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 1bt9_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGAAAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFGG DTAYSDDFFV GRVGGVATYR NSNFFGLVDG DATA SEQUENCE LNFAVQYLGK NERDTARRSN GDGVGGSISY EYEGFGIVGA YGAADRTNLQ DATA SEQUENCE EAQPLGNGKK AEQWATGLKY DANNIYLAAN YGETRNATPI TNKFTNTSGF DATA SEQUENCE ANKTQDVLLV AQYQFDFGLR PSIAYTKSKA KDVEGIGDVD LVNYFEVGAT DATA SEQUENCE YYFNKNMSTY VDYIINQIDS DNKLGVGSDD TVAVGIVYQF 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.702 177.584 0.196 0.000 1.274 1 A CA 0.000 52.168 52.037 0.218 0.000 0.836 1 A CB 0.000 19.205 19.000 0.341 0.000 0.831 2 E N 2.740 123.025 120.200 0.142 0.000 2.081 2 E HA 0.275 4.625 4.350 -0.001 0.000 0.270 2 E C 0.820 177.505 176.600 0.141 0.000 1.180 2 E CA 0.041 56.519 56.400 0.131 0.000 0.926 2 E CB 0.037 29.788 29.700 0.084 0.000 1.035 2 E HN 0.654 nan 8.360 nan 0.000 0.418 3 I N 2.328 123.007 120.570 0.182 0.000 3.883 3 I HA 0.253 4.423 4.170 -0.001 0.000 0.326 3 I C -0.534 175.715 176.117 0.221 0.000 1.283 3 I CA -0.276 61.133 61.300 0.181 0.000 1.161 3 I CB 0.244 38.361 38.000 0.195 0.000 1.012 3 I HN 0.334 nan 8.210 nan 0.000 0.421 4 Y N 1.953 122.292 120.300 0.065 0.000 2.442 4 Y HA 0.541 5.091 4.550 -0.001 0.000 0.330 4 Y C -1.586 174.339 175.900 0.043 0.000 1.100 4 Y CA -1.092 57.035 58.100 0.045 0.000 1.034 4 Y CB 1.347 39.828 38.460 0.033 0.000 1.285 4 Y HN 0.093 nan 8.280 nan 0.000 0.440 5 N N 5.114 123.443 118.700 -0.619 0.000 2.827 5 N HA 0.232 4.972 4.740 -0.001 0.000 0.240 5 N C -2.180 173.084 175.510 -0.411 0.000 1.352 5 N CA -0.411 52.447 53.050 -0.319 0.000 0.760 5 N CB 0.922 39.334 38.487 -0.125 0.000 1.426 5 N HN 0.771 nan 8.380 nan 0.000 0.561 6 K N 1.639 121.808 120.400 -0.386 0.000 2.557 6 K HA 0.404 4.724 4.320 -0.001 0.000 0.257 6 K C -1.192 175.414 176.600 0.010 0.000 0.933 6 K CA -0.347 55.814 56.287 -0.209 0.000 0.820 6 K CB 0.901 33.192 32.500 -0.349 0.000 1.330 6 K HN 0.102 nan 8.250 nan 0.000 0.432 7 D N 2.891 123.299 120.400 0.013 0.000 2.746 7 D HA -0.164 4.476 4.640 -0.001 0.000 0.236 7 D C 0.729 177.065 176.300 0.060 0.000 1.129 7 D CA 2.210 56.238 54.000 0.046 0.000 0.691 7 D CB -1.157 39.686 40.800 0.072 0.000 1.077 7 D HN 1.166 nan 8.370 nan 0.000 0.432 8 G N -0.503 108.327 108.800 0.050 0.000 2.284 8 G HA2 -0.368 3.592 3.960 -0.001 0.000 0.247 8 G HA3 -0.368 3.592 3.960 -0.001 0.000 0.247 8 G C 0.254 175.206 174.900 0.086 0.000 1.012 8 G CA 0.360 45.497 45.100 0.062 0.000 0.618 8 G HN 0.561 nan 8.290 nan 0.000 0.521 9 N N 1.027 119.800 118.700 0.121 0.000 2.438 9 N HA 0.544 5.284 4.740 -0.001 0.000 0.282 9 N C -0.293 175.334 175.510 0.195 0.000 1.037 9 N CA -0.168 52.981 53.050 0.165 0.000 0.942 9 N CB 0.830 39.443 38.487 0.209 0.000 1.136 9 N HN 0.678 nan 8.380 nan 0.000 0.481 10 K N 1.756 122.260 120.400 0.174 0.000 2.471 10 K HA 0.521 4.841 4.320 -0.001 0.000 0.252 10 K C -1.680 175.041 176.600 0.201 0.000 0.938 10 K CA -0.755 55.636 56.287 0.173 0.000 0.796 10 K CB 1.207 33.764 32.500 0.094 0.000 1.161 10 K HN 0.143 nan 8.250 nan 0.000 0.425 11 V N 2.317 122.381 119.914 0.249 0.000 2.513 11 V HA 0.297 4.417 4.120 -0.001 0.000 0.299 11 V C -0.744 175.482 176.094 0.220 0.000 1.035 11 V CA -0.687 61.745 62.300 0.221 0.000 0.889 11 V CB 1.597 33.526 31.823 0.176 0.000 0.988 11 V HN 0.885 nan 8.190 nan 0.000 0.440 12 D N 3.571 124.117 120.400 0.243 0.000 2.408 12 D HA 0.427 5.066 4.640 -0.001 0.000 0.243 12 D C -1.235 175.260 176.300 0.325 0.000 1.075 12 D CA -0.404 53.742 54.000 0.243 0.000 0.832 12 D CB 2.021 42.937 40.800 0.194 0.000 1.162 12 D HN 0.394 nan 8.370 nan 0.000 0.515 13 L N 6.317 127.717 121.223 0.295 0.000 2.287 13 L HA 0.473 4.812 4.340 -0.001 0.000 0.287 13 L C -1.442 175.554 176.870 0.211 0.000 1.022 13 L CA -0.528 54.487 54.840 0.291 0.000 0.814 13 L CB 0.679 42.918 42.059 0.301 0.000 1.217 13 L HN 0.358 nan 8.230 nan 0.000 0.420 14 Y N 2.945 123.192 120.300 -0.088 0.000 2.609 14 Y HA 1.013 5.563 4.550 -0.000 0.000 0.342 14 Y C -0.229 175.295 175.900 -0.627 0.000 1.058 14 Y CA -0.684 57.094 58.100 -0.537 0.000 1.055 14 Y CB 1.668 39.939 38.460 -0.316 0.000 1.292 14 Y HN 0.798 nan 8.280 nan 0.000 0.476 15 G N 1.190 109.498 108.800 -0.820 0.000 2.356 15 G HA2 0.523 4.482 3.960 -0.001 0.000 0.294 15 G HA3 0.523 4.482 3.960 -0.001 0.000 0.294 15 G C -2.368 172.472 174.900 -0.101 0.000 1.423 15 G CA -1.061 43.838 45.100 -0.335 0.000 0.806 15 G HN 1.065 nan 8.290 nan 0.000 0.527 16 K N -1.504 118.971 120.400 0.125 0.000 2.562 16 K HA 0.788 5.108 4.320 -0.001 0.000 0.267 16 K C -1.040 175.639 176.600 0.131 0.000 0.938 16 K CA -0.778 55.604 56.287 0.157 0.000 0.840 16 K CB 2.259 34.796 32.500 0.061 0.000 1.390 16 K HN 1.461 nan 8.250 nan 0.000 0.428 17 A N 2.372 125.290 122.820 0.163 0.000 2.293 17 A HA 0.526 4.846 4.320 -0.001 0.000 0.312 17 A C -1.016 176.556 177.584 -0.020 0.000 1.309 17 A CA -0.746 51.330 52.037 0.064 0.000 0.839 17 A CB 0.922 19.991 19.000 0.115 0.000 1.155 17 A HN 0.400 nan 8.150 nan 0.000 0.501 18 V N 3.041 122.819 119.914 -0.226 0.000 2.311 18 V HA 0.508 4.628 4.120 -0.001 0.000 0.275 18 V C 0.922 176.913 176.094 -0.172 0.000 1.022 18 V CA -0.171 61.968 62.300 -0.268 0.000 0.830 18 V CB 1.404 32.826 31.823 -0.668 0.000 1.012 18 V HN 0.998 nan 8.190 nan 0.000 0.452 19 G N 5.103 113.867 108.800 -0.060 0.000 2.338 19 G HA2 0.554 4.513 3.960 -0.001 0.000 0.295 19 G HA3 0.554 4.513 3.960 -0.001 0.000 0.295 19 G C -1.031 173.864 174.900 -0.009 0.000 1.132 19 G CA -0.111 44.976 45.100 -0.022 0.000 0.922 19 G HN 0.610 nan 8.290 nan 0.000 0.427 20 L N 2.051 123.286 121.223 0.021 0.000 2.472 20 L HA 0.757 5.097 4.340 -0.001 0.000 0.260 20 L C -1.335 175.554 176.870 0.033 0.000 0.963 20 L CA -0.967 53.903 54.840 0.050 0.000 0.829 20 L CB 2.487 44.617 42.059 0.118 0.000 1.348 20 L HN 0.624 nan 8.230 nan 0.000 0.408 21 H N 2.805 121.862 119.070 -0.021 0.000 2.759 21 H HA 0.645 5.200 4.556 -0.001 0.000 0.354 21 H C -1.749 173.563 175.328 -0.027 0.000 1.074 21 H CA -0.353 55.612 56.048 -0.138 0.000 1.226 21 H CB 1.228 30.861 29.762 -0.215 0.000 1.648 21 H HN 0.502 nan 8.280 nan 0.000 0.529 22 Y N 4.179 124.233 120.300 -0.410 0.000 2.360 22 Y HA 0.342 4.892 4.550 -0.001 0.000 0.337 22 Y C -0.849 174.878 175.900 -0.288 0.000 1.039 22 Y CA -1.393 56.630 58.100 -0.129 0.000 1.109 22 Y CB 0.699 39.168 38.460 0.015 0.000 1.201 22 Y HN 0.483 nan 8.280 nan 0.000 0.458 23 F N 1.011 121.181 119.950 0.367 0.000 2.426 23 F HA 0.653 5.180 4.527 -0.001 0.000 0.348 23 F C 0.464 176.377 175.800 0.188 0.000 1.124 23 F CA -0.321 57.833 58.000 0.256 0.000 1.008 23 F CB 1.753 40.871 39.000 0.197 0.000 1.139 23 F HN 0.292 nan 8.300 nan 0.000 0.452 24 S N 1.624 117.507 115.700 0.306 0.000 2.998 24 S HA 0.682 5.152 4.470 -0.001 0.000 0.323 24 S C -1.296 173.409 174.600 0.175 0.000 1.141 24 S CA -0.831 57.494 58.200 0.208 0.000 0.873 24 S CB 2.292 65.587 63.200 0.158 0.000 1.315 24 S HN 0.403 nan 8.310 nan 0.000 0.637 25 K N 0.008 120.485 120.400 0.127 0.000 2.536 25 K HA 0.699 5.018 4.320 -0.001 0.000 0.269 25 K C -0.140 176.511 176.600 0.085 0.000 0.965 25 K CA 0.262 56.612 56.287 0.105 0.000 0.860 25 K CB 1.365 33.926 32.500 0.101 0.000 1.423 25 K HN 1.018 nan 8.250 nan 0.000 0.438 26 G N 1.817 110.660 108.800 0.071 0.000 2.378 26 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.198 26 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.198 26 G C -0.892 174.039 174.900 0.052 0.000 1.223 26 G CA -0.289 44.846 45.100 0.057 0.000 1.088 26 G HN 0.582 nan 8.290 nan 0.000 0.530 27 N N 0.977 119.702 118.700 0.042 0.000 2.920 27 N HA 0.482 5.222 4.740 -0.001 0.000 0.310 27 N C 0.691 176.219 175.510 0.030 0.000 1.384 27 N CA 0.663 53.733 53.050 0.033 0.000 1.083 27 N CB 0.014 38.516 38.487 0.026 0.000 1.389 27 N HN 0.967 nan 8.380 nan 0.000 0.521 28 G N 0.119 108.938 108.800 0.031 0.000 4.464 28 G HA2 0.140 4.100 3.960 -0.001 0.000 0.297 28 G HA3 0.140 4.100 3.960 -0.001 0.000 0.297 28 G C 0.059 174.979 174.900 0.033 0.000 1.342 28 G CA -0.310 44.816 45.100 0.044 0.000 1.335 28 G HN 0.416 nan 8.290 nan 0.000 0.609 29 E N 0.054 120.266 120.200 0.020 0.000 3.105 29 E HA 0.037 4.387 4.350 -0.001 0.000 0.198 29 E C 0.732 177.333 176.600 0.002 0.000 0.976 29 E CA -0.189 56.212 56.400 0.002 0.000 1.219 29 E CB 0.513 30.210 29.700 -0.004 0.000 1.081 29 E HN 0.333 nan 8.360 nan 0.000 0.464 30 N N 0.786 119.498 118.700 0.021 0.000 2.314 30 N HA -0.028 4.712 4.740 -0.001 0.000 0.200 30 N C -0.055 175.478 175.510 0.037 0.000 1.135 30 N CA -0.006 53.060 53.050 0.027 0.000 0.835 30 N CB 0.482 38.993 38.487 0.040 0.000 0.989 30 N HN 0.095 nan 8.380 nan 0.000 0.478 31 S N -1.698 114.024 115.700 0.037 0.000 2.730 31 S HA 0.167 4.637 4.470 -0.001 0.000 0.284 31 S C 0.872 175.494 174.600 0.038 0.000 1.153 31 S CA -0.738 57.494 58.200 0.054 0.000 0.995 31 S CB 0.730 63.973 63.200 0.071 0.000 1.058 31 S HN 0.228 nan 8.310 nan 0.000 0.552 32 Y N 1.220 121.451 120.300 -0.114 0.000 2.153 32 Y HA 0.235 4.785 4.550 -0.001 0.000 0.289 32 Y C 2.180 177.961 175.900 -0.197 0.000 1.119 32 Y CA 1.939 59.920 58.100 -0.199 0.000 1.116 32 Y CB -0.926 37.309 38.460 -0.375 0.000 1.004 32 Y HN 0.758 nan 8.280 nan 0.000 0.501 33 G N -0.641 108.052 108.800 -0.178 0.000 3.088 33 G HA2 0.397 4.356 3.960 -0.001 0.000 0.217 33 G HA3 0.397 4.356 3.960 -0.001 0.000 0.217 33 G C 0.626 175.625 174.900 0.164 0.000 1.159 33 G CA 0.368 45.375 45.100 -0.155 0.000 0.760 33 G HN 0.917 nan 8.290 nan 0.000 0.550 34 G N -0.141 108.720 108.800 0.102 0.000 2.693 34 G HA2 -0.102 3.857 3.960 -0.001 0.000 0.226 34 G HA3 -0.102 3.857 3.960 -0.001 0.000 0.226 34 G C -0.578 174.451 174.900 0.215 0.000 1.354 34 G CA -0.032 45.150 45.100 0.136 0.000 0.873 34 G HN 1.102 nan 8.290 nan 0.000 0.562 35 N N -0.434 118.332 118.700 0.111 0.000 2.406 35 N HA 0.723 5.463 4.740 -0.001 0.000 0.283 35 N C 0.144 175.579 175.510 -0.125 0.000 1.074 35 N CA 1.278 54.356 53.050 0.048 0.000 0.916 35 N CB 1.542 40.069 38.487 0.067 0.000 1.639 35 N HN 2.497 nan 8.380 nan 0.000 0.485 36 G N 1.801 110.390 108.800 -0.351 0.000 2.280 36 G HA2 -0.029 3.931 3.960 -0.001 0.000 0.277 36 G HA3 -0.029 3.931 3.960 -0.001 0.000 0.277 36 G C -1.665 172.621 174.900 -1.024 0.000 1.288 36 G CA -0.639 44.109 45.100 -0.587 0.000 1.075 36 G HN 0.753 nan 8.290 nan 0.000 0.480 37 D N 0.452 120.469 120.400 -0.638 0.000 2.390 37 D HA 0.559 5.199 4.640 -0.001 0.000 0.249 37 D C 1.154 177.253 176.300 -0.335 0.000 1.144 37 D CA 0.182 53.943 54.000 -0.398 0.000 0.880 37 D CB 0.427 41.151 40.800 -0.126 0.000 1.182 37 D HN 0.334 nan 8.370 nan 0.000 0.451 38 M N 2.370 121.792 119.600 -0.296 0.000 2.848 38 M HA 0.076 4.556 4.480 -0.001 0.000 0.420 38 M C -0.185 176.107 176.300 -0.013 0.000 1.304 38 M CA -0.342 54.803 55.300 -0.258 0.000 0.844 38 M CB -0.030 32.219 32.600 -0.584 0.000 1.451 38 M HN 0.235 nan 8.290 nan 0.000 0.511 39 T N 2.679 117.243 114.554 0.018 0.000 2.946 39 T HA 0.176 4.526 4.350 -0.001 0.000 0.312 39 T C -0.415 174.405 174.700 0.201 0.000 1.066 39 T CA 0.882 63.030 62.100 0.080 0.000 1.138 39 T CB 0.073 68.959 68.868 0.030 0.000 1.014 39 T HN 0.426 nan 8.240 nan 0.000 0.544 40 Y N -1.005 119.318 120.300 0.039 0.000 2.725 40 Y HA 0.760 5.309 4.550 -0.001 0.000 0.333 40 Y C -0.877 175.090 175.900 0.112 0.000 1.242 40 Y CA -1.855 56.286 58.100 0.069 0.000 1.059 40 Y CB 0.711 39.198 38.460 0.046 0.000 1.306 40 Y HN 0.770 nan 8.280 nan 0.000 0.454 41 A N 1.392 124.383 122.820 0.285 0.000 2.532 41 A HA 0.984 5.304 4.320 -0.001 0.000 0.290 41 A C -1.335 176.479 177.584 0.383 0.000 1.143 41 A CA -1.151 51.013 52.037 0.211 0.000 0.728 41 A CB 1.972 21.098 19.000 0.209 0.000 1.317 41 A HN 0.642 nan 8.150 nan 0.000 0.414 42 R N -0.445 120.225 120.500 0.284 0.000 2.673 42 R HA 0.702 5.041 4.340 -0.001 0.000 0.281 42 R C -2.080 174.301 176.300 0.135 0.000 0.991 42 R CA -0.633 55.594 56.100 0.211 0.000 0.896 42 R CB 1.550 31.944 30.300 0.157 0.000 1.201 42 R HN 0.698 nan 8.270 nan 0.000 0.457 43 L N 0.131 121.364 121.223 0.017 0.000 2.431 43 L HA 0.871 5.210 4.340 -0.001 0.000 0.266 43 L C -0.640 175.863 176.870 -0.613 0.000 0.978 43 L CA -0.089 54.677 54.840 -0.123 0.000 0.822 43 L CB 2.428 44.626 42.059 0.232 0.000 1.310 43 L HN 0.752 nan 8.230 nan 0.000 0.409 44 G N 2.445 110.696 108.800 -0.915 0.000 2.660 44 G HA2 0.638 4.598 3.960 -0.001 0.000 0.290 44 G HA3 0.638 4.598 3.960 -0.001 0.000 0.290 44 G C -1.960 172.544 174.900 -0.661 0.000 1.432 44 G CA -0.444 43.966 45.100 -1.150 0.000 0.807 44 G HN 0.721 nan 8.290 nan 0.000 0.485 45 F N -1.112 118.785 119.950 -0.089 0.000 2.588 45 F HA 0.876 5.403 4.527 -0.001 0.000 0.314 45 F C -0.729 175.234 175.800 0.272 0.000 1.069 45 F CA -1.639 56.456 58.000 0.158 0.000 0.931 45 F CB 2.305 41.419 39.000 0.189 0.000 1.260 45 F HN 0.287 nan 8.300 nan 0.000 0.465 46 K N 2.154 122.873 120.400 0.531 0.000 2.579 46 K HA 0.554 4.873 4.320 -0.001 0.000 0.250 46 K C -0.648 176.171 176.600 0.364 0.000 0.952 46 K CA -0.695 55.802 56.287 0.349 0.000 0.857 46 K CB 1.950 34.579 32.500 0.216 0.000 1.123 46 K HN 1.090 nan 8.250 nan 0.000 0.433 47 G N 1.668 110.693 108.800 0.374 0.000 2.432 47 G HA2 0.476 4.436 3.960 -0.001 0.000 0.331 47 G HA3 0.476 4.436 3.960 -0.001 0.000 0.331 47 G C -1.196 173.848 174.900 0.239 0.000 1.170 47 G CA -0.244 45.020 45.100 0.273 0.000 0.943 47 G HN 0.532 nan 8.290 nan 0.000 0.483 48 E N -0.022 120.294 120.200 0.195 0.000 2.349 48 E HA 0.391 4.741 4.350 -0.001 0.000 0.290 48 E C -1.465 175.227 176.600 0.152 0.000 0.901 48 E CA -0.536 55.979 56.400 0.191 0.000 0.800 48 E CB 1.979 31.778 29.700 0.165 0.000 1.303 48 E HN 0.461 nan 8.360 nan 0.000 0.397 49 T N 2.766 117.407 114.554 0.145 0.000 2.888 49 T HA 0.298 4.648 4.350 -0.001 0.000 0.284 49 T C -0.725 174.041 174.700 0.110 0.000 1.017 49 T CA -0.423 61.746 62.100 0.115 0.000 1.022 49 T CB 1.534 70.457 68.868 0.093 0.000 1.013 49 T HN 0.460 nan 8.240 nan 0.000 0.465 50 Q N 3.898 123.753 119.800 0.092 0.000 2.456 50 Q HA 0.300 4.640 4.340 -0.001 0.000 0.234 50 Q C 0.729 176.772 176.000 0.072 0.000 1.061 50 Q CA -0.278 55.576 55.803 0.084 0.000 0.896 50 Q CB 0.673 29.453 28.738 0.071 0.000 1.233 50 Q HN 0.700 nan 8.270 nan 0.000 0.506 51 I N 1.893 122.506 120.570 0.072 0.000 2.353 51 I HA -0.208 3.962 4.170 -0.001 0.000 0.248 51 I C 0.518 176.664 176.117 0.048 0.000 1.119 51 I CA 0.979 62.310 61.300 0.052 0.000 1.417 51 I CB -0.100 37.924 38.000 0.039 0.000 1.078 51 I HN 0.606 nan 8.210 nan 0.000 0.421 52 N N -3.056 115.681 118.700 0.061 0.000 3.378 52 N HA 0.173 4.913 4.740 -0.001 0.000 0.294 52 N C 0.169 175.728 175.510 0.081 0.000 1.544 52 N CA -0.350 52.737 53.050 0.062 0.000 0.872 52 N CB 0.384 38.904 38.487 0.055 0.000 1.670 52 N HN -0.307 nan 8.380 nan 0.000 0.551 53 S N -0.867 114.881 115.700 0.080 0.000 2.399 53 S HA -0.086 4.384 4.470 -0.001 0.000 0.231 53 S C 0.368 175.035 174.600 0.111 0.000 1.022 53 S CA 1.318 59.567 58.200 0.083 0.000 0.983 53 S CB -0.466 62.776 63.200 0.069 0.000 0.803 53 S HN 0.559 nan 8.310 nan 0.000 0.480 54 D N 0.070 120.564 120.400 0.156 0.000 2.305 54 D HA 0.158 4.798 4.640 -0.001 0.000 0.206 54 D C 0.029 176.514 176.300 0.308 0.000 0.974 54 D CA 0.281 54.426 54.000 0.241 0.000 0.871 54 D CB 0.086 41.129 40.800 0.405 0.000 0.947 54 D HN 0.216 nan 8.370 nan 0.000 0.516 55 L N 0.607 121.954 121.223 0.207 0.000 2.333 55 L HA 0.405 4.745 4.340 -0.001 0.000 0.280 55 L C -0.684 176.271 176.870 0.141 0.000 1.004 55 L CA -0.071 54.869 54.840 0.168 0.000 0.820 55 L CB 2.103 44.182 42.059 0.033 0.000 1.247 55 L HN -0.334 nan 8.230 nan 0.000 0.416 56 T N 3.336 117.994 114.554 0.172 0.000 2.876 56 T HA 0.814 5.163 4.350 -0.001 0.000 0.289 56 T C -0.363 174.465 174.700 0.213 0.000 1.014 56 T CA -0.431 61.779 62.100 0.183 0.000 0.986 56 T CB 1.687 70.676 68.868 0.202 0.000 1.021 56 T HN 0.810 nan 8.240 nan 0.000 0.458 57 G N 1.638 110.548 108.800 0.184 0.000 2.453 57 G HA2 0.766 4.725 3.960 -0.001 0.000 0.323 57 G HA3 0.766 4.725 3.960 -0.001 0.000 0.323 57 G C -1.770 173.266 174.900 0.226 0.000 1.198 57 G CA -0.749 44.422 45.100 0.117 0.000 0.959 57 G HN 0.730 nan 8.290 nan 0.000 0.482 58 Y N -1.557 118.818 120.300 0.126 0.000 2.624 58 Y HA 0.800 5.349 4.550 -0.000 0.000 0.334 58 Y C -0.147 175.828 175.900 0.124 0.000 1.155 58 Y CA -1.293 56.885 58.100 0.129 0.000 1.046 58 Y CB 1.230 39.776 38.460 0.143 0.000 1.316 58 Y HN 0.999 nan 8.280 nan 0.000 0.457 59 G N 0.820 109.788 108.800 0.280 0.000 2.704 59 G HA2 0.561 4.521 3.960 -0.001 0.000 0.293 59 G HA3 0.561 4.521 3.960 -0.001 0.000 0.293 59 G C -2.434 172.468 174.900 0.003 0.000 1.421 59 G CA -1.011 44.148 45.100 0.098 0.000 0.870 59 G HN 0.861 nan 8.290 nan 0.000 0.492 60 Q N -0.561 118.979 119.800 -0.433 0.000 2.353 60 Q HA 0.540 4.880 4.340 -0.001 0.000 0.275 60 Q C -2.299 173.338 176.000 -0.605 0.000 1.029 60 Q CA -0.906 54.558 55.803 -0.565 0.000 0.848 60 Q CB 2.808 31.140 28.738 -0.676 0.000 1.390 60 Q HN 0.717 nan 8.270 nan 0.000 0.401 61 W N 3.561 124.291 121.300 -0.950 0.000 3.129 61 W HA 0.606 5.265 4.660 -0.001 0.000 0.333 61 W C -1.955 174.276 176.519 -0.481 0.000 1.141 61 W CA -0.307 56.623 57.345 -0.690 0.000 1.224 61 W CB 1.572 30.583 29.460 -0.749 0.000 1.393 61 W HN 0.675 nan 8.180 nan 0.000 0.499 62 E N 5.119 124.644 120.200 -1.124 0.000 2.304 62 E HA 0.298 4.647 4.350 -0.001 0.000 0.277 62 E C -2.311 173.657 176.600 -1.055 0.000 0.898 62 E CA -0.727 55.056 56.400 -1.029 0.000 0.764 62 E CB 2.127 31.598 29.700 -0.381 0.000 1.216 62 E HN 0.547 nan 8.360 nan 0.000 0.419 63 Y N 2.844 122.443 120.300 -1.168 0.000 2.598 63 Y HA 0.484 5.034 4.550 -0.001 0.000 0.340 63 Y C -0.995 174.584 175.900 -0.535 0.000 1.038 63 Y CA -0.832 56.798 58.100 -0.782 0.000 1.100 63 Y CB 1.928 39.952 38.460 -0.727 0.000 1.281 63 Y HN 0.617 nan 8.280 nan 0.000 0.488 64 N N 2.386 120.624 118.700 -0.771 0.000 2.399 64 N HA 0.356 5.096 4.740 -0.001 0.000 0.280 64 N C -2.252 172.972 175.510 -0.477 0.000 1.008 64 N CA -0.332 52.454 53.050 -0.441 0.000 0.894 64 N CB 0.529 38.779 38.487 -0.396 0.000 1.273 64 N HN 0.374 nan 8.380 nan 0.000 0.486 65 F N 2.249 122.301 119.950 0.171 0.000 2.332 65 F HA 0.362 4.889 4.527 -0.001 0.000 0.368 65 F C 0.573 176.462 175.800 0.148 0.000 1.110 65 F CA -0.648 57.473 58.000 0.202 0.000 1.087 65 F CB 1.101 40.224 39.000 0.205 0.000 1.235 65 F HN 0.298 nan 8.300 nan 0.000 0.470 66 Q N 1.398 121.326 119.800 0.212 0.000 2.386 66 Q HA 0.168 4.508 4.340 -0.001 0.000 0.282 66 Q C 1.083 177.197 176.000 0.189 0.000 1.050 66 Q CA 0.431 56.332 55.803 0.164 0.000 0.918 66 Q CB 1.099 29.878 28.738 0.067 0.000 1.266 66 Q HN 0.882 nan 8.270 nan 0.000 0.423 67 G N 1.338 110.233 108.800 0.159 0.000 3.377 67 G HA2 -0.036 3.924 3.960 -0.001 0.000 0.257 67 G HA3 -0.036 3.924 3.960 -0.001 0.000 0.257 67 G C 0.271 175.206 174.900 0.058 0.000 1.038 67 G CA -0.153 45.012 45.100 0.109 0.000 0.809 67 G HN 0.615 nan 8.290 nan 0.000 0.526 68 N N 0.262 118.985 118.700 0.039 0.000 2.338 68 N HA 0.133 4.873 4.740 -0.001 0.000 0.251 68 N C -0.363 175.148 175.510 0.001 0.000 1.199 68 N CA -0.680 52.371 53.050 0.003 0.000 0.879 68 N CB -0.027 38.438 38.487 -0.037 0.000 1.159 68 N HN -0.057 nan 8.380 nan 0.000 0.514 69 N N 0.243 118.955 118.700 0.020 0.000 2.476 69 N HA 0.262 5.001 4.740 -0.001 0.000 0.276 69 N C 0.300 175.820 175.510 0.017 0.000 1.204 69 N CA -0.357 52.704 53.050 0.017 0.000 0.974 69 N CB 1.436 39.942 38.487 0.031 0.000 1.204 69 N HN 0.335 nan 8.380 nan 0.000 0.543 70 S N -0.743 114.965 115.700 0.013 0.000 2.646 70 S HA 0.255 4.724 4.470 -0.001 0.000 0.273 70 S C 0.494 175.104 174.600 0.018 0.000 1.168 70 S CA -0.324 57.883 58.200 0.012 0.000 1.013 70 S CB 0.751 63.956 63.200 0.008 0.000 1.098 70 S HN 0.531 nan 8.310 nan 0.000 0.544 71 E N -0.154 120.055 120.200 0.014 0.000 2.465 71 E HA 0.242 4.591 4.350 -0.001 0.000 0.195 71 E C 1.065 177.674 176.600 0.014 0.000 1.028 71 E CA -0.206 56.203 56.400 0.016 0.000 0.899 71 E CB 0.046 29.752 29.700 0.011 0.000 1.032 71 E HN 0.708 nan 8.360 nan 0.000 0.468 72 G N 0.592 109.400 108.800 0.012 0.000 2.468 72 G HA2 0.128 4.088 3.960 -0.001 0.000 0.264 72 G HA3 0.128 4.088 3.960 -0.001 0.000 0.264 72 G C 1.060 175.969 174.900 0.015 0.000 1.460 72 G CA 0.223 45.329 45.100 0.011 0.000 1.060 72 G HN 0.208 nan 8.290 nan 0.000 0.543 73 A N -0.954 121.873 122.820 0.012 0.000 2.019 73 A HA 0.264 4.583 4.320 -0.001 0.000 0.219 73 A C 2.370 179.963 177.584 0.015 0.000 1.164 73 A CA 2.171 54.216 52.037 0.013 0.000 0.644 73 A CB -0.565 18.441 19.000 0.009 0.000 0.805 73 A HN 1.268 nan 8.150 nan 0.000 0.449 74 A N -0.621 122.207 122.820 0.013 0.000 2.302 74 A HA 0.531 4.850 4.320 -0.001 0.000 0.219 74 A C 1.983 179.580 177.584 0.022 0.000 1.243 74 A CA 0.995 53.039 52.037 0.013 0.000 0.856 74 A CB -0.762 18.241 19.000 0.006 0.000 0.893 74 A HN 0.846 nan 8.150 nan 0.000 0.491 75 A N -0.427 122.412 122.820 0.031 0.000 1.917 75 A HA -0.241 4.079 4.320 -0.001 0.000 0.219 75 A C 1.990 179.614 177.584 0.066 0.000 1.182 75 A CA 1.985 54.049 52.037 0.046 0.000 0.633 75 A CB -0.343 18.686 19.000 0.049 0.000 0.819 75 A HN 0.441 nan 8.150 nan 0.000 0.448 76 Q N 0.090 119.930 119.800 0.067 0.000 2.436 76 Q HA 0.038 4.378 4.340 -0.001 0.000 0.209 76 Q C 0.400 176.432 176.000 0.053 0.000 0.965 76 Q CA 0.580 56.433 55.803 0.084 0.000 0.910 76 Q CB -0.865 27.914 28.738 0.068 0.000 0.980 76 Q HN 0.611 nan 8.270 nan 0.000 0.491 77 T N 0.173 114.744 114.554 0.029 0.000 2.923 77 T HA 0.215 4.565 4.350 -0.001 0.000 0.304 77 T C 1.176 175.868 174.700 -0.013 0.000 1.044 77 T CA 1.004 63.105 62.100 0.000 0.000 1.141 77 T CB 0.245 69.108 68.868 -0.007 0.000 1.023 77 T HN 0.553 nan 8.240 nan 0.000 0.533 78 G N 2.917 111.690 108.800 -0.045 0.000 2.162 78 G HA2 -0.254 3.706 3.960 -0.001 0.000 0.260 78 G HA3 -0.254 3.706 3.960 -0.001 0.000 0.260 78 G C 0.020 174.844 174.900 -0.126 0.000 0.976 78 G CA -0.370 44.680 45.100 -0.084 0.000 0.655 78 G HN 0.696 nan 8.290 nan 0.000 0.533 79 N N 1.207 119.848 118.700 -0.099 0.000 2.455 79 N HA 0.632 5.371 4.740 -0.001 0.000 0.280 79 N C 0.179 175.492 175.510 -0.328 0.000 1.055 79 N CA 0.250 53.197 53.050 -0.172 0.000 0.961 79 N CB 1.357 39.873 38.487 0.049 0.000 1.121 79 N HN 0.838 nan 8.380 nan 0.000 0.476 80 K N -1.135 118.791 120.400 -0.790 0.000 2.711 80 K HA 0.323 4.643 4.320 -0.001 0.000 0.294 80 K C -1.442 174.410 176.600 -1.246 0.000 1.037 80 K CA -0.774 55.023 56.287 -0.817 0.000 0.858 80 K CB 0.340 32.587 32.500 -0.422 0.000 1.521 80 K HN 0.167 nan 8.250 nan 0.000 0.386 81 T N 1.910 116.085 114.554 -0.633 0.000 2.749 81 T HA 0.222 4.572 4.350 -0.001 0.000 0.295 81 T C 0.909 175.419 174.700 -0.316 0.000 0.936 81 T CA -0.337 61.574 62.100 -0.314 0.000 1.060 81 T CB 0.878 69.793 68.868 0.079 0.000 0.904 81 T HN 0.494 nan 8.240 nan 0.000 0.500 82 R N 2.358 122.646 120.500 -0.353 0.000 2.057 82 R HA 0.277 4.617 4.340 -0.001 0.000 0.224 82 R C 0.265 176.424 176.300 -0.235 0.000 1.136 82 R CA 0.737 56.661 56.100 -0.294 0.000 0.968 82 R CB 0.111 30.245 30.300 -0.277 0.000 0.863 82 R HN 0.454 nan 8.270 nan 0.000 0.433 83 L N -0.477 120.634 121.223 -0.186 0.000 2.354 83 L HA 0.701 5.041 4.340 -0.001 0.000 0.269 83 L C -1.039 175.817 176.870 -0.023 0.000 1.005 83 L CA -1.092 53.714 54.840 -0.056 0.000 0.819 83 L CB 2.283 44.358 42.059 0.028 0.000 1.311 83 L HN 0.050 nan 8.230 nan 0.000 0.423 84 A N 3.387 126.251 122.820 0.074 0.000 2.686 84 A HA 0.653 4.973 4.320 -0.001 0.000 0.299 84 A C -1.165 176.465 177.584 0.076 0.000 1.151 84 A CA -0.370 51.704 52.037 0.061 0.000 0.851 84 A CB 0.259 19.351 19.000 0.152 0.000 1.448 84 A HN 0.601 nan 8.150 nan 0.000 0.404 85 F N -0.426 119.538 119.950 0.024 0.000 2.686 85 F HA 0.963 5.489 4.527 -0.001 0.000 0.311 85 F C -0.259 175.568 175.800 0.045 0.000 1.128 85 F CA -0.822 57.178 58.000 -0.000 0.000 0.946 85 F CB 1.164 40.146 39.000 -0.029 0.000 1.336 85 F HN 0.870 nan 8.300 nan 0.000 0.457 86 A N 0.356 123.298 122.820 0.204 0.000 2.515 86 A HA 1.032 5.351 4.320 -0.001 0.000 0.296 86 A C -0.572 176.950 177.584 -0.103 0.000 1.094 86 A CA -0.424 51.629 52.037 0.028 0.000 0.718 86 A CB 1.464 20.476 19.000 0.020 0.000 1.307 86 A HN 2.040 nan 8.150 nan 0.000 0.408 87 G N -0.930 107.510 108.800 -0.600 0.000 2.550 87 G HA2 0.594 4.554 3.960 -0.001 0.000 0.293 87 G HA3 0.594 4.554 3.960 -0.001 0.000 0.293 87 G C -2.043 172.424 174.900 -0.722 0.000 1.402 87 G CA -0.618 44.095 45.100 -0.644 0.000 0.784 87 G HN 0.861 nan 8.290 nan 0.000 0.482 88 L N -0.100 121.033 121.223 -0.150 0.000 2.362 88 L HA 0.709 5.049 4.340 -0.001 0.000 0.271 88 L C -0.114 176.960 176.870 0.340 0.000 1.002 88 L CA -0.761 54.142 54.840 0.105 0.000 0.818 88 L CB 2.546 44.688 42.059 0.138 0.000 1.298 88 L HN 0.498 nan 8.230 nan 0.000 0.420 89 K N 1.647 122.265 120.400 0.363 0.000 2.413 89 K HA 0.408 4.728 4.320 -0.001 0.000 0.257 89 K C -1.896 174.892 176.600 0.313 0.000 0.946 89 K CA -0.657 55.823 56.287 0.321 0.000 0.823 89 K CB 1.203 33.864 32.500 0.268 0.000 1.109 89 K HN 0.478 nan 8.250 nan 0.000 0.427 90 Y N 4.674 125.053 120.300 0.132 0.000 2.345 90 Y HA 0.396 4.946 4.550 -0.000 0.000 0.331 90 Y C 0.384 176.339 175.900 0.092 0.000 0.959 90 Y CA -0.444 57.723 58.100 0.112 0.000 1.204 90 Y CB 0.361 38.894 38.460 0.123 0.000 1.135 90 Y HN 0.947 nan 8.280 nan 0.000 0.477 91 A N 4.226 127.107 122.820 0.102 0.000 5.458 91 A HA -0.349 3.970 4.320 -0.001 0.000 0.357 91 A C 1.248 178.767 177.584 -0.108 0.000 1.668 91 A CA 2.235 54.220 52.037 -0.085 0.000 0.806 91 A CB -1.373 17.466 19.000 -0.270 0.000 1.459 91 A HN 0.738 nan 8.150 nan 0.000 0.429 92 D N -0.698 119.617 120.400 -0.142 0.000 2.328 92 D HA 0.269 4.908 4.640 -0.001 0.000 0.221 92 D C 1.546 177.820 176.300 -0.043 0.000 1.072 92 D CA 0.792 54.750 54.000 -0.069 0.000 0.850 92 D CB 0.047 40.843 40.800 -0.007 0.000 0.922 92 D HN 0.255 nan 8.370 nan 0.000 0.516 93 V N 0.386 120.267 119.914 -0.055 0.000 2.548 93 V HA 0.133 4.253 4.120 -0.001 0.000 0.249 93 V C 1.376 177.558 176.094 0.147 0.000 1.055 93 V CA 1.319 63.706 62.300 0.145 0.000 1.065 93 V CB -0.220 31.680 31.823 0.130 0.000 0.681 93 V HN 0.403 nan 8.190 nan 0.000 0.462 94 G N -0.366 108.460 108.800 0.043 0.000 2.361 94 G HA2 0.239 4.199 3.960 -0.001 0.000 0.331 94 G HA3 0.239 4.199 3.960 -0.001 0.000 0.331 94 G C -0.651 174.264 174.900 0.024 0.000 1.324 94 G CA -0.218 44.829 45.100 -0.089 0.000 0.984 94 G HN 0.637 nan 8.290 nan 0.000 0.586 95 S N -1.176 114.463 115.700 -0.101 0.000 2.568 95 S HA 0.873 5.342 4.470 -0.001 0.000 0.302 95 S C -0.998 173.721 174.600 0.198 0.000 1.082 95 S CA -0.672 57.601 58.200 0.121 0.000 1.009 95 S CB 2.330 65.601 63.200 0.118 0.000 1.069 95 S HN 1.895 nan 8.310 nan 0.000 0.500 96 F N 1.670 121.738 119.950 0.197 0.000 2.556 96 F HA 0.699 5.226 4.527 -0.001 0.000 0.314 96 F C -1.843 174.081 175.800 0.207 0.000 1.106 96 F CA -0.535 57.596 58.000 0.219 0.000 0.911 96 F CB 1.745 40.901 39.000 0.259 0.000 1.190 96 F HN 0.912 nan 8.300 nan 0.000 0.448 97 D N 3.273 123.165 120.400 -0.847 0.000 2.655 97 D HA 0.358 4.997 4.640 -0.001 0.000 0.229 97 D C -2.171 173.780 176.300 -0.582 0.000 1.229 97 D CA -0.500 53.176 54.000 -0.539 0.000 0.807 97 D CB 1.648 42.432 40.800 -0.026 0.000 1.514 97 D HN 0.474 nan 8.370 nan 0.000 0.444 98 Y N 0.350 120.451 120.300 -0.331 0.000 2.512 98 Y HA 0.721 5.270 4.550 -0.001 0.000 0.348 98 Y C 0.172 176.099 175.900 0.045 0.000 0.990 98 Y CA 0.589 58.600 58.100 -0.149 0.000 1.033 98 Y CB 1.971 40.413 38.460 -0.030 0.000 1.259 98 Y HN 1.046 nan 8.280 nan 0.000 0.461 99 G N 3.810 112.114 108.800 -0.826 0.000 2.320 99 G HA2 0.055 4.014 3.960 -0.001 0.000 0.274 99 G HA3 0.055 4.014 3.960 -0.001 0.000 0.274 99 G C -1.786 172.929 174.900 -0.308 0.000 1.324 99 G CA -1.190 43.649 45.100 -0.435 0.000 0.957 99 G HN 0.746 nan 8.290 nan 0.000 0.481 100 R N 0.886 121.322 120.500 -0.106 0.000 2.216 100 R HA 0.560 4.900 4.340 -0.001 0.000 0.332 100 R C -0.466 175.805 176.300 -0.047 0.000 1.056 100 R CA -0.354 55.683 56.100 -0.105 0.000 0.901 100 R CB 0.269 30.521 30.300 -0.080 0.000 1.039 100 R HN 0.600 nan 8.270 nan 0.000 0.456 101 N N 2.471 121.072 118.700 -0.165 0.000 3.039 101 N HA 0.170 4.909 4.740 -0.001 0.000 0.257 101 N C -1.672 173.669 175.510 -0.282 0.000 1.497 101 N CA -0.684 52.237 53.050 -0.215 0.000 0.861 101 N CB 0.676 38.967 38.487 -0.328 0.000 1.479 101 N HN 0.290 nan 8.380 nan 0.000 0.547 102 Y N 0.598 120.796 120.300 -0.171 0.000 2.442 102 Y HA 0.311 4.861 4.550 -0.000 0.000 0.330 102 Y C 1.616 177.495 175.900 -0.035 0.000 1.129 102 Y CA 0.546 58.556 58.100 -0.151 0.000 1.365 102 Y CB 0.306 38.656 38.460 -0.185 0.000 1.233 102 Y HN 0.447 nan 8.280 nan 0.000 0.529 103 G N 1.485 110.389 108.800 0.173 0.000 2.594 103 G HA2 0.265 4.225 3.960 -0.001 0.000 0.243 103 G HA3 0.265 4.225 3.960 -0.001 0.000 0.243 103 G C 0.878 175.965 174.900 0.313 0.000 1.229 103 G CA -0.262 44.998 45.100 0.266 0.000 0.843 103 G HN 0.697 nan 8.290 nan 0.000 0.578 104 V N 0.560 120.654 119.914 0.302 0.000 2.407 104 V HA -0.160 3.959 4.120 -0.001 0.000 0.248 104 V C 2.750 178.923 176.094 0.132 0.000 1.055 104 V CA 1.466 63.855 62.300 0.148 0.000 1.049 104 V CB -1.044 30.787 31.823 0.012 0.000 0.662 104 V HN 0.400 nan 8.190 nan 0.000 0.455 105 V N -0.547 119.467 119.914 0.166 0.000 2.913 105 V HA -0.211 3.908 4.120 -0.001 0.000 0.260 105 V C 2.262 178.424 176.094 0.114 0.000 1.098 105 V CA 1.894 64.265 62.300 0.118 0.000 1.121 105 V CB -1.076 30.823 31.823 0.127 0.000 0.714 105 V HN 0.696 nan 8.190 nan 0.000 0.487 106 Y N 1.043 121.394 120.300 0.086 0.000 2.497 106 Y HA -0.167 4.382 4.550 -0.000 0.000 0.292 106 Y C 2.082 177.974 175.900 -0.013 0.000 1.137 106 Y CA 1.249 59.383 58.100 0.058 0.000 1.285 106 Y CB -0.099 38.451 38.460 0.150 0.000 0.991 106 Y HN 0.327 nan 8.280 nan 0.000 0.556 107 D N -0.049 120.346 120.400 -0.007 0.000 2.149 107 D HA -0.188 4.452 4.640 -0.001 0.000 0.198 107 D C 2.088 178.251 176.300 -0.227 0.000 0.990 107 D CA 1.484 55.440 54.000 -0.073 0.000 0.839 107 D CB -0.187 40.605 40.800 -0.013 0.000 0.948 107 D HN 0.500 nan 8.370 nan 0.000 0.460 108 A N 0.035 122.702 122.820 -0.255 0.000 1.859 108 A HA 0.068 4.387 4.320 -0.001 0.000 0.212 108 A C 2.283 179.623 177.584 -0.407 0.000 1.238 108 A CA 0.191 51.992 52.037 -0.394 0.000 0.613 108 A CB -0.832 18.038 19.000 -0.218 0.000 0.904 108 A HN 0.151 nan 8.150 nan 0.000 0.457 109 L N 0.165 121.199 121.223 -0.315 0.000 2.151 109 L HA -0.240 4.100 4.340 -0.001 0.000 0.215 109 L C 2.600 179.214 176.870 -0.426 0.000 1.084 109 L CA 1.096 55.760 54.840 -0.294 0.000 0.764 109 L CB -0.722 41.222 42.059 -0.192 0.000 0.891 109 L HN 0.548 nan 8.230 nan 0.000 0.435 110 G N -1.567 106.757 108.800 -0.794 0.000 2.470 110 G HA2 -0.280 3.679 3.960 -0.001 0.000 0.220 110 G HA3 -0.280 3.679 3.960 -0.001 0.000 0.220 110 G C 1.203 176.070 174.900 -0.056 0.000 1.121 110 G CA 0.228 44.955 45.100 -0.621 0.000 0.766 110 G HN 0.234 nan 8.290 nan 0.000 0.553 111 Y N 1.854 122.058 120.300 -0.159 0.000 2.081 111 Y HA -0.177 4.372 4.550 -0.001 0.000 0.280 111 Y C 3.209 179.164 175.900 0.091 0.000 1.163 111 Y CA 1.501 59.602 58.100 0.002 0.000 1.135 111 Y CB -0.957 37.496 38.460 -0.011 0.000 0.970 111 Y HN 0.323 nan 8.280 nan 0.000 0.498 112 T N -3.042 111.629 114.554 0.196 0.000 3.122 112 T HA 0.041 4.391 4.350 -0.001 0.000 0.250 112 T C 0.460 175.208 174.700 0.081 0.000 1.067 112 T CA 0.309 62.496 62.100 0.145 0.000 0.966 112 T CB -0.227 68.697 68.868 0.093 0.000 1.002 112 T HN 0.014 nan 8.240 nan 0.000 0.542 113 D N 1.457 121.883 120.400 0.043 0.000 2.896 113 D HA 0.225 4.865 4.640 -0.001 0.000 0.240 113 D C 0.470 176.776 176.300 0.010 0.000 1.193 113 D CA -0.302 53.722 54.000 0.040 0.000 0.983 113 D CB -0.326 40.508 40.800 0.056 0.000 1.074 113 D HN 0.338 nan 8.370 nan 0.000 0.496 114 M N 1.692 121.287 119.600 -0.008 0.000 2.821 114 M HA 0.137 4.617 4.480 -0.001 0.000 0.432 114 M C -0.224 176.040 176.300 -0.059 0.000 1.291 114 M CA -0.269 54.982 55.300 -0.082 0.000 0.838 114 M CB 0.368 32.843 32.600 -0.208 0.000 1.505 114 M HN 0.028 nan 8.290 nan 0.000 0.523 115 L N 1.745 122.964 121.223 -0.007 0.000 2.475 115 L HA 0.245 4.585 4.340 -0.001 0.000 0.253 115 L C -0.729 176.076 176.870 -0.108 0.000 1.198 115 L CA -1.494 53.344 54.840 -0.003 0.000 0.814 115 L CB -0.211 41.900 42.059 0.086 0.000 1.134 115 L HN -0.060 nan 8.230 nan 0.000 0.478 116 P HA -0.172 nan 4.420 nan 0.000 0.217 116 P C 0.717 177.622 177.300 -0.659 0.000 1.150 116 P CA 1.460 64.304 63.100 -0.425 0.000 0.832 116 P CB 0.424 31.935 31.700 -0.315 0.000 0.787 117 E N -2.565 117.380 120.200 -0.425 0.000 2.879 117 E HA 0.142 4.492 4.350 -0.001 0.000 0.206 117 E C 0.715 177.039 176.600 -0.460 0.000 0.969 117 E CA 0.042 56.163 56.400 -0.465 0.000 1.496 117 E CB -0.279 29.104 29.700 -0.529 0.000 1.454 117 E HN -0.055 nan 8.360 nan 0.000 0.750 118 F N 0.725 120.699 119.950 0.039 0.000 2.433 118 F HA 0.712 5.239 4.527 -0.001 0.000 0.288 118 F C 1.529 177.377 175.800 0.080 0.000 0.996 118 F CA 0.295 58.336 58.000 0.068 0.000 1.104 118 F CB -0.333 38.700 39.000 0.055 0.000 1.946 118 F HN 0.196 nan 8.300 nan 0.000 0.583 119 G N -0.943 108.087 108.800 0.384 0.000 2.698 119 G HA2 0.327 4.287 3.960 -0.001 0.000 0.225 119 G HA3 0.327 4.287 3.960 -0.001 0.000 0.225 119 G C 0.485 175.493 174.900 0.179 0.000 1.345 119 G CA -0.162 45.105 45.100 0.277 0.000 0.871 119 G HN 1.851 nan 8.290 nan 0.000 0.540 120 G N -1.062 107.805 108.800 0.110 0.000 2.390 120 G HA2 -0.172 3.788 3.960 -0.001 0.000 0.299 120 G HA3 -0.172 3.788 3.960 -0.001 0.000 0.299 120 G C 0.635 175.537 174.900 0.003 0.000 1.002 120 G CA 1.522 46.662 45.100 0.067 0.000 0.979 120 G HN 1.299 nan 8.290 nan 0.000 0.513 121 D N -0.645 119.753 120.400 -0.005 0.000 2.219 121 D HA 0.002 4.641 4.640 -0.001 0.000 0.205 121 D C 2.650 178.727 176.300 -0.371 0.000 0.970 121 D CA 1.825 55.765 54.000 -0.100 0.000 0.851 121 D CB -0.008 40.822 40.800 0.051 0.000 0.943 121 D HN 0.591 nan 8.370 nan 0.000 0.488 122 T N -2.152 112.255 114.554 -0.245 0.000 3.081 122 T HA 0.211 4.561 4.350 -0.001 0.000 0.255 122 T C 1.476 176.055 174.700 -0.200 0.000 1.113 122 T CA 0.138 62.090 62.100 -0.247 0.000 1.082 122 T CB -0.021 68.806 68.868 -0.068 0.000 0.939 122 T HN 0.054 nan 8.240 nan 0.000 0.506 123 A N 1.503 124.254 122.820 -0.115 0.000 2.863 123 A HA 0.382 4.701 4.320 -0.001 0.000 0.246 123 A C -0.327 177.242 177.584 -0.026 0.000 1.772 123 A CA -0.646 51.432 52.037 0.068 0.000 1.456 123 A CB -1.702 17.458 19.000 0.267 0.000 0.930 123 A HN 0.608 nan 8.150 nan 0.000 0.630 124 Y N -0.019 120.328 120.300 0.077 0.000 2.652 124 Y HA 0.129 4.678 4.550 -0.001 0.000 0.344 124 Y C 1.366 177.260 175.900 -0.009 0.000 1.254 124 Y CA 0.365 58.483 58.100 0.030 0.000 1.480 124 Y CB 0.315 38.791 38.460 0.028 0.000 1.345 124 Y HN 0.303 nan 8.280 nan 0.000 0.617 125 S N 1.719 117.482 115.700 0.104 0.000 2.592 125 S HA 0.036 4.505 4.470 -0.001 0.000 0.271 125 S C -0.287 174.296 174.600 -0.030 0.000 1.326 125 S CA -0.642 57.544 58.200 -0.022 0.000 1.024 125 S CB 0.064 63.220 63.200 -0.075 0.000 0.921 125 S HN 0.753 nan 8.310 nan 0.000 0.527 126 D N 1.659 121.994 120.400 -0.109 0.000 2.704 126 D HA -0.174 4.465 4.640 -0.001 0.000 0.232 126 D C -0.590 175.612 176.300 -0.163 0.000 1.183 126 D CA 0.892 54.799 54.000 -0.154 0.000 0.647 126 D CB -0.786 39.927 40.800 -0.145 0.000 1.013 126 D HN 0.525 nan 8.370 nan 0.000 0.415 127 D N -0.853 119.476 120.400 -0.119 0.000 2.772 127 D HA 0.283 4.923 4.640 -0.001 0.000 0.326 127 D C 0.674 176.987 176.300 0.022 0.000 1.207 127 D CA -0.594 53.367 54.000 -0.065 0.000 0.777 127 D CB -0.039 40.833 40.800 0.120 0.000 1.169 127 D HN 0.028 nan 8.370 nan 0.000 0.506 128 F N -0.576 119.264 119.950 -0.183 0.000 2.507 128 F HA -0.391 4.136 4.527 -0.001 0.000 0.745 128 F C 0.994 176.514 175.800 -0.467 0.000 0.517 128 F CA 1.318 59.094 58.000 -0.373 0.000 0.793 128 F CB -1.255 37.600 39.000 -0.242 0.000 1.733 128 F HN 0.186 nan 8.300 nan 0.000 0.275 129 F N -0.387 119.686 119.950 0.204 0.000 2.728 129 F HA 0.278 4.805 4.527 -0.000 0.000 0.314 129 F C 1.591 177.474 175.800 0.139 0.000 1.094 129 F CA 0.535 58.607 58.000 0.120 0.000 1.217 129 F CB 0.067 39.113 39.000 0.077 0.000 1.056 129 F HN 0.131 nan 8.300 nan 0.000 0.577 130 V N -2.267 117.831 119.914 0.307 0.000 2.591 130 V HA 0.350 4.469 4.120 -0.001 0.000 0.249 130 V C 1.127 177.417 176.094 0.328 0.000 1.053 130 V CA 1.275 63.755 62.300 0.300 0.000 1.068 130 V CB -1.083 30.898 31.823 0.263 0.000 0.689 130 V HN 0.130 nan 8.190 nan 0.000 0.462 131 G N -0.517 108.398 108.800 0.192 0.000 3.251 131 G HA2 0.534 4.494 3.960 -0.001 0.000 0.248 131 G HA3 0.534 4.494 3.960 -0.001 0.000 0.248 131 G C -0.835 173.980 174.900 -0.142 0.000 1.320 131 G CA -1.409 43.726 45.100 0.058 0.000 0.982 131 G HN 0.256 nan 8.290 nan 0.000 0.575 132 R N -0.418 119.830 120.500 -0.421 0.000 2.449 132 R HA 0.393 4.733 4.340 -0.001 0.000 0.296 132 R C -0.273 175.841 176.300 -0.309 0.000 1.047 132 R CA -0.052 55.710 56.100 -0.563 0.000 1.018 132 R CB 0.843 30.700 30.300 -0.738 0.000 0.962 132 R HN 0.296 nan 8.270 nan 0.000 0.428 133 V N 0.514 120.274 119.914 -0.258 0.000 3.158 133 V HA 0.732 4.852 4.120 -0.001 0.000 0.315 133 V C 0.601 176.578 176.094 -0.195 0.000 1.148 133 V CA -1.193 60.980 62.300 -0.212 0.000 1.042 133 V CB 1.916 33.616 31.823 -0.204 0.000 1.101 133 V HN 0.838 nan 8.190 nan 0.000 0.448 134 G N -1.002 107.694 108.800 -0.174 0.000 2.417 134 G HA2 0.585 4.545 3.960 -0.001 0.000 0.334 134 G HA3 0.585 4.545 3.960 -0.001 0.000 0.334 134 G C 0.629 175.444 174.900 -0.142 0.000 1.150 134 G CA -0.255 44.753 45.100 -0.154 0.000 0.923 134 G HN 2.061 nan 8.290 nan 0.000 0.485 135 G N -1.225 107.463 108.800 -0.187 0.000 2.182 135 G HA2 0.069 4.029 3.960 -0.001 0.000 0.248 135 G HA3 0.069 4.029 3.960 -0.001 0.000 0.248 135 G C 0.220 175.087 174.900 -0.055 0.000 1.042 135 G CA 0.473 45.492 45.100 -0.135 0.000 0.775 135 G HN 1.953 nan 8.290 nan 0.000 0.501 136 V N -2.485 117.336 119.914 -0.155 0.000 2.472 136 V HA 0.937 5.056 4.120 -0.001 0.000 0.290 136 V C 0.442 176.617 176.094 0.135 0.000 1.037 136 V CA -0.596 61.734 62.300 0.049 0.000 0.908 136 V CB 1.801 33.638 31.823 0.023 0.000 0.985 136 V HN 1.699 nan 8.190 nan 0.000 0.454 137 A N 3.392 126.443 122.820 0.385 0.000 2.260 137 A HA 0.775 5.095 4.320 -0.001 0.000 0.314 137 A C 0.233 178.013 177.584 0.327 0.000 1.257 137 A CA -0.368 51.936 52.037 0.445 0.000 0.871 137 A CB 0.528 19.936 19.000 0.680 0.000 1.166 137 A HN 0.997 nan 8.150 nan 0.000 0.522 138 T N 2.400 117.012 114.554 0.097 0.000 2.841 138 T HA 0.426 4.775 4.350 -0.001 0.000 0.285 138 T C -1.316 173.515 174.700 0.219 0.000 0.991 138 T CA -0.091 62.091 62.100 0.137 0.000 0.966 138 T CB 0.687 69.553 68.868 -0.004 0.000 0.962 138 T HN 0.509 nan 8.240 nan 0.000 0.438 139 Y N 3.636 124.080 120.300 0.240 0.000 2.331 139 Y HA 0.657 5.207 4.550 -0.001 0.000 0.338 139 Y C -0.173 175.745 175.900 0.029 0.000 0.992 139 Y CA -0.963 57.279 58.100 0.236 0.000 1.121 139 Y CB 0.769 39.408 38.460 0.298 0.000 1.184 139 Y HN 0.500 nan 8.280 nan 0.000 0.469 140 R N 5.070 125.065 120.500 -0.841 0.000 2.575 140 R HA 0.327 4.667 4.340 -0.001 0.000 0.293 140 R C -1.394 174.304 176.300 -1.004 0.000 0.983 140 R CA -0.994 54.671 56.100 -0.725 0.000 0.887 140 R CB 1.815 31.892 30.300 -0.371 0.000 1.184 140 R HN 0.710 nan 8.270 nan 0.000 0.445 141 N N 0.953 119.051 118.700 -1.003 0.000 2.284 141 N HA 0.321 5.061 4.740 -0.001 0.000 0.300 141 N C -1.399 173.802 175.510 -0.516 0.000 1.047 141 N CA -0.284 52.249 53.050 -0.862 0.000 0.821 141 N CB 2.055 39.820 38.487 -1.203 0.000 1.337 141 N HN 0.450 nan 8.380 nan 0.000 0.482 142 S N 1.931 117.433 115.700 -0.329 0.000 2.501 142 S HA 0.357 4.827 4.470 -0.001 0.000 0.301 142 S C -0.089 174.479 174.600 -0.054 0.000 1.096 142 S CA -0.688 57.423 58.200 -0.148 0.000 1.063 142 S CB 0.962 64.096 63.200 -0.110 0.000 1.042 142 S HN 0.723 nan 8.310 nan 0.000 0.494 143 N N 0.955 119.696 118.700 0.068 0.000 2.735 143 N HA -0.214 4.526 4.740 -0.001 0.000 0.248 143 N C -0.234 175.422 175.510 0.243 0.000 1.083 143 N CA 0.570 53.711 53.050 0.152 0.000 0.703 143 N CB -1.786 36.761 38.487 0.101 0.000 1.005 143 N HN 0.812 nan 8.380 nan 0.000 0.550 144 F N 0.025 120.021 119.950 0.076 0.000 2.489 144 F HA -0.320 4.206 4.527 -0.000 0.000 0.203 144 F C 0.106 176.038 175.800 0.220 0.000 1.030 144 F CA 0.940 59.038 58.000 0.163 0.000 0.877 144 F CB -1.494 37.661 39.000 0.258 0.000 0.855 144 F HN 0.267 nan 8.300 nan 0.000 0.832 145 F N 0.746 120.678 119.950 -0.030 0.000 3.057 145 F HA -0.195 4.332 4.527 -0.001 0.000 0.287 145 F C 1.522 177.330 175.800 0.013 0.000 0.834 145 F CA 1.467 59.429 58.000 -0.064 0.000 1.147 145 F CB -1.477 37.420 39.000 -0.171 0.000 1.245 145 F HN 1.069 nan 8.300 nan 0.000 0.509 146 G N -0.758 108.114 108.800 0.120 0.000 2.184 146 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.264 146 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.264 146 G C 0.865 175.863 174.900 0.163 0.000 0.975 146 G CA 0.443 45.612 45.100 0.116 0.000 0.642 146 G HN 0.567 nan 8.290 nan 0.000 0.536 147 L N -0.786 120.585 121.223 0.248 0.000 2.408 147 L HA 0.356 4.696 4.340 -0.001 0.000 0.215 147 L C 0.678 177.690 176.870 0.237 0.000 1.081 147 L CA 0.402 55.391 54.840 0.249 0.000 0.840 147 L CB 0.522 42.776 42.059 0.325 0.000 1.002 147 L HN 0.105 nan 8.230 nan 0.000 0.468 148 V N 0.489 120.569 119.914 0.276 0.000 2.385 148 V HA 0.206 4.326 4.120 -0.001 0.000 0.277 148 V C -0.877 175.349 176.094 0.219 0.000 1.012 148 V CA -0.934 61.496 62.300 0.217 0.000 0.832 148 V CB 1.289 33.217 31.823 0.174 0.000 1.028 148 V HN 0.038 nan 8.190 nan 0.000 0.436 149 D N 3.808 124.319 120.400 0.184 0.000 2.531 149 D HA 0.300 4.940 4.640 -0.001 0.000 0.239 149 D C 1.324 177.742 176.300 0.197 0.000 1.144 149 D CA 2.061 56.158 54.000 0.162 0.000 0.869 149 D CB 1.191 42.075 40.800 0.139 0.000 1.160 149 D HN 0.964 nan 8.370 nan 0.000 0.484 150 G N 1.774 110.652 108.800 0.130 0.000 2.199 150 G HA2 -0.275 3.684 3.960 -0.001 0.000 0.254 150 G HA3 -0.275 3.684 3.960 -0.001 0.000 0.254 150 G C 0.155 175.153 174.900 0.164 0.000 0.982 150 G CA 0.225 45.361 45.100 0.060 0.000 0.632 150 G HN 0.509 nan 8.290 nan 0.000 0.529 151 L N 1.623 123.027 121.223 0.303 0.000 2.265 151 L HA 0.813 5.153 4.340 -0.001 0.000 0.289 151 L C -0.642 176.409 176.870 0.303 0.000 1.033 151 L CA -1.144 53.917 54.840 0.367 0.000 0.814 151 L CB 0.960 43.205 42.059 0.309 0.000 1.203 151 L HN 0.152 nan 8.230 nan 0.000 0.423 152 N N 4.567 123.429 118.700 0.271 0.000 2.380 152 N HA 0.726 5.466 4.740 -0.001 0.000 0.290 152 N C -1.203 174.498 175.510 0.318 0.000 1.236 152 N CA -0.172 52.999 53.050 0.202 0.000 0.780 152 N CB 2.005 40.529 38.487 0.062 0.000 1.438 152 N HN 0.546 nan 8.380 nan 0.000 0.491 153 F N -1.915 118.070 119.950 0.058 0.000 2.779 153 F HA 0.907 5.434 4.527 -0.001 0.000 0.316 153 F C -1.724 174.099 175.800 0.037 0.000 1.164 153 F CA -1.231 56.813 58.000 0.074 0.000 0.924 153 F CB 0.995 40.077 39.000 0.136 0.000 1.348 153 F HN 0.559 nan 8.300 nan 0.000 0.467 154 A N 0.976 123.892 122.820 0.160 0.000 2.589 154 A HA 0.758 5.078 4.320 -0.001 0.000 0.296 154 A C -2.135 175.583 177.584 0.223 0.000 1.062 154 A CA -0.362 51.701 52.037 0.044 0.000 0.686 154 A CB 1.491 20.475 19.000 -0.027 0.000 1.282 154 A HN 2.071 nan 8.150 nan 0.000 0.404 155 V N 0.866 120.929 119.914 0.249 0.000 2.864 155 V HA 0.868 4.987 4.120 -0.001 0.000 0.314 155 V C -0.813 175.307 176.094 0.043 0.000 1.073 155 V CA -0.347 62.026 62.300 0.123 0.000 0.956 155 V CB 1.860 33.779 31.823 0.160 0.000 1.023 155 V HN 1.074 nan 8.190 nan 0.000 0.435 156 Q N 3.268 122.980 119.800 -0.147 0.000 2.289 156 Q HA 0.460 4.800 4.340 -0.001 0.000 0.270 156 Q C -2.348 173.567 176.000 -0.142 0.000 1.038 156 Q CA -0.601 55.191 55.803 -0.017 0.000 0.812 156 Q CB 2.318 31.125 28.738 0.116 0.000 1.300 156 Q HN 0.835 nan 8.270 nan 0.000 0.427 157 Y N 2.530 123.008 120.300 0.296 0.000 2.331 157 Y HA 0.433 4.983 4.550 -0.001 0.000 0.338 157 Y C -0.418 175.645 175.900 0.272 0.000 0.976 157 Y CA -0.806 57.462 58.100 0.280 0.000 1.137 157 Y CB 1.394 39.997 38.460 0.238 0.000 1.172 157 Y HN 0.494 nan 8.280 nan 0.000 0.478 158 L N 3.910 125.356 121.223 0.372 0.000 2.280 158 L HA 0.767 5.106 4.340 -0.001 0.000 0.287 158 L C 0.220 177.188 176.870 0.164 0.000 1.023 158 L CA -0.215 54.740 54.840 0.192 0.000 0.819 158 L CB 0.765 42.815 42.059 -0.015 0.000 1.212 158 L HN 0.695 nan 8.230 nan 0.000 0.420 159 G N 3.405 112.293 108.800 0.146 0.000 2.444 159 G HA2 0.238 4.198 3.960 -0.001 0.000 0.268 159 G HA3 0.238 4.198 3.960 -0.001 0.000 0.268 159 G C -0.628 174.303 174.900 0.053 0.000 1.203 159 G CA -0.719 44.452 45.100 0.119 0.000 0.835 159 G HN 0.854 nan 8.290 nan 0.000 0.543 160 K N 0.952 121.383 120.400 0.051 0.000 2.524 160 K HA -0.009 4.311 4.320 -0.001 0.000 0.279 160 K C -0.505 176.095 176.600 -0.001 0.000 0.993 160 K CA 0.339 56.639 56.287 0.021 0.000 1.030 160 K CB 0.204 32.723 32.500 0.032 0.000 0.891 160 K HN 0.421 nan 8.250 nan 0.000 0.488 161 N N 4.374 123.052 118.700 -0.037 0.000 2.716 161 N HA 0.052 4.792 4.740 -0.001 0.000 0.253 161 N C -1.445 174.034 175.510 -0.051 0.000 1.170 161 N CA -0.419 52.603 53.050 -0.048 0.000 0.807 161 N CB 1.494 39.931 38.487 -0.082 0.000 1.183 161 N HN 0.625 nan 8.380 nan 0.000 0.524 162 E N 2.103 122.288 120.200 -0.025 0.000 1.791 162 E HA 0.081 4.430 4.350 -0.001 0.000 0.263 162 E C 0.082 176.668 176.600 -0.023 0.000 1.213 162 E CA 0.053 56.441 56.400 -0.020 0.000 0.991 162 E CB 0.576 30.273 29.700 -0.004 0.000 1.068 162 E HN 0.196 nan 8.360 nan 0.000 0.417 163 R N 1.604 122.083 120.500 -0.035 0.000 2.541 163 R HA 0.137 4.477 4.340 -0.001 0.000 0.263 163 R C 0.861 177.148 176.300 -0.022 0.000 1.112 163 R CA -0.629 55.451 56.100 -0.034 0.000 1.170 163 R CB 0.555 30.824 30.300 -0.052 0.000 1.167 163 R HN 0.449 nan 8.270 nan 0.000 0.582 164 D N 0.409 120.796 120.400 -0.021 0.000 2.178 164 D HA -0.073 4.566 4.640 -0.001 0.000 0.201 164 D C -0.089 176.204 176.300 -0.013 0.000 0.980 164 D CA 1.546 55.537 54.000 -0.015 0.000 0.842 164 D CB 0.333 41.123 40.800 -0.017 0.000 0.948 164 D HN 0.324 nan 8.370 nan 0.000 0.472 165 T N -0.404 114.140 114.554 -0.017 0.000 2.807 165 T HA 0.417 4.766 4.350 -0.001 0.000 0.279 165 T C 0.905 175.608 174.700 0.006 0.000 0.993 165 T CA -0.515 61.576 62.100 -0.015 0.000 0.970 165 T CB 2.179 71.029 68.868 -0.031 0.000 0.950 165 T HN -0.090 nan 8.240 nan 0.000 0.441 166 A N 3.137 125.976 122.820 0.031 0.000 1.933 166 A HA -0.086 4.233 4.320 -0.001 0.000 0.218 166 A C 2.200 179.889 177.584 0.174 0.000 1.175 166 A CA 1.554 53.661 52.037 0.116 0.000 0.628 166 A CB -0.456 18.639 19.000 0.158 0.000 0.814 166 A HN 0.669 nan 8.150 nan 0.000 0.444 167 R N 0.280 120.809 120.500 0.048 0.000 2.170 167 R HA -0.085 4.255 4.340 -0.001 0.000 0.242 167 R C 1.252 177.566 176.300 0.023 0.000 1.145 167 R CA 1.714 57.828 56.100 0.023 0.000 0.984 167 R CB -0.256 29.991 30.300 -0.089 0.000 0.869 167 R HN 0.485 nan 8.270 nan 0.000 0.455 168 R N -0.255 120.226 120.500 -0.032 0.000 2.577 168 R HA 0.320 4.660 4.340 -0.001 0.000 0.344 168 R C -0.307 175.904 176.300 -0.148 0.000 1.037 168 R CA -0.071 55.970 56.100 -0.098 0.000 1.102 168 R CB 0.967 31.214 30.300 -0.088 0.000 1.313 168 R HN 0.037 nan 8.270 nan 0.000 0.561 169 S N 1.997 117.609 115.700 -0.147 0.000 2.738 169 S HA 0.471 4.941 4.470 -0.001 0.000 0.284 169 S C 0.010 174.398 174.600 -0.354 0.000 1.146 169 S CA -0.732 57.361 58.200 -0.177 0.000 0.997 169 S CB 1.313 64.464 63.200 -0.081 0.000 1.081 169 S HN 0.443 nan 8.310 nan 0.000 0.553 170 N N -0.874 117.666 118.700 -0.266 0.000 3.049 170 N HA 0.262 5.001 4.740 -0.001 0.000 0.244 170 N C -0.597 174.885 175.510 -0.047 0.000 1.203 170 N CA -0.837 52.043 53.050 -0.282 0.000 0.945 170 N CB 0.852 39.026 38.487 -0.522 0.000 1.616 170 N HN 0.659 nan 8.380 nan 0.000 0.505 171 G N -0.095 108.755 108.800 0.084 0.000 2.531 171 G HA2 0.300 4.259 3.960 -0.001 0.000 0.281 171 G HA3 0.300 4.259 3.960 -0.001 0.000 0.281 171 G C -0.562 174.390 174.900 0.086 0.000 1.382 171 G CA -0.464 44.680 45.100 0.073 0.000 1.045 171 G HN 0.666 nan 8.290 nan 0.000 0.533 172 D N -0.259 120.197 120.400 0.094 0.000 2.341 172 D HA 0.485 5.124 4.640 -0.001 0.000 0.245 172 D C 0.302 176.699 176.300 0.162 0.000 1.106 172 D CA 0.547 54.621 54.000 0.123 0.000 0.905 172 D CB 1.617 42.490 40.800 0.123 0.000 1.202 172 D HN 0.542 nan 8.370 nan 0.000 0.426 173 G N -0.445 108.487 108.800 0.221 0.000 2.684 173 G HA2 0.539 4.498 3.960 -0.001 0.000 0.290 173 G HA3 0.539 4.498 3.960 -0.001 0.000 0.290 173 G C -1.437 173.722 174.900 0.430 0.000 1.425 173 G CA -0.454 44.832 45.100 0.311 0.000 0.822 173 G HN 0.338 nan 8.290 nan 0.000 0.482 174 V N -0.718 119.415 119.914 0.366 0.000 2.876 174 V HA 0.976 5.095 4.120 -0.001 0.000 0.312 174 V C 0.473 176.445 176.094 -0.203 0.000 1.085 174 V CA 0.066 62.450 62.300 0.140 0.000 0.945 174 V CB 1.865 33.723 31.823 0.059 0.000 1.017 174 V HN 1.458 nan 8.190 nan 0.000 0.428 175 G N 0.614 109.155 108.800 -0.432 0.000 2.684 175 G HA2 0.841 4.800 3.960 -0.001 0.000 0.290 175 G HA3 0.841 4.800 3.960 -0.001 0.000 0.290 175 G C -0.780 173.939 174.900 -0.301 0.000 1.425 175 G CA -0.131 44.564 45.100 -0.676 0.000 0.822 175 G HN 1.203 nan 8.290 nan 0.000 0.482 176 G N -1.197 107.501 108.800 -0.170 0.000 2.660 176 G HA2 0.799 4.758 3.960 -0.001 0.000 0.290 176 G HA3 0.799 4.758 3.960 -0.001 0.000 0.290 176 G C -0.899 174.020 174.900 0.032 0.000 1.432 176 G CA 0.328 45.424 45.100 -0.008 0.000 0.807 176 G HN 1.776 nan 8.290 nan 0.000 0.485 177 S N -0.766 114.991 115.700 0.096 0.000 2.536 177 S HA 0.780 5.250 4.470 -0.001 0.000 0.271 177 S C -1.035 173.657 174.600 0.153 0.000 1.134 177 S CA -0.762 57.493 58.200 0.092 0.000 0.897 177 S CB 1.523 64.758 63.200 0.058 0.000 1.094 177 S HN 0.726 nan 8.310 nan 0.000 0.473 178 I N 2.497 123.144 120.570 0.128 0.000 2.646 178 I HA 0.754 4.924 4.170 -0.001 0.000 0.299 178 I C -0.307 175.891 176.117 0.135 0.000 1.036 178 I CA -0.720 60.678 61.300 0.164 0.000 1.074 178 I CB 2.376 40.444 38.000 0.113 0.000 1.258 178 I HN 0.951 nan 8.210 nan 0.000 0.430 179 S N 4.209 120.013 115.700 0.174 0.000 2.535 179 S HA 0.592 5.062 4.470 -0.001 0.000 0.272 179 S C -1.714 173.036 174.600 0.250 0.000 1.149 179 S CA -0.728 57.575 58.200 0.173 0.000 0.888 179 S CB 1.999 65.275 63.200 0.126 0.000 1.110 179 S HN 0.581 nan 8.310 nan 0.000 0.463 180 Y N 1.233 121.601 120.300 0.114 0.000 2.406 180 Y HA 0.649 5.198 4.550 -0.001 0.000 0.340 180 Y C -0.873 175.120 175.900 0.156 0.000 0.975 180 Y CA -0.540 57.632 58.100 0.120 0.000 1.056 180 Y CB 1.826 40.338 38.460 0.086 0.000 1.210 180 Y HN 0.895 nan 8.280 nan 0.000 0.448 181 E N 4.937 124.815 120.200 -0.536 0.000 2.266 181 E HA 0.338 4.688 4.350 -0.001 0.000 0.268 181 E C -2.196 174.146 176.600 -0.430 0.000 0.879 181 E CA -1.126 55.081 56.400 -0.323 0.000 0.762 181 E CB 3.147 32.757 29.700 -0.150 0.000 1.199 181 E HN 0.607 nan 8.360 nan 0.000 0.422 182 Y N 1.462 121.604 120.300 -0.264 0.000 2.275 182 Y HA 0.073 4.622 4.550 -0.001 0.000 0.319 182 Y C -0.486 175.474 175.900 0.100 0.000 1.204 182 Y CA -0.360 57.671 58.100 -0.116 0.000 1.136 182 Y CB 0.859 39.279 38.460 -0.068 0.000 1.228 182 Y HN 0.808 nan 8.280 nan 0.000 0.413 183 E N 4.560 124.465 120.200 -0.491 0.000 2.320 183 E HA -0.236 4.114 4.350 -0.001 0.000 0.234 183 E C 0.984 177.528 176.600 -0.094 0.000 1.183 183 E CA 1.348 57.576 56.400 -0.288 0.000 0.713 183 E CB -1.189 28.350 29.700 -0.268 0.000 1.226 183 E HN 1.619 nan 8.360 nan 0.000 0.382 184 G N -1.057 107.621 108.800 -0.204 0.000 2.225 184 G HA2 -0.336 3.623 3.960 -0.001 0.000 0.254 184 G HA3 -0.336 3.623 3.960 -0.001 0.000 0.254 184 G C 0.019 174.666 174.900 -0.422 0.000 0.988 184 G CA 0.287 45.151 45.100 -0.393 0.000 0.625 184 G HN 0.301 nan 8.290 nan 0.000 0.527 185 F N 1.297 121.264 119.950 0.028 0.000 2.399 185 F HA 0.630 5.157 4.527 -0.001 0.000 0.334 185 F C 0.937 176.741 175.800 0.006 0.000 1.097 185 F CA 0.066 58.115 58.000 0.081 0.000 1.076 185 F CB 2.048 41.141 39.000 0.155 0.000 1.162 185 F HN 0.267 nan 8.300 nan 0.000 0.495 186 G N 3.487 112.389 108.800 0.169 0.000 2.643 186 G HA2 0.642 4.602 3.960 -0.001 0.000 0.305 186 G HA3 0.642 4.602 3.960 -0.001 0.000 0.305 186 G C -1.917 173.166 174.900 0.306 0.000 1.387 186 G CA -0.559 44.634 45.100 0.154 0.000 0.982 186 G HN 0.706 nan 8.290 nan 0.000 0.501 187 I N 2.049 122.798 120.570 0.298 0.000 2.608 187 I HA 0.758 4.927 4.170 -0.001 0.000 0.295 187 I C -0.904 175.329 176.117 0.193 0.000 1.049 187 I CA -1.026 60.437 61.300 0.270 0.000 1.063 187 I CB 2.257 40.394 38.000 0.228 0.000 1.248 187 I HN 0.370 nan 8.210 nan 0.000 0.424 188 V N 3.753 123.707 119.914 0.067 0.000 3.007 188 V HA 0.915 5.035 4.120 -0.001 0.000 0.311 188 V C -0.145 175.949 176.094 0.000 0.000 1.120 188 V CA -0.587 61.704 62.300 -0.015 0.000 0.980 188 V CB 1.419 33.105 31.823 -0.227 0.000 1.033 188 V HN 0.888 nan 8.190 nan 0.000 0.429 189 G N 0.442 109.259 108.800 0.028 0.000 2.662 189 G HA2 0.891 4.850 3.960 -0.001 0.000 0.302 189 G HA3 0.891 4.850 3.960 -0.001 0.000 0.302 189 G C -0.969 173.973 174.900 0.069 0.000 1.389 189 G CA -0.214 44.922 45.100 0.060 0.000 0.998 189 G HN 1.402 nan 8.290 nan 0.000 0.502 190 A N 1.013 123.903 122.820 0.117 0.000 2.498 190 A HA 0.890 5.209 4.320 -0.001 0.000 0.298 190 A C -1.905 175.813 177.584 0.223 0.000 1.075 190 A CA -0.792 51.312 52.037 0.111 0.000 0.714 190 A CB 2.013 21.045 19.000 0.053 0.000 1.299 190 A HN 1.622 nan 8.150 nan 0.000 0.407 191 Y N 0.185 120.476 120.300 -0.015 0.000 2.436 191 Y HA 0.570 5.120 4.550 -0.001 0.000 0.327 191 Y C -0.213 175.560 175.900 -0.212 0.000 1.138 191 Y CA 0.071 58.165 58.100 -0.010 0.000 1.042 191 Y CB 1.627 40.080 38.460 -0.011 0.000 1.302 191 Y HN 1.197 nan 8.280 nan 0.000 0.439 192 G N 2.509 110.771 108.800 -0.898 0.000 2.612 192 G HA2 0.815 4.774 3.960 -0.001 0.000 0.298 192 G HA3 0.815 4.774 3.960 -0.001 0.000 0.298 192 G C -2.009 172.426 174.900 -0.775 0.000 1.336 192 G CA -0.480 43.963 45.100 -1.095 0.000 0.953 192 G HN 1.047 nan 8.290 nan 0.000 0.482 193 A N -0.345 122.266 122.820 -0.348 0.000 2.498 193 A HA 1.045 5.364 4.320 -0.001 0.000 0.298 193 A C -0.269 177.396 177.584 0.136 0.000 1.075 193 A CA -0.082 51.894 52.037 -0.101 0.000 0.714 193 A CB 1.858 20.825 19.000 -0.055 0.000 1.299 193 A HN 2.301 nan 8.150 nan 0.000 0.407 194 A N 0.890 123.724 122.820 0.023 0.000 2.594 194 A HA 0.728 5.047 4.320 -0.001 0.000 0.291 194 A C -1.516 176.068 177.584 -0.001 0.000 1.105 194 A CA -0.697 51.384 52.037 0.073 0.000 0.694 194 A CB 0.951 20.033 19.000 0.137 0.000 1.291 194 A HN 0.700 nan 8.150 nan 0.000 0.410 195 D N 1.261 121.698 120.400 0.062 0.000 2.341 195 D HA 0.370 5.010 4.640 -0.001 0.000 0.245 195 D C -0.016 176.332 176.300 0.080 0.000 1.106 195 D CA 0.192 54.217 54.000 0.041 0.000 0.905 195 D CB 0.672 41.505 40.800 0.055 0.000 1.202 195 D HN 0.422 nan 8.370 nan 0.000 0.426 196 R N 0.368 120.886 120.500 0.031 0.000 2.404 196 R HA 0.357 4.696 4.340 -0.001 0.000 0.291 196 R C 0.474 176.802 176.300 0.048 0.000 1.025 196 R CA -0.645 55.489 56.100 0.057 0.000 0.991 196 R CB 0.711 30.990 30.300 -0.036 0.000 1.053 196 R HN 0.465 nan 8.270 nan 0.000 0.479 197 T N -1.024 113.560 114.554 0.050 0.000 2.860 197 T HA 0.024 4.373 4.350 -0.001 0.000 0.299 197 T C 1.117 175.839 174.700 0.037 0.000 1.045 197 T CA -0.493 61.628 62.100 0.035 0.000 1.071 197 T CB 0.797 69.678 68.868 0.022 0.000 0.985 197 T HN 0.550 nan 8.240 nan 0.000 0.537 198 N N -0.112 118.607 118.700 0.032 0.000 2.060 198 N HA -0.143 4.596 4.740 -0.001 0.000 0.195 198 N C 1.655 177.191 175.510 0.043 0.000 1.028 198 N CA 1.447 54.516 53.050 0.033 0.000 0.861 198 N CB -0.414 38.089 38.487 0.026 0.000 1.029 198 N HN 0.597 nan 8.380 nan 0.000 0.428 199 L N 1.268 122.517 121.223 0.044 0.000 2.083 199 L HA -0.168 4.172 4.340 -0.001 0.000 0.209 199 L C 1.968 178.894 176.870 0.093 0.000 1.083 199 L CA 1.599 56.472 54.840 0.054 0.000 0.752 199 L CB -0.599 41.486 42.059 0.042 0.000 0.899 199 L HN 0.285 nan 8.230 nan 0.000 0.433 200 Q N -0.550 119.319 119.800 0.116 0.000 2.030 200 Q HA -0.242 4.098 4.340 -0.001 0.000 0.204 200 Q C 2.027 178.129 176.000 0.169 0.000 0.986 200 Q CA 2.161 58.086 55.803 0.203 0.000 0.843 200 Q CB -0.274 28.520 28.738 0.094 0.000 0.904 200 Q HN 0.617 nan 8.270 nan 0.000 0.420 201 E N 0.321 120.576 120.200 0.092 0.000 2.209 201 E HA -0.185 4.165 4.350 -0.001 0.000 0.196 201 E C 1.775 178.418 176.600 0.073 0.000 0.993 201 E CA 0.924 57.367 56.400 0.073 0.000 0.819 201 E CB -0.152 29.575 29.700 0.044 0.000 0.745 201 E HN 0.338 nan 8.360 nan 0.000 0.477 202 A N 1.444 124.304 122.820 0.068 0.000 2.168 202 A HA -0.094 4.226 4.320 -0.001 0.000 0.215 202 A C 1.078 178.695 177.584 0.054 0.000 1.152 202 A CA 0.434 52.502 52.037 0.052 0.000 0.716 202 A CB -0.004 19.020 19.000 0.040 0.000 0.794 202 A HN 0.070 nan 8.150 nan 0.000 0.465 203 Q N -0.221 119.626 119.800 0.079 0.000 2.352 203 Q HA 0.162 4.501 4.340 -0.001 0.000 0.260 203 Q C -1.757 174.269 176.000 0.043 0.000 0.976 203 Q CA -1.702 54.133 55.803 0.053 0.000 0.881 203 Q CB -0.014 28.757 28.738 0.055 0.000 1.235 203 Q HN 0.172 nan 8.270 nan 0.000 0.419 204 P HA -0.089 nan 4.420 nan 0.000 0.218 204 P C 0.047 177.359 177.300 0.020 0.000 1.148 204 P CA 1.118 64.228 63.100 0.016 0.000 0.822 204 P CB 0.297 32.001 31.700 0.006 0.000 0.784 205 L N -0.516 120.713 121.223 0.011 0.000 2.275 205 L HA 0.555 4.895 4.340 -0.001 0.000 0.288 205 L C 0.546 177.455 176.870 0.065 0.000 1.046 205 L CA -0.205 54.646 54.840 0.018 0.000 0.805 205 L CB 0.580 42.624 42.059 -0.025 0.000 1.193 205 L HN 0.127 nan 8.230 nan 0.000 0.426 206 G N 2.675 111.518 108.800 0.071 0.000 2.895 206 G HA2 -0.221 3.738 3.960 -0.001 0.000 0.686 206 G HA3 -0.221 3.738 3.960 -0.001 0.000 0.686 206 G C -1.241 173.709 174.900 0.084 0.000 1.108 206 G CA -0.695 44.462 45.100 0.096 0.000 0.761 206 G HN 0.810 nan 8.290 nan 0.000 0.611 207 N N 0.795 119.530 118.700 0.057 0.000 2.296 207 N HA 0.883 5.623 4.740 -0.001 0.000 0.294 207 N C 0.197 175.723 175.510 0.026 0.000 1.033 207 N CA 0.896 53.972 53.050 0.043 0.000 0.839 207 N CB 1.919 40.427 38.487 0.035 0.000 1.395 207 N HN 1.981 nan 8.380 nan 0.000 0.479 208 G N 1.634 110.443 108.800 0.016 0.000 2.328 208 G HA2 0.108 4.068 3.960 -0.001 0.000 0.299 208 G HA3 0.108 4.068 3.960 -0.001 0.000 0.299 208 G C -0.749 174.143 174.900 -0.014 0.000 1.435 208 G CA -0.672 44.427 45.100 -0.002 0.000 0.865 208 G HN 0.494 nan 8.290 nan 0.000 0.601 209 K N -0.510 119.880 120.400 -0.017 0.000 2.360 209 K HA 0.307 4.627 4.320 -0.001 0.000 0.196 209 K C 0.621 177.196 176.600 -0.041 0.000 1.049 209 K CA 0.509 56.786 56.287 -0.018 0.000 1.049 209 K CB 0.748 33.248 32.500 -0.000 0.000 0.881 209 K HN 0.249 nan 8.250 nan 0.000 0.542 210 K N 0.418 120.777 120.400 -0.068 0.000 2.426 210 K HA 0.566 4.885 4.320 -0.001 0.000 0.251 210 K C -1.543 174.932 176.600 -0.208 0.000 0.941 210 K CA -0.790 55.435 56.287 -0.103 0.000 0.808 210 K CB 2.280 34.754 32.500 -0.044 0.000 1.265 210 K HN -0.034 nan 8.250 nan 0.000 0.432 211 A N 2.940 125.546 122.820 -0.357 0.000 2.258 211 A HA 0.393 4.713 4.320 -0.001 0.000 0.316 211 A C -0.800 176.551 177.584 -0.388 0.000 1.279 211 A CA -0.483 51.191 52.037 -0.605 0.000 0.876 211 A CB 0.372 18.440 19.000 -1.554 0.000 1.170 211 A HN 0.720 nan 8.150 nan 0.000 0.520 212 E N 1.319 121.384 120.200 -0.226 0.000 2.244 212 E HA 0.596 4.946 4.350 -0.001 0.000 0.266 212 E C -1.108 175.439 176.600 -0.089 0.000 0.914 212 E CA -0.630 55.689 56.400 -0.134 0.000 0.794 212 E CB 1.981 31.701 29.700 0.034 0.000 1.210 212 E HN 0.717 nan 8.360 nan 0.000 0.414 213 Q N 1.927 121.678 119.800 -0.083 0.000 2.284 213 Q HA 0.399 4.739 4.340 -0.001 0.000 0.269 213 Q C -1.503 174.542 176.000 0.075 0.000 1.026 213 Q CA -0.823 54.960 55.803 -0.033 0.000 0.831 213 Q CB 2.060 30.814 28.738 0.028 0.000 1.322 213 Q HN 0.556 nan 8.270 nan 0.000 0.419 214 W N 0.671 121.983 121.300 0.021 0.000 3.062 214 W HA 0.933 5.592 4.660 -0.001 0.000 0.336 214 W C -1.769 174.756 176.519 0.010 0.000 1.224 214 W CA -1.144 56.245 57.345 0.074 0.000 1.159 214 W CB 0.864 30.473 29.460 0.248 0.000 1.454 214 W HN 0.772 nan 8.180 nan 0.000 0.569 215 A N 1.037 124.027 122.820 0.284 0.000 2.605 215 A HA 0.741 5.060 4.320 -0.001 0.000 0.294 215 A C -1.302 176.407 177.584 0.209 0.000 1.062 215 A CA -0.506 51.562 52.037 0.053 0.000 0.682 215 A CB 1.569 20.525 19.000 -0.073 0.000 1.278 215 A HN 0.496 nan 8.150 nan 0.000 0.410 216 T N 0.255 114.910 114.554 0.169 0.000 2.908 216 T HA 0.824 5.173 4.350 -0.001 0.000 0.290 216 T C 0.051 174.769 174.700 0.030 0.000 1.034 216 T CA -0.094 62.102 62.100 0.159 0.000 1.010 216 T CB 2.027 71.066 68.868 0.285 0.000 1.068 216 T HN 1.593 nan 8.240 nan 0.000 0.481 217 G N 1.275 110.046 108.800 -0.048 0.000 2.667 217 G HA2 0.663 4.623 3.960 -0.001 0.000 0.298 217 G HA3 0.663 4.623 3.960 -0.001 0.000 0.298 217 G C -2.045 172.947 174.900 0.152 0.000 1.377 217 G CA -0.422 44.620 45.100 -0.097 0.000 0.964 217 G HN 0.568 nan 8.290 nan 0.000 0.493 218 L N 1.314 122.738 121.223 0.335 0.000 2.422 218 L HA 0.786 5.126 4.340 -0.001 0.000 0.264 218 L C -0.824 176.194 176.870 0.247 0.000 0.984 218 L CA -0.776 54.253 54.840 0.314 0.000 0.819 218 L CB 2.191 44.368 42.059 0.196 0.000 1.330 218 L HN 0.841 nan 8.230 nan 0.000 0.410 219 K N 3.096 123.560 120.400 0.107 0.000 2.557 219 K HA 0.305 4.625 4.320 -0.001 0.000 0.261 219 K C -2.480 174.006 176.600 -0.190 0.000 0.932 219 K CA -0.636 55.524 56.287 -0.211 0.000 0.829 219 K CB 2.474 34.556 32.500 -0.696 0.000 1.358 219 K HN 0.381 nan 8.250 nan 0.000 0.430 220 Y N 2.548 122.586 120.300 -0.438 0.000 2.328 220 Y HA 0.401 4.951 4.550 -0.000 0.000 0.333 220 Y C -1.435 174.153 175.900 -0.521 0.000 0.958 220 Y CA -0.744 57.043 58.100 -0.522 0.000 1.167 220 Y CB 1.573 39.772 38.460 -0.435 0.000 1.151 220 Y HN 0.774 nan 8.280 nan 0.000 0.470 221 D N 5.245 124.984 120.400 -1.102 0.000 2.517 221 D HA 0.602 5.241 4.640 -0.001 0.000 0.263 221 D C -1.601 174.265 176.300 -0.723 0.000 1.233 221 D CA 0.108 53.672 54.000 -0.727 0.000 0.849 221 D CB 0.216 40.769 40.800 -0.411 0.000 1.261 221 D HN 0.746 nan 8.370 nan 0.000 0.516 222 A N 1.970 124.256 122.820 -0.891 0.000 2.601 222 A HA 0.607 4.927 4.320 -0.001 0.000 0.291 222 A C -0.224 177.154 177.584 -0.344 0.000 1.075 222 A CA -0.707 50.986 52.037 -0.573 0.000 0.671 222 A CB 0.827 19.460 19.000 -0.612 0.000 1.277 222 A HN 0.163 nan 8.150 nan 0.000 0.417 223 N N 0.554 119.143 118.700 -0.184 0.000 2.725 223 N HA -0.219 4.520 4.740 -0.001 0.000 0.251 223 N C 0.270 175.703 175.510 -0.129 0.000 1.031 223 N CA 1.515 54.511 53.050 -0.091 0.000 0.720 223 N CB -1.393 37.113 38.487 0.032 0.000 0.930 223 N HN 0.914 nan 8.380 nan 0.000 0.543 224 N N -2.192 116.365 118.700 -0.238 0.000 2.765 224 N HA -0.249 4.491 4.740 -0.001 0.000 0.248 224 N C -0.502 174.770 175.510 -0.396 0.000 1.063 224 N CA 1.499 54.307 53.050 -0.403 0.000 0.862 224 N CB -0.610 37.505 38.487 -0.620 0.000 1.145 224 N HN 0.584 nan 8.380 nan 0.000 0.581 225 I N -0.660 119.812 120.570 -0.164 0.000 2.607 225 I HA 0.406 4.576 4.170 -0.001 0.000 0.305 225 I C -0.461 175.651 176.117 -0.008 0.000 0.995 225 I CA -0.781 60.523 61.300 0.005 0.000 1.148 225 I CB 1.219 39.331 38.000 0.186 0.000 1.323 225 I HN -0.034 nan 8.210 nan 0.000 0.461 226 Y N 5.963 126.220 120.300 -0.072 0.000 2.333 226 Y HA 0.636 5.186 4.550 -0.000 0.000 0.324 226 Y C -1.594 174.293 175.900 -0.022 0.000 1.033 226 Y CA -0.618 57.416 58.100 -0.110 0.000 1.224 226 Y CB 1.003 39.380 38.460 -0.139 0.000 1.120 226 Y HN 0.319 nan 8.280 nan 0.000 0.457 227 L N 5.483 126.515 121.223 -0.318 0.000 2.362 227 L HA 1.016 5.355 4.340 -0.001 0.000 0.271 227 L C -0.696 175.980 176.870 -0.323 0.000 1.002 227 L CA -1.179 53.577 54.840 -0.141 0.000 0.818 227 L CB 1.927 43.984 42.059 -0.003 0.000 1.298 227 L HN 0.701 nan 8.230 nan 0.000 0.420 228 A N 2.191 124.926 122.820 -0.141 0.000 2.547 228 A HA 0.921 5.240 4.320 -0.001 0.000 0.297 228 A C -1.431 176.191 177.584 0.062 0.000 1.056 228 A CA -0.367 51.609 52.037 -0.101 0.000 0.688 228 A CB 2.001 20.931 19.000 -0.116 0.000 1.282 228 A HN 0.828 nan 8.150 nan 0.000 0.400 229 A N 1.708 124.599 122.820 0.118 0.000 2.422 229 A HA 0.804 5.123 4.320 -0.001 0.000 0.302 229 A C -0.801 176.869 177.584 0.143 0.000 1.041 229 A CA -0.561 51.551 52.037 0.125 0.000 0.708 229 A CB 1.176 20.244 19.000 0.114 0.000 1.257 229 A HN 0.850 nan 8.150 nan 0.000 0.414 230 N N -0.112 118.651 118.700 0.105 0.000 2.272 230 N HA 0.658 5.397 4.740 -0.001 0.000 0.305 230 N C -1.794 173.776 175.510 0.099 0.000 1.103 230 N CA -0.332 52.758 53.050 0.068 0.000 0.791 230 N CB 2.036 40.523 38.487 -0.000 0.000 1.356 230 N HN 0.667 nan 8.380 nan 0.000 0.486 231 Y N 0.632 120.919 120.300 -0.023 0.000 2.361 231 Y HA 0.638 5.188 4.550 -0.000 0.000 0.328 231 Y C -0.783 175.026 175.900 -0.152 0.000 1.044 231 Y CA -0.460 57.608 58.100 -0.053 0.000 1.085 231 Y CB 1.344 39.808 38.460 0.008 0.000 1.194 231 Y HN 0.561 nan 8.280 nan 0.000 0.438 232 G N 4.201 112.319 108.800 -1.137 0.000 2.690 232 G HA2 0.646 4.606 3.960 -0.001 0.000 0.291 232 G HA3 0.646 4.606 3.960 -0.001 0.000 0.291 232 G C -1.908 172.209 174.900 -1.304 0.000 1.403 232 G CA -1.023 43.393 45.100 -1.140 0.000 0.864 232 G HN 0.562 nan 8.290 nan 0.000 0.480 233 E N -0.819 118.524 120.200 -1.427 0.000 2.393 233 E HA 0.696 5.046 4.350 -0.001 0.000 0.273 233 E C -1.023 175.220 176.600 -0.595 0.000 0.918 233 E CA -1.030 54.854 56.400 -0.858 0.000 0.773 233 E CB 2.694 32.053 29.700 -0.569 0.000 1.275 233 E HN 0.672 nan 8.360 nan 0.000 0.451 234 T N -0.805 113.588 114.554 -0.267 0.000 2.956 234 T HA 0.590 4.940 4.350 -0.001 0.000 0.312 234 T C -0.804 173.865 174.700 -0.051 0.000 1.151 234 T CA -1.175 60.846 62.100 -0.130 0.000 1.024 234 T CB 1.437 70.251 68.868 -0.089 0.000 1.140 234 T HN 0.307 nan 8.240 nan 0.000 0.473 235 R N 2.375 122.859 120.500 -0.027 0.000 2.534 235 R HA 0.430 4.769 4.340 -0.001 0.000 0.301 235 R C -0.220 176.039 176.300 -0.068 0.000 0.961 235 R CA -0.864 55.228 56.100 -0.014 0.000 0.871 235 R CB 1.243 31.559 30.300 0.026 0.000 1.170 235 R HN 0.910 nan 8.270 nan 0.000 0.446 236 N N 0.806 119.482 118.700 -0.040 0.000 2.693 236 N HA -0.276 4.464 4.740 -0.001 0.000 0.250 236 N C 0.226 175.643 175.510 -0.154 0.000 1.033 236 N CA 1.253 54.270 53.050 -0.055 0.000 0.747 236 N CB -0.680 37.747 38.487 -0.101 0.000 0.964 236 N HN 0.786 nan 8.380 nan 0.000 0.540 237 A N -0.916 121.860 122.820 -0.074 0.000 1.975 237 A HA 0.136 4.456 4.320 -0.001 0.000 0.197 237 A C 0.893 178.615 177.584 0.230 0.000 1.537 237 A CA 0.453 52.452 52.037 -0.063 0.000 0.972 237 A CB 0.093 19.005 19.000 -0.146 0.000 1.019 237 A HN 0.227 nan 8.150 nan 0.000 0.488 238 T N 4.333 118.970 114.554 0.138 0.000 2.829 238 T HA 0.333 4.682 4.350 -0.001 0.000 0.293 238 T C -2.574 172.128 174.700 0.003 0.000 0.970 238 T CA -0.387 61.707 62.100 -0.010 0.000 1.168 238 T CB 0.600 69.451 68.868 -0.028 0.000 0.911 238 T HN 0.280 nan 8.240 nan 0.000 0.535 239 P HA 0.346 nan 4.420 nan 0.000 0.281 239 P C -0.476 176.635 177.300 -0.316 0.000 1.252 239 P CA -0.430 62.440 63.100 -0.384 0.000 0.778 239 P CB 0.476 31.945 31.700 -0.385 0.000 0.895 240 I N -0.374 120.030 120.570 -0.277 0.000 2.730 240 I HA 0.667 4.837 4.170 -0.001 0.000 0.298 240 I C -1.110 174.902 176.117 -0.176 0.000 1.089 240 I CA -0.787 60.408 61.300 -0.174 0.000 1.041 240 I CB 2.699 40.635 38.000 -0.106 0.000 1.235 240 I HN 0.065 nan 8.210 nan 0.000 0.423 241 T N 3.141 117.615 114.554 -0.133 0.000 2.861 241 T HA 0.301 4.650 4.350 -0.001 0.000 0.287 241 T C -0.436 174.199 174.700 -0.109 0.000 1.003 241 T CA -0.496 61.529 62.100 -0.125 0.000 0.977 241 T CB 1.241 70.034 68.868 -0.125 0.000 0.996 241 T HN 0.620 nan 8.240 nan 0.000 0.448 242 N N 2.281 120.927 118.700 -0.090 0.000 2.558 242 N HA 0.154 4.894 4.740 -0.001 0.000 0.233 242 N C 1.014 176.440 175.510 -0.140 0.000 1.038 242 N CA -0.321 52.683 53.050 -0.077 0.000 0.934 242 N CB 0.584 39.071 38.487 -0.000 0.000 1.175 242 N HN 0.508 nan 8.380 nan 0.000 0.512 243 K N 2.015 122.239 120.400 -0.294 0.000 2.147 243 K HA -0.116 4.204 4.320 -0.001 0.000 0.205 243 K C 1.009 177.431 176.600 -0.297 0.000 1.049 243 K CA 1.279 57.367 56.287 -0.333 0.000 0.936 243 K CB -0.034 32.231 32.500 -0.392 0.000 0.722 243 K HN 0.367 nan 8.250 nan 0.000 0.446 244 F N 1.192 121.136 119.950 -0.008 0.000 2.046 244 F HA -0.228 4.298 4.527 -0.001 0.000 0.297 244 F C 3.005 178.800 175.800 -0.008 0.000 1.123 244 F CA 1.760 59.757 58.000 -0.005 0.000 1.199 244 F CB -1.569 37.430 39.000 -0.003 0.000 0.972 244 F HN 0.126 nan 8.300 nan 0.000 0.474 245 T N -3.421 111.238 114.554 0.174 0.000 2.985 245 T HA -0.043 4.307 4.350 -0.001 0.000 0.266 245 T C 1.196 175.915 174.700 0.033 0.000 1.076 245 T CA 0.959 63.113 62.100 0.089 0.000 1.135 245 T CB -0.325 68.587 68.868 0.074 0.000 0.890 245 T HN 0.363 nan 8.240 nan 0.000 0.480 246 N N 1.525 120.224 118.700 -0.001 0.000 2.925 246 N HA -0.141 4.598 4.740 -0.001 0.000 0.244 246 N C 0.013 175.503 175.510 -0.034 0.000 1.000 246 N CA 1.228 54.260 53.050 -0.030 0.000 0.895 246 N CB -1.851 36.625 38.487 -0.019 0.000 1.119 246 N HN 0.860 nan 8.380 nan 0.000 0.569 247 T N -2.274 112.265 114.554 -0.024 0.000 2.726 247 T HA 0.617 4.967 4.350 -0.001 0.000 0.294 247 T C 0.477 175.138 174.700 -0.065 0.000 1.013 247 T CA -0.141 61.939 62.100 -0.033 0.000 0.996 247 T CB 2.188 71.047 68.868 -0.015 0.000 1.016 247 T HN 0.117 nan 8.240 nan 0.000 0.529 248 S N -1.386 114.263 115.700 -0.085 0.000 2.567 248 S HA 0.796 5.266 4.470 -0.001 0.000 0.270 248 S C -0.182 174.305 174.600 -0.189 0.000 1.152 248 S CA -0.220 57.893 58.200 -0.146 0.000 0.835 248 S CB 1.634 64.739 63.200 -0.158 0.000 1.115 248 S HN 1.474 nan 8.310 nan 0.000 0.459 249 G N 0.770 109.370 108.800 -0.333 0.000 2.404 249 G HA2 0.429 4.389 3.960 -0.001 0.000 0.253 249 G HA3 0.429 4.389 3.960 -0.001 0.000 0.253 249 G C -2.315 172.143 174.900 -0.737 0.000 1.253 249 G CA -0.680 44.139 45.100 -0.468 0.000 0.917 249 G HN 0.485 nan 8.290 nan 0.000 0.480 250 F N 1.402 121.337 119.950 -0.025 0.000 2.480 250 F HA 0.734 5.261 4.527 -0.001 0.000 0.329 250 F C 0.901 176.682 175.800 -0.032 0.000 1.091 250 F CA -0.232 57.748 58.000 -0.034 0.000 0.972 250 F CB 2.126 41.120 39.000 -0.010 0.000 1.150 250 F HN 0.681 nan 8.300 nan 0.000 0.467 251 A N 2.611 125.493 122.820 0.104 0.000 2.488 251 A HA 0.127 4.446 4.320 -0.001 0.000 0.249 251 A C 1.053 178.679 177.584 0.071 0.000 1.083 251 A CA -0.196 51.876 52.037 0.058 0.000 0.768 251 A CB -0.173 18.843 19.000 0.027 0.000 1.017 251 A HN 1.015 nan 8.150 nan 0.000 0.496 252 N N 0.711 119.444 118.700 0.054 0.000 2.036 252 N HA -0.133 4.606 4.740 -0.001 0.000 0.195 252 N C 0.273 175.802 175.510 0.031 0.000 1.037 252 N CA 1.933 55.009 53.050 0.044 0.000 0.855 252 N CB -0.007 38.503 38.487 0.039 0.000 1.033 252 N HN 0.745 nan 8.380 nan 0.000 0.423 253 K N -0.728 119.687 120.400 0.026 0.000 2.512 253 K HA 0.392 4.712 4.320 -0.001 0.000 0.263 253 K C -1.129 175.471 176.600 -0.000 0.000 0.966 253 K CA -0.717 55.578 56.287 0.014 0.000 0.851 253 K CB 1.746 34.260 32.500 0.024 0.000 1.395 253 K HN 0.026 nan 8.250 nan 0.000 0.440 254 T N -1.570 112.965 114.554 -0.032 0.000 2.909 254 T HA 0.432 4.781 4.350 -0.001 0.000 0.299 254 T C -0.914 173.720 174.700 -0.110 0.000 1.073 254 T CA -0.888 61.181 62.100 -0.051 0.000 0.999 254 T CB 1.873 70.714 68.868 -0.046 0.000 1.098 254 T HN 0.447 nan 8.240 nan 0.000 0.477 255 Q N 2.261 122.000 119.800 -0.102 0.000 2.330 255 Q HA 0.488 4.827 4.340 -0.001 0.000 0.269 255 Q C -1.446 174.431 176.000 -0.205 0.000 1.022 255 Q CA -0.885 54.822 55.803 -0.160 0.000 0.796 255 Q CB 2.174 30.929 28.738 0.029 0.000 1.271 255 Q HN 0.711 nan 8.270 nan 0.000 0.450 256 D N 1.845 121.997 120.400 -0.413 0.000 2.619 256 D HA 0.563 5.203 4.640 -0.001 0.000 0.241 256 D C -0.657 175.473 176.300 -0.283 0.000 1.087 256 D CA -0.563 53.262 54.000 -0.293 0.000 0.851 256 D CB 2.675 43.323 40.800 -0.253 0.000 1.474 256 D HN 0.161 nan 8.370 nan 0.000 0.478 257 V N 1.374 121.207 119.914 -0.135 0.000 2.709 257 V HA 0.567 4.686 4.120 -0.001 0.000 0.308 257 V C -0.615 175.404 176.094 -0.124 0.000 1.062 257 V CA -0.755 61.528 62.300 -0.028 0.000 0.901 257 V CB 2.071 33.948 31.823 0.090 0.000 1.003 257 V HN 0.381 nan 8.190 nan 0.000 0.425 258 L N 5.247 126.433 121.223 -0.062 0.000 2.470 258 L HA 0.697 5.037 4.340 -0.001 0.000 0.268 258 L C -1.125 175.753 176.870 0.013 0.000 0.964 258 L CA -0.066 54.718 54.840 -0.093 0.000 0.839 258 L CB 2.020 44.032 42.059 -0.079 0.000 1.276 258 L HN 0.493 nan 8.230 nan 0.000 0.403 259 L N 3.841 125.086 121.223 0.036 0.000 2.370 259 L HA 0.939 5.278 4.340 -0.001 0.000 0.266 259 L C -0.942 175.994 176.870 0.109 0.000 1.002 259 L CA -0.926 53.975 54.840 0.102 0.000 0.818 259 L CB 2.289 44.436 42.059 0.146 0.000 1.325 259 L HN 0.191 nan 8.230 nan 0.000 0.418 260 V N 0.559 120.548 119.914 0.124 0.000 2.851 260 V HA 0.899 5.019 4.120 -0.001 0.000 0.307 260 V C -0.755 175.435 176.094 0.160 0.000 1.129 260 V CA -0.670 61.723 62.300 0.155 0.000 0.932 260 V CB 1.813 33.757 31.823 0.201 0.000 1.024 260 V HN 0.875 nan 8.190 nan 0.000 0.426 261 A N 3.657 126.577 122.820 0.166 0.000 2.381 261 A HA 0.898 5.218 4.320 -0.001 0.000 0.299 261 A C -0.940 176.748 177.584 0.174 0.000 1.049 261 A CA -0.481 51.651 52.037 0.158 0.000 0.715 261 A CB 1.943 21.019 19.000 0.126 0.000 1.222 261 A HN 0.796 nan 8.150 nan 0.000 0.428 262 Q N 0.010 119.925 119.800 0.192 0.000 2.456 262 Q HA 0.594 4.934 4.340 -0.001 0.000 0.284 262 Q C -2.104 173.996 176.000 0.167 0.000 1.061 262 Q CA -0.668 55.231 55.803 0.161 0.000 0.799 262 Q CB 3.016 31.820 28.738 0.110 0.000 1.445 262 Q HN 0.776 nan 8.270 nan 0.000 0.411 263 Y N 0.632 120.919 120.300 -0.021 0.000 2.492 263 Y HA 0.374 4.924 4.550 -0.001 0.000 0.346 263 Y C -1.483 174.309 175.900 -0.181 0.000 0.997 263 Y CA -0.620 57.397 58.100 -0.139 0.000 1.025 263 Y CB 2.123 40.447 38.460 -0.227 0.000 1.263 263 Y HN 0.526 nan 8.280 nan 0.000 0.454 264 Q N 5.252 124.450 119.800 -1.003 0.000 2.425 264 Q HA 0.402 4.742 4.340 -0.001 0.000 0.254 264 Q C -1.939 173.646 176.000 -0.690 0.000 1.032 264 Q CA -0.295 55.145 55.803 -0.604 0.000 0.798 264 Q CB 0.179 28.642 28.738 -0.460 0.000 1.210 264 Q HN 0.572 nan 8.270 nan 0.000 0.491 265 F N 1.668 121.408 119.950 -0.350 0.000 2.450 265 F HA 0.089 4.616 4.527 -0.000 0.000 0.339 265 F C 1.269 176.842 175.800 -0.380 0.000 1.146 265 F CA 0.248 58.067 58.000 -0.301 0.000 1.267 265 F CB 0.842 39.500 39.000 -0.571 0.000 1.178 265 F HN 0.585 nan 8.300 nan 0.000 0.585 266 D N 1.292 121.688 120.400 -0.007 0.000 2.347 266 D HA -0.112 4.528 4.640 -0.001 0.000 0.215 266 D C 1.550 177.872 176.300 0.037 0.000 0.976 266 D CA 0.912 54.908 54.000 -0.007 0.000 0.884 266 D CB -0.204 40.646 40.800 0.084 0.000 0.915 266 D HN 0.455 nan 8.370 nan 0.000 0.526 267 F N -2.016 118.001 119.950 0.112 0.000 2.732 267 F HA 0.476 5.002 4.527 -0.001 0.000 0.303 267 F C 1.480 177.253 175.800 -0.045 0.000 1.110 267 F CA 0.189 58.235 58.000 0.078 0.000 1.355 267 F CB 0.219 39.294 39.000 0.124 0.000 1.081 267 F HN -0.073 nan 8.300 nan 0.000 0.565 268 G N 0.561 109.109 108.800 -0.420 0.000 2.316 268 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.203 268 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.203 268 G C -0.454 174.073 174.900 -0.622 0.000 0.999 268 G CA -0.170 44.545 45.100 -0.641 0.000 0.649 268 G HN 0.374 nan 8.290 nan 0.000 0.489 269 L N 1.451 122.349 121.223 -0.542 0.000 2.312 269 L HA 0.814 5.154 4.340 -0.001 0.000 0.281 269 L C 0.565 177.457 176.870 0.036 0.000 1.070 269 L CA -0.548 54.205 54.840 -0.145 0.000 0.805 269 L CB 1.130 43.188 42.059 -0.001 0.000 1.174 269 L HN 0.183 nan 8.230 nan 0.000 0.434 270 R N 5.406 125.960 120.500 0.090 0.000 2.513 270 R HA 0.412 4.752 4.340 -0.001 0.000 0.283 270 R C -2.555 173.832 176.300 0.146 0.000 1.535 270 R CA -1.736 54.434 56.100 0.117 0.000 1.315 270 R CB 1.002 31.372 30.300 0.116 0.000 1.163 270 R HN 0.431 nan 8.270 nan 0.000 0.573 271 P HA 0.035 nan 4.420 nan 0.000 0.272 271 P C -0.942 176.458 177.300 0.166 0.000 1.223 271 P CA -0.111 63.113 63.100 0.206 0.000 0.784 271 P CB 1.299 33.161 31.700 0.269 0.000 0.923 272 S N 2.407 118.198 115.700 0.152 0.000 2.619 272 S HA 0.599 5.068 4.470 -0.001 0.000 0.280 272 S C -1.222 173.471 174.600 0.156 0.000 1.150 272 S CA -0.672 57.612 58.200 0.141 0.000 0.978 272 S CB 0.216 63.484 63.200 0.113 0.000 1.041 272 S HN 0.141 nan 8.310 nan 0.000 0.485 273 I N 3.574 124.240 120.570 0.160 0.000 2.474 273 I HA 0.826 4.995 4.170 -0.001 0.000 0.294 273 I C 0.283 176.510 176.117 0.184 0.000 1.005 273 I CA -0.426 60.979 61.300 0.175 0.000 1.113 273 I CB 1.287 39.383 38.000 0.159 0.000 1.289 273 I HN 0.927 nan 8.210 nan 0.000 0.436 274 A N 5.907 128.854 122.820 0.213 0.000 2.594 274 A HA 0.794 5.114 4.320 -0.001 0.000 0.291 274 A C -2.161 175.538 177.584 0.192 0.000 1.105 274 A CA -0.486 51.663 52.037 0.186 0.000 0.694 274 A CB 2.243 21.347 19.000 0.172 0.000 1.291 274 A HN 0.589 nan 8.150 nan 0.000 0.410 275 Y N 0.070 120.317 120.300 -0.087 0.000 2.479 275 Y HA 0.685 5.235 4.550 -0.001 0.000 0.338 275 Y C -0.912 174.730 175.900 -0.431 0.000 1.055 275 Y CA -0.279 57.628 58.100 -0.321 0.000 1.023 275 Y CB 2.210 40.497 38.460 -0.287 0.000 1.287 275 Y HN 0.750 nan 8.280 nan 0.000 0.447 276 T N 5.884 119.460 114.554 -1.631 0.000 2.952 276 T HA 0.504 4.854 4.350 -0.001 0.000 0.305 276 T C -1.720 172.204 174.700 -1.293 0.000 1.064 276 T CA -0.976 60.326 62.100 -1.330 0.000 1.008 276 T CB 1.779 69.902 68.868 -1.242 0.000 1.078 276 T HN 0.630 nan 8.240 nan 0.000 0.459 277 K N 1.265 121.186 120.400 -0.798 0.000 2.535 277 K HA 0.683 5.003 4.320 -0.001 0.000 0.251 277 K C -1.479 174.974 176.600 -0.245 0.000 0.942 277 K CA -0.536 55.482 56.287 -0.448 0.000 0.798 277 K CB 1.857 34.194 32.500 -0.272 0.000 1.267 277 K HN 0.606 nan 8.250 nan 0.000 0.434 278 S N 3.603 119.214 115.700 -0.150 0.000 2.619 278 S HA 0.599 5.069 4.470 -0.001 0.000 0.280 278 S C -1.949 172.629 174.600 -0.037 0.000 1.150 278 S CA -0.856 57.291 58.200 -0.087 0.000 0.978 278 S CB 0.604 63.767 63.200 -0.062 0.000 1.041 278 S HN 0.662 nan 8.310 nan 0.000 0.485 279 K N 2.432 122.816 120.400 -0.027 0.000 2.427 279 K HA 0.845 5.165 4.320 -0.001 0.000 0.252 279 K C -0.797 175.804 176.600 0.002 0.000 0.931 279 K CA -0.987 55.299 56.287 -0.002 0.000 0.793 279 K CB 1.910 34.415 32.500 0.009 0.000 1.211 279 K HN 0.560 nan 8.250 nan 0.000 0.426 280 A N 3.233 126.060 122.820 0.012 0.000 2.309 280 A HA 0.453 4.773 4.320 -0.001 0.000 0.298 280 A C -0.887 176.709 177.584 0.020 0.000 1.165 280 A CA -0.739 51.306 52.037 0.013 0.000 0.821 280 A CB 0.464 19.473 19.000 0.014 0.000 1.102 280 A HN 0.756 nan 8.150 nan 0.000 0.500 281 K N 1.483 121.896 120.400 0.022 0.000 2.207 281 K HA 0.472 4.792 4.320 -0.001 0.000 0.255 281 K C -1.095 175.523 176.600 0.029 0.000 0.941 281 K CA -0.782 55.522 56.287 0.028 0.000 0.825 281 K CB 1.295 33.814 32.500 0.032 0.000 1.119 281 K HN 0.671 nan 8.250 nan 0.000 0.430 282 D N 0.308 120.726 120.400 0.030 0.000 2.775 282 D HA -0.131 4.508 4.640 -0.001 0.000 0.235 282 D C -0.637 175.680 176.300 0.029 0.000 1.120 282 D CA 0.522 54.540 54.000 0.029 0.000 0.708 282 D CB -1.391 39.427 40.800 0.030 0.000 1.084 282 D HN 0.129 nan 8.370 nan 0.000 0.434 283 V N 2.054 121.985 119.914 0.028 0.000 2.446 283 V HA -0.030 4.090 4.120 -0.001 0.000 0.276 283 V C 1.167 177.277 176.094 0.027 0.000 1.030 283 V CA -0.341 61.975 62.300 0.027 0.000 1.033 283 V CB 0.870 32.709 31.823 0.026 0.000 0.993 283 V HN 0.101 nan 8.190 nan 0.000 0.477 284 E N 4.994 125.210 120.200 0.027 0.000 2.905 284 E HA -0.014 4.335 4.350 -0.001 0.000 0.240 284 E C 1.231 177.847 176.600 0.026 0.000 0.990 284 E CA 0.864 57.279 56.400 0.026 0.000 0.954 284 E CB -0.456 29.259 29.700 0.025 0.000 0.908 284 E HN 1.052 nan 8.360 nan 0.000 0.532 285 G N 2.921 111.736 108.800 0.025 0.000 2.317 285 G HA2 -0.330 3.630 3.960 -0.001 0.000 0.227 285 G HA3 -0.330 3.630 3.960 -0.001 0.000 0.227 285 G C 0.780 175.697 174.900 0.029 0.000 1.042 285 G CA 0.188 45.303 45.100 0.025 0.000 0.623 285 G HN 0.483 nan 8.290 nan 0.000 0.509 286 I N 1.286 121.876 120.570 0.033 0.000 2.810 286 I HA 0.531 4.700 4.170 -0.001 0.000 0.262 286 I C 1.981 178.118 176.117 0.033 0.000 1.131 286 I CA 2.242 63.565 61.300 0.039 0.000 1.453 286 I CB 0.102 38.132 38.000 0.051 0.000 1.161 286 I HN 1.413 nan 8.210 nan 0.000 0.444 287 G N 0.303 109.121 108.800 0.030 0.000 2.484 287 G HA2 -0.203 3.756 3.960 -0.001 0.000 0.225 287 G HA3 -0.203 3.756 3.960 -0.001 0.000 0.225 287 G C -1.033 173.885 174.900 0.031 0.000 1.250 287 G CA -0.413 44.705 45.100 0.029 0.000 0.926 287 G HN 0.146 nan 8.290 nan 0.000 0.581 288 D N 0.532 120.951 120.400 0.031 0.000 2.295 288 D HA 0.540 5.180 4.640 -0.001 0.000 0.248 288 D C -0.027 176.294 176.300 0.035 0.000 1.154 288 D CA 0.530 54.549 54.000 0.032 0.000 0.857 288 D CB 1.748 42.567 40.800 0.032 0.000 1.117 288 D HN 0.989 nan 8.370 nan 0.000 0.468 289 V N 2.304 122.240 119.914 0.035 0.000 2.808 289 V HA 0.317 4.437 4.120 -0.001 0.000 0.308 289 V C -1.395 174.720 176.094 0.034 0.000 1.099 289 V CA -0.832 61.492 62.300 0.040 0.000 0.920 289 V CB 2.323 34.173 31.823 0.046 0.000 1.014 289 V HN 0.304 nan 8.190 nan 0.000 0.425 290 D N 4.491 124.913 120.400 0.037 0.000 2.302 290 D HA 0.423 5.062 4.640 -0.001 0.000 0.248 290 D C 0.740 177.060 176.300 0.033 0.000 1.094 290 D CA 0.016 54.033 54.000 0.029 0.000 0.897 290 D CB 2.174 42.991 40.800 0.029 0.000 1.200 290 D HN 0.515 nan 8.370 nan 0.000 0.429 291 L N 0.623 121.864 121.223 0.029 0.000 2.349 291 L HA 0.187 4.526 4.340 -0.001 0.000 0.200 291 L C 0.290 177.196 176.870 0.061 0.000 1.064 291 L CA 0.394 55.259 54.840 0.042 0.000 0.821 291 L CB 0.340 42.430 42.059 0.052 0.000 1.027 291 L HN 0.109 nan 8.230 nan 0.000 0.476 292 V N 0.210 120.151 119.914 0.044 0.000 2.760 292 V HA 0.489 4.609 4.120 -0.001 0.000 0.309 292 V C -1.208 174.861 176.094 -0.042 0.000 1.077 292 V CA -0.631 61.708 62.300 0.065 0.000 0.910 292 V CB 1.891 33.757 31.823 0.071 0.000 1.008 292 V HN 0.234 nan 8.190 nan 0.000 0.424 293 N N 3.762 122.448 118.700 -0.024 0.000 2.812 293 N HA 0.403 5.143 4.740 -0.001 0.000 0.262 293 N C -1.578 173.890 175.510 -0.070 0.000 1.241 293 N CA -0.346 52.618 53.050 -0.143 0.000 0.854 293 N CB 1.498 39.971 38.487 -0.023 0.000 1.506 293 N HN 0.732 nan 8.380 nan 0.000 0.576 294 Y N 0.710 120.814 120.300 -0.326 0.000 2.713 294 Y HA 0.731 5.280 4.550 -0.001 0.000 0.335 294 Y C -1.818 173.876 175.900 -0.343 0.000 1.222 294 Y CA -1.292 56.652 58.100 -0.260 0.000 1.061 294 Y CB 0.590 38.848 38.460 -0.338 0.000 1.314 294 Y HN 0.021 nan 8.280 nan 0.000 0.453 295 F N 1.107 121.193 119.950 0.226 0.000 2.523 295 F HA 0.663 5.189 4.527 -0.001 0.000 0.329 295 F C 0.008 175.911 175.800 0.172 0.000 1.061 295 F CA -0.767 57.354 58.000 0.203 0.000 0.967 295 F CB 1.901 40.967 39.000 0.109 0.000 1.218 295 F HN 0.602 nan 8.300 nan 0.000 0.480 296 E N 1.305 121.712 120.200 0.344 0.000 2.292 296 E HA 0.619 4.969 4.350 -0.001 0.000 0.272 296 E C -2.145 174.564 176.600 0.182 0.000 0.881 296 E CA -0.498 56.008 56.400 0.177 0.000 0.754 296 E CB 2.396 32.242 29.700 0.243 0.000 1.201 296 E HN 0.421 nan 8.360 nan 0.000 0.425 297 V N 1.885 121.896 119.914 0.161 0.000 2.789 297 V HA 0.920 5.040 4.120 -0.001 0.000 0.311 297 V C 0.218 176.445 176.094 0.222 0.000 1.073 297 V CA -0.181 62.237 62.300 0.197 0.000 0.921 297 V CB 1.804 33.754 31.823 0.211 0.000 1.009 297 V HN 0.817 nan 8.190 nan 0.000 0.426 298 G N 1.724 110.639 108.800 0.192 0.000 2.506 298 G HA2 0.875 4.834 3.960 -0.001 0.000 0.292 298 G HA3 0.875 4.834 3.960 -0.001 0.000 0.292 298 G C -1.610 173.385 174.900 0.158 0.000 1.425 298 G CA 0.028 45.242 45.100 0.190 0.000 0.788 298 G HN 1.317 nan 8.290 nan 0.000 0.490 299 A N -0.530 122.382 122.820 0.154 0.000 2.549 299 A HA 0.904 5.224 4.320 -0.001 0.000 0.297 299 A C -0.612 177.039 177.584 0.112 0.000 1.061 299 A CA -0.481 51.634 52.037 0.129 0.000 0.690 299 A CB 1.927 21.007 19.000 0.134 0.000 1.287 299 A HN 1.049 nan 8.150 nan 0.000 0.402 300 T N 1.269 115.840 114.554 0.029 0.000 2.824 300 T HA 0.535 4.884 4.350 -0.001 0.000 0.282 300 T C -1.548 173.038 174.700 -0.189 0.000 0.993 300 T CA -0.020 62.010 62.100 -0.117 0.000 0.967 300 T CB 0.845 69.496 68.868 -0.362 0.000 0.960 300 T HN 0.502 nan 8.240 nan 0.000 0.441 301 Y N 2.849 122.953 120.300 -0.327 0.000 2.328 301 Y HA 0.511 5.061 4.550 -0.001 0.000 0.337 301 Y C -1.371 174.227 175.900 -0.505 0.000 0.966 301 Y CA -1.169 56.717 58.100 -0.357 0.000 1.136 301 Y CB 0.702 38.961 38.460 -0.335 0.000 1.170 301 Y HN 0.610 nan 8.280 nan 0.000 0.470 302 Y N 7.115 127.040 120.300 -0.625 0.000 2.404 302 Y HA 0.204 4.753 4.550 -0.001 0.000 0.344 302 Y C 0.260 175.957 175.900 -0.338 0.000 0.970 302 Y CA -0.467 57.439 58.100 -0.323 0.000 1.180 302 Y CB 0.259 38.582 38.460 -0.230 0.000 1.138 302 Y HN 0.688 nan 8.280 nan 0.000 0.510 303 F N 1.267 121.309 119.950 0.153 0.000 2.186 303 F HA -0.141 4.386 4.527 -0.000 0.000 0.299 303 F C 0.736 176.617 175.800 0.135 0.000 1.090 303 F CA 0.926 59.055 58.000 0.215 0.000 1.307 303 F CB -0.101 39.042 39.000 0.239 0.000 1.019 303 F HN 0.581 nan 8.300 nan 0.000 0.489 304 N N -2.129 116.750 118.700 0.298 0.000 3.465 304 N HA 0.104 4.844 4.740 -0.001 0.000 0.332 304 N C -0.164 175.424 175.510 0.131 0.000 1.492 304 N CA -0.785 52.365 53.050 0.167 0.000 0.867 304 N CB 0.273 38.851 38.487 0.151 0.000 1.899 304 N HN -0.225 nan 8.380 nan 0.000 0.502 305 K N -0.391 120.042 120.400 0.056 0.000 2.217 305 K HA 0.114 4.434 4.320 -0.001 0.000 0.202 305 K C 0.672 177.285 176.600 0.023 0.000 1.051 305 K CA 1.482 57.773 56.287 0.007 0.000 0.952 305 K CB -0.375 32.107 32.500 -0.030 0.000 0.736 305 K HN 0.411 nan 8.250 nan 0.000 0.453 306 N N -0.294 118.424 118.700 0.030 0.000 2.368 306 N HA 0.009 4.749 4.740 -0.001 0.000 0.176 306 N C 0.044 175.545 175.510 -0.014 0.000 1.021 306 N CA 0.428 53.440 53.050 -0.064 0.000 0.888 306 N CB 0.258 38.730 38.487 -0.026 0.000 0.995 306 N HN 0.001 nan 8.380 nan 0.000 0.437 307 M N 0.212 119.909 119.600 0.162 0.000 2.465 307 M HA 0.435 4.915 4.480 -0.001 0.000 0.316 307 M C -1.379 175.166 176.300 0.409 0.000 1.121 307 M CA -0.622 54.833 55.300 0.258 0.000 0.934 307 M CB 1.929 34.665 32.600 0.227 0.000 1.692 307 M HN 0.059 nan 8.290 nan 0.000 0.444 308 S N 1.252 117.194 115.700 0.402 0.000 2.587 308 S HA 0.899 5.369 4.470 -0.001 0.000 0.269 308 S C -1.228 173.562 174.600 0.318 0.000 1.154 308 S CA -0.801 57.607 58.200 0.347 0.000 0.824 308 S CB 1.743 64.990 63.200 0.079 0.000 1.118 308 S HN 0.682 nan 8.310 nan 0.000 0.462 309 T N 1.620 116.298 114.554 0.207 0.000 2.906 309 T HA 0.837 5.186 4.350 -0.001 0.000 0.295 309 T C -1.601 173.185 174.700 0.144 0.000 1.075 309 T CA -0.600 61.600 62.100 0.168 0.000 1.005 309 T CB 1.206 70.208 68.868 0.222 0.000 1.136 309 T HN 1.104 nan 8.240 nan 0.000 0.498 310 Y N -1.746 118.577 120.300 0.038 0.000 2.638 310 Y HA 0.815 5.365 4.550 -0.001 0.000 0.335 310 Y C -1.879 174.058 175.900 0.062 0.000 1.155 310 Y CA -1.420 56.691 58.100 0.017 0.000 1.046 310 Y CB 0.661 39.105 38.460 -0.026 0.000 1.303 310 Y HN 0.430 nan 8.280 nan 0.000 0.460 311 V N 1.852 121.915 119.914 0.248 0.000 2.656 311 V HA 0.509 4.628 4.120 -0.001 0.000 0.307 311 V C -1.464 174.808 176.094 0.297 0.000 1.051 311 V CA -0.488 61.939 62.300 0.212 0.000 0.893 311 V CB 1.760 33.666 31.823 0.138 0.000 0.999 311 V HN 0.821 nan 8.190 nan 0.000 0.426 312 D N 2.251 122.844 120.400 0.322 0.000 2.696 312 D HA 0.355 4.995 4.640 -0.001 0.000 0.251 312 D C -1.839 174.733 176.300 0.452 0.000 1.188 312 D CA -0.286 53.918 54.000 0.339 0.000 0.876 312 D CB 1.639 42.575 40.800 0.227 0.000 1.334 312 D HN 0.408 nan 8.370 nan 0.000 0.540 313 Y N 5.154 125.572 120.300 0.197 0.000 2.328 313 Y HA 0.441 4.991 4.550 -0.001 0.000 0.333 313 Y C -1.006 174.896 175.900 0.003 0.000 0.958 313 Y CA -1.350 56.816 58.100 0.110 0.000 1.167 313 Y CB 0.726 39.239 38.460 0.088 0.000 1.151 313 Y HN 0.284 nan 8.280 nan 0.000 0.470 314 I N 8.630 129.006 120.570 -0.324 0.000 2.297 314 I HA 0.208 4.378 4.170 -0.001 0.000 0.291 314 I C -0.222 175.467 176.117 -0.714 0.000 1.033 314 I CA -0.495 60.391 61.300 -0.690 0.000 1.253 314 I CB 0.808 38.078 38.000 -1.216 0.000 1.396 314 I HN 0.591 nan 8.210 nan 0.000 0.476 315 I N 6.404 126.633 120.570 -0.569 0.000 2.260 315 I HA 0.074 4.243 4.170 -0.001 0.000 0.297 315 I C 0.732 176.799 176.117 -0.084 0.000 1.143 315 I CA -0.138 60.945 61.300 -0.362 0.000 1.271 315 I CB -0.194 37.677 38.000 -0.216 0.000 1.461 315 I HN 0.439 nan 8.210 nan 0.000 0.530 316 N N 4.928 123.555 118.700 -0.122 0.000 2.452 316 N HA 0.009 4.748 4.740 -0.001 0.000 0.266 316 N C 0.777 176.334 175.510 0.079 0.000 1.175 316 N CA 0.217 53.251 53.050 -0.028 0.000 0.945 316 N CB 0.937 39.390 38.487 -0.057 0.000 1.063 316 N HN 0.377 nan 8.380 nan 0.000 0.472 317 Q N 2.727 122.607 119.800 0.132 0.000 2.425 317 Q HA 0.196 4.536 4.340 -0.001 0.000 0.204 317 Q C 0.287 176.349 176.000 0.104 0.000 0.933 317 Q CA -0.051 55.840 55.803 0.147 0.000 0.939 317 Q CB 0.326 29.171 28.738 0.178 0.000 1.044 317 Q HN 0.637 nan 8.270 nan 0.000 0.513 318 I N 3.332 123.957 120.570 0.091 0.000 2.775 318 I HA -0.147 4.023 4.170 -0.001 0.000 0.290 318 I C 0.471 176.635 176.117 0.077 0.000 1.203 318 I CA 0.335 61.684 61.300 0.081 0.000 1.433 318 I CB 0.180 38.232 38.000 0.086 0.000 1.354 318 I HN 0.182 nan 8.210 nan 0.000 0.579 319 D N 3.058 123.502 120.400 0.073 0.000 2.277 319 D HA 0.205 4.845 4.640 -0.001 0.000 0.250 319 D C 0.781 177.125 176.300 0.073 0.000 1.032 319 D CA -0.657 53.385 54.000 0.070 0.000 0.947 319 D CB 1.079 41.918 40.800 0.065 0.000 1.159 319 D HN 0.418 nan 8.370 nan 0.000 0.460 320 S N 0.415 116.157 115.700 0.071 0.000 2.419 320 S HA -0.162 4.307 4.470 -0.001 0.000 0.235 320 S C 0.686 175.341 174.600 0.091 0.000 1.019 320 S CA 0.957 59.203 58.200 0.076 0.000 0.982 320 S CB -0.269 62.968 63.200 0.063 0.000 0.789 320 S HN 0.588 nan 8.310 nan 0.000 0.490 321 D N 1.206 121.656 120.400 0.083 0.000 2.340 321 D HA 0.080 4.719 4.640 -0.001 0.000 0.217 321 D C 0.306 176.678 176.300 0.120 0.000 1.081 321 D CA -0.106 53.945 54.000 0.086 0.000 0.842 321 D CB -0.420 40.408 40.800 0.048 0.000 0.934 321 D HN 0.312 nan 8.370 nan 0.000 0.511 322 N N 2.055 120.829 118.700 0.123 0.000 2.030 322 N HA -0.186 4.554 4.740 -0.001 0.000 0.292 322 N C 0.797 176.429 175.510 0.204 0.000 1.315 322 N CA 0.314 53.439 53.050 0.126 0.000 0.810 322 N CB 0.743 39.288 38.487 0.097 0.000 1.048 322 N HN -0.258 nan 8.380 nan 0.000 0.492 323 K N 3.654 124.155 120.400 0.169 0.000 2.555 323 K HA 0.127 4.447 4.320 -0.001 0.000 0.193 323 K C 1.144 177.929 176.600 0.307 0.000 1.032 323 K CA 0.387 56.810 56.287 0.228 0.000 1.004 323 K CB 0.062 32.629 32.500 0.113 0.000 0.804 323 K HN 0.605 nan 8.250 nan 0.000 0.496 324 L N -2.285 119.053 121.223 0.192 0.000 2.609 324 L HA 0.194 4.534 4.340 -0.001 0.000 0.230 324 L C 0.961 177.724 176.870 -0.178 0.000 1.087 324 L CA 0.503 55.379 54.840 0.060 0.000 0.874 324 L CB 0.451 42.516 42.059 0.010 0.000 1.114 324 L HN 0.381 nan 8.230 nan 0.000 0.488 325 G N 0.161 108.863 108.800 -0.163 0.000 2.179 325 G HA2 -0.227 3.733 3.960 -0.001 0.000 0.220 325 G HA3 -0.227 3.733 3.960 -0.001 0.000 0.220 325 G C 0.254 175.052 174.900 -0.170 0.000 0.990 325 G CA -0.083 44.756 45.100 -0.434 0.000 0.646 325 G HN 0.020 nan 8.290 nan 0.000 0.517 326 V N 1.796 121.670 119.914 -0.068 0.000 2.557 326 V HA 0.424 4.544 4.120 -0.001 0.000 0.301 326 V C 1.692 177.786 176.094 0.000 0.000 1.026 326 V CA 0.641 62.924 62.300 -0.028 0.000 1.137 326 V CB 0.664 32.492 31.823 0.008 0.000 0.917 326 V HN 0.817 nan 8.190 nan 0.000 0.484 327 G N 3.778 112.575 108.800 -0.005 0.000 2.491 327 G HA2 0.312 4.272 3.960 -0.001 0.000 0.238 327 G HA3 0.312 4.272 3.960 -0.001 0.000 0.238 327 G C 0.761 175.692 174.900 0.052 0.000 1.277 327 G CA 0.187 45.298 45.100 0.019 0.000 0.851 327 G HN 1.003 nan 8.290 nan 0.000 0.573 328 S N -0.095 115.640 115.700 0.058 0.000 2.629 328 S HA 0.195 4.664 4.470 -0.001 0.000 0.236 328 S C 0.008 174.645 174.600 0.062 0.000 1.010 328 S CA -0.471 57.768 58.200 0.066 0.000 0.981 328 S CB 0.529 63.769 63.200 0.066 0.000 0.919 328 S HN 0.503 nan 8.310 nan 0.000 0.514 329 D N 2.954 123.391 120.400 0.063 0.000 2.225 329 D HA 0.330 4.969 4.640 -0.001 0.000 0.249 329 D C -0.539 175.793 176.300 0.052 0.000 1.052 329 D CA -0.201 53.837 54.000 0.064 0.000 0.909 329 D CB 1.008 41.851 40.800 0.072 0.000 1.186 329 D HN 0.133 nan 8.370 nan 0.000 0.431 330 D N 0.317 120.749 120.400 0.054 0.000 2.354 330 D HA 0.201 4.841 4.640 -0.001 0.000 0.238 330 D C 0.039 176.382 176.300 0.072 0.000 1.250 330 D CA 0.465 54.480 54.000 0.026 0.000 0.911 330 D CB 0.570 41.459 40.800 0.148 0.000 1.163 330 D HN 0.084 nan 8.370 nan 0.000 0.456 331 T N -0.167 114.406 114.554 0.031 0.000 2.912 331 T HA 0.495 4.845 4.350 -0.001 0.000 0.299 331 T C -0.678 174.151 174.700 0.216 0.000 1.052 331 T CA -0.643 61.510 62.100 0.088 0.000 0.996 331 T CB 1.683 70.521 68.868 -0.051 0.000 1.070 331 T HN 0.020 nan 8.240 nan 0.000 0.465 332 V N 1.760 121.871 119.914 0.328 0.000 2.628 332 V HA 0.923 5.042 4.120 -0.001 0.000 0.306 332 V C -0.288 176.081 176.094 0.458 0.000 1.045 332 V CA -0.817 61.718 62.300 0.391 0.000 0.905 332 V CB 1.709 33.671 31.823 0.233 0.000 0.997 332 V HN 1.112 nan 8.190 nan 0.000 0.436 333 A N 3.670 126.750 122.820 0.434 0.000 2.393 333 A HA 0.902 5.222 4.320 -0.001 0.000 0.306 333 A C -1.210 176.562 177.584 0.313 0.000 1.050 333 A CA -0.547 51.734 52.037 0.405 0.000 0.724 333 A CB 1.907 21.030 19.000 0.205 0.000 1.248 333 A HN 0.704 nan 8.150 nan 0.000 0.424 334 V N 1.178 121.264 119.914 0.286 0.000 2.540 334 V HA 0.860 4.980 4.120 -0.001 0.000 0.302 334 V C 0.523 176.542 176.094 -0.126 0.000 1.035 334 V CA -0.001 62.352 62.300 0.089 0.000 0.873 334 V CB 1.645 33.598 31.823 0.217 0.000 0.992 334 V HN 1.359 nan 8.190 nan 0.000 0.428 335 G N 3.051 111.514 108.800 -0.562 0.000 2.659 335 G HA2 0.778 4.738 3.960 -0.001 0.000 0.296 335 G HA3 0.778 4.738 3.960 -0.001 0.000 0.296 335 G C -1.773 172.865 174.900 -0.437 0.000 1.369 335 G CA -0.657 44.085 45.100 -0.596 0.000 0.937 335 G HN 0.875 nan 8.290 nan 0.000 0.485 336 I N 1.031 121.508 120.570 -0.156 0.000 2.478 336 I HA 0.680 4.849 4.170 -0.001 0.000 0.287 336 I C -1.299 174.846 176.117 0.048 0.000 1.042 336 I CA -0.843 60.450 61.300 -0.013 0.000 1.067 336 I CB 1.956 39.968 38.000 0.020 0.000 1.233 336 I HN 0.272 nan 8.210 nan 0.000 0.431 337 V N 7.858 127.848 119.914 0.128 0.000 2.448 337 V HA 0.383 4.503 4.120 -0.001 0.000 0.295 337 V C -1.025 175.186 176.094 0.195 0.000 1.025 337 V CA -0.611 61.781 62.300 0.153 0.000 0.859 337 V CB 1.348 33.288 31.823 0.196 0.000 0.988 337 V HN 0.662 nan 8.190 nan 0.000 0.431 338 Y N 5.304 125.652 120.300 0.080 0.000 2.364 338 Y HA 0.690 5.240 4.550 -0.000 0.000 0.340 338 Y C -0.142 175.849 175.900 0.151 0.000 0.975 338 Y CA -0.382 57.781 58.100 0.106 0.000 1.089 338 Y CB 1.599 40.105 38.460 0.077 0.000 1.192 338 Y HN 0.766 nan 8.280 nan 0.000 0.454 339 Q N 6.072 125.538 119.800 -0.558 0.000 2.456 339 Q HA 0.675 5.015 4.340 -0.001 0.000 0.284 339 Q C -1.950 173.843 176.000 -0.345 0.000 1.061 339 Q CA -0.876 54.757 55.803 -0.283 0.000 0.799 339 Q CB 2.906 31.576 28.738 -0.114 0.000 1.445 339 Q HN 0.662 nan 8.270 nan 0.000 0.411 340 F N 0.000 119.827 119.950 -0.206 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.001 0.000 0.279 340 F CA 0.000 57.942 58.000 -0.097 0.000 1.383 340 F CB 0.000 39.006 39.000 0.010 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574