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 2ax0_1_A DATA FIRST_RESID 1 DATA SEQUENCE SMSYTWTGAL ITPCAAEESK LPINALSNSL LRHHNMVYAT TSRSAGLRQK DATA SEQUENCE KVTFDRLQVL DDHYRDVLKE MKAKASTVKA KLLSVEEACK LTPPHSAKSK DATA SEQUENCE FGYGAKDVRN LSSKAVNHIH SVWKDLLEDT VTPIDTTIMA KNEVFCVQPE DATA SEQUENCE KGGRKPARLI VFPDLGVRVC EKMALYDVVS TLPQVVMGSS YGFQYSPGQR DATA SEQUENCE VEFLVNTWKS KKNPMGFSYD TRCFDSTVTE NDIRVEESIY QCCDLAPEAR DATA SEQUENCE QAIKSLTERL YIGGPLTNSK GQNCGYRRCR ASGVLTTSCG NTLTCYLKAS DATA SEQUENCE AACRAAKLQD CTMLVNGDDL VVICESAGTQ EDAASLRVFT EAMTRYSAPP DATA SEQUENCE GDPPQPEYDL ELITSCSSNV SVAHDASGKR VYYLTRDPTT PLARAAWETA DATA SEQUENCE RHTPVNSWLG NIIMYAPTLW ARMILMTHFF SILLAQEQLE KALDCQIYGA DATA SEQUENCE CYSIEPLDLP QIIERLHGLS AFSLHSYSPG EINRVASCLR KLGVPPLRAW DATA SEQUENCE RHRARNVRAR LLSRGGRAAI CGKYLFNWAV KTKLKLTPIA XXXXXXXXSW DATA SEQUENCE FTAGYSGGDI YH 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 S HA 0.000 nan 4.470 nan 0.000 0.327 1 S C 0.000 174.557 174.600 -0.072 0.000 1.055 1 S CA 0.000 58.171 58.200 -0.048 0.000 1.107 1 S CB 0.000 63.164 63.200 -0.060 0.000 0.593 2 M N 3.335 122.888 119.600 -0.078 0.000 2.219 2 M HA 0.226 4.706 4.480 -0.000 0.000 0.353 2 M C 1.948 178.119 176.300 -0.215 0.000 1.304 2 M CA 0.181 55.416 55.300 -0.109 0.000 1.115 2 M CB 0.608 33.169 32.600 -0.065 0.000 1.664 2 M HN 1.058 nan 8.290 nan 0.000 0.459 3 S N 3.340 118.837 115.700 -0.338 0.000 2.387 3 S HA -0.124 4.346 4.470 -0.000 0.000 0.230 3 S C 0.198 174.382 174.600 -0.693 0.000 1.035 3 S CA 1.083 58.970 58.200 -0.521 0.000 1.014 3 S CB -0.208 62.605 63.200 -0.646 0.000 0.836 3 S HN 0.658 nan 8.310 nan 0.000 0.466 4 Y N -0.550 119.552 120.300 -0.331 0.000 2.588 4 Y HA 0.588 5.138 4.550 -0.000 0.000 0.343 4 Y C -0.287 175.274 175.900 -0.565 0.000 1.065 4 Y CA -1.024 56.745 58.100 -0.551 0.000 1.038 4 Y CB 2.191 40.136 38.460 -0.859 0.000 1.297 4 Y HN -0.162 nan 8.280 nan 0.000 0.467 5 T N 1.536 115.789 114.554 -0.502 0.000 2.879 5 T HA 0.375 4.724 4.350 -0.000 0.000 0.290 5 T C -1.566 172.896 174.700 -0.396 0.000 0.993 5 T CA -0.789 61.126 62.100 -0.309 0.000 0.975 5 T CB 0.468 69.272 68.868 -0.108 0.000 0.981 5 T HN 0.445 nan 8.240 nan 0.000 0.439 6 W N 1.527 122.881 121.300 0.090 0.000 2.606 6 W HA 0.409 5.069 4.660 -0.000 0.000 0.332 6 W C 1.593 178.141 176.519 0.048 0.000 1.052 6 W CA -0.925 56.459 57.345 0.064 0.000 1.223 6 W CB 1.035 30.517 29.460 0.035 0.000 1.383 6 W HN 0.759 nan 8.180 nan 0.000 0.524 7 T N -2.084 112.646 114.554 0.293 0.000 2.937 7 T HA 0.294 4.644 4.350 -0.000 0.000 0.260 7 T C 1.451 176.235 174.700 0.141 0.000 1.051 7 T CA 1.231 63.433 62.100 0.170 0.000 1.141 7 T CB -0.116 68.830 68.868 0.130 0.000 0.879 7 T HN 1.058 nan 8.240 nan 0.000 0.459 8 G N 1.230 110.118 108.800 0.147 0.000 2.617 8 G HA2 0.139 4.099 3.960 -0.000 0.000 0.197 8 G HA3 0.139 4.099 3.960 -0.000 0.000 0.197 8 G C 0.395 175.323 174.900 0.046 0.000 1.017 8 G CA -0.120 45.024 45.100 0.074 0.000 0.713 8 G HN 1.015 nan 8.290 nan 0.000 0.481 9 A N 1.227 124.087 122.820 0.067 0.000 2.531 9 A HA 0.602 4.921 4.320 -0.000 0.000 0.236 9 A C 0.720 178.317 177.584 0.021 0.000 1.062 9 A CA 0.371 52.436 52.037 0.045 0.000 0.760 9 A CB 0.073 19.109 19.000 0.061 0.000 0.995 9 A HN 0.868 nan 8.150 nan 0.000 0.501 10 L N 1.806 123.028 121.223 -0.002 0.000 2.439 10 L HA 0.332 4.672 4.340 -0.000 0.000 0.261 10 L C 0.141 176.998 176.870 -0.022 0.000 1.153 10 L CA -0.395 54.425 54.840 -0.033 0.000 0.808 10 L CB 0.738 42.778 42.059 -0.031 0.000 1.126 10 L HN 0.555 nan 8.230 nan 0.000 0.460 11 I N 1.537 122.076 120.570 -0.051 0.000 2.379 11 I HA 0.103 4.273 4.170 -0.000 0.000 0.290 11 I C 0.433 176.545 176.117 -0.008 0.000 1.063 11 I CA -0.019 61.267 61.300 -0.024 0.000 1.351 11 I CB 0.830 38.797 38.000 -0.054 0.000 1.410 11 I HN 0.669 nan 8.210 nan 0.000 0.505 12 T N 4.997 119.558 114.554 0.012 0.000 2.925 12 T HA 0.598 4.947 4.350 -0.000 0.000 0.285 12 T C -2.533 172.187 174.700 0.032 0.000 1.021 12 T CA -2.075 60.035 62.100 0.017 0.000 1.042 12 T CB 1.888 70.766 68.868 0.016 0.000 1.037 12 T HN 0.274 nan 8.240 nan 0.000 0.481 13 P HA 0.269 nan 4.420 nan 0.000 0.281 13 P C 0.813 178.139 177.300 0.043 0.000 1.249 13 P CA -0.770 62.356 63.100 0.044 0.000 0.810 13 P CB 0.959 32.684 31.700 0.042 0.000 1.008 14 C N 0.126 119.456 119.300 0.050 0.000 2.780 14 C HA 0.734 5.194 4.460 -0.000 0.000 0.267 14 C C 0.866 175.879 174.990 0.038 0.000 1.266 14 C CA 0.118 59.163 59.018 0.045 0.000 1.709 14 C CB -1.048 26.725 27.740 0.056 0.000 1.975 14 C HN 0.701 nan 8.230 nan 0.000 0.582 15 A N 0.110 122.955 122.820 0.042 0.000 2.581 15 A HA 0.787 5.107 4.320 -0.000 0.000 0.290 15 A C -0.327 177.285 177.584 0.046 0.000 1.119 15 A CA 0.024 52.085 52.037 0.040 0.000 0.670 15 A CB -0.167 18.857 19.000 0.040 0.000 1.280 15 A HN 1.367 nan 8.150 nan 0.000 0.425 16 A N 0.173 123.020 122.820 0.046 0.000 2.561 16 A HA 0.463 4.783 4.320 -0.000 0.000 0.234 16 A C 0.007 177.633 177.584 0.069 0.000 1.055 16 A CA 0.605 52.673 52.037 0.052 0.000 0.756 16 A CB -0.343 18.686 19.000 0.048 0.000 0.986 16 A HN 0.604 nan 8.150 nan 0.000 0.505 17 E N 1.841 122.088 120.200 0.078 0.000 2.155 17 E HA 0.258 4.607 4.350 -0.000 0.000 0.264 17 E C -0.868 175.815 176.600 0.137 0.000 0.886 17 E CA -0.719 55.744 56.400 0.104 0.000 0.752 17 E CB 1.241 30.995 29.700 0.090 0.000 1.133 17 E HN 0.608 nan 8.360 nan 0.000 0.414 18 E N 1.358 121.675 120.200 0.195 0.000 2.338 18 E HA 0.074 4.424 4.350 -0.000 0.000 0.272 18 E C 0.416 177.249 176.600 0.389 0.000 1.029 18 E CA 0.037 56.596 56.400 0.264 0.000 0.872 18 E CB 1.500 31.371 29.700 0.286 0.000 1.015 18 E HN 0.598 nan 8.360 nan 0.000 0.417 19 S N 1.737 117.655 115.700 0.362 0.000 2.593 19 S HA 0.190 4.659 4.470 -0.000 0.000 0.235 19 S C 0.434 175.314 174.600 0.467 0.000 1.059 19 S CA -0.244 58.175 58.200 0.365 0.000 0.953 19 S CB 0.657 63.992 63.200 0.225 0.000 0.897 19 S HN 0.212 nan 8.310 nan 0.000 0.507 20 K N 0.984 121.626 120.400 0.403 0.000 2.259 20 K HA 0.560 4.879 4.320 -0.000 0.000 0.249 20 K C -1.540 175.196 176.600 0.227 0.000 0.942 20 K CA -0.915 55.581 56.287 0.349 0.000 0.816 20 K CB 1.956 34.580 32.500 0.206 0.000 1.155 20 K HN 0.105 nan 8.250 nan 0.000 0.428 21 L N 4.006 125.384 121.223 0.258 0.000 2.361 21 L HA 0.257 4.597 4.340 -0.000 0.000 0.278 21 L C -2.433 174.404 176.870 -0.054 0.000 1.113 21 L CA -1.390 53.466 54.840 0.026 0.000 0.849 21 L CB 0.062 42.252 42.059 0.219 0.000 1.155 21 L HN 0.421 nan 8.230 nan 0.000 0.452 22 P HA 0.204 nan 4.420 nan 0.000 0.272 22 P C -0.622 176.549 177.300 -0.216 0.000 1.230 22 P CA -0.192 62.797 63.100 -0.186 0.000 0.788 22 P CB 0.486 32.054 31.700 -0.219 0.000 0.949 23 I N 2.423 122.843 120.570 -0.251 0.000 2.379 23 I HA 0.143 4.313 4.170 -0.000 0.000 0.290 23 I C 0.694 176.712 176.117 -0.166 0.000 1.063 23 I CA 0.247 61.373 61.300 -0.290 0.000 1.351 23 I CB -0.209 37.618 38.000 -0.288 0.000 1.410 23 I HN 0.329 nan 8.210 nan 0.000 0.505 24 N N 5.200 123.821 118.700 -0.130 0.000 2.310 24 N HA 0.319 5.059 4.740 -0.000 0.000 0.292 24 N C 0.367 175.846 175.510 -0.052 0.000 1.049 24 N CA -0.310 52.688 53.050 -0.087 0.000 0.849 24 N CB 2.227 40.656 38.487 -0.096 0.000 1.532 24 N HN 0.591 nan 8.380 nan 0.000 0.479 25 A N 4.027 126.824 122.820 -0.038 0.000 1.940 25 A HA -0.106 4.214 4.320 -0.000 0.000 0.219 25 A C 2.000 179.582 177.584 -0.004 0.000 1.176 25 A CA 1.216 53.240 52.037 -0.021 0.000 0.631 25 A CB -0.444 18.543 19.000 -0.021 0.000 0.814 25 A HN 0.722 nan 8.150 nan 0.000 0.446 26 L N 0.124 121.346 121.223 -0.002 0.000 2.027 26 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 26 L C 2.982 179.909 176.870 0.095 0.000 1.074 26 L CA 1.675 56.531 54.840 0.026 0.000 0.745 26 L CB -0.681 41.373 42.059 -0.008 0.000 0.898 26 L HN 0.582 nan 8.230 nan 0.000 0.433 27 S N -0.980 114.749 115.700 0.048 0.000 2.406 27 S HA -0.093 4.377 4.470 -0.000 0.000 0.228 27 S C 1.738 176.356 174.600 0.031 0.000 1.020 27 S CA 0.663 58.888 58.200 0.042 0.000 0.965 27 S CB -0.436 62.774 63.200 0.016 0.000 0.798 27 S HN 0.380 nan 8.310 nan 0.000 0.488 28 N N 2.376 121.091 118.700 0.025 0.000 2.166 28 N HA -0.082 4.658 4.740 -0.000 0.000 0.186 28 N C 1.978 177.504 175.510 0.028 0.000 1.019 28 N CA 1.645 54.714 53.050 0.031 0.000 0.856 28 N CB -0.456 38.041 38.487 0.016 0.000 0.993 28 N HN 0.731 nan 8.380 nan 0.000 0.426 29 S N 0.233 115.952 115.700 0.032 0.000 2.474 29 S HA -0.074 4.396 4.470 -0.000 0.000 0.235 29 S C 1.865 176.497 174.600 0.053 0.000 0.997 29 S CA 0.464 58.675 58.200 0.019 0.000 0.949 29 S CB -0.136 63.080 63.200 0.027 0.000 0.766 29 S HN 0.235 nan 8.310 nan 0.000 0.517 30 L N 0.078 121.338 121.223 0.063 0.000 2.221 30 L HA 0.573 4.913 4.340 -0.000 0.000 0.202 30 L C 0.242 177.155 176.870 0.071 0.000 1.074 30 L CA 0.860 55.739 54.840 0.065 0.000 0.795 30 L CB 0.169 41.990 42.059 -0.397 0.000 0.960 30 L HN 0.511 nan 8.230 nan 0.000 0.458 31 L N -0.659 120.577 121.223 0.020 0.000 2.516 31 L HA 0.376 4.716 4.340 -0.000 0.000 0.267 31 L C 0.434 177.318 176.870 0.024 0.000 0.957 31 L CA -0.471 54.373 54.840 0.007 0.000 0.860 31 L CB 1.425 43.494 42.059 0.016 0.000 1.265 31 L HN 0.015 nan 8.230 nan 0.000 0.403 32 R N 1.550 122.029 120.500 -0.036 0.000 2.100 32 R HA 0.073 4.413 4.340 -0.000 0.000 0.220 32 R C 0.131 176.532 176.300 0.168 0.000 1.091 32 R CA 0.640 56.768 56.100 0.047 0.000 0.986 32 R CB -0.055 30.246 30.300 0.003 0.000 0.888 32 R HN 0.659 nan 8.270 nan 0.000 0.444 33 H N 1.175 120.273 119.070 0.048 0.000 3.220 33 H HA -0.009 4.547 4.556 -0.000 0.000 0.225 33 H C 0.877 176.195 175.328 -0.016 0.000 1.869 33 H CA -0.431 55.602 56.048 -0.026 0.000 1.428 33 H CB -0.139 29.616 29.762 -0.012 0.000 1.792 33 H HN 0.468 nan 8.280 nan 0.000 0.595 34 H N -0.618 118.550 119.070 0.163 0.000 2.456 34 H HA -0.097 4.459 4.556 -0.000 0.000 0.296 34 H C 1.402 176.816 175.328 0.143 0.000 1.079 34 H CA 0.913 57.039 56.048 0.130 0.000 1.322 34 H CB 0.049 29.862 29.762 0.086 0.000 1.388 34 H HN 0.357 nan 8.280 nan 0.000 0.538 35 N N 0.450 119.009 118.700 -0.236 0.000 2.453 35 N HA -0.056 4.684 4.740 -0.000 0.000 0.183 35 N C 1.243 176.795 175.510 0.069 0.000 1.041 35 N CA 1.107 54.125 53.050 -0.053 0.000 0.900 35 N CB -0.037 38.353 38.487 -0.162 0.000 0.961 35 N HN 0.551 nan 8.380 nan 0.000 0.443 36 M N 0.024 119.681 119.600 0.095 0.000 2.558 36 M HA 0.057 4.537 4.480 -0.000 0.000 0.255 36 M C 0.170 176.617 176.300 0.245 0.000 1.113 36 M CA 0.348 55.738 55.300 0.150 0.000 1.097 36 M CB 0.526 33.208 32.600 0.136 0.000 1.426 36 M HN -0.255 nan 8.290 nan 0.000 0.488 37 V N 1.243 121.307 119.914 0.251 0.000 2.465 37 V HA 0.282 4.402 4.120 -0.000 0.000 0.279 37 V C -0.681 175.627 176.094 0.355 0.000 1.045 37 V CA -0.621 61.833 62.300 0.256 0.000 0.938 37 V CB 0.377 32.357 31.823 0.261 0.000 0.986 37 V HN 0.330 nan 8.190 nan 0.000 0.467 38 Y N 2.388 122.780 120.300 0.152 0.000 2.625 38 Y HA 0.903 5.453 4.550 -0.000 0.000 0.338 38 Y C -0.509 175.340 175.900 -0.085 0.000 1.123 38 Y CA -1.417 56.757 58.100 0.123 0.000 1.046 38 Y CB 1.641 40.169 38.460 0.112 0.000 1.299 38 Y HN 0.682 nan 8.280 nan 0.000 0.464 39 A N 1.643 124.420 122.820 -0.072 0.000 2.331 39 A HA 0.650 4.970 4.320 -0.000 0.000 0.320 39 A C -0.149 177.486 177.584 0.085 0.000 1.138 39 A CA -0.419 51.427 52.037 -0.319 0.000 0.790 39 A CB 0.494 19.120 19.000 -0.623 0.000 1.206 39 A HN 1.076 nan 8.150 nan 0.000 0.470 40 T N 0.408 115.025 114.554 0.105 0.000 2.926 40 T HA 0.526 4.876 4.350 -0.000 0.000 0.307 40 T C 0.464 175.227 174.700 0.106 0.000 1.059 40 T CA 0.458 62.673 62.100 0.192 0.000 1.122 40 T CB 0.598 69.591 68.868 0.208 0.000 0.972 40 T HN 1.392 nan 8.240 nan 0.000 0.545 41 T N -1.767 112.848 114.554 0.101 0.000 2.864 41 T HA 0.494 4.844 4.350 -0.000 0.000 0.289 41 T C 1.404 176.135 174.700 0.053 0.000 1.082 41 T CA -0.264 61.880 62.100 0.075 0.000 1.009 41 T CB 1.239 70.155 68.868 0.080 0.000 1.234 41 T HN 0.735 nan 8.240 nan 0.000 0.526 42 S N -0.140 115.585 115.700 0.042 0.000 2.469 42 S HA -0.095 4.375 4.470 -0.000 0.000 0.238 42 S C 1.709 176.312 174.600 0.004 0.000 0.998 42 S CA 0.246 58.459 58.200 0.021 0.000 0.957 42 S CB -0.683 62.530 63.200 0.022 0.000 0.764 42 S HN 0.708 nan 8.310 nan 0.000 0.514 43 R N 1.548 122.057 120.500 0.013 0.000 2.241 43 R HA -0.002 4.338 4.340 -0.000 0.000 0.224 43 R C 1.889 178.180 176.300 -0.014 0.000 1.101 43 R CA 1.332 57.433 56.100 0.000 0.000 0.995 43 R CB -0.387 29.920 30.300 0.012 0.000 0.870 43 R HN 0.720 nan 8.270 nan 0.000 0.463 44 S N -1.084 114.611 115.700 -0.009 0.000 2.554 44 S HA 0.267 4.737 4.470 -0.000 0.000 0.226 44 S C 1.718 176.293 174.600 -0.043 0.000 0.980 44 S CA 0.080 58.266 58.200 -0.023 0.000 0.939 44 S CB 0.966 64.163 63.200 -0.004 0.000 0.832 44 S HN 0.240 nan 8.310 nan 0.000 0.486 45 A N 2.173 124.961 122.820 -0.054 0.000 1.948 45 A HA 0.099 4.419 4.320 -0.000 0.000 0.220 45 A C 2.268 179.754 177.584 -0.163 0.000 1.177 45 A CA 1.753 53.733 52.037 -0.094 0.000 0.636 45 A CB -1.702 17.239 19.000 -0.099 0.000 0.815 45 A HN 0.687 nan 8.150 nan 0.000 0.449 46 G N -0.198 108.504 108.800 -0.162 0.000 2.450 46 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.220 46 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.220 46 G C 1.497 176.305 174.900 -0.153 0.000 1.130 46 G CA 1.064 46.044 45.100 -0.199 0.000 0.760 46 G HN 0.483 nan 8.290 nan 0.000 0.557 47 L N -0.443 120.721 121.223 -0.098 0.000 2.093 47 L HA 0.048 4.388 4.340 -0.000 0.000 0.208 47 L C 2.846 179.686 176.870 -0.052 0.000 1.085 47 L CA 1.066 55.868 54.840 -0.063 0.000 0.755 47 L CB -0.364 41.668 42.059 -0.045 0.000 0.904 47 L HN 0.126 nan 8.230 nan 0.000 0.435 48 R N 0.600 121.063 120.500 -0.061 0.000 2.073 48 R HA -0.117 4.223 4.340 -0.000 0.000 0.229 48 R C 2.269 178.538 176.300 -0.051 0.000 1.120 48 R CA 1.412 57.493 56.100 -0.032 0.000 0.967 48 R CB -0.325 29.961 30.300 -0.024 0.000 0.862 48 R HN 0.353 nan 8.270 nan 0.000 0.436 49 Q N 0.088 119.781 119.800 -0.179 0.000 2.096 49 Q HA -0.217 4.123 4.340 -0.000 0.000 0.204 49 Q C 1.970 177.936 176.000 -0.057 0.000 0.982 49 Q CA 2.022 57.653 55.803 -0.287 0.000 0.850 49 Q CB -0.217 28.042 28.738 -0.799 0.000 0.901 49 Q HN 0.291 nan 8.270 nan 0.000 0.422 50 K N 1.195 121.560 120.400 -0.058 0.000 2.063 50 K HA -0.220 4.100 4.320 -0.000 0.000 0.208 50 K C 2.066 178.747 176.600 0.135 0.000 1.048 50 K CA 1.453 57.766 56.287 0.042 0.000 0.928 50 K CB -0.012 32.491 32.500 0.005 0.000 0.713 50 K HN -0.027 nan 8.250 nan 0.000 0.442 51 K N 0.599 121.069 120.400 0.117 0.000 2.103 51 K HA -0.077 4.242 4.320 -0.000 0.000 0.204 51 K C 1.738 178.538 176.600 0.333 0.000 1.052 51 K CA 1.342 57.731 56.287 0.170 0.000 0.945 51 K CB 0.137 32.702 32.500 0.108 0.000 0.722 51 K HN 0.206 nan 8.250 nan 0.000 0.443 52 V N -0.991 119.112 119.914 0.315 0.000 3.573 52 V HA 0.094 4.214 4.120 -0.000 0.000 0.270 52 V C 0.111 176.419 176.094 0.356 0.000 1.221 52 V CA 0.237 62.788 62.300 0.418 0.000 1.163 52 V CB -0.096 31.904 31.823 0.294 0.000 0.847 52 V HN 0.010 nan 8.190 nan 0.000 0.468 53 T N 4.186 118.979 114.554 0.399 0.000 2.770 53 T HA 0.734 5.084 4.350 -0.000 0.000 0.297 53 T C -0.751 174.136 174.700 0.312 0.000 0.997 53 T CA -0.057 62.229 62.100 0.309 0.000 0.949 53 T CB 0.371 69.528 68.868 0.482 0.000 0.941 53 T HN 0.630 nan 8.240 nan 0.000 0.457 54 F N -0.212 119.837 119.950 0.165 0.000 2.807 54 F HA 0.636 5.163 4.527 -0.000 0.000 0.316 54 F C -1.330 174.505 175.800 0.059 0.000 1.162 54 F CA -1.618 56.441 58.000 0.099 0.000 0.910 54 F CB 0.734 39.784 39.000 0.083 0.000 1.314 54 F HN 0.196 nan 8.300 nan 0.000 0.454 55 D N 0.919 121.476 120.400 0.262 0.000 2.264 55 D HA 0.432 5.072 4.640 -0.000 0.000 0.250 55 D C -0.852 175.567 176.300 0.199 0.000 1.113 55 D CA -0.159 53.923 54.000 0.136 0.000 0.871 55 D CB 0.960 41.818 40.800 0.096 0.000 1.167 55 D HN 0.540 nan 8.370 nan 0.000 0.447 56 R N 2.831 123.390 120.500 0.098 0.000 2.294 56 R HA 0.481 4.821 4.340 -0.000 0.000 0.319 56 R C -0.526 175.803 176.300 0.048 0.000 0.984 56 R CA -0.322 55.840 56.100 0.104 0.000 0.861 56 R CB 0.981 31.308 30.300 0.046 0.000 1.104 56 R HN 0.408 nan 8.270 nan 0.000 0.451 57 L N 3.154 124.405 121.223 0.046 0.000 2.581 57 L HA 0.337 4.677 4.340 -0.000 0.000 0.241 57 L C -0.125 176.747 176.870 0.004 0.000 1.265 57 L CA -0.418 54.432 54.840 0.017 0.000 0.954 57 L CB 0.958 43.028 42.059 0.018 0.000 1.269 57 L HN 0.531 nan 8.230 nan 0.000 0.475 58 Q N 1.551 121.347 119.800 -0.006 0.000 2.313 58 Q HA 0.355 4.694 4.340 -0.000 0.000 0.266 58 Q C -1.099 174.879 176.000 -0.036 0.000 0.989 58 Q CA -0.016 55.775 55.803 -0.020 0.000 0.890 58 Q CB 1.329 30.042 28.738 -0.043 0.000 1.200 58 Q HN 0.296 nan 8.270 nan 0.000 0.396 59 V N 6.249 126.150 119.914 -0.023 0.000 2.525 59 V HA 0.386 4.506 4.120 -0.000 0.000 0.299 59 V C -0.436 175.654 176.094 -0.006 0.000 1.034 59 V CA -0.700 61.585 62.300 -0.026 0.000 0.863 59 V CB 1.529 33.344 31.823 -0.014 0.000 0.999 59 V HN 0.729 nan 8.190 nan 0.000 0.423 60 L N 4.702 125.869 121.223 -0.093 0.000 2.334 60 L HA 0.756 5.096 4.340 -0.000 0.000 0.275 60 L C -0.270 176.594 176.870 -0.010 0.000 1.036 60 L CA -0.548 54.187 54.840 -0.175 0.000 0.807 60 L CB 1.777 43.565 42.059 -0.453 0.000 1.231 60 L HN 0.776 nan 8.230 nan 0.000 0.438 61 D N -1.215 119.240 120.400 0.091 0.000 2.758 61 D HA 0.206 4.846 4.640 -0.000 0.000 0.262 61 D C 0.094 176.443 176.300 0.083 0.000 1.113 61 D CA -0.577 53.479 54.000 0.094 0.000 1.114 61 D CB 0.525 41.404 40.800 0.131 0.000 1.363 61 D HN 0.274 nan 8.370 nan 0.000 0.617 62 D N -1.316 119.081 120.400 -0.006 0.000 2.144 62 D HA -0.133 4.507 4.640 -0.000 0.000 0.200 62 D C 1.764 178.054 176.300 -0.016 0.000 0.978 62 D CA 1.179 55.149 54.000 -0.050 0.000 0.833 62 D CB -0.252 40.463 40.800 -0.142 0.000 0.961 62 D HN 0.391 nan 8.370 nan 0.000 0.470 63 H N -0.536 118.585 119.070 0.085 0.000 2.319 63 H HA -0.161 4.395 4.556 -0.000 0.000 0.299 63 H C 2.033 177.374 175.328 0.021 0.000 1.092 63 H CA 1.113 57.200 56.048 0.065 0.000 1.302 63 H CB -0.752 29.076 29.762 0.111 0.000 1.373 63 H HN 0.311 nan 8.280 nan 0.000 0.497 64 Y N 1.964 122.264 120.300 0.001 0.000 2.128 64 Y HA -0.233 4.317 4.550 -0.000 0.000 0.284 64 Y C 2.674 178.500 175.900 -0.123 0.000 1.154 64 Y CA 1.639 59.610 58.100 -0.216 0.000 1.149 64 Y CB -0.057 38.136 38.460 -0.445 0.000 0.976 64 Y HN -0.026 nan 8.280 nan 0.000 0.505 65 R N 0.060 120.621 120.500 0.101 0.000 2.096 65 R HA -0.152 4.188 4.340 -0.000 0.000 0.235 65 R C 1.774 178.044 176.300 -0.051 0.000 1.127 65 R CA 1.469 57.584 56.100 0.025 0.000 0.968 65 R CB -0.350 29.990 30.300 0.067 0.000 0.861 65 R HN 0.401 nan 8.270 nan 0.000 0.440 66 D N 0.201 120.587 120.400 -0.022 0.000 2.097 66 D HA -0.123 4.517 4.640 -0.000 0.000 0.195 66 D C 2.018 178.287 176.300 -0.052 0.000 0.989 66 D CA 1.122 55.112 54.000 -0.016 0.000 0.827 66 D CB -0.284 40.535 40.800 0.031 0.000 0.966 66 D HN -0.017 nan 8.370 nan 0.000 0.456 67 V N 1.205 121.062 119.914 -0.094 0.000 2.287 67 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 67 V C 2.499 178.501 176.094 -0.154 0.000 1.053 67 V CA 1.143 63.365 62.300 -0.130 0.000 1.027 67 V CB -0.529 31.172 31.823 -0.203 0.000 0.646 67 V HN 0.139 nan 8.190 nan 0.000 0.447 68 L N 0.540 121.604 121.223 -0.266 0.000 2.042 68 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 68 L C 2.425 179.224 176.870 -0.118 0.000 1.076 68 L CA 2.253 56.948 54.840 -0.241 0.000 0.749 68 L CB -0.906 40.954 42.059 -0.331 0.000 0.893 68 L HN 0.294 nan 8.230 nan 0.000 0.432 69 K N -0.501 119.847 120.400 -0.087 0.000 2.063 69 K HA -0.225 4.095 4.320 -0.000 0.000 0.208 69 K C 1.937 178.518 176.600 -0.033 0.000 1.048 69 K CA 1.967 58.226 56.287 -0.047 0.000 0.928 69 K CB -0.119 32.363 32.500 -0.031 0.000 0.713 69 K HN 0.526 nan 8.250 nan 0.000 0.442 70 E N 0.087 120.270 120.200 -0.028 0.000 2.106 70 E HA -0.168 4.182 4.350 -0.000 0.000 0.192 70 E C 2.081 178.681 176.600 0.000 0.000 0.984 70 E CA 1.387 57.784 56.400 -0.006 0.000 0.806 70 E CB -0.038 29.666 29.700 0.007 0.000 0.750 70 E HN 0.350 nan 8.360 nan 0.000 0.458 71 M N 0.547 120.144 119.600 -0.005 0.000 2.132 71 M HA -0.153 4.327 4.480 -0.000 0.000 0.263 71 M C 2.087 178.369 176.300 -0.030 0.000 1.065 71 M CA 1.445 56.743 55.300 -0.003 0.000 1.122 71 M CB -0.087 32.513 32.600 0.000 0.000 1.365 71 M HN -0.076 nan 8.290 nan 0.000 0.411 72 K N 0.321 120.698 120.400 -0.038 0.000 2.147 72 K HA -0.091 4.229 4.320 -0.000 0.000 0.205 72 K C 2.079 178.666 176.600 -0.022 0.000 1.049 72 K CA 1.362 57.629 56.287 -0.035 0.000 0.936 72 K CB -0.287 32.191 32.500 -0.036 0.000 0.722 72 K HN 0.303 nan 8.250 nan 0.000 0.446 73 A N 1.961 124.770 122.820 -0.017 0.000 1.902 73 A HA -0.197 4.123 4.320 -0.000 0.000 0.217 73 A C 1.872 179.449 177.584 -0.011 0.000 1.181 73 A CA 1.495 53.526 52.037 -0.011 0.000 0.623 73 A CB -0.235 18.761 19.000 -0.006 0.000 0.818 73 A HN 0.188 nan 8.150 nan 0.000 0.443 74 K N -0.439 119.952 120.400 -0.016 0.000 2.103 74 K HA 0.031 4.351 4.320 -0.000 0.000 0.204 74 K C 2.241 178.824 176.600 -0.028 0.000 1.052 74 K CA 0.935 57.208 56.287 -0.023 0.000 0.945 74 K CB -0.273 32.208 32.500 -0.031 0.000 0.722 74 K HN 0.426 nan 8.250 nan 0.000 0.443 75 A N 1.192 123.994 122.820 -0.029 0.000 2.019 75 A HA -0.116 4.203 4.320 -0.000 0.000 0.219 75 A C 2.086 179.666 177.584 -0.007 0.000 1.164 75 A CA 1.510 53.534 52.037 -0.021 0.000 0.644 75 A CB -0.387 18.602 19.000 -0.018 0.000 0.805 75 A HN 0.146 nan 8.150 nan 0.000 0.449 76 S N -0.219 115.477 115.700 -0.007 0.000 2.442 76 S HA -0.112 4.358 4.470 -0.000 0.000 0.236 76 S C 1.897 176.496 174.600 -0.001 0.000 1.007 76 S CA 1.644 59.844 58.200 -0.001 0.000 0.965 76 S CB -0.485 62.714 63.200 -0.001 0.000 0.773 76 S HN 0.900 nan 8.310 nan 0.000 0.504 77 T N -0.768 113.782 114.554 -0.006 0.000 3.129 77 T HA 0.248 4.598 4.350 -0.000 0.000 0.251 77 T C 0.342 175.038 174.700 -0.008 0.000 1.117 77 T CA -0.173 61.923 62.100 -0.006 0.000 1.034 77 T CB -0.232 68.630 68.868 -0.010 0.000 0.968 77 T HN 0.011 nan 8.240 nan 0.000 0.526 78 V N 1.533 121.443 119.914 -0.007 0.000 2.472 78 V HA 0.493 4.613 4.120 -0.000 0.000 0.290 78 V C -0.079 176.016 176.094 0.002 0.000 1.037 78 V CA -1.070 61.225 62.300 -0.008 0.000 0.908 78 V CB 1.679 33.492 31.823 -0.016 0.000 0.985 78 V HN 0.331 nan 8.190 nan 0.000 0.454 79 K N 3.119 123.520 120.400 0.002 0.000 2.358 79 K HA 0.788 5.108 4.320 -0.000 0.000 0.260 79 K C -0.790 175.815 176.600 0.009 0.000 0.956 79 K CA -0.378 55.914 56.287 0.009 0.000 0.834 79 K CB 1.629 34.135 32.500 0.009 0.000 1.102 79 K HN 0.869 nan 8.250 nan 0.000 0.431 80 A N 3.763 126.592 122.820 0.016 0.000 2.413 80 A HA 0.644 4.963 4.320 -0.000 0.000 0.307 80 A C -1.415 176.186 177.584 0.029 0.000 1.087 80 A CA -0.929 51.118 52.037 0.017 0.000 0.750 80 A CB 1.125 20.130 19.000 0.008 0.000 1.296 80 A HN 0.798 nan 8.150 nan 0.000 0.423 81 K N 1.019 121.439 120.400 0.034 0.000 2.340 81 K HA 0.806 5.126 4.320 -0.000 0.000 0.244 81 K C -1.103 175.524 176.600 0.045 0.000 0.973 81 K CA -0.681 55.629 56.287 0.037 0.000 0.828 81 K CB 1.351 33.867 32.500 0.026 0.000 1.226 81 K HN 0.456 nan 8.250 nan 0.000 0.437 82 L N 1.820 123.065 121.223 0.038 0.000 2.436 82 L HA 0.285 4.625 4.340 -0.000 0.000 0.265 82 L C -0.216 176.637 176.870 -0.028 0.000 1.168 82 L CA -0.774 54.078 54.840 0.020 0.000 0.815 82 L CB 0.422 42.487 42.059 0.009 0.000 1.109 82 L HN 0.422 nan 8.230 nan 0.000 0.462 83 L N 1.433 122.617 121.223 -0.064 0.000 2.343 83 L HA 0.341 4.681 4.340 -0.000 0.000 0.275 83 L C 0.504 177.266 176.870 -0.180 0.000 1.056 83 L CA -0.485 54.298 54.840 -0.096 0.000 0.804 83 L CB 1.786 43.792 42.059 -0.089 0.000 1.203 83 L HN 0.722 nan 8.230 nan 0.000 0.440 84 S N 0.963 116.570 115.700 -0.156 0.000 2.614 84 S HA 0.156 4.626 4.470 -0.000 0.000 0.265 84 S C 1.107 175.579 174.600 -0.213 0.000 1.303 84 S CA -0.921 57.171 58.200 -0.180 0.000 1.000 84 S CB 1.516 64.645 63.200 -0.119 0.000 0.935 84 S HN 0.341 nan 8.310 nan 0.000 0.551 85 V N 1.872 121.639 119.914 -0.244 0.000 2.392 85 V HA -0.178 3.942 4.120 -0.000 0.000 0.249 85 V C 2.479 178.476 176.094 -0.161 0.000 1.059 85 V CA 2.348 64.499 62.300 -0.248 0.000 1.051 85 V CB -1.400 30.256 31.823 -0.279 0.000 0.658 85 V HN 0.873 nan 8.190 nan 0.000 0.455 86 E N 0.255 120.380 120.200 -0.125 0.000 2.051 86 E HA -0.202 4.148 4.350 -0.000 0.000 0.192 86 E C 2.170 178.705 176.600 -0.108 0.000 0.991 86 E CA 1.392 57.734 56.400 -0.097 0.000 0.799 86 E CB -0.310 29.345 29.700 -0.075 0.000 0.748 86 E HN 0.661 nan 8.360 nan 0.000 0.449 87 E N 0.371 120.498 120.200 -0.122 0.000 2.110 87 E HA -0.152 4.198 4.350 -0.000 0.000 0.193 87 E C 2.048 178.541 176.600 -0.177 0.000 0.988 87 E CA 0.978 57.294 56.400 -0.140 0.000 0.804 87 E CB -0.157 29.462 29.700 -0.135 0.000 0.745 87 E HN 0.294 nan 8.360 nan 0.000 0.458 88 A N 0.612 123.328 122.820 -0.173 0.000 1.898 88 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 88 A C 2.392 179.895 177.584 -0.134 0.000 1.181 88 A CA 0.971 52.906 52.037 -0.170 0.000 0.620 88 A CB -0.717 18.194 19.000 -0.148 0.000 0.819 88 A HN 0.349 nan 8.150 nan 0.000 0.442 89 C N -0.325 118.906 119.300 -0.116 0.000 2.425 89 C HA -0.077 4.383 4.460 -0.000 0.000 0.277 89 C C 2.587 177.523 174.990 -0.090 0.000 1.280 89 C CA 1.316 60.280 59.018 -0.089 0.000 1.744 89 C CB -1.062 26.628 27.740 -0.082 0.000 1.989 89 C HN 0.599 nan 8.230 nan 0.000 0.491 90 K N 0.556 120.900 120.400 -0.093 0.000 2.362 90 K HA 0.020 4.340 4.320 -0.000 0.000 0.200 90 K C 1.417 177.989 176.600 -0.046 0.000 1.046 90 K CA 0.835 57.081 56.287 -0.068 0.000 0.952 90 K CB -0.134 32.325 32.500 -0.067 0.000 0.753 90 K HN 0.525 nan 8.250 nan 0.000 0.466 91 L N 0.781 121.941 121.223 -0.105 0.000 2.591 91 L HA 0.022 4.362 4.340 -0.000 0.000 0.228 91 L C 0.282 177.114 176.870 -0.063 0.000 1.133 91 L CA 0.160 54.933 54.840 -0.112 0.000 0.880 91 L CB 0.031 41.916 42.059 -0.290 0.000 1.033 91 L HN -0.017 nan 8.230 nan 0.000 0.450 92 T N 1.733 116.241 114.554 -0.077 0.000 2.794 92 T HA 0.213 4.563 4.350 -0.000 0.000 0.296 92 T C -2.314 172.274 174.700 -0.187 0.000 0.949 92 T CA -1.133 60.910 62.100 -0.095 0.000 1.101 92 T CB 1.041 69.860 68.868 -0.081 0.000 0.905 92 T HN -0.151 nan 8.240 nan 0.000 0.516 93 P HA 0.114 nan 4.420 nan 0.000 0.265 93 P C -1.835 175.212 177.300 -0.422 0.000 1.193 93 P CA -1.235 61.654 63.100 -0.352 0.000 0.765 93 P CB 0.262 31.884 31.700 -0.131 0.000 0.823 94 P HA -0.181 nan 4.420 nan 0.000 0.217 94 P C 0.220 177.157 177.300 -0.606 0.000 1.151 94 P CA 1.742 64.476 63.100 -0.610 0.000 0.849 94 P CB -0.171 31.107 31.700 -0.702 0.000 0.787 95 H N -2.440 116.530 119.070 -0.167 0.000 2.472 95 H HA 0.303 4.859 4.556 -0.000 0.000 0.287 95 H C 0.435 175.703 175.328 -0.100 0.000 1.112 95 H CA -0.358 55.627 56.048 -0.105 0.000 1.021 95 H CB -0.143 29.573 29.762 -0.076 0.000 1.635 95 H HN -0.025 nan 8.280 nan 0.000 0.559 96 S N 1.160 116.819 115.700 -0.068 0.000 2.579 96 S HA 0.379 4.849 4.470 -0.000 0.000 0.275 96 S C 0.772 175.340 174.600 -0.054 0.000 1.345 96 S CA -0.557 57.600 58.200 -0.071 0.000 1.031 96 S CB 0.272 63.422 63.200 -0.082 0.000 0.892 96 S HN 0.544 nan 8.310 nan 0.000 0.529 97 A N 4.385 127.161 122.820 -0.074 0.000 2.566 97 A HA 0.207 4.527 4.320 -0.000 0.000 0.245 97 A C 0.582 178.153 177.584 -0.022 0.000 1.056 97 A CA -0.002 52.013 52.037 -0.037 0.000 0.757 97 A CB -0.376 18.604 19.000 -0.033 0.000 0.979 97 A HN 0.860 nan 8.150 nan 0.000 0.508 98 K N 2.554 122.932 120.400 -0.037 0.000 2.319 98 K HA 0.320 4.640 4.320 -0.000 0.000 0.265 98 K C 0.407 176.915 176.600 -0.153 0.000 1.000 98 K CA 0.097 56.327 56.287 -0.095 0.000 0.943 98 K CB 0.471 32.919 32.500 -0.087 0.000 0.950 98 K HN 0.461 nan 8.250 nan 0.000 0.485 99 S N 0.492 115.982 115.700 -0.351 0.000 2.593 99 S HA 0.055 4.524 4.470 -0.000 0.000 0.269 99 S C 0.485 174.880 174.600 -0.343 0.000 1.334 99 S CA -0.509 57.438 58.200 -0.423 0.000 1.015 99 S CB 0.556 63.105 63.200 -1.086 0.000 0.912 99 S HN 0.696 nan 8.310 nan 0.000 0.541 100 K N 1.580 121.772 120.400 -0.347 0.000 2.444 100 K HA 0.105 4.425 4.320 -0.000 0.000 0.193 100 K C -0.350 175.856 176.600 -0.657 0.000 1.024 100 K CA 0.539 56.521 56.287 -0.507 0.000 1.077 100 K CB 0.014 32.130 32.500 -0.641 0.000 0.833 100 K HN 0.578 nan 8.250 nan 0.000 0.517 101 F N 0.656 120.517 119.950 -0.149 0.000 2.923 101 F HA 0.276 4.802 4.527 -0.000 0.000 0.314 101 F C 0.888 176.637 175.800 -0.086 0.000 1.196 101 F CA -0.593 57.384 58.000 -0.039 0.000 1.320 101 F CB 0.913 39.997 39.000 0.140 0.000 0.953 101 F HN 0.057 nan 8.300 nan 0.000 0.505 102 G N 0.979 109.765 108.800 -0.024 0.000 2.171 102 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.238 102 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.238 102 G C -0.543 174.424 174.900 0.110 0.000 1.039 102 G CA 0.077 45.198 45.100 0.035 0.000 0.759 102 G HN 0.673 nan 8.290 nan 0.000 0.501 103 Y N -3.033 117.229 120.300 -0.063 0.000 2.620 103 Y HA 0.679 5.229 4.550 -0.000 0.000 0.331 103 Y C 0.202 176.084 175.900 -0.031 0.000 1.173 103 Y CA -0.888 57.178 58.100 -0.057 0.000 1.076 103 Y CB 0.413 38.818 38.460 -0.093 0.000 1.336 103 Y HN 0.833 nan 8.280 nan 0.000 0.459 104 G N 0.227 109.087 108.800 0.100 0.000 3.140 104 G HA2 0.575 4.534 3.960 -0.000 0.000 0.271 104 G HA3 0.575 4.534 3.960 -0.000 0.000 0.271 104 G C 0.282 175.220 174.900 0.064 0.000 1.370 104 G CA -0.759 44.344 45.100 0.005 0.000 1.014 104 G HN 1.282 nan 8.290 nan 0.000 0.541 105 A N -0.308 122.506 122.820 -0.010 0.000 1.908 105 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 105 A C 2.191 179.737 177.584 -0.065 0.000 1.181 105 A CA 2.112 54.122 52.037 -0.045 0.000 0.627 105 A CB -0.480 18.451 19.000 -0.114 0.000 0.818 105 A HN 0.601 nan 8.150 nan 0.000 0.445 106 K N -0.340 120.016 120.400 -0.074 0.000 2.057 106 K HA -0.150 4.170 4.320 -0.000 0.000 0.207 106 K C 1.503 178.082 176.600 -0.036 0.000 1.049 106 K CA 1.444 57.683 56.287 -0.080 0.000 0.931 106 K CB -0.300 32.158 32.500 -0.071 0.000 0.714 106 K HN 0.450 nan 8.250 nan 0.000 0.440 107 D N 0.649 121.056 120.400 0.012 0.000 2.144 107 D HA -0.125 4.515 4.640 -0.000 0.000 0.199 107 D C 2.049 178.350 176.300 0.001 0.000 0.984 107 D CA 0.950 54.964 54.000 0.023 0.000 0.834 107 D CB -0.280 40.572 40.800 0.086 0.000 0.955 107 D HN -0.041 nan 8.370 nan 0.000 0.465 108 V N 1.284 121.218 119.914 0.033 0.000 2.261 108 V HA -0.221 3.899 4.120 -0.000 0.000 0.246 108 V C 2.518 178.586 176.094 -0.042 0.000 1.047 108 V CA 1.560 63.862 62.300 0.004 0.000 1.015 108 V CB -0.388 31.467 31.823 0.053 0.000 0.642 108 V HN 0.119 nan 8.190 nan 0.000 0.446 109 R N 0.384 120.847 120.500 -0.062 0.000 2.096 109 R HA -0.113 4.227 4.340 -0.000 0.000 0.235 109 R C 1.945 178.206 176.300 -0.065 0.000 1.127 109 R CA 1.457 57.507 56.100 -0.083 0.000 0.968 109 R CB -0.396 29.830 30.300 -0.124 0.000 0.861 109 R HN 0.511 nan 8.270 nan 0.000 0.440 110 N N 0.764 119.430 118.700 -0.056 0.000 2.515 110 N HA 0.020 4.760 4.740 -0.000 0.000 0.185 110 N C 0.309 175.794 175.510 -0.042 0.000 1.109 110 N CA 0.430 53.453 53.050 -0.045 0.000 0.903 110 N CB 0.178 38.643 38.487 -0.038 0.000 0.969 110 N HN 0.153 nan 8.380 nan 0.000 0.450 111 L N 0.781 121.975 121.223 -0.048 0.000 3.608 111 L HA -0.210 4.130 4.340 -0.000 0.000 0.422 111 L C 0.071 176.913 176.870 -0.047 0.000 1.260 111 L CA -0.105 54.705 54.840 -0.050 0.000 0.889 111 L CB -2.508 39.525 42.059 -0.043 0.000 1.821 111 L HN 0.144 nan 8.230 nan 0.000 0.884 112 S N -1.047 114.622 115.700 -0.051 0.000 2.560 112 S HA 0.230 4.699 4.470 -0.000 0.000 0.284 112 S C 1.540 176.106 174.600 -0.055 0.000 1.327 112 S CA -0.035 58.138 58.200 -0.045 0.000 1.055 112 S CB 1.708 64.885 63.200 -0.039 0.000 0.868 112 S HN 0.531 nan 8.310 nan 0.000 0.506 113 S N 3.217 118.897 115.700 -0.034 0.000 2.372 113 S HA -0.299 4.171 4.470 -0.000 0.000 0.227 113 S C 1.725 176.311 174.600 -0.024 0.000 1.044 113 S CA 1.465 59.650 58.200 -0.025 0.000 1.050 113 S CB -0.759 62.432 63.200 -0.015 0.000 0.901 113 S HN 0.878 nan 8.310 nan 0.000 0.447 114 K N 1.730 122.116 120.400 -0.024 0.000 2.032 114 K HA -0.067 4.253 4.320 -0.000 0.000 0.209 114 K C 2.380 178.893 176.600 -0.146 0.000 1.048 114 K CA 1.303 57.591 56.287 0.002 0.000 0.927 114 K CB -0.690 31.810 32.500 -0.000 0.000 0.712 114 K HN 0.468 nan 8.250 nan 0.000 0.441 115 A N 0.537 123.138 122.820 -0.365 0.000 1.873 115 A HA -0.097 4.223 4.320 -0.000 0.000 0.215 115 A C 2.234 179.590 177.584 -0.379 0.000 1.186 115 A CA 1.626 53.196 52.037 -0.778 0.000 0.616 115 A CB -0.621 18.069 19.000 -0.517 0.000 0.823 115 A HN 0.181 nan 8.150 nan 0.000 0.442 116 V N 1.160 120.981 119.914 -0.154 0.000 2.407 116 V HA -0.265 3.854 4.120 -0.000 0.000 0.248 116 V C 2.275 178.434 176.094 0.107 0.000 1.055 116 V CA 2.076 64.366 62.300 -0.017 0.000 1.049 116 V CB -1.000 30.839 31.823 0.027 0.000 0.662 116 V HN 0.547 nan 8.190 nan 0.000 0.455 117 N N -0.162 118.571 118.700 0.056 0.000 2.106 117 N HA -0.158 4.582 4.740 -0.000 0.000 0.188 117 N C 1.810 177.335 175.510 0.026 0.000 1.029 117 N CA 1.661 54.740 53.050 0.048 0.000 0.848 117 N CB -0.438 38.048 38.487 -0.002 0.000 1.007 117 N HN 0.585 nan 8.380 nan 0.000 0.423 118 H N 0.822 119.834 119.070 -0.095 0.000 2.387 118 H HA 0.112 4.668 4.556 -0.000 0.000 0.299 118 H C 2.143 177.458 175.328 -0.021 0.000 1.090 118 H CA 0.823 56.831 56.048 -0.068 0.000 1.332 118 H CB -0.203 29.529 29.762 -0.050 0.000 1.386 118 H HN 0.171 nan 8.280 nan 0.000 0.516 119 I N -0.310 120.301 120.570 0.069 0.000 2.163 119 I HA -0.321 3.849 4.170 -0.000 0.000 0.243 119 I C 2.007 178.145 176.117 0.034 0.000 1.085 119 I CA 1.599 62.919 61.300 0.034 0.000 1.347 119 I CB -0.295 37.659 38.000 -0.077 0.000 1.044 119 I HN 0.343 nan 8.210 nan 0.000 0.408 120 H N -0.596 118.489 119.070 0.025 0.000 2.353 120 H HA -0.172 4.384 4.556 -0.000 0.000 0.300 120 H C 2.557 177.937 175.328 0.087 0.000 1.090 120 H CA 1.924 58.004 56.048 0.054 0.000 1.327 120 H CB -0.057 29.704 29.762 -0.003 0.000 1.383 120 H HN 0.186 nan 8.280 nan 0.000 0.508 121 S N -0.407 115.373 115.700 0.132 0.000 2.368 121 S HA -0.141 4.329 4.470 -0.000 0.000 0.225 121 S C 2.271 176.892 174.600 0.035 0.000 1.030 121 S CA 1.234 59.453 58.200 0.032 0.000 0.999 121 S CB -0.439 62.705 63.200 -0.093 0.000 0.844 121 S HN 0.205 nan 8.310 nan 0.000 0.459 122 V N 1.251 121.198 119.914 0.055 0.000 2.358 122 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 122 V C 2.041 178.194 176.094 0.098 0.000 1.047 122 V CA 1.749 64.080 62.300 0.052 0.000 1.035 122 V CB -0.847 31.024 31.823 0.080 0.000 0.658 122 V HN 0.719 nan 8.190 nan 0.000 0.452 123 W N 1.454 122.735 121.300 -0.030 0.000 2.355 123 W HA -0.188 4.472 4.660 -0.000 0.000 0.309 123 W C 2.357 178.867 176.519 -0.015 0.000 1.206 123 W CA 1.925 59.252 57.345 -0.029 0.000 1.284 123 W CB -0.161 29.267 29.460 -0.053 0.000 1.145 123 W HN 0.233 nan 8.180 nan 0.000 0.502 124 K N 0.010 120.494 120.400 0.141 0.000 2.097 124 K HA -0.246 4.074 4.320 -0.000 0.000 0.206 124 K C 1.597 178.154 176.600 -0.071 0.000 1.049 124 K CA 2.080 58.385 56.287 0.031 0.000 0.933 124 K CB -0.587 31.966 32.500 0.088 0.000 0.717 124 K HN 0.073 nan 8.250 nan 0.000 0.442 125 D N 0.878 121.244 120.400 -0.057 0.000 2.178 125 D HA -0.115 4.525 4.640 -0.000 0.000 0.202 125 D C 1.750 177.974 176.300 -0.127 0.000 0.974 125 D CA 0.743 54.697 54.000 -0.076 0.000 0.841 125 D CB 0.092 40.857 40.800 -0.058 0.000 0.953 125 D HN 0.069 nan 8.370 nan 0.000 0.478 126 L N -0.146 120.961 121.223 -0.195 0.000 2.093 126 L HA -0.113 4.227 4.340 -0.000 0.000 0.208 126 L C 2.374 179.069 176.870 -0.292 0.000 1.085 126 L CA 0.622 55.302 54.840 -0.266 0.000 0.755 126 L CB -0.298 41.525 42.059 -0.394 0.000 0.904 126 L HN 0.217 nan 8.230 nan 0.000 0.435 127 L N -1.002 120.019 121.223 -0.336 0.000 2.109 127 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 127 L C 2.530 179.313 176.870 -0.146 0.000 1.086 127 L CA 0.787 55.471 54.840 -0.260 0.000 0.760 127 L CB -0.411 41.500 42.059 -0.246 0.000 0.910 127 L HN 0.219 nan 8.230 nan 0.000 0.437 128 E N -0.607 119.522 120.200 -0.117 0.000 2.230 128 E HA -0.036 4.314 4.350 -0.000 0.000 0.192 128 E C 0.147 176.705 176.600 -0.069 0.000 0.987 128 E CA 0.570 56.924 56.400 -0.076 0.000 0.841 128 E CB 0.059 29.725 29.700 -0.056 0.000 0.783 128 E HN 0.237 nan 8.360 nan 0.000 0.481 129 D N -0.074 120.278 120.400 -0.081 0.000 2.593 129 D HA 0.102 4.742 4.640 -0.000 0.000 0.251 129 D C -0.258 175.994 176.300 -0.080 0.000 1.140 129 D CA -0.300 53.660 54.000 -0.067 0.000 0.855 129 D CB 1.244 42.011 40.800 -0.055 0.000 1.267 129 D HN -0.096 nan 8.370 nan 0.000 0.532 130 T N 0.508 115.022 114.554 -0.067 0.000 3.266 130 T HA 0.304 4.654 4.350 -0.000 0.000 0.278 130 T C 0.740 175.410 174.700 -0.050 0.000 1.010 130 T CA -0.191 61.867 62.100 -0.069 0.000 0.909 130 T CB 0.048 68.877 68.868 -0.065 0.000 1.122 130 T HN 0.128 nan 8.240 nan 0.000 0.536 131 V N -0.265 119.624 119.914 -0.041 0.000 3.141 131 V HA 0.201 4.320 4.120 -0.000 0.000 0.225 131 V C 0.953 177.038 176.094 -0.016 0.000 1.352 131 V CA 0.149 62.433 62.300 -0.026 0.000 1.316 131 V CB -0.043 31.768 31.823 -0.021 0.000 1.126 131 V HN 0.470 nan 8.190 nan 0.000 0.493 132 T N 4.347 118.891 114.554 -0.017 0.000 2.758 132 T HA 0.137 4.487 4.350 -0.000 0.000 0.281 132 T C -2.406 172.293 174.700 -0.001 0.000 0.963 132 T CA -0.278 61.820 62.100 -0.004 0.000 1.201 132 T CB 0.343 69.208 68.868 -0.006 0.000 0.906 132 T HN 0.179 nan 8.240 nan 0.000 0.528 133 P HA 0.097 nan 4.420 nan 0.000 0.264 133 P C -0.084 177.218 177.300 0.002 0.000 1.183 133 P CA 0.060 63.174 63.100 0.023 0.000 0.763 133 P CB 0.323 32.083 31.700 0.099 0.000 0.807 134 I N 2.554 123.108 120.570 -0.028 0.000 2.396 134 I HA 0.151 4.321 4.170 -0.000 0.000 0.292 134 I C 0.990 177.091 176.117 -0.026 0.000 0.999 134 I CA -0.490 60.798 61.300 -0.019 0.000 1.310 134 I CB 0.757 38.737 38.000 -0.033 0.000 1.404 134 I HN 0.296 nan 8.210 nan 0.000 0.496 135 D N 4.153 124.552 120.400 -0.002 0.000 2.382 135 D HA 0.243 4.883 4.640 -0.000 0.000 0.240 135 D C -0.342 175.925 176.300 -0.055 0.000 1.146 135 D CA 0.310 54.296 54.000 -0.023 0.000 0.897 135 D CB 0.916 41.718 40.800 0.003 0.000 1.197 135 D HN 0.659 nan 8.370 nan 0.000 0.432 136 T N -1.522 112.970 114.554 -0.102 0.000 2.883 136 T HA 0.575 4.925 4.350 -0.000 0.000 0.301 136 T C -0.584 173.965 174.700 -0.250 0.000 1.158 136 T CA -0.939 61.057 62.100 -0.174 0.000 1.007 136 T CB 1.423 70.211 68.868 -0.133 0.000 1.186 136 T HN 0.176 nan 8.240 nan 0.000 0.499 137 T N 2.222 116.471 114.554 -0.508 0.000 2.794 137 T HA 0.601 4.951 4.350 -0.000 0.000 0.280 137 T C -0.442 173.994 174.700 -0.439 0.000 0.987 137 T CA -0.597 61.191 62.100 -0.518 0.000 0.993 137 T CB 0.739 69.152 68.868 -0.758 0.000 0.939 137 T HN 0.731 nan 8.240 nan 0.000 0.449 138 I N 4.479 124.968 120.570 -0.135 0.000 2.377 138 I HA 0.559 4.728 4.170 -0.000 0.000 0.293 138 I C -0.967 175.195 176.117 0.076 0.000 0.987 138 I CA -0.754 60.558 61.300 0.019 0.000 1.185 138 I CB 0.649 38.709 38.000 0.100 0.000 1.341 138 I HN 0.426 nan 8.210 nan 0.000 0.455 139 M N 6.208 125.900 119.600 0.153 0.000 2.593 139 M HA 0.511 4.991 4.480 -0.000 0.000 0.290 139 M C -0.751 175.623 176.300 0.122 0.000 1.244 139 M CA -0.622 54.769 55.300 0.151 0.000 0.857 139 M CB 1.818 34.560 32.600 0.236 0.000 1.738 139 M HN 0.583 nan 8.290 nan 0.000 0.461 140 A N 1.773 124.645 122.820 0.086 0.000 2.274 140 A HA 0.560 4.879 4.320 -0.000 0.000 0.309 140 A C -0.168 177.461 177.584 0.076 0.000 1.226 140 A CA -0.533 51.545 52.037 0.068 0.000 0.853 140 A CB 0.391 19.416 19.000 0.042 0.000 1.146 140 A HN 0.758 nan 8.150 nan 0.000 0.518 141 K N 1.644 122.091 120.400 0.078 0.000 2.237 141 K HA 0.141 4.461 4.320 -0.000 0.000 0.270 141 K C -0.607 176.020 176.600 0.045 0.000 1.015 141 K CA 0.103 56.427 56.287 0.062 0.000 0.949 141 K CB 0.556 33.096 32.500 0.067 0.000 0.976 141 K HN 0.777 nan 8.250 nan 0.000 0.472 142 N N 2.331 121.038 118.700 0.011 0.000 2.546 142 N HA 0.124 4.864 4.740 -0.000 0.000 0.238 142 N C -1.323 174.115 175.510 -0.120 0.000 0.984 142 N CA -0.347 52.686 53.050 -0.028 0.000 0.935 142 N CB 1.117 39.598 38.487 -0.010 0.000 1.122 142 N HN 0.389 nan 8.380 nan 0.000 0.510 143 E N 0.824 120.928 120.200 -0.160 0.000 2.312 143 E HA 0.472 4.822 4.350 -0.000 0.000 0.267 143 E C -0.929 175.302 176.600 -0.615 0.000 0.894 143 E CA -0.992 55.194 56.400 -0.356 0.000 0.773 143 E CB 2.565 32.107 29.700 -0.264 0.000 1.241 143 E HN 0.078 nan 8.360 nan 0.000 0.432 144 V N 2.796 122.171 119.914 -0.898 0.000 2.472 144 V HA 0.506 4.626 4.120 -0.000 0.000 0.290 144 V C -0.765 174.639 176.094 -1.150 0.000 1.037 144 V CA -0.234 61.482 62.300 -0.973 0.000 0.908 144 V CB 0.299 31.572 31.823 -0.917 0.000 0.985 144 V HN 0.528 nan 8.190 nan 0.000 0.454 145 F N 2.030 121.562 119.950 -0.696 0.000 2.726 145 F HA 0.633 5.160 4.527 -0.000 0.000 0.324 145 F C -0.057 175.474 175.800 -0.449 0.000 1.140 145 F CA -0.698 56.981 58.000 -0.535 0.000 0.964 145 F CB 1.472 40.168 39.000 -0.507 0.000 1.399 145 F HN 0.540 nan 8.300 nan 0.000 0.491 146 C N 2.547 121.905 119.300 0.095 0.000 2.382 146 C HA 0.797 5.257 4.460 -0.000 0.000 0.327 146 C C -0.134 175.040 174.990 0.308 0.000 1.250 146 C CA -0.749 58.369 59.018 0.166 0.000 1.707 146 C CB 0.152 27.955 27.740 0.105 0.000 2.272 146 C HN 0.730 nan 8.230 nan 0.000 0.506 147 V N 5.167 125.293 119.914 0.354 0.000 2.788 147 V HA 0.268 4.388 4.120 -0.000 0.000 0.307 147 V C -0.158 176.012 176.094 0.126 0.000 1.069 147 V CA 0.493 62.940 62.300 0.246 0.000 1.173 147 V CB 0.305 32.197 31.823 0.116 0.000 0.925 147 V HN 0.923 nan 8.190 nan 0.000 0.492 148 Q N 4.255 124.100 119.800 0.074 0.000 2.607 148 Q HA 0.322 4.662 4.340 -0.000 0.000 0.247 148 Q C -2.049 173.953 176.000 0.003 0.000 1.033 148 Q CA -1.704 54.117 55.803 0.031 0.000 0.769 148 Q CB 1.650 30.398 28.738 0.016 0.000 1.169 148 Q HN 0.614 nan 8.270 nan 0.000 0.508 149 P HA -0.304 nan 4.420 nan 0.000 0.217 149 P C 1.263 178.553 177.300 -0.016 0.000 1.151 149 P CA 1.445 64.537 63.100 -0.013 0.000 0.849 149 P CB 0.282 31.975 31.700 -0.011 0.000 0.787 150 E N 0.465 120.658 120.200 -0.013 0.000 2.204 150 E HA -0.214 4.136 4.350 -0.000 0.000 0.194 150 E C 1.834 178.422 176.600 -0.019 0.000 0.989 150 E CA 1.211 57.602 56.400 -0.015 0.000 0.824 150 E CB -0.763 28.929 29.700 -0.012 0.000 0.756 150 E HN 0.288 nan 8.360 nan 0.000 0.477 151 K N 0.714 121.100 120.400 -0.022 0.000 2.365 151 K HA -0.043 4.277 4.320 -0.000 0.000 0.199 151 K C 0.966 177.546 176.600 -0.033 0.000 1.045 151 K CA 0.927 57.197 56.287 -0.029 0.000 0.962 151 K CB -0.248 32.231 32.500 -0.035 0.000 0.759 151 K HN 0.302 nan 8.250 nan 0.000 0.469 152 G N -0.239 108.541 108.800 -0.033 0.000 2.143 152 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.248 152 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.248 152 G C 0.136 175.008 174.900 -0.046 0.000 0.991 152 G CA 0.207 45.286 45.100 -0.036 0.000 0.689 152 G HN 0.780 nan 8.290 nan 0.000 0.522 153 G N -1.743 107.023 108.800 -0.057 0.000 2.377 153 G HA2 0.617 4.577 3.960 -0.000 0.000 0.297 153 G HA3 0.617 4.577 3.960 -0.000 0.000 0.297 153 G C -0.749 174.091 174.900 -0.101 0.000 1.547 153 G CA -0.234 44.819 45.100 -0.078 0.000 0.833 153 G HN 0.524 nan 8.290 nan 0.000 0.583 154 R N 0.095 120.500 120.500 -0.158 0.000 2.615 154 R HA 0.501 4.841 4.340 -0.000 0.000 0.270 154 R C 0.510 176.738 176.300 -0.120 0.000 1.081 154 R CA -0.231 55.724 56.100 -0.242 0.000 1.154 154 R CB 0.546 30.567 30.300 -0.465 0.000 1.063 154 R HN 0.428 nan 8.270 nan 0.000 0.519 155 K N 3.085 123.467 120.400 -0.030 0.000 2.322 155 K HA 0.203 4.523 4.320 -0.000 0.000 0.283 155 K C -2.180 174.425 176.600 0.008 0.000 1.042 155 K CA -1.448 54.798 56.287 -0.068 0.000 0.958 155 K CB 0.884 33.208 32.500 -0.295 0.000 0.984 155 K HN 0.381 nan 8.250 nan 0.000 0.473 156 P HA 0.045 nan 4.420 nan 0.000 0.274 156 P C -1.056 176.274 177.300 0.050 0.000 1.231 156 P CA -0.369 62.738 63.100 0.013 0.000 0.790 156 P CB 0.868 32.562 31.700 -0.009 0.000 0.951 157 A N 3.178 126.037 122.820 0.064 0.000 2.498 157 A HA 0.123 4.443 4.320 -0.000 0.000 0.239 157 A C 0.431 178.059 177.584 0.074 0.000 1.068 157 A CA 0.064 52.153 52.037 0.087 0.000 0.766 157 A CB -0.188 18.854 19.000 0.070 0.000 1.003 157 A HN 0.467 nan 8.150 nan 0.000 0.497 158 R N 0.474 121.035 120.500 0.101 0.000 2.560 158 R HA 0.496 4.836 4.340 -0.000 0.000 0.270 158 R C -0.771 175.586 176.300 0.094 0.000 1.074 158 R CA -0.288 55.874 56.100 0.102 0.000 1.140 158 R CB 0.524 30.899 30.300 0.126 0.000 1.073 158 R HN 0.659 nan 8.270 nan 0.000 0.527 159 L N 2.669 123.953 121.223 0.102 0.000 2.317 159 L HA 0.501 4.841 4.340 -0.000 0.000 0.281 159 L C -0.510 176.453 176.870 0.155 0.000 1.024 159 L CA -0.919 53.986 54.840 0.109 0.000 0.810 159 L CB 1.513 43.621 42.059 0.081 0.000 1.240 159 L HN 0.453 nan 8.230 nan 0.000 0.427 160 I N 3.034 123.713 120.570 0.182 0.000 2.433 160 I HA 0.508 4.678 4.170 -0.000 0.000 0.292 160 I C -0.862 175.442 176.117 0.310 0.000 1.001 160 I CA -0.349 61.094 61.300 0.238 0.000 1.119 160 I CB 1.897 40.030 38.000 0.222 0.000 1.289 160 I HN 0.194 nan 8.210 nan 0.000 0.438 161 V N 8.758 128.852 119.914 0.301 0.000 2.487 161 V HA 0.622 4.742 4.120 -0.000 0.000 0.298 161 V C -0.709 175.565 176.094 0.299 0.000 1.028 161 V CA -0.484 61.946 62.300 0.216 0.000 0.860 161 V CB 1.163 33.083 31.823 0.162 0.000 0.991 161 V HN 0.621 nan 8.190 nan 0.000 0.427 162 F N 4.677 124.676 119.950 0.081 0.000 2.631 162 F HA 0.939 5.466 4.527 -0.000 0.000 0.308 162 F C -3.108 172.733 175.800 0.069 0.000 1.097 162 F CA -2.425 55.623 58.000 0.080 0.000 0.952 162 F CB 1.842 40.884 39.000 0.071 0.000 1.307 162 F HN 0.310 nan 8.300 nan 0.000 0.450 163 P HA 0.217 nan 4.420 nan 0.000 0.284 163 P C -1.157 176.255 177.300 0.186 0.000 1.287 163 P CA -0.180 62.975 63.100 0.092 0.000 0.824 163 P CB 1.496 33.264 31.700 0.113 0.000 1.180 164 D N -0.634 119.850 120.400 0.140 0.000 2.390 164 D HA -0.076 4.564 4.640 -0.000 0.000 0.236 164 D C 1.374 177.785 176.300 0.185 0.000 1.189 164 D CA -0.214 53.889 54.000 0.171 0.000 0.887 164 D CB 0.298 41.229 40.800 0.218 0.000 1.198 164 D HN 0.107 nan 8.370 nan 0.000 0.444 165 L N 3.209 124.517 121.223 0.140 0.000 2.043 165 L HA -0.023 4.317 4.340 -0.000 0.000 0.212 165 L C 2.055 179.037 176.870 0.186 0.000 1.075 165 L CA 2.582 57.496 54.840 0.122 0.000 0.752 165 L CB -1.120 40.955 42.059 0.026 0.000 0.891 165 L HN 0.659 nan 8.230 nan 0.000 0.432 166 G N -1.214 107.737 108.800 0.251 0.000 2.440 166 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 166 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 166 G C 1.515 176.533 174.900 0.195 0.000 1.154 166 G CA 1.142 46.415 45.100 0.289 0.000 0.767 166 G HN 0.369 nan 8.290 nan 0.000 0.552 167 V N 0.719 120.738 119.914 0.175 0.000 2.427 167 V HA -0.151 3.968 4.120 -0.000 0.000 0.248 167 V C 2.892 179.078 176.094 0.154 0.000 1.051 167 V CA 1.847 64.234 62.300 0.145 0.000 1.048 167 V CB -0.480 31.415 31.823 0.119 0.000 0.666 167 V HN 0.325 nan 8.190 nan 0.000 0.456 168 R N -0.204 120.391 120.500 0.158 0.000 2.096 168 R HA -0.111 4.228 4.340 -0.000 0.000 0.235 168 R C 2.258 178.633 176.300 0.124 0.000 1.127 168 R CA 1.397 57.586 56.100 0.148 0.000 0.968 168 R CB -0.609 29.772 30.300 0.134 0.000 0.861 168 R HN 0.422 nan 8.270 nan 0.000 0.440 169 V N 0.497 120.477 119.914 0.111 0.000 2.343 169 V HA -0.297 3.823 4.120 -0.000 0.000 0.247 169 V C 2.493 178.633 176.094 0.075 0.000 1.051 169 V CA 1.570 63.909 62.300 0.064 0.000 1.036 169 V CB -0.447 31.404 31.823 0.046 0.000 0.654 169 V HN 0.453 nan 8.190 nan 0.000 0.451 170 C N -0.259 119.132 119.300 0.152 0.000 2.429 170 C HA -0.136 4.323 4.460 -0.000 0.000 0.277 170 C C 2.661 177.836 174.990 0.308 0.000 1.262 170 C CA 0.808 60.001 59.018 0.291 0.000 1.733 170 C CB -0.975 27.000 27.740 0.392 0.000 2.010 170 C HN 0.615 nan 8.230 nan 0.000 0.483 171 E N 0.906 121.241 120.200 0.226 0.000 2.070 171 E HA -0.247 4.103 4.350 -0.000 0.000 0.197 171 E C 2.164 178.889 176.600 0.209 0.000 1.004 171 E CA 1.347 57.885 56.400 0.230 0.000 0.805 171 E CB -0.162 29.678 29.700 0.233 0.000 0.744 171 E HN 0.638 nan 8.360 nan 0.000 0.451 172 K N 0.294 120.790 120.400 0.159 0.000 2.009 172 K HA -0.154 4.165 4.320 -0.000 0.000 0.210 172 K C 2.238 178.903 176.600 0.109 0.000 1.049 172 K CA 1.663 58.030 56.287 0.134 0.000 0.929 172 K CB -0.182 32.330 32.500 0.020 0.000 0.714 172 K HN 0.136 nan 8.250 nan 0.000 0.440 173 M N 0.261 119.880 119.600 0.031 0.000 2.108 173 M HA -0.175 4.305 4.480 -0.000 0.000 0.261 173 M C 2.447 178.792 176.300 0.074 0.000 1.066 173 M CA 1.754 57.012 55.300 -0.071 0.000 1.107 173 M CB -0.382 31.985 32.600 -0.387 0.000 1.356 173 M HN 0.240 nan 8.290 nan 0.000 0.406 174 A N -0.381 122.601 122.820 0.270 0.000 1.930 174 A HA 0.059 4.379 4.320 -0.000 0.000 0.215 174 A C 1.842 179.525 177.584 0.165 0.000 1.176 174 A CA 1.120 53.354 52.037 0.329 0.000 0.632 174 A CB -0.179 19.057 19.000 0.394 0.000 0.819 174 A HN 0.498 nan 8.150 nan 0.000 0.445 175 L N -3.121 118.184 121.223 0.136 0.000 3.086 175 L HA 0.202 4.542 4.340 -0.000 0.000 0.274 175 L C 1.772 178.669 176.870 0.045 0.000 1.184 175 L CA -0.011 54.847 54.840 0.029 0.000 1.002 175 L CB 0.054 42.090 42.059 -0.039 0.000 1.383 175 L HN 0.443 nan 8.230 nan 0.000 0.582 176 Y N 1.555 121.869 120.300 0.024 0.000 2.128 176 Y HA -0.345 4.205 4.550 -0.000 0.000 0.284 176 Y C 2.223 178.153 175.900 0.050 0.000 1.154 176 Y CA 2.327 60.460 58.100 0.055 0.000 1.149 176 Y CB 0.135 38.623 38.460 0.046 0.000 0.976 176 Y HN 0.235 nan 8.280 nan 0.000 0.505 177 D N -0.805 119.669 120.400 0.124 0.000 2.178 177 D HA -0.153 4.487 4.640 -0.000 0.000 0.202 177 D C 2.114 178.371 176.300 -0.071 0.000 0.974 177 D CA 1.326 55.344 54.000 0.029 0.000 0.841 177 D CB -0.129 40.718 40.800 0.078 0.000 0.953 177 D HN 0.272 nan 8.370 nan 0.000 0.478 178 V N 0.446 120.307 119.914 -0.090 0.000 2.270 178 V HA -0.207 3.912 4.120 -0.000 0.000 0.245 178 V C 2.709 178.684 176.094 -0.198 0.000 1.043 178 V CA 1.740 63.953 62.300 -0.146 0.000 1.014 178 V CB -0.757 30.923 31.823 -0.237 0.000 0.645 178 V HN 0.320 nan 8.190 nan 0.000 0.447 179 V N -2.115 117.653 119.914 -0.244 0.000 2.913 179 V HA -0.104 4.016 4.120 -0.000 0.000 0.260 179 V C 1.984 177.907 176.094 -0.286 0.000 1.098 179 V CA 2.120 64.268 62.300 -0.252 0.000 1.121 179 V CB -0.510 31.177 31.823 -0.228 0.000 0.714 179 V HN 0.462 nan 8.190 nan 0.000 0.487 180 S N 0.772 116.306 115.700 -0.277 0.000 2.486 180 S HA -0.006 4.464 4.470 -0.000 0.000 0.220 180 S C 1.888 176.407 174.600 -0.135 0.000 1.011 180 S CA 1.246 59.311 58.200 -0.224 0.000 0.921 180 S CB 0.139 63.167 63.200 -0.287 0.000 0.785 180 S HN 0.944 nan 8.310 nan 0.000 0.517 181 T N -1.015 113.457 114.554 -0.137 0.000 2.987 181 T HA 0.237 4.587 4.350 -0.000 0.000 0.248 181 T C 1.602 176.218 174.700 -0.140 0.000 0.997 181 T CA -0.091 61.946 62.100 -0.104 0.000 1.013 181 T CB -0.473 68.358 68.868 -0.062 0.000 1.077 181 T HN 0.126 nan 8.240 nan 0.000 0.483 182 L N 2.825 123.960 121.223 -0.147 0.000 2.017 182 L HA 0.224 4.564 4.340 -0.000 0.000 0.208 182 L C -0.955 175.763 176.870 -0.253 0.000 1.073 182 L CA 1.833 56.587 54.840 -0.142 0.000 0.745 182 L CB -1.285 40.740 42.059 -0.056 0.000 0.894 182 L HN 0.105 nan 8.230 nan 0.000 0.432 183 P HA -0.244 nan 4.420 nan 0.000 0.215 183 P C 1.585 178.420 177.300 -0.774 0.000 1.163 183 P CA 1.526 64.185 63.100 -0.735 0.000 0.894 183 P CB -0.174 30.757 31.700 -1.282 0.000 0.791 184 Q N -0.240 119.149 119.800 -0.684 0.000 2.096 184 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 184 Q C 2.025 177.897 176.000 -0.214 0.000 0.982 184 Q CA 1.632 57.249 55.803 -0.311 0.000 0.850 184 Q CB -0.797 27.875 28.738 -0.111 0.000 0.901 184 Q HN 0.094 nan 8.270 nan 0.000 0.422 185 V N -0.152 119.644 119.914 -0.196 0.000 2.358 185 V HA -0.213 3.907 4.120 -0.000 0.000 0.246 185 V C 2.494 178.503 176.094 -0.141 0.000 1.047 185 V CA 1.454 63.675 62.300 -0.131 0.000 1.035 185 V CB -0.560 31.204 31.823 -0.099 0.000 0.658 185 V HN 0.121 nan 8.190 nan 0.000 0.452 186 V N -0.600 119.197 119.914 -0.195 0.000 2.379 186 V HA -0.179 3.940 4.120 -0.000 0.000 0.245 186 V C 2.046 177.975 176.094 -0.275 0.000 1.044 186 V CA 2.073 64.256 62.300 -0.195 0.000 1.036 186 V CB -0.467 31.232 31.823 -0.206 0.000 0.664 186 V HN 0.479 nan 8.190 nan 0.000 0.453 187 M N -0.957 118.399 119.600 -0.407 0.000 2.371 187 M HA 0.369 4.849 4.480 -0.000 0.000 0.246 187 M C 1.421 177.596 176.300 -0.208 0.000 1.103 187 M CA 0.684 55.656 55.300 -0.547 0.000 1.010 187 M CB 0.376 32.477 32.600 -0.832 0.000 1.457 187 M HN 0.449 nan 8.290 nan 0.000 0.486 188 G N 1.706 110.424 108.800 -0.136 0.000 2.596 188 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.295 188 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.295 188 G C 0.840 175.703 174.900 -0.063 0.000 1.240 188 G CA 0.830 45.893 45.100 -0.061 0.000 0.985 188 G HN 0.536 nan 8.290 nan 0.000 0.555 189 S N -0.716 114.964 115.700 -0.033 0.000 2.469 189 S HA 0.058 4.528 4.470 -0.000 0.000 0.238 189 S C 2.214 176.703 174.600 -0.185 0.000 0.998 189 S CA 1.960 60.088 58.200 -0.120 0.000 0.957 189 S CB -0.114 63.063 63.200 -0.038 0.000 0.764 189 S HN 1.010 nan 8.310 nan 0.000 0.514 190 S N 0.225 115.924 115.700 -0.003 0.000 2.481 190 S HA 0.107 4.577 4.470 -0.000 0.000 0.231 190 S C 0.260 174.878 174.600 0.029 0.000 0.996 190 S CA -0.043 58.209 58.200 0.087 0.000 0.942 190 S CB -0.426 62.929 63.200 0.258 0.000 0.768 190 S HN 0.698 nan 8.310 nan 0.000 0.520 191 Y N 3.055 123.233 120.300 -0.204 0.000 2.637 191 Y HA 0.424 4.974 4.550 -0.000 0.000 0.350 191 Y C 1.257 176.975 175.900 -0.302 0.000 1.069 191 Y CA -1.397 56.558 58.100 -0.242 0.000 1.397 191 Y CB -0.012 38.296 38.460 -0.252 0.000 1.163 191 Y HN 0.056 nan 8.280 nan 0.000 0.527 192 G N 4.571 112.972 108.800 -0.665 0.000 2.448 192 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 192 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 192 G C 1.148 175.559 174.900 -0.817 0.000 1.135 192 G CA 0.071 44.811 45.100 -0.601 0.000 0.784 192 G HN 0.700 nan 8.290 nan 0.000 0.543 193 F N 1.150 120.457 119.950 -1.072 0.000 2.771 193 F HA 0.027 4.554 4.527 -0.000 0.000 0.299 193 F C 2.801 178.429 175.800 -0.286 0.000 1.177 193 F CA 0.911 58.428 58.000 -0.805 0.000 1.450 193 F CB 0.219 38.710 39.000 -0.848 0.000 1.114 193 F HN 0.314 nan 8.300 nan 0.000 0.587 194 Q N -0.523 119.057 119.800 -0.366 0.000 2.403 194 Q HA 0.015 4.355 4.340 -0.000 0.000 0.203 194 Q C -0.583 175.299 176.000 -0.196 0.000 0.932 194 Q CA 0.336 56.009 55.803 -0.217 0.000 0.945 194 Q CB -0.196 28.308 28.738 -0.389 0.000 1.045 194 Q HN 0.404 nan 8.270 nan 0.000 0.511 195 Y N 1.625 121.966 120.300 0.068 0.000 2.360 195 Y HA 0.327 4.877 4.550 -0.000 0.000 0.337 195 Y C 0.659 176.459 175.900 -0.167 0.000 1.039 195 Y CA -1.106 56.975 58.100 -0.032 0.000 1.109 195 Y CB 1.562 39.954 38.460 -0.112 0.000 1.201 195 Y HN 0.085 nan 8.280 nan 0.000 0.458 196 S N 1.997 117.506 115.700 -0.318 0.000 2.655 196 S HA 0.258 4.728 4.470 -0.000 0.000 0.265 196 S C -2.095 172.122 174.600 -0.638 0.000 1.240 196 S CA -1.165 56.318 58.200 -1.195 0.000 0.986 196 S CB 1.315 63.993 63.200 -0.869 0.000 0.985 196 S HN 0.425 nan 8.310 nan 0.000 0.562 197 P HA 0.042 nan 4.420 nan 0.000 0.218 197 P C 1.585 178.740 177.300 -0.241 0.000 1.148 197 P CA 1.548 64.432 63.100 -0.361 0.000 0.822 197 P CB -0.445 31.026 31.700 -0.381 0.000 0.784 198 G N -0.423 108.196 108.800 -0.301 0.000 2.403 198 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 198 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 198 G C 1.481 176.311 174.900 -0.118 0.000 1.154 198 G CA 0.385 45.393 45.100 -0.154 0.000 0.784 198 G HN 0.296 nan 8.290 nan 0.000 0.538 199 Q N -0.451 119.266 119.800 -0.139 0.000 2.172 199 Q HA 0.048 4.388 4.340 -0.000 0.000 0.200 199 Q C 2.538 178.391 176.000 -0.245 0.000 0.964 199 Q CA 0.731 56.471 55.803 -0.104 0.000 0.855 199 Q CB -0.067 28.693 28.738 0.037 0.000 0.918 199 Q HN 0.441 nan 8.270 nan 0.000 0.444 200 R N 0.448 120.819 120.500 -0.215 0.000 2.062 200 R HA -0.112 4.227 4.340 -0.000 0.000 0.231 200 R C 2.238 178.443 176.300 -0.160 0.000 1.136 200 R CA 1.205 57.157 56.100 -0.248 0.000 0.948 200 R CB -0.428 29.813 30.300 -0.098 0.000 0.845 200 R HN 0.178 nan 8.270 nan 0.000 0.430 201 V N 1.537 121.389 119.914 -0.104 0.000 2.490 201 V HA -0.217 3.903 4.120 -0.000 0.000 0.250 201 V C 2.130 178.157 176.094 -0.111 0.000 1.061 201 V CA 2.398 64.648 62.300 -0.083 0.000 1.064 201 V CB -0.338 31.477 31.823 -0.013 0.000 0.670 201 V HN 0.532 nan 8.190 nan 0.000 0.461 202 E N -0.806 119.336 120.200 -0.096 0.000 2.072 202 E HA -0.266 4.083 4.350 -0.000 0.000 0.191 202 E C 2.113 178.649 176.600 -0.107 0.000 0.985 202 E CA 1.731 58.079 56.400 -0.086 0.000 0.801 202 E CB -0.411 29.260 29.700 -0.049 0.000 0.750 202 E HN 0.699 nan 8.360 nan 0.000 0.452 203 F N 1.108 120.879 119.950 -0.299 0.000 2.134 203 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 203 F C 1.960 177.634 175.800 -0.211 0.000 1.097 203 F CA 1.121 58.935 58.000 -0.310 0.000 1.264 203 F CB 0.035 38.678 39.000 -0.595 0.000 1.001 203 F HN 0.008 nan 8.300 nan 0.000 0.479 204 L N -0.643 120.417 121.223 -0.272 0.000 2.017 204 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 204 L C 2.342 179.044 176.870 -0.279 0.000 1.073 204 L CA 1.010 55.677 54.840 -0.290 0.000 0.745 204 L CB -0.786 41.160 42.059 -0.189 0.000 0.894 204 L HN 0.018 nan 8.230 nan 0.000 0.432 205 V N 0.105 119.842 119.914 -0.294 0.000 2.307 205 V HA -0.285 3.834 4.120 -0.000 0.000 0.245 205 V C 2.015 177.982 176.094 -0.212 0.000 1.045 205 V CA 2.206 64.304 62.300 -0.337 0.000 1.024 205 V CB -0.780 30.714 31.823 -0.549 0.000 0.651 205 V HN 0.504 nan 8.190 nan 0.000 0.449 206 N N -0.319 118.253 118.700 -0.215 0.000 2.120 206 N HA -0.172 4.568 4.740 -0.000 0.000 0.188 206 N C 1.820 177.213 175.510 -0.194 0.000 1.024 206 N CA 1.741 54.692 53.050 -0.165 0.000 0.852 206 N CB -0.236 38.171 38.487 -0.134 0.000 1.003 206 N HN 0.434 nan 8.380 nan 0.000 0.424 207 T N 0.388 114.739 114.554 -0.339 0.000 2.708 207 T HA -0.191 4.159 4.350 -0.000 0.000 0.266 207 T C 1.327 175.936 174.700 -0.153 0.000 1.037 207 T CA 0.823 62.715 62.100 -0.347 0.000 1.146 207 T CB -0.320 68.183 68.868 -0.608 0.000 0.865 207 T HN 0.446 nan 8.240 nan 0.000 0.435 208 W N 2.258 123.389 121.300 -0.281 0.000 2.358 208 W HA -0.088 4.572 4.660 -0.000 0.000 0.303 208 W C 1.757 178.184 176.519 -0.154 0.000 1.208 208 W CA 1.171 58.394 57.345 -0.202 0.000 1.274 208 W CB -0.177 29.157 29.460 -0.210 0.000 1.138 208 W HN 0.255 nan 8.180 nan 0.000 0.515 209 K N 0.300 120.716 120.400 0.026 0.000 2.362 209 K HA -0.115 4.205 4.320 -0.000 0.000 0.200 209 K C 2.069 178.611 176.600 -0.097 0.000 1.046 209 K CA 1.450 57.718 56.287 -0.033 0.000 0.952 209 K CB -0.232 32.264 32.500 -0.007 0.000 0.753 209 K HN 0.070 nan 8.250 nan 0.000 0.466 210 S N 0.437 116.065 115.700 -0.121 0.000 2.522 210 S HA 0.017 4.487 4.470 -0.000 0.000 0.227 210 S C 0.577 175.095 174.600 -0.137 0.000 0.986 210 S CA 0.153 58.286 58.200 -0.112 0.000 0.929 210 S CB 0.085 63.223 63.200 -0.104 0.000 0.769 210 S HN -0.030 nan 8.310 nan 0.000 0.529 211 K N 1.689 121.963 120.400 -0.210 0.000 2.098 211 K HA 0.324 4.644 4.320 -0.000 0.000 0.261 211 K C 0.749 177.227 176.600 -0.204 0.000 0.987 211 K CA -0.464 55.686 56.287 -0.227 0.000 0.916 211 K CB 1.373 33.668 32.500 -0.341 0.000 1.039 211 K HN 0.162 nan 8.250 nan 0.000 0.455 212 K N 1.236 121.545 120.400 -0.151 0.000 2.044 212 K HA -0.025 4.295 4.320 -0.000 0.000 0.204 212 K C -0.141 176.381 176.600 -0.130 0.000 1.049 212 K CA 1.097 57.315 56.287 -0.115 0.000 0.945 212 K CB 0.306 32.759 32.500 -0.079 0.000 0.724 212 K HN 0.417 nan 8.250 nan 0.000 0.440 213 N N 2.083 120.695 118.700 -0.147 0.000 2.790 213 N HA 0.225 4.965 4.740 -0.000 0.000 0.256 213 N C -2.832 172.556 175.510 -0.203 0.000 1.409 213 N CA -1.225 51.747 53.050 -0.131 0.000 0.799 213 N CB 1.722 40.167 38.487 -0.070 0.000 1.170 213 N HN 0.182 nan 8.380 nan 0.000 0.507 214 P HA 0.058 nan 4.420 nan 0.000 0.265 214 P C -0.226 176.763 177.300 -0.519 0.000 1.193 214 P CA -0.045 62.581 63.100 -0.790 0.000 0.765 214 P CB 1.099 31.690 31.700 -1.850 0.000 0.823 215 M N 2.502 121.860 119.600 -0.404 0.000 2.378 215 M HA 0.611 5.091 4.480 -0.000 0.000 0.289 215 M C -1.236 175.051 176.300 -0.021 0.000 1.136 215 M CA -0.253 54.953 55.300 -0.156 0.000 0.917 215 M CB 2.514 35.075 32.600 -0.064 0.000 1.669 215 M HN 0.584 nan 8.290 nan 0.000 0.461 216 G N 3.648 112.532 108.800 0.140 0.000 2.672 216 G HA2 0.867 4.827 3.960 -0.000 0.000 0.292 216 G HA3 0.867 4.827 3.960 -0.000 0.000 0.292 216 G C -2.033 172.961 174.900 0.156 0.000 1.375 216 G CA -0.628 44.566 45.100 0.157 0.000 0.890 216 G HN 0.832 nan 8.290 nan 0.000 0.476 217 F N -0.597 119.314 119.950 -0.065 0.000 2.688 217 F HA 0.753 5.280 4.527 -0.000 0.000 0.308 217 F C -0.314 175.459 175.800 -0.044 0.000 1.117 217 F CA -1.409 56.544 58.000 -0.078 0.000 0.976 217 F CB 1.191 40.120 39.000 -0.118 0.000 1.291 217 F HN 0.652 nan 8.300 nan 0.000 0.439 218 S N 1.431 117.182 115.700 0.085 0.000 2.578 218 S HA 0.646 5.116 4.470 -0.000 0.000 0.283 218 S C -1.533 173.220 174.600 0.254 0.000 1.195 218 S CA -0.600 57.633 58.200 0.055 0.000 1.050 218 S CB 1.707 64.929 63.200 0.036 0.000 1.012 218 S HN 0.875 nan 8.310 nan 0.000 0.511 219 Y N 1.418 121.794 120.300 0.127 0.000 2.338 219 Y HA 0.422 4.972 4.550 -0.000 0.000 0.328 219 Y C -0.981 175.028 175.900 0.182 0.000 0.965 219 Y CA -0.886 57.357 58.100 0.239 0.000 1.208 219 Y CB 1.267 39.962 38.460 0.391 0.000 1.132 219 Y HN 0.848 nan 8.280 nan 0.000 0.469 220 D N 4.410 124.657 120.400 -0.255 0.000 2.396 220 D HA 0.201 4.841 4.640 -0.000 0.000 0.225 220 D C -0.679 175.479 176.300 -0.238 0.000 1.121 220 D CA 0.024 53.936 54.000 -0.146 0.000 0.853 220 D CB 0.964 41.704 40.800 -0.101 0.000 1.043 220 D HN 0.466 nan 8.370 nan 0.000 0.500 221 T N 3.888 118.475 114.554 0.055 0.000 2.832 221 T HA 0.155 4.505 4.350 -0.000 0.000 0.296 221 T C 0.403 175.193 174.700 0.151 0.000 0.968 221 T CA -0.488 61.727 62.100 0.192 0.000 1.107 221 T CB 0.647 69.855 68.868 0.566 0.000 0.916 221 T HN 0.305 nan 8.240 nan 0.000 0.517 222 R N 2.329 122.874 120.500 0.075 0.000 2.370 222 R HA 0.151 4.490 4.340 -0.000 0.000 0.309 222 R C -0.150 176.233 176.300 0.138 0.000 1.059 222 R CA -0.257 55.874 56.100 0.052 0.000 0.981 222 R CB -0.550 29.720 30.300 -0.049 0.000 0.972 222 R HN 0.929 nan 8.270 nan 0.000 0.437 223 C N 5.684 125.101 119.300 0.194 0.000 3.514 223 C HA -0.168 4.292 4.460 -0.000 0.000 0.286 223 C C 1.382 176.576 174.990 0.341 0.000 1.302 223 C CA 0.184 59.375 59.018 0.288 0.000 2.239 223 C CB -3.026 24.941 27.740 0.378 0.000 1.429 223 C HN 1.042 nan 8.230 nan 0.000 0.565 224 F N 1.960 122.027 119.950 0.195 0.000 2.063 224 F HA -0.244 4.283 4.527 -0.000 0.000 0.298 224 F C 1.999 177.913 175.800 0.190 0.000 1.105 224 F CA 2.535 60.652 58.000 0.194 0.000 1.215 224 F CB -0.039 39.063 39.000 0.169 0.000 0.972 224 F HN 0.469 nan 8.300 nan 0.000 0.483 225 D N -0.421 120.219 120.400 0.400 0.000 2.158 225 D HA -0.177 4.463 4.640 -0.000 0.000 0.197 225 D C 2.454 178.821 176.300 0.111 0.000 0.995 225 D CA 1.717 55.875 54.000 0.264 0.000 0.846 225 D CB -0.530 40.435 40.800 0.274 0.000 0.941 225 D HN 0.271 nan 8.370 nan 0.000 0.456 226 S N -0.592 115.204 115.700 0.159 0.000 2.428 226 S HA -0.101 4.369 4.470 -0.000 0.000 0.230 226 S C 2.039 176.615 174.600 -0.040 0.000 1.014 226 S CA 1.400 59.621 58.200 0.035 0.000 0.957 226 S CB -0.186 63.087 63.200 0.121 0.000 0.784 226 S HN 0.533 nan 8.310 nan 0.000 0.499 227 T N -0.346 114.253 114.554 0.075 0.000 3.055 227 T HA 0.118 4.468 4.350 -0.000 0.000 0.265 227 T C 0.619 175.241 174.700 -0.129 0.000 1.111 227 T CA 0.054 62.179 62.100 0.041 0.000 1.118 227 T CB -0.433 68.432 68.868 -0.004 0.000 0.909 227 T HN 0.038 nan 8.240 nan 0.000 0.501 228 V N 4.157 123.951 119.914 -0.200 0.000 2.446 228 V HA 0.284 4.404 4.120 -0.000 0.000 0.276 228 V C 1.197 177.232 176.094 -0.098 0.000 1.030 228 V CA -0.233 61.972 62.300 -0.159 0.000 1.033 228 V CB -0.146 31.621 31.823 -0.095 0.000 0.993 228 V HN 0.714 nan 8.190 nan 0.000 0.477 229 T N 1.368 115.879 114.554 -0.072 0.000 2.847 229 T HA 0.331 4.681 4.350 -0.000 0.000 0.279 229 T C 0.976 175.652 174.700 -0.041 0.000 0.984 229 T CA -0.580 61.483 62.100 -0.062 0.000 0.988 229 T CB 1.305 70.143 68.868 -0.050 0.000 1.040 229 T HN 0.565 nan 8.240 nan 0.000 0.528 230 E N 0.514 120.690 120.200 -0.039 0.000 2.085 230 E HA -0.125 4.225 4.350 -0.000 0.000 0.194 230 E C 2.033 178.631 176.600 -0.004 0.000 0.994 230 E CA 1.374 57.764 56.400 -0.017 0.000 0.801 230 E CB -0.387 29.303 29.700 -0.016 0.000 0.743 230 E HN 0.752 nan 8.360 nan 0.000 0.453 231 N N 0.375 119.067 118.700 -0.014 0.000 2.188 231 N HA -0.148 4.592 4.740 -0.000 0.000 0.184 231 N C 1.070 176.585 175.510 0.009 0.000 1.018 231 N CA 1.307 54.353 53.050 -0.007 0.000 0.858 231 N CB 0.038 38.510 38.487 -0.025 0.000 0.989 231 N HN 0.052 nan 8.380 nan 0.000 0.426 232 D N 0.096 120.500 120.400 0.007 0.000 2.117 232 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 232 D C 1.848 178.160 176.300 0.021 0.000 0.987 232 D CA 0.890 54.909 54.000 0.032 0.000 0.829 232 D CB -0.188 40.625 40.800 0.022 0.000 0.961 232 D HN 0.419 nan 8.370 nan 0.000 0.460 233 I N 0.399 120.981 120.570 0.020 0.000 2.493 233 I HA -0.170 4.000 4.170 -0.000 0.000 0.254 233 I C 2.340 178.475 176.117 0.030 0.000 1.160 233 I CA 0.783 62.103 61.300 0.034 0.000 1.445 233 I CB -0.023 38.017 38.000 0.067 0.000 1.086 233 I HN -0.113 nan 8.210 nan 0.000 0.433 234 R N -0.180 120.333 120.500 0.021 0.000 2.127 234 R HA -0.012 4.328 4.340 -0.000 0.000 0.217 234 R C 2.282 178.572 176.300 -0.016 0.000 1.074 234 R CA 0.654 56.763 56.100 0.015 0.000 0.991 234 R CB -0.135 30.175 30.300 0.016 0.000 0.895 234 R HN 0.151 nan 8.270 nan 0.000 0.450 235 V N 1.109 121.013 119.914 -0.016 0.000 2.427 235 V HA -0.208 3.912 4.120 -0.000 0.000 0.248 235 V C 2.035 178.056 176.094 -0.121 0.000 1.051 235 V CA 1.664 63.946 62.300 -0.031 0.000 1.048 235 V CB -0.286 31.557 31.823 0.032 0.000 0.666 235 V HN 0.325 nan 8.190 nan 0.000 0.456 236 E N -0.280 119.823 120.200 -0.161 0.000 2.051 236 E HA -0.268 4.082 4.350 -0.000 0.000 0.192 236 E C 2.355 178.576 176.600 -0.631 0.000 0.991 236 E CA 1.470 57.642 56.400 -0.380 0.000 0.799 236 E CB -0.103 29.427 29.700 -0.284 0.000 0.748 236 E HN 0.609 nan 8.360 nan 0.000 0.449 237 E N 0.228 120.254 120.200 -0.289 0.000 2.110 237 E HA -0.194 4.156 4.350 -0.000 0.000 0.193 237 E C 2.090 178.640 176.600 -0.083 0.000 0.988 237 E CA 1.464 57.805 56.400 -0.099 0.000 0.804 237 E CB -0.004 29.744 29.700 0.079 0.000 0.745 237 E HN 0.221 nan 8.360 nan 0.000 0.458 238 S N 0.267 115.913 115.700 -0.091 0.000 2.419 238 S HA -0.131 4.339 4.470 -0.000 0.000 0.233 238 S C 2.029 176.585 174.600 -0.073 0.000 1.016 238 S CA 0.891 59.060 58.200 -0.052 0.000 0.974 238 S CB -0.476 62.700 63.200 -0.041 0.000 0.786 238 S HN 0.294 nan 8.310 nan 0.000 0.492 239 I N -0.106 120.362 120.570 -0.170 0.000 2.286 239 I HA -0.097 4.073 4.170 -0.000 0.000 0.245 239 I C 2.211 178.303 176.117 -0.043 0.000 1.104 239 I CA 1.136 62.345 61.300 -0.152 0.000 1.397 239 I CB -0.427 37.429 38.000 -0.241 0.000 1.072 239 I HN 0.224 nan 8.210 nan 0.000 0.417 240 Y N 0.982 121.280 120.300 -0.004 0.000 2.242 240 Y HA -0.182 4.368 4.550 -0.000 0.000 0.291 240 Y C 2.659 178.564 175.900 0.008 0.000 1.137 240 Y CA 0.589 58.690 58.100 0.001 0.000 1.181 240 Y CB -0.947 37.527 38.460 0.022 0.000 0.989 240 Y HN 0.205 nan 8.280 nan 0.000 0.527 241 Q N -1.162 118.733 119.800 0.158 0.000 2.364 241 Q HA -0.129 4.211 4.340 -0.000 0.000 0.207 241 Q C 2.295 178.330 176.000 0.059 0.000 0.970 241 Q CA 0.930 56.790 55.803 0.094 0.000 0.888 241 Q CB -0.838 27.938 28.738 0.064 0.000 0.951 241 Q HN 0.497 nan 8.270 nan 0.000 0.469 242 C N 0.055 119.383 119.300 0.047 0.000 2.456 242 C HA -0.004 4.456 4.460 -0.000 0.000 0.279 242 C C 1.587 176.596 174.990 0.031 0.000 1.427 242 C CA -0.775 58.258 59.018 0.026 0.000 1.778 242 C CB -0.724 27.021 27.740 0.008 0.000 1.842 242 C HN 0.398 nan 8.230 nan 0.000 0.531 243 C N 1.560 120.889 119.300 0.049 0.000 2.705 243 C HA 0.137 4.597 4.460 -0.000 0.000 0.382 243 C C 0.594 175.605 174.990 0.035 0.000 1.322 243 C CA -0.151 58.891 59.018 0.040 0.000 2.290 243 C CB -0.123 27.647 27.740 0.051 0.000 2.650 243 C HN 0.487 nan 8.230 nan 0.000 0.695 244 D N 1.591 122.007 120.400 0.026 0.000 2.365 244 D HA 0.451 5.091 4.640 -0.000 0.000 0.237 244 D C -0.647 175.672 176.300 0.031 0.000 1.190 244 D CA 0.317 54.332 54.000 0.025 0.000 0.867 244 D CB -0.035 40.776 40.800 0.018 0.000 1.050 244 D HN 0.375 nan 8.370 nan 0.000 0.491 245 L N 1.849 123.095 121.223 0.038 0.000 2.333 245 L HA 0.678 5.018 4.340 -0.000 0.000 0.263 245 L C 0.414 177.313 176.870 0.048 0.000 1.014 245 L CA -1.466 53.401 54.840 0.046 0.000 0.820 245 L CB 1.796 43.889 42.059 0.057 0.000 1.352 245 L HN 0.295 nan 8.230 nan 0.000 0.421 246 A N 1.591 124.445 122.820 0.058 0.000 2.407 246 A HA 0.398 4.718 4.320 -0.000 0.000 0.248 246 A C -1.819 175.806 177.584 0.069 0.000 1.082 246 A CA -0.997 51.078 52.037 0.062 0.000 0.785 246 A CB 0.044 19.088 19.000 0.074 0.000 1.020 246 A HN 0.614 nan 8.150 nan 0.000 0.489 247 P HA -0.283 nan 4.420 nan 0.000 0.216 247 P C 1.154 178.488 177.300 0.057 0.000 1.167 247 P CA 2.259 65.389 63.100 0.050 0.000 0.914 247 P CB 0.054 31.781 31.700 0.044 0.000 0.793 248 E N -0.837 119.418 120.200 0.091 0.000 2.418 248 E HA -0.024 4.326 4.350 -0.000 0.000 0.197 248 E C 1.809 178.479 176.600 0.117 0.000 1.026 248 E CA 0.829 57.289 56.400 0.099 0.000 0.862 248 E CB -0.671 29.142 29.700 0.189 0.000 0.799 248 E HN 0.131 nan 8.360 nan 0.000 0.518 249 A N 2.169 125.084 122.820 0.157 0.000 1.872 249 A HA -0.096 4.224 4.320 -0.000 0.000 0.214 249 A C 2.253 179.885 177.584 0.080 0.000 1.187 249 A CA 1.132 53.270 52.037 0.169 0.000 0.614 249 A CB -0.342 18.746 19.000 0.147 0.000 0.826 249 A HN 0.131 nan 8.150 nan 0.000 0.442 250 R N -0.942 119.594 120.500 0.059 0.000 2.091 250 R HA -0.194 4.146 4.340 -0.000 0.000 0.238 250 R C 2.474 178.777 176.300 0.005 0.000 1.136 250 R CA 1.739 57.864 56.100 0.041 0.000 0.959 250 R CB -0.286 30.036 30.300 0.037 0.000 0.856 250 R HN 0.650 nan 8.270 nan 0.000 0.437 251 Q N 0.699 120.483 119.800 -0.028 0.000 2.079 251 Q HA -0.061 4.279 4.340 -0.000 0.000 0.200 251 Q C 1.949 177.858 176.000 -0.151 0.000 0.974 251 Q CA 1.863 57.617 55.803 -0.081 0.000 0.840 251 Q CB -0.170 28.510 28.738 -0.098 0.000 0.898 251 Q HN 0.328 nan 8.270 nan 0.000 0.430 252 A N 0.226 122.917 122.820 -0.214 0.000 1.902 252 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 252 A C 2.103 179.601 177.584 -0.144 0.000 1.181 252 A CA 1.461 53.296 52.037 -0.338 0.000 0.623 252 A CB -0.704 17.985 19.000 -0.518 0.000 0.818 252 A HN 0.487 nan 8.150 nan 0.000 0.443 253 I N -0.578 119.975 120.570 -0.028 0.000 2.252 253 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 253 I C 2.534 178.679 176.117 0.047 0.000 1.102 253 I CA 1.760 63.096 61.300 0.058 0.000 1.385 253 I CB -0.255 37.815 38.000 0.117 0.000 1.064 253 I HN 0.400 nan 8.210 nan 0.000 0.414 254 K N 0.639 121.044 120.400 0.009 0.000 2.057 254 K HA -0.200 4.120 4.320 -0.000 0.000 0.207 254 K C 2.359 178.932 176.600 -0.045 0.000 1.049 254 K CA 1.797 58.084 56.287 0.000 0.000 0.931 254 K CB -0.085 32.408 32.500 -0.013 0.000 0.714 254 K HN 0.092 nan 8.250 nan 0.000 0.440 255 S N 0.632 116.275 115.700 -0.095 0.000 2.355 255 S HA -0.058 4.411 4.470 -0.000 0.000 0.222 255 S C 1.949 176.446 174.600 -0.171 0.000 1.031 255 S CA 0.977 59.098 58.200 -0.132 0.000 0.993 255 S CB -0.218 62.875 63.200 -0.178 0.000 0.859 255 S HN 0.345 nan 8.310 nan 0.000 0.453 256 L N 0.692 121.786 121.223 -0.215 0.000 2.083 256 L HA -0.096 4.244 4.340 -0.000 0.000 0.209 256 L C 2.756 179.294 176.870 -0.554 0.000 1.083 256 L CA 1.520 56.113 54.840 -0.411 0.000 0.752 256 L CB -0.984 40.829 42.059 -0.410 0.000 0.899 256 L HN 0.331 nan 8.230 nan 0.000 0.433 257 T N -1.012 113.415 114.554 -0.211 0.000 2.674 257 T HA -0.148 4.202 4.350 -0.000 0.000 0.265 257 T C 1.794 176.480 174.700 -0.023 0.000 1.039 257 T CA 1.175 63.285 62.100 0.018 0.000 1.150 257 T CB -0.089 68.877 68.868 0.163 0.000 0.864 257 T HN 0.263 nan 8.240 nan 0.000 0.427 258 E N 1.039 121.213 120.200 -0.044 0.000 2.152 258 E HA 0.008 4.358 4.350 -0.000 0.000 0.192 258 E C 2.289 178.860 176.600 -0.048 0.000 0.983 258 E CA 0.868 57.249 56.400 -0.031 0.000 0.818 258 E CB -0.108 29.575 29.700 -0.029 0.000 0.758 258 E HN 0.461 nan 8.360 nan 0.000 0.467 259 R N -0.560 119.882 120.500 -0.096 0.000 2.265 259 R HA 0.130 4.470 4.340 -0.000 0.000 0.194 259 R C 1.745 177.978 176.300 -0.113 0.000 0.931 259 R CA 0.225 56.272 56.100 -0.089 0.000 1.032 259 R CB 0.342 30.585 30.300 -0.096 0.000 0.980 259 R HN 0.034 nan 8.270 nan 0.000 0.497 260 L N -2.218 118.894 121.223 -0.185 0.000 2.691 260 L HA 0.190 4.530 4.340 -0.000 0.000 0.185 260 L C 1.234 178.080 176.870 -0.041 0.000 1.081 260 L CA 0.724 55.460 54.840 -0.172 0.000 0.865 260 L CB -0.284 41.600 42.059 -0.290 0.000 1.370 260 L HN -0.143 nan 8.230 nan 0.000 0.488 261 Y N 1.717 122.024 120.300 0.011 0.000 2.181 261 Y HA -0.089 4.461 4.550 -0.000 0.000 0.288 261 Y C 2.517 178.411 175.900 -0.008 0.000 1.146 261 Y CA 1.554 59.666 58.100 0.020 0.000 1.164 261 Y CB -1.220 37.275 38.460 0.059 0.000 0.982 261 Y HN 0.380 nan 8.280 nan 0.000 0.515 262 I N -2.439 118.206 120.570 0.124 0.000 3.001 262 I HA 0.361 4.531 4.170 -0.000 0.000 0.268 262 I C 1.024 177.133 176.117 -0.013 0.000 1.267 262 I CA 0.901 62.231 61.300 0.051 0.000 1.472 262 I CB -0.509 37.514 38.000 0.039 0.000 1.089 262 I HN 0.143 nan 8.210 nan 0.000 0.468 263 G N -0.249 108.520 108.800 -0.052 0.000 2.369 263 G HA2 0.436 4.396 3.960 -0.000 0.000 0.295 263 G HA3 0.436 4.396 3.960 -0.000 0.000 0.295 263 G C -0.707 174.005 174.900 -0.313 0.000 1.298 263 G CA -0.348 44.636 45.100 -0.194 0.000 0.940 263 G HN 0.850 nan 8.290 nan 0.000 0.536 264 G N -1.035 107.296 108.800 -0.782 0.000 2.320 264 G HA2 0.722 4.681 3.960 -0.000 0.000 0.297 264 G HA3 0.722 4.681 3.960 -0.000 0.000 0.297 264 G C -3.440 170.837 174.900 -1.038 0.000 1.344 264 G CA 0.252 44.868 45.100 -0.808 0.000 0.851 264 G HN 0.918 nan 8.290 nan 0.000 0.567 265 P HA 0.426 nan 4.420 nan 0.000 0.271 265 P C -0.517 176.706 177.300 -0.129 0.000 1.218 265 P CA -0.073 62.940 63.100 -0.144 0.000 0.780 265 P CB 1.182 32.917 31.700 0.059 0.000 0.901 266 L N 2.491 123.682 121.223 -0.054 0.000 2.307 266 L HA 0.475 4.815 4.340 -0.000 0.000 0.284 266 L C 0.481 177.363 176.870 0.020 0.000 1.023 266 L CA -0.220 54.611 54.840 -0.014 0.000 0.810 266 L CB 1.678 43.768 42.059 0.051 0.000 1.231 266 L HN 0.298 nan 8.230 nan 0.000 0.423 267 T N 1.308 115.853 114.554 -0.014 0.000 2.848 267 T HA 0.318 4.668 4.350 -0.000 0.000 0.285 267 T C -0.270 174.420 174.700 -0.017 0.000 0.995 267 T CA -0.879 61.215 62.100 -0.010 0.000 0.970 267 T CB 1.486 70.332 68.868 -0.036 0.000 0.976 267 T HN 0.649 nan 8.240 nan 0.000 0.441 268 N N 0.904 119.611 118.700 0.011 0.000 2.327 268 N HA 0.111 4.851 4.740 -0.000 0.000 0.257 268 N C 1.494 177.002 175.510 -0.002 0.000 1.281 268 N CA -0.161 52.896 53.050 0.012 0.000 0.942 268 N CB 0.151 38.653 38.487 0.025 0.000 1.199 268 N HN 0.455 nan 8.380 nan 0.000 0.532 269 S N -0.740 114.967 115.700 0.012 0.000 2.419 269 S HA -0.154 4.316 4.470 -0.000 0.000 0.233 269 S C 1.199 175.801 174.600 0.004 0.000 1.016 269 S CA 0.818 59.027 58.200 0.014 0.000 0.974 269 S CB -0.478 62.743 63.200 0.035 0.000 0.786 269 S HN 0.628 nan 8.310 nan 0.000 0.492 270 K N 0.832 121.235 120.400 0.006 0.000 2.439 270 K HA 0.186 4.505 4.320 -0.000 0.000 0.197 270 K C 1.425 178.022 176.600 -0.005 0.000 1.041 270 K CA 0.492 56.781 56.287 0.002 0.000 0.970 270 K CB -0.317 32.187 32.500 0.007 0.000 0.773 270 K HN 0.617 nan 8.250 nan 0.000 0.479 271 G N 1.294 110.089 108.800 -0.008 0.000 2.179 271 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 271 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 271 G C -0.235 174.665 174.900 -0.001 0.000 0.990 271 G CA -0.308 44.784 45.100 -0.014 0.000 0.646 271 G HN 0.315 nan 8.290 nan 0.000 0.517 272 Q N -0.049 119.757 119.800 0.010 0.000 2.312 272 Q HA 0.451 4.791 4.340 -0.000 0.000 0.236 272 Q C 0.130 176.150 176.000 0.034 0.000 0.965 272 Q CA -0.506 55.310 55.803 0.022 0.000 0.894 272 Q CB 0.698 29.452 28.738 0.026 0.000 1.225 272 Q HN 0.246 nan 8.270 nan 0.000 0.478 273 N N 0.360 119.088 118.700 0.045 0.000 2.401 273 N HA 0.061 4.800 4.740 -0.000 0.000 0.255 273 N C -0.500 175.067 175.510 0.095 0.000 1.110 273 N CA -0.120 52.968 53.050 0.063 0.000 0.949 273 N CB 0.464 38.988 38.487 0.062 0.000 1.110 273 N HN 0.558 nan 8.380 nan 0.000 0.490 274 C N 2.372 121.747 119.300 0.125 0.000 2.563 274 C HA 0.555 5.015 4.460 -0.000 0.000 0.268 274 C C 1.306 176.467 174.990 0.285 0.000 1.365 274 C CA 0.556 59.703 59.018 0.215 0.000 1.754 274 C CB -1.535 26.360 27.740 0.258 0.000 1.932 274 C HN 0.928 nan 8.230 nan 0.000 0.536 275 G N -1.245 107.657 108.800 0.169 0.000 2.291 275 G HA2 0.220 4.180 3.960 -0.000 0.000 0.249 275 G HA3 0.220 4.180 3.960 -0.000 0.000 0.249 275 G C -1.993 172.959 174.900 0.086 0.000 1.340 275 G CA -0.492 44.673 45.100 0.108 0.000 1.017 275 G HN 0.028 nan 8.290 nan 0.000 0.470 276 Y N 0.745 120.945 120.300 -0.167 0.000 2.477 276 Y HA 0.784 5.333 4.550 -0.000 0.000 0.347 276 Y C 0.109 175.868 175.900 -0.236 0.000 0.981 276 Y CA -0.843 57.163 58.100 -0.157 0.000 1.033 276 Y CB 2.027 40.406 38.460 -0.134 0.000 1.245 276 Y HN 0.719 nan 8.280 nan 0.000 0.455 277 R N 4.335 124.536 120.500 -0.499 0.000 2.514 277 R HA 0.561 4.901 4.340 -0.000 0.000 0.301 277 R C -0.754 175.294 176.300 -0.421 0.000 0.962 277 R CA -0.606 55.189 56.100 -0.508 0.000 0.882 277 R CB 1.039 31.106 30.300 -0.388 0.000 1.143 277 R HN 0.929 nan 8.270 nan 0.000 0.452 278 R N 2.783 123.035 120.500 -0.413 0.000 2.659 278 R HA 0.213 4.553 4.340 -0.000 0.000 0.418 278 R C -0.465 175.679 176.300 -0.259 0.000 1.076 278 R CA -0.292 55.673 56.100 -0.225 0.000 1.093 278 R CB 0.493 30.712 30.300 -0.135 0.000 1.400 278 R HN 0.771 nan 8.270 nan 0.000 0.583 279 C N -1.704 117.391 119.300 -0.342 0.000 3.308 279 C HA 0.630 5.090 4.460 -0.000 0.000 0.360 279 C C -0.144 174.767 174.990 -0.132 0.000 1.695 279 C CA -1.526 57.344 59.018 -0.248 0.000 1.366 279 C CB 1.189 28.727 27.740 -0.338 0.000 2.121 279 C HN 0.323 nan 8.230 nan 0.000 0.442 280 R N 1.160 121.633 120.500 -0.044 0.000 2.522 280 R HA 0.475 4.815 4.340 -0.000 0.000 0.284 280 R C -0.015 176.332 176.300 0.077 0.000 1.032 280 R CA 0.926 57.052 56.100 0.043 0.000 1.049 280 R CB -0.068 30.295 30.300 0.105 0.000 0.956 280 R HN 1.158 nan 8.270 nan 0.000 0.422 281 A N 3.544 126.425 122.820 0.101 0.000 2.320 281 A HA 0.245 4.565 4.320 -0.000 0.000 0.287 281 A C 0.963 178.641 177.584 0.157 0.000 1.181 281 A CA -0.016 52.104 52.037 0.139 0.000 0.831 281 A CB 0.594 19.686 19.000 0.153 0.000 1.102 281 A HN 1.014 nan 8.150 nan 0.000 0.513 282 S N 2.040 117.850 115.700 0.183 0.000 2.515 282 S HA 0.040 4.510 4.470 -0.000 0.000 0.231 282 S C 1.063 175.759 174.600 0.160 0.000 0.987 282 S CA 0.884 59.187 58.200 0.171 0.000 0.936 282 S CB 0.007 63.316 63.200 0.181 0.000 0.766 282 S HN 1.264 nan 8.310 nan 0.000 0.528 283 G N 1.564 110.483 108.800 0.198 0.000 4.433 283 G HA2 0.519 4.479 3.960 -0.000 0.000 0.304 283 G HA3 0.519 4.479 3.960 -0.000 0.000 0.304 283 G C -0.156 174.874 174.900 0.216 0.000 1.254 283 G CA -0.028 45.199 45.100 0.212 0.000 0.999 283 G HN 0.596 nan 8.290 nan 0.000 0.576 284 V N -2.655 117.363 119.914 0.173 0.000 3.046 284 V HA 0.593 4.713 4.120 -0.000 0.000 0.316 284 V C 1.359 177.522 176.094 0.115 0.000 1.104 284 V CA -0.959 61.456 62.300 0.191 0.000 1.006 284 V CB 1.722 33.709 31.823 0.273 0.000 1.058 284 V HN 0.058 nan 8.190 nan 0.000 0.440 285 L N 2.271 123.576 121.223 0.138 0.000 2.079 285 L HA -0.056 4.284 4.340 -0.000 0.000 0.210 285 L C 2.361 179.235 176.870 0.007 0.000 1.081 285 L CA 3.082 57.986 54.840 0.106 0.000 0.752 285 L CB -0.635 41.519 42.059 0.159 0.000 0.896 285 L HN 1.098 nan 8.230 nan 0.000 0.433 286 T N -5.814 108.668 114.554 -0.120 0.000 3.148 286 T HA -0.021 4.329 4.350 -0.000 0.000 0.253 286 T C 1.598 176.229 174.700 -0.116 0.000 1.134 286 T CA 0.777 62.765 62.100 -0.187 0.000 1.051 286 T CB -0.764 67.870 68.868 -0.391 0.000 0.959 286 T HN 0.294 nan 8.240 nan 0.000 0.525 287 T N 2.056 116.569 114.554 -0.067 0.000 2.635 287 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 287 T C 2.194 176.906 174.700 0.019 0.000 1.040 287 T CA 1.868 63.969 62.100 0.002 0.000 1.156 287 T CB -0.717 68.179 68.868 0.047 0.000 0.863 287 T HN 0.557 nan 8.240 nan 0.000 0.430 288 S N -0.303 115.381 115.700 -0.027 0.000 2.348 288 S HA -0.156 4.314 4.470 -0.000 0.000 0.221 288 S C 2.458 177.060 174.600 0.004 0.000 1.033 288 S CA 1.466 59.637 58.200 -0.049 0.000 1.010 288 S CB -0.979 62.080 63.200 -0.235 0.000 0.891 288 S HN 0.674 nan 8.310 nan 0.000 0.442 289 C N 1.304 120.580 119.300 -0.041 0.000 2.413 289 C HA 0.061 4.521 4.460 -0.000 0.000 0.276 289 C C 2.840 177.875 174.990 0.075 0.000 1.236 289 C CA 1.205 60.226 59.018 0.004 0.000 1.735 289 C CB -1.829 25.888 27.740 -0.038 0.000 2.031 289 C HN 0.722 nan 8.230 nan 0.000 0.474 290 G N 0.412 109.265 108.800 0.088 0.000 2.446 290 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.217 290 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.217 290 G C 1.524 176.509 174.900 0.142 0.000 1.168 290 G CA 1.131 46.290 45.100 0.099 0.000 0.771 290 G HN 0.593 nan 8.290 nan 0.000 0.551 291 N N 0.380 119.177 118.700 0.163 0.000 2.120 291 N HA -0.079 4.661 4.740 -0.000 0.000 0.188 291 N C 2.427 178.014 175.510 0.128 0.000 1.024 291 N CA 1.644 54.830 53.050 0.227 0.000 0.852 291 N CB -0.723 37.828 38.487 0.106 0.000 1.003 291 N HN 0.263 nan 8.380 nan 0.000 0.424 292 T N 1.594 116.217 114.554 0.116 0.000 2.708 292 T HA -0.010 4.340 4.350 -0.000 0.000 0.266 292 T C 2.146 176.940 174.700 0.157 0.000 1.037 292 T CA 0.652 62.835 62.100 0.140 0.000 1.146 292 T CB -0.287 68.731 68.868 0.249 0.000 0.865 292 T HN 0.128 nan 8.240 nan 0.000 0.435 293 L N 0.673 121.965 121.223 0.115 0.000 2.046 293 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 293 L C 2.951 179.926 176.870 0.175 0.000 1.077 293 L CA 1.274 56.170 54.840 0.092 0.000 0.747 293 L CB -0.966 41.098 42.059 0.008 0.000 0.896 293 L HN 0.295 nan 8.230 nan 0.000 0.432 294 T N -1.436 113.238 114.554 0.200 0.000 2.737 294 T HA -0.236 4.114 4.350 -0.000 0.000 0.265 294 T C 2.012 176.913 174.700 0.336 0.000 1.038 294 T CA 1.445 63.696 62.100 0.252 0.000 1.144 294 T CB -0.508 68.539 68.868 0.299 0.000 0.866 294 T HN 0.464 nan 8.240 nan 0.000 0.434 295 C N 0.717 120.265 119.300 0.413 0.000 2.432 295 C HA -0.112 4.348 4.460 -0.000 0.000 0.277 295 C C 2.401 177.550 174.990 0.265 0.000 1.249 295 C CA 0.655 59.898 59.018 0.375 0.000 1.725 295 C CB -1.433 26.397 27.740 0.149 0.000 2.028 295 C HN 0.640 nan 8.230 nan 0.000 0.477 296 Y N 1.144 121.511 120.300 0.111 0.000 2.128 296 Y HA -0.154 4.395 4.550 -0.000 0.000 0.284 296 Y C 2.191 178.114 175.900 0.038 0.000 1.154 296 Y CA 2.225 60.367 58.100 0.070 0.000 1.149 296 Y CB -0.707 37.781 38.460 0.046 0.000 0.976 296 Y HN 0.345 nan 8.280 nan 0.000 0.505 297 L N 1.107 122.386 121.223 0.093 0.000 1.989 297 L HA -0.212 4.128 4.340 -0.000 0.000 0.211 297 L C 2.142 178.918 176.870 -0.156 0.000 1.071 297 L CA 2.106 56.880 54.840 -0.111 0.000 0.749 297 L CB -0.958 41.028 42.059 -0.122 0.000 0.890 297 L HN 0.188 nan 8.230 nan 0.000 0.431 298 K N -0.496 119.906 120.400 0.004 0.000 2.057 298 K HA -0.084 4.236 4.320 -0.000 0.000 0.207 298 K C 2.087 178.726 176.600 0.064 0.000 1.049 298 K CA 1.365 57.703 56.287 0.085 0.000 0.931 298 K CB -0.443 32.197 32.500 0.233 0.000 0.714 298 K HN 0.502 nan 8.250 nan 0.000 0.440 299 A N 1.081 123.915 122.820 0.024 0.000 1.898 299 A HA -0.142 4.178 4.320 -0.000 0.000 0.216 299 A C 2.229 179.816 177.584 0.005 0.000 1.181 299 A CA 1.784 53.837 52.037 0.026 0.000 0.620 299 A CB -0.520 18.572 19.000 0.154 0.000 0.819 299 A HN 0.166 nan 8.150 nan 0.000 0.442 300 S N -0.090 115.514 115.700 -0.159 0.000 2.368 300 S HA -0.044 4.426 4.470 -0.000 0.000 0.225 300 S C 2.319 176.856 174.600 -0.104 0.000 1.030 300 S CA 1.196 59.270 58.200 -0.210 0.000 0.999 300 S CB -0.471 62.447 63.200 -0.470 0.000 0.844 300 S HN 0.793 nan 8.310 nan 0.000 0.459 301 A N 1.566 124.336 122.820 -0.083 0.000 1.902 301 A HA 0.100 4.420 4.320 -0.000 0.000 0.217 301 A C 2.346 179.973 177.584 0.072 0.000 1.181 301 A CA 1.712 53.762 52.037 0.022 0.000 0.623 301 A CB -1.065 17.942 19.000 0.013 0.000 0.818 301 A HN 0.519 nan 8.150 nan 0.000 0.443 302 A N -1.224 121.627 122.820 0.052 0.000 1.969 302 A HA -0.131 4.189 4.320 -0.000 0.000 0.218 302 A C 2.246 179.801 177.584 -0.047 0.000 1.169 302 A CA 1.571 53.484 52.037 -0.208 0.000 0.635 302 A CB -1.164 17.310 19.000 -0.876 0.000 0.810 302 A HN 0.593 nan 8.150 nan 0.000 0.445 303 C N -0.876 118.506 119.300 0.136 0.000 2.446 303 C HA -0.062 4.398 4.460 -0.000 0.000 0.277 303 C C 2.871 177.878 174.990 0.029 0.000 1.275 303 C CA 1.049 60.207 59.018 0.233 0.000 1.727 303 C CB -1.228 26.615 27.740 0.172 0.000 2.010 303 C HN 0.613 nan 8.230 nan 0.000 0.486 304 R N 1.054 121.482 120.500 -0.120 0.000 2.092 304 R HA -0.052 4.288 4.340 -0.000 0.000 0.231 304 R C 2.393 178.417 176.300 -0.460 0.000 1.119 304 R CA 1.478 57.391 56.100 -0.312 0.000 0.970 304 R CB -0.489 29.535 30.300 -0.461 0.000 0.864 304 R HN 0.528 nan 8.270 nan 0.000 0.440 305 A N 1.453 124.019 122.820 -0.423 0.000 1.902 305 A HA -0.074 4.245 4.320 -0.000 0.000 0.217 305 A C 2.280 179.833 177.584 -0.052 0.000 1.181 305 A CA 1.663 53.588 52.037 -0.187 0.000 0.623 305 A CB -0.504 18.472 19.000 -0.040 0.000 0.818 305 A HN 0.378 nan 8.150 nan 0.000 0.443 306 A N -1.493 121.321 122.820 -0.009 0.000 2.206 306 A HA 0.199 4.519 4.320 -0.000 0.000 0.211 306 A C 1.079 178.682 177.584 0.031 0.000 1.158 306 A CA 1.004 53.069 52.037 0.047 0.000 0.761 306 A CB -0.440 18.652 19.000 0.153 0.000 0.801 306 A HN 0.515 nan 8.150 nan 0.000 0.473 307 K N -1.303 119.099 120.400 0.003 0.000 3.129 307 K HA -0.151 4.169 4.320 -0.000 0.000 0.273 307 K C -0.743 175.868 176.600 0.019 0.000 1.123 307 K CA 0.441 56.731 56.287 0.004 0.000 0.800 307 K CB -2.075 30.433 32.500 0.012 0.000 1.238 307 K HN 0.541 nan 8.250 nan 0.000 0.492 308 L N 1.724 122.970 121.223 0.038 0.000 2.455 308 L HA 0.008 4.348 4.340 -0.000 0.000 0.272 308 L C 0.982 177.865 176.870 0.022 0.000 1.174 308 L CA 0.348 55.214 54.840 0.043 0.000 0.869 308 L CB 0.338 42.447 42.059 0.083 0.000 1.130 308 L HN 0.150 nan 8.230 nan 0.000 0.474 309 Q N 2.067 121.874 119.800 0.011 0.000 2.267 309 Q HA 0.083 4.423 4.340 -0.000 0.000 0.255 309 Q C -0.150 175.842 176.000 -0.013 0.000 0.923 309 Q CA -0.454 55.347 55.803 -0.002 0.000 0.925 309 Q CB 0.764 29.496 28.738 -0.009 0.000 1.195 309 Q HN 0.472 nan 8.270 nan 0.000 0.417 310 D N 1.226 121.618 120.400 -0.013 0.000 2.802 310 D HA -0.190 4.450 4.640 -0.000 0.000 0.229 310 D C -1.318 174.966 176.300 -0.026 0.000 1.203 310 D CA 0.183 54.171 54.000 -0.020 0.000 0.712 310 D CB -0.802 39.976 40.800 -0.036 0.000 0.973 310 D HN 0.498 nan 8.370 nan 0.000 0.407 311 C N 1.062 120.357 119.300 -0.009 0.000 2.601 311 C HA 0.607 5.067 4.460 -0.000 0.000 0.409 311 C C 0.825 175.815 174.990 0.000 0.000 1.293 311 C CA -0.149 58.863 59.018 -0.010 0.000 2.101 311 C CB 0.992 28.738 27.740 0.009 0.000 2.639 311 C HN 0.521 nan 8.230 nan 0.000 0.592 312 T N 5.050 119.596 114.554 -0.012 0.000 2.937 312 T HA 0.472 4.822 4.350 -0.000 0.000 0.297 312 T C -0.507 174.218 174.700 0.042 0.000 0.991 312 T CA -0.245 61.877 62.100 0.036 0.000 0.990 312 T CB 0.882 69.745 68.868 -0.008 0.000 0.991 312 T HN 0.538 nan 8.240 nan 0.000 0.440 313 M N 3.085 122.755 119.600 0.116 0.000 2.537 313 M HA 0.675 5.155 4.480 -0.000 0.000 0.324 313 M C -1.213 175.212 176.300 0.209 0.000 1.187 313 M CA -1.162 54.201 55.300 0.106 0.000 0.993 313 M CB 1.942 34.600 32.600 0.098 0.000 1.666 313 M HN 0.321 nan 8.290 nan 0.000 0.461 314 L N 2.644 123.954 121.223 0.146 0.000 2.404 314 L HA 0.695 5.034 4.340 -0.000 0.000 0.272 314 L C -1.491 175.404 176.870 0.042 0.000 0.980 314 L CA -0.481 54.446 54.840 0.145 0.000 0.836 314 L CB 1.822 43.987 42.059 0.177 0.000 1.238 314 L HN 0.511 nan 8.230 nan 0.000 0.408 315 V N 4.170 124.091 119.914 0.011 0.000 2.604 315 V HA 0.620 4.740 4.120 -0.000 0.000 0.305 315 V C -0.763 175.196 176.094 -0.224 0.000 1.043 315 V CA -0.664 61.617 62.300 -0.031 0.000 0.888 315 V CB 2.116 34.008 31.823 0.114 0.000 0.995 315 V HN 0.806 nan 8.190 nan 0.000 0.429 316 N N 2.952 121.485 118.700 -0.277 0.000 2.607 316 N HA 0.585 5.324 4.740 -0.000 0.000 0.271 316 N C 0.493 175.910 175.510 -0.154 0.000 1.142 316 N CA 0.461 53.188 53.050 -0.538 0.000 0.810 316 N CB 1.754 39.785 38.487 -0.761 0.000 1.306 316 N HN 1.109 nan 8.380 nan 0.000 0.536 317 G N 2.526 111.362 108.800 0.059 0.000 2.660 317 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.321 317 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.321 317 G C 0.638 175.382 174.900 -0.261 0.000 1.246 317 G CA 1.052 46.144 45.100 -0.014 0.000 1.000 317 G HN 0.656 nan 8.290 nan 0.000 0.550 318 D N 0.988 121.141 120.400 -0.412 0.000 2.349 318 D HA 0.114 4.754 4.640 -0.000 0.000 0.224 318 D C 0.555 176.728 176.300 -0.211 0.000 1.029 318 D CA 0.933 54.538 54.000 -0.658 0.000 0.879 318 D CB -0.074 40.275 40.800 -0.752 0.000 0.906 318 D HN 0.432 nan 8.370 nan 0.000 0.528 319 D N 0.464 120.791 120.400 -0.122 0.000 2.295 319 D HA 0.288 4.928 4.640 -0.000 0.000 0.248 319 D C -0.994 175.290 176.300 -0.028 0.000 1.154 319 D CA -0.510 53.462 54.000 -0.047 0.000 0.857 319 D CB 0.959 41.726 40.800 -0.055 0.000 1.117 319 D HN 0.079 nan 8.370 nan 0.000 0.468 320 L N 4.892 126.138 121.223 0.038 0.000 2.408 320 L HA 0.562 4.902 4.340 -0.000 0.000 0.268 320 L C -1.759 175.108 176.870 -0.005 0.000 0.986 320 L CA -0.682 54.187 54.840 0.049 0.000 0.820 320 L CB 1.996 44.148 42.059 0.154 0.000 1.303 320 L HN 0.150 nan 8.230 nan 0.000 0.411 321 V N 5.647 125.516 119.914 -0.075 0.000 2.760 321 V HA 0.787 4.907 4.120 -0.000 0.000 0.309 321 V C -1.489 174.442 176.094 -0.272 0.000 1.077 321 V CA -0.347 61.846 62.300 -0.178 0.000 0.910 321 V CB 2.397 34.154 31.823 -0.110 0.000 1.008 321 V HN 0.613 nan 8.190 nan 0.000 0.424 322 V N 7.546 127.122 119.914 -0.564 0.000 2.604 322 V HA 0.605 4.725 4.120 -0.000 0.000 0.305 322 V C -0.414 175.445 176.094 -0.392 0.000 1.043 322 V CA -0.474 61.490 62.300 -0.560 0.000 0.888 322 V CB 1.881 33.123 31.823 -0.970 0.000 0.995 322 V HN 0.753 nan 8.190 nan 0.000 0.429 323 I N 4.836 125.296 120.570 -0.183 0.000 2.436 323 I HA 0.710 4.880 4.170 -0.000 0.000 0.289 323 I C -0.113 175.941 176.117 -0.105 0.000 1.010 323 I CA -0.321 60.925 61.300 -0.089 0.000 1.098 323 I CB 1.707 39.691 38.000 -0.026 0.000 1.266 323 I HN 0.902 nan 8.210 nan 0.000 0.434 324 C N 2.489 121.725 119.300 -0.105 0.000 3.311 324 C HA 0.578 5.037 4.460 -0.000 0.000 0.366 324 C C -0.749 174.168 174.990 -0.123 0.000 1.694 324 C CA -0.895 58.071 59.018 -0.087 0.000 1.244 324 C CB 1.818 29.547 27.740 -0.017 0.000 2.038 324 C HN 0.608 nan 8.230 nan 0.000 0.436 325 E N 1.665 121.815 120.200 -0.084 0.000 2.259 325 E HA 0.372 4.722 4.350 -0.000 0.000 0.281 325 E C -0.020 176.559 176.600 -0.035 0.000 1.027 325 E CA 0.401 56.751 56.400 -0.083 0.000 0.838 325 E CB 1.797 31.459 29.700 -0.063 0.000 1.066 325 E HN 0.705 nan 8.360 nan 0.000 0.401 326 S N 1.369 117.059 115.700 -0.017 0.000 2.585 326 S HA 0.342 4.811 4.470 -0.000 0.000 0.273 326 S C 0.366 174.982 174.600 0.027 0.000 1.339 326 S CA 0.109 58.342 58.200 0.056 0.000 1.028 326 S CB 0.662 63.944 63.200 0.137 0.000 0.906 326 S HN 0.526 nan 8.310 nan 0.000 0.528 327 A N 2.709 125.552 122.820 0.039 0.000 2.589 327 A HA 0.664 4.984 4.320 -0.000 0.000 0.283 327 A C 0.773 178.364 177.584 0.012 0.000 1.187 327 A CA 0.222 52.269 52.037 0.015 0.000 0.957 327 A CB -0.723 18.285 19.000 0.013 0.000 1.175 327 A HN 1.883 nan 8.150 nan 0.000 0.532 328 G N -1.116 107.693 108.800 0.015 0.000 2.617 328 G HA2 0.089 4.049 3.960 -0.000 0.000 0.686 328 G HA3 0.089 4.049 3.960 -0.000 0.000 0.686 328 G C 0.555 175.471 174.900 0.026 0.000 1.214 328 G CA 0.193 45.289 45.100 -0.008 0.000 0.796 328 G HN 1.091 nan 8.290 nan 0.000 0.654 329 T N -1.505 113.041 114.554 -0.014 0.000 2.674 329 T HA -0.189 4.161 4.350 -0.000 0.000 0.265 329 T C 2.132 176.865 174.700 0.055 0.000 1.039 329 T CA 2.223 64.350 62.100 0.045 0.000 1.150 329 T CB -0.333 68.521 68.868 -0.024 0.000 0.864 329 T HN 0.820 nan 8.240 nan 0.000 0.427 330 Q N 0.920 120.731 119.800 0.019 0.000 2.119 330 Q HA -0.152 4.188 4.340 -0.000 0.000 0.201 330 Q C 2.217 178.225 176.000 0.014 0.000 0.972 330 Q CA 1.604 57.416 55.803 0.014 0.000 0.847 330 Q CB -0.099 28.641 28.738 0.003 0.000 0.903 330 Q HN 0.668 nan 8.270 nan 0.000 0.433 331 E N 0.511 120.720 120.200 0.015 0.000 2.107 331 E HA -0.149 4.201 4.350 -0.000 0.000 0.191 331 E C 1.602 178.209 176.600 0.012 0.000 0.982 331 E CA 1.335 57.742 56.400 0.011 0.000 0.809 331 E CB 0.023 29.729 29.700 0.010 0.000 0.756 331 E HN 0.379 nan 8.360 nan 0.000 0.459 332 D N 0.307 120.727 120.400 0.035 0.000 2.117 332 D HA -0.115 4.525 4.640 -0.000 0.000 0.197 332 D C 1.871 178.153 176.300 -0.030 0.000 0.987 332 D CA 1.433 55.446 54.000 0.022 0.000 0.829 332 D CB -0.349 40.516 40.800 0.108 0.000 0.961 332 D HN 0.198 nan 8.370 nan 0.000 0.460 333 A N 1.007 123.826 122.820 -0.003 0.000 1.902 333 A HA -0.068 4.252 4.320 -0.000 0.000 0.217 333 A C 2.303 179.865 177.584 -0.037 0.000 1.181 333 A CA 2.291 54.313 52.037 -0.026 0.000 0.623 333 A CB -0.701 18.301 19.000 0.003 0.000 0.818 333 A HN 0.241 nan 8.150 nan 0.000 0.443 334 A N -0.756 122.052 122.820 -0.020 0.000 1.930 334 A HA -0.020 4.300 4.320 -0.000 0.000 0.217 334 A C 2.422 179.993 177.584 -0.021 0.000 1.175 334 A CA 1.907 53.934 52.037 -0.015 0.000 0.627 334 A CB -0.790 18.206 19.000 -0.006 0.000 0.815 334 A HN 0.440 nan 8.150 nan 0.000 0.443 335 S N -0.282 115.400 115.700 -0.030 0.000 2.368 335 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 335 S C 1.733 176.304 174.600 -0.048 0.000 1.030 335 S CA 1.471 59.654 58.200 -0.027 0.000 0.999 335 S CB -0.349 62.833 63.200 -0.031 0.000 0.844 335 S HN 0.374 nan 8.310 nan 0.000 0.459 336 L N 1.472 122.611 121.223 -0.140 0.000 2.141 336 L HA 0.023 4.363 4.340 -0.000 0.000 0.209 336 L C 2.352 179.202 176.870 -0.032 0.000 1.094 336 L CA 1.488 56.194 54.840 -0.223 0.000 0.763 336 L CB -0.528 41.293 42.059 -0.397 0.000 0.908 336 L HN 0.177 nan 8.230 nan 0.000 0.437 337 R N -1.579 118.910 120.500 -0.019 0.000 2.092 337 R HA -0.084 4.256 4.340 -0.000 0.000 0.231 337 R C 2.166 178.482 176.300 0.026 0.000 1.119 337 R CA 1.127 57.236 56.100 0.014 0.000 0.970 337 R CB -0.464 29.836 30.300 -0.001 0.000 0.864 337 R HN 0.189 nan 8.270 nan 0.000 0.440 338 V N 0.701 120.628 119.914 0.022 0.000 2.358 338 V HA -0.233 3.887 4.120 -0.000 0.000 0.246 338 V C 1.898 178.000 176.094 0.014 0.000 1.047 338 V CA 1.654 63.960 62.300 0.010 0.000 1.035 338 V CB -0.523 31.309 31.823 0.014 0.000 0.658 338 V HN 0.220 nan 8.190 nan 0.000 0.452 339 F N 1.413 121.307 119.950 -0.093 0.000 2.126 339 F HA -0.236 4.291 4.527 -0.000 0.000 0.299 339 F C 2.424 178.150 175.800 -0.123 0.000 1.096 339 F CA 2.317 60.255 58.000 -0.104 0.000 1.255 339 F CB -0.452 38.484 39.000 -0.107 0.000 0.997 339 F HN 0.107 nan 8.300 nan 0.000 0.479 340 T N 0.053 114.702 114.554 0.158 0.000 2.788 340 T HA -0.183 4.167 4.350 -0.000 0.000 0.268 340 T C 1.670 176.349 174.700 -0.035 0.000 1.044 340 T CA 1.723 63.909 62.100 0.143 0.000 1.139 340 T CB -0.320 68.701 68.868 0.255 0.000 0.867 340 T HN 0.392 nan 8.240 nan 0.000 0.454 341 E N 1.049 121.209 120.200 -0.067 0.000 2.077 341 E HA -0.080 4.269 4.350 -0.000 0.000 0.193 341 E C 2.531 178.985 176.600 -0.244 0.000 0.989 341 E CA 1.049 57.382 56.400 -0.112 0.000 0.800 341 E CB -0.217 29.433 29.700 -0.083 0.000 0.746 341 E HN 0.479 nan 8.360 nan 0.000 0.452 342 A N 1.175 123.781 122.820 -0.357 0.000 1.877 342 A HA -0.187 4.133 4.320 -0.000 0.000 0.216 342 A C 2.159 179.190 177.584 -0.922 0.000 1.186 342 A CA 1.283 52.922 52.037 -0.663 0.000 0.620 342 A CB -0.332 18.322 19.000 -0.578 0.000 0.822 342 A HN 0.114 nan 8.150 nan 0.000 0.443 343 M N -0.152 119.072 119.600 -0.627 0.000 2.149 343 M HA -0.124 4.355 4.480 -0.000 0.000 0.261 343 M C 2.169 178.366 176.300 -0.172 0.000 1.064 343 M CA 2.063 57.138 55.300 -0.375 0.000 1.102 343 M CB -1.978 30.376 32.600 -0.410 0.000 1.369 343 M HN 0.458 nan 8.290 nan 0.000 0.408 344 T N 0.088 114.553 114.554 -0.149 0.000 2.746 344 T HA -0.112 4.238 4.350 -0.000 0.000 0.267 344 T C 1.998 176.637 174.700 -0.101 0.000 1.039 344 T CA 1.114 63.174 62.100 -0.067 0.000 1.142 344 T CB -0.165 68.675 68.868 -0.047 0.000 0.866 344 T HN 0.385 nan 8.240 nan 0.000 0.444 345 R N 0.094 120.463 120.500 -0.219 0.000 2.096 345 R HA -0.022 4.317 4.340 -0.000 0.000 0.235 345 R C 1.958 178.231 176.300 -0.045 0.000 1.127 345 R CA 1.241 57.238 56.100 -0.171 0.000 0.968 345 R CB -0.383 29.759 30.300 -0.263 0.000 0.861 345 R HN 0.567 nan 8.270 nan 0.000 0.440 346 Y N 0.268 120.518 120.300 -0.083 0.000 2.632 346 Y HA -0.025 4.525 4.550 -0.000 0.000 0.301 346 Y C 0.752 176.608 175.900 -0.073 0.000 1.172 346 Y CA -0.238 57.799 58.100 -0.105 0.000 1.328 346 Y CB 0.231 38.656 38.460 -0.058 0.000 1.016 346 Y HN 0.014 nan 8.280 nan 0.000 0.529 347 S N 0.600 116.347 115.700 0.078 0.000 3.926 347 S HA -0.092 4.377 4.470 -0.000 0.000 0.478 347 S C -0.289 174.345 174.600 0.056 0.000 0.830 347 S CA 0.249 58.482 58.200 0.056 0.000 1.318 347 S CB -1.315 61.906 63.200 0.035 0.000 0.848 347 S HN 0.712 nan 8.310 nan 0.000 0.628 348 A N 2.789 125.657 122.820 0.080 0.000 3.306 348 A HA 0.519 4.839 4.320 -0.000 0.000 0.236 348 A C -2.495 175.218 177.584 0.215 0.000 1.182 348 A CA -0.326 51.792 52.037 0.136 0.000 1.024 348 A CB 0.794 19.906 19.000 0.186 0.000 1.384 348 A HN 0.462 nan 8.150 nan 0.000 0.751 349 P HA 0.346 nan 4.420 nan 0.000 0.272 349 P C -2.880 174.482 177.300 0.103 0.000 1.230 349 P CA -1.035 62.132 63.100 0.112 0.000 0.788 349 P CB 0.545 32.243 31.700 -0.003 0.000 0.949 350 P HA 0.093 nan 4.420 nan 0.000 0.281 350 P C 0.835 178.065 177.300 -0.117 0.000 1.249 350 P CA 0.041 63.028 63.100 -0.188 0.000 0.810 350 P CB 0.850 32.395 31.700 -0.260 0.000 1.008 351 G N 2.297 111.021 108.800 -0.126 0.000 2.547 351 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.214 351 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.214 351 G C -0.008 174.844 174.900 -0.080 0.000 1.254 351 G CA 0.417 45.470 45.100 -0.079 0.000 0.817 351 G HN 0.500 nan 8.290 nan 0.000 0.551 352 D N 1.336 121.682 120.400 -0.090 0.000 2.193 352 D HA 0.392 5.031 4.640 -0.000 0.000 0.244 352 D C -2.489 173.762 176.300 -0.083 0.000 1.064 352 D CA -1.181 52.779 54.000 -0.067 0.000 0.845 352 D CB 1.670 42.441 40.800 -0.049 0.000 1.148 352 D HN -0.019 nan 8.370 nan 0.000 0.464 353 P HA 0.093 nan 4.420 nan 0.000 0.266 353 P C -2.299 174.993 177.300 -0.013 0.000 1.195 353 P CA -0.744 62.341 63.100 -0.024 0.000 0.768 353 P CB -0.118 31.577 31.700 -0.007 0.000 0.838 354 P HA 0.079 nan 4.420 nan 0.000 0.271 354 P C -0.889 176.393 177.300 -0.029 0.000 1.218 354 P CA 0.107 63.239 63.100 0.054 0.000 0.780 354 P CB 0.711 32.509 31.700 0.163 0.000 0.901 355 Q N 1.755 121.552 119.800 -0.005 0.000 2.323 355 Q HA 0.430 4.770 4.340 -0.000 0.000 0.271 355 Q C -2.522 173.453 176.000 -0.042 0.000 1.048 355 Q CA -2.137 53.645 55.803 -0.034 0.000 0.792 355 Q CB 1.678 30.413 28.738 -0.005 0.000 1.280 355 Q HN 0.321 nan 8.270 nan 0.000 0.441 356 P HA 0.108 nan 4.420 nan 0.000 0.271 356 P C -0.491 176.631 177.300 -0.297 0.000 1.220 356 P CA 0.132 63.111 63.100 -0.201 0.000 0.768 356 P CB 0.828 32.400 31.700 -0.215 0.000 0.848 357 E N 2.111 122.115 120.200 -0.327 0.000 2.238 357 E HA 0.215 4.565 4.350 -0.000 0.000 0.267 357 E C -0.426 175.967 176.600 -0.344 0.000 0.887 357 E CA -0.408 55.848 56.400 -0.241 0.000 0.769 357 E CB 1.429 31.093 29.700 -0.059 0.000 1.187 357 E HN 0.459 nan 8.360 nan 0.000 0.416 358 Y N -0.135 120.292 120.300 0.212 0.000 2.531 358 Y HA 0.150 4.700 4.550 -0.000 0.000 0.249 358 Y C 0.357 176.486 175.900 0.383 0.000 1.168 358 Y CA -0.377 57.905 58.100 0.304 0.000 1.226 358 Y CB 1.020 39.575 38.460 0.159 0.000 1.177 358 Y HN 0.243 nan 8.280 nan 0.000 0.527 359 D N 0.380 120.925 120.400 0.241 0.000 2.505 359 D HA 0.101 4.741 4.640 -0.000 0.000 0.250 359 D C 0.668 176.733 176.300 -0.391 0.000 1.164 359 D CA -0.395 53.610 54.000 0.009 0.000 0.870 359 D CB 1.606 42.419 40.800 0.021 0.000 1.160 359 D HN 0.086 nan 8.370 nan 0.000 0.549 360 L N 4.342 124.944 121.223 -1.035 0.000 2.051 360 L HA -0.133 4.207 4.340 -0.000 0.000 0.214 360 L C 1.805 178.335 176.870 -0.567 0.000 1.076 360 L CA 2.145 56.241 54.840 -1.239 0.000 0.758 360 L CB -0.492 40.597 42.059 -1.617 0.000 0.890 360 L HN 0.692 nan 8.230 nan 0.000 0.433 361 E N -1.155 118.816 120.200 -0.382 0.000 2.265 361 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 361 E C 1.561 178.063 176.600 -0.163 0.000 0.996 361 E CA 0.713 56.978 56.400 -0.225 0.000 0.832 361 E CB -0.011 29.601 29.700 -0.146 0.000 0.756 361 E HN 0.463 nan 8.360 nan 0.000 0.491 362 L N 0.838 121.967 121.223 -0.157 0.000 2.611 362 L HA 0.235 4.574 4.340 -0.000 0.000 0.229 362 L C 0.230 177.045 176.870 -0.092 0.000 1.137 362 L CA 0.415 55.199 54.840 -0.094 0.000 0.901 362 L CB 0.186 42.213 42.059 -0.053 0.000 1.098 362 L HN 0.105 nan 8.230 nan 0.000 0.456 363 I N -0.496 119.993 120.570 -0.136 0.000 2.331 363 I HA 0.167 4.337 4.170 -0.000 0.000 0.292 363 I C 0.038 176.106 176.117 -0.082 0.000 0.998 363 I CA -0.051 61.186 61.300 -0.105 0.000 1.267 363 I CB 1.166 39.083 38.000 -0.139 0.000 1.386 363 I HN -0.079 nan 8.210 nan 0.000 0.476 364 T N 4.972 119.498 114.554 -0.046 0.000 2.756 364 T HA 0.392 4.742 4.350 -0.000 0.000 0.290 364 T C -0.211 174.480 174.700 -0.016 0.000 0.985 364 T CA -0.576 61.509 62.100 -0.026 0.000 0.955 364 T CB 0.747 69.608 68.868 -0.013 0.000 0.930 364 T HN 0.708 nan 8.240 nan 0.000 0.451 365 S N 1.335 117.027 115.700 -0.014 0.000 2.571 365 S HA 0.443 4.913 4.470 -0.000 0.000 0.284 365 S C 0.224 174.826 174.600 0.005 0.000 1.128 365 S CA -0.786 57.406 58.200 -0.014 0.000 0.970 365 S CB 0.885 64.062 63.200 -0.038 0.000 1.039 365 S HN 0.902 nan 8.310 nan 0.000 0.485 366 C N 2.709 122.013 119.300 0.007 0.000 4.454 366 C HA -0.189 4.271 4.460 -0.000 0.000 0.301 366 C C 1.195 176.236 174.990 0.086 0.000 1.366 366 C CA 0.879 59.911 59.018 0.024 0.000 2.016 366 C CB -3.076 24.655 27.740 -0.015 0.000 1.253 366 C HN 1.879 nan 8.230 nan 0.000 0.770 367 S N -0.667 115.079 115.700 0.077 0.000 3.445 367 S HA -0.198 4.272 4.470 -0.000 0.000 0.319 367 S C 0.181 174.854 174.600 0.123 0.000 1.209 367 S CA 1.269 59.526 58.200 0.094 0.000 0.934 367 S CB -0.965 62.309 63.200 0.124 0.000 0.999 367 S HN 1.147 nan 8.310 nan 0.000 0.582 368 S N 1.592 117.361 115.700 0.114 0.000 2.595 368 S HA 0.726 5.196 4.470 -0.000 0.000 0.281 368 S C -0.521 174.110 174.600 0.051 0.000 1.117 368 S CA -1.018 57.268 58.200 0.143 0.000 0.873 368 S CB 1.806 65.159 63.200 0.255 0.000 1.108 368 S HN 0.571 nan 8.310 nan 0.000 0.477 369 N N -0.309 118.408 118.700 0.029 0.000 2.235 369 N HA 0.442 5.182 4.740 -0.000 0.000 0.293 369 N C -1.299 174.153 175.510 -0.097 0.000 1.083 369 N CA -0.566 52.453 53.050 -0.050 0.000 0.801 369 N CB 1.304 39.751 38.487 -0.066 0.000 1.559 369 N HN 0.322 nan 8.380 nan 0.000 0.472 370 V N 0.804 120.627 119.914 -0.152 0.000 2.715 370 V HA 0.317 4.437 4.120 -0.000 0.000 0.299 370 V C 0.597 176.547 176.094 -0.240 0.000 1.054 370 V CA 0.154 62.336 62.300 -0.197 0.000 1.077 370 V CB 0.952 32.650 31.823 -0.208 0.000 0.972 370 V HN 0.874 nan 8.190 nan 0.000 0.484 371 S N 2.663 118.132 115.700 -0.386 0.000 2.685 371 S HA 0.783 5.253 4.470 -0.000 0.000 0.282 371 S C -1.355 173.044 174.600 -0.335 0.000 1.159 371 S CA -0.456 57.518 58.200 -0.378 0.000 0.833 371 S CB 2.050 64.968 63.200 -0.470 0.000 1.151 371 S HN 0.670 nan 8.310 nan 0.000 0.485 372 V N 1.090 120.909 119.914 -0.160 0.000 2.876 372 V HA 0.995 5.114 4.120 -0.000 0.000 0.312 372 V C -0.311 175.701 176.094 -0.136 0.000 1.085 372 V CA 0.292 62.468 62.300 -0.206 0.000 0.945 372 V CB 1.318 32.907 31.823 -0.390 0.000 1.017 372 V HN 1.340 nan 8.190 nan 0.000 0.428 373 A N 4.524 127.140 122.820 -0.341 0.000 2.535 373 A HA 0.896 5.216 4.320 -0.000 0.000 0.296 373 A C -1.391 175.686 177.584 -0.844 0.000 1.248 373 A CA -0.596 51.107 52.037 -0.556 0.000 0.686 373 A CB 1.804 20.371 19.000 -0.722 0.000 1.315 373 A HN 0.929 nan 8.150 nan 0.000 0.460 374 H N 0.424 119.198 119.070 -0.494 0.000 2.637 374 H HA 0.395 4.951 4.556 -0.000 0.000 0.363 374 H C -1.100 174.041 175.328 -0.313 0.000 1.131 374 H CA -0.373 55.424 56.048 -0.418 0.000 1.183 374 H CB 1.892 31.361 29.762 -0.487 0.000 1.637 374 H HN 0.914 nan 8.280 nan 0.000 0.531 375 D N 0.630 121.031 120.400 0.001 0.000 2.478 375 D HA 0.158 4.798 4.640 -0.000 0.000 0.269 375 D C 1.318 177.781 176.300 0.272 0.000 1.232 375 D CA -0.369 53.693 54.000 0.103 0.000 1.059 375 D CB 0.374 41.199 40.800 0.042 0.000 1.104 375 D HN 0.459 nan 8.370 nan 0.000 0.566 376 A N -0.126 122.797 122.820 0.171 0.000 1.997 376 A HA -0.196 4.124 4.320 -0.000 0.000 0.221 376 A C 1.990 179.636 177.584 0.104 0.000 1.172 376 A CA 2.687 54.785 52.037 0.101 0.000 0.645 376 A CB -1.094 17.929 19.000 0.037 0.000 0.813 376 A HN 0.656 nan 8.150 nan 0.000 0.454 377 S N -2.456 113.303 115.700 0.098 0.000 2.575 377 S HA 0.399 4.869 4.470 -0.000 0.000 0.215 377 S C 1.374 176.020 174.600 0.077 0.000 0.966 377 S CA 1.016 59.258 58.200 0.069 0.000 0.911 377 S CB -0.143 63.086 63.200 0.048 0.000 0.780 377 S HN 1.963 nan 8.310 nan 0.000 0.514 378 G N 1.254 110.128 108.800 0.122 0.000 2.176 378 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.253 378 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.253 378 G C -0.005 174.971 174.900 0.127 0.000 0.979 378 G CA 0.223 45.365 45.100 0.070 0.000 0.641 378 G HN 0.714 nan 8.290 nan 0.000 0.530 379 K N 1.053 121.513 120.400 0.100 0.000 2.448 379 K HA 0.328 4.648 4.320 -0.000 0.000 0.278 379 K C 0.855 177.470 176.600 0.024 0.000 1.009 379 K CA -0.466 55.862 56.287 0.068 0.000 0.995 379 K CB 0.226 32.744 32.500 0.030 0.000 0.917 379 K HN 0.348 nan 8.250 nan 0.000 0.481 380 R N 2.007 122.480 120.500 -0.045 0.000 2.489 380 R HA 0.136 4.476 4.340 -0.000 0.000 0.287 380 R C -0.756 175.330 176.300 -0.357 0.000 1.053 380 R CA -0.275 55.625 56.100 -0.333 0.000 1.036 380 R CB 0.751 30.867 30.300 -0.306 0.000 0.966 380 R HN 0.258 nan 8.270 nan 0.000 0.432 381 V N 4.640 124.260 119.914 -0.490 0.000 2.577 381 V HA 0.257 4.377 4.120 -0.000 0.000 0.303 381 V C -1.007 174.897 176.094 -0.316 0.000 1.042 381 V CA -0.934 61.187 62.300 -0.299 0.000 0.872 381 V CB 1.325 33.039 31.823 -0.181 0.000 0.998 381 V HN 0.597 nan 8.190 nan 0.000 0.423 382 Y N 5.021 125.309 120.300 -0.020 0.000 2.310 382 Y HA 0.710 5.260 4.550 -0.000 0.000 0.326 382 Y C -0.006 175.946 175.900 0.087 0.000 1.151 382 Y CA -0.278 57.810 58.100 -0.021 0.000 1.195 382 Y CB 1.436 39.846 38.460 -0.083 0.000 1.210 382 Y HN 0.749 nan 8.280 nan 0.000 0.483 383 Y N -0.625 119.730 120.300 0.090 0.000 2.638 383 Y HA 0.712 5.262 4.550 -0.000 0.000 0.335 383 Y C -2.179 173.779 175.900 0.096 0.000 1.155 383 Y CA -2.030 56.112 58.100 0.069 0.000 1.046 383 Y CB 0.754 39.230 38.460 0.025 0.000 1.303 383 Y HN 0.420 nan 8.280 nan 0.000 0.460 384 L N 2.392 123.703 121.223 0.145 0.000 2.307 384 L HA 0.737 5.077 4.340 -0.000 0.000 0.282 384 L C 0.247 177.338 176.870 0.368 0.000 1.051 384 L CA -0.360 54.559 54.840 0.132 0.000 0.804 384 L CB 1.795 43.959 42.059 0.175 0.000 1.197 384 L HN 0.996 nan 8.230 nan 0.000 0.431 385 T N 2.325 117.034 114.554 0.259 0.000 2.654 385 T HA 0.817 5.167 4.350 -0.000 0.000 0.289 385 T C -1.453 173.338 174.700 0.153 0.000 1.062 385 T CA -0.650 61.646 62.100 0.326 0.000 1.041 385 T CB 1.689 70.763 68.868 0.342 0.000 1.417 385 T HN 0.815 nan 8.240 nan 0.000 0.510 386 R N 0.419 120.952 120.500 0.055 0.000 2.774 386 R HA 0.386 4.726 4.340 -0.000 0.000 0.279 386 R C -1.687 174.452 176.300 -0.269 0.000 1.022 386 R CA -0.973 55.065 56.100 -0.103 0.000 0.855 386 R CB 0.235 30.435 30.300 -0.167 0.000 1.279 386 R HN 0.556 nan 8.270 nan 0.000 0.485 387 D N 2.177 122.422 120.400 -0.258 0.000 2.450 387 D HA 0.047 4.686 4.640 -0.000 0.000 0.247 387 D C -1.369 174.583 176.300 -0.579 0.000 1.162 387 D CA -1.146 52.654 54.000 -0.334 0.000 0.879 387 D CB 1.236 41.918 40.800 -0.196 0.000 1.163 387 D HN 0.364 nan 8.370 nan 0.000 0.472 388 P HA 0.012 nan 4.420 nan 0.000 0.253 388 P C 1.062 178.027 177.300 -0.558 0.000 1.260 388 P CA 0.052 62.463 63.100 -1.148 0.000 0.800 388 P CB 0.334 31.102 31.700 -1.554 0.000 1.162 389 T N 0.016 114.364 114.554 -0.344 0.000 2.622 389 T HA -0.135 4.215 4.350 -0.000 0.000 0.266 389 T C 1.787 176.413 174.700 -0.123 0.000 1.047 389 T CA 2.426 64.419 62.100 -0.178 0.000 1.159 389 T CB -1.141 67.667 68.868 -0.099 0.000 0.863 389 T HN 0.197 nan 8.240 nan 0.000 0.422 390 T N 2.302 116.795 114.554 -0.101 0.000 2.708 390 T HA -0.063 4.287 4.350 -0.000 0.000 0.266 390 T C -0.554 174.102 174.700 -0.075 0.000 1.037 390 T CA 1.279 63.343 62.100 -0.059 0.000 1.146 390 T CB -1.230 67.641 68.868 0.005 0.000 0.865 390 T HN 0.332 nan 8.240 nan 0.000 0.435 391 P HA -0.005 nan 4.420 nan 0.000 0.215 391 P C 1.530 178.869 177.300 0.064 0.000 1.153 391 P CA 0.927 64.040 63.100 0.022 0.000 0.853 391 P CB -0.177 31.529 31.700 0.010 0.000 0.788 392 L N -1.408 119.801 121.223 -0.024 0.000 2.093 392 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 392 L C 2.456 179.350 176.870 0.039 0.000 1.085 392 L CA 1.421 56.266 54.840 0.008 0.000 0.755 392 L CB -1.134 40.884 42.059 -0.068 0.000 0.904 392 L HN -0.051 nan 8.230 nan 0.000 0.435 393 A N 0.263 123.093 122.820 0.016 0.000 1.902 393 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 393 A C 2.386 180.022 177.584 0.086 0.000 1.181 393 A CA 1.440 53.503 52.037 0.043 0.000 0.623 393 A CB -0.435 18.561 19.000 -0.007 0.000 0.818 393 A HN 0.319 nan 8.150 nan 0.000 0.443 394 R N -0.636 119.891 120.500 0.045 0.000 2.115 394 R HA -0.008 4.332 4.340 -0.000 0.000 0.230 394 R C 2.439 178.897 176.300 0.263 0.000 1.111 394 R CA 1.017 57.168 56.100 0.085 0.000 0.976 394 R CB -0.403 29.894 30.300 -0.005 0.000 0.870 394 R HN 0.514 nan 8.270 nan 0.000 0.445 395 A N 1.349 124.341 122.820 0.287 0.000 1.898 395 A HA -0.084 4.236 4.320 -0.000 0.000 0.216 395 A C 2.364 180.161 177.584 0.356 0.000 1.181 395 A CA 1.602 53.913 52.037 0.457 0.000 0.620 395 A CB -0.527 18.750 19.000 0.462 0.000 0.819 395 A HN 0.372 nan 8.150 nan 0.000 0.442 396 A N -1.283 121.658 122.820 0.201 0.000 1.898 396 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 396 A C 2.102 179.812 177.584 0.211 0.000 1.181 396 A CA 1.367 53.488 52.037 0.140 0.000 0.620 396 A CB -0.858 18.206 19.000 0.107 0.000 0.819 396 A HN 0.846 nan 8.150 nan 0.000 0.442 397 W N 1.095 122.440 121.300 0.075 0.000 2.355 397 W HA -0.151 4.509 4.660 -0.000 0.000 0.309 397 W C 1.593 178.163 176.519 0.084 0.000 1.206 397 W CA 1.946 59.325 57.345 0.057 0.000 1.284 397 W CB -0.305 29.170 29.460 0.024 0.000 1.145 397 W HN 0.548 nan 8.180 nan 0.000 0.502 398 E N -0.689 119.769 120.200 0.430 0.000 2.274 398 E HA -0.133 4.217 4.350 -0.000 0.000 0.194 398 E C 2.013 178.776 176.600 0.272 0.000 0.996 398 E CA 1.585 58.208 56.400 0.372 0.000 0.840 398 E CB -0.116 29.876 29.700 0.487 0.000 0.772 398 E HN 0.106 nan 8.360 nan 0.000 0.491 399 T N 0.273 114.975 114.554 0.247 0.000 2.896 399 T HA -0.012 4.338 4.350 -0.000 0.000 0.263 399 T C 1.922 176.642 174.700 0.033 0.000 1.050 399 T CA 1.013 63.215 62.100 0.170 0.000 1.140 399 T CB 0.029 69.011 68.868 0.189 0.000 0.877 399 T HN 0.214 nan 8.240 nan 0.000 0.457 400 A N 1.088 123.877 122.820 -0.051 0.000 1.975 400 A HA 0.205 4.525 4.320 -0.000 0.000 0.215 400 A C 1.292 178.683 177.584 -0.322 0.000 1.170 400 A CA 0.553 52.485 52.037 -0.175 0.000 0.656 400 A CB 0.097 18.965 19.000 -0.220 0.000 0.821 400 A HN 0.290 nan 8.150 nan 0.000 0.449 401 R N 0.462 120.736 120.500 -0.376 0.000 2.599 401 R HA 0.340 4.680 4.340 -0.000 0.000 0.295 401 R C -1.253 174.878 176.300 -0.281 0.000 0.963 401 R CA -0.790 55.011 56.100 -0.499 0.000 0.883 401 R CB 0.874 30.819 30.300 -0.591 0.000 1.171 401 R HN 0.456 nan 8.270 nan 0.000 0.450 402 H N 2.211 121.276 119.070 -0.008 0.000 3.215 402 H HA 0.040 4.596 4.556 -0.000 0.000 0.253 402 H C 0.092 175.458 175.328 0.063 0.000 1.102 402 H CA 0.196 56.266 56.048 0.037 0.000 1.482 402 H CB -0.423 29.349 29.762 0.017 0.000 1.542 402 H HN 0.499 nan 8.280 nan 0.000 0.498 403 T N 0.679 115.341 114.554 0.180 0.000 2.841 403 T HA 0.222 4.572 4.350 -0.000 0.000 0.283 403 T C -1.573 173.201 174.700 0.123 0.000 1.000 403 T CA -1.965 60.237 62.100 0.169 0.000 0.977 403 T CB 2.636 71.651 68.868 0.244 0.000 0.979 403 T HN 0.212 nan 8.240 nan 0.000 0.446 404 P HA 0.065 nan 4.420 nan 0.000 0.234 404 P C 0.035 177.348 177.300 0.023 0.000 1.167 404 P CA 0.066 63.175 63.100 0.015 0.000 0.763 404 P CB -0.008 31.662 31.700 -0.050 0.000 0.835 405 V N 1.840 121.781 119.914 0.046 0.000 2.481 405 V HA 0.259 4.379 4.120 -0.000 0.000 0.286 405 V C 0.523 176.632 176.094 0.024 0.000 1.042 405 V CA -0.460 61.851 62.300 0.018 0.000 0.928 405 V CB 1.147 32.981 31.823 0.018 0.000 0.986 405 V HN 0.054 nan 8.190 nan 0.000 0.462 406 N N 2.398 121.045 118.700 -0.089 0.000 2.813 406 N HA 0.082 4.822 4.740 -0.000 0.000 0.282 406 N C 1.253 176.538 175.510 -0.375 0.000 1.748 406 N CA 0.161 53.053 53.050 -0.263 0.000 0.860 406 N CB 1.537 39.748 38.487 -0.460 0.000 1.204 406 N HN 0.796 nan 8.380 nan 0.000 0.490 407 S N 0.233 115.856 115.700 -0.128 0.000 2.419 407 S HA -0.121 4.349 4.470 -0.000 0.000 0.233 407 S C 1.836 176.405 174.600 -0.052 0.000 1.016 407 S CA 0.248 58.407 58.200 -0.069 0.000 0.974 407 S CB -0.493 62.718 63.200 0.018 0.000 0.786 407 S HN 0.706 nan 8.310 nan 0.000 0.492 408 W N 1.201 122.452 121.300 -0.081 0.000 2.350 408 W HA -0.037 4.623 4.660 -0.000 0.000 0.289 408 W C 1.663 178.093 176.519 -0.148 0.000 1.215 408 W CA 0.520 57.778 57.345 -0.144 0.000 1.236 408 W CB -0.998 28.135 29.460 -0.545 0.000 1.130 408 W HN 0.378 nan 8.180 nan 0.000 0.541 409 L N 2.794 123.411 121.223 -1.010 0.000 2.072 409 L HA 0.210 4.550 4.340 -0.000 0.000 0.205 409 L C 2.675 179.355 176.870 -0.316 0.000 1.079 409 L CA 2.679 56.997 54.840 -0.870 0.000 0.752 409 L CB -1.358 39.946 42.059 -1.258 0.000 0.906 409 L HN 0.033 nan 8.230 nan 0.000 0.436 410 G N -0.461 108.179 108.800 -0.266 0.000 2.442 410 G HA2 -0.317 3.643 3.960 -0.000 0.000 0.219 410 G HA3 -0.317 3.643 3.960 -0.000 0.000 0.219 410 G C 1.484 176.397 174.900 0.022 0.000 1.141 410 G CA 0.851 45.886 45.100 -0.109 0.000 0.763 410 G HN 0.439 nan 8.290 nan 0.000 0.554 411 N N 0.531 119.297 118.700 0.110 0.000 2.142 411 N HA -0.010 4.729 4.740 -0.000 0.000 0.186 411 N C 2.281 177.920 175.510 0.214 0.000 1.023 411 N CA 0.700 53.926 53.050 0.293 0.000 0.852 411 N CB -0.185 38.552 38.487 0.418 0.000 0.998 411 N HN 0.336 nan 8.380 nan 0.000 0.424 412 I N 0.979 121.645 120.570 0.159 0.000 2.226 412 I HA -0.213 3.956 4.170 -0.000 0.000 0.245 412 I C 2.054 178.219 176.117 0.079 0.000 1.100 412 I CA 0.830 62.203 61.300 0.122 0.000 1.374 412 I CB -0.144 37.990 38.000 0.223 0.000 1.057 412 I HN 0.055 nan 8.210 nan 0.000 0.413 413 I N 0.027 120.652 120.570 0.092 0.000 2.163 413 I HA -0.292 3.878 4.170 -0.000 0.000 0.240 413 I C 2.469 178.701 176.117 0.190 0.000 1.081 413 I CA 1.286 62.671 61.300 0.141 0.000 1.353 413 I CB -0.208 37.870 38.000 0.129 0.000 1.054 413 I HN 0.220 nan 8.210 nan 0.000 0.407 414 M N -0.865 118.772 119.600 0.061 0.000 2.288 414 M HA -0.083 4.397 4.480 -0.000 0.000 0.266 414 M C 1.093 177.268 176.300 -0.209 0.000 1.072 414 M CA 1.591 56.843 55.300 -0.080 0.000 1.132 414 M CB -0.750 31.691 32.600 -0.265 0.000 1.386 414 M HN 0.215 nan 8.290 nan 0.000 0.432 415 Y N -0.545 119.761 120.300 0.010 0.000 2.751 415 Y HA 0.431 4.981 4.550 -0.000 0.000 0.289 415 Y C 1.813 177.452 175.900 -0.435 0.000 1.110 415 Y CA -0.369 57.617 58.100 -0.191 0.000 1.251 415 Y CB -0.350 37.919 38.460 -0.319 0.000 1.178 415 Y HN 0.168 nan 8.280 nan 0.000 0.540 416 A N 0.969 123.573 122.820 -0.360 0.000 1.948 416 A HA -0.159 4.161 4.320 -0.000 0.000 0.220 416 A C -0.544 176.728 177.584 -0.519 0.000 1.177 416 A CA 1.563 53.331 52.037 -0.447 0.000 0.636 416 A CB -1.295 17.424 19.000 -0.469 0.000 0.815 416 A HN 0.295 nan 8.150 nan 0.000 0.449 417 P HA 0.012 nan 4.420 nan 0.000 0.229 417 P C 0.739 177.724 177.300 -0.524 0.000 1.160 417 P CA 1.216 64.005 63.100 -0.518 0.000 0.777 417 P CB -0.385 31.034 31.700 -0.468 0.000 0.814 418 T N -1.373 112.882 114.554 -0.498 0.000 2.926 418 T HA 0.092 4.442 4.350 -0.000 0.000 0.307 418 T C 1.292 175.585 174.700 -0.679 0.000 1.059 418 T CA -0.439 61.323 62.100 -0.563 0.000 1.122 418 T CB 0.420 68.728 68.868 -0.933 0.000 0.972 418 T HN -0.048 nan 8.240 nan 0.000 0.545 419 L N 1.007 121.755 121.223 -0.792 0.000 2.156 419 L HA 0.146 4.486 4.340 -0.000 0.000 0.208 419 L C 2.426 178.997 176.870 -0.498 0.000 1.095 419 L CA 0.692 55.043 54.840 -0.814 0.000 0.770 419 L CB -1.307 40.078 42.059 -1.124 0.000 0.914 419 L HN 0.878 nan 8.230 nan 0.000 0.439 420 W N 0.483 121.564 121.300 -0.365 0.000 2.418 420 W HA 0.150 4.810 4.660 -0.000 0.000 0.292 420 W C 2.089 178.465 176.519 -0.238 0.000 1.213 420 W CA 0.669 57.838 57.345 -0.293 0.000 1.283 420 W CB -1.131 28.192 29.460 -0.227 0.000 1.119 420 W HN 0.291 nan 8.180 nan 0.000 0.542 421 A N 1.758 124.210 122.820 -0.612 0.000 1.929 421 A HA -0.077 4.243 4.320 -0.000 0.000 0.216 421 A C 2.254 179.702 177.584 -0.225 0.000 1.176 421 A CA 1.399 53.190 52.037 -0.410 0.000 0.628 421 A CB -0.671 17.934 19.000 -0.659 0.000 0.816 421 A HN 0.285 nan 8.150 nan 0.000 0.444 422 R N -0.977 119.304 120.500 -0.364 0.000 2.062 422 R HA 0.061 4.401 4.340 -0.000 0.000 0.229 422 R C 2.181 178.292 176.300 -0.315 0.000 1.128 422 R CA 1.696 57.591 56.100 -0.343 0.000 0.960 422 R CB -0.333 29.628 30.300 -0.566 0.000 0.855 422 R HN 0.498 nan 8.270 nan 0.000 0.432 423 M N -0.298 118.984 119.600 -0.530 0.000 2.334 423 M HA 0.017 4.496 4.480 -0.000 0.000 0.266 423 M C 1.886 178.115 176.300 -0.117 0.000 1.082 423 M CA 1.360 56.420 55.300 -0.399 0.000 1.141 423 M CB 0.182 32.461 32.600 -0.536 0.000 1.380 423 M HN 0.112 nan 8.290 nan 0.000 0.440 424 I N -0.683 119.679 120.570 -0.347 0.000 2.962 424 I HA -0.090 4.080 4.170 -0.000 0.000 0.246 424 I C 2.095 178.029 176.117 -0.304 0.000 1.091 424 I CA 0.371 61.218 61.300 -0.755 0.000 1.469 424 I CB -0.288 37.221 38.000 -0.818 0.000 1.324 424 I HN 0.132 nan 8.210 nan 0.000 0.461 425 L N 0.424 121.646 121.223 -0.001 0.000 1.989 425 L HA -0.234 4.106 4.340 -0.000 0.000 0.211 425 L C 2.735 179.886 176.870 0.468 0.000 1.071 425 L CA 1.748 56.773 54.840 0.309 0.000 0.749 425 L CB -0.526 41.767 42.059 0.390 0.000 0.890 425 L HN 0.284 nan 8.230 nan 0.000 0.431 426 M N -0.877 118.975 119.600 0.419 0.000 2.108 426 M HA -0.195 4.284 4.480 -0.000 0.000 0.261 426 M C 2.307 179.108 176.300 0.835 0.000 1.066 426 M CA 2.089 57.764 55.300 0.626 0.000 1.107 426 M CB -0.717 32.096 32.600 0.356 0.000 1.356 426 M HN 0.290 nan 8.290 nan 0.000 0.406 427 T N -1.278 113.719 114.554 0.739 0.000 2.674 427 T HA -0.227 4.123 4.350 -0.000 0.000 0.265 427 T C 1.647 176.648 174.700 0.502 0.000 1.039 427 T CA 1.962 64.489 62.100 0.711 0.000 1.150 427 T CB -0.592 68.738 68.868 0.770 0.000 0.864 427 T HN 0.490 nan 8.240 nan 0.000 0.427 428 H N 0.493 119.736 119.070 0.290 0.000 2.290 428 H HA -0.053 4.503 4.556 -0.000 0.000 0.298 428 H C 1.836 177.032 175.328 -0.220 0.000 1.087 428 H CA 1.747 57.823 56.048 0.047 0.000 1.291 428 H CB -0.585 29.050 29.762 -0.212 0.000 1.369 428 H HN 0.407 nan 8.280 nan 0.000 0.492 429 F N -1.151 118.739 119.950 -0.100 0.000 2.206 429 F HA -0.028 4.498 4.527 -0.000 0.000 0.298 429 F C 2.004 177.633 175.800 -0.285 0.000 1.090 429 F CA 0.623 58.357 58.000 -0.443 0.000 1.323 429 F CB -0.395 38.078 39.000 -0.879 0.000 1.028 429 F HN 0.133 nan 8.300 nan 0.000 0.492 430 F N -0.641 119.424 119.950 0.192 0.000 2.293 430 F HA -0.182 4.345 4.527 -0.000 0.000 0.300 430 F C 2.667 178.499 175.800 0.053 0.000 1.086 430 F CA 1.316 59.425 58.000 0.182 0.000 1.375 430 F CB -0.652 38.539 39.000 0.318 0.000 1.045 430 F HN -0.093 nan 8.300 nan 0.000 0.516 431 S N 0.341 116.122 115.700 0.135 0.000 2.368 431 S HA -0.138 4.331 4.470 -0.000 0.000 0.224 431 S C 2.096 176.666 174.600 -0.050 0.000 1.029 431 S CA 1.204 59.416 58.200 0.020 0.000 0.988 431 S CB -0.364 62.831 63.200 -0.008 0.000 0.838 431 S HN 0.331 nan 8.310 nan 0.000 0.462 432 I N 1.204 121.685 120.570 -0.149 0.000 2.252 432 I HA -0.136 4.034 4.170 -0.000 0.000 0.245 432 I C 2.162 178.241 176.117 -0.064 0.000 1.102 432 I CA 0.977 62.181 61.300 -0.160 0.000 1.385 432 I CB -0.331 37.490 38.000 -0.299 0.000 1.064 432 I HN 0.303 nan 8.210 nan 0.000 0.414 433 L N 0.202 121.399 121.223 -0.043 0.000 2.083 433 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 433 L C 2.523 179.420 176.870 0.045 0.000 1.083 433 L CA 1.254 56.098 54.840 0.005 0.000 0.752 433 L CB -0.473 41.570 42.059 -0.025 0.000 0.899 433 L HN 0.288 nan 8.230 nan 0.000 0.433 434 L N -0.406 120.855 121.223 0.062 0.000 2.027 434 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 434 L C 2.882 179.768 176.870 0.027 0.000 1.074 434 L CA 1.229 56.105 54.840 0.062 0.000 0.745 434 L CB -0.671 41.425 42.059 0.062 0.000 0.898 434 L HN 0.216 nan 8.230 nan 0.000 0.433 435 A N -0.598 122.225 122.820 0.005 0.000 1.972 435 A HA -0.225 4.095 4.320 -0.000 0.000 0.219 435 A C 2.080 179.664 177.584 0.001 0.000 1.169 435 A CA 1.522 53.556 52.037 -0.006 0.000 0.635 435 A CB -0.350 18.636 19.000 -0.024 0.000 0.810 435 A HN 0.557 nan 8.150 nan 0.000 0.446 436 Q N -1.144 118.660 119.800 0.007 0.000 2.319 436 Q HA 0.087 4.427 4.340 -0.000 0.000 0.202 436 Q C -0.579 175.435 176.000 0.024 0.000 0.896 436 Q CA -0.004 55.807 55.803 0.014 0.000 0.942 436 Q CB 0.461 29.209 28.738 0.017 0.000 1.083 436 Q HN 0.496 nan 8.270 nan 0.000 0.510 437 E N 0.685 120.903 120.200 0.030 0.000 2.320 437 E HA -0.237 4.112 4.350 -0.000 0.000 0.234 437 E C -0.422 176.206 176.600 0.046 0.000 1.183 437 E CA 0.751 57.174 56.400 0.039 0.000 0.713 437 E CB -1.324 28.395 29.700 0.030 0.000 1.226 437 E HN 0.588 nan 8.360 nan 0.000 0.382 438 Q N -0.512 119.320 119.800 0.054 0.000 2.157 438 Q HA 0.261 4.601 4.340 -0.000 0.000 0.229 438 Q C 1.916 177.962 176.000 0.077 0.000 0.827 438 Q CA -0.242 55.598 55.803 0.062 0.000 1.055 438 Q CB 0.445 29.222 28.738 0.064 0.000 1.157 438 Q HN 0.314 nan 8.270 nan 0.000 0.482 439 L N 0.085 121.362 121.223 0.089 0.000 2.131 439 L HA -0.190 4.149 4.340 -0.000 0.000 0.210 439 L C 1.189 178.128 176.870 0.116 0.000 1.092 439 L CA 1.291 56.204 54.840 0.121 0.000 0.759 439 L CB 0.090 42.245 42.059 0.161 0.000 0.903 439 L HN 0.221 nan 8.230 nan 0.000 0.435 440 E N -0.618 119.638 120.200 0.093 0.000 2.479 440 E HA 0.017 4.367 4.350 -0.000 0.000 0.193 440 E C 0.414 177.059 176.600 0.074 0.000 1.049 440 E CA 0.060 56.510 56.400 0.082 0.000 0.870 440 E CB 0.172 29.913 29.700 0.068 0.000 0.944 440 E HN 0.123 nan 8.360 nan 0.000 0.492 441 K N 1.459 121.904 120.400 0.076 0.000 2.349 441 K HA 0.348 4.668 4.320 -0.000 0.000 0.289 441 K C -0.475 176.169 176.600 0.073 0.000 1.064 441 K CA -0.291 56.039 56.287 0.072 0.000 0.947 441 K CB 0.530 33.075 32.500 0.075 0.000 1.007 441 K HN 0.031 nan 8.250 nan 0.000 0.478 442 A N 5.319 128.178 122.820 0.065 0.000 2.440 442 A HA 0.355 4.674 4.320 -0.000 0.000 0.251 442 A C -0.524 177.088 177.584 0.048 0.000 1.089 442 A CA -0.337 51.735 52.037 0.058 0.000 0.779 442 A CB 0.174 19.212 19.000 0.062 0.000 1.022 442 A HN 0.763 nan 8.150 nan 0.000 0.492 443 L N 2.066 123.297 121.223 0.014 0.000 2.362 443 L HA 0.380 4.720 4.340 -0.000 0.000 0.271 443 L C -0.824 176.019 176.870 -0.045 0.000 1.002 443 L CA -1.048 53.781 54.840 -0.018 0.000 0.818 443 L CB 2.003 44.015 42.059 -0.078 0.000 1.298 443 L HN 0.579 nan 8.230 nan 0.000 0.420 444 D N 1.549 121.936 120.400 -0.022 0.000 2.302 444 D HA 0.431 5.071 4.640 -0.000 0.000 0.248 444 D C -0.460 175.783 176.300 -0.095 0.000 1.094 444 D CA 0.055 54.044 54.000 -0.017 0.000 0.897 444 D CB 1.690 42.520 40.800 0.050 0.000 1.200 444 D HN 0.605 nan 8.370 nan 0.000 0.429 445 C N 1.775 121.008 119.300 -0.111 0.000 3.090 445 C HA 0.362 4.822 4.460 -0.000 0.000 0.347 445 C C -1.300 173.615 174.990 -0.125 0.000 1.147 445 C CA -0.924 58.001 59.018 -0.156 0.000 1.305 445 C CB 1.595 29.181 27.740 -0.256 0.000 1.692 445 C HN 0.447 nan 8.230 nan 0.000 0.506 446 Q N 3.208 122.948 119.800 -0.101 0.000 2.286 446 Q HA 0.547 4.887 4.340 -0.000 0.000 0.257 446 Q C -0.431 175.521 176.000 -0.079 0.000 0.941 446 Q CA -0.132 55.634 55.803 -0.062 0.000 0.912 446 Q CB 1.436 30.157 28.738 -0.028 0.000 1.192 446 Q HN 0.738 nan 8.270 nan 0.000 0.410 447 I N 2.917 123.445 120.570 -0.070 0.000 2.468 447 I HA 0.159 4.328 4.170 -0.000 0.000 0.285 447 I C 0.032 176.196 176.117 0.079 0.000 1.039 447 I CA -0.721 60.479 61.300 -0.168 0.000 1.074 447 I CB 0.542 38.120 38.000 -0.704 0.000 1.228 447 I HN 0.774 nan 8.210 nan 0.000 0.436 448 Y N 5.272 125.613 120.300 0.069 0.000 3.491 448 Y HA -0.320 4.230 4.550 -0.000 0.000 0.215 448 Y C 1.602 177.491 175.900 -0.019 0.000 1.219 448 Y CA 0.339 58.495 58.100 0.092 0.000 1.485 448 Y CB -1.041 37.509 38.460 0.150 0.000 1.450 448 Y HN 0.953 nan 8.280 nan 0.000 0.603 449 G N -1.473 107.415 108.800 0.146 0.000 2.253 449 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.251 449 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.251 449 G C 0.162 175.069 174.900 0.011 0.000 0.998 449 G CA -0.019 45.118 45.100 0.062 0.000 0.621 449 G HN 1.345 nan 8.290 nan 0.000 0.524 450 A N -0.549 122.262 122.820 -0.016 0.000 2.304 450 A HA 0.655 4.975 4.320 -0.000 0.000 0.301 450 A C 0.592 177.976 177.584 -0.332 0.000 1.132 450 A CA 0.399 52.244 52.037 -0.320 0.000 0.819 450 A CB 1.084 19.693 19.000 -0.652 0.000 1.094 450 A HN 1.498 nan 8.150 nan 0.000 0.492 451 C N 2.524 121.548 119.300 -0.459 0.000 2.347 451 C HA 0.742 5.201 4.460 -0.000 0.000 0.353 451 C C -0.925 173.654 174.990 -0.686 0.000 1.273 451 C CA -0.382 58.433 59.018 -0.338 0.000 1.861 451 C CB -1.585 26.111 27.740 -0.073 0.000 2.420 451 C HN 0.643 nan 8.230 nan 0.000 0.542 452 Y N 2.533 122.591 120.300 -0.403 0.000 2.562 452 Y HA 0.490 5.039 4.550 -0.000 0.000 0.343 452 Y C 0.399 176.137 175.900 -0.270 0.000 1.025 452 Y CA -0.545 57.294 58.100 -0.435 0.000 1.082 452 Y CB 1.706 39.828 38.460 -0.564 0.000 1.264 452 Y HN 0.540 nan 8.280 nan 0.000 0.478 453 S N 2.748 118.428 115.700 -0.034 0.000 2.448 453 S HA 0.657 5.127 4.470 -0.000 0.000 0.320 453 S C -1.026 173.608 174.600 0.056 0.000 1.071 453 S CA -0.383 57.832 58.200 0.025 0.000 1.113 453 S CB -0.625 62.611 63.200 0.060 0.000 0.972 453 S HN 0.502 nan 8.310 nan 0.000 0.465 454 I N 3.900 124.485 120.570 0.026 0.000 2.474 454 I HA 0.398 4.568 4.170 -0.000 0.000 0.294 454 I C 0.089 176.231 176.117 0.042 0.000 1.005 454 I CA -0.645 60.687 61.300 0.053 0.000 1.113 454 I CB 1.945 39.958 38.000 0.021 0.000 1.289 454 I HN 0.504 nan 8.210 nan 0.000 0.436 455 E N 6.928 127.173 120.200 0.076 0.000 2.167 455 E HA 0.183 4.533 4.350 -0.000 0.000 0.284 455 E C -1.789 174.874 176.600 0.105 0.000 1.016 455 E CA -1.581 54.868 56.400 0.082 0.000 0.817 455 E CB 1.398 31.151 29.700 0.087 0.000 1.080 455 E HN 0.335 nan 8.360 nan 0.000 0.397 456 P HA -0.179 nan 4.420 nan 0.000 0.217 456 P C 1.046 178.523 177.300 0.296 0.000 1.148 456 P CA 1.065 64.261 63.100 0.161 0.000 0.828 456 P CB 0.237 31.987 31.700 0.082 0.000 0.783 457 L N -0.899 120.474 121.223 0.249 0.000 2.353 457 L HA -0.136 4.204 4.340 -0.000 0.000 0.220 457 L C 1.196 178.172 176.870 0.176 0.000 1.133 457 L CA 1.166 56.158 54.840 0.254 0.000 0.798 457 L CB -0.673 41.495 42.059 0.182 0.000 0.922 457 L HN -0.034 nan 8.230 nan 0.000 0.445 458 D N -0.417 120.070 120.400 0.145 0.000 2.340 458 D HA 0.018 4.658 4.640 -0.000 0.000 0.220 458 D C 2.180 178.544 176.300 0.106 0.000 1.039 458 D CA 0.256 54.312 54.000 0.092 0.000 0.866 458 D CB 0.259 41.102 40.800 0.070 0.000 0.913 458 D HN 0.266 nan 8.370 nan 0.000 0.523 459 L N 0.899 122.230 121.223 0.179 0.000 2.013 459 L HA -0.169 4.171 4.340 -0.000 0.000 0.212 459 L C -0.412 176.565 176.870 0.178 0.000 1.073 459 L CA 1.620 56.584 54.840 0.205 0.000 0.753 459 L CB -1.434 40.817 42.059 0.319 0.000 0.890 459 L HN 0.053 nan 8.230 nan 0.000 0.432 460 P HA -0.254 nan 4.420 nan 0.000 0.214 460 P C 1.511 178.870 177.300 0.099 0.000 1.163 460 P CA 1.471 64.605 63.100 0.056 0.000 0.889 460 P CB -0.032 31.523 31.700 -0.241 0.000 0.790 461 Q N -0.399 119.391 119.800 -0.016 0.000 2.061 461 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 461 Q C 2.073 178.064 176.000 -0.014 0.000 0.984 461 Q CA 1.648 57.429 55.803 -0.036 0.000 0.846 461 Q CB -0.652 28.047 28.738 -0.065 0.000 0.902 461 Q HN 0.172 nan 8.270 nan 0.000 0.421 462 I N 0.465 121.032 120.570 -0.005 0.000 2.179 462 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 462 I C 2.295 178.428 176.117 0.025 0.000 1.088 462 I CA 1.114 62.383 61.300 -0.052 0.000 1.357 462 I CB -0.235 37.767 38.000 0.004 0.000 1.051 462 I HN 0.292 nan 8.210 nan 0.000 0.409 463 I N 0.457 121.106 120.570 0.132 0.000 2.226 463 I HA -0.300 3.870 4.170 -0.000 0.000 0.245 463 I C 2.628 178.777 176.117 0.055 0.000 1.100 463 I CA 1.464 62.859 61.300 0.158 0.000 1.374 463 I CB -0.405 37.678 38.000 0.138 0.000 1.057 463 I HN 0.299 nan 8.210 nan 0.000 0.413 464 E N 1.101 121.366 120.200 0.109 0.000 2.085 464 E HA -0.304 4.046 4.350 -0.000 0.000 0.194 464 E C 2.297 178.896 176.600 -0.002 0.000 0.994 464 E CA 1.345 57.789 56.400 0.073 0.000 0.801 464 E CB 0.058 29.864 29.700 0.177 0.000 0.743 464 E HN 0.212 nan 8.360 nan 0.000 0.453 465 R N 0.223 120.705 120.500 -0.030 0.000 2.075 465 R HA -0.034 4.306 4.340 -0.000 0.000 0.232 465 R C 2.331 178.563 176.300 -0.114 0.000 1.126 465 R CA 1.264 57.319 56.100 -0.076 0.000 0.963 465 R CB -0.179 30.047 30.300 -0.123 0.000 0.858 465 R HN 0.239 nan 8.270 nan 0.000 0.435 466 L N -1.216 119.917 121.223 -0.149 0.000 2.179 466 L HA -0.037 4.303 4.340 -0.000 0.000 0.208 466 L C 1.603 178.162 176.870 -0.518 0.000 1.096 466 L CA 0.973 55.610 54.840 -0.338 0.000 0.779 466 L CB -0.355 41.478 42.059 -0.377 0.000 0.922 466 L HN 0.378 nan 8.230 nan 0.000 0.443 467 H N -0.767 118.220 119.070 -0.137 0.000 3.058 467 H HA 0.310 4.866 4.556 -0.000 0.000 0.258 467 H C 0.921 176.163 175.328 -0.143 0.000 1.015 467 H CA 0.724 56.682 56.048 -0.150 0.000 1.210 467 H CB 1.231 30.877 29.762 -0.195 0.000 1.481 467 H HN 0.279 nan 8.280 nan 0.000 0.492 468 G N 1.099 109.880 108.800 -0.032 0.000 2.730 468 G HA2 -0.221 3.738 3.960 -0.000 0.000 0.686 468 G HA3 -0.221 3.738 3.960 -0.000 0.000 0.686 468 G C 0.595 175.442 174.900 -0.089 0.000 1.343 468 G CA -0.196 44.883 45.100 -0.035 0.000 0.826 468 G HN 0.205 nan 8.290 nan 0.000 0.582 469 L N 1.049 122.279 121.223 0.012 0.000 2.187 469 L HA -0.126 4.214 4.340 -0.000 0.000 0.213 469 L C 3.198 180.083 176.870 0.025 0.000 1.100 469 L CA 2.230 57.141 54.840 0.118 0.000 0.765 469 L CB -0.469 41.717 42.059 0.213 0.000 0.904 469 L HN 0.944 nan 8.230 nan 0.000 0.437 470 S N -0.103 115.576 115.700 -0.034 0.000 2.440 470 S HA -0.186 4.283 4.470 -0.000 0.000 0.238 470 S C 2.106 176.621 174.600 -0.141 0.000 1.010 470 S CA 0.827 58.999 58.200 -0.048 0.000 0.972 470 S CB -0.390 62.781 63.200 -0.049 0.000 0.774 470 S HN 0.384 nan 8.310 nan 0.000 0.501 471 A N 0.918 123.549 122.820 -0.315 0.000 2.070 471 A HA 0.133 4.453 4.320 -0.000 0.000 0.220 471 A C 1.660 179.024 177.584 -0.366 0.000 1.159 471 A CA 1.049 52.815 52.037 -0.452 0.000 0.656 471 A CB -0.936 17.672 19.000 -0.653 0.000 0.800 471 A HN 0.678 nan 8.150 nan 0.000 0.453 472 F N -0.880 119.083 119.950 0.022 0.000 2.765 472 F HA 0.125 4.651 4.527 -0.000 0.000 0.302 472 F C 1.512 177.352 175.800 0.067 0.000 1.111 472 F CA 0.482 58.519 58.000 0.062 0.000 1.359 472 F CB 0.492 39.559 39.000 0.112 0.000 1.097 472 F HN 0.079 nan 8.300 nan 0.000 0.577 473 S N -0.044 115.754 115.700 0.163 0.000 2.780 473 S HA 0.296 4.766 4.470 -0.000 0.000 0.248 473 S C 0.374 175.053 174.600 0.133 0.000 1.036 473 S CA -0.350 57.933 58.200 0.138 0.000 1.061 473 S CB 0.193 63.462 63.200 0.114 0.000 1.037 473 S HN 0.039 nan 8.310 nan 0.000 0.584 474 L N 4.632 125.870 121.223 0.026 0.000 2.456 474 L HA 0.304 4.644 4.340 -0.000 0.000 0.272 474 L C 0.658 177.506 176.870 -0.035 0.000 1.189 474 L CA 0.310 55.079 54.840 -0.118 0.000 0.846 474 L CB 0.076 41.901 42.059 -0.391 0.000 1.111 474 L HN 0.498 nan 8.230 nan 0.000 0.475 475 H N -0.051 118.824 119.070 -0.325 0.000 2.918 475 H HA 0.233 4.789 4.556 -0.000 0.000 0.303 475 H C -0.288 174.916 175.328 -0.206 0.000 1.380 475 H CA -1.002 54.942 56.048 -0.174 0.000 1.134 475 H CB 1.288 31.058 29.762 0.014 0.000 1.842 475 H HN 0.432 nan 8.280 nan 0.000 0.533 476 S N -0.302 115.359 115.700 -0.064 0.000 3.697 476 S HA -0.205 4.265 4.470 -0.000 0.000 0.388 476 S C -0.605 173.969 174.600 -0.043 0.000 0.941 476 S CA 0.412 58.589 58.200 -0.039 0.000 1.247 476 S CB -2.471 60.654 63.200 -0.125 0.000 0.904 476 S HN 0.476 nan 8.310 nan 0.000 0.518 477 Y N 2.045 122.364 120.300 0.032 0.000 2.397 477 Y HA 0.284 4.834 4.550 -0.000 0.000 0.335 477 Y C 1.361 177.296 175.900 0.058 0.000 1.213 477 Y CA 0.461 58.589 58.100 0.047 0.000 1.391 477 Y CB 0.474 38.963 38.460 0.048 0.000 1.293 477 Y HN 0.515 nan 8.280 nan 0.000 0.557 478 S N 2.817 118.645 115.700 0.213 0.000 2.563 478 S HA 0.032 4.502 4.470 -0.000 0.000 0.284 478 S C -1.934 172.737 174.600 0.119 0.000 1.331 478 S CA -1.030 57.245 58.200 0.126 0.000 1.047 478 S CB 1.006 64.255 63.200 0.082 0.000 0.859 478 S HN 0.482 nan 8.310 nan 0.000 0.514 479 P HA -0.008 nan 4.420 nan 0.000 0.215 479 P C 1.781 179.115 177.300 0.056 0.000 1.153 479 P CA 1.699 64.838 63.100 0.067 0.000 0.853 479 P CB -0.473 31.257 31.700 0.050 0.000 0.788 480 G N -0.112 108.716 108.800 0.047 0.000 2.446 480 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.217 480 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.217 480 G C 1.663 176.586 174.900 0.038 0.000 1.168 480 G CA 1.047 46.167 45.100 0.033 0.000 0.771 480 G HN 0.263 nan 8.290 nan 0.000 0.551 481 E N 0.706 120.946 120.200 0.068 0.000 2.051 481 E HA -0.061 4.288 4.350 -0.000 0.000 0.192 481 E C 2.464 179.101 176.600 0.062 0.000 0.991 481 E CA 0.846 57.298 56.400 0.086 0.000 0.799 481 E CB -0.445 29.361 29.700 0.178 0.000 0.748 481 E HN 0.486 nan 8.360 nan 0.000 0.449 482 I N 0.920 121.532 120.570 0.071 0.000 2.208 482 I HA -0.309 3.861 4.170 -0.000 0.000 0.245 482 I C 2.027 178.159 176.117 0.025 0.000 1.097 482 I CA 1.166 62.491 61.300 0.042 0.000 1.363 482 I CB -0.451 37.589 38.000 0.067 0.000 1.051 482 I HN 0.205 nan 8.210 nan 0.000 0.413 483 N N 0.639 119.356 118.700 0.028 0.000 2.188 483 N HA -0.185 4.554 4.740 -0.000 0.000 0.184 483 N C 1.934 177.443 175.510 -0.001 0.000 1.018 483 N CA 1.079 54.138 53.050 0.016 0.000 0.858 483 N CB -0.323 38.174 38.487 0.018 0.000 0.989 483 N HN 0.367 nan 8.380 nan 0.000 0.426 484 R N 1.076 121.570 120.500 -0.010 0.000 2.073 484 R HA -0.051 4.289 4.340 -0.000 0.000 0.234 484 R C 2.037 178.298 176.300 -0.064 0.000 1.134 484 R CA 1.040 57.117 56.100 -0.038 0.000 0.952 484 R CB -0.195 30.076 30.300 -0.047 0.000 0.850 484 R HN -0.067 nan 8.270 nan 0.000 0.433 485 V N 1.180 121.060 119.914 -0.058 0.000 2.255 485 V HA -0.264 3.856 4.120 -0.000 0.000 0.247 485 V C 2.516 178.581 176.094 -0.048 0.000 1.051 485 V CA 2.050 64.303 62.300 -0.078 0.000 1.018 485 V CB -0.950 30.853 31.823 -0.033 0.000 0.641 485 V HN 0.589 nan 8.190 nan 0.000 0.445 486 A N -0.578 122.233 122.820 -0.015 0.000 1.917 486 A HA -0.287 4.033 4.320 -0.000 0.000 0.219 486 A C 2.570 180.155 177.584 0.001 0.000 1.182 486 A CA 2.515 54.555 52.037 0.006 0.000 0.633 486 A CB -0.885 18.126 19.000 0.019 0.000 0.819 486 A HN 0.512 nan 8.150 nan 0.000 0.448 487 S N -1.458 114.237 115.700 -0.009 0.000 2.383 487 S HA -0.193 4.276 4.470 -0.000 0.000 0.227 487 S C 2.064 176.654 174.600 -0.016 0.000 1.026 487 S CA 1.500 59.695 58.200 -0.007 0.000 0.981 487 S CB -0.938 62.255 63.200 -0.012 0.000 0.818 487 S HN 0.766 nan 8.310 nan 0.000 0.472 488 C N 1.453 120.726 119.300 -0.045 0.000 2.432 488 C HA 0.055 4.515 4.460 -0.000 0.000 0.277 488 C C 2.494 177.460 174.990 -0.039 0.000 1.249 488 C CA 0.915 59.895 59.018 -0.063 0.000 1.725 488 C CB -1.712 25.947 27.740 -0.135 0.000 2.028 488 C HN 0.689 nan 8.230 nan 0.000 0.477 489 L N 0.561 121.766 121.223 -0.029 0.000 2.046 489 L HA -0.129 4.210 4.340 -0.000 0.000 0.208 489 L C 3.017 179.888 176.870 0.001 0.000 1.077 489 L CA 1.742 56.581 54.840 -0.003 0.000 0.747 489 L CB -0.876 41.206 42.059 0.038 0.000 0.896 489 L HN 0.383 nan 8.230 nan 0.000 0.432 490 R N 0.490 121.000 120.500 0.017 0.000 2.073 490 R HA -0.192 4.148 4.340 -0.000 0.000 0.234 490 R C 2.351 178.694 176.300 0.073 0.000 1.134 490 R CA 1.480 57.602 56.100 0.037 0.000 0.952 490 R CB -0.377 29.948 30.300 0.041 0.000 0.850 490 R HN 0.313 nan 8.270 nan 0.000 0.433 491 K N 1.289 121.730 120.400 0.067 0.000 2.032 491 K HA -0.132 4.188 4.320 -0.000 0.000 0.209 491 K C 1.924 178.648 176.600 0.206 0.000 1.048 491 K CA 1.338 57.695 56.287 0.117 0.000 0.927 491 K CB -0.031 32.504 32.500 0.059 0.000 0.712 491 K HN 0.146 nan 8.250 nan 0.000 0.441 492 L N -0.433 120.828 121.223 0.063 0.000 2.418 492 L HA 0.113 4.453 4.340 -0.000 0.000 0.218 492 L C 0.982 177.623 176.870 -0.382 0.000 1.125 492 L CA 0.496 55.340 54.840 0.006 0.000 0.835 492 L CB 0.020 42.072 42.059 -0.013 0.000 0.953 492 L HN 0.606 nan 8.230 nan 0.000 0.454 493 G N 0.898 109.376 108.800 -0.537 0.000 2.212 493 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.255 493 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.255 493 G C -0.114 174.634 174.900 -0.253 0.000 1.062 493 G CA -0.041 44.634 45.100 -0.708 0.000 0.815 493 G HN 0.085 nan 8.290 nan 0.000 0.497 494 V N 0.713 120.574 119.914 -0.088 0.000 2.439 494 V HA 0.444 4.564 4.120 -0.000 0.000 0.282 494 V C -1.280 174.903 176.094 0.148 0.000 1.039 494 V CA -1.715 60.630 62.300 0.074 0.000 0.913 494 V CB 1.617 33.504 31.823 0.106 0.000 0.983 494 V HN 0.169 nan 8.190 nan 0.000 0.460 495 P HA 0.067 nan 4.420 nan 0.000 0.265 495 P C -2.405 175.041 177.300 0.244 0.000 1.187 495 P CA -0.535 62.607 63.100 0.071 0.000 0.766 495 P CB -0.173 31.370 31.700 -0.261 0.000 0.820 496 P HA 0.006 nan 4.420 nan 0.000 0.269 496 P C 0.890 178.380 177.300 0.316 0.000 1.215 496 P CA 0.126 63.334 63.100 0.179 0.000 0.780 496 P CB 0.708 32.463 31.700 0.092 0.000 0.898 497 L N 1.299 122.706 121.223 0.306 0.000 2.189 497 L HA -0.232 4.107 4.340 -0.000 0.000 0.214 497 L C 2.839 179.909 176.870 0.333 0.000 1.097 497 L CA 1.889 56.940 54.840 0.352 0.000 0.764 497 L CB -0.848 41.308 42.059 0.163 0.000 0.900 497 L HN 0.499 nan 8.230 nan 0.000 0.436 498 R N 0.477 121.106 120.500 0.215 0.000 2.115 498 R HA -0.057 4.283 4.340 -0.000 0.000 0.230 498 R C 2.230 178.618 176.300 0.147 0.000 1.111 498 R CA 1.138 57.343 56.100 0.175 0.000 0.976 498 R CB -0.590 29.774 30.300 0.107 0.000 0.870 498 R HN 0.211 nan 8.270 nan 0.000 0.445 499 A N 0.907 123.767 122.820 0.067 0.000 1.969 499 A HA -0.073 4.247 4.320 -0.000 0.000 0.218 499 A C 1.539 179.064 177.584 -0.099 0.000 1.169 499 A CA 0.813 52.797 52.037 -0.088 0.000 0.635 499 A CB -0.815 18.032 19.000 -0.255 0.000 0.810 499 A HN 0.569 nan 8.150 nan 0.000 0.445 500 W N -0.373 121.032 121.300 0.175 0.000 2.436 500 W HA 0.048 4.708 4.660 -0.000 0.000 0.284 500 W C 2.431 179.150 176.519 0.332 0.000 1.225 500 W CA 0.997 58.484 57.345 0.237 0.000 1.271 500 W CB -0.069 29.528 29.460 0.229 0.000 1.114 500 W HN 0.275 nan 8.180 nan 0.000 0.559 501 R N -0.072 120.741 120.500 0.523 0.000 2.081 501 R HA -0.241 4.099 4.340 -0.000 0.000 0.235 501 R C 2.085 178.519 176.300 0.222 0.000 1.131 501 R CA 2.155 58.523 56.100 0.448 0.000 0.960 501 R CB -0.694 29.837 30.300 0.385 0.000 0.856 501 R HN 0.251 nan 8.270 nan 0.000 0.436 502 H N 0.332 119.457 119.070 0.092 0.000 2.321 502 H HA -0.053 4.503 4.556 -0.000 0.000 0.300 502 H C 2.027 177.344 175.328 -0.018 0.000 1.087 502 H CA 2.236 58.289 56.048 0.007 0.000 1.319 502 H CB 0.093 29.842 29.762 -0.021 0.000 1.379 502 H HN 0.154 nan 8.280 nan 0.000 0.501 503 R N -0.167 120.339 120.500 0.009 0.000 2.081 503 R HA -0.049 4.291 4.340 -0.000 0.000 0.235 503 R C 2.593 178.843 176.300 -0.084 0.000 1.131 503 R CA 1.015 57.077 56.100 -0.064 0.000 0.960 503 R CB -0.347 29.969 30.300 0.026 0.000 0.856 503 R HN 0.401 nan 8.270 nan 0.000 0.436 504 A N 1.348 124.180 122.820 0.021 0.000 1.933 504 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 504 A C 2.092 179.427 177.584 -0.414 0.000 1.175 504 A CA 1.234 53.170 52.037 -0.168 0.000 0.628 504 A CB -0.340 18.686 19.000 0.044 0.000 0.814 504 A HN 0.219 nan 8.150 nan 0.000 0.444 505 R N -0.653 119.667 120.500 -0.300 0.000 2.096 505 R HA -0.160 4.180 4.340 -0.000 0.000 0.235 505 R C 2.212 178.335 176.300 -0.295 0.000 1.127 505 R CA 1.610 57.535 56.100 -0.292 0.000 0.968 505 R CB -0.416 29.759 30.300 -0.210 0.000 0.861 505 R HN 0.761 nan 8.270 nan 0.000 0.440 506 N N 0.209 118.725 118.700 -0.307 0.000 2.142 506 N HA -0.130 4.610 4.740 -0.000 0.000 0.186 506 N C 1.559 176.918 175.510 -0.252 0.000 1.023 506 N CA 1.095 53.987 53.050 -0.263 0.000 0.852 506 N CB 0.054 38.376 38.487 -0.275 0.000 0.998 506 N HN -0.070 nan 8.380 nan 0.000 0.424 507 V N 0.968 120.692 119.914 -0.316 0.000 2.343 507 V HA -0.193 3.926 4.120 -0.000 0.000 0.247 507 V C 2.563 178.399 176.094 -0.429 0.000 1.051 507 V CA 1.928 64.018 62.300 -0.350 0.000 1.036 507 V CB -0.748 30.802 31.823 -0.455 0.000 0.654 507 V HN 0.406 nan 8.190 nan 0.000 0.451 508 R N 0.370 120.516 120.500 -0.590 0.000 2.091 508 R HA -0.200 4.140 4.340 -0.000 0.000 0.238 508 R C 2.267 178.436 176.300 -0.219 0.000 1.136 508 R CA 1.871 57.717 56.100 -0.423 0.000 0.959 508 R CB -0.473 29.609 30.300 -0.363 0.000 0.856 508 R HN 0.477 nan 8.270 nan 0.000 0.437 509 A N 1.023 123.723 122.820 -0.201 0.000 1.902 509 A HA -0.151 4.169 4.320 -0.000 0.000 0.217 509 A C 2.181 179.703 177.584 -0.102 0.000 1.181 509 A CA 1.474 53.431 52.037 -0.133 0.000 0.623 509 A CB -0.409 18.515 19.000 -0.126 0.000 0.818 509 A HN 0.392 nan 8.150 nan 0.000 0.443 510 R N -0.577 119.856 120.500 -0.111 0.000 2.120 510 R HA 0.009 4.349 4.340 -0.000 0.000 0.234 510 R C 1.945 178.220 176.300 -0.041 0.000 1.123 510 R CA 1.313 57.372 56.100 -0.068 0.000 0.975 510 R CB -0.424 29.837 30.300 -0.065 0.000 0.866 510 R HN 0.502 nan 8.270 nan 0.000 0.446 511 L N 0.233 121.423 121.223 -0.054 0.000 2.109 511 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 511 L C 2.195 179.057 176.870 -0.013 0.000 1.086 511 L CA 0.923 55.754 54.840 -0.014 0.000 0.760 511 L CB -0.285 41.759 42.059 -0.025 0.000 0.910 511 L HN 0.184 nan 8.230 nan 0.000 0.437 512 L N -0.334 120.868 121.223 -0.036 0.000 2.131 512 L HA -0.163 4.177 4.340 -0.000 0.000 0.210 512 L C 2.685 179.543 176.870 -0.020 0.000 1.092 512 L CA 1.392 56.215 54.840 -0.028 0.000 0.759 512 L CB -0.501 41.530 42.059 -0.046 0.000 0.903 512 L HN 0.385 nan 8.230 nan 0.000 0.435 513 S N -0.971 114.715 115.700 -0.024 0.000 2.561 513 S HA 0.012 4.482 4.470 -0.000 0.000 0.225 513 S C 1.050 175.648 174.600 -0.004 0.000 0.977 513 S CA -0.078 58.112 58.200 -0.017 0.000 0.926 513 S CB -0.045 63.141 63.200 -0.023 0.000 0.769 513 S HN 0.321 nan 8.310 nan 0.000 0.533 514 R N 0.046 120.549 120.500 0.005 0.000 2.700 514 R HA 0.655 4.995 4.340 -0.000 0.000 0.253 514 R C 0.651 176.963 176.300 0.020 0.000 1.091 514 R CA -0.321 55.789 56.100 0.017 0.000 1.104 514 R CB 0.581 30.900 30.300 0.033 0.000 1.202 514 R HN 0.300 nan 8.270 nan 0.000 0.532 515 G N -0.996 107.819 108.800 0.025 0.000 2.477 515 G HA2 0.437 4.397 3.960 -0.000 0.000 0.304 515 G HA3 0.437 4.397 3.960 -0.000 0.000 0.304 515 G C 0.321 175.239 174.900 0.029 0.000 1.175 515 G CA -0.042 45.072 45.100 0.023 0.000 0.907 515 G HN 0.704 nan 8.290 nan 0.000 0.509 516 G N 0.750 109.565 108.800 0.024 0.000 2.684 516 G HA2 -0.394 3.566 3.960 -0.000 0.000 0.332 516 G HA3 -0.394 3.566 3.960 -0.000 0.000 0.332 516 G C 1.469 176.386 174.900 0.028 0.000 1.306 516 G CA 1.063 46.177 45.100 0.024 0.000 1.002 516 G HN 0.820 nan 8.290 nan 0.000 0.545 517 R N 0.576 121.096 120.500 0.033 0.000 2.185 517 R HA -0.042 4.297 4.340 -0.000 0.000 0.247 517 R C 3.136 179.470 176.300 0.057 0.000 1.159 517 R CA 1.933 58.056 56.100 0.039 0.000 0.988 517 R CB -0.574 29.759 30.300 0.055 0.000 0.871 517 R HN 0.644 nan 8.270 nan 0.000 0.458 518 A N 1.230 124.092 122.820 0.071 0.000 1.902 518 A HA -0.109 4.211 4.320 -0.000 0.000 0.217 518 A C 2.372 179.984 177.584 0.046 0.000 1.181 518 A CA 1.673 53.759 52.037 0.083 0.000 0.623 518 A CB -0.567 18.484 19.000 0.085 0.000 0.818 518 A HN 0.400 nan 8.150 nan 0.000 0.443 519 A N -0.383 122.458 122.820 0.034 0.000 1.968 519 A HA 0.040 4.360 4.320 -0.000 0.000 0.217 519 A C 1.935 179.541 177.584 0.036 0.000 1.169 519 A CA 1.347 53.397 52.037 0.022 0.000 0.638 519 A CB -0.385 18.625 19.000 0.017 0.000 0.812 519 A HN 0.399 nan 8.150 nan 0.000 0.446 520 I N -0.268 120.329 120.570 0.044 0.000 2.315 520 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 520 I C 2.487 178.641 176.117 0.061 0.000 1.117 520 I CA 0.837 62.183 61.300 0.076 0.000 1.404 520 I CB -1.670 36.318 38.000 -0.019 0.000 1.071 520 I HN 0.348 nan 8.210 nan 0.000 0.419 521 C N 0.940 120.239 119.300 -0.001 0.000 2.446 521 C HA -0.060 4.400 4.460 -0.000 0.000 0.277 521 C C 3.034 178.004 174.990 -0.034 0.000 1.275 521 C CA 1.029 60.000 59.018 -0.080 0.000 1.727 521 C CB -1.615 26.032 27.740 -0.155 0.000 2.010 521 C HN 0.627 nan 8.230 nan 0.000 0.486 522 G N 0.080 108.895 108.800 0.026 0.000 2.418 522 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.217 522 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.217 522 G C 1.649 176.587 174.900 0.063 0.000 1.158 522 G CA 1.083 46.240 45.100 0.095 0.000 0.771 522 G HN 0.642 nan 8.290 nan 0.000 0.545 523 K N -0.873 119.527 120.400 -0.000 0.000 2.031 523 K HA -0.036 4.284 4.320 -0.000 0.000 0.205 523 K C 2.205 178.667 176.600 -0.231 0.000 1.049 523 K CA 0.942 57.165 56.287 -0.106 0.000 0.939 523 K CB -0.268 32.163 32.500 -0.114 0.000 0.717 523 K HN 0.362 nan 8.250 nan 0.000 0.438 524 Y N 1.035 121.165 120.300 -0.284 0.000 2.206 524 Y HA -0.017 4.532 4.550 -0.000 0.000 0.292 524 Y C 2.052 177.699 175.900 -0.422 0.000 1.123 524 Y CA 0.911 58.688 58.100 -0.539 0.000 1.142 524 Y CB -0.104 37.763 38.460 -0.989 0.000 1.006 524 Y HN -0.040 nan 8.280 nan 0.000 0.518 525 L N -1.834 119.271 121.223 -0.196 0.000 2.201 525 L HA -0.127 4.213 4.340 -0.000 0.000 0.212 525 L C 0.714 177.304 176.870 -0.467 0.000 1.105 525 L CA 1.288 55.949 54.840 -0.299 0.000 0.775 525 L CB -0.366 41.318 42.059 -0.625 0.000 0.913 525 L HN 0.176 nan 8.230 nan 0.000 0.440 526 F N -1.599 118.302 119.950 -0.082 0.000 2.735 526 F HA 0.191 4.717 4.527 -0.000 0.000 0.304 526 F C 1.574 177.055 175.800 -0.533 0.000 1.119 526 F CA -0.358 57.375 58.000 -0.445 0.000 1.280 526 F CB -0.315 38.429 39.000 -0.425 0.000 0.994 526 F HN -0.083 nan 8.300 nan 0.000 0.520 527 N N 1.202 119.819 118.700 -0.139 0.000 2.289 527 N HA -0.187 4.552 4.740 -0.000 0.000 0.184 527 N C 1.957 177.437 175.510 -0.051 0.000 1.016 527 N CA 1.527 54.515 53.050 -0.104 0.000 0.872 527 N CB -0.170 38.276 38.487 -0.069 0.000 0.973 527 N HN 0.556 nan 8.380 nan 0.000 0.433 528 W N -0.302 121.037 121.300 0.065 0.000 2.425 528 W HA 0.109 4.769 4.660 -0.000 0.000 0.277 528 W C 1.283 177.861 176.519 0.098 0.000 1.231 528 W CA 0.693 58.084 57.345 0.078 0.000 1.248 528 W CB -0.852 28.667 29.460 0.097 0.000 1.117 528 W HN 0.037 nan 8.180 nan 0.000 0.568 529 A N 1.426 123.843 122.820 -0.671 0.000 2.206 529 A HA 0.219 4.539 4.320 -0.000 0.000 0.211 529 A C 0.925 178.379 177.584 -0.218 0.000 1.158 529 A CA 1.154 52.821 52.037 -0.617 0.000 0.761 529 A CB -0.807 17.561 19.000 -1.054 0.000 0.801 529 A HN 0.172 nan 8.150 nan 0.000 0.473 530 V N -4.310 115.515 119.914 -0.149 0.000 2.769 530 V HA 0.477 4.597 4.120 -0.000 0.000 0.312 530 V C 0.555 176.627 176.094 -0.037 0.000 1.061 530 V CA -0.921 61.328 62.300 -0.086 0.000 0.931 530 V CB 1.692 33.451 31.823 -0.105 0.000 1.010 530 V HN 0.235 nan 8.190 nan 0.000 0.433 531 K N 0.980 121.366 120.400 -0.023 0.000 2.062 531 K HA 0.053 4.373 4.320 -0.000 0.000 0.205 531 K C 0.702 177.285 176.600 -0.028 0.000 1.051 531 K CA 1.417 57.697 56.287 -0.013 0.000 0.941 531 K CB -0.104 32.393 32.500 -0.005 0.000 0.719 531 K HN 0.803 nan 8.250 nan 0.000 0.440 532 T N 2.949 117.481 114.554 -0.036 0.000 3.185 532 T HA 0.132 4.481 4.350 -0.000 0.000 0.287 532 T C -0.240 174.427 174.700 -0.054 0.000 1.051 532 T CA -0.123 61.952 62.100 -0.041 0.000 1.051 532 T CB 0.235 69.079 68.868 -0.040 0.000 1.034 532 T HN -0.081 nan 8.240 nan 0.000 0.685 533 K N 2.610 122.978 120.400 -0.053 0.000 2.382 533 K HA 0.306 4.626 4.320 -0.000 0.000 0.275 533 K C 0.180 176.733 176.600 -0.079 0.000 1.009 533 K CA -0.085 56.162 56.287 -0.066 0.000 0.970 533 K CB 0.341 32.806 32.500 -0.057 0.000 0.934 533 K HN 0.468 nan 8.250 nan 0.000 0.479 534 L N 2.069 123.227 121.223 -0.108 0.000 2.399 534 L HA 0.331 4.671 4.340 -0.000 0.000 0.265 534 L C 0.483 177.268 176.870 -0.143 0.000 1.089 534 L CA -0.747 54.017 54.840 -0.127 0.000 0.802 534 L CB 1.148 43.108 42.059 -0.166 0.000 1.180 534 L HN 0.485 nan 8.230 nan 0.000 0.454 535 K N 2.645 122.969 120.400 -0.127 0.000 2.316 535 K HA 0.305 4.625 4.320 -0.000 0.000 0.289 535 K C -0.915 175.582 176.600 -0.173 0.000 1.070 535 K CA -0.363 55.859 56.287 -0.109 0.000 0.928 535 K CB 0.352 32.816 32.500 -0.061 0.000 1.039 535 K HN 0.479 nan 8.250 nan 0.000 0.480 536 L N 6.021 127.137 121.223 -0.179 0.000 2.328 536 L HA 0.155 4.495 4.340 -0.000 0.000 0.280 536 L C 0.632 177.529 176.870 0.046 0.000 1.111 536 L CA -0.650 54.040 54.840 -0.251 0.000 0.909 536 L CB 0.286 42.189 42.059 -0.261 0.000 1.277 536 L HN 0.736 nan 8.230 nan 0.000 0.433 537 T N 0.136 114.758 114.554 0.114 0.000 2.847 537 T HA 0.453 4.803 4.350 -0.000 0.000 0.279 537 T C -2.465 172.374 174.700 0.231 0.000 0.984 537 T CA -2.107 60.083 62.100 0.150 0.000 0.988 537 T CB 1.037 69.963 68.868 0.097 0.000 1.040 537 T HN 0.133 nan 8.240 nan 0.000 0.528 538 P HA 0.165 nan 4.420 nan 0.000 0.264 538 P C -0.234 177.095 177.300 0.050 0.000 1.193 538 P CA -0.046 63.114 63.100 0.101 0.000 0.763 538 P CB 0.042 31.779 31.700 0.062 0.000 0.810 539 I N 2.371 122.913 120.570 -0.047 0.000 2.662 539 I HA 0.034 4.204 4.170 -0.000 0.000 0.285 539 I C 1.259 177.330 176.117 -0.076 0.000 1.161 539 I CA -0.056 61.150 61.300 -0.157 0.000 1.415 539 I CB 0.254 38.057 38.000 -0.327 0.000 1.385 539 I HN 0.413 nan 8.210 nan 0.000 0.552 550 W N 2.376 123.508 121.300 -0.280 0.000 2.402 550 W HA 0.435 5.095 4.660 -0.000 0.000 0.286 550 W C 0.374 176.323 176.519 -0.951 0.000 1.221 550 W CA 0.314 57.191 57.345 -0.780 0.000 1.257 550 W CB -0.489 28.127 29.460 -1.405 0.000 1.120 550 W HN 0.386 nan 8.180 nan 0.000 0.551 551 F N -0.506 119.587 119.950 0.238 0.000 2.523 551 F HA 0.290 4.816 4.527 -0.000 0.000 0.322 551 F C 0.891 176.838 175.800 0.244 0.000 1.361 551 F CA -0.171 57.968 58.000 0.231 0.000 1.151 551 F CB 0.250 39.322 39.000 0.121 0.000 1.391 551 F HN -0.393 nan 8.300 nan 0.000 0.566 552 T N -0.296 114.478 114.554 0.367 0.000 3.098 552 T HA 0.585 4.935 4.350 -0.000 0.000 0.246 552 T C 0.613 175.480 174.700 0.278 0.000 0.983 552 T CA 0.453 62.716 62.100 0.272 0.000 1.094 552 T CB 0.531 69.535 68.868 0.227 0.000 1.035 552 T HN 0.322 nan 8.240 nan 0.000 0.456 553 A N 0.244 123.208 122.820 0.239 0.000 2.602 553 A HA 0.763 5.083 4.320 -0.000 0.000 0.290 553 A C -0.482 176.831 177.584 -0.452 0.000 1.114 553 A CA -0.400 51.635 52.037 -0.002 0.000 0.683 553 A CB 0.816 19.672 19.000 -0.240 0.000 1.281 553 A HN 0.325 nan 8.150 nan 0.000 0.416 554 G N -1.426 106.774 108.800 -1.001 0.000 2.389 554 G HA2 0.549 4.509 3.960 -0.000 0.000 0.317 554 G HA3 0.549 4.509 3.960 -0.000 0.000 0.317 554 G C -0.867 173.346 174.900 -1.145 0.000 1.137 554 G CA -0.114 44.043 45.100 -1.572 0.000 0.870 554 G HN 0.624 nan 8.290 nan 0.000 0.496 555 Y N 0.282 120.347 120.300 -0.392 0.000 2.779 555 Y HA 0.241 4.790 4.550 -0.000 0.000 0.251 555 Y C 1.257 177.068 175.900 -0.148 0.000 1.145 555 Y CA -0.686 57.286 58.100 -0.212 0.000 1.201 555 Y CB 0.460 38.820 38.460 -0.166 0.000 1.281 555 Y HN 0.381 nan 8.280 nan 0.000 0.563 556 S N 1.133 116.799 115.700 -0.058 0.000 2.673 556 S HA 0.236 4.706 4.470 -0.000 0.000 0.308 556 S C 1.393 176.009 174.600 0.027 0.000 1.246 556 S CA 1.324 59.525 58.200 0.000 0.000 1.077 556 S CB 0.117 63.323 63.200 0.010 0.000 0.814 556 S HN 0.926 nan 8.310 nan 0.000 0.503 557 G N 3.012 111.834 108.800 0.035 0.000 2.184 557 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.264 557 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.264 557 G C 0.796 175.729 174.900 0.056 0.000 0.975 557 G CA 0.255 45.383 45.100 0.047 0.000 0.642 557 G HN 1.083 nan 8.290 nan 0.000 0.536 558 G N -0.082 108.756 108.800 0.063 0.000 2.920 558 G HA2 0.364 4.324 3.960 -0.000 0.000 0.208 558 G HA3 0.364 4.324 3.960 -0.000 0.000 0.208 558 G C 0.535 175.469 174.900 0.056 0.000 1.159 558 G CA 1.156 46.310 45.100 0.090 0.000 0.784 558 G HN 1.192 nan 8.290 nan 0.000 0.535 559 D N -0.469 119.934 120.400 0.006 0.000 2.689 559 D HA -0.167 4.473 4.640 -0.000 0.000 0.237 559 D C -0.047 176.220 176.300 -0.053 0.000 1.148 559 D CA 0.375 54.358 54.000 -0.028 0.000 0.656 559 D CB -1.169 39.626 40.800 -0.009 0.000 1.050 559 D HN 0.117 nan 8.370 nan 0.000 0.426 560 I N 1.276 121.778 120.570 -0.113 0.000 2.377 560 I HA 0.336 4.506 4.170 -0.000 0.000 0.293 560 I C -0.012 175.929 176.117 -0.293 0.000 0.987 560 I CA -0.767 60.386 61.300 -0.245 0.000 1.185 560 I CB 1.187 38.902 38.000 -0.474 0.000 1.341 560 I HN 0.112 nan 8.210 nan 0.000 0.455 561 Y N 6.033 126.094 120.300 -0.397 0.000 2.338 561 Y HA 0.459 5.009 4.550 -0.000 0.000 0.333 561 Y C -0.475 175.235 175.900 -0.317 0.000 0.968 561 Y CA -0.357 57.519 58.100 -0.372 0.000 1.123 561 Y CB 1.101 39.423 38.460 -0.230 0.000 1.165 561 Y HN 0.630 nan 8.280 nan 0.000 0.452 562 H N 0.000 118.466 119.070 -1.006 0.000 2.539 562 H HA 0.000 4.556 4.556 -0.000 0.000 0.296 562 H CA 0.000 55.524 56.048 -0.873 0.000 1.023 562 H CB 0.000 29.140 29.762 -1.036 0.000 1.292 562 H HN 0.000 nan 8.280 nan 0.000 0.496