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 2buj_1_A DATA FIRST_RESID 5 DATA SEQUENCE NLYFQGHMVI IDNKHYLFIQ KLGEXXFSYV DLVEGLHDGH FYALKRILCH DATA SEQUENCE EQQDREEAQR EADMHRLFNH PNILRLVAYC LRERGAKHEA WLLLPFFKRG DATA SEQUENCE TLWNEIERLK DKGNFLTEDQ ILWLLLGICR GLEAIHAKGY AHRDLKPTNI DATA SEQUENCE LLGDEGQPVL MDLGSMNQAC IHVEGSRQAL TLQDWAAQRC TISYRAPELF DATA SEQUENCE SVQSHCVIDE RTDVWSLGCV LYAMMFGEGP YDMVFQKGDS VALAVQNQXX DATA SEQUENCE IPQSPRHSSA LWQLLNSMMT VDPHQRPHIP LLLSQLEALQ PPAPG 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 N HA 0.000 nan 4.740 nan 0.000 0.220 5 N C 0.000 175.550 175.510 0.066 0.000 1.280 5 N CA 0.000 53.096 53.050 0.076 0.000 0.885 5 N CB 0.000 38.515 38.487 0.046 0.000 1.341 6 L N 0.041 121.277 121.223 0.021 0.000 2.463 6 L HA 0.441 4.789 4.340 0.014 0.000 0.219 6 L C 0.576 177.385 176.870 -0.102 0.000 1.088 6 L CA 0.028 54.832 54.840 -0.060 0.000 0.849 6 L CB -0.098 41.866 42.059 -0.158 0.000 1.012 6 L HN 0.418 nan 8.230 nan 0.000 0.468 7 Y N 0.242 120.551 120.300 0.015 0.000 2.296 7 Y HA 0.255 4.813 4.550 0.014 0.000 0.343 7 Y C 0.114 176.037 175.900 0.039 0.000 1.292 7 Y CA -0.491 57.571 58.100 -0.063 0.000 1.490 7 Y CB 0.433 38.824 38.460 -0.116 0.000 1.359 7 Y HN -0.077 nan 8.280 nan 0.000 0.599 8 F N -2.468 117.575 119.950 0.155 0.000 2.588 8 F HA 0.562 5.097 4.527 0.013 0.000 0.310 8 F C -0.840 174.990 175.800 0.049 0.000 1.082 8 F CA -1.494 56.554 58.000 0.079 0.000 0.929 8 F CB 0.726 39.757 39.000 0.050 0.000 1.254 8 F HN 0.156 nan 8.300 nan 0.000 0.455 9 Q N 0.825 120.763 119.800 0.230 0.000 2.392 9 Q HA 0.634 4.982 4.340 0.014 0.000 0.262 9 Q C 0.163 176.254 176.000 0.152 0.000 1.003 9 Q CA 0.304 56.153 55.803 0.076 0.000 0.888 9 Q CB 1.093 29.851 28.738 0.033 0.000 1.260 9 Q HN 1.258 nan 8.270 nan 0.000 0.435 10 G N 0.294 109.069 108.800 -0.041 0.000 2.677 10 G HA2 0.560 4.528 3.960 0.014 0.000 0.291 10 G HA3 0.560 4.528 3.960 0.014 0.000 0.291 10 G C -1.833 172.923 174.900 -0.239 0.000 1.435 10 G CA -0.754 44.359 45.100 0.022 0.000 0.826 10 G HN 0.734 nan 8.290 nan 0.000 0.491 11 H N -0.289 118.872 119.070 0.151 0.000 2.495 11 H HA 0.756 5.321 4.556 0.016 0.000 0.348 11 H C 0.533 175.952 175.328 0.153 0.000 1.113 11 H CA -0.466 55.641 56.048 0.099 0.000 1.195 11 H CB 1.867 31.630 29.762 0.002 0.000 1.521 11 H HN 0.636 nan 8.280 nan 0.000 0.509 12 M N 1.343 121.070 119.600 0.213 0.000 2.755 12 M HA 0.708 5.196 4.480 0.014 0.000 0.273 12 M C -1.235 175.184 176.300 0.199 0.000 1.278 12 M CA -1.388 54.040 55.300 0.213 0.000 0.819 12 M CB 2.339 35.053 32.600 0.190 0.000 1.694 12 M HN 0.368 nan 8.290 nan 0.000 0.460 13 V N -1.153 118.896 119.914 0.224 0.000 3.130 13 V HA 0.752 4.881 4.120 0.014 0.000 0.310 13 V C -1.390 174.849 176.094 0.242 0.000 1.158 13 V CA -0.870 61.575 62.300 0.242 0.000 1.029 13 V CB 2.428 34.390 31.823 0.232 0.000 1.057 13 V HN 0.780 nan 8.190 nan 0.000 0.436 14 I N 2.659 123.340 120.570 0.186 0.000 2.406 14 I HA 0.617 4.796 4.170 0.014 0.000 0.290 14 I C -0.502 175.703 176.117 0.147 0.000 0.999 14 I CA -0.751 60.583 61.300 0.057 0.000 1.124 14 I CB 1.180 39.112 38.000 -0.114 0.000 1.289 14 I HN 0.616 nan 8.210 nan 0.000 0.441 15 I N 4.394 125.079 120.570 0.192 0.000 2.534 15 I HA 0.233 4.412 4.170 0.014 0.000 0.288 15 I C -0.288 175.882 176.117 0.089 0.000 1.077 15 I CA -0.569 60.813 61.300 0.137 0.000 1.051 15 I CB 1.845 39.883 38.000 0.063 0.000 1.234 15 I HN 0.533 nan 8.210 nan 0.000 0.425 16 D N 4.627 125.036 120.400 0.015 0.000 2.697 16 D HA -0.261 4.388 4.640 0.014 0.000 0.235 16 D C 0.301 176.571 176.300 -0.050 0.000 1.167 16 D CA 1.151 55.144 54.000 -0.013 0.000 0.656 16 D CB -0.835 39.967 40.800 0.003 0.000 1.025 16 D HN 0.876 nan 8.370 nan 0.000 0.419 17 N N -1.438 117.215 118.700 -0.077 0.000 2.741 17 N HA -0.257 4.491 4.740 0.014 0.000 0.251 17 N C -0.767 174.619 175.510 -0.207 0.000 1.112 17 N CA 1.508 54.480 53.050 -0.130 0.000 0.750 17 N CB -0.368 38.068 38.487 -0.084 0.000 1.119 17 N HN 0.525 nan 8.380 nan 0.000 0.561 18 K N -0.030 120.239 120.400 -0.217 0.000 2.371 18 K HA 0.418 4.746 4.320 0.014 0.000 0.251 18 K C -1.147 175.261 176.600 -0.320 0.000 0.934 18 K CA -0.737 55.353 56.287 -0.328 0.000 0.798 18 K CB 1.224 33.395 32.500 -0.549 0.000 1.204 18 K HN 0.130 nan 8.250 nan 0.000 0.427 19 H N 1.083 120.001 119.070 -0.253 0.000 2.489 19 H HA 0.305 4.869 4.556 0.014 0.000 0.322 19 H C -1.134 174.024 175.328 -0.284 0.000 1.091 19 H CA -0.112 55.867 56.048 -0.114 0.000 1.291 19 H CB 0.464 30.197 29.762 -0.049 0.000 1.436 19 H HN 0.359 nan 8.280 nan 0.000 0.480 20 Y N 1.525 121.926 120.300 0.168 0.000 2.409 20 Y HA 0.302 4.861 4.550 0.014 0.000 0.343 20 Y C -0.592 175.385 175.900 0.128 0.000 0.973 20 Y CA -1.076 57.098 58.100 0.124 0.000 1.064 20 Y CB 1.495 39.988 38.460 0.055 0.000 1.207 20 Y HN 0.450 nan 8.280 nan 0.000 0.452 21 L N 4.150 125.519 121.223 0.243 0.000 2.275 21 L HA 0.468 4.816 4.340 0.014 0.000 0.288 21 L C -0.725 176.282 176.870 0.228 0.000 1.046 21 L CA -0.559 54.413 54.840 0.219 0.000 0.805 21 L CB 0.254 42.412 42.059 0.165 0.000 1.193 21 L HN 0.564 nan 8.230 nan 0.000 0.426 22 F N 5.639 125.663 119.950 0.123 0.000 2.572 22 F HA 0.151 4.687 4.527 0.014 0.000 0.370 22 F C 0.564 176.414 175.800 0.084 0.000 1.103 22 F CA 0.294 58.342 58.000 0.080 0.000 1.286 22 F CB 0.510 39.557 39.000 0.079 0.000 1.105 22 F HN 0.452 nan 8.300 nan 0.000 0.583 23 I N 2.566 122.619 120.570 -0.862 0.000 3.534 23 I HA 0.110 4.288 4.170 0.014 0.000 0.251 23 I C -0.041 175.497 176.117 -0.966 0.000 1.136 23 I CA 0.612 61.542 61.300 -0.617 0.000 1.475 23 I CB -0.722 37.091 38.000 -0.312 0.000 1.526 23 I HN 0.677 nan 8.210 nan 0.000 0.454 24 Q N 0.695 119.841 119.800 -1.091 0.000 2.575 24 Q HA 0.540 4.888 4.340 0.014 0.000 0.290 24 Q C -0.800 174.981 176.000 -0.365 0.000 0.963 24 Q CA -0.887 54.534 55.803 -0.638 0.000 0.783 24 Q CB 1.732 30.299 28.738 -0.285 0.000 1.467 24 Q HN 0.033 nan 8.270 nan 0.000 0.402 25 K N 1.539 121.935 120.400 -0.007 0.000 2.368 25 K HA 0.337 4.665 4.320 0.014 0.000 0.282 25 K C 0.169 176.765 176.600 -0.007 0.000 1.035 25 K CA -0.075 56.240 56.287 0.047 0.000 0.973 25 K CB 0.039 32.577 32.500 0.063 0.000 0.957 25 K HN 0.614 nan 8.250 nan 0.000 0.474 26 L N 0.820 122.046 121.223 0.006 0.000 2.357 26 L HA 0.342 4.690 4.340 0.014 0.000 0.211 26 L C 1.281 178.189 176.870 0.063 0.000 1.075 26 L CA 0.998 55.856 54.840 0.030 0.000 0.830 26 L CB 0.479 42.566 42.059 0.046 0.000 0.996 26 L HN 1.067 nan 8.230 nan 0.000 0.467 27 G N -0.243 108.598 108.800 0.069 0.000 2.368 27 G HA2 0.190 4.158 3.960 0.014 0.000 0.269 27 G HA3 0.190 4.158 3.960 0.014 0.000 0.269 27 G C -1.783 173.172 174.900 0.090 0.000 1.291 27 G CA -0.185 44.965 45.100 0.082 0.000 0.903 27 G HN 0.079 nan 8.290 nan 0.000 0.483 32 S N 0.120 115.258 115.700 -0.937 0.000 2.556 32 S HA 0.704 5.183 4.470 0.014 0.000 0.271 32 S C -1.531 172.671 174.600 -0.664 0.000 1.135 32 S CA -0.596 57.168 58.200 -0.727 0.000 0.858 32 S CB 2.069 64.950 63.200 -0.532 0.000 1.114 32 S HN 0.326 nan 8.310 nan 0.000 0.468 33 Y N 0.017 120.212 120.300 -0.175 0.000 2.496 33 Y HA 0.739 5.294 4.550 0.009 0.000 0.331 33 Y C -0.221 175.617 175.900 -0.103 0.000 1.140 33 Y CA -1.287 56.741 58.100 -0.120 0.000 1.166 33 Y CB 1.814 40.232 38.460 -0.069 0.000 1.249 33 Y HN 0.529 nan 8.280 nan 0.000 0.479 34 V N 2.117 122.102 119.914 0.117 0.000 2.531 34 V HA 0.329 4.458 4.120 0.014 0.000 0.301 34 V C -1.100 175.018 176.094 0.041 0.000 1.034 34 V CA -0.882 61.447 62.300 0.048 0.000 0.865 34 V CB 1.718 33.568 31.823 0.045 0.000 0.995 34 V HN 0.703 nan 8.190 nan 0.000 0.424 35 D N 3.023 123.423 120.400 -0.000 0.000 2.350 35 D HA 0.484 5.133 4.640 0.014 0.000 0.245 35 D C -0.647 175.598 176.300 -0.091 0.000 1.036 35 D CA -0.466 53.532 54.000 -0.003 0.000 0.848 35 D CB 2.744 43.594 40.800 0.083 0.000 1.307 35 D HN 0.385 nan 8.370 nan 0.000 0.469 36 L N 2.878 123.977 121.223 -0.207 0.000 2.313 36 L HA 0.378 4.727 4.340 0.014 0.000 0.282 36 L C -0.598 176.130 176.870 -0.236 0.000 1.092 36 L CA -0.270 54.389 54.840 -0.302 0.000 0.831 36 L CB 0.649 42.420 42.059 -0.479 0.000 1.159 36 L HN 0.249 nan 8.230 nan 0.000 0.442 37 V N 1.963 121.843 119.914 -0.056 0.000 3.040 37 V HA 0.691 4.819 4.120 0.014 0.000 0.312 37 V C -0.752 175.475 176.094 0.221 0.000 1.115 37 V CA -0.849 61.498 62.300 0.077 0.000 0.998 37 V CB 1.818 33.708 31.823 0.113 0.000 1.042 37 V HN 0.853 nan 8.190 nan 0.000 0.433 38 E N 1.641 121.948 120.200 0.179 0.000 2.176 38 E HA 0.627 4.986 4.350 0.014 0.000 0.267 38 E C 0.010 176.659 176.600 0.082 0.000 0.893 38 E CA -0.631 55.754 56.400 -0.025 0.000 0.761 38 E CB 1.782 31.370 29.700 -0.187 0.000 1.133 38 E HN 1.230 nan 8.360 nan 0.000 0.409 39 G N 4.056 112.903 108.800 0.078 0.000 2.364 39 G HA2 0.220 4.189 3.960 0.014 0.000 0.267 39 G HA3 0.220 4.189 3.960 0.014 0.000 0.267 39 G C 0.572 175.256 174.900 -0.359 0.000 1.233 39 G CA -0.358 44.640 45.100 -0.169 0.000 0.885 39 G HN 0.646 nan 8.290 nan 0.000 0.490 40 L N 2.275 123.368 121.223 -0.217 0.000 2.509 40 L HA 0.068 4.417 4.340 0.014 0.000 0.222 40 L C 2.369 179.170 176.870 -0.115 0.000 1.123 40 L CA 0.107 54.867 54.840 -0.133 0.000 0.856 40 L CB -0.215 41.813 42.059 -0.050 0.000 0.985 40 L HN 0.769 nan 8.230 nan 0.000 0.456 41 H N -0.405 118.568 119.070 -0.163 0.000 2.372 41 H HA -0.046 4.518 4.556 0.014 0.000 0.301 41 H C 1.021 176.270 175.328 -0.133 0.000 1.065 41 H CA 1.483 57.458 56.048 -0.122 0.000 1.364 41 H CB -0.158 29.540 29.762 -0.107 0.000 1.406 41 H HN 0.441 nan 8.280 nan 0.000 0.521 42 D N -1.580 118.396 120.400 -0.706 0.000 2.500 42 D HA 0.141 4.789 4.640 0.014 0.000 0.218 42 D C 1.678 177.575 176.300 -0.670 0.000 1.140 42 D CA 0.680 54.332 54.000 -0.580 0.000 0.830 42 D CB 0.132 40.604 40.800 -0.547 0.000 1.055 42 D HN 0.512 nan 8.370 nan 0.000 0.512 43 G N 0.032 108.502 108.800 -0.550 0.000 2.225 43 G HA2 -0.286 3.682 3.960 0.014 0.000 0.254 43 G HA3 -0.286 3.682 3.960 0.014 0.000 0.254 43 G C 0.118 174.717 174.900 -0.502 0.000 0.988 43 G CA 0.353 45.183 45.100 -0.449 0.000 0.625 43 G HN 0.605 nan 8.290 nan 0.000 0.527 44 H N -0.767 118.079 119.070 -0.373 0.000 2.607 44 H HA 0.568 5.132 4.556 0.014 0.000 0.367 44 H C 0.032 174.951 175.328 -0.682 0.000 1.181 44 H CA -0.350 55.442 56.048 -0.427 0.000 1.402 44 H CB 0.536 30.100 29.762 -0.330 0.000 1.474 44 H HN 0.151 nan 8.280 nan 0.000 0.596 45 F N 0.701 120.518 119.950 -0.221 0.000 2.432 45 F HA 0.351 4.887 4.527 0.014 0.000 0.329 45 F C -0.551 174.949 175.800 -0.499 0.000 1.076 45 F CA -0.402 57.456 58.000 -0.236 0.000 1.018 45 F CB 0.878 39.793 39.000 -0.141 0.000 1.201 45 F HN 0.406 nan 8.300 nan 0.000 0.489 46 Y N 0.036 120.432 120.300 0.159 0.000 2.588 46 Y HA 0.665 5.223 4.550 0.014 0.000 0.343 46 Y C -0.551 175.342 175.900 -0.012 0.000 1.065 46 Y CA -1.682 56.468 58.100 0.082 0.000 1.038 46 Y CB 1.732 40.213 38.460 0.035 0.000 1.297 46 Y HN 0.598 nan 8.280 nan 0.000 0.467 47 A N 2.130 125.062 122.820 0.186 0.000 2.258 47 A HA 0.655 4.983 4.320 0.014 0.000 0.316 47 A C -1.707 175.892 177.584 0.024 0.000 1.279 47 A CA -0.520 51.571 52.037 0.091 0.000 0.876 47 A CB 0.438 19.531 19.000 0.156 0.000 1.170 47 A HN 0.618 nan 8.150 nan 0.000 0.520 48 L N 2.873 124.061 121.223 -0.057 0.000 2.277 48 L HA 0.443 4.792 4.340 0.014 0.000 0.284 48 L C 0.080 176.864 176.870 -0.143 0.000 1.028 48 L CA -0.116 54.625 54.840 -0.164 0.000 0.835 48 L CB 0.862 42.737 42.059 -0.306 0.000 1.215 48 L HN 0.624 nan 8.230 nan 0.000 0.425 49 K N 5.838 126.185 120.400 -0.089 0.000 2.248 49 K HA 0.468 4.797 4.320 0.014 0.000 0.281 49 K C -0.842 175.738 176.600 -0.034 0.000 1.054 49 K CA -0.510 55.754 56.287 -0.039 0.000 0.903 49 K CB 0.575 33.082 32.500 0.011 0.000 1.077 49 K HN 0.661 nan 8.250 nan 0.000 0.474 50 R N 5.117 125.603 120.500 -0.024 0.000 2.393 50 R HA 0.413 4.762 4.340 0.014 0.000 0.315 50 R C -0.493 175.838 176.300 0.053 0.000 0.952 50 R CA -0.644 55.504 56.100 0.081 0.000 0.842 50 R CB 1.197 31.524 30.300 0.045 0.000 1.163 50 R HN 0.522 nan 8.270 nan 0.000 0.450 51 I N 4.175 124.813 120.570 0.113 0.000 2.336 51 I HA 0.201 4.380 4.170 0.014 0.000 0.292 51 I C -0.411 175.723 176.117 0.028 0.000 0.991 51 I CA -1.073 60.248 61.300 0.036 0.000 1.227 51 I CB 1.361 39.414 38.000 0.088 0.000 1.366 51 I HN 0.248 nan 8.210 nan 0.000 0.466 52 L N 6.568 127.769 121.223 -0.037 0.000 2.319 52 L HA 0.254 4.603 4.340 0.014 0.000 0.280 52 L C -0.493 176.290 176.870 -0.146 0.000 1.099 52 L CA 0.296 55.088 54.840 -0.081 0.000 0.828 52 L CB 0.765 42.782 42.059 -0.069 0.000 1.150 52 L HN 0.609 nan 8.230 nan 0.000 0.442 53 C N 3.104 122.256 119.300 -0.246 0.000 2.322 53 C HA 0.429 4.897 4.460 0.014 0.000 0.324 53 C C 1.216 175.918 174.990 -0.479 0.000 1.284 53 C CA -0.525 58.355 59.018 -0.230 0.000 1.606 53 C CB 0.522 28.208 27.740 -0.089 0.000 2.251 53 C HN 0.813 nan 8.230 nan 0.000 0.502 54 H N -0.137 118.941 119.070 0.012 0.000 2.788 54 H HA 0.250 4.817 4.556 0.017 0.000 0.262 54 H C 0.424 175.729 175.328 -0.038 0.000 0.968 54 H CA 0.370 56.413 56.048 -0.009 0.000 1.218 54 H CB 0.906 30.674 29.762 0.011 0.000 1.443 54 H HN 0.635 nan 8.280 nan 0.000 0.478 55 E N 0.627 120.861 120.200 0.056 0.000 2.378 55 E HA 0.097 4.455 4.350 0.014 0.000 0.265 55 E C 0.551 177.146 176.600 -0.008 0.000 0.932 55 E CA -0.565 55.846 56.400 0.018 0.000 0.795 55 E CB 2.258 31.983 29.700 0.042 0.000 1.296 55 E HN -0.041 nan 8.360 nan 0.000 0.438 56 Q N 0.729 120.522 119.800 -0.011 0.000 2.124 56 Q HA -0.196 4.153 4.340 0.014 0.000 0.202 56 Q C 1.603 177.612 176.000 0.015 0.000 0.977 56 Q CA 2.030 57.829 55.803 -0.007 0.000 0.850 56 Q CB -0.012 28.722 28.738 -0.006 0.000 0.901 56 Q HN 0.441 nan 8.270 nan 0.000 0.429 57 Q N 0.251 120.065 119.800 0.023 0.000 2.173 57 Q HA -0.196 4.153 4.340 0.014 0.000 0.208 57 Q C 1.522 177.550 176.000 0.047 0.000 0.989 57 Q CA 1.808 57.632 55.803 0.036 0.000 0.872 57 Q CB -0.115 28.647 28.738 0.040 0.000 0.909 57 Q HN 0.509 nan 8.270 nan 0.000 0.420 58 D N -0.394 120.034 120.400 0.047 0.000 2.123 58 D HA -0.088 4.561 4.640 0.014 0.000 0.200 58 D C 1.753 178.092 176.300 0.066 0.000 0.976 58 D CA 0.862 54.898 54.000 0.059 0.000 0.831 58 D CB -0.169 40.660 40.800 0.048 0.000 0.974 58 D HN 0.199 nan 8.370 nan 0.000 0.469 59 R N 0.648 121.179 120.500 0.051 0.000 2.096 59 R HA -0.093 4.256 4.340 0.014 0.000 0.235 59 R C 2.161 178.516 176.300 0.091 0.000 1.127 59 R CA 1.023 57.169 56.100 0.076 0.000 0.968 59 R CB -0.013 30.317 30.300 0.049 0.000 0.861 59 R HN 0.334 nan 8.270 nan 0.000 0.440 60 E N -0.248 119.989 120.200 0.061 0.000 2.046 60 E HA -0.141 4.218 4.350 0.014 0.000 0.190 60 E C 2.104 178.734 176.600 0.050 0.000 0.982 60 E CA 1.102 57.531 56.400 0.048 0.000 0.800 60 E CB 0.112 29.834 29.700 0.037 0.000 0.756 60 E HN 0.159 nan 8.360 nan 0.000 0.449 61 E N 0.174 120.412 120.200 0.063 0.000 2.160 61 E HA -0.194 4.164 4.350 0.014 0.000 0.195 61 E C 1.884 178.530 176.600 0.078 0.000 0.991 61 E CA 0.910 57.352 56.400 0.071 0.000 0.810 61 E CB -0.323 29.427 29.700 0.084 0.000 0.742 61 E HN 0.455 nan 8.360 nan 0.000 0.466 62 A N 0.075 122.958 122.820 0.104 0.000 1.898 62 A HA -0.120 4.208 4.320 0.014 0.000 0.214 62 A C 2.217 179.822 177.584 0.035 0.000 1.183 62 A CA 1.056 53.182 52.037 0.148 0.000 0.622 62 A CB -0.372 18.782 19.000 0.257 0.000 0.824 62 A HN 0.228 nan 8.150 nan 0.000 0.444 63 Q N -0.114 119.680 119.800 -0.011 0.000 2.077 63 Q HA -0.215 4.133 4.340 0.014 0.000 0.206 63 Q C 2.285 178.175 176.000 -0.183 0.000 0.989 63 Q CA 1.660 57.327 55.803 -0.227 0.000 0.853 63 Q CB -0.416 28.276 28.738 -0.077 0.000 0.907 63 Q HN 0.650 nan 8.270 nan 0.000 0.418 64 R N 0.359 120.821 120.500 -0.063 0.000 2.080 64 R HA -0.189 4.160 4.340 0.014 0.000 0.236 64 R C 2.165 178.442 176.300 -0.038 0.000 1.137 64 R CA 1.857 57.935 56.100 -0.037 0.000 0.943 64 R CB -0.238 30.069 30.300 0.010 0.000 0.846 64 R HN 0.366 nan 8.270 nan 0.000 0.431 65 E N -0.286 119.916 120.200 0.003 0.000 2.038 65 E HA -0.208 4.150 4.350 0.014 0.000 0.195 65 E C 1.840 178.512 176.600 0.119 0.000 1.000 65 E CA 1.429 57.868 56.400 0.065 0.000 0.803 65 E CB -0.167 29.607 29.700 0.123 0.000 0.750 65 E HN 0.413 nan 8.360 nan 0.000 0.448 66 A N 1.272 124.086 122.820 -0.010 0.000 1.927 66 A HA -0.279 4.050 4.320 0.014 0.000 0.220 66 A C 1.841 179.397 177.584 -0.045 0.000 1.185 66 A CA 2.219 54.205 52.037 -0.084 0.000 0.639 66 A CB -0.772 17.892 19.000 -0.560 0.000 0.820 66 A HN 0.357 nan 8.150 nan 0.000 0.451 67 D N -0.731 119.601 120.400 -0.112 0.000 2.144 67 D HA -0.119 4.529 4.640 0.014 0.000 0.200 67 D C 1.979 178.220 176.300 -0.099 0.000 0.978 67 D CA 1.108 55.049 54.000 -0.099 0.000 0.833 67 D CB -0.324 40.411 40.800 -0.109 0.000 0.961 67 D HN 0.283 nan 8.370 nan 0.000 0.470 68 M N 0.242 119.782 119.600 -0.100 0.000 2.108 68 M HA -0.137 4.352 4.480 0.014 0.000 0.261 68 M C 2.013 178.278 176.300 -0.059 0.000 1.066 68 M CA 1.358 56.562 55.300 -0.160 0.000 1.107 68 M CB -1.358 31.136 32.600 -0.177 0.000 1.356 68 M HN 0.238 nan 8.290 nan 0.000 0.406 69 H N 0.497 119.589 119.070 0.036 0.000 2.387 69 H HA -0.075 4.489 4.556 0.014 0.000 0.299 69 H C 1.871 177.255 175.328 0.095 0.000 1.099 69 H CA 1.526 57.642 56.048 0.114 0.000 1.315 69 H CB -0.095 29.720 29.762 0.088 0.000 1.380 69 H HN 0.485 nan 8.280 nan 0.000 0.513 70 R N 0.734 121.298 120.500 0.107 0.000 2.317 70 R HA 0.103 4.452 4.340 0.014 0.000 0.208 70 R C 1.878 178.126 176.300 -0.087 0.000 0.914 70 R CA 0.034 56.156 56.100 0.036 0.000 1.060 70 R CB -0.225 30.092 30.300 0.027 0.000 1.015 70 R HN 0.217 nan 8.270 nan 0.000 0.498 71 L N 0.461 121.533 121.223 -0.251 0.000 2.265 71 L HA 0.044 4.392 4.340 0.014 0.000 0.215 71 L C 0.054 176.507 176.870 -0.696 0.000 1.117 71 L CA 1.172 55.666 54.840 -0.577 0.000 0.782 71 L CB -0.052 41.395 42.059 -1.019 0.000 0.914 71 L HN 0.078 nan 8.230 nan 0.000 0.441 72 F N -1.759 118.204 119.950 0.020 0.000 2.563 72 F HA 0.323 4.858 4.527 0.014 0.000 0.316 72 F C 0.223 176.076 175.800 0.088 0.000 1.076 72 F CA -1.004 57.029 58.000 0.055 0.000 0.921 72 F CB 1.149 40.174 39.000 0.041 0.000 1.209 72 F HN -0.291 nan 8.300 nan 0.000 0.462 73 N N 1.205 120.087 118.700 0.302 0.000 2.765 73 N HA 0.089 4.837 4.740 0.014 0.000 0.277 73 N C -1.682 173.956 175.510 0.213 0.000 1.750 73 N CA -0.204 52.975 53.050 0.215 0.000 0.827 73 N CB 0.062 38.631 38.487 0.137 0.000 1.200 73 N HN 0.641 nan 8.380 nan 0.000 0.494 74 H N 1.274 120.423 119.070 0.132 0.000 2.637 74 H HA 0.417 4.981 4.556 0.014 0.000 0.363 74 H C -1.967 173.389 175.328 0.046 0.000 1.131 74 H CA -1.698 54.394 56.048 0.073 0.000 1.183 74 H CB 2.539 32.325 29.762 0.039 0.000 1.637 74 H HN 0.181 nan 8.280 nan 0.000 0.531 75 P HA -0.061 nan 4.420 nan 0.000 0.222 75 P C -0.052 177.321 177.300 0.122 0.000 1.147 75 P CA 0.966 64.087 63.100 0.034 0.000 0.790 75 P CB 0.434 32.094 31.700 -0.067 0.000 0.780 76 N N -0.484 118.417 118.700 0.335 0.000 2.279 76 N HA 0.243 4.992 4.740 0.014 0.000 0.226 76 N C -0.082 175.419 175.510 -0.015 0.000 1.126 76 N CA -0.053 53.053 53.050 0.093 0.000 0.846 76 N CB 0.102 38.602 38.487 0.021 0.000 1.050 76 N HN 0.180 nan 8.380 nan 0.000 0.502 77 I N 0.980 121.584 120.570 0.057 0.000 2.512 77 I HA 0.164 4.343 4.170 0.014 0.000 0.287 77 I C -0.877 175.316 176.117 0.128 0.000 1.069 77 I CA -1.146 60.148 61.300 -0.009 0.000 1.056 77 I CB 1.990 39.896 38.000 -0.157 0.000 1.229 77 I HN -0.092 nan 8.210 nan 0.000 0.429 78 L N 7.590 128.916 121.223 0.172 0.000 2.601 78 L HA 0.065 4.414 4.340 0.014 0.000 0.277 78 L C 0.746 177.830 176.870 0.357 0.000 1.219 78 L CA 0.613 55.634 54.840 0.302 0.000 0.915 78 L CB -0.001 42.271 42.059 0.355 0.000 1.160 78 L HN 0.664 nan 8.230 nan 0.000 0.494 79 R N 4.282 124.961 120.500 0.297 0.000 2.528 79 R HA 0.545 4.893 4.340 0.014 0.000 0.271 79 R C -0.887 175.524 176.300 0.185 0.000 1.056 79 R CA -0.985 55.272 56.100 0.263 0.000 1.117 79 R CB 0.755 31.182 30.300 0.210 0.000 1.085 79 R HN 0.548 nan 8.270 nan 0.000 0.530 80 L N 3.516 124.824 121.223 0.142 0.000 2.257 80 L HA 0.176 4.525 4.340 0.014 0.000 0.290 80 L C 0.392 177.308 176.870 0.077 0.000 1.044 80 L CA -0.144 54.715 54.840 0.031 0.000 0.810 80 L CB 1.844 43.915 42.059 0.021 0.000 1.193 80 L HN 0.723 nan 8.230 nan 0.000 0.425 81 V N 4.469 124.424 119.914 0.068 0.000 2.407 81 V HA 0.356 4.484 4.120 0.014 0.000 0.245 81 V C 0.910 177.032 176.094 0.047 0.000 1.041 81 V CA 1.144 63.491 62.300 0.079 0.000 1.040 81 V CB -0.756 31.111 31.823 0.075 0.000 0.671 81 V HN 0.914 nan 8.190 nan 0.000 0.455 82 A N -1.568 121.270 122.820 0.030 0.000 2.605 82 A HA 0.675 5.003 4.320 0.014 0.000 0.294 82 A C -2.054 175.604 177.584 0.122 0.000 1.062 82 A CA -0.398 51.673 52.037 0.056 0.000 0.682 82 A CB 1.244 20.247 19.000 0.004 0.000 1.278 82 A HN 0.149 nan 8.150 nan 0.000 0.410 83 Y N 0.843 121.150 120.300 0.011 0.000 2.409 83 Y HA 0.659 5.217 4.550 0.014 0.000 0.343 83 Y C -0.142 175.773 175.900 0.025 0.000 0.973 83 Y CA -0.630 57.487 58.100 0.028 0.000 1.064 83 Y CB 1.810 40.282 38.460 0.021 0.000 1.207 83 Y HN 1.565 nan 8.280 nan 0.000 0.452 84 C N 4.674 123.580 119.300 -0.657 0.000 3.321 84 C HA 0.756 5.224 4.460 0.014 0.000 0.329 84 C C -1.820 172.725 174.990 -0.740 0.000 1.394 84 C CA -1.532 57.111 59.018 -0.625 0.000 1.291 84 C CB 0.881 28.440 27.740 -0.302 0.000 1.606 84 C HN 0.909 nan 8.230 nan 0.000 0.463 85 L N 1.953 122.842 121.223 -0.556 0.000 2.307 85 L HA 0.747 5.095 4.340 0.014 0.000 0.284 85 L C -0.051 176.500 176.870 -0.531 0.000 1.023 85 L CA -0.429 54.126 54.840 -0.475 0.000 0.810 85 L CB 1.265 43.165 42.059 -0.265 0.000 1.231 85 L HN 0.665 nan 8.230 nan 0.000 0.423 86 R N 2.856 122.977 120.500 -0.632 0.000 2.628 86 R HA 0.486 4.835 4.340 0.014 0.000 0.288 86 R C -1.080 174.963 176.300 -0.429 0.000 0.980 86 R CA -0.667 55.046 56.100 -0.645 0.000 0.891 86 R CB 2.686 32.298 30.300 -1.146 0.000 1.188 86 R HN 0.797 nan 8.270 nan 0.000 0.450 87 E N 1.381 121.358 120.200 -0.372 0.000 2.367 87 E HA 0.613 4.971 4.350 0.014 0.000 0.273 87 E C -1.149 175.261 176.600 -0.317 0.000 0.903 87 E CA -1.050 55.080 56.400 -0.450 0.000 0.764 87 E CB 3.070 32.332 29.700 -0.730 0.000 1.252 87 E HN 0.383 nan 8.360 nan 0.000 0.446 88 R N 1.900 122.229 120.500 -0.284 0.000 2.569 88 R HA 0.427 4.775 4.340 0.014 0.000 0.293 88 R C 0.270 176.492 176.300 -0.130 0.000 1.186 88 R CA 0.535 56.537 56.100 -0.163 0.000 0.956 88 R CB 1.035 31.281 30.300 -0.091 0.000 1.196 88 R HN 0.997 nan 8.270 nan 0.000 0.444 89 G N 2.516 111.254 108.800 -0.105 0.000 2.591 89 G HA2 -0.449 3.520 3.960 0.014 0.000 0.298 89 G HA3 -0.449 3.520 3.960 0.014 0.000 0.298 89 G C 0.707 175.578 174.900 -0.049 0.000 1.195 89 G CA 0.454 45.523 45.100 -0.052 0.000 0.989 89 G HN 0.830 nan 8.290 nan 0.000 0.551 90 A N -0.303 122.528 122.820 0.018 0.000 2.072 90 A HA 0.451 4.779 4.320 0.014 0.000 0.216 90 A C 1.666 179.343 177.584 0.156 0.000 1.156 90 A CA 2.225 54.331 52.037 0.116 0.000 0.701 90 A CB -0.237 18.828 19.000 0.109 0.000 0.816 90 A HN 1.566 nan 8.150 nan 0.000 0.458 91 K N 1.213 121.623 120.400 0.016 0.000 2.402 91 K HA 0.205 4.533 4.320 0.014 0.000 0.285 91 K C -1.306 175.199 176.600 -0.158 0.000 1.054 91 K CA 0.013 56.303 56.287 0.005 0.000 1.001 91 K CB -0.726 31.775 32.500 0.002 0.000 0.946 91 K HN 0.648 nan 8.250 nan 0.000 0.473 92 H N 2.220 121.239 119.070 -0.086 0.000 2.529 92 H HA 0.487 5.051 4.556 0.013 0.000 0.348 92 H C -0.480 174.773 175.328 -0.125 0.000 1.079 92 H CA -0.644 55.334 56.048 -0.116 0.000 1.198 92 H CB 1.499 31.192 29.762 -0.115 0.000 1.521 92 H HN 0.760 nan 8.280 nan 0.000 0.514 93 E N 0.987 121.151 120.200 -0.061 0.000 2.393 93 E HA 0.760 5.118 4.350 0.014 0.000 0.273 93 E C -1.163 175.342 176.600 -0.159 0.000 0.918 93 E CA -1.324 55.049 56.400 -0.046 0.000 0.773 93 E CB 2.738 32.495 29.700 0.095 0.000 1.275 93 E HN 0.619 nan 8.360 nan 0.000 0.451 94 A N 1.697 124.501 122.820 -0.026 0.000 2.331 94 A HA 0.639 4.968 4.320 0.014 0.000 0.320 94 A C -1.729 175.971 177.584 0.192 0.000 1.138 94 A CA -0.589 51.408 52.037 -0.067 0.000 0.790 94 A CB 0.667 19.696 19.000 0.049 0.000 1.206 94 A HN 0.436 nan 8.150 nan 0.000 0.470 95 W N 2.252 123.434 121.300 -0.198 0.000 2.532 95 W HA 0.586 5.253 4.660 0.012 0.000 0.321 95 W C -0.867 175.604 176.519 -0.079 0.000 1.037 95 W CA -1.093 56.176 57.345 -0.127 0.000 1.220 95 W CB 1.346 30.712 29.460 -0.157 0.000 1.361 95 W HN 0.443 nan 8.180 nan 0.000 0.468 96 L N 5.525 126.865 121.223 0.195 0.000 2.298 96 L HA 0.407 4.755 4.340 0.014 0.000 0.284 96 L C -0.404 176.473 176.870 0.011 0.000 1.013 96 L CA -1.179 53.739 54.840 0.129 0.000 0.824 96 L CB 1.347 43.458 42.059 0.086 0.000 1.221 96 L HN 0.131 nan 8.230 nan 0.000 0.418 97 L N 5.106 126.315 121.223 -0.024 0.000 2.276 97 L HA 0.577 4.926 4.340 0.014 0.000 0.286 97 L C -0.609 176.246 176.870 -0.025 0.000 1.061 97 L CA 0.244 55.023 54.840 -0.102 0.000 0.807 97 L CB 1.002 42.918 42.059 -0.238 0.000 1.177 97 L HN 0.435 nan 8.230 nan 0.000 0.429 98 L N 5.388 126.638 121.223 0.045 0.000 2.376 98 L HA 0.660 5.008 4.340 0.014 0.000 0.258 98 L C -2.318 174.667 176.870 0.192 0.000 1.013 98 L CA -2.112 52.785 54.840 0.094 0.000 0.822 98 L CB 1.905 43.992 42.059 0.047 0.000 1.388 98 L HN 0.420 nan 8.230 nan 0.000 0.413 99 P HA 0.018 nan 4.420 nan 0.000 0.269 99 P C -1.244 175.852 177.300 -0.339 0.000 1.215 99 P CA 0.055 63.057 63.100 -0.164 0.000 0.780 99 P CB 0.316 31.813 31.700 -0.338 0.000 0.898 100 F N 3.286 122.912 119.950 -0.541 0.000 2.427 100 F HA 0.508 5.044 4.527 0.014 0.000 0.346 100 F C -1.130 174.349 175.800 -0.535 0.000 1.120 100 F CA -1.104 56.653 58.000 -0.406 0.000 1.033 100 F CB 0.277 39.180 39.000 -0.163 0.000 1.126 100 F HN 0.129 nan 8.300 nan 0.000 0.462 101 F N 7.054 126.605 119.950 -0.665 0.000 2.308 101 F HA 0.259 4.794 4.527 0.014 0.000 0.370 101 F C 1.233 176.463 175.800 -0.950 0.000 1.100 101 F CA -0.744 56.889 58.000 -0.611 0.000 1.108 101 F CB 1.220 40.063 39.000 -0.261 0.000 1.293 101 F HN 0.589 nan 8.300 nan 0.000 0.478 102 K N 2.077 121.974 120.400 -0.839 0.000 2.281 102 K HA -0.148 4.180 4.320 0.014 0.000 0.203 102 K C 1.304 177.764 176.600 -0.235 0.000 1.046 102 K CA 1.366 57.286 56.287 -0.611 0.000 0.938 102 K CB -0.033 32.319 32.500 -0.247 0.000 0.737 102 K HN 0.502 nan 8.250 nan 0.000 0.458 103 R N 0.758 121.170 120.500 -0.147 0.000 2.236 103 R HA 0.078 4.426 4.340 0.014 0.000 0.208 103 R C 1.149 177.421 176.300 -0.048 0.000 1.036 103 R CA 0.502 56.559 56.100 -0.071 0.000 1.001 103 R CB -0.172 30.097 30.300 -0.051 0.000 0.896 103 R HN 0.535 nan 8.270 nan 0.000 0.464 104 G N -0.047 108.723 108.800 -0.049 0.000 2.528 104 G HA2 -0.343 3.625 3.960 0.014 0.000 0.262 104 G HA3 -0.343 3.625 3.960 0.014 0.000 0.262 104 G C -0.091 174.821 174.900 0.019 0.000 1.200 104 G CA 0.052 45.157 45.100 0.008 0.000 0.951 104 G HN 0.277 nan 8.290 nan 0.000 0.566 105 T N -0.569 114.014 114.554 0.047 0.000 2.944 105 T HA 0.512 4.870 4.350 0.014 0.000 0.284 105 T C 1.609 176.344 174.700 0.057 0.000 1.010 105 T CA 0.438 62.577 62.100 0.065 0.000 1.025 105 T CB 1.307 70.248 68.868 0.120 0.000 1.079 105 T HN 1.353 nan 8.240 nan 0.000 0.516 106 L N 2.661 123.923 121.223 0.065 0.000 2.141 106 L HA 0.122 4.471 4.340 0.014 0.000 0.209 106 L C 2.041 178.990 176.870 0.132 0.000 1.094 106 L CA 1.620 56.501 54.840 0.068 0.000 0.763 106 L CB -0.636 41.458 42.059 0.057 0.000 0.908 106 L HN 0.802 nan 8.230 nan 0.000 0.437 107 W N 1.154 122.449 121.300 -0.008 0.000 2.358 107 W HA -0.288 4.380 4.660 0.014 0.000 0.303 107 W C 1.953 178.484 176.519 0.020 0.000 1.208 107 W CA 1.658 59.011 57.345 0.013 0.000 1.274 107 W CB -0.214 29.252 29.460 0.009 0.000 1.138 107 W HN 0.615 nan 8.180 nan 0.000 0.515 108 N N 0.540 119.190 118.700 -0.083 0.000 2.409 108 N HA -0.205 4.544 4.740 0.014 0.000 0.179 108 N C 1.298 176.692 175.510 -0.193 0.000 1.032 108 N CA 1.620 54.548 53.050 -0.203 0.000 0.898 108 N CB -0.989 37.477 38.487 -0.034 0.000 0.971 108 N HN 0.102 nan 8.380 nan 0.000 0.441 109 E N 1.523 121.648 120.200 -0.126 0.000 2.106 109 E HA -0.082 4.277 4.350 0.014 0.000 0.192 109 E C 1.747 178.247 176.600 -0.167 0.000 0.984 109 E CA 1.212 57.544 56.400 -0.114 0.000 0.806 109 E CB -0.347 29.320 29.700 -0.055 0.000 0.750 109 E HN 0.676 nan 8.360 nan 0.000 0.458 110 I N -2.403 118.034 120.570 -0.223 0.000 3.251 110 I HA 0.067 4.245 4.170 0.014 0.000 0.277 110 I C 1.492 177.361 176.117 -0.414 0.000 1.268 110 I CA 0.818 61.969 61.300 -0.248 0.000 1.449 110 I CB -0.205 37.729 38.000 -0.110 0.000 1.083 110 I HN -0.017 nan 8.210 nan 0.000 0.464 111 E N 1.594 121.439 120.200 -0.593 0.000 2.076 111 E HA -0.131 4.227 4.350 0.014 0.000 0.190 111 E C 2.228 178.655 176.600 -0.287 0.000 0.979 111 E CA 0.361 56.462 56.400 -0.498 0.000 0.807 111 E CB -0.095 29.266 29.700 -0.565 0.000 0.761 111 E HN 0.402 nan 8.360 nan 0.000 0.454 112 R N 1.122 121.480 120.500 -0.237 0.000 2.119 112 R HA -0.202 4.147 4.340 0.014 0.000 0.246 112 R C 2.192 178.394 176.300 -0.164 0.000 1.146 112 R CA 1.320 57.323 56.100 -0.161 0.000 0.962 112 R CB -0.275 29.950 30.300 -0.126 0.000 0.863 112 R HN 0.178 nan 8.270 nan 0.000 0.442 113 L N 0.001 121.111 121.223 -0.188 0.000 2.072 113 L HA -0.112 4.236 4.340 0.014 0.000 0.205 113 L C 2.790 179.481 176.870 -0.299 0.000 1.079 113 L CA 1.370 56.084 54.840 -0.211 0.000 0.752 113 L CB -0.450 41.495 42.059 -0.191 0.000 0.906 113 L HN 0.043 nan 8.230 nan 0.000 0.436 114 K N -0.272 119.935 120.400 -0.321 0.000 2.283 114 K HA -0.144 4.185 4.320 0.014 0.000 0.202 114 K C 1.339 177.798 176.600 -0.234 0.000 1.048 114 K CA 1.456 57.530 56.287 -0.354 0.000 0.948 114 K CB -0.479 31.873 32.500 -0.248 0.000 0.742 114 K HN 0.391 nan 8.250 nan 0.000 0.458 115 D N -0.417 119.873 120.400 -0.184 0.000 2.277 115 D HA 0.006 4.654 4.640 0.014 0.000 0.208 115 D C 1.606 177.836 176.300 -0.115 0.000 0.962 115 D CA 0.762 54.688 54.000 -0.124 0.000 0.865 115 D CB 0.153 40.892 40.800 -0.101 0.000 0.939 115 D HN 0.197 nan 8.370 nan 0.000 0.510 116 K N -0.903 119.412 120.400 -0.142 0.000 2.404 116 K HA 0.354 4.683 4.320 0.014 0.000 0.194 116 K C 1.483 177.999 176.600 -0.139 0.000 1.023 116 K CA 0.481 56.696 56.287 -0.120 0.000 1.094 116 K CB 0.524 32.959 32.500 -0.110 0.000 0.841 116 K HN 0.332 nan 8.250 nan 0.000 0.523 117 G N 1.147 109.824 108.800 -0.205 0.000 2.176 117 G HA2 -0.223 3.746 3.960 0.014 0.000 0.232 117 G HA3 -0.223 3.746 3.960 0.014 0.000 0.232 117 G C -0.082 174.578 174.900 -0.400 0.000 0.986 117 G CA 0.081 45.041 45.100 -0.233 0.000 0.643 117 G HN 0.446 nan 8.290 nan 0.000 0.522 118 N N -0.246 118.174 118.700 -0.466 0.000 2.530 118 N HA 0.861 5.609 4.740 0.014 0.000 0.283 118 N C -0.404 174.591 175.510 -0.858 0.000 1.238 118 N CA -0.158 52.619 53.050 -0.455 0.000 0.971 118 N CB 0.715 39.092 38.487 -0.185 0.000 1.195 118 N HN 0.132 nan 8.380 nan 0.000 0.583 119 F N -0.903 119.020 119.950 -0.045 0.000 2.664 119 F HA 0.461 4.997 4.527 0.014 0.000 0.317 119 F C -0.054 175.721 175.800 -0.042 0.000 1.108 119 F CA -1.018 56.955 58.000 -0.045 0.000 0.957 119 F CB 0.932 39.903 39.000 -0.049 0.000 1.365 119 F HN 0.000 nan 8.300 nan 0.000 0.475 120 L N 1.679 123.005 121.223 0.171 0.000 2.453 120 L HA 0.252 4.600 4.340 0.014 0.000 0.272 120 L C 0.758 177.683 176.870 0.092 0.000 1.182 120 L CA -0.371 54.526 54.840 0.095 0.000 0.858 120 L CB 0.499 42.605 42.059 0.079 0.000 1.120 120 L HN 0.797 nan 8.230 nan 0.000 0.474 121 T N -1.418 113.169 114.554 0.055 0.000 2.734 121 T HA -0.026 4.332 4.350 0.014 0.000 0.314 121 T C 0.949 175.678 174.700 0.047 0.000 1.057 121 T CA -0.317 61.803 62.100 0.033 0.000 1.047 121 T CB 0.872 69.749 68.868 0.015 0.000 0.991 121 T HN 0.761 nan 8.240 nan 0.000 0.540 122 E N -0.032 120.192 120.200 0.039 0.000 2.150 122 E HA -0.158 4.201 4.350 0.014 0.000 0.193 122 E C 1.361 177.997 176.600 0.060 0.000 0.985 122 E CA 1.080 57.520 56.400 0.065 0.000 0.814 122 E CB -0.085 29.652 29.700 0.061 0.000 0.752 122 E HN 0.671 nan 8.360 nan 0.000 0.466 123 D N 0.320 120.748 120.400 0.047 0.000 2.183 123 D HA -0.129 4.519 4.640 0.014 0.000 0.203 123 D C 1.852 178.207 176.300 0.091 0.000 0.969 123 D CA 0.828 54.862 54.000 0.056 0.000 0.842 123 D CB -0.041 40.772 40.800 0.022 0.000 0.957 123 D HN 0.346 nan 8.370 nan 0.000 0.484 124 Q N 0.093 119.941 119.800 0.079 0.000 2.079 124 Q HA -0.033 4.315 4.340 0.014 0.000 0.200 124 Q C 2.441 178.531 176.000 0.150 0.000 0.974 124 Q CA 0.636 56.511 55.803 0.121 0.000 0.840 124 Q CB 0.137 28.921 28.738 0.078 0.000 0.898 124 Q HN 0.321 nan 8.270 nan 0.000 0.430 125 I N 0.617 121.243 120.570 0.095 0.000 2.226 125 I HA -0.295 3.883 4.170 0.014 0.000 0.245 125 I C 2.110 178.263 176.117 0.060 0.000 1.100 125 I CA 1.113 62.450 61.300 0.061 0.000 1.374 125 I CB -0.172 37.844 38.000 0.027 0.000 1.057 125 I HN 0.222 nan 8.210 nan 0.000 0.413 126 L N -0.289 120.985 121.223 0.085 0.000 2.093 126 L HA -0.236 4.113 4.340 0.014 0.000 0.208 126 L C 2.506 179.449 176.870 0.122 0.000 1.085 126 L CA 1.336 56.224 54.840 0.081 0.000 0.755 126 L CB -0.690 41.421 42.059 0.087 0.000 0.904 126 L HN 0.562 nan 8.230 nan 0.000 0.435 127 W N 1.303 122.595 121.300 -0.014 0.000 2.355 127 W HA -0.201 4.467 4.660 0.014 0.000 0.309 127 W C 2.065 178.571 176.519 -0.022 0.000 1.206 127 W CA 1.304 58.639 57.345 -0.017 0.000 1.284 127 W CB -0.297 29.152 29.460 -0.018 0.000 1.145 127 W HN 0.091 nan 8.180 nan 0.000 0.502 128 L N 0.689 121.846 121.223 -0.109 0.000 2.012 128 L HA -0.291 4.058 4.340 0.014 0.000 0.210 128 L C 2.741 179.473 176.870 -0.230 0.000 1.073 128 L CA 1.363 56.068 54.840 -0.226 0.000 0.748 128 L CB -1.314 40.722 42.059 -0.038 0.000 0.891 128 L HN 0.054 nan 8.230 nan 0.000 0.431 129 L N -0.525 120.619 121.223 -0.132 0.000 2.083 129 L HA -0.197 4.151 4.340 0.014 0.000 0.209 129 L C 2.285 179.066 176.870 -0.147 0.000 1.083 129 L CA 1.458 56.228 54.840 -0.116 0.000 0.752 129 L CB -0.422 41.597 42.059 -0.066 0.000 0.899 129 L HN 0.114 nan 8.230 nan 0.000 0.433 130 L N -0.392 120.730 121.223 -0.169 0.000 2.017 130 L HA -0.032 4.316 4.340 0.014 0.000 0.208 130 L C 2.355 179.070 176.870 -0.258 0.000 1.073 130 L CA 2.108 56.841 54.840 -0.177 0.000 0.745 130 L CB -1.389 40.580 42.059 -0.149 0.000 0.894 130 L HN 0.296 nan 8.230 nan 0.000 0.432 131 G N -0.396 108.149 108.800 -0.425 0.000 2.440 131 G HA2 -0.262 3.706 3.960 0.014 0.000 0.218 131 G HA3 -0.262 3.706 3.960 0.014 0.000 0.218 131 G C 1.622 176.369 174.900 -0.256 0.000 1.154 131 G CA 1.247 46.106 45.100 -0.402 0.000 0.767 131 G HN 0.482 nan 8.290 nan 0.000 0.552 132 I N 0.243 120.670 120.570 -0.238 0.000 2.252 132 I HA -0.171 4.007 4.170 0.014 0.000 0.245 132 I C 2.794 178.792 176.117 -0.199 0.000 1.102 132 I CA 0.559 61.737 61.300 -0.204 0.000 1.385 132 I CB -0.317 37.581 38.000 -0.171 0.000 1.064 132 I HN 0.175 nan 8.210 nan 0.000 0.414 133 C N 0.655 119.855 119.300 -0.167 0.000 2.429 133 C HA -0.119 4.349 4.460 0.014 0.000 0.277 133 C C 2.913 177.808 174.990 -0.158 0.000 1.262 133 C CA 0.792 59.723 59.018 -0.146 0.000 1.733 133 C CB -1.203 26.479 27.740 -0.097 0.000 2.010 133 C HN 0.415 nan 8.230 nan 0.000 0.483 134 R N 0.425 120.844 120.500 -0.135 0.000 2.092 134 R HA -0.049 4.300 4.340 0.014 0.000 0.231 134 R C 2.455 178.595 176.300 -0.267 0.000 1.119 134 R CA 1.506 57.554 56.100 -0.087 0.000 0.970 134 R CB -0.692 29.621 30.300 0.023 0.000 0.864 134 R HN 0.637 nan 8.270 nan 0.000 0.440 135 G N 1.515 110.101 108.800 -0.357 0.000 2.453 135 G HA2 -0.235 3.734 3.960 0.014 0.000 0.215 135 G HA3 -0.235 3.734 3.960 0.014 0.000 0.215 135 G C 1.454 176.042 174.900 -0.520 0.000 1.201 135 G CA 0.445 45.193 45.100 -0.586 0.000 0.784 135 G HN 0.109 nan 8.290 nan 0.000 0.545 136 L N 0.414 121.393 121.223 -0.406 0.000 2.043 136 L HA -0.141 4.208 4.340 0.014 0.000 0.212 136 L C 2.817 179.356 176.870 -0.551 0.000 1.075 136 L CA 1.723 56.261 54.840 -0.504 0.000 0.752 136 L CB -0.450 41.322 42.059 -0.480 0.000 0.891 136 L HN 0.432 nan 8.230 nan 0.000 0.432 137 E N 0.559 120.557 120.200 -0.336 0.000 2.058 137 E HA -0.276 4.082 4.350 0.014 0.000 0.194 137 E C 2.181 178.725 176.600 -0.093 0.000 0.997 137 E CA 1.415 57.718 56.400 -0.163 0.000 0.801 137 E CB 0.002 29.657 29.700 -0.074 0.000 0.746 137 E HN 0.471 nan 8.360 nan 0.000 0.450 138 A N 0.968 123.688 122.820 -0.166 0.000 1.933 138 A HA -0.138 4.190 4.320 0.014 0.000 0.218 138 A C 2.165 179.803 177.584 0.089 0.000 1.175 138 A CA 1.230 53.242 52.037 -0.042 0.000 0.628 138 A CB -0.510 18.389 19.000 -0.169 0.000 0.814 138 A HN 0.341 nan 8.150 nan 0.000 0.444 139 I N -1.276 119.225 120.570 -0.114 0.000 2.163 139 I HA -0.258 3.920 4.170 0.014 0.000 0.240 139 I C 2.418 178.748 176.117 0.356 0.000 1.081 139 I CA 1.571 62.931 61.300 0.100 0.000 1.353 139 I CB -0.648 37.289 38.000 -0.104 0.000 1.054 139 I HN 0.469 nan 8.210 nan 0.000 0.407 140 H N 0.377 119.518 119.070 0.118 0.000 2.352 140 H HA -0.156 4.408 4.556 0.014 0.000 0.299 140 H C 2.319 177.709 175.328 0.103 0.000 1.097 140 H CA 0.872 56.984 56.048 0.108 0.000 1.311 140 H CB -0.051 29.755 29.762 0.073 0.000 1.377 140 H HN 0.399 nan 8.280 nan 0.000 0.504 141 A N 1.226 124.186 122.820 0.232 0.000 2.019 141 A HA -0.138 4.191 4.320 0.014 0.000 0.219 141 A C 2.018 179.696 177.584 0.156 0.000 1.164 141 A CA 1.203 53.335 52.037 0.157 0.000 0.644 141 A CB -0.108 18.972 19.000 0.133 0.000 0.805 141 A HN 0.272 nan 8.150 nan 0.000 0.449 142 K N -1.708 118.834 120.400 0.237 0.000 2.404 142 K HA 0.179 4.508 4.320 0.014 0.000 0.194 142 K C 0.967 177.664 176.600 0.162 0.000 1.023 142 K CA 0.618 57.043 56.287 0.230 0.000 1.094 142 K CB 0.164 32.857 32.500 0.322 0.000 0.841 142 K HN 0.672 nan 8.250 nan 0.000 0.523 143 G N 0.926 109.785 108.800 0.099 0.000 2.144 143 G HA2 -0.243 3.725 3.960 0.014 0.000 0.218 143 G HA3 -0.243 3.725 3.960 0.014 0.000 0.218 143 G C -0.341 174.376 174.900 -0.305 0.000 0.988 143 G CA -0.219 44.805 45.100 -0.127 0.000 0.659 143 G HN 0.204 nan 8.290 nan 0.000 0.522 144 Y N 0.268 120.641 120.300 0.122 0.000 2.567 144 Y HA 0.763 5.321 4.550 0.014 0.000 0.333 144 Y C 0.579 176.580 175.900 0.168 0.000 1.106 144 Y CA -0.230 57.945 58.100 0.126 0.000 1.157 144 Y CB 1.935 40.499 38.460 0.174 0.000 1.277 144 Y HN 0.491 nan 8.280 nan 0.000 0.490 145 A N 0.227 123.233 122.820 0.310 0.000 2.380 145 A HA 0.348 4.676 4.320 0.014 0.000 0.315 145 A C 0.280 178.046 177.584 0.303 0.000 1.101 145 A CA -0.496 51.717 52.037 0.292 0.000 0.771 145 A CB 0.822 19.910 19.000 0.146 0.000 1.287 145 A HN 0.989 nan 8.150 nan 0.000 0.436 146 H N 1.140 120.330 119.070 0.201 0.000 2.307 146 H HA -0.038 4.526 4.556 0.014 0.000 0.303 146 H C 0.522 175.928 175.328 0.130 0.000 1.073 146 H CA 2.200 58.317 56.048 0.115 0.000 1.338 146 H CB 0.167 29.955 29.762 0.043 0.000 1.389 146 H HN 0.809 nan 8.280 nan 0.000 0.503 147 R N -0.474 120.255 120.500 0.381 0.000 3.653 147 R HA -0.162 4.186 4.340 0.014 0.000 0.485 147 R C -0.375 176.063 176.300 0.231 0.000 0.840 147 R CA 1.220 57.492 56.100 0.287 0.000 1.409 147 R CB -2.031 28.470 30.300 0.335 0.000 2.089 147 R HN 0.425 nan 8.270 nan 0.000 0.482 148 D N 0.454 121.093 120.400 0.400 0.000 2.992 148 D HA 0.199 4.848 4.640 0.014 0.000 0.372 148 D C -0.781 175.584 176.300 0.110 0.000 1.374 148 D CA -0.445 53.675 54.000 0.200 0.000 0.769 148 D CB 0.135 41.001 40.800 0.110 0.000 1.215 148 D HN 0.002 nan 8.370 nan 0.000 0.473 149 L N 2.213 123.396 121.223 -0.065 0.000 2.455 149 L HA 0.301 4.649 4.340 0.014 0.000 0.272 149 L C -0.021 176.703 176.870 -0.244 0.000 1.174 149 L CA 0.891 55.548 54.840 -0.305 0.000 0.869 149 L CB -0.047 41.856 42.059 -0.259 0.000 1.130 149 L HN 0.241 nan 8.230 nan 0.000 0.474 150 K N 2.638 122.823 120.400 -0.359 0.000 2.703 150 K HA 0.365 4.693 4.320 0.014 0.000 0.285 150 K C -2.790 173.565 176.600 -0.408 0.000 1.014 150 K CA -1.272 54.617 56.287 -0.663 0.000 0.858 150 K CB 0.401 32.280 32.500 -1.034 0.000 1.467 150 K HN 0.048 nan 8.250 nan 0.000 0.383 151 P HA -0.143 nan 4.420 nan 0.000 0.222 151 P C 0.856 178.149 177.300 -0.012 0.000 1.147 151 P CA 1.373 64.432 63.100 -0.068 0.000 0.790 151 P CB -0.075 31.720 31.700 0.158 0.000 0.780 152 T N -5.429 109.051 114.554 -0.124 0.000 3.148 152 T HA 0.071 4.429 4.350 0.014 0.000 0.253 152 T C 1.190 175.881 174.700 -0.016 0.000 1.134 152 T CA 0.428 62.509 62.100 -0.031 0.000 1.051 152 T CB -0.726 68.083 68.868 -0.099 0.000 0.959 152 T HN -0.064 nan 8.240 nan 0.000 0.525 153 N N 0.929 119.593 118.700 -0.059 0.000 2.273 153 N HA 0.381 5.130 4.740 0.014 0.000 0.231 153 N C -0.732 174.761 175.510 -0.028 0.000 1.134 153 N CA -0.108 52.932 53.050 -0.017 0.000 0.856 153 N CB 0.360 38.830 38.487 -0.029 0.000 1.068 153 N HN 0.530 nan 8.380 nan 0.000 0.510 154 I N 1.315 121.867 120.570 -0.030 0.000 2.468 154 I HA 0.274 4.452 4.170 0.014 0.000 0.284 154 I C -0.506 175.589 176.117 -0.038 0.000 1.038 154 I CA -0.569 60.699 61.300 -0.053 0.000 1.083 154 I CB 1.644 39.598 38.000 -0.076 0.000 1.223 154 I HN -0.298 nan 8.210 nan 0.000 0.443 155 L N 5.826 127.006 121.223 -0.072 0.000 2.399 155 L HA 0.441 4.789 4.340 0.014 0.000 0.266 155 L C -0.667 176.055 176.870 -0.246 0.000 1.114 155 L CA -0.872 53.898 54.840 -0.117 0.000 0.804 155 L CB 0.819 42.828 42.059 -0.082 0.000 1.146 155 L HN 0.319 nan 8.230 nan 0.000 0.451 156 L N 1.507 122.598 121.223 -0.221 0.000 2.287 156 L HA 0.533 4.881 4.340 0.014 0.000 0.287 156 L C 0.640 177.329 176.870 -0.303 0.000 1.022 156 L CA 0.103 54.817 54.840 -0.210 0.000 0.814 156 L CB 0.949 42.957 42.059 -0.085 0.000 1.217 156 L HN 0.632 nan 8.230 nan 0.000 0.420 157 G N 1.052 109.642 108.800 -0.350 0.000 2.588 157 G HA2 0.363 4.331 3.960 0.014 0.000 0.278 157 G HA3 0.363 4.331 3.960 0.014 0.000 0.278 157 G C 0.582 175.468 174.900 -0.024 0.000 1.307 157 G CA 0.322 45.258 45.100 -0.272 0.000 1.016 157 G HN 0.737 nan 8.290 nan 0.000 0.503 158 D N -1.997 118.442 120.400 0.065 0.000 2.317 158 D HA 0.270 4.919 4.640 0.014 0.000 0.211 158 D C 1.844 178.163 176.300 0.033 0.000 0.966 158 D CA 1.519 55.550 54.000 0.050 0.000 0.876 158 D CB -0.380 40.458 40.800 0.064 0.000 0.927 158 D HN 0.717 nan 8.370 nan 0.000 0.519 159 E N -0.644 119.584 120.200 0.047 0.000 2.419 159 E HA 0.467 4.825 4.350 0.014 0.000 0.190 159 E C 1.804 178.453 176.600 0.082 0.000 1.040 159 E CA 0.651 57.080 56.400 0.048 0.000 0.900 159 E CB -1.027 28.715 29.700 0.070 0.000 1.054 159 E HN 1.379 nan 8.360 nan 0.000 0.462 160 G N 1.058 109.905 108.800 0.078 0.000 2.155 160 G HA2 -0.341 3.627 3.960 0.014 0.000 0.257 160 G HA3 -0.341 3.627 3.960 0.014 0.000 0.257 160 G C 0.630 175.704 174.900 0.289 0.000 0.983 160 G CA 0.458 45.643 45.100 0.142 0.000 0.676 160 G HN 0.979 nan 8.290 nan 0.000 0.528 161 Q N 0.706 120.631 119.800 0.208 0.000 2.332 161 Q HA 0.468 4.816 4.340 0.014 0.000 0.263 161 Q C -2.579 173.356 176.000 -0.109 0.000 0.979 161 Q CA -1.816 54.044 55.803 0.095 0.000 0.885 161 Q CB 1.745 30.525 28.738 0.069 0.000 1.218 161 Q HN 0.339 nan 8.270 nan 0.000 0.405 162 P HA 0.225 nan 4.420 nan 0.000 0.285 162 P C -0.878 176.293 177.300 -0.216 0.000 1.259 162 P CA -0.456 62.522 63.100 -0.204 0.000 0.794 162 P CB 1.285 32.858 31.700 -0.211 0.000 0.940 163 V N 4.610 124.385 119.914 -0.230 0.000 2.525 163 V HA 0.266 4.394 4.120 0.014 0.000 0.299 163 V C 0.391 176.419 176.094 -0.110 0.000 1.034 163 V CA -0.756 61.432 62.300 -0.187 0.000 0.863 163 V CB 1.749 33.390 31.823 -0.304 0.000 0.999 163 V HN 0.393 nan 8.190 nan 0.000 0.423 164 L N 6.295 127.467 121.223 -0.085 0.000 2.380 164 L HA 0.626 4.975 4.340 0.014 0.000 0.273 164 L C 0.187 177.088 176.870 0.052 0.000 1.138 164 L CA 0.122 54.932 54.840 -0.050 0.000 0.832 164 L CB 0.859 42.859 42.059 -0.099 0.000 1.124 164 L HN 0.771 nan 8.230 nan 0.000 0.454 165 M N 0.020 119.689 119.600 0.116 0.000 2.846 165 M HA 0.617 5.106 4.480 0.014 0.000 0.282 165 M C -0.907 175.516 176.300 0.205 0.000 1.266 165 M CA -0.773 54.636 55.300 0.182 0.000 0.766 165 M CB 1.591 34.307 32.600 0.194 0.000 1.739 165 M HN 0.346 nan 8.290 nan 0.000 0.442 166 D N 0.581 121.090 120.400 0.182 0.000 3.437 166 D HA -0.112 4.537 4.640 0.014 0.000 0.243 166 D C -0.959 175.313 176.300 -0.046 0.000 1.104 166 D CA 0.474 54.548 54.000 0.124 0.000 1.009 166 D CB -0.612 40.272 40.800 0.140 0.000 0.937 166 D HN 0.689 nan 8.370 nan 0.000 0.417 167 L N 1.095 122.257 121.223 -0.102 0.000 2.928 167 L HA 0.393 4.741 4.340 0.014 0.000 0.246 167 L C 2.200 178.995 176.870 -0.124 0.000 1.239 167 L CA 0.143 54.827 54.840 -0.259 0.000 1.035 167 L CB 0.407 42.249 42.059 -0.360 0.000 1.360 167 L HN 0.422 nan 8.230 nan 0.000 0.529 168 G N -0.107 108.671 108.800 -0.036 0.000 2.920 168 G HA2 -0.077 3.891 3.960 0.014 0.000 0.208 168 G HA3 -0.077 3.891 3.960 0.014 0.000 0.208 168 G C 1.102 176.024 174.900 0.036 0.000 1.159 168 G CA 0.725 45.840 45.100 0.025 0.000 0.784 168 G HN 0.472 nan 8.290 nan 0.000 0.535 169 S N -1.015 114.687 115.700 0.003 0.000 2.701 169 S HA 0.349 4.827 4.470 0.014 0.000 0.242 169 S C 0.640 175.353 174.600 0.189 0.000 1.025 169 S CA -0.504 57.762 58.200 0.109 0.000 1.016 169 S CB -0.038 63.157 63.200 -0.008 0.000 0.977 169 S HN 0.224 nan 8.310 nan 0.000 0.546 170 M N 3.831 123.456 119.600 0.043 0.000 2.248 170 M HA 0.267 4.755 4.480 0.014 0.000 0.345 170 M C -0.560 175.856 176.300 0.193 0.000 1.243 170 M CA 0.475 55.821 55.300 0.077 0.000 1.090 170 M CB 0.196 32.764 32.600 -0.052 0.000 1.683 170 M HN 0.553 nan 8.290 nan 0.000 0.450 171 N N 1.964 120.823 118.700 0.265 0.000 3.039 171 N HA 0.392 5.141 4.740 0.014 0.000 0.257 171 N C -1.360 174.256 175.510 0.177 0.000 1.497 171 N CA -0.536 52.650 53.050 0.227 0.000 0.861 171 N CB 0.440 38.929 38.487 0.004 0.000 1.479 171 N HN 0.668 nan 8.380 nan 0.000 0.547 172 Q N -0.928 118.841 119.800 -0.051 0.000 2.315 172 Q HA 0.505 4.854 4.340 0.014 0.000 0.289 172 Q C 1.273 177.180 176.000 -0.155 0.000 1.044 172 Q CA 0.477 56.133 55.803 -0.244 0.000 0.920 172 Q CB -0.461 28.135 28.738 -0.236 0.000 1.214 172 Q HN 0.972 nan 8.270 nan 0.000 0.392 173 A N 0.916 123.637 122.820 -0.165 0.000 1.929 173 A HA 0.139 4.467 4.320 0.014 0.000 0.216 173 A C 1.305 178.808 177.584 -0.135 0.000 1.176 173 A CA 1.324 53.290 52.037 -0.117 0.000 0.628 173 A CB -0.085 18.836 19.000 -0.131 0.000 0.816 173 A HN 1.088 nan 8.150 nan 0.000 0.444 174 C N 0.576 119.784 119.300 -0.154 0.000 2.295 174 C HA 0.720 5.188 4.460 0.014 0.000 0.331 174 C C -0.553 174.314 174.990 -0.205 0.000 1.280 174 C CA -0.848 58.060 59.018 -0.184 0.000 1.746 174 C CB -0.888 26.748 27.740 -0.172 0.000 2.328 174 C HN 0.427 nan 8.230 nan 0.000 0.521 175 I N 6.810 127.229 120.570 -0.251 0.000 2.468 175 I HA 0.322 4.500 4.170 0.014 0.000 0.285 175 I C -0.463 175.500 176.117 -0.256 0.000 1.039 175 I CA -0.348 60.828 61.300 -0.207 0.000 1.074 175 I CB 1.111 39.002 38.000 -0.182 0.000 1.228 175 I HN 0.610 nan 8.210 nan 0.000 0.436 176 H N 5.852 124.889 119.070 -0.055 0.000 2.604 176 H HA 0.353 4.917 4.556 0.014 0.000 0.306 176 H C -0.644 174.663 175.328 -0.036 0.000 1.075 176 H CA -0.412 55.618 56.048 -0.030 0.000 1.357 176 H CB 1.998 31.748 29.762 -0.019 0.000 1.426 176 H HN 0.187 nan 8.280 nan 0.000 0.470 177 V N 5.472 125.425 119.914 0.065 0.000 2.347 177 V HA 0.131 4.260 4.120 0.014 0.000 0.280 177 V C 0.159 176.255 176.094 0.004 0.000 1.021 177 V CA -0.619 61.681 62.300 0.001 0.000 0.847 177 V CB 1.210 33.008 31.823 -0.041 0.000 0.990 177 V HN 0.738 nan 8.190 nan 0.000 0.444 178 E N 4.148 124.334 120.200 -0.024 0.000 2.235 178 E HA 0.660 5.018 4.350 0.014 0.000 0.252 178 E C 0.091 176.592 176.600 -0.164 0.000 0.886 178 E CA -0.536 55.843 56.400 -0.035 0.000 0.767 178 E CB 2.046 31.824 29.700 0.131 0.000 1.205 178 E HN 0.999 nan 8.360 nan 0.000 0.421 179 G N 2.046 110.563 108.800 -0.471 0.000 2.699 179 G HA2 -0.264 3.705 3.960 0.014 0.000 0.686 179 G HA3 -0.264 3.705 3.960 0.014 0.000 0.686 179 G C 0.503 175.280 174.900 -0.204 0.000 1.301 179 G CA -0.263 44.664 45.100 -0.289 0.000 0.816 179 G HN 0.380 nan 8.290 nan 0.000 0.595 180 S N 0.087 115.708 115.700 -0.133 0.000 2.368 180 S HA -0.134 4.344 4.470 0.014 0.000 0.225 180 S C 2.266 176.829 174.600 -0.062 0.000 1.030 180 S CA 1.656 59.803 58.200 -0.087 0.000 0.999 180 S CB -0.170 62.998 63.200 -0.054 0.000 0.844 180 S HN 0.783 nan 8.310 nan 0.000 0.459 181 R N 1.203 121.672 120.500 -0.051 0.000 2.091 181 R HA -0.122 4.226 4.340 0.014 0.000 0.238 181 R C 2.386 178.664 176.300 -0.038 0.000 1.136 181 R CA 1.555 57.634 56.100 -0.035 0.000 0.959 181 R CB -0.220 30.064 30.300 -0.026 0.000 0.856 181 R HN 0.503 nan 8.270 nan 0.000 0.437 182 Q N -0.690 119.079 119.800 -0.051 0.000 2.123 182 Q HA -0.059 4.290 4.340 0.014 0.000 0.199 182 Q C 2.089 178.058 176.000 -0.052 0.000 0.966 182 Q CA 1.288 57.061 55.803 -0.051 0.000 0.845 182 Q CB 0.008 28.714 28.738 -0.053 0.000 0.907 182 Q HN 0.404 nan 8.270 nan 0.000 0.439 183 A N 0.706 123.488 122.820 -0.064 0.000 1.877 183 A HA -0.177 4.152 4.320 0.014 0.000 0.216 183 A C 1.996 179.562 177.584 -0.031 0.000 1.186 183 A CA 1.117 53.121 52.037 -0.056 0.000 0.620 183 A CB -0.530 18.426 19.000 -0.073 0.000 0.822 183 A HN 0.303 nan 8.150 nan 0.000 0.443 184 L N 0.263 121.469 121.223 -0.027 0.000 2.109 184 L HA -0.096 4.253 4.340 0.014 0.000 0.207 184 L C 2.860 179.733 176.870 0.005 0.000 1.086 184 L CA 2.512 57.345 54.840 -0.012 0.000 0.760 184 L CB -0.657 41.394 42.059 -0.014 0.000 0.910 184 L HN 0.618 nan 8.230 nan 0.000 0.437 185 T N -3.200 111.356 114.554 0.002 0.000 2.821 185 T HA -0.194 4.164 4.350 0.014 0.000 0.267 185 T C 1.862 176.597 174.700 0.058 0.000 1.046 185 T CA 1.214 63.328 62.100 0.023 0.000 1.139 185 T CB -0.690 68.180 68.868 0.004 0.000 0.871 185 T HN 0.185 nan 8.240 nan 0.000 0.454 186 L N 1.234 122.473 121.223 0.027 0.000 2.056 186 L HA 0.055 4.403 4.340 0.014 0.000 0.207 186 L C 2.746 179.696 176.870 0.133 0.000 1.078 186 L CA 1.775 56.653 54.840 0.062 0.000 0.749 186 L CB -1.124 40.926 42.059 -0.015 0.000 0.901 186 L HN 0.347 nan 8.230 nan 0.000 0.433 187 Q N -0.839 118.992 119.800 0.051 0.000 2.084 187 Q HA -0.231 4.118 4.340 0.014 0.000 0.202 187 Q C 1.709 177.717 176.000 0.013 0.000 0.978 187 Q CA 2.048 57.858 55.803 0.012 0.000 0.844 187 Q CB -0.013 28.719 28.738 -0.011 0.000 0.898 187 Q HN 0.564 nan 8.270 nan 0.000 0.426 188 D N -0.558 119.866 120.400 0.041 0.000 2.117 188 D HA -0.175 4.474 4.640 0.014 0.000 0.197 188 D C 1.288 177.619 176.300 0.051 0.000 0.987 188 D CA 0.936 54.953 54.000 0.028 0.000 0.829 188 D CB -0.552 40.270 40.800 0.037 0.000 0.961 188 D HN 0.452 nan 8.370 nan 0.000 0.460 189 W N 2.140 123.401 121.300 -0.065 0.000 2.338 189 W HA -0.196 4.474 4.660 0.016 0.000 0.304 189 W C 2.348 178.821 176.519 -0.078 0.000 1.212 189 W CA 2.505 59.814 57.345 -0.060 0.000 1.264 189 W CB -0.226 29.204 29.460 -0.050 0.000 1.142 189 W HN -0.038 nan 8.180 nan 0.000 0.512 190 A N 0.627 123.412 122.820 -0.059 0.000 1.930 190 A HA 0.006 4.334 4.320 0.014 0.000 0.217 190 A C 2.082 179.442 177.584 -0.374 0.000 1.175 190 A CA 2.120 53.949 52.037 -0.348 0.000 0.627 190 A CB -1.530 17.396 19.000 -0.122 0.000 0.815 190 A HN 0.455 nan 8.150 nan 0.000 0.443 191 A N -1.062 121.607 122.820 -0.252 0.000 2.024 191 A HA -0.207 4.121 4.320 0.014 0.000 0.220 191 A C 2.085 179.539 177.584 -0.218 0.000 1.164 191 A CA 2.072 53.982 52.037 -0.212 0.000 0.643 191 A CB -0.371 18.553 19.000 -0.127 0.000 0.806 191 A HN 0.589 nan 8.150 nan 0.000 0.451 192 Q N -1.159 118.472 119.800 -0.282 0.000 2.165 192 Q HA 0.072 4.421 4.340 0.014 0.000 0.197 192 Q C 1.931 177.708 176.000 -0.372 0.000 0.952 192 Q CA 0.984 56.613 55.803 -0.290 0.000 0.848 192 Q CB 0.208 28.772 28.738 -0.290 0.000 0.931 192 Q HN 0.514 nan 8.270 nan 0.000 0.470 193 R N -1.607 118.544 120.500 -0.582 0.000 2.404 193 R HA 0.315 4.663 4.340 0.014 0.000 0.237 193 R C -0.362 175.680 176.300 -0.430 0.000 0.907 193 R CA 0.089 55.841 56.100 -0.580 0.000 1.063 193 R CB 0.891 30.598 30.300 -0.988 0.000 1.134 193 R HN 0.100 nan 8.270 nan 0.000 0.529 194 C N 2.367 121.433 119.300 -0.390 0.000 2.294 194 C HA 0.306 4.774 4.460 0.014 0.000 0.319 194 C C 0.536 175.426 174.990 -0.167 0.000 1.164 194 C CA -0.911 57.964 59.018 -0.238 0.000 1.497 194 C CB 0.676 28.273 27.740 -0.239 0.000 2.061 194 C HN 0.219 nan 8.230 nan 0.000 0.438 195 T N 2.956 117.446 114.554 -0.107 0.000 2.819 195 T HA -0.082 4.276 4.350 0.014 0.000 0.282 195 T C 1.530 176.197 174.700 -0.055 0.000 1.013 195 T CA 0.634 62.679 62.100 -0.091 0.000 1.159 195 T CB 0.219 69.044 68.868 -0.071 0.000 1.007 195 T HN 0.696 nan 8.240 nan 0.000 0.514 196 I N 3.419 123.926 120.570 -0.105 0.000 2.208 196 I HA -0.224 3.954 4.170 0.014 0.000 0.245 196 I C 2.346 178.489 176.117 0.044 0.000 1.097 196 I CA 1.899 63.185 61.300 -0.024 0.000 1.363 196 I CB -0.105 37.916 38.000 0.034 0.000 1.051 196 I HN 0.766 nan 8.210 nan 0.000 0.413 197 S N -1.095 114.550 115.700 -0.091 0.000 2.561 197 S HA -0.081 4.397 4.470 0.014 0.000 0.225 197 S C 1.221 175.767 174.600 -0.091 0.000 0.977 197 S CA 0.419 58.574 58.200 -0.076 0.000 0.926 197 S CB -0.437 62.634 63.200 -0.214 0.000 0.769 197 S HN 0.622 nan 8.310 nan 0.000 0.533 198 Y N 0.939 121.282 120.300 0.072 0.000 2.500 198 Y HA 0.443 5.001 4.550 0.013 0.000 0.246 198 Y C 0.964 177.008 175.900 0.239 0.000 1.146 198 Y CA -0.946 57.247 58.100 0.154 0.000 1.230 198 Y CB 0.372 38.852 38.460 0.034 0.000 1.214 198 Y HN 0.138 nan 8.280 nan 0.000 0.526 199 R N 1.654 122.299 120.500 0.243 0.000 2.438 199 R HA 0.535 4.883 4.340 0.014 0.000 0.287 199 R C 0.036 176.351 176.300 0.025 0.000 1.077 199 R CA -0.130 56.024 56.100 0.091 0.000 1.034 199 R CB 0.532 30.741 30.300 -0.151 0.000 0.993 199 R HN 0.171 nan 8.270 nan 0.000 0.459 200 A N 6.196 128.930 122.820 -0.143 0.000 2.425 200 A HA 0.240 4.568 4.320 0.014 0.000 0.249 200 A C -1.757 175.575 177.584 -0.420 0.000 1.084 200 A CA -1.423 50.292 52.037 -0.536 0.000 0.781 200 A CB 0.301 19.171 19.000 -0.215 0.000 1.019 200 A HN 0.697 nan 8.150 nan 0.000 0.490 201 P HA -0.248 nan 4.420 nan 0.000 0.214 201 P C 1.298 178.539 177.300 -0.098 0.000 1.163 201 P CA 1.766 64.654 63.100 -0.354 0.000 0.889 201 P CB -0.007 31.355 31.700 -0.563 0.000 0.790 202 E N 0.135 120.240 120.200 -0.158 0.000 2.393 202 E HA -0.172 4.186 4.350 0.014 0.000 0.201 202 E C 1.455 178.020 176.600 -0.058 0.000 1.025 202 E CA 1.090 57.438 56.400 -0.086 0.000 0.856 202 E CB -1.075 28.577 29.700 -0.080 0.000 0.771 202 E HN 0.340 nan 8.360 nan 0.000 0.526 203 L N -0.361 120.811 121.223 -0.084 0.000 2.607 203 L HA 0.254 4.603 4.340 0.014 0.000 0.228 203 L C 0.260 176.984 176.870 -0.243 0.000 1.123 203 L CA -0.278 54.475 54.840 -0.144 0.000 0.890 203 L CB 0.046 41.992 42.059 -0.189 0.000 1.103 203 L HN -0.096 nan 8.230 nan 0.000 0.468 204 F N -0.599 119.278 119.950 -0.121 0.000 2.399 204 F HA 0.278 4.813 4.527 0.013 0.000 0.334 204 F C 1.486 177.229 175.800 -0.094 0.000 1.097 204 F CA -0.695 57.241 58.000 -0.106 0.000 1.076 204 F CB 1.346 40.264 39.000 -0.137 0.000 1.162 204 F HN -0.194 nan 8.300 nan 0.000 0.495 205 S N 0.224 115.989 115.700 0.108 0.000 3.559 205 S HA -0.138 4.340 4.470 0.014 0.000 0.369 205 S C -0.140 174.462 174.600 0.004 0.000 0.987 205 S CA -0.191 58.031 58.200 0.036 0.000 1.187 205 S CB -1.910 61.302 63.200 0.021 0.000 0.914 205 S HN 0.452 nan 8.310 nan 0.000 0.480 206 V N 1.665 121.575 119.914 -0.007 0.000 2.625 206 V HA -0.101 4.028 4.120 0.014 0.000 0.305 206 V C 1.169 177.242 176.094 -0.034 0.000 1.055 206 V CA 0.862 63.147 62.300 -0.026 0.000 1.209 206 V CB 0.321 32.127 31.823 -0.029 0.000 0.877 206 V HN 0.548 nan 8.190 nan 0.000 0.489 207 Q N 2.877 122.654 119.800 -0.038 0.000 2.354 207 Q HA 0.185 4.534 4.340 0.014 0.000 0.244 207 Q C 1.260 177.217 176.000 -0.072 0.000 0.969 207 Q CA -0.263 55.514 55.803 -0.042 0.000 0.885 207 Q CB 0.972 29.693 28.738 -0.030 0.000 1.241 207 Q HN 0.817 nan 8.270 nan 0.000 0.461 208 S N 0.640 116.279 115.700 -0.102 0.000 2.382 208 S HA -0.109 4.370 4.470 0.014 0.000 0.228 208 S C -0.250 174.070 174.600 -0.465 0.000 1.027 208 S CA 1.203 59.251 58.200 -0.253 0.000 0.991 208 S CB -0.015 63.036 63.200 -0.248 0.000 0.823 208 S HN 0.464 nan 8.310 nan 0.000 0.469 209 H N -0.818 118.251 119.070 -0.002 0.000 2.800 209 H HA 0.538 5.103 4.556 0.014 0.000 0.322 209 H C -0.287 175.047 175.328 0.010 0.000 0.979 209 H CA -0.704 55.349 56.048 0.008 0.000 1.277 209 H CB 1.038 30.805 29.762 0.008 0.000 1.484 209 H HN 0.371 nan 8.280 nan 0.000 0.512 210 C N 0.428 119.789 119.300 0.102 0.000 3.249 210 C HA 0.726 5.194 4.460 0.014 0.000 0.350 210 C C -1.451 173.571 174.990 0.053 0.000 1.431 210 C CA -0.917 58.142 59.018 0.069 0.000 1.209 210 C CB 0.677 28.427 27.740 0.016 0.000 1.546 210 C HN 0.540 nan 8.230 nan 0.000 0.450 211 V N 1.814 121.746 119.914 0.031 0.000 2.443 211 V HA 0.494 4.623 4.120 0.014 0.000 0.293 211 V C -0.793 175.264 176.094 -0.061 0.000 1.021 211 V CA -0.064 62.191 62.300 -0.074 0.000 0.848 211 V CB 1.192 32.956 31.823 -0.098 0.000 0.998 211 V HN 0.703 nan 8.190 nan 0.000 0.424 212 I N 6.015 126.523 120.570 -0.104 0.000 2.325 212 I HA 0.429 4.608 4.170 0.014 0.000 0.291 212 I C 0.270 176.325 176.117 -0.102 0.000 1.019 212 I CA -0.112 61.143 61.300 -0.075 0.000 1.302 212 I CB 1.167 39.126 38.000 -0.070 0.000 1.401 212 I HN 0.836 nan 8.210 nan 0.000 0.485 213 D N 5.422 125.780 120.400 -0.069 0.000 2.666 213 D HA 0.201 4.850 4.640 0.014 0.000 0.252 213 D C 0.785 177.040 176.300 -0.075 0.000 1.143 213 D CA -0.402 53.548 54.000 -0.082 0.000 1.096 213 D CB 0.222 40.987 40.800 -0.058 0.000 1.260 213 D HN 0.418 nan 8.370 nan 0.000 0.633 214 E N -0.012 120.112 120.200 -0.127 0.000 2.418 214 E HA -0.155 4.203 4.350 0.014 0.000 0.197 214 E C 1.561 178.087 176.600 -0.122 0.000 1.026 214 E CA 0.431 56.690 56.400 -0.235 0.000 0.862 214 E CB -0.285 29.001 29.700 -0.691 0.000 0.799 214 E HN 0.358 nan 8.360 nan 0.000 0.518 215 R N 0.729 121.195 120.500 -0.056 0.000 2.261 215 R HA -0.057 4.292 4.340 0.014 0.000 0.236 215 R C 2.106 178.452 176.300 0.077 0.000 1.141 215 R CA 1.579 57.673 56.100 -0.009 0.000 1.001 215 R CB -0.742 29.510 30.300 -0.080 0.000 0.866 215 R HN 0.181 nan 8.270 nan 0.000 0.468 216 T N 0.611 115.205 114.554 0.067 0.000 2.653 216 T HA -0.195 4.164 4.350 0.014 0.000 0.268 216 T C 0.975 175.791 174.700 0.194 0.000 1.035 216 T CA 1.944 64.112 62.100 0.114 0.000 1.154 216 T CB -0.273 68.647 68.868 0.086 0.000 0.862 216 T HN 0.311 nan 8.240 nan 0.000 0.441 217 D N 0.258 120.773 120.400 0.192 0.000 2.178 217 D HA -0.031 4.618 4.640 0.014 0.000 0.202 217 D C 2.112 178.526 176.300 0.189 0.000 0.974 217 D CA 0.488 54.617 54.000 0.216 0.000 0.841 217 D CB -0.329 40.655 40.800 0.306 0.000 0.953 217 D HN 0.253 nan 8.370 nan 0.000 0.478 218 V N 0.698 120.724 119.914 0.188 0.000 2.515 218 V HA -0.156 3.973 4.120 0.014 0.000 0.250 218 V C 2.083 178.265 176.094 0.146 0.000 1.058 218 V CA 0.940 63.321 62.300 0.135 0.000 1.064 218 V CB -0.338 31.545 31.823 0.100 0.000 0.675 218 V HN 0.398 nan 8.190 nan 0.000 0.461 219 W N 1.173 122.497 121.300 0.039 0.000 2.378 219 W HA -0.180 4.488 4.660 0.013 0.000 0.313 219 W C 2.457 179.018 176.519 0.069 0.000 1.197 219 W CA 1.923 59.294 57.345 0.044 0.000 1.304 219 W CB -0.459 29.029 29.460 0.046 0.000 1.148 219 W HN 0.332 nan 8.180 nan 0.000 0.494 220 S N 1.623 117.518 115.700 0.326 0.000 2.370 220 S HA -0.263 4.215 4.470 0.014 0.000 0.226 220 S C 1.771 176.444 174.600 0.121 0.000 1.033 220 S CA 1.691 60.050 58.200 0.264 0.000 1.011 220 S CB -1.026 62.328 63.200 0.257 0.000 0.852 220 S HN 0.298 nan 8.310 nan 0.000 0.457 221 L N 2.308 123.563 121.223 0.054 0.000 2.042 221 L HA -0.042 4.306 4.340 0.014 0.000 0.210 221 L C 2.254 179.100 176.870 -0.040 0.000 1.076 221 L CA 2.032 56.871 54.840 -0.002 0.000 0.749 221 L CB -1.294 40.756 42.059 -0.015 0.000 0.893 221 L HN 0.304 nan 8.230 nan 0.000 0.432 222 G N -1.234 107.496 108.800 -0.116 0.000 2.440 222 G HA2 -0.296 3.672 3.960 0.014 0.000 0.218 222 G HA3 -0.296 3.672 3.960 0.014 0.000 0.218 222 G C 1.550 176.341 174.900 -0.182 0.000 1.154 222 G CA 1.098 46.074 45.100 -0.207 0.000 0.767 222 G HN 0.560 nan 8.290 nan 0.000 0.552 223 C N -0.223 118.952 119.300 -0.208 0.000 2.446 223 C HA 0.033 4.502 4.460 0.014 0.000 0.277 223 C C 3.043 178.130 174.990 0.161 0.000 1.275 223 C CA 0.548 59.488 59.018 -0.130 0.000 1.727 223 C CB -0.933 26.665 27.740 -0.235 0.000 2.010 223 C HN 0.291 nan 8.230 nan 0.000 0.486 224 V N 1.112 121.165 119.914 0.233 0.000 2.287 224 V HA -0.221 3.907 4.120 0.014 0.000 0.248 224 V C 2.422 178.598 176.094 0.137 0.000 1.053 224 V CA 2.075 64.497 62.300 0.205 0.000 1.027 224 V CB -0.799 31.071 31.823 0.078 0.000 0.646 224 V HN 0.504 nan 8.190 nan 0.000 0.447 225 L N -0.472 120.788 121.223 0.062 0.000 2.012 225 L HA -0.210 4.138 4.340 0.014 0.000 0.210 225 L C 2.265 179.156 176.870 0.034 0.000 1.073 225 L CA 2.182 57.028 54.840 0.009 0.000 0.748 225 L CB -1.100 40.930 42.059 -0.048 0.000 0.891 225 L HN 0.458 nan 8.230 nan 0.000 0.431 226 Y N 0.133 120.414 120.300 -0.032 0.000 2.114 226 Y HA -0.344 4.215 4.550 0.014 0.000 0.282 226 Y C 2.432 178.435 175.900 0.172 0.000 1.165 226 Y CA 2.412 60.559 58.100 0.080 0.000 1.148 226 Y CB -0.418 38.031 38.460 -0.019 0.000 0.972 226 Y HN 0.308 nan 8.280 nan 0.000 0.504 227 A N 0.260 123.337 122.820 0.428 0.000 1.908 227 A HA -0.266 4.063 4.320 0.014 0.000 0.218 227 A C 2.287 180.037 177.584 0.278 0.000 1.181 227 A CA 2.183 54.477 52.037 0.428 0.000 0.627 227 A CB -0.833 18.447 19.000 0.466 0.000 0.818 227 A HN 0.619 nan 8.150 nan 0.000 0.445 228 M N -1.502 118.193 119.600 0.157 0.000 2.213 228 M HA -0.087 4.401 4.480 0.014 0.000 0.263 228 M C 2.184 178.466 176.300 -0.029 0.000 1.062 228 M CA 1.456 56.801 55.300 0.075 0.000 1.105 228 M CB -0.333 32.286 32.600 0.032 0.000 1.385 228 M HN 0.432 nan 8.290 nan 0.000 0.417 229 M N -1.822 117.632 119.600 -0.243 0.000 2.476 229 M HA 0.014 4.502 4.480 0.014 0.000 0.262 229 M C 0.596 176.323 176.300 -0.954 0.000 1.111 229 M CA 1.142 56.033 55.300 -0.682 0.000 1.127 229 M CB 0.321 32.166 32.600 -1.259 0.000 1.376 229 M HN 0.156 nan 8.290 nan 0.000 0.465 230 F N -1.312 118.552 119.950 -0.144 0.000 2.798 230 F HA 0.390 4.925 4.527 0.014 0.000 0.328 230 F C 1.470 177.417 175.800 0.245 0.000 1.098 230 F CA 0.207 58.142 58.000 -0.109 0.000 1.172 230 F CB 0.717 39.525 39.000 -0.320 0.000 1.072 230 F HN 0.227 nan 8.300 nan 0.000 0.555 231 G N 1.268 110.329 108.800 0.434 0.000 2.179 231 G HA2 -0.269 3.700 3.960 0.014 0.000 0.260 231 G HA3 -0.269 3.700 3.960 0.014 0.000 0.260 231 G C 0.023 175.156 174.900 0.389 0.000 0.977 231 G CA 0.470 45.800 45.100 0.384 0.000 0.641 231 G HN 0.505 nan 8.290 nan 0.000 0.533 232 E N -1.179 119.314 120.200 0.487 0.000 2.430 232 E HA 0.603 4.961 4.350 0.014 0.000 0.279 232 E C 0.306 177.194 176.600 0.480 0.000 1.003 232 E CA -0.740 55.981 56.400 0.535 0.000 0.801 232 E CB 0.577 30.521 29.700 0.408 0.000 1.313 232 E HN 0.884 nan 8.360 nan 0.000 0.459 233 G N 0.878 109.862 108.800 0.307 0.000 2.527 233 G HA2 0.315 4.283 3.960 0.014 0.000 0.248 233 G HA3 0.315 4.283 3.960 0.014 0.000 0.248 233 G C -1.547 173.201 174.900 -0.253 0.000 1.231 233 G CA -1.208 43.919 45.100 0.044 0.000 0.838 233 G HN 0.481 nan 8.290 nan 0.000 0.570 234 P HA -0.018 nan 4.420 nan 0.000 0.233 234 P C -0.150 176.446 177.300 -1.172 0.000 1.167 234 P CA 0.988 63.248 63.100 -1.400 0.000 0.770 234 P CB 0.165 30.660 31.700 -2.009 0.000 0.837 235 Y N -0.968 119.148 120.300 -0.307 0.000 2.682 235 Y HA 0.202 4.760 4.550 0.014 0.000 0.251 235 Y C 1.424 177.297 175.900 -0.044 0.000 1.172 235 Y CA -0.446 57.560 58.100 -0.156 0.000 1.186 235 Y CB -0.258 38.117 38.460 -0.142 0.000 1.216 235 Y HN -0.161 nan 8.280 nan 0.000 0.540 236 D N 0.411 120.837 120.400 0.044 0.000 2.162 236 D HA -0.131 4.517 4.640 0.014 0.000 0.203 236 D C 2.413 178.824 176.300 0.184 0.000 0.967 236 D CA 1.591 55.678 54.000 0.146 0.000 0.840 236 D CB -0.200 40.678 40.800 0.130 0.000 0.972 236 D HN 0.394 nan 8.370 nan 0.000 0.482 237 M N 0.446 120.119 119.600 0.121 0.000 2.175 237 M HA -0.072 4.417 4.480 0.014 0.000 0.264 237 M C 2.639 179.002 176.300 0.106 0.000 1.063 237 M CA 1.200 56.564 55.300 0.106 0.000 1.119 237 M CB -1.476 31.169 32.600 0.075 0.000 1.377 237 M HN 0.018 nan 8.290 nan 0.000 0.415 238 V N -0.383 119.605 119.914 0.123 0.000 2.261 238 V HA -0.229 3.899 4.120 0.014 0.000 0.246 238 V C 2.366 178.546 176.094 0.144 0.000 1.047 238 V CA 2.366 64.739 62.300 0.122 0.000 1.015 238 V CB -1.169 30.744 31.823 0.151 0.000 0.642 238 V HN 0.754 nan 8.190 nan 0.000 0.446 239 F N 1.713 121.692 119.950 0.049 0.000 2.043 239 F HA -0.293 4.242 4.527 0.013 0.000 0.297 239 F C 2.627 178.450 175.800 0.038 0.000 1.121 239 F CA 2.711 60.736 58.000 0.042 0.000 1.199 239 F CB -0.953 38.078 39.000 0.053 0.000 0.968 239 F HN 0.207 nan 8.300 nan 0.000 0.478 240 Q N 0.306 120.143 119.800 0.062 0.000 2.224 240 Q HA 0.010 4.359 4.340 0.014 0.000 0.203 240 Q C 1.841 177.806 176.000 -0.059 0.000 0.970 240 Q CA 1.900 57.680 55.803 -0.037 0.000 0.865 240 Q CB -1.485 27.310 28.738 0.095 0.000 0.922 240 Q HN 0.566 nan 8.270 nan 0.000 0.445 241 K N -0.171 120.217 120.400 -0.020 0.000 2.577 241 K HA 0.518 4.846 4.320 0.014 0.000 0.210 241 K C 1.667 178.241 176.600 -0.044 0.000 1.048 241 K CA 0.776 57.051 56.287 -0.020 0.000 1.188 241 K CB -1.132 31.374 32.500 0.011 0.000 0.910 241 K HN 1.541 nan 8.250 nan 0.000 0.483 242 G N -1.063 107.678 108.800 -0.099 0.000 2.205 242 G HA2 -0.301 3.667 3.960 0.014 0.000 0.269 242 G HA3 -0.301 3.667 3.960 0.014 0.000 0.269 242 G C 0.604 175.470 174.900 -0.057 0.000 0.977 242 G CA 1.392 46.429 45.100 -0.106 0.000 0.652 242 G HN 1.155 nan 8.290 nan 0.000 0.539 243 D N -0.482 119.904 120.400 -0.024 0.000 2.414 243 D HA 0.692 5.340 4.640 0.014 0.000 0.259 243 D C 0.773 177.073 176.300 0.000 0.000 1.269 243 D CA 0.656 54.650 54.000 -0.010 0.000 1.028 243 D CB 0.247 41.047 40.800 -0.001 0.000 1.093 243 D HN 1.088 nan 8.370 nan 0.000 0.545 244 S N -0.625 115.067 115.700 -0.013 0.000 2.400 244 S HA 0.305 4.784 4.470 0.014 0.000 0.295 244 S C 1.168 175.728 174.600 -0.066 0.000 1.113 244 S CA -0.475 57.706 58.200 -0.030 0.000 1.064 244 S CB 0.258 63.425 63.200 -0.054 0.000 0.990 244 S HN 0.492 nan 8.310 nan 0.000 0.502 245 V N 5.959 125.848 119.914 -0.043 0.000 2.343 245 V HA -0.177 3.951 4.120 0.014 0.000 0.247 245 V C 2.866 178.700 176.094 -0.434 0.000 1.051 245 V CA 2.291 64.507 62.300 -0.139 0.000 1.036 245 V CB -1.461 30.359 31.823 -0.006 0.000 0.654 245 V HN 0.965 nan 8.190 nan 0.000 0.451 246 A N -0.297 122.227 122.820 -0.494 0.000 1.917 246 A HA -0.206 4.122 4.320 0.014 0.000 0.219 246 A C 2.240 179.441 177.584 -0.639 0.000 1.182 246 A CA 2.043 53.510 52.037 -0.949 0.000 0.633 246 A CB -0.525 18.170 19.000 -0.508 0.000 0.819 246 A HN 0.518 nan 8.150 nan 0.000 0.448 247 L N -1.253 119.760 121.223 -0.350 0.000 2.072 247 L HA -0.110 4.238 4.340 0.014 0.000 0.205 247 L C 3.132 179.868 176.870 -0.222 0.000 1.079 247 L CA 0.862 55.559 54.840 -0.239 0.000 0.752 247 L CB -0.566 41.411 42.059 -0.138 0.000 0.906 247 L HN 0.438 nan 8.230 nan 0.000 0.436 248 A N -0.126 122.567 122.820 -0.211 0.000 1.865 248 A HA -0.186 4.142 4.320 0.014 0.000 0.217 248 A C 2.317 179.777 177.584 -0.206 0.000 1.191 248 A CA 1.956 53.920 52.037 -0.121 0.000 0.623 248 A CB -0.972 18.020 19.000 -0.015 0.000 0.826 248 A HN 0.181 nan 8.150 nan 0.000 0.444 249 V N -0.167 119.408 119.914 -0.566 0.000 2.392 249 V HA -0.304 3.825 4.120 0.014 0.000 0.249 249 V C 3.240 179.145 176.094 -0.314 0.000 1.059 249 V CA 2.697 64.631 62.300 -0.611 0.000 1.051 249 V CB -1.319 30.006 31.823 -0.831 0.000 0.658 249 V HN 0.831 nan 8.190 nan 0.000 0.455 250 Q N -0.281 119.324 119.800 -0.326 0.000 2.311 250 Q HA 0.023 4.371 4.340 0.014 0.000 0.203 250 Q C 1.227 177.169 176.000 -0.096 0.000 0.954 250 Q CA 1.248 56.922 55.803 -0.214 0.000 0.885 250 Q CB -1.371 27.236 28.738 -0.219 0.000 0.963 250 Q HN 0.899 nan 8.270 nan 0.000 0.471 251 N N -1.252 117.413 118.700 -0.059 0.000 2.447 251 N HA 0.686 5.434 4.740 0.014 0.000 0.271 251 N C 0.203 175.755 175.510 0.069 0.000 1.226 251 N CA 0.448 53.499 53.050 0.002 0.000 0.980 251 N CB 0.445 38.932 38.487 0.000 0.000 1.206 251 N HN 1.109 nan 8.380 nan 0.000 0.558 256 P HA 0.588 nan 4.420 nan 0.000 0.272 256 P C -0.716 176.815 177.300 0.386 0.000 1.223 256 P CA -0.040 63.193 63.100 0.221 0.000 0.784 256 P CB 0.585 32.315 31.700 0.050 0.000 0.923 257 Q N 0.238 120.089 119.800 0.085 0.000 3.091 257 Q HA 0.219 4.567 4.340 0.014 0.000 0.301 257 Q C 0.031 176.039 176.000 0.013 0.000 1.337 257 Q CA -0.029 55.720 55.803 -0.090 0.000 1.083 257 Q CB -0.260 28.251 28.738 -0.378 0.000 1.477 257 Q HN 0.272 nan 8.270 nan 0.000 0.537 258 S N 1.913 117.702 115.700 0.148 0.000 2.506 258 S HA 0.095 4.574 4.470 0.014 0.000 0.291 258 S C -1.812 172.747 174.600 -0.067 0.000 1.230 258 S CA -1.178 57.050 58.200 0.047 0.000 1.107 258 S CB 0.400 63.642 63.200 0.069 0.000 0.942 258 S HN 0.273 nan 8.310 nan 0.000 0.502 259 P HA 0.034 nan 4.420 nan 0.000 0.288 259 P C 0.206 177.399 177.300 -0.178 0.000 1.448 259 P CA 0.304 63.336 63.100 -0.112 0.000 0.764 259 P CB -0.184 31.465 31.700 -0.085 0.000 1.472 260 R N -1.649 118.645 120.500 -0.343 0.000 2.317 260 R HA 0.125 4.473 4.340 0.014 0.000 0.208 260 R C -0.002 175.968 176.300 -0.549 0.000 0.914 260 R CA 0.176 55.992 56.100 -0.473 0.000 1.060 260 R CB -0.270 29.645 30.300 -0.641 0.000 1.015 260 R HN 0.451 nan 8.270 nan 0.000 0.498 261 H N 0.282 119.299 119.070 -0.088 0.000 2.609 261 H HA 0.171 4.735 4.556 0.014 0.000 0.344 261 H C -0.159 175.156 175.328 -0.021 0.000 1.040 261 H CA -0.754 55.260 56.048 -0.058 0.000 1.216 261 H CB 1.636 31.365 29.762 -0.055 0.000 1.529 261 H HN 0.042 nan 8.280 nan 0.000 0.519 262 S N 1.402 117.170 115.700 0.114 0.000 2.559 262 S HA -0.093 4.386 4.470 0.014 0.000 0.282 262 S C 1.593 176.263 174.600 0.117 0.000 1.336 262 S CA 0.005 58.251 58.200 0.077 0.000 1.037 262 S CB 0.962 64.201 63.200 0.065 0.000 0.853 262 S HN 0.829 nan 8.310 nan 0.000 0.523 263 S N 2.150 117.895 115.700 0.075 0.000 2.423 263 S HA -0.028 4.450 4.470 0.014 0.000 0.231 263 S C 1.984 176.700 174.600 0.193 0.000 1.014 263 S CA 0.524 58.794 58.200 0.117 0.000 0.965 263 S CB -1.095 62.115 63.200 0.016 0.000 0.785 263 S HN 1.149 nan 8.310 nan 0.000 0.495 264 A N 2.014 124.907 122.820 0.122 0.000 1.883 264 A HA 0.011 4.339 4.320 0.014 0.000 0.217 264 A C 2.217 179.865 177.584 0.108 0.000 1.186 264 A CA 1.694 53.794 52.037 0.105 0.000 0.624 264 A CB -0.941 18.099 19.000 0.067 0.000 0.822 264 A HN 0.535 nan 8.150 nan 0.000 0.444 265 L N -2.081 119.207 121.223 0.108 0.000 2.093 265 L HA -0.067 4.281 4.340 0.014 0.000 0.208 265 L C 2.117 179.032 176.870 0.076 0.000 1.085 265 L CA 1.886 56.763 54.840 0.062 0.000 0.755 265 L CB -0.612 41.471 42.059 0.040 0.000 0.904 265 L HN 0.644 nan 8.230 nan 0.000 0.435 266 W N 0.074 121.351 121.300 -0.037 0.000 2.402 266 W HA -0.178 4.490 4.660 0.014 0.000 0.286 266 W C 2.472 178.985 176.519 -0.010 0.000 1.221 266 W CA 1.552 58.881 57.345 -0.026 0.000 1.257 266 W CB 0.033 29.496 29.460 0.006 0.000 1.120 266 W HN 0.216 nan 8.180 nan 0.000 0.551 267 Q N -0.002 119.942 119.800 0.239 0.000 2.119 267 Q HA -0.185 4.163 4.340 0.014 0.000 0.201 267 Q C 2.290 178.259 176.000 -0.050 0.000 0.972 267 Q CA 1.700 57.559 55.803 0.093 0.000 0.847 267 Q CB -0.475 28.358 28.738 0.157 0.000 0.903 267 Q HN 0.363 nan 8.270 nan 0.000 0.433 268 L N 0.092 121.294 121.223 -0.035 0.000 1.994 268 L HA -0.228 4.120 4.340 0.014 0.000 0.208 268 L C 2.357 179.152 176.870 -0.126 0.000 1.071 268 L CA 0.804 55.607 54.840 -0.061 0.000 0.745 268 L CB -0.421 41.613 42.059 -0.041 0.000 0.892 268 L HN 0.297 nan 8.230 nan 0.000 0.431 269 L N 0.035 121.147 121.223 -0.185 0.000 2.042 269 L HA -0.247 4.102 4.340 0.014 0.000 0.210 269 L C 2.270 178.957 176.870 -0.305 0.000 1.076 269 L CA 1.812 56.507 54.840 -0.241 0.000 0.749 269 L CB -0.747 41.146 42.059 -0.277 0.000 0.893 269 L HN 0.242 nan 8.230 nan 0.000 0.432 270 N N -0.405 118.041 118.700 -0.423 0.000 2.084 270 N HA -0.191 4.557 4.740 0.014 0.000 0.190 270 N C 2.124 177.512 175.510 -0.202 0.000 1.030 270 N CA 1.707 54.521 53.050 -0.394 0.000 0.849 270 N CB -0.444 37.743 38.487 -0.499 0.000 1.012 270 N HN 0.665 nan 8.380 nan 0.000 0.423 271 S N 0.217 115.832 115.700 -0.141 0.000 2.382 271 S HA -0.114 4.365 4.470 0.014 0.000 0.228 271 S C 2.080 176.648 174.600 -0.053 0.000 1.027 271 S CA 1.017 59.178 58.200 -0.067 0.000 0.991 271 S CB -0.322 62.855 63.200 -0.039 0.000 0.823 271 S HN 0.247 nan 8.310 nan 0.000 0.469 272 M N 0.502 120.048 119.600 -0.091 0.000 2.132 272 M HA 0.169 4.657 4.480 0.014 0.000 0.263 272 M C 1.465 177.697 176.300 -0.114 0.000 1.065 272 M CA 1.216 56.466 55.300 -0.082 0.000 1.122 272 M CB -0.417 32.111 32.600 -0.120 0.000 1.365 272 M HN 0.293 nan 8.290 nan 0.000 0.411 273 M N 1.523 120.979 119.600 -0.240 0.000 3.310 273 M HA 0.082 4.570 4.480 0.014 0.000 0.233 273 M C 0.277 176.580 176.300 0.005 0.000 1.267 273 M CA -0.139 54.922 55.300 -0.400 0.000 1.301 273 M CB -0.679 31.552 32.600 -0.615 0.000 1.186 273 M HN 0.145 nan 8.290 nan 0.000 0.515 274 T N -2.973 111.679 114.554 0.163 0.000 2.845 274 T HA 0.327 4.686 4.350 0.014 0.000 0.288 274 T C 1.040 175.956 174.700 0.360 0.000 0.980 274 T CA -0.873 61.353 62.100 0.209 0.000 1.071 274 T CB 1.898 70.827 68.868 0.101 0.000 0.941 274 T HN 0.076 nan 8.240 nan 0.000 0.487 275 V N 1.615 121.685 119.914 0.260 0.000 2.407 275 V HA 0.020 4.149 4.120 0.014 0.000 0.245 275 V C 1.331 177.427 176.094 0.002 0.000 1.041 275 V CA 1.313 63.673 62.300 0.101 0.000 1.040 275 V CB -0.646 31.201 31.823 0.040 0.000 0.671 275 V HN 0.968 nan 8.190 nan 0.000 0.455 276 D N 1.300 121.718 120.400 0.030 0.000 2.346 276 D HA 0.067 4.715 4.640 0.014 0.000 0.260 276 D C -1.302 175.032 176.300 0.056 0.000 1.252 276 D CA -2.176 51.830 54.000 0.010 0.000 0.895 276 D CB 1.471 42.278 40.800 0.012 0.000 1.097 276 D HN 0.163 nan 8.370 nan 0.000 0.489 277 P HA -0.155 nan 4.420 nan 0.000 0.222 277 P C 0.972 178.357 177.300 0.142 0.000 1.147 277 P CA 1.093 64.246 63.100 0.089 0.000 0.790 277 P CB 0.085 31.830 31.700 0.075 0.000 0.780 278 H N -0.343 118.716 119.070 -0.018 0.000 2.457 278 H HA -0.006 4.559 4.556 0.014 0.000 0.294 278 H C 1.390 176.713 175.328 -0.009 0.000 1.064 278 H CA 0.631 56.672 56.048 -0.011 0.000 1.330 278 H CB 0.283 30.046 29.762 0.002 0.000 1.395 278 H HN 0.172 nan 8.280 nan 0.000 0.541 279 Q N 0.533 120.402 119.800 0.116 0.000 2.280 279 Q HA 0.097 4.445 4.340 0.014 0.000 0.201 279 Q C 0.484 176.505 176.000 0.034 0.000 0.890 279 Q CA 0.009 55.851 55.803 0.065 0.000 0.947 279 Q CB 0.606 29.383 28.738 0.065 0.000 1.081 279 Q HN 0.320 nan 8.270 nan 0.000 0.502 280 R N 2.377 122.886 120.500 0.015 0.000 2.349 280 R HA 0.283 4.631 4.340 0.014 0.000 0.299 280 R C -2.322 173.926 176.300 -0.087 0.000 1.027 280 R CA -1.660 54.438 56.100 -0.003 0.000 0.958 280 R CB 0.919 31.240 30.300 0.035 0.000 1.047 280 R HN -0.093 nan 8.270 nan 0.000 0.468 281 P HA 0.078 nan 4.420 nan 0.000 0.274 281 P C -0.898 176.323 177.300 -0.131 0.000 1.237 281 P CA -0.078 62.984 63.100 -0.064 0.000 0.793 281 P CB 0.780 32.484 31.700 0.006 0.000 0.977 282 H N 0.599 119.693 119.070 0.040 0.000 2.508 282 H HA 0.136 4.700 4.556 0.014 0.000 0.358 282 H C 1.467 176.834 175.328 0.065 0.000 1.212 282 H CA -0.518 55.564 56.048 0.057 0.000 1.356 282 H CB 0.916 30.704 29.762 0.043 0.000 1.525 282 H HN 0.231 nan 8.280 nan 0.000 0.578 283 I N 2.378 123.089 120.570 0.236 0.000 2.163 283 I HA -0.168 4.010 4.170 0.014 0.000 0.243 283 I C -0.739 175.432 176.117 0.091 0.000 1.085 283 I CA 1.010 62.389 61.300 0.131 0.000 1.347 283 I CB -1.243 36.821 38.000 0.106 0.000 1.044 283 I HN 0.542 nan 8.210 nan 0.000 0.408 284 P HA -0.186 nan 4.420 nan 0.000 0.216 284 P C 1.978 179.313 177.300 0.059 0.000 1.150 284 P CA 1.166 64.305 63.100 0.064 0.000 0.843 284 P CB -0.010 31.722 31.700 0.054 0.000 0.787 285 L N -1.103 120.167 121.223 0.079 0.000 2.027 285 L HA -0.096 4.252 4.340 0.014 0.000 0.206 285 L C 2.221 179.119 176.870 0.047 0.000 1.074 285 L CA 1.663 56.541 54.840 0.063 0.000 0.745 285 L CB -1.358 40.748 42.059 0.078 0.000 0.898 285 L HN -0.131 nan 8.230 nan 0.000 0.433 286 L N -1.202 120.049 121.223 0.046 0.000 2.042 286 L HA -0.276 4.073 4.340 0.014 0.000 0.210 286 L C 2.543 179.423 176.870 0.016 0.000 1.076 286 L CA 1.431 56.286 54.840 0.025 0.000 0.749 286 L CB -0.562 41.507 42.059 0.017 0.000 0.893 286 L HN 0.314 nan 8.230 nan 0.000 0.432 287 L N -1.034 120.199 121.223 0.017 0.000 2.046 287 L HA -0.221 4.127 4.340 0.014 0.000 0.208 287 L C 2.714 179.594 176.870 0.017 0.000 1.077 287 L CA 1.192 56.038 54.840 0.009 0.000 0.747 287 L CB -0.444 41.620 42.059 0.009 0.000 0.896 287 L HN 0.224 nan 8.230 nan 0.000 0.432 288 S N -0.623 115.091 115.700 0.024 0.000 2.370 288 S HA -0.266 4.212 4.470 0.014 0.000 0.226 288 S C 1.907 176.522 174.600 0.025 0.000 1.033 288 S CA 1.383 59.598 58.200 0.025 0.000 1.011 288 S CB -0.266 62.951 63.200 0.028 0.000 0.852 288 S HN 0.474 nan 8.310 nan 0.000 0.457 289 Q N 0.068 119.882 119.800 0.024 0.000 2.079 289 Q HA -0.001 4.347 4.340 0.014 0.000 0.200 289 Q C 2.238 178.252 176.000 0.022 0.000 0.974 289 Q CA 0.875 56.692 55.803 0.024 0.000 0.840 289 Q CB -0.278 28.474 28.738 0.023 0.000 0.898 289 Q HN 0.305 nan 8.270 nan 0.000 0.430 290 L N 1.373 122.606 121.223 0.017 0.000 1.994 290 L HA -0.191 4.158 4.340 0.014 0.000 0.208 290 L C 1.741 178.625 176.870 0.024 0.000 1.071 290 L CA 1.900 56.749 54.840 0.016 0.000 0.745 290 L CB -0.358 41.703 42.059 0.003 0.000 0.892 290 L HN 0.158 nan 8.230 nan 0.000 0.431 291 E N -0.874 119.341 120.200 0.024 0.000 2.265 291 E HA -0.160 4.199 4.350 0.014 0.000 0.196 291 E C 2.038 178.657 176.600 0.032 0.000 0.996 291 E CA 0.798 57.216 56.400 0.031 0.000 0.832 291 E CB -0.240 29.477 29.700 0.028 0.000 0.756 291 E HN 0.606 nan 8.360 nan 0.000 0.491 292 A N 0.564 123.402 122.820 0.029 0.000 2.066 292 A HA -0.090 4.239 4.320 0.014 0.000 0.218 292 A C 1.746 179.348 177.584 0.029 0.000 1.157 292 A CA 0.695 52.749 52.037 0.028 0.000 0.670 292 A CB -0.031 18.985 19.000 0.026 0.000 0.804 292 A HN 0.100 nan 8.150 nan 0.000 0.453 293 L N -0.263 120.979 121.223 0.032 0.000 2.610 293 L HA 0.034 4.382 4.340 0.014 0.000 0.232 293 L C 0.638 177.531 176.870 0.038 0.000 1.149 293 L CA 0.725 55.585 54.840 0.034 0.000 0.872 293 L CB -1.377 40.704 42.059 0.037 0.000 0.992 293 L HN 0.522 nan 8.230 nan 0.000 0.447 294 Q N -0.416 119.408 119.800 0.041 0.000 2.448 294 Q HA -0.188 4.160 4.340 0.014 0.000 0.356 294 Q C -1.851 174.183 176.000 0.057 0.000 1.430 294 Q CA -0.299 55.531 55.803 0.045 0.000 1.011 294 Q CB -1.450 27.309 28.738 0.034 0.000 1.203 294 Q HN 0.296 nan 8.270 nan 0.000 0.351 295 P HA 0.105 nan 4.420 nan 0.000 0.267 295 P C -2.091 175.284 177.300 0.124 0.000 1.205 295 P CA -0.726 62.442 63.100 0.112 0.000 0.765 295 P CB 0.207 31.997 31.700 0.150 0.000 0.828 296 P HA 0.270 nan 4.420 nan 0.000 0.284 296 P C -0.577 176.680 177.300 -0.070 0.000 1.253 296 P CA -0.429 62.677 63.100 0.009 0.000 0.800 296 P CB 0.972 32.656 31.700 -0.026 0.000 0.961 297 A N 5.313 128.005 122.820 -0.214 0.000 2.386 297 A HA 0.459 4.787 4.320 0.014 0.000 0.246 297 A C -1.847 175.366 177.584 -0.620 0.000 1.089 297 A CA -0.860 50.762 52.037 -0.692 0.000 0.790 297 A CB -1.373 17.304 19.000 -0.538 0.000 1.042 297 A HN 0.489 nan 8.150 nan 0.000 0.497 298 P HA 0.573 nan 4.420 nan 0.000 0.279 298 P C 0.122 177.237 177.300 -0.308 0.000 1.239 298 P CA 0.542 63.353 63.100 -0.481 0.000 0.789 298 P CB 1.201 32.608 31.700 -0.488 0.000 0.933 299 G N 0.000 108.681 108.800 -0.198 0.000 5.446 299 G HA2 0.000 3.968 3.960 0.014 0.000 0.244 299 G HA3 0.000 3.968 3.960 0.014 0.000 0.244 299 G CA 0.000 45.017 45.100 -0.138 0.000 0.502 299 G HN 0.000 nan 8.290 nan 0.000 0.925