -0.401 0.000 1.130 227 T HN 0.728 nan 8.240 nan 0.000 0.526 228 G N -0.835 107.984 108.800 0.032 0.000 2.985 228 G HA2 0.158 4.118 3.960 0.001 0.000 0.209 228 G HA3 0.158 4.118 3.960 0.001 0.000 0.209 228 G C 1.317 176.254 174.900 0.063 0.000 1.165 228 G CA -0.194 44.995 45.100 0.148 0.000 0.776 228 G HN 0.645 nan 8.290 nan 0.000 0.541 229 L N 0.354 121.545 121.223 -0.054 0.000 2.109 229 L HA 0.010 4.351 4.340 0.001 0.000 0.207 229 L C -0.081 176.753 176.870 -0.060 0.000 1.086 229 L CA 0.821 55.572 54.840 -0.148 0.000 0.760 229 L CB -0.899 41.058 42.059 -0.169 0.000 0.910 229 L HN 0.099 nan 8.230 nan 0.000 0.437 230 P HA -0.223 nan 4.420 nan 0.000 0.215 230 P C 1.849 179.274 177.300 0.209 0.000 1.153 230 P CA 1.548 64.717 63.100 0.114 0.000 0.853 230 P CB 0.009 31.768 31.700 0.098 0.000 0.788 231 M N -1.291 118.399 119.600 0.150 0.000 2.132 231 M HA -0.149 4.331 4.480 0.001 0.000 0.263 231 M C 1.879 178.285 176.300 0.176 0.000 1.065 231 M CA 1.715 57.136 55.300 0.202 0.000 1.122 231 M CB -0.714 32.046 32.600 0.267 0.000 1.365 231 M HN -0.132 nan 8.290 nan 0.000 0.411 232 L N 1.008 122.278 121.223 0.079 0.000 2.012 232 L HA -0.119 4.221 4.340 0.001 0.000 0.210 232 L C 2.534 179.394 176.870 -0.016 0.000 1.073 232 L CA 2.368 57.210 54.840 0.004 0.000 0.748 232 L CB -1.073 40.874 42.059 -0.186 0.000 0.891 232 L HN 0.375 nan 8.230 nan 0.000 0.431 233 A N -1.491 121.297 122.820 -0.053 0.000 1.902 233 A HA -0.247 4.073 4.320 0.001 0.000 0.217 233 A C 2.068 179.564 177.584 -0.147 0.000 1.181 233 A CA 1.905 53.853 52.037 -0.149 0.000 0.623 233 A CB -1.324 17.550 19.000 -0.210 0.000 0.818 233 A HN 0.646 nan 8.150 nan 0.000 0.443 234 W N 0.318 121.584 121.300 -0.057 0.000 2.381 234 W HA -0.127 4.533 4.660 0.001 0.000 0.301 234 W C 2.750 179.256 176.519 -0.022 0.000 1.205 234 W CA 1.525 58.847 57.345 -0.038 0.000 1.285 234 W CB -0.302 29.143 29.460 -0.026 0.000 1.133 234 W HN 0.630 nan 8.180 nan 0.000 0.521 235 Q N -0.195 119.738 119.800 0.223 0.000 2.170 235 Q HA -0.040 4.300 4.340 0.001 0.000 0.203 235 Q C 2.100 178.145 176.000 0.075 0.000 0.976 235 Q CA 2.191 58.084 55.803 0.150 0.000 0.858 235 Q CB -1.448 27.382 28.738 0.152 0.000 0.907 235 Q HN 0.171 nan 8.270 nan 0.000 0.433 236 G N 0.390 109.211 108.800 0.035 0.000 2.394 236 G HA2 -0.043 3.917 3.960 0.001 0.000 0.215 236 G HA3 -0.043 3.917 3.960 0.001 0.000 0.215 236 G C 1.569 176.425 174.900 -0.072 0.000 1.165 236 G CA 0.690 45.788 45.100 -0.003 0.000 0.784 236 G HN 0.572 nan 8.290 nan 0.000 0.535 237 A N 0.569 123.304 122.820 -0.141 0.000 1.930 237 A HA 0.148 4.469 4.320 0.001 0.000 0.217 237 A C 2.398 179.956 177.584 -0.044 0.000 1.175 237 A CA 1.046 52.993 52.037 -0.150 0.000 0.627 237 A CB -0.360 18.444 19.000 -0.327 0.000 0.815 237 A HN 0.341 nan 8.150 nan 0.000 0.443 238 L N -0.922 120.299 121.223 -0.005 0.000 2.141 238 L HA -0.152 4.188 4.340 0.001 0.000 0.209 238 L C 3.066 179.830 176.870 -0.177 0.000 1.094 238 L CA 0.887 55.720 54.840 -0.012 0.000 0.763 238 L CB -0.532 41.569 42.059 0.070 0.000 0.908 238 L HN 0.445 nan 8.230 nan 0.000 0.437 239 A N -0.141 122.524 122.820 -0.259 0.000 1.898 239 A HA -0.251 4.070 4.320 0.001 0.000 0.216 239 A C 2.156 179.116 177.584 -1.040 0.000 1.181 239 A CA 1.357 52.972 52.037 -0.704 0.000 0.620 239 A CB -0.794 17.811 19.000 -0.659 0.000 0.819 239 A HN 0.344 nan 8.150 nan 0.000 0.442 240 F N 0.374 119.985 119.950 -0.565 0.000 2.134 240 F HA -0.156 4.372 4.527 0.002 0.000 0.299 240 F C 2.463 178.175 175.800 -0.146 0.000 1.097 240 F CA 2.019 59.878 58.000 -0.236 0.000 1.264 240 F CB -0.142 38.845 39.000 -0.022 0.000 1.001 240 F HN 0.186 nan 8.300 nan 0.000 0.479 241 R N 0.456 120.964 120.500 0.013 0.000 2.091 241 R HA -0.200 4.140 4.340 0.001 0.000 0.238 241 R C 2.391 178.620 176.300 -0.119 0.000 1.136 241 R CA 1.755 57.854 56.100 -0.003 0.000 0.959 241 R CB -0.746 29.551 30.300 -0.005 0.000 0.856 241 R HN 0.476 nan 8.270 nan 0.000 0.437 242 L N 0.079 121.133 121.223 -0.280 0.000 2.042 242 L HA -0.199 4.142 4.340 0.001 0.000 0.210 242 L C 1.954 178.713 176.870 -0.185 0.000 1.076 242 L CA 1.355 55.980 54.840 -0.359 0.000 0.749 242 L CB -0.286 41.406 42.059 -0.612 0.000 0.893 242 L HN 0.333 nan 8.230 nan 0.000 0.432 243 W N -0.558 120.655 121.300 -0.145 0.000 2.453 243 W HA -0.030 4.631 4.660 0.000 0.000 0.289 243 W C 2.589 179.063 176.519 -0.075 0.000 1.215 243 W CA 1.536 58.834 57.345 -0.079 0.000 1.297 243 W CB -1.248 28.167 29.460 -0.075 0.000 1.113 243 W HN 0.394 nan 8.180 nan 0.000 0.551 244 T N -4.886 109.704 114.554 0.059 0.000 2.955 244 T HA 0.392 4.743 4.350 0.001 0.000 0.251 244 T C 1.646 176.377 174.700 0.053 0.000 1.002 244 T CA 1.006 63.134 62.100 0.047 0.000 0.970 244 T CB 0.562 69.426 68.868 -0.007 0.000 1.091 244 T HN 0.182 nan 8.240 nan 0.000 0.495 245 G N 1.150 109.971 108.800 0.034 0.000 2.176 245 G HA2 -0.126 3.835 3.960 0.001 0.000 0.232 245 G HA3 -0.126 3.835 3.960 0.001 0.000 0.232 245 G C -0.361 174.578 174.900 0.065 0.000 0.986 245 G CA 0.009 45.129 45.100 0.034 0.000 0.643 245 G HN 0.590 nan 8.290 nan 0.000 0.522 246 L N 0.428 121.726 121.223 0.124 0.000 2.307 246 L HA 0.784 5.125 4.340 0.001 0.000 0.284 246 L C 0.109 177.091 176.870 0.187 0.000 1.023 246 L CA -0.958 53.974 54.840 0.153 0.000 0.810 246 L CB 1.764 43.944 42.059 0.201 0.000 1.231 246 L HN 0.173 nan 8.230 nan 0.000 0.423 247 L N 6.571 127.844 121.223 0.082 0.000 2.255 247 L HA 0.616 4.956 4.340 0.001 0.000 0.289 247 L C -2.127 174.704 176.870 -0.066 0.000 1.046 247 L CA -1.222 53.633 54.840 0.025 0.000 0.816 247 L CB 0.597 42.657 42.059 0.002 0.000 1.197 247 L HN 0.421 nan 8.230 nan 0.000 0.427 248 P HA 0.048 nan 4.420 nan 0.000 0.274 248 P C -0.853 176.331 177.300 -0.193 0.000 1.237 248 P CA -0.416 62.532 63.100 -0.253 0.000 0.793 248 P CB 0.643 32.075 31.700 -0.446 0.000 0.977 249 D N 2.351 122.695 120.400 -0.093 0.000 2.426 249 D HA 0.002 4.642 4.640 0.001 0.000 0.261 249 D C -1.435 174.751 176.300 -0.190 0.000 1.245 249 D CA -1.428 52.520 54.000 -0.086 0.000 0.917 249 D CB 0.485 41.319 40.800 0.057 0.000 1.123 249 D HN 0.101 nan 8.370 nan 0.000 0.508 250 P HA -0.134 nan 4.420 nan 0.000 0.218 250 P C 1.449 178.490 177.300 -0.431 0.000 1.148 250 P CA 0.765 63.449 63.100 -0.693 0.000 0.822 250 P CB 0.258 31.028 31.700 -1.551 0.000 0.784 251 S N -0.960 114.567 115.700 -0.289 0.000 2.368 251 S HA -0.085 4.385 4.470 0.001 0.000 0.224 251 S C 2.145 176.572 174.600 -0.289 0.000 1.029 251 S CA 1.647 59.725 58.200 -0.203 0.000 0.988 251 S CB -1.355 61.775 63.200 -0.117 0.000 0.838 251 S HN 0.199 nan 8.310 nan 0.000 0.462 252 G N 1.336 109.931 108.800 -0.342 0.000 2.408 252 G HA2 -0.115 3.845 3.960 0.001 0.000 0.217 252 G HA3 -0.115 3.845 3.960 0.001 0.000 0.217 252 G C 1.476 175.736 174.900 -1.066 0.000 1.150 252 G CA 0.750 45.365 45.100 -0.808 0.000 0.776 252 G HN 0.410 nan 8.290 nan 0.000 0.542 253 M N 0.480 119.742 119.600 -0.563 0.000 2.117 253 M HA -0.030 4.451 4.480 0.001 0.000 0.262 253 M C 2.257 178.335 176.300 -0.372 0.000 1.065 253 M CA 1.253 56.312 55.300 -0.403 0.000 1.114 253 M CB -1.013 31.401 32.600 -0.309 0.000 1.361 253 M HN 0.431 nan 8.290 nan 0.000 0.408 254 E N 0.362 120.366 120.200 -0.327 0.000 2.072 254 E HA -0.248 4.102 4.350 0.001 0.000 0.191 254 E C 1.889 178.343 176.600 -0.244 0.000 0.985 254 E CA 1.407 57.660 56.400 -0.245 0.000 0.801 254 E CB 0.107 29.700 29.700 -0.180 0.000 0.750 254 E HN 0.336 nan 8.360 nan 0.000 0.452 255 E N 0.715 120.737 120.200 -0.296 0.000 2.085 255 E HA -0.171 4.180 4.350 0.001 0.000 0.194 255 E C 1.721 178.169 176.600 -0.254 0.000 0.994 255 E CA 1.638 57.882 56.400 -0.260 0.000 0.801 255 E CB -0.424 29.095 29.700 -0.303 0.000 0.743 255 E HN 0.329 nan 8.360 nan 0.000 0.453 256 A N 0.762 123.373 122.820 -0.350 0.000 1.902 256 A HA -0.043 4.278 4.320 0.001 0.000 0.217 256 A C 2.458 179.948 177.584 -0.157 0.000 1.181 256 A CA 2.234 54.123 52.037 -0.248 0.000 0.623 256 A CB -1.035 17.804 19.000 -0.268 0.000 0.818 256 A HN 0.401 nan 8.150 nan 0.000 0.443 257 A N -0.604 122.108 122.820 -0.179 0.000 1.898 257 A HA -0.135 4.186 4.320 0.001 0.000 0.216 257 A C 2.261 179.782 177.584 -0.104 0.000 1.181 257 A CA 1.357 53.308 52.037 -0.143 0.000 0.620 257 A CB -0.474 18.405 19.000 -0.202 0.000 0.819 257 A HN 0.416 nan 8.150 nan 0.000 0.442 258 R N -0.569 119.864 120.500 -0.112 0.000 2.083 258 R HA -0.170 4.171 4.340 0.001 0.000 0.237 258 R C 2.448 178.726 176.300 -0.038 0.000 1.137 258 R CA 1.869 57.929 56.100 -0.067 0.000 0.951 258 R CB -0.542 29.717 30.300 -0.069 0.000 0.851 258 R HN 0.676 nan 8.270 nan 0.000 0.434 259 R N 0.417 120.886 120.500 -0.052 0.000 2.081 259 R HA -0.082 4.259 4.340 0.001 0.000 0.235 259 R C 2.095 178.392 176.300 -0.006 0.000 1.131 259 R CA 1.599 57.682 56.100 -0.029 0.000 0.960 259 R CB -0.271 30.003 30.300 -0.042 0.000 0.856 259 R HN 0.203 nan 8.270 nan 0.000 0.436 260 A N 0.804 123.618 122.820 -0.010 0.000 1.972 260 A HA -0.081 4.240 4.320 0.001 0.000 0.219 260 A C 2.133 179.742 177.584 0.042 0.000 1.169 260 A CA 1.074 53.123 52.037 0.019 0.000 0.635 260 A CB -0.397 18.613 19.000 0.017 0.000 0.810 260 A HN 0.382 nan 8.150 nan 0.000 0.446 261 L N -1.618 119.624 121.223 0.031 0.000 2.240 261 L HA 0.072 4.412 4.340 0.001 0.000 0.211 261 L C 1.900 178.800 176.870 0.050 0.000 1.106 261 L CA 0.782 55.654 54.840 0.054 0.000 0.793 261 L CB -0.321 41.768 42.059 0.050 0.000 0.927 261 L HN 0.602 nan 8.230 nan 0.000 0.446 262 G N 0.257 109.078 108.800 0.035 0.000 2.143 262 G HA2 -0.243 3.717 3.960 0.001 0.000 0.249 262 G HA3 -0.243 3.717 3.960 0.001 0.000 0.249 262 G C 0.196 175.119 174.900 0.038 0.000 0.981 262 G CA 0.320 45.441 45.100 0.035 0.000 0.665 262 G HN 0.331 nan 8.290 nan 0.000 0.528 263 V N 0.000 119.939 119.914 0.042 0.000 2.409 263 V HA 0.000 4.121 4.120 0.001 0.000 0.244 263 V CA 0.000 62.334 62.300 0.057 0.000 1.235 263 V CB 0.000 31.870 31.823 0.078 0.000 1.184 263 V HN 0.000 nan 8.190 nan 0.000 0.556