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 1mpf_1_A DATA FIRST_RESID 1 DATA SEQUENCE AEIYNKDGNK VDLYGKAVGL HYFSKGNGEN SYGGNGDMTY ARLGFKGETQ DATA SEQUENCE INSDLTGYGQ WEYNFQGNNS EGADAQTGNK TRLAFAGLKY ADVGSFDYGR DATA SEQUENCE NYGVVYDALG YTDMLPEFDG 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 0.197 0.000 1.274 1 A CA 0.000 52.163 52.037 0.210 0.000 0.836 1 A CB 0.000 19.191 19.000 0.319 0.000 0.831 2 E N 2.668 122.957 120.200 0.148 0.000 1.944 2 E HA 0.306 4.656 4.350 -0.000 0.000 0.272 2 E C 0.943 177.631 176.600 0.146 0.000 1.195 2 E CA -0.060 56.424 56.400 0.140 0.000 0.926 2 E CB -0.045 29.713 29.700 0.096 0.000 1.051 2 E HN 0.643 nan 8.360 nan 0.000 0.404 3 I N 2.595 123.274 120.570 0.182 0.000 2.584 3 I HA 0.097 4.267 4.170 -0.000 0.000 0.255 3 I C 0.177 176.419 176.117 0.208 0.000 1.145 3 I CA 0.212 61.619 61.300 0.178 0.000 1.462 3 I CB 0.041 38.149 38.000 0.181 0.000 1.102 3 I HN 0.343 nan 8.210 nan 0.000 0.433 4 Y N 2.034 122.373 120.300 0.065 0.000 2.562 4 Y HA 0.588 5.138 4.550 -0.000 0.000 0.343 4 Y C -0.903 175.026 175.900 0.048 0.000 1.025 4 Y CA -1.563 56.566 58.100 0.047 0.000 1.082 4 Y CB 1.453 39.934 38.460 0.034 0.000 1.264 4 Y HN 0.142 nan 8.280 nan 0.000 0.478 5 N N 3.416 121.692 118.700 -0.706 0.000 3.937 5 N HA 0.137 4.877 4.740 -0.000 0.000 0.161 5 N C -2.351 172.867 175.510 -0.486 0.000 1.467 5 N CA -0.331 52.469 53.050 -0.416 0.000 0.884 5 N CB 0.096 38.493 38.487 -0.150 0.000 1.743 5 N HN 0.535 nan 8.380 nan 0.000 0.725 6 K N 1.105 121.165 120.400 -0.566 0.000 2.527 6 K HA 0.366 4.686 4.320 -0.000 0.000 0.260 6 K C -0.900 175.656 176.600 -0.073 0.000 0.937 6 K CA -0.433 55.677 56.287 -0.294 0.000 0.826 6 K CB 1.410 33.712 32.500 -0.330 0.000 1.359 6 K HN 0.344 nan 8.250 nan 0.000 0.434 7 D N 0.973 121.362 120.400 -0.018 0.000 2.699 7 D HA -0.165 4.475 4.640 -0.000 0.000 0.239 7 D C 0.748 177.076 176.300 0.046 0.000 1.136 7 D CA 1.803 55.821 54.000 0.030 0.000 0.668 7 D CB -1.159 39.678 40.800 0.063 0.000 1.060 7 D HN 1.008 nan 8.370 nan 0.000 0.429 8 G N -0.229 108.589 108.800 0.030 0.000 2.175 8 G HA2 -0.384 3.576 3.960 -0.000 0.000 0.265 8 G HA3 -0.384 3.576 3.960 -0.000 0.000 0.265 8 G C 0.153 175.097 174.900 0.073 0.000 0.979 8 G CA 0.626 45.754 45.100 0.047 0.000 0.663 8 G HN 0.695 nan 8.290 nan 0.000 0.533 9 N N 0.062 118.818 118.700 0.094 0.000 2.314 9 N HA 0.621 5.361 4.740 -0.000 0.000 0.294 9 N C -0.564 175.044 175.510 0.164 0.000 1.029 9 N CA -0.632 52.509 53.050 0.151 0.000 0.845 9 N CB 0.912 39.524 38.487 0.208 0.000 1.321 9 N HN 0.542 nan 8.380 nan 0.000 0.481 10 K N 1.051 121.552 120.400 0.168 0.000 2.482 10 K HA 0.624 4.944 4.320 -0.000 0.000 0.251 10 K C -1.603 175.124 176.600 0.211 0.000 0.936 10 K CA -0.877 55.509 56.287 0.165 0.000 0.791 10 K CB 1.615 34.167 32.500 0.088 0.000 1.213 10 K HN 0.125 nan 8.250 nan 0.000 0.428 11 V N 1.919 121.989 119.914 0.260 0.000 2.483 11 V HA 0.317 4.437 4.120 -0.000 0.000 0.295 11 V C -0.887 175.341 176.094 0.224 0.000 1.035 11 V CA -0.557 61.883 62.300 0.234 0.000 0.896 11 V CB 1.584 33.520 31.823 0.190 0.000 0.986 11 V HN 0.922 nan 8.190 nan 0.000 0.447 12 D N 3.894 124.440 120.400 0.244 0.000 2.471 12 D HA 0.335 4.975 4.640 -0.000 0.000 0.245 12 D C -1.043 175.434 176.300 0.296 0.000 1.116 12 D CA -0.442 53.703 54.000 0.243 0.000 0.853 12 D CB 1.745 42.672 40.800 0.213 0.000 1.123 12 D HN 0.366 nan 8.370 nan 0.000 0.540 13 L N 6.212 127.592 121.223 0.261 0.000 2.265 13 L HA 0.400 4.740 4.340 -0.000 0.000 0.288 13 L C -1.196 175.779 176.870 0.175 0.000 1.058 13 L CA -0.359 54.619 54.840 0.231 0.000 0.809 13 L CB 0.149 42.369 42.059 0.269 0.000 1.179 13 L HN 0.340 nan 8.230 nan 0.000 0.429 14 Y N 3.162 123.413 120.300 -0.083 0.000 2.633 14 Y HA 1.025 5.575 4.550 0.000 0.000 0.339 14 Y C -0.009 175.439 175.900 -0.754 0.000 1.045 14 Y CA -0.812 56.979 58.100 -0.514 0.000 1.098 14 Y CB 1.549 39.828 38.460 -0.301 0.000 1.296 14 Y HN 0.780 nan 8.280 nan 0.000 0.494 15 G N 0.808 109.057 108.800 -0.917 0.000 2.316 15 G HA2 0.505 4.465 3.960 -0.000 0.000 0.296 15 G HA3 0.505 4.465 3.960 -0.000 0.000 0.296 15 G C -2.343 172.420 174.900 -0.227 0.000 1.399 15 G CA -1.014 43.815 45.100 -0.453 0.000 0.833 15 G HN 1.064 nan 8.290 nan 0.000 0.565 16 K N -1.443 119.010 120.400 0.088 0.000 2.562 16 K HA 0.775 5.095 4.320 -0.000 0.000 0.267 16 K C -0.977 175.702 176.600 0.132 0.000 0.938 16 K CA -0.771 55.604 56.287 0.148 0.000 0.840 16 K CB 2.157 34.689 32.500 0.053 0.000 1.390 16 K HN 1.527 nan 8.250 nan 0.000 0.428 17 A N 2.184 125.102 122.820 0.163 0.000 2.258 17 A HA 0.562 4.882 4.320 -0.000 0.000 0.316 17 A C -0.886 176.673 177.584 -0.043 0.000 1.279 17 A CA -0.759 51.308 52.037 0.049 0.000 0.876 17 A CB 1.046 20.110 19.000 0.107 0.000 1.170 17 A HN 0.398 nan 8.150 nan 0.000 0.520 18 V N 2.993 122.750 119.914 -0.262 0.000 2.334 18 V HA 0.526 4.646 4.120 -0.000 0.000 0.281 18 V C 0.874 176.860 176.094 -0.180 0.000 1.016 18 V CA -0.236 61.904 62.300 -0.267 0.000 0.832 18 V CB 1.506 32.991 31.823 -0.564 0.000 0.999 18 V HN 1.057 nan 8.190 nan 0.000 0.439 19 G N 4.971 113.734 108.800 -0.061 0.000 2.338 19 G HA2 0.539 4.499 3.960 -0.000 0.000 0.295 19 G HA3 0.539 4.499 3.960 -0.000 0.000 0.295 19 G C -1.041 173.857 174.900 -0.002 0.000 1.132 19 G CA -0.096 44.987 45.100 -0.028 0.000 0.922 19 G HN 0.534 nan 8.290 nan 0.000 0.427 20 L N 2.139 123.377 121.223 0.025 0.000 2.422 20 L HA 0.771 5.111 4.340 -0.000 0.000 0.264 20 L C -1.163 175.742 176.870 0.058 0.000 0.984 20 L CA -1.074 53.805 54.840 0.064 0.000 0.819 20 L CB 2.477 44.610 42.059 0.124 0.000 1.330 20 L HN 0.622 nan 8.230 nan 0.000 0.410 21 H N 2.630 121.700 119.070 0.001 0.000 2.771 21 H HA 0.620 5.176 4.556 -0.000 0.000 0.361 21 H C -1.763 173.620 175.328 0.092 0.000 1.108 21 H CA -0.327 55.659 56.048 -0.102 0.000 1.201 21 H CB 1.259 30.881 29.762 -0.232 0.000 1.681 21 H HN 0.461 nan 8.280 nan 0.000 0.534 22 Y N 4.135 124.097 120.300 -0.562 0.000 2.352 22 Y HA 0.326 4.876 4.550 -0.000 0.000 0.339 22 Y C -0.896 174.818 175.900 -0.310 0.000 0.992 22 Y CA -1.320 56.660 58.100 -0.201 0.000 1.100 22 Y CB 0.684 39.103 38.460 -0.069 0.000 1.192 22 Y HN 0.510 nan 8.280 nan 0.000 0.458 23 F N 1.637 121.737 119.950 0.250 0.000 2.375 23 F HA 0.586 5.113 4.527 -0.000 0.000 0.361 23 F C -0.012 175.878 175.800 0.150 0.000 1.117 23 F CA -0.454 57.662 58.000 0.194 0.000 1.037 23 F CB 1.448 40.552 39.000 0.173 0.000 1.192 23 F HN 0.196 nan 8.300 nan 0.000 0.452 24 S N 2.144 118.008 115.700 0.274 0.000 2.540 24 S HA 0.444 4.914 4.470 -0.000 0.000 0.275 24 S C -0.812 173.885 174.600 0.162 0.000 1.123 24 S CA -1.429 56.892 58.200 0.202 0.000 0.907 24 S CB 2.016 65.318 63.200 0.170 0.000 1.081 24 S HN 0.579 nan 8.310 nan 0.000 0.476 25 K N 0.991 121.474 120.400 0.138 0.000 2.219 25 K HA 0.634 4.954 4.320 -0.000 0.000 0.258 25 K C 0.864 177.519 176.600 0.092 0.000 1.008 25 K CA 0.023 56.377 56.287 0.111 0.000 0.928 25 K CB -0.162 32.395 32.500 0.095 0.000 0.983 25 K HN 0.990 nan 8.250 nan 0.000 0.484 26 G N 1.474 110.322 108.800 0.079 0.000 2.525 26 G HA2 -0.327 3.633 3.960 -0.000 0.000 0.248 26 G HA3 -0.327 3.633 3.960 -0.000 0.000 0.248 26 G C -0.140 174.797 174.900 0.062 0.000 1.238 26 G CA 0.213 45.352 45.100 0.065 0.000 0.926 26 G HN 0.770 nan 8.290 nan 0.000 0.574 27 N N 2.166 120.897 118.700 0.052 0.000 2.327 27 N HA 0.357 5.097 4.740 -0.000 0.000 0.231 27 N C 1.785 177.321 175.510 0.044 0.000 1.130 27 N CA 1.404 54.480 53.050 0.043 0.000 0.845 27 N CB -0.777 37.730 38.487 0.034 0.000 1.073 27 N HN 2.065 nan 8.380 nan 0.000 0.496 28 G N 0.795 109.630 108.800 0.059 0.000 2.200 28 G HA2 -0.383 3.577 3.960 -0.000 0.000 0.268 28 G HA3 -0.383 3.577 3.960 -0.000 0.000 0.268 28 G C 0.838 175.767 174.900 0.049 0.000 0.986 28 G CA 0.963 46.103 45.100 0.066 0.000 0.677 28 G HN 0.582 nan 8.290 nan 0.000 0.532 29 E N -0.131 120.093 120.200 0.040 0.000 2.072 29 E HA -0.068 4.282 4.350 -0.000 0.000 0.191 29 E C 1.958 178.575 176.600 0.029 0.000 0.985 29 E CA 0.890 57.306 56.400 0.028 0.000 0.801 29 E CB -0.184 29.532 29.700 0.028 0.000 0.750 29 E HN 0.560 nan 8.360 nan 0.000 0.452 30 N N 0.615 119.341 118.700 0.044 0.000 2.268 30 N HA -0.020 4.719 4.740 -0.000 0.000 0.204 30 N C -0.265 175.282 175.510 0.061 0.000 1.124 30 N CA 0.092 53.172 53.050 0.050 0.000 0.838 30 N CB 0.442 38.965 38.487 0.061 0.000 0.994 30 N HN 0.089 nan 8.380 nan 0.000 0.489 31 S N -1.036 114.703 115.700 0.065 0.000 2.730 31 S HA 0.109 4.579 4.470 -0.000 0.000 0.284 31 S C 1.009 175.658 174.600 0.080 0.000 1.153 31 S CA -0.720 57.533 58.200 0.089 0.000 0.995 31 S CB 0.832 64.096 63.200 0.107 0.000 1.058 31 S HN 0.241 nan 8.310 nan 0.000 0.552 32 Y N 1.237 121.511 120.300 -0.043 0.000 2.092 32 Y HA 0.185 4.735 4.550 0.000 0.000 0.282 32 Y C 2.208 178.071 175.900 -0.062 0.000 1.126 32 Y CA 2.070 60.106 58.100 -0.108 0.000 1.111 32 Y CB -1.017 37.277 38.460 -0.276 0.000 0.987 32 Y HN 0.743 nan 8.280 nan 0.000 0.489 33 G N -0.725 108.044 108.800 -0.052 0.000 2.939 33 G HA2 0.398 4.358 3.960 -0.000 0.000 0.210 33 G HA3 0.398 4.358 3.960 -0.000 0.000 0.210 33 G C 0.552 175.590 174.900 0.230 0.000 1.160 33 G CA 0.417 45.534 45.100 0.029 0.000 0.770 33 G HN 0.970 nan 8.290 nan 0.000 0.543 34 G N -0.293 108.600 108.800 0.156 0.000 2.660 34 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.247 34 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.247 34 G C -0.811 174.207 174.900 0.196 0.000 1.328 34 G CA -0.103 45.084 45.100 0.145 0.000 0.884 34 G HN 0.808 nan 8.290 nan 0.000 0.531 35 N N 0.174 118.932 118.700 0.096 0.000 2.264 35 N HA 0.647 5.387 4.740 -0.000 0.000 0.288 35 N C 0.125 175.554 175.510 -0.135 0.000 1.094 35 N CA 1.002 54.072 53.050 0.033 0.000 0.817 35 N CB 1.849 40.366 38.487 0.050 0.000 1.604 35 N HN 2.606 nan 8.380 nan 0.000 0.473 36 G N 1.901 110.464 108.800 -0.395 0.000 2.362 36 G HA2 -0.134 3.826 3.960 -0.000 0.000 0.517 36 G HA3 -0.134 3.826 3.960 -0.000 0.000 0.517 36 G C -1.333 173.049 174.900 -0.865 0.000 1.256 36 G CA -0.587 44.152 45.100 -0.602 0.000 1.027 36 G HN 0.720 nan 8.290 nan 0.000 0.491 37 D N 0.114 120.260 120.400 -0.423 0.000 2.455 37 D HA 0.470 5.110 4.640 -0.000 0.000 0.241 37 D C 1.202 177.350 176.300 -0.253 0.000 1.138 37 D CA 0.380 54.272 54.000 -0.181 0.000 0.877 37 D CB 0.299 41.094 40.800 -0.009 0.000 1.187 37 D HN 0.376 nan 8.370 nan 0.000 0.451 38 M N 2.433 121.892 119.600 -0.235 0.000 3.039 38 M HA 0.069 4.549 4.480 -0.000 0.000 0.442 38 M C -0.278 176.014 176.300 -0.013 0.000 1.408 38 M CA -0.374 54.774 55.300 -0.254 0.000 0.804 38 M CB -0.033 32.174 32.600 -0.654 0.000 1.471 38 M HN 0.219 nan 8.290 nan 0.000 0.516 39 T N 2.545 117.113 114.554 0.023 0.000 2.940 39 T HA 0.300 4.650 4.350 -0.000 0.000 0.309 39 T C -0.445 174.343 174.700 0.147 0.000 1.056 39 T CA 0.721 62.854 62.100 0.054 0.000 1.137 39 T CB 0.223 69.098 68.868 0.011 0.000 0.976 39 T HN 0.442 nan 8.240 nan 0.000 0.547 40 Y N -0.627 119.692 120.300 0.032 0.000 2.788 40 Y HA 0.745 5.295 4.550 -0.000 0.000 0.335 40 Y C -1.134 174.830 175.900 0.105 0.000 1.287 40 Y CA -1.777 56.361 58.100 0.063 0.000 1.068 40 Y CB 0.680 39.160 38.460 0.034 0.000 1.340 40 Y HN 0.774 nan 8.280 nan 0.000 0.449 41 A N 1.404 124.323 122.820 0.164 0.000 2.566 41 A HA 0.963 5.283 4.320 -0.000 0.000 0.292 41 A C -1.513 176.292 177.584 0.369 0.000 1.112 41 A CA -1.207 50.917 52.037 0.146 0.000 0.707 41 A CB 2.045 21.139 19.000 0.157 0.000 1.302 41 A HN 0.680 nan 8.150 nan 0.000 0.409 42 R N -0.339 120.333 120.500 0.286 0.000 2.725 42 R HA 0.732 5.072 4.340 -0.000 0.000 0.277 42 R C -2.125 174.278 176.300 0.170 0.000 0.987 42 R CA -0.674 55.566 56.100 0.233 0.000 0.901 42 R CB 1.831 32.234 30.300 0.172 0.000 1.207 42 R HN 0.625 nan 8.270 nan 0.000 0.463 43 L N 0.083 121.344 121.223 0.065 0.000 2.455 43 L HA 0.810 5.150 4.340 -0.000 0.000 0.264 43 L C -0.600 175.958 176.870 -0.520 0.000 0.968 43 L CA -0.074 54.727 54.840 -0.065 0.000 0.827 43 L CB 2.397 44.620 42.059 0.273 0.000 1.317 43 L HN 0.814 nan 8.230 nan 0.000 0.407 44 G N 2.184 110.479 108.800 -0.842 0.000 2.600 44 G HA2 0.648 4.608 3.960 -0.000 0.000 0.293 44 G HA3 0.648 4.608 3.960 -0.000 0.000 0.293 44 G C -2.001 172.474 174.900 -0.707 0.000 1.408 44 G CA -0.388 44.078 45.100 -1.056 0.000 0.782 44 G HN 0.704 nan 8.290 nan 0.000 0.482 45 F N -1.195 118.605 119.950 -0.249 0.000 2.613 45 F HA 0.864 5.391 4.527 -0.000 0.000 0.310 45 F C -0.906 175.005 175.800 0.185 0.000 1.085 45 F CA -1.564 56.451 58.000 0.024 0.000 0.945 45 F CB 2.207 41.282 39.000 0.124 0.000 1.298 45 F HN 0.321 nan 8.300 nan 0.000 0.455 46 K N 2.601 123.262 120.400 0.434 0.000 2.621 46 K HA 0.519 4.839 4.320 -0.000 0.000 0.233 46 K C -0.345 176.460 176.600 0.341 0.000 0.972 46 K CA -0.705 55.755 56.287 0.288 0.000 0.988 46 K CB 1.863 34.492 32.500 0.215 0.000 1.187 46 K HN 1.043 nan 8.250 nan 0.000 0.471 47 G N 1.532 110.571 108.800 0.398 0.000 2.462 47 G HA2 0.419 4.379 3.960 -0.000 0.000 0.319 47 G HA3 0.419 4.379 3.960 -0.000 0.000 0.319 47 G C -1.014 174.045 174.900 0.265 0.000 1.171 47 G CA -0.175 45.110 45.100 0.309 0.000 0.920 47 G HN 0.549 nan 8.290 nan 0.000 0.499 48 E N -0.621 119.712 120.200 0.221 0.000 2.415 48 E HA 0.375 4.725 4.350 -0.000 0.000 0.302 48 E C -1.637 175.066 176.600 0.171 0.000 0.907 48 E CA -0.569 55.962 56.400 0.218 0.000 0.798 48 E CB 1.776 31.584 29.700 0.181 0.000 1.315 48 E HN 0.484 nan 8.360 nan 0.000 0.396 49 T N 3.127 117.778 114.554 0.162 0.000 2.824 49 T HA 0.283 4.633 4.350 -0.000 0.000 0.282 49 T C -0.795 173.973 174.700 0.114 0.000 0.993 49 T CA -0.457 61.718 62.100 0.125 0.000 0.967 49 T CB 1.491 70.423 68.868 0.107 0.000 0.960 49 T HN 0.464 nan 8.240 nan 0.000 0.441 50 Q N 4.647 124.503 119.800 0.095 0.000 2.423 50 Q HA 0.284 4.624 4.340 -0.000 0.000 0.235 50 Q C 1.101 177.142 176.000 0.069 0.000 1.100 50 Q CA -0.225 55.629 55.803 0.085 0.000 0.908 50 Q CB 0.480 29.261 28.738 0.072 0.000 1.312 50 Q HN 0.739 nan 8.270 nan 0.000 0.497 51 I N 2.074 122.684 120.570 0.066 0.000 2.454 51 I HA -0.280 3.890 4.170 -0.000 0.000 0.254 51 I C 0.328 176.468 176.117 0.038 0.000 1.156 51 I CA 0.993 62.319 61.300 0.044 0.000 1.433 51 I CB -0.195 37.823 38.000 0.029 0.000 1.082 51 I HN 0.681 nan 8.210 nan 0.000 0.432 52 N N -3.921 114.809 118.700 0.051 0.000 3.717 52 N HA 0.039 4.779 4.740 -0.000 0.000 0.239 52 N C 0.113 175.666 175.510 0.072 0.000 1.388 52 N CA -0.175 52.906 53.050 0.052 0.000 0.828 52 N CB 0.286 38.797 38.487 0.040 0.000 1.468 52 N HN -0.337 nan 8.380 nan 0.000 0.445 53 S N -0.841 114.903 115.700 0.074 0.000 2.380 53 S HA -0.158 4.312 4.470 -0.000 0.000 0.229 53 S C 0.427 175.096 174.600 0.115 0.000 1.043 53 S CA 1.837 60.087 58.200 0.084 0.000 1.038 53 S CB -0.586 62.659 63.200 0.075 0.000 0.872 53 S HN 0.647 nan 8.310 nan 0.000 0.456 54 D N -0.354 120.144 120.400 0.165 0.000 2.301 54 D HA 0.147 4.787 4.640 -0.000 0.000 0.206 54 D C 0.214 176.698 176.300 0.306 0.000 0.979 54 D CA 0.118 54.273 54.000 0.258 0.000 0.874 54 D CB -0.029 41.049 40.800 0.463 0.000 0.968 54 D HN 0.237 nan 8.370 nan 0.000 0.510 55 L N 0.962 122.301 121.223 0.194 0.000 2.295 55 L HA 0.372 4.712 4.340 -0.000 0.000 0.285 55 L C -0.581 176.366 176.870 0.129 0.000 1.035 55 L CA 0.158 55.080 54.840 0.137 0.000 0.806 55 L CB 1.909 43.963 42.059 -0.008 0.000 1.214 55 L HN -0.304 nan 8.230 nan 0.000 0.426 56 T N 3.686 118.339 114.554 0.165 0.000 2.881 56 T HA 0.734 5.084 4.350 -0.000 0.000 0.290 56 T C -0.225 174.603 174.700 0.213 0.000 1.000 56 T CA -0.457 61.755 62.100 0.187 0.000 0.978 56 T CB 1.526 70.525 68.868 0.217 0.000 0.997 56 T HN 0.796 nan 8.240 nan 0.000 0.443 57 G N 1.897 110.796 108.800 0.165 0.000 2.441 57 G HA2 0.774 4.734 3.960 -0.000 0.000 0.334 57 G HA3 0.774 4.734 3.960 -0.000 0.000 0.334 57 G C -1.607 173.396 174.900 0.172 0.000 1.161 57 G CA -0.706 44.435 45.100 0.068 0.000 0.935 57 G HN 0.725 nan 8.290 nan 0.000 0.488 58 Y N -1.802 118.578 120.300 0.132 0.000 2.713 58 Y HA 0.805 5.355 4.550 0.000 0.000 0.335 58 Y C -0.096 175.876 175.900 0.122 0.000 1.222 58 Y CA -1.228 56.950 58.100 0.130 0.000 1.061 58 Y CB 1.040 39.581 38.460 0.134 0.000 1.314 58 Y HN 1.059 nan 8.280 nan 0.000 0.453 59 G N 0.255 109.234 108.800 0.298 0.000 2.660 59 G HA2 0.557 4.517 3.960 -0.000 0.000 0.290 59 G HA3 0.557 4.517 3.960 -0.000 0.000 0.290 59 G C -2.362 172.458 174.900 -0.135 0.000 1.432 59 G CA -0.976 44.169 45.100 0.075 0.000 0.807 59 G HN 0.934 nan 8.290 nan 0.000 0.485 60 Q N -0.745 118.699 119.800 -0.593 0.000 2.378 60 Q HA 0.489 4.829 4.340 -0.000 0.000 0.262 60 Q C -2.444 173.110 176.000 -0.743 0.000 0.978 60 Q CA -0.771 54.584 55.803 -0.748 0.000 0.918 60 Q CB 2.248 30.530 28.738 -0.760 0.000 1.415 60 Q HN 0.803 nan 8.270 nan 0.000 0.409 61 W N 3.824 124.494 121.300 -1.050 0.000 2.883 61 W HA 0.665 5.325 4.660 -0.000 0.000 0.335 61 W C -1.781 174.492 176.519 -0.410 0.000 1.083 61 W CA -0.371 56.582 57.345 -0.654 0.000 1.233 61 W CB 1.719 30.814 29.460 -0.609 0.000 1.412 61 W HN 0.731 nan 8.180 nan 0.000 0.490 62 E N 5.116 124.686 120.200 -1.050 0.000 2.275 62 E HA 0.316 4.665 4.350 -0.000 0.000 0.270 62 E C -2.224 173.739 176.600 -1.062 0.000 0.882 62 E CA -0.771 55.075 56.400 -0.924 0.000 0.758 62 E CB 2.072 31.581 29.700 -0.319 0.000 1.195 62 E HN 0.536 nan 8.360 nan 0.000 0.419 63 Y N 2.885 122.490 120.300 -1.157 0.000 2.598 63 Y HA 0.474 5.024 4.550 -0.000 0.000 0.340 63 Y C -1.039 174.522 175.900 -0.564 0.000 1.038 63 Y CA -0.887 56.711 58.100 -0.836 0.000 1.100 63 Y CB 1.911 39.856 38.460 -0.858 0.000 1.281 63 Y HN 0.599 nan 8.280 nan 0.000 0.488 64 N N 2.745 121.005 118.700 -0.734 0.000 2.531 64 N HA 0.310 5.050 4.740 -0.000 0.000 0.268 64 N C -2.230 173.113 175.510 -0.279 0.000 1.023 64 N CA -0.344 52.483 53.050 -0.371 0.000 0.896 64 N CB 0.273 38.551 38.487 -0.349 0.000 1.233 64 N HN 0.366 nan 8.380 nan 0.000 0.512 65 F N 2.130 122.212 119.950 0.220 0.000 2.368 65 F HA 0.333 4.860 4.527 -0.000 0.000 0.362 65 F C 0.814 176.717 175.800 0.173 0.000 1.137 65 F CA -0.608 57.531 58.000 0.232 0.000 1.161 65 F CB 0.756 39.885 39.000 0.216 0.000 1.265 65 F HN 0.245 nan 8.300 nan 0.000 0.530 66 Q N 1.640 121.595 119.800 0.259 0.000 2.361 66 Q HA 0.157 4.497 4.340 -0.000 0.000 0.276 66 Q C 1.061 177.172 176.000 0.186 0.000 1.022 66 Q CA 0.362 56.280 55.803 0.192 0.000 0.898 66 Q CB 1.218 30.012 28.738 0.093 0.000 1.246 66 Q HN 0.902 nan 8.270 nan 0.000 0.410 67 G N 1.615 110.507 108.800 0.154 0.000 3.519 67 G HA2 -0.034 3.926 3.960 -0.000 0.000 0.269 67 G HA3 -0.034 3.926 3.960 -0.000 0.000 0.269 67 G C 0.315 175.248 174.900 0.055 0.000 1.028 67 G CA -0.281 44.876 45.100 0.096 0.000 0.809 67 G HN 0.603 nan 8.290 nan 0.000 0.521 68 N N 0.300 119.028 118.700 0.045 0.000 2.275 68 N HA 0.112 4.852 4.740 -0.000 0.000 0.236 68 N C -0.516 175.000 175.510 0.010 0.000 1.154 68 N CA -0.514 52.544 53.050 0.013 0.000 0.866 68 N CB 0.172 38.648 38.487 -0.018 0.000 1.093 68 N HN -0.029 nan 8.380 nan 0.000 0.515 69 N N 0.441 119.156 118.700 0.026 0.000 2.443 69 N HA 0.217 4.957 4.740 -0.000 0.000 0.293 69 N C 0.234 175.757 175.510 0.021 0.000 1.159 69 N CA -0.346 52.718 53.050 0.023 0.000 0.904 69 N CB 1.842 40.350 38.487 0.036 0.000 1.214 69 N HN 0.286 nan 8.380 nan 0.000 0.513 70 S N -0.303 115.407 115.700 0.016 0.000 2.640 70 S HA 0.175 4.645 4.470 -0.000 0.000 0.262 70 S C 0.597 175.208 174.600 0.018 0.000 1.232 70 S CA -0.222 57.986 58.200 0.014 0.000 0.988 70 S CB 0.655 63.861 63.200 0.010 0.000 1.034 70 S HN 0.536 nan 8.310 nan 0.000 0.569 71 E N -0.100 120.108 120.200 0.014 0.000 2.463 71 E HA 0.212 4.562 4.350 -0.000 0.000 0.193 71 E C 1.086 177.695 176.600 0.014 0.000 1.041 71 E CA -0.076 56.333 56.400 0.015 0.000 0.879 71 E CB 0.070 29.776 29.700 0.008 0.000 0.997 71 E HN 0.707 nan 8.360 nan 0.000 0.478 72 G N 0.728 109.536 108.800 0.014 0.000 2.546 72 G HA2 0.204 4.164 3.960 -0.000 0.000 0.239 72 G HA3 0.204 4.164 3.960 -0.000 0.000 0.239 72 G C 1.090 175.999 174.900 0.016 0.000 1.476 72 G CA 0.222 45.329 45.100 0.012 0.000 1.064 72 G HN 0.167 nan 8.290 nan 0.000 0.561 73 A N 0.062 122.890 122.820 0.013 0.000 1.940 73 A HA -0.072 4.248 4.320 -0.000 0.000 0.219 73 A C 1.856 179.450 177.584 0.017 0.000 1.176 73 A CA 2.222 54.268 52.037 0.014 0.000 0.631 73 A CB -0.532 18.475 19.000 0.010 0.000 0.814 73 A HN 0.665 nan 8.150 nan 0.000 0.446 74 D N -0.233 120.177 120.400 0.016 0.000 2.336 74 D HA 0.236 4.876 4.640 -0.000 0.000 0.229 74 D C 1.513 177.829 176.300 0.027 0.000 1.061 74 D CA 0.738 54.748 54.000 0.017 0.000 0.875 74 D CB -0.134 40.673 40.800 0.011 0.000 0.904 74 D HN 0.362 nan 8.370 nan 0.000 0.525 75 A N 1.144 123.984 122.820 0.033 0.000 1.958 75 A HA -0.255 4.065 4.320 -0.000 0.000 0.221 75 A C 2.240 179.867 177.584 0.070 0.000 1.178 75 A CA 1.365 53.431 52.037 0.048 0.000 0.642 75 A CB -0.316 18.712 19.000 0.047 0.000 0.816 75 A HN 0.149 nan 8.150 nan 0.000 0.453 76 Q N -0.389 119.452 119.800 0.067 0.000 2.331 76 Q HA 0.016 4.356 4.340 -0.000 0.000 0.203 76 Q C 0.305 176.343 176.000 0.062 0.000 0.944 76 Q CA 0.461 56.315 55.803 0.086 0.000 0.892 76 Q CB -0.763 28.022 28.738 0.078 0.000 0.983 76 Q HN 0.551 nan 8.270 nan 0.000 0.482 77 T N 1.049 115.625 114.554 0.036 0.000 2.819 77 T HA 0.099 4.449 4.350 -0.000 0.000 0.282 77 T C 1.223 175.924 174.700 0.002 0.000 1.013 77 T CA 1.379 63.486 62.100 0.012 0.000 1.159 77 T CB 0.113 68.982 68.868 0.002 0.000 1.007 77 T HN 0.630 nan 8.240 nan 0.000 0.514 78 G N 3.723 112.507 108.800 -0.028 0.000 2.253 78 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.251 78 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.251 78 G C 0.235 175.080 174.900 -0.092 0.000 0.998 78 G CA -0.158 44.905 45.100 -0.061 0.000 0.621 78 G HN 0.693 nan 8.290 nan 0.000 0.524 79 N N 1.665 120.333 118.700 -0.054 0.000 2.482 79 N HA 0.554 5.294 4.740 -0.000 0.000 0.260 79 N C 0.341 175.658 175.510 -0.321 0.000 1.236 79 N CA 0.911 53.885 53.050 -0.127 0.000 0.938 79 N CB 0.935 39.491 38.487 0.114 0.000 1.128 79 N HN 0.917 nan 8.380 nan 0.000 0.448 80 K N -1.681 118.231 120.400 -0.813 0.000 2.818 80 K HA 0.207 4.527 4.320 -0.000 0.000 0.287 80 K C -1.581 174.289 176.600 -1.217 0.000 1.061 80 K CA -0.740 55.063 56.287 -0.807 0.000 0.858 80 K CB 0.160 32.410 32.500 -0.416 0.000 1.456 80 K HN 0.253 nan 8.250 nan 0.000 0.364 81 T N 1.725 115.894 114.554 -0.640 0.000 2.780 81 T HA 0.276 4.626 4.350 -0.000 0.000 0.294 81 T C 0.969 175.479 174.700 -0.317 0.000 0.949 81 T CA -0.364 61.531 62.100 -0.343 0.000 1.074 81 T CB 0.873 69.850 68.868 0.181 0.000 0.910 81 T HN 0.498 nan 8.240 nan 0.000 0.501 82 R N 2.380 122.664 120.500 -0.360 0.000 2.105 82 R HA 0.337 4.677 4.340 -0.000 0.000 0.214 82 R C 0.181 176.320 176.300 -0.268 0.000 1.091 82 R CA 0.634 56.545 56.100 -0.314 0.000 1.007 82 R CB 0.233 30.343 30.300 -0.317 0.000 0.912 82 R HN 0.439 nan 8.270 nan 0.000 0.450 83 L N -0.906 120.186 121.223 -0.218 0.000 2.371 83 L HA 0.739 5.079 4.340 -0.000 0.000 0.262 83 L C -1.277 175.577 176.870 -0.026 0.000 1.006 83 L CA -1.217 53.568 54.840 -0.092 0.000 0.818 83 L CB 2.407 44.446 42.059 -0.033 0.000 1.354 83 L HN -0.040 nan 8.230 nan 0.000 0.415 84 A N 2.867 125.733 122.820 0.076 0.000 2.483 84 A HA 0.649 4.969 4.320 -0.000 0.000 0.298 84 A C -1.326 176.326 177.584 0.114 0.000 1.052 84 A CA -0.388 51.685 52.037 0.060 0.000 0.978 84 A CB 0.356 19.447 19.000 0.151 0.000 1.506 84 A HN 0.671 nan 8.150 nan 0.000 0.388 85 F N -0.330 119.622 119.950 0.004 0.000 2.703 85 F HA 0.906 5.433 4.527 -0.000 0.000 0.308 85 F C -0.354 175.475 175.800 0.048 0.000 1.126 85 F CA -0.583 57.417 58.000 -0.000 0.000 0.959 85 F CB 0.764 39.739 39.000 -0.042 0.000 1.297 85 F HN 1.039 nan 8.300 nan 0.000 0.441 86 A N 0.883 123.842 122.820 0.231 0.000 2.386 86 A HA 1.071 5.391 4.320 -0.000 0.000 0.308 86 A C -0.312 177.291 177.584 0.031 0.000 1.128 86 A CA -0.503 51.583 52.037 0.082 0.000 0.789 86 A CB 1.380 20.416 19.000 0.060 0.000 1.325 86 A HN 2.138 nan 8.150 nan 0.000 0.437 87 G N -1.209 107.367 108.800 -0.373 0.000 2.488 87 G HA2 0.578 4.538 3.960 -0.000 0.000 0.301 87 G HA3 0.578 4.538 3.960 -0.000 0.000 0.301 87 G C -2.013 172.477 174.900 -0.683 0.000 1.339 87 G CA -0.565 44.251 45.100 -0.474 0.000 0.803 87 G HN 0.876 nan 8.290 nan 0.000 0.482 88 L N -0.514 120.584 121.223 -0.209 0.000 2.424 88 L HA 0.641 4.981 4.340 -0.000 0.000 0.258 88 L C -0.706 176.350 176.870 0.310 0.000 0.995 88 L CA -0.861 54.001 54.840 0.037 0.000 0.821 88 L CB 2.856 44.976 42.059 0.102 0.000 1.383 88 L HN 0.483 nan 8.230 nan 0.000 0.410 89 K N 1.652 122.259 120.400 0.345 0.000 2.426 89 K HA 0.490 4.810 4.320 -0.000 0.000 0.254 89 K C -1.796 174.992 176.600 0.313 0.000 0.936 89 K CA -0.777 55.701 56.287 0.319 0.000 0.801 89 K CB 2.470 35.134 32.500 0.273 0.000 1.139 89 K HN 0.277 nan 8.250 nan 0.000 0.424 90 Y N 2.975 123.350 120.300 0.126 0.000 2.328 90 Y HA 0.438 4.988 4.550 0.000 0.000 0.333 90 Y C 0.640 176.588 175.900 0.081 0.000 0.958 90 Y CA -0.721 57.441 58.100 0.102 0.000 1.167 90 Y CB 0.393 38.917 38.460 0.107 0.000 1.151 90 Y HN 0.981 nan 8.280 nan 0.000 0.470 91 A N 4.317 127.251 122.820 0.189 0.000 5.330 91 A HA -0.347 3.973 4.320 -0.000 0.000 0.357 91 A C 1.066 178.593 177.584 -0.095 0.000 1.623 91 A CA 2.308 54.298 52.037 -0.078 0.000 0.744 91 A CB -1.470 17.304 19.000 -0.377 0.000 1.497 91 A HN 0.741 nan 8.150 nan 0.000 0.422 92 D N -0.671 119.636 120.400 -0.155 0.000 2.388 92 D HA 0.338 4.978 4.640 -0.000 0.000 0.221 92 D C 1.264 177.497 176.300 -0.111 0.000 1.133 92 D CA 0.716 54.658 54.000 -0.096 0.000 0.831 92 D CB 0.208 40.987 40.800 -0.036 0.000 0.962 92 D HN 0.251 nan 8.370 nan 0.000 0.502 93 V N -0.065 119.775 119.914 -0.122 0.000 3.235 93 V HA 0.252 4.372 4.120 -0.000 0.000 0.259 93 V C 1.368 177.470 176.094 0.013 0.000 1.133 93 V CA 0.931 63.234 62.300 0.005 0.000 1.128 93 V CB -0.189 31.658 31.823 0.040 0.000 0.757 93 V HN 0.397 nan 8.190 nan 0.000 0.469 94 G N 0.364 109.132 108.800 -0.053 0.000 2.343 94 G HA2 0.143 4.103 3.960 -0.000 0.000 0.562 94 G HA3 0.143 4.103 3.960 -0.000 0.000 0.562 94 G C -0.479 174.428 174.900 0.012 0.000 1.269 94 G CA -0.241 44.757 45.100 -0.170 0.000 1.011 94 G HN 0.889 nan 8.290 nan 0.000 0.498 95 S N -1.352 114.303 115.700 -0.075 0.000 2.595 95 S HA 0.875 5.345 4.470 -0.000 0.000 0.281 95 S C -1.168 173.585 174.600 0.255 0.000 1.117 95 S CA -0.442 57.850 58.200 0.153 0.000 0.873 95 S CB 2.616 65.894 63.200 0.131 0.000 1.108 95 S HN 2.068 nan 8.310 nan 0.000 0.477 96 F N 1.427 121.505 119.950 0.213 0.000 2.581 96 F HA 0.675 5.202 4.527 -0.000 0.000 0.311 96 F C -2.043 173.875 175.800 0.196 0.000 1.113 96 F CA -0.403 57.733 58.000 0.226 0.000 0.935 96 F CB 1.709 40.862 39.000 0.255 0.000 1.232 96 F HN 0.964 nan 8.300 nan 0.000 0.445 97 D N 3.280 123.243 120.400 -0.729 0.000 2.602 97 D HA 0.414 5.053 4.640 -0.000 0.000 0.236 97 D C -2.074 173.921 176.300 -0.508 0.000 1.209 97 D CA -0.554 53.193 54.000 -0.422 0.000 0.831 97 D CB 1.975 42.764 40.800 -0.018 0.000 1.478 97 D HN 0.517 nan 8.370 nan 0.000 0.438 98 Y N 0.367 120.512 120.300 -0.259 0.000 2.553 98 Y HA 0.710 5.259 4.550 -0.000 0.000 0.347 98 Y C 0.072 176.002 175.900 0.050 0.000 1.019 98 Y CA 0.485 58.510 58.100 -0.126 0.000 1.032 98 Y CB 2.017 40.469 38.460 -0.013 0.000 1.284 98 Y HN 1.049 nan 8.280 nan 0.000 0.466 99 G N 3.636 111.953 108.800 -0.806 0.000 2.302 99 G HA2 0.041 4.001 3.960 -0.000 0.000 0.276 99 G HA3 0.041 4.001 3.960 -0.000 0.000 0.276 99 G C -1.797 172.899 174.900 -0.339 0.000 1.316 99 G CA -1.130 43.704 45.100 -0.443 0.000 0.988 99 G HN 0.756 nan 8.290 nan 0.000 0.479 100 R N 0.921 121.345 120.500 -0.126 0.000 2.216 100 R HA 0.541 4.881 4.340 -0.000 0.000 0.332 100 R C -0.430 175.820 176.300 -0.083 0.000 1.056 100 R CA -0.278 55.741 56.100 -0.135 0.000 0.901 100 R CB 0.299 30.539 30.300 -0.100 0.000 1.039 100 R HN 0.620 nan 8.270 nan 0.000 0.456 101 N N 2.478 121.049 118.700 -0.214 0.000 3.344 101 N HA 0.179 4.919 4.740 -0.000 0.000 0.296 101 N C -1.786 173.533 175.510 -0.319 0.000 1.571 101 N CA -0.667 52.213 53.050 -0.284 0.000 0.844 101 N CB 0.649 38.854 38.487 -0.470 0.000 1.718 101 N HN 0.293 nan 8.380 nan 0.000 0.589 102 Y N 0.868 121.043 120.300 -0.209 0.000 2.436 102 Y HA 0.360 4.910 4.550 0.000 0.000 0.336 102 Y C 1.558 177.417 175.900 -0.067 0.000 1.049 102 Y CA 0.195 58.188 58.100 -0.177 0.000 1.294 102 Y CB 0.318 38.649 38.460 -0.215 0.000 1.179 102 Y HN 0.477 nan 8.280 nan 0.000 0.520 103 G N 1.802 110.698 108.800 0.161 0.000 2.562 103 G HA2 0.178 4.137 3.960 -0.000 0.000 0.233 103 G HA3 0.178 4.137 3.960 -0.000 0.000 0.233 103 G C 1.015 176.083 174.900 0.279 0.000 1.266 103 G CA -0.064 45.170 45.100 0.223 0.000 0.852 103 G HN 0.758 nan 8.290 nan 0.000 0.581 104 V N 0.785 120.866 119.914 0.279 0.000 2.490 104 V HA -0.147 3.973 4.120 -0.000 0.000 0.250 104 V C 2.681 178.853 176.094 0.130 0.000 1.061 104 V CA 1.549 63.945 62.300 0.160 0.000 1.064 104 V CB -0.946 30.925 31.823 0.080 0.000 0.670 104 V HN 0.417 nan 8.190 nan 0.000 0.461 105 V N -0.327 119.681 119.914 0.156 0.000 2.720 105 V HA -0.236 3.884 4.120 -0.000 0.000 0.256 105 V C 2.331 178.474 176.094 0.081 0.000 1.082 105 V CA 2.246 64.604 62.300 0.097 0.000 1.101 105 V CB -1.109 30.779 31.823 0.108 0.000 0.693 105 V HN 0.715 nan 8.190 nan 0.000 0.479 106 Y N 0.993 121.321 120.300 0.047 0.000 2.571 106 Y HA -0.141 4.409 4.550 0.000 0.000 0.294 106 Y C 1.991 177.850 175.900 -0.069 0.000 1.141 106 Y CA 1.094 59.193 58.100 -0.003 0.000 1.308 106 Y CB -0.128 38.353 38.460 0.035 0.000 1.002 106 Y HN 0.323 nan 8.280 nan 0.000 0.551 107 D N -0.183 120.201 120.400 -0.028 0.000 2.263 107 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 107 D C 1.966 178.111 176.300 -0.258 0.000 0.971 107 D CA 1.240 55.186 54.000 -0.090 0.000 0.867 107 D CB -0.011 40.773 40.800 -0.026 0.000 0.929 107 D HN 0.509 nan 8.370 nan 0.000 0.492 108 A N -0.222 122.421 122.820 -0.295 0.000 1.884 108 A HA 0.100 4.420 4.320 -0.000 0.000 0.212 108 A C 2.165 179.485 177.584 -0.439 0.000 1.265 108 A CA 0.064 51.844 52.037 -0.427 0.000 0.626 108 A CB -0.708 18.141 19.000 -0.251 0.000 0.943 108 A HN 0.130 nan 8.150 nan 0.000 0.466 109 L N 0.278 121.278 121.223 -0.373 0.000 2.137 109 L HA -0.223 4.117 4.340 -0.000 0.000 0.213 109 L C 2.680 179.253 176.870 -0.495 0.000 1.085 109 L CA 1.138 55.761 54.840 -0.362 0.000 0.760 109 L CB -1.004 40.889 42.059 -0.277 0.000 0.893 109 L HN 0.535 nan 8.230 nan 0.000 0.434 110 G N -0.919 107.323 108.800 -0.930 0.000 2.517 110 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.222 110 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.222 110 G C 1.262 176.113 174.900 -0.082 0.000 1.109 110 G CA 0.676 45.344 45.100 -0.721 0.000 0.746 110 G HN 0.254 nan 8.290 nan 0.000 0.576 111 Y N 1.602 121.793 120.300 -0.183 0.000 2.114 111 Y HA -0.140 4.410 4.550 -0.000 0.000 0.282 111 Y C 3.135 179.097 175.900 0.102 0.000 1.165 111 Y CA 1.460 59.561 58.100 0.002 0.000 1.148 111 Y CB -0.892 37.557 38.460 -0.019 0.000 0.972 111 Y HN 0.336 nan 8.280 nan 0.000 0.504 112 T N -3.163 111.499 114.554 0.180 0.000 3.186 112 T HA 0.078 4.428 4.350 -0.000 0.000 0.257 112 T C 0.338 175.085 174.700 0.079 0.000 1.029 112 T CA -0.014 62.170 62.100 0.141 0.000 0.916 112 T CB -0.141 68.785 68.868 0.098 0.000 1.041 112 T HN -0.016 nan 8.240 nan 0.000 0.562 113 D N 1.512 121.935 120.400 0.038 0.000 2.741 113 D HA 0.234 4.874 4.640 -0.000 0.000 0.233 113 D C 0.569 176.872 176.300 0.006 0.000 1.160 113 D CA -0.307 53.718 54.000 0.040 0.000 1.003 113 D CB 0.088 40.930 40.800 0.070 0.000 1.064 113 D HN 0.269 nan 8.370 nan 0.000 0.503 114 M N 1.125 120.727 119.600 0.004 0.000 2.268 114 M HA 0.154 4.634 4.480 -0.000 0.000 0.355 114 M C 0.322 176.609 176.300 -0.022 0.000 0.938 114 M CA -0.209 55.050 55.300 -0.068 0.000 1.025 114 M CB 0.247 32.744 32.600 -0.171 0.000 1.773 114 M HN 0.078 nan 8.290 nan 0.000 0.613 115 L N 1.996 123.242 121.223 0.039 0.000 2.483 115 L HA 0.024 4.363 4.340 -0.000 0.000 0.276 115 L C -0.981 175.875 176.870 -0.023 0.000 1.213 115 L CA -0.970 53.910 54.840 0.066 0.000 0.843 115 L CB -0.153 42.001 42.059 0.158 0.000 1.107 115 L HN -0.068 nan 8.230 nan 0.000 0.487 116 P HA -0.215 nan 4.420 nan 0.000 0.215 116 P C 0.864 177.815 177.300 -0.583 0.000 1.157 116 P CA 1.260 64.180 63.100 -0.299 0.000 0.874 116 P CB 0.383 31.987 31.700 -0.160 0.000 0.790 117 E N -1.582 118.417 120.200 -0.335 0.000 2.756 117 E HA 0.098 4.448 4.350 -0.000 0.000 0.192 117 E C 0.003 176.445 176.600 -0.263 0.000 1.022 117 E CA -0.106 56.082 56.400 -0.354 0.000 1.224 117 E CB -0.796 28.760 29.700 -0.240 0.000 1.252 117 E HN -0.075 nan 8.360 nan 0.000 0.494 118 F N 3.697 123.685 119.950 0.062 0.000 2.571 118 F HA 0.107 4.634 4.527 -0.000 0.000 0.390 118 F C 0.639 176.479 175.800 0.066 0.000 1.043 118 F CA 0.248 58.299 58.000 0.086 0.000 1.164 118 F CB 0.011 39.069 39.000 0.096 0.000 1.049 118 F HN -0.012 nan 8.300 nan 0.000 0.552 119 D N 2.655 123.162 120.400 0.178 0.000 2.443 119 D HA 0.057 4.697 4.640 -0.000 0.000 0.239 119 D C 0.681 177.056 176.300 0.125 0.000 1.136 119 D CA 0.239 54.304 54.000 0.107 0.000 0.879 119 D CB 1.116 41.945 40.800 0.048 0.000 1.195 119 D HN 0.738 nan 8.370 nan 0.000 0.443 120 G N 2.156 111.017 108.800 0.101 0.000 2.138 120 G HA2 -0.168 3.791 3.960 -0.000 0.000 0.244 120 G HA3 -0.168 3.791 3.960 -0.000 0.000 0.244 120 G C 0.937 175.836 174.900 -0.002 0.000 1.166 120 G CA -0.211 44.932 45.100 0.072 0.000 0.902 120 G HN 0.488 nan 8.290 nan 0.000 0.460 121 D N 1.468 121.869 120.400 0.002 0.000 2.144 121 D HA -0.167 4.473 4.640 -0.000 0.000 0.199 121 D C 2.598 178.665 176.300 -0.389 0.000 0.984 121 D CA 2.021 55.958 54.000 -0.105 0.000 0.834 121 D CB 0.160 40.985 40.800 0.042 0.000 0.955 121 D HN 0.602 nan 8.370 nan 0.000 0.465 122 T N -1.449 112.977 114.554 -0.214 0.000 3.067 122 T HA 0.204 4.553 4.350 -0.000 0.000 0.257 122 T C 1.296 175.956 174.700 -0.067 0.000 1.105 122 T CA 0.176 62.216 62.100 -0.100 0.000 1.104 122 T CB 0.210 69.094 68.868 0.027 0.000 0.925 122 T HN 0.025 nan 8.240 nan 0.000 0.498 123 A N 1.375 124.137 122.820 -0.097 0.000 3.077 123 A HA 0.487 4.807 4.320 -0.000 0.000 0.255 123 A C -0.477 177.112 177.584 0.008 0.000 1.728 123 A CA -0.786 51.311 52.037 0.100 0.000 1.383 123 A CB -1.363 17.807 19.000 0.282 0.000 1.097 123 A HN 0.547 nan 8.150 nan 0.000 0.634 124 Y N 0.281 120.635 120.300 0.091 0.000 2.426 124 Y HA 0.215 4.765 4.550 -0.000 0.000 0.344 124 Y C 1.293 177.203 175.900 0.016 0.000 1.256 124 Y CA 0.435 58.561 58.100 0.044 0.000 1.451 124 Y CB 0.590 39.075 38.460 0.042 0.000 1.342 124 Y HN 0.394 nan 8.280 nan 0.000 0.600 125 S N 1.260 117.039 115.700 0.130 0.000 2.632 125 S HA 0.063 4.533 4.470 -0.000 0.000 0.271 125 S C -0.394 174.207 174.600 0.002 0.000 1.260 125 S CA -0.804 57.401 58.200 0.008 0.000 1.010 125 S CB 0.306 63.472 63.200 -0.056 0.000 0.965 125 S HN 0.745 nan 8.310 nan 0.000 0.534 126 D N 1.276 121.632 120.400 -0.074 0.000 2.706 126 D HA -0.196 4.444 4.640 -0.000 0.000 0.230 126 D C -0.512 175.719 176.300 -0.114 0.000 1.184 126 D CA 0.987 54.915 54.000 -0.121 0.000 0.628 126 D CB -0.901 39.826 40.800 -0.121 0.000 1.019 126 D HN 0.605 nan 8.370 nan 0.000 0.415 127 D N -0.900 119.470 120.400 -0.051 0.000 2.552 127 D HA 0.316 4.956 4.640 -0.000 0.000 0.285 127 D C 0.653 177.037 176.300 0.141 0.000 1.206 127 D CA -0.574 53.457 54.000 0.051 0.000 0.826 127 D CB 0.084 40.980 40.800 0.161 0.000 1.179 127 D HN -0.018 nan 8.370 nan 0.000 0.508 128 F N 0.130 120.027 119.950 -0.088 0.000 2.756 128 F HA -0.414 4.113 4.527 -0.000 0.000 0.240 128 F C 1.070 176.701 175.800 -0.281 0.000 1.487 128 F CA 1.418 59.278 58.000 -0.234 0.000 1.859 128 F CB -1.068 37.882 39.000 -0.083 0.000 1.319 128 F HN 0.238 nan 8.300 nan 0.000 0.230 129 F N 0.215 120.297 119.950 0.220 0.000 2.727 129 F HA 0.237 4.764 4.527 0.000 0.000 0.302 129 F C 1.644 177.528 175.800 0.140 0.000 1.097 129 F CA 0.425 58.498 58.000 0.122 0.000 1.330 129 F CB -0.362 38.675 39.000 0.062 0.000 1.084 129 F HN 0.217 nan 8.300 nan 0.000 0.578 130 V N -2.257 117.844 119.914 0.311 0.000 2.535 130 V HA 0.384 4.504 4.120 -0.000 0.000 0.246 130 V C 1.117 177.411 176.094 0.334 0.000 1.045 130 V CA 1.231 63.711 62.300 0.300 0.000 1.058 130 V CB -0.896 31.096 31.823 0.282 0.000 0.689 130 V HN 0.143 nan 8.190 nan 0.000 0.461 131 G N -0.491 108.444 108.800 0.224 0.000 3.251 131 G HA2 0.544 4.504 3.960 -0.000 0.000 0.248 131 G HA3 0.544 4.504 3.960 -0.000 0.000 0.248 131 G C -0.890 173.992 174.900 -0.030 0.000 1.320 131 G CA -1.430 43.749 45.100 0.131 0.000 0.982 131 G HN 0.321 nan 8.290 nan 0.000 0.575 132 R N -0.694 119.655 120.500 -0.251 0.000 2.570 132 R HA 0.402 4.742 4.340 -0.000 0.000 0.277 132 R C -0.442 175.712 176.300 -0.243 0.000 1.039 132 R CA 0.098 55.949 56.100 -0.416 0.000 1.065 132 R CB 0.728 30.676 30.300 -0.586 0.000 0.964 132 R HN 0.369 nan 8.270 nan 0.000 0.428 133 V N -0.533 119.239 119.914 -0.235 0.000 3.049 133 V HA 0.657 4.777 4.120 -0.000 0.000 0.309 133 V C 0.296 176.266 176.094 -0.207 0.000 1.148 133 V CA -1.328 60.847 62.300 -0.209 0.000 0.990 133 V CB 1.962 33.652 31.823 -0.223 0.000 1.039 133 V HN 0.840 nan 8.190 nan 0.000 0.430 134 G N 0.125 108.814 108.800 -0.186 0.000 2.420 134 G HA2 0.570 4.530 3.960 -0.000 0.000 0.284 134 G HA3 0.570 4.530 3.960 -0.000 0.000 0.284 134 G C 0.782 175.576 174.900 -0.177 0.000 1.177 134 G CA -0.034 44.964 45.100 -0.170 0.000 0.841 134 G HN 2.366 nan 8.290 nan 0.000 0.527 135 G N -0.805 107.843 108.800 -0.253 0.000 2.367 135 G HA2 0.142 4.102 3.960 -0.000 0.000 0.295 135 G HA3 0.142 4.102 3.960 -0.000 0.000 0.295 135 G C 0.052 174.869 174.900 -0.138 0.000 1.019 135 G CA 0.297 45.236 45.100 -0.269 0.000 1.224 135 G HN 1.935 nan 8.290 nan 0.000 0.510 136 V N -1.724 118.018 119.914 -0.287 0.000 2.409 136 V HA 0.928 5.048 4.120 -0.000 0.000 0.291 136 V C 0.381 176.497 176.094 0.037 0.000 1.020 136 V CA -0.737 61.531 62.300 -0.053 0.000 0.848 136 V CB 1.682 33.448 31.823 -0.095 0.000 0.990 136 V HN 1.741 nan 8.190 nan 0.000 0.430 137 A N 3.519 126.531 122.820 0.319 0.000 2.260 137 A HA 0.784 5.104 4.320 -0.000 0.000 0.308 137 A C 0.297 178.011 177.584 0.217 0.000 1.254 137 A CA -0.328 51.917 52.037 0.348 0.000 0.874 137 A CB 0.589 19.970 19.000 0.635 0.000 1.153 137 A HN 0.961 nan 8.150 nan 0.000 0.527 138 T N 2.732 117.254 114.554 -0.055 0.000 2.847 138 T HA 0.412 4.762 4.350 -0.000 0.000 0.291 138 T C -1.151 173.606 174.700 0.096 0.000 0.998 138 T CA -0.057 62.060 62.100 0.028 0.000 0.967 138 T CB 0.418 69.239 68.868 -0.079 0.000 0.954 138 T HN 0.518 nan 8.240 nan 0.000 0.441 139 Y N 3.688 124.091 120.300 0.170 0.000 2.334 139 Y HA 0.674 5.224 4.550 -0.000 0.000 0.328 139 Y C -0.052 175.848 175.900 0.001 0.000 1.130 139 Y CA -1.054 57.159 58.100 0.189 0.000 1.163 139 Y CB 0.818 39.448 38.460 0.283 0.000 1.207 139 Y HN 0.496 nan 8.280 nan 0.000 0.471 140 R N 4.888 124.827 120.500 -0.936 0.000 2.564 140 R HA 0.285 4.624 4.340 -0.000 0.000 0.284 140 R C -1.523 174.121 176.300 -1.093 0.000 1.031 140 R CA -0.981 54.638 56.100 -0.803 0.000 0.904 140 R CB 1.808 31.870 30.300 -0.396 0.000 1.199 140 R HN 0.729 nan 8.270 nan 0.000 0.443 141 N N 0.915 118.969 118.700 -1.078 0.000 2.314 141 N HA 0.339 5.079 4.740 -0.000 0.000 0.304 141 N C -1.375 173.834 175.510 -0.502 0.000 1.073 141 N CA -0.259 52.226 53.050 -0.941 0.000 0.822 141 N CB 2.166 39.860 38.487 -1.322 0.000 1.280 141 N HN 0.415 nan 8.380 nan 0.000 0.489 142 S N 1.969 117.463 115.700 -0.342 0.000 2.473 142 S HA 0.352 4.822 4.470 -0.000 0.000 0.307 142 S C -0.229 174.342 174.600 -0.049 0.000 1.094 142 S CA -0.573 57.542 58.200 -0.142 0.000 1.070 142 S CB 0.772 63.903 63.200 -0.114 0.000 1.019 142 S HN 0.719 nan 8.310 nan 0.000 0.480 143 N N 1.334 120.080 118.700 0.076 0.000 2.754 143 N HA -0.198 4.542 4.740 -0.000 0.000 0.248 143 N C -0.277 175.391 175.510 0.264 0.000 1.093 143 N CA 0.500 53.650 53.050 0.166 0.000 0.699 143 N CB -1.720 36.830 38.487 0.105 0.000 1.016 143 N HN 0.799 nan 8.380 nan 0.000 0.552 144 F N 0.117 120.152 119.950 0.143 0.000 2.489 144 F HA -0.329 4.198 4.527 0.000 0.000 0.203 144 F C 0.181 176.205 175.800 0.372 0.000 1.030 144 F CA 1.028 59.199 58.000 0.284 0.000 0.877 144 F CB -1.559 37.627 39.000 0.311 0.000 0.855 144 F HN 0.266 nan 8.300 nan 0.000 0.832 145 F N 0.367 120.235 119.950 -0.138 0.000 3.069 145 F HA -0.243 4.283 4.527 -0.000 0.000 0.285 145 F C 1.600 177.392 175.800 -0.013 0.000 0.827 145 F CA 1.486 59.416 58.000 -0.116 0.000 1.108 145 F CB -1.528 37.343 39.000 -0.215 0.000 1.252 145 F HN 1.052 nan 8.300 nan 0.000 0.483 146 G N -0.757 108.122 108.800 0.133 0.000 2.162 146 G HA2 -0.348 3.612 3.960 -0.000 0.000 0.260 146 G HA3 -0.348 3.612 3.960 -0.000 0.000 0.260 146 G C 0.864 175.870 174.900 0.176 0.000 0.976 146 G CA 0.386 45.562 45.100 0.127 0.000 0.655 146 G HN 0.540 nan 8.290 nan 0.000 0.533 147 L N -0.793 120.591 121.223 0.268 0.000 2.202 147 L HA 0.259 4.599 4.340 -0.000 0.000 0.205 147 L C 1.011 178.038 176.870 0.262 0.000 1.083 147 L CA 0.713 55.718 54.840 0.275 0.000 0.790 147 L CB 0.233 42.522 42.059 0.383 0.000 0.942 147 L HN 0.126 nan 8.230 nan 0.000 0.452 148 V N 0.651 120.766 119.914 0.336 0.000 2.284 148 V HA 0.175 4.295 4.120 -0.000 0.000 0.274 148 V C -0.797 175.457 176.094 0.266 0.000 1.023 148 V CA -0.896 61.561 62.300 0.262 0.000 0.808 148 V CB 0.947 32.905 31.823 0.225 0.000 1.035 148 V HN 0.071 nan 8.190 nan 0.000 0.445 149 D N 4.043 124.573 120.400 0.216 0.000 2.520 149 D HA 0.284 4.924 4.640 -0.000 0.000 0.243 149 D C 1.297 177.751 176.300 0.256 0.000 1.160 149 D CA 2.011 56.129 54.000 0.197 0.000 0.877 149 D CB 1.116 42.015 40.800 0.165 0.000 1.150 149 D HN 0.939 nan 8.370 nan 0.000 0.494 150 G N 1.934 110.847 108.800 0.189 0.000 2.175 150 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.244 150 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.244 150 G C 0.068 175.134 174.900 0.277 0.000 0.982 150 G CA 0.047 45.215 45.100 0.113 0.000 0.641 150 G HN 0.489 nan 8.290 nan 0.000 0.527 151 L N 1.822 123.286 121.223 0.401 0.000 2.287 151 L HA 0.758 5.098 4.340 -0.000 0.000 0.287 151 L C -0.665 176.412 176.870 0.345 0.000 1.022 151 L CA -1.179 53.929 54.840 0.447 0.000 0.814 151 L CB 0.971 43.258 42.059 0.379 0.000 1.217 151 L HN 0.186 nan 8.230 nan 0.000 0.420 152 N N 5.005 123.885 118.700 0.300 0.000 2.262 152 N HA 0.627 5.367 4.740 -0.000 0.000 0.295 152 N C -1.232 174.460 175.510 0.305 0.000 1.161 152 N CA -0.214 52.958 53.050 0.205 0.000 0.767 152 N CB 2.300 40.833 38.487 0.076 0.000 1.499 152 N HN 0.511 nan 8.380 nan 0.000 0.476 153 F N -1.184 118.797 119.950 0.052 0.000 2.692 153 F HA 0.945 5.472 4.527 -0.000 0.000 0.320 153 F C -1.438 174.364 175.800 0.004 0.000 1.123 153 F CA -1.154 56.885 58.000 0.065 0.000 0.961 153 F CB 1.276 40.359 39.000 0.139 0.000 1.383 153 F HN 0.550 nan 8.300 nan 0.000 0.483 154 A N 1.031 123.969 122.820 0.197 0.000 2.594 154 A HA 0.766 5.086 4.320 -0.000 0.000 0.295 154 A C -2.122 175.591 177.584 0.215 0.000 1.071 154 A CA -0.465 51.602 52.037 0.051 0.000 0.685 154 A CB 1.557 20.553 19.000 -0.006 0.000 1.285 154 A HN 1.821 nan 8.150 nan 0.000 0.405 155 V N 0.748 120.786 119.914 0.208 0.000 3.040 155 V HA 0.896 5.016 4.120 -0.000 0.000 0.312 155 V C -1.005 175.080 176.094 -0.015 0.000 1.115 155 V CA -0.322 62.046 62.300 0.113 0.000 0.998 155 V CB 1.979 33.922 31.823 0.200 0.000 1.042 155 V HN 1.161 nan 8.190 nan 0.000 0.433 156 Q N 3.002 122.655 119.800 -0.245 0.000 2.295 156 Q HA 0.449 4.789 4.340 -0.000 0.000 0.268 156 Q C -2.466 173.361 176.000 -0.289 0.000 1.010 156 Q CA -0.594 55.130 55.803 -0.131 0.000 0.856 156 Q CB 2.283 31.074 28.738 0.089 0.000 1.349 156 Q HN 0.807 nan 8.270 nan 0.000 0.412 157 Y N 2.672 123.140 120.300 0.280 0.000 2.334 157 Y HA 0.426 4.976 4.550 -0.000 0.000 0.336 157 Y C -0.405 175.632 175.900 0.228 0.000 0.960 157 Y CA -0.792 57.465 58.100 0.262 0.000 1.164 157 Y CB 1.421 40.022 38.460 0.235 0.000 1.155 157 Y HN 0.533 nan 8.280 nan 0.000 0.478 158 L N 3.722 125.127 121.223 0.302 0.000 2.275 158 L HA 0.791 5.131 4.340 -0.000 0.000 0.288 158 L C 0.372 177.324 176.870 0.137 0.000 1.046 158 L CA -0.076 54.835 54.840 0.117 0.000 0.805 158 L CB 0.855 42.834 42.059 -0.133 0.000 1.193 158 L HN 0.707 nan 8.230 nan 0.000 0.426 159 G N 3.816 112.688 108.800 0.121 0.000 2.444 159 G HA2 0.203 4.163 3.960 -0.000 0.000 0.268 159 G HA3 0.203 4.163 3.960 -0.000 0.000 0.268 159 G C -0.694 174.230 174.900 0.040 0.000 1.203 159 G CA -0.717 44.451 45.100 0.113 0.000 0.835 159 G HN 0.894 nan 8.290 nan 0.000 0.543 160 K N 1.217 121.643 120.400 0.042 0.000 2.489 160 K HA 0.001 4.321 4.320 -0.000 0.000 0.278 160 K C -0.692 175.898 176.600 -0.017 0.000 1.000 160 K CA 0.126 56.418 56.287 0.008 0.000 1.012 160 K CB 0.220 32.734 32.500 0.024 0.000 0.903 160 K HN 0.381 nan 8.250 nan 0.000 0.485 161 N N 4.302 122.966 118.700 -0.060 0.000 2.682 161 N HA 0.101 4.841 4.740 -0.000 0.000 0.252 161 N C -1.505 173.965 175.510 -0.066 0.000 1.081 161 N CA -0.390 52.619 53.050 -0.068 0.000 0.844 161 N CB 1.536 39.956 38.487 -0.112 0.000 1.167 161 N HN 0.580 nan 8.380 nan 0.000 0.523 162 E N 2.058 122.237 120.200 -0.036 0.000 1.941 162 E HA 0.180 4.530 4.350 -0.000 0.000 0.275 162 E C 0.118 176.703 176.600 -0.026 0.000 1.113 162 E CA -0.118 56.265 56.400 -0.028 0.000 0.878 162 E CB 1.229 30.923 29.700 -0.011 0.000 1.070 162 E HN 0.211 nan 8.360 nan 0.000 0.399 163 R N 1.455 121.934 120.500 -0.035 0.000 2.608 163 R HA 0.190 4.530 4.340 -0.000 0.000 0.255 163 R C 0.486 176.776 176.300 -0.016 0.000 1.086 163 R CA -0.797 55.286 56.100 -0.029 0.000 1.125 163 R CB 0.662 30.936 30.300 -0.043 0.000 1.193 163 R HN 0.370 nan 8.270 nan 0.000 0.553 164 D N 0.155 120.546 120.400 -0.014 0.000 2.371 164 D HA -0.036 4.603 4.640 -0.000 0.000 0.221 164 D C -0.053 176.244 176.300 -0.004 0.000 0.986 164 D CA 1.294 55.289 54.000 -0.007 0.000 0.899 164 D CB 0.279 41.074 40.800 -0.008 0.000 0.902 164 D HN 0.260 nan 8.370 nan 0.000 0.530 165 T N -0.319 114.231 114.554 -0.007 0.000 2.812 165 T HA 0.427 4.777 4.350 -0.000 0.000 0.282 165 T C 1.012 175.724 174.700 0.021 0.000 0.990 165 T CA -0.527 61.573 62.100 -0.001 0.000 0.960 165 T CB 2.095 70.954 68.868 -0.016 0.000 0.948 165 T HN -0.090 nan 8.240 nan 0.000 0.438 166 A N 3.677 126.529 122.820 0.054 0.000 1.986 166 A HA -0.142 4.178 4.320 -0.000 0.000 0.220 166 A C 2.139 179.860 177.584 0.228 0.000 1.171 166 A CA 2.049 54.167 52.037 0.135 0.000 0.640 166 A CB -0.396 18.715 19.000 0.184 0.000 0.811 166 A HN 0.750 nan 8.150 nan 0.000 0.451 167 R N -0.695 119.868 120.500 0.105 0.000 2.115 167 R HA 0.004 4.344 4.340 -0.000 0.000 0.226 167 R C 1.547 177.871 176.300 0.041 0.000 1.100 167 R CA 1.196 57.333 56.100 0.061 0.000 0.980 167 R CB -0.116 30.118 30.300 -0.110 0.000 0.875 167 R HN 0.290 nan 8.270 nan 0.000 0.445 168 R N 0.290 120.782 120.500 -0.013 0.000 2.359 168 R HA 0.295 4.635 4.340 -0.000 0.000 0.231 168 R C -0.168 176.068 176.300 -0.107 0.000 0.913 168 R CA 0.071 56.131 56.100 -0.066 0.000 1.075 168 R CB 0.495 30.758 30.300 -0.062 0.000 1.087 168 R HN 0.096 nan 8.270 nan 0.000 0.515 169 S N 1.901 117.542 115.700 -0.097 0.000 2.713 169 S HA 0.468 4.938 4.470 -0.000 0.000 0.283 169 S C 0.086 174.492 174.600 -0.324 0.000 1.161 169 S CA -0.725 57.387 58.200 -0.146 0.000 0.999 169 S CB 1.625 64.787 63.200 -0.064 0.000 1.039 169 S HN 0.410 nan 8.310 nan 0.000 0.548 170 N N -0.546 117.980 118.700 -0.289 0.000 3.049 170 N HA 0.271 5.011 4.740 -0.000 0.000 0.244 170 N C -0.731 174.713 175.510 -0.111 0.000 1.203 170 N CA -0.852 51.967 53.050 -0.385 0.000 0.945 170 N CB 0.923 38.984 38.487 -0.709 0.000 1.616 170 N HN 0.651 nan 8.380 nan 0.000 0.505 171 G N -0.112 108.713 108.800 0.041 0.000 2.557 171 G HA2 0.324 4.284 3.960 -0.000 0.000 0.302 171 G HA3 0.324 4.284 3.960 -0.000 0.000 0.302 171 G C -0.562 174.391 174.900 0.089 0.000 1.311 171 G CA -0.477 44.663 45.100 0.067 0.000 1.030 171 G HN 0.641 nan 8.290 nan 0.000 0.509 172 D N -0.338 120.121 120.400 0.097 0.000 2.382 172 D HA 0.471 5.111 4.640 -0.000 0.000 0.245 172 D C 0.451 176.861 176.300 0.183 0.000 1.120 172 D CA 0.797 54.874 54.000 0.128 0.000 0.890 172 D CB 1.558 42.432 40.800 0.123 0.000 1.201 172 D HN 0.584 nan 8.370 nan 0.000 0.433 173 G N -0.399 108.550 108.800 0.248 0.000 2.623 173 G HA2 0.499 4.459 3.960 -0.000 0.000 0.290 173 G HA3 0.499 4.459 3.960 -0.000 0.000 0.290 173 G C -1.466 173.701 174.900 0.445 0.000 1.437 173 G CA -0.459 44.853 45.100 0.353 0.000 0.798 173 G HN 0.342 nan 8.290 nan 0.000 0.488 174 V N -0.725 119.388 119.914 0.331 0.000 2.864 174 V HA 0.979 5.099 4.120 -0.000 0.000 0.314 174 V C 0.525 176.476 176.094 -0.239 0.000 1.073 174 V CA 0.114 62.479 62.300 0.108 0.000 0.956 174 V CB 2.029 33.897 31.823 0.074 0.000 1.023 174 V HN 1.472 nan 8.190 nan 0.000 0.435 175 G N 0.581 109.173 108.800 -0.347 0.000 2.718 175 G HA2 0.757 4.717 3.960 -0.000 0.000 0.295 175 G HA3 0.757 4.717 3.960 -0.000 0.000 0.295 175 G C -0.810 173.949 174.900 -0.235 0.000 1.421 175 G CA -0.066 44.674 45.100 -0.600 0.000 0.902 175 G HN 1.139 nan 8.290 nan 0.000 0.501 176 G N -0.877 107.850 108.800 -0.122 0.000 2.695 176 G HA2 0.881 4.841 3.960 -0.000 0.000 0.290 176 G HA3 0.881 4.841 3.960 -0.000 0.000 0.290 176 G C -0.744 174.193 174.900 0.061 0.000 1.410 176 G CA 0.128 45.242 45.100 0.023 0.000 0.844 176 G HN 1.775 nan 8.290 nan 0.000 0.478 177 S N -0.930 114.839 115.700 0.115 0.000 2.535 177 S HA 0.740 5.210 4.470 -0.000 0.000 0.272 177 S C -1.246 173.448 174.600 0.156 0.000 1.149 177 S CA -0.787 57.477 58.200 0.106 0.000 0.888 177 S CB 1.453 64.693 63.200 0.067 0.000 1.110 177 S HN 0.759 nan 8.310 nan 0.000 0.463 178 I N 2.460 123.108 120.570 0.131 0.000 2.498 178 I HA 0.695 4.865 4.170 -0.000 0.000 0.290 178 I C -0.187 176.013 176.117 0.137 0.000 1.032 178 I CA -0.628 60.771 61.300 0.166 0.000 1.073 178 I CB 2.296 40.368 38.000 0.120 0.000 1.251 178 I HN 0.906 nan 8.210 nan 0.000 0.426 179 S N 5.166 120.970 115.700 0.174 0.000 2.595 179 S HA 0.725 5.195 4.470 -0.000 0.000 0.281 179 S C -1.610 173.157 174.600 0.278 0.000 1.117 179 S CA -0.614 57.692 58.200 0.176 0.000 0.873 179 S CB 2.466 65.741 63.200 0.125 0.000 1.108 179 S HN 0.563 nan 8.310 nan 0.000 0.477 180 Y N 0.611 120.987 120.300 0.126 0.000 2.433 180 Y HA 0.563 5.113 4.550 -0.001 0.000 0.337 180 Y C -1.403 174.596 175.900 0.165 0.000 1.026 180 Y CA -0.660 57.519 58.100 0.132 0.000 1.037 180 Y CB 1.905 40.428 38.460 0.104 0.000 1.245 180 Y HN 0.897 nan 8.280 nan 0.000 0.443 181 E N 5.966 125.863 120.200 -0.506 0.000 2.255 181 E HA 0.183 4.533 4.350 -0.000 0.000 0.256 181 E C -2.164 174.184 176.600 -0.420 0.000 0.887 181 E CA -0.826 55.384 56.400 -0.317 0.000 0.782 181 E CB 2.172 31.798 29.700 -0.124 0.000 1.214 181 E HN 0.516 nan 8.360 nan 0.000 0.417 182 Y N 2.879 122.969 120.300 -0.350 0.000 2.376 182 Y HA 0.139 4.688 4.550 -0.001 0.000 0.326 182 Y C -0.129 175.823 175.900 0.086 0.000 0.970 182 Y CA -1.038 56.968 58.100 -0.158 0.000 1.248 182 Y CB 0.727 39.161 38.460 -0.044 0.000 1.117 182 Y HN 0.687 nan 8.280 nan 0.000 0.476 183 E N 5.011 124.893 120.200 -0.530 0.000 2.513 183 E HA -0.251 4.099 4.350 -0.000 0.000 0.156 183 E C 0.997 177.463 176.600 -0.223 0.000 1.740 183 E CA 1.164 57.307 56.400 -0.427 0.000 0.646 183 E CB -1.099 28.193 29.700 -0.681 0.000 1.080 183 E HN 1.378 nan 8.360 nan 0.000 0.345 184 G N 1.456 110.076 108.800 -0.299 0.000 2.267 184 G HA2 -0.351 3.609 3.960 -0.000 0.000 0.257 184 G HA3 -0.351 3.609 3.960 -0.000 0.000 0.257 184 G C 0.072 174.633 174.900 -0.565 0.000 0.998 184 G CA 0.426 45.212 45.100 -0.522 0.000 0.620 184 G HN 0.403 nan 8.290 nan 0.000 0.529 185 F N 0.929 120.824 119.950 -0.091 0.000 2.403 185 F HA 0.674 5.200 4.527 -0.000 0.000 0.326 185 F C 0.926 176.698 175.800 -0.047 0.000 1.081 185 F CA 0.133 58.130 58.000 -0.005 0.000 1.041 185 F CB 2.099 41.164 39.000 0.108 0.000 1.234 185 F HN 0.344 nan 8.300 nan 0.000 0.503 186 G N 1.764 110.692 108.800 0.215 0.000 2.746 186 G HA2 0.608 4.568 3.960 -0.000 0.000 0.297 186 G HA3 0.608 4.568 3.960 -0.000 0.000 0.297 186 G C -2.202 172.900 174.900 0.338 0.000 1.426 186 G CA -0.514 44.706 45.100 0.199 0.000 0.989 186 G HN 0.729 nan 8.290 nan 0.000 0.520 187 I N 1.143 121.911 120.570 0.329 0.000 2.865 187 I HA 0.822 4.992 4.170 -0.000 0.000 0.302 187 I C -1.106 175.125 176.117 0.190 0.000 1.140 187 I CA -1.006 60.462 61.300 0.280 0.000 1.021 187 I CB 2.397 40.535 38.000 0.229 0.000 1.233 187 I HN 0.446 nan 8.210 nan 0.000 0.427 188 V N 3.783 123.737 119.914 0.067 0.000 3.178 188 V HA 0.856 4.976 4.120 -0.000 0.000 0.302 188 V C -0.368 175.729 176.094 0.005 0.000 1.262 188 V CA -0.557 61.731 62.300 -0.019 0.000 1.030 188 V CB 1.634 33.304 31.823 -0.255 0.000 1.074 188 V HN 0.939 nan 8.190 nan 0.000 0.438 189 G N 0.401 109.222 108.800 0.035 0.000 2.701 189 G HA2 0.909 4.869 3.960 -0.000 0.000 0.300 189 G HA3 0.909 4.869 3.960 -0.000 0.000 0.300 189 G C -1.081 173.873 174.900 0.090 0.000 1.410 189 G CA -0.051 45.101 45.100 0.086 0.000 1.014 189 G HN 1.351 nan 8.290 nan 0.000 0.509 190 A N 1.071 123.977 122.820 0.144 0.000 2.498 190 A HA 0.929 5.249 4.320 -0.000 0.000 0.298 190 A C -1.823 175.910 177.584 0.249 0.000 1.075 190 A CA -0.823 51.292 52.037 0.130 0.000 0.714 190 A CB 2.079 21.111 19.000 0.054 0.000 1.299 190 A HN 1.793 nan 8.150 nan 0.000 0.407 191 Y N -0.144 120.157 120.300 0.001 0.000 2.521 191 Y HA 0.573 5.123 4.550 -0.000 0.000 0.328 191 Y C -0.339 175.429 175.900 -0.220 0.000 1.151 191 Y CA 0.178 58.270 58.100 -0.014 0.000 1.054 191 Y CB 1.622 40.079 38.460 -0.006 0.000 1.338 191 Y HN 1.460 nan 8.280 nan 0.000 0.453 192 G N 2.160 110.159 108.800 -1.334 0.000 2.732 192 G HA2 0.751 4.711 3.960 -0.000 0.000 0.296 192 G HA3 0.751 4.711 3.960 -0.000 0.000 0.296 192 G C -2.221 172.026 174.900 -1.088 0.000 1.448 192 G CA -0.265 44.004 45.100 -1.384 0.000 0.911 192 G HN 1.105 nan 8.290 nan 0.000 0.528 193 A N -0.196 122.277 122.820 -0.579 0.000 2.413 193 A HA 1.094 5.414 4.320 -0.000 0.000 0.307 193 A C -0.129 177.533 177.584 0.130 0.000 1.087 193 A CA -0.065 51.865 52.037 -0.178 0.000 0.750 193 A CB 1.895 20.853 19.000 -0.069 0.000 1.296 193 A HN 2.462 nan 8.150 nan 0.000 0.423 194 A N 0.854 123.726 122.820 0.086 0.000 2.606 194 A HA 0.679 4.999 4.320 -0.000 0.000 0.293 194 A C -1.393 176.249 177.584 0.098 0.000 1.082 194 A CA -0.670 51.486 52.037 0.199 0.000 0.685 194 A CB 0.907 20.161 19.000 0.423 0.000 1.284 194 A HN 0.710 nan 8.150 nan 0.000 0.408 195 D N 0.769 121.256 120.400 0.146 0.000 2.372 195 D HA 0.337 4.977 4.640 -0.000 0.000 0.243 195 D C -0.038 176.349 176.300 0.146 0.000 1.121 195 D CA 0.471 54.531 54.000 0.100 0.000 0.898 195 D CB 0.683 41.536 40.800 0.088 0.000 1.202 195 D HN 0.405 nan 8.370 nan 0.000 0.428 196 R N 0.287 120.829 120.500 0.070 0.000 2.407 196 R HA 0.329 4.669 4.340 -0.000 0.000 0.303 196 R C 0.233 176.555 176.300 0.037 0.000 0.981 196 R CA -0.668 55.472 56.100 0.067 0.000 0.905 196 R CB 1.296 31.576 30.300 -0.033 0.000 1.099 196 R HN 0.423 nan 8.270 nan 0.000 0.459 197 T N -0.378 114.193 114.554 0.028 0.000 2.860 197 T HA 0.054 4.404 4.350 -0.000 0.000 0.299 197 T C 1.192 175.901 174.700 0.015 0.000 1.045 197 T CA -0.822 61.288 62.100 0.016 0.000 1.071 197 T CB 0.709 69.578 68.868 0.001 0.000 0.985 197 T HN 0.391 nan 8.240 nan 0.000 0.537 198 N N 0.089 118.799 118.700 0.016 0.000 2.060 198 N HA -0.130 4.610 4.740 -0.000 0.000 0.195 198 N C 1.667 177.192 175.510 0.025 0.000 1.028 198 N CA 1.091 54.152 53.050 0.018 0.000 0.861 198 N CB -0.745 37.752 38.487 0.017 0.000 1.029 198 N HN 0.583 nan 8.380 nan 0.000 0.428 199 L N 1.861 123.100 121.223 0.027 0.000 2.017 199 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 199 L C 2.224 179.133 176.870 0.065 0.000 1.073 199 L CA 1.639 56.503 54.840 0.040 0.000 0.745 199 L CB -0.789 41.291 42.059 0.035 0.000 0.894 199 L HN 0.199 nan 8.230 nan 0.000 0.432 200 Q N -0.675 119.162 119.800 0.062 0.000 2.096 200 Q HA -0.240 4.100 4.340 -0.000 0.000 0.204 200 Q C 2.077 178.119 176.000 0.069 0.000 0.982 200 Q CA 2.104 57.959 55.803 0.086 0.000 0.850 200 Q CB -0.129 28.585 28.738 -0.041 0.000 0.901 200 Q HN 0.651 nan 8.270 nan 0.000 0.422 201 E N -0.018 120.201 120.200 0.032 0.000 2.152 201 E HA -0.083 4.267 4.350 -0.000 0.000 0.192 201 E C 1.660 178.287 176.600 0.046 0.000 0.983 201 E CA 0.629 57.047 56.400 0.030 0.000 0.818 201 E CB 0.002 29.710 29.700 0.015 0.000 0.758 201 E HN 0.286 nan 8.360 nan 0.000 0.467 202 A N 1.235 124.083 122.820 0.047 0.000 2.248 202 A HA -0.086 4.234 4.320 -0.000 0.000 0.210 202 A C 0.967 178.582 177.584 0.053 0.000 1.174 202 A CA 0.474 52.536 52.037 0.043 0.000 0.750 202 A CB -0.033 18.988 19.000 0.036 0.000 0.780 202 A HN 0.053 nan 8.150 nan 0.000 0.478 203 Q N -0.427 119.419 119.800 0.077 0.000 2.394 203 Q HA 0.195 4.535 4.340 -0.000 0.000 0.248 203 Q C -1.545 174.498 176.000 0.070 0.000 0.992 203 Q CA -1.857 53.999 55.803 0.088 0.000 0.888 203 Q CB 0.113 28.945 28.738 0.156 0.000 1.257 203 Q HN 0.173 nan 8.270 nan 0.000 0.462 204 P HA -0.032 nan 4.420 nan 0.000 0.217 204 P C -0.133 177.195 177.300 0.047 0.000 1.151 204 P CA 1.022 64.147 63.100 0.042 0.000 0.828 204 P CB 0.338 32.056 31.700 0.028 0.000 0.788 205 L N -1.060 120.197 121.223 0.057 0.000 2.325 205 L HA 0.646 4.986 4.340 -0.000 0.000 0.278 205 L C 0.453 177.389 176.870 0.111 0.000 1.023 205 L CA -0.413 54.464 54.840 0.062 0.000 0.811 205 L CB 1.193 43.271 42.059 0.031 0.000 1.249 205 L HN 0.081 nan 8.230 nan 0.000 0.431 206 G N 1.910 110.765 108.800 0.092 0.000 2.879 206 G HA2 -0.188 3.772 3.960 -0.000 0.000 0.686 206 G HA3 -0.188 3.772 3.960 -0.000 0.000 0.686 206 G C -1.263 173.676 174.900 0.065 0.000 1.115 206 G CA -0.834 44.327 45.100 0.101 0.000 0.770 206 G HN 0.666 nan 8.290 nan 0.000 0.601 207 N N 0.962 119.684 118.700 0.036 0.000 2.549 207 N HA 0.785 5.525 4.740 -0.000 0.000 0.281 207 N C 0.188 175.699 175.510 0.002 0.000 1.084 207 N CA 0.875 53.938 53.050 0.020 0.000 0.862 207 N CB 1.473 39.974 38.487 0.023 0.000 1.333 207 N HN 1.862 nan 8.380 nan 0.000 0.523 208 G N 1.437 110.230 108.800 -0.012 0.000 2.356 208 G HA2 0.253 4.213 3.960 -0.000 0.000 0.294 208 G HA3 0.253 4.213 3.960 -0.000 0.000 0.294 208 G C -0.762 174.119 174.900 -0.031 0.000 1.423 208 G CA -0.589 44.496 45.100 -0.024 0.000 0.806 208 G HN 0.329 nan 8.290 nan 0.000 0.527 209 K N -0.738 119.646 120.400 -0.027 0.000 2.447 209 K HA 0.306 4.626 4.320 -0.000 0.000 0.205 209 K C -0.065 176.519 176.600 -0.027 0.000 1.059 209 K CA -0.068 56.207 56.287 -0.020 0.000 1.065 209 K CB 1.053 33.551 32.500 -0.002 0.000 0.885 209 K HN 0.230 nan 8.250 nan 0.000 0.545 210 K N 0.890 121.256 120.400 -0.056 0.000 2.525 210 K HA 0.525 4.845 4.320 -0.000 0.000 0.254 210 K C -1.937 174.563 176.600 -0.168 0.000 0.934 210 K CA -0.401 55.841 56.287 -0.075 0.000 0.802 210 K CB 2.085 34.567 32.500 -0.029 0.000 1.295 210 K HN 0.039 nan 8.250 nan 0.000 0.433 211 A N 3.186 125.822 122.820 -0.307 0.000 2.342 211 A HA 0.698 5.018 4.320 -0.000 0.000 0.323 211 A C -1.148 176.201 177.584 -0.392 0.000 1.125 211 A CA -0.549 51.180 52.037 -0.513 0.000 0.785 211 A CB 0.795 19.073 19.000 -1.203 0.000 1.221 211 A HN 0.754 nan 8.150 nan 0.000 0.463 212 E N 0.729 120.779 120.200 -0.250 0.000 2.336 212 E HA 0.642 4.992 4.350 -0.000 0.000 0.267 212 E C -1.413 175.123 176.600 -0.106 0.000 0.906 212 E CA -0.739 55.567 56.400 -0.157 0.000 0.781 212 E CB 2.290 32.008 29.700 0.029 0.000 1.261 212 E HN 0.670 nan 8.360 nan 0.000 0.436 213 Q N 1.729 121.462 119.800 -0.112 0.000 2.378 213 Q HA 0.336 4.676 4.340 -0.000 0.000 0.262 213 Q C -1.638 174.379 176.000 0.027 0.000 0.978 213 Q CA -0.833 54.940 55.803 -0.050 0.000 0.918 213 Q CB 1.979 30.709 28.738 -0.014 0.000 1.415 213 Q HN 0.602 nan 8.270 nan 0.000 0.409 214 W N 0.919 122.209 121.300 -0.017 0.000 3.167 214 W HA 0.927 5.587 4.660 -0.000 0.000 0.324 214 W C -1.900 174.602 176.519 -0.028 0.000 1.230 214 W CA -0.980 56.391 57.345 0.044 0.000 1.184 214 W CB 0.949 30.557 29.460 0.247 0.000 1.414 214 W HN 0.790 nan 8.180 nan 0.000 0.551 215 A N 1.732 124.596 122.820 0.073 0.000 2.612 215 A HA 0.829 5.149 4.320 -0.000 0.000 0.293 215 A C -0.717 176.930 177.584 0.105 0.000 1.075 215 A CA -0.386 51.545 52.037 -0.176 0.000 0.680 215 A CB 1.518 20.392 19.000 -0.211 0.000 1.279 215 A HN 0.950 nan 8.150 nan 0.000 0.411 216 T N -1.507 113.095 114.554 0.081 0.000 2.907 216 T HA 0.917 5.267 4.350 -0.000 0.000 0.290 216 T C -0.024 174.686 174.700 0.017 0.000 1.066 216 T CA -0.288 61.890 62.100 0.129 0.000 1.012 216 T CB 1.903 70.944 68.868 0.287 0.000 1.184 216 T HN 2.155 nan 8.240 nan 0.000 0.522 217 G N -0.034 108.751 108.800 -0.026 0.000 2.718 217 G HA2 0.638 4.598 3.960 -0.000 0.000 0.295 217 G HA3 0.638 4.598 3.960 -0.000 0.000 0.295 217 G C -2.209 172.818 174.900 0.212 0.000 1.421 217 G CA -0.839 44.257 45.100 -0.006 0.000 0.902 217 G HN 0.883 nan 8.290 nan 0.000 0.501 218 L N 0.587 122.038 121.223 0.380 0.000 2.431 218 L HA 0.759 5.099 4.340 -0.000 0.000 0.266 218 L C -0.622 176.385 176.870 0.227 0.000 0.978 218 L CA -0.783 54.260 54.840 0.340 0.000 0.822 218 L CB 2.554 44.736 42.059 0.204 0.000 1.310 218 L HN 0.831 nan 8.230 nan 0.000 0.409 219 K N 2.250 122.693 120.400 0.072 0.000 2.527 219 K HA 0.494 4.814 4.320 -0.000 0.000 0.260 219 K C -1.891 174.607 176.600 -0.171 0.000 0.937 219 K CA -0.852 55.279 56.287 -0.262 0.000 0.826 219 K CB 2.030 34.034 32.500 -0.827 0.000 1.359 219 K HN 0.318 nan 8.250 nan 0.000 0.434 220 Y N 1.981 122.040 120.300 -0.400 0.000 2.345 220 Y HA 0.387 4.937 4.550 0.000 0.000 0.331 220 Y C -1.583 174.016 175.900 -0.501 0.000 0.959 220 Y CA -1.041 56.781 58.100 -0.463 0.000 1.204 220 Y CB 1.519 39.748 38.460 -0.386 0.000 1.135 220 Y HN 0.846 nan 8.280 nan 0.000 0.477 221 D N 5.345 125.090 120.400 -1.092 0.000 2.446 221 D HA 0.700 5.340 4.640 -0.000 0.000 0.251 221 D C -1.325 174.478 176.300 -0.828 0.000 1.137 221 D CA 0.118 53.663 54.000 -0.758 0.000 0.890 221 D CB 0.579 41.148 40.800 -0.384 0.000 1.071 221 D HN 0.831 nan 8.370 nan 0.000 0.528 222 A N 3.028 125.335 122.820 -0.855 0.000 2.481 222 A HA 0.472 4.792 4.320 -0.000 0.000 0.295 222 A C -0.316 177.084 177.584 -0.306 0.000 0.986 222 A CA -0.592 51.115 52.037 -0.551 0.000 0.617 222 A CB 0.069 18.738 19.000 -0.551 0.000 1.364 222 A HN 0.481 nan 8.150 nan 0.000 0.452 223 N N 1.161 119.748 118.700 -0.189 0.000 2.740 223 N HA -0.215 4.525 4.740 -0.000 0.000 0.248 223 N C 0.339 175.732 175.510 -0.195 0.000 1.062 223 N CA 0.695 53.679 53.050 -0.110 0.000 0.704 223 N CB -0.906 37.592 38.487 0.018 0.000 0.968 223 N HN 0.831 nan 8.380 nan 0.000 0.547 224 N N -2.422 116.087 118.700 -0.318 0.000 2.857 224 N HA -0.210 4.530 4.740 -0.000 0.000 0.242 224 N C -0.383 174.776 175.510 -0.585 0.000 0.983 224 N CA 1.726 54.440 53.050 -0.561 0.000 0.934 224 N CB -0.974 36.967 38.487 -0.910 0.000 1.115 224 N HN 0.600 nan 8.380 nan 0.000 0.593 225 I N -0.268 120.144 120.570 -0.263 0.000 2.498 225 I HA 0.367 4.537 4.170 -0.000 0.000 0.301 225 I C -0.285 175.805 176.117 -0.046 0.000 0.984 225 I CA -0.847 60.417 61.300 -0.060 0.000 1.204 225 I CB 1.401 39.500 38.000 0.164 0.000 1.362 225 I HN -0.046 nan 8.210 nan 0.000 0.471 226 Y N 6.280 126.524 120.300 -0.093 0.000 2.344 226 Y HA 0.557 5.107 4.550 0.000 0.000 0.328 226 Y C -1.638 174.242 175.900 -0.035 0.000 1.067 226 Y CA -0.560 57.464 58.100 -0.126 0.000 1.247 226 Y CB 0.953 39.323 38.460 -0.151 0.000 1.113 226 Y HN 0.365 nan 8.280 nan 0.000 0.465 227 L N 5.641 126.637 121.223 -0.378 0.000 2.313 227 L HA 0.964 5.304 4.340 -0.000 0.000 0.283 227 L C -0.428 176.187 176.870 -0.425 0.000 1.013 227 L CA -0.937 53.772 54.840 -0.218 0.000 0.816 227 L CB 1.662 43.696 42.059 -0.042 0.000 1.236 227 L HN 0.705 nan 8.230 nan 0.000 0.419 228 A N 2.896 125.562 122.820 -0.256 0.000 2.515 228 A HA 0.972 5.291 4.320 -0.000 0.000 0.298 228 A C -1.208 176.389 177.584 0.020 0.000 1.059 228 A CA -0.416 51.506 52.037 -0.192 0.000 0.698 228 A CB 2.045 20.934 19.000 -0.185 0.000 1.289 228 A HN 0.776 nan 8.150 nan 0.000 0.404 229 A N 1.642 124.517 122.820 0.091 0.000 2.520 229 A HA 0.811 5.131 4.320 -0.000 0.000 0.298 229 A C -0.911 176.757 177.584 0.139 0.000 1.051 229 A CA -0.628 51.474 52.037 0.109 0.000 0.690 229 A CB 1.273 20.330 19.000 0.094 0.000 1.281 229 A HN 0.880 nan 8.150 nan 0.000 0.402 230 N N -0.364 118.396 118.700 0.100 0.000 2.262 230 N HA 0.663 5.403 4.740 -0.000 0.000 0.295 230 N C -1.892 173.671 175.510 0.089 0.000 1.161 230 N CA -0.393 52.697 53.050 0.066 0.000 0.767 230 N CB 2.305 40.787 38.487 -0.008 0.000 1.499 230 N HN 0.662 nan 8.380 nan 0.000 0.476 231 Y N 0.317 120.577 120.300 -0.065 0.000 2.441 231 Y HA 0.700 5.250 4.550 0.000 0.000 0.334 231 Y C -0.766 174.965 175.900 -0.282 0.000 1.061 231 Y CA -0.428 57.602 58.100 -0.117 0.000 1.032 231 Y CB 1.507 39.944 38.460 -0.038 0.000 1.266 231 Y HN 0.611 nan 8.280 nan 0.000 0.441 232 G N 3.811 111.790 108.800 -1.368 0.000 2.649 232 G HA2 0.619 4.579 3.960 -0.000 0.000 0.290 232 G HA3 0.619 4.579 3.960 -0.000 0.000 0.290 232 G C -1.844 172.166 174.900 -1.482 0.000 1.426 232 G CA -0.931 43.269 45.100 -1.501 0.000 0.794 232 G HN 0.570 nan 8.290 nan 0.000 0.483 233 E N -1.472 117.870 120.200 -1.429 0.000 2.445 233 E HA 0.755 5.105 4.350 -0.000 0.000 0.273 233 E C -0.898 175.435 176.600 -0.444 0.000 0.961 233 E CA -0.877 55.089 56.400 -0.723 0.000 0.807 233 E CB 2.738 32.204 29.700 -0.389 0.000 1.362 233 E HN 0.763 nan 8.360 nan 0.000 0.453 234 T N -1.159 113.286 114.554 -0.181 0.000 2.840 234 T HA 0.638 4.988 4.350 -0.000 0.000 0.317 234 T C -1.248 173.437 174.700 -0.024 0.000 1.401 234 T CA -1.176 60.871 62.100 -0.087 0.000 1.028 234 T CB 1.480 70.298 68.868 -0.083 0.000 1.317 234 T HN 0.204 nan 8.240 nan 0.000 0.495 235 R N 1.711 122.194 120.500 -0.027 0.000 2.575 235 R HA 0.497 4.837 4.340 -0.000 0.000 0.293 235 R C -0.096 176.159 176.300 -0.076 0.000 0.983 235 R CA -0.877 55.209 56.100 -0.023 0.000 0.887 235 R CB 1.005 31.302 30.300 -0.004 0.000 1.184 235 R HN 0.923 nan 8.270 nan 0.000 0.445 236 N N 0.963 119.641 118.700 -0.037 0.000 2.677 236 N HA -0.271 4.469 4.740 -0.000 0.000 0.249 236 N C 0.266 175.689 175.510 -0.144 0.000 1.073 236 N CA 1.313 54.331 53.050 -0.053 0.000 0.737 236 N CB -0.444 37.972 38.487 -0.120 0.000 0.999 236 N HN 0.758 nan 8.380 nan 0.000 0.543 237 A N -0.998 121.804 122.820 -0.030 0.000 1.997 237 A HA 0.123 4.443 4.320 -0.000 0.000 0.198 237 A C 0.972 178.770 177.584 0.356 0.000 1.449 237 A CA 0.441 52.495 52.037 0.027 0.000 0.908 237 A CB 0.154 19.095 19.000 -0.100 0.000 0.984 237 A HN 0.208 nan 8.150 nan 0.000 0.487 238 T N 4.378 119.019 114.554 0.146 0.000 2.784 238 T HA 0.317 4.667 4.350 -0.000 0.000 0.291 238 T C -2.601 172.025 174.700 -0.123 0.000 0.942 238 T CA -0.464 61.601 62.100 -0.059 0.000 1.161 238 T CB 0.545 69.361 68.868 -0.086 0.000 0.885 238 T HN 0.255 nan 8.240 nan 0.000 0.534 239 P HA 0.359 nan 4.420 nan 0.000 0.281 239 P C -0.555 176.512 177.300 -0.388 0.000 1.252 239 P CA -0.397 62.338 63.100 -0.609 0.000 0.778 239 P CB 0.431 31.764 31.700 -0.612 0.000 0.895 240 I N -0.637 119.736 120.570 -0.328 0.000 2.686 240 I HA 0.626 4.796 4.170 -0.000 0.000 0.295 240 I C -1.043 174.968 176.117 -0.176 0.000 1.114 240 I CA -0.764 60.421 61.300 -0.191 0.000 1.038 240 I CB 2.669 40.598 38.000 -0.118 0.000 1.238 240 I HN 0.040 nan 8.210 nan 0.000 0.420 241 T N 3.085 117.555 114.554 -0.140 0.000 2.841 241 T HA 0.333 4.683 4.350 -0.000 0.000 0.283 241 T C -0.524 174.096 174.700 -0.132 0.000 1.000 241 T CA -0.513 61.511 62.100 -0.128 0.000 0.977 241 T CB 1.301 70.096 68.868 -0.121 0.000 0.979 241 T HN 0.646 nan 8.240 nan 0.000 0.446 242 N N 1.967 120.595 118.700 -0.120 0.000 2.462 242 N HA 0.181 4.920 4.740 -0.000 0.000 0.242 242 N C 0.869 176.256 175.510 -0.205 0.000 1.010 242 N CA -0.436 52.518 53.050 -0.160 0.000 0.939 242 N CB 0.811 39.257 38.487 -0.069 0.000 1.127 242 N HN 0.484 nan 8.380 nan 0.000 0.509 243 K N 2.308 122.491 120.400 -0.360 0.000 2.360 243 K HA -0.080 4.240 4.320 -0.000 0.000 0.201 243 K C 0.663 177.150 176.600 -0.189 0.000 1.046 243 K CA 1.148 57.251 56.287 -0.307 0.000 0.945 243 K CB 0.031 32.320 32.500 -0.351 0.000 0.750 243 K HN 0.417 nan 8.250 nan 0.000 0.464 244 F N 0.532 120.483 119.950 0.002 0.000 2.094 244 F HA -0.103 4.424 4.527 -0.000 0.000 0.291 244 F C 2.812 178.613 175.800 0.002 0.000 1.109 244 F CA 1.291 59.293 58.000 0.004 0.000 1.221 244 F CB -1.358 37.646 39.000 0.006 0.000 1.014 244 F HN 0.034 nan 8.300 nan 0.000 0.473 245 T N -3.129 111.535 114.554 0.183 0.000 3.067 245 T HA 0.027 4.376 4.350 -0.000 0.000 0.261 245 T C 0.637 175.366 174.700 0.048 0.000 1.110 245 T CA 0.659 62.819 62.100 0.101 0.000 1.113 245 T CB -0.915 68.001 68.868 0.081 0.000 0.917 245 T HN 0.382 nan 8.240 nan 0.000 0.499 246 N N 0.639 119.350 118.700 0.019 0.000 2.754 246 N HA -0.125 4.615 4.740 -0.000 0.000 0.248 246 N C -0.957 174.545 175.510 -0.013 0.000 1.093 246 N CA 0.602 53.648 53.050 -0.006 0.000 0.699 246 N CB -1.463 37.028 38.487 0.007 0.000 1.016 246 N HN 0.414 nan 8.380 nan 0.000 0.552 247 T N 0.193 114.736 114.554 -0.018 0.000 2.902 247 T HA 0.638 4.988 4.350 -0.000 0.000 0.283 247 T C -0.015 174.657 174.700 -0.046 0.000 1.009 247 T CA -0.273 61.816 62.100 -0.018 0.000 1.051 247 T CB 1.619 70.487 68.868 0.000 0.000 0.999 247 T HN 0.092 nan 8.240 nan 0.000 0.474 248 S N 0.268 115.940 115.700 -0.047 0.000 2.588 248 S HA 0.950 5.420 4.470 -0.000 0.000 0.275 248 S C 0.081 174.637 174.600 -0.074 0.000 1.130 248 S CA -0.653 57.494 58.200 -0.088 0.000 0.855 248 S CB 2.227 65.362 63.200 -0.107 0.000 1.116 248 S HN 1.134 nan 8.310 nan 0.000 0.472 249 G N 0.377 109.085 108.800 -0.153 0.000 2.441 249 G HA2 0.508 4.468 3.960 -0.000 0.000 0.225 249 G HA3 0.508 4.468 3.960 -0.000 0.000 0.225 249 G C -2.370 172.356 174.900 -0.289 0.000 1.200 249 G CA -0.584 44.476 45.100 -0.067 0.000 0.947 249 G HN 0.447 nan 8.290 nan 0.000 0.484 250 F N 0.978 120.916 119.950 -0.020 0.000 2.563 250 F HA 0.763 5.290 4.527 -0.000 0.000 0.316 250 F C 0.746 176.526 175.800 -0.034 0.000 1.076 250 F CA -0.382 57.598 58.000 -0.033 0.000 0.921 250 F CB 2.235 41.229 39.000 -0.011 0.000 1.209 250 F HN 0.707 nan 8.300 nan 0.000 0.462 251 A N 2.237 125.122 122.820 0.109 0.000 2.488 251 A HA 0.166 4.486 4.320 -0.000 0.000 0.249 251 A C 1.157 178.780 177.584 0.065 0.000 1.083 251 A CA -0.312 51.758 52.037 0.054 0.000 0.768 251 A CB -0.037 18.972 19.000 0.016 0.000 1.017 251 A HN 0.843 nan 8.150 nan 0.000 0.496 252 N N 0.697 119.426 118.700 0.049 0.000 2.069 252 N HA -0.092 4.648 4.740 -0.000 0.000 0.191 252 N C 0.533 176.059 175.510 0.027 0.000 1.031 252 N CA 1.384 54.456 53.050 0.037 0.000 0.852 252 N CB -0.054 38.453 38.487 0.033 0.000 1.018 252 N HN 0.657 nan 8.380 nan 0.000 0.423 253 K N 0.006 120.421 120.400 0.025 0.000 2.532 253 K HA 0.304 4.624 4.320 -0.000 0.000 0.265 253 K C -1.201 175.403 176.600 0.006 0.000 0.948 253 K CA -0.285 56.013 56.287 0.019 0.000 0.842 253 K CB 1.844 34.364 32.500 0.033 0.000 1.392 253 K HN 0.200 nan 8.250 nan 0.000 0.436 254 T N -0.682 113.862 114.554 -0.016 0.000 2.868 254 T HA 0.551 4.901 4.350 -0.000 0.000 0.306 254 T C -1.165 173.491 174.700 -0.074 0.000 1.224 254 T CA -0.778 61.302 62.100 -0.034 0.000 1.012 254 T CB 1.792 70.634 68.868 -0.043 0.000 1.221 254 T HN 0.418 nan 8.240 nan 0.000 0.499 255 Q N 1.380 121.143 119.800 -0.061 0.000 2.303 255 Q HA 0.401 4.741 4.340 -0.000 0.000 0.267 255 Q C -1.634 174.310 176.000 -0.093 0.000 1.011 255 Q CA -0.850 54.907 55.803 -0.076 0.000 0.740 255 Q CB 1.801 30.602 28.738 0.106 0.000 1.250 255 Q HN 0.648 nan 8.270 nan 0.000 0.458 256 D N 2.514 122.758 120.400 -0.260 0.000 2.344 256 D HA 0.384 5.024 4.640 -0.000 0.000 0.239 256 D C -0.607 175.610 176.300 -0.138 0.000 1.064 256 D CA -0.373 53.510 54.000 -0.196 0.000 0.829 256 D CB 2.225 42.896 40.800 -0.214 0.000 1.129 256 D HN 0.117 nan 8.370 nan 0.000 0.506 257 V N 2.249 122.130 119.914 -0.055 0.000 2.604 257 V HA 0.555 4.675 4.120 -0.000 0.000 0.305 257 V C -0.548 175.476 176.094 -0.118 0.000 1.043 257 V CA -0.832 61.477 62.300 0.015 0.000 0.888 257 V CB 2.147 34.019 31.823 0.082 0.000 0.995 257 V HN 0.353 nan 8.190 nan 0.000 0.429 258 L N 5.531 126.721 121.223 -0.056 0.000 2.455 258 L HA 0.691 5.031 4.340 -0.000 0.000 0.264 258 L C -0.770 176.107 176.870 0.012 0.000 0.968 258 L CA -0.272 54.517 54.840 -0.087 0.000 0.827 258 L CB 1.856 43.876 42.059 -0.066 0.000 1.317 258 L HN 0.583 nan 8.230 nan 0.000 0.407 259 L N 2.844 124.085 121.223 0.030 0.000 2.409 259 L HA 0.877 5.217 4.340 -0.000 0.000 0.262 259 L C -0.832 176.096 176.870 0.097 0.000 0.992 259 L CA -0.872 54.020 54.840 0.086 0.000 0.817 259 L CB 2.834 44.970 42.059 0.129 0.000 1.350 259 L HN 0.198 nan 8.230 nan 0.000 0.411 260 V N 1.313 121.292 119.914 0.110 0.000 2.711 260 V HA 0.773 4.893 4.120 -0.000 0.000 0.304 260 V C -0.848 175.333 176.094 0.145 0.000 1.097 260 V CA -0.438 61.949 62.300 0.145 0.000 0.906 260 V CB 1.982 33.920 31.823 0.191 0.000 1.015 260 V HN 0.839 nan 8.190 nan 0.000 0.427 261 A N 4.889 127.800 122.820 0.152 0.000 2.343 261 A HA 0.926 5.246 4.320 -0.000 0.000 0.308 261 A C -0.787 176.899 177.584 0.170 0.000 1.092 261 A CA -0.499 51.623 52.037 0.142 0.000 0.751 261 A CB 1.559 20.628 19.000 0.114 0.000 1.203 261 A HN 0.773 nan 8.150 nan 0.000 0.452 262 Q N 0.156 120.071 119.800 0.192 0.000 2.456 262 Q HA 0.576 4.916 4.340 -0.000 0.000 0.284 262 Q C -2.048 174.058 176.000 0.176 0.000 1.061 262 Q CA -0.671 55.239 55.803 0.179 0.000 0.799 262 Q CB 2.967 31.794 28.738 0.148 0.000 1.445 262 Q HN 0.746 nan 8.270 nan 0.000 0.411 263 Y N 0.706 121.005 120.300 -0.001 0.000 2.470 263 Y HA 0.305 4.855 4.550 -0.001 0.000 0.341 263 Y C -1.393 174.417 175.900 -0.149 0.000 1.021 263 Y CA -0.668 57.360 58.100 -0.121 0.000 1.025 263 Y CB 2.150 40.471 38.460 -0.232 0.000 1.266 263 Y HN 0.536 nan 8.280 nan 0.000 0.448 264 Q N 5.532 124.933 119.800 -0.665 0.000 2.466 264 Q HA 0.378 4.718 4.340 -0.000 0.000 0.242 264 Q C -1.632 174.062 176.000 -0.510 0.000 1.046 264 Q CA -0.260 55.292 55.803 -0.418 0.000 0.841 264 Q CB 0.016 28.525 28.738 -0.380 0.000 1.193 264 Q HN 0.577 nan 8.270 nan 0.000 0.508 265 F N 1.351 121.151 119.950 -0.250 0.000 2.535 265 F HA -0.012 4.515 4.527 0.000 0.000 0.332 265 F C 1.424 176.967 175.800 -0.429 0.000 1.208 265 F CA 0.513 58.306 58.000 -0.345 0.000 1.330 265 F CB 0.668 39.130 39.000 -0.897 0.000 1.167 265 F HN 0.570 nan 8.300 nan 0.000 0.597 266 D N 0.573 120.921 120.400 -0.087 0.000 2.269 266 D HA -0.119 4.521 4.640 -0.000 0.000 0.208 266 D C 1.715 178.012 176.300 -0.005 0.000 0.963 266 D CA 1.088 55.067 54.000 -0.034 0.000 0.864 266 D CB -0.177 40.674 40.800 0.085 0.000 0.936 266 D HN 0.440 nan 8.370 nan 0.000 0.505 267 F N -1.966 118.050 119.950 0.109 0.000 2.797 267 F HA 0.427 4.953 4.527 -0.000 0.000 0.302 267 F C 1.583 177.307 175.800 -0.127 0.000 1.130 267 F CA 0.411 58.433 58.000 0.037 0.000 1.387 267 F CB 0.086 39.133 39.000 0.078 0.000 1.107 267 F HN -0.045 nan 8.300 nan 0.000 0.577 268 G N 0.732 109.317 108.800 -0.358 0.000 2.428 268 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.199 268 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.199 268 G C -0.320 174.267 174.900 -0.521 0.000 1.005 268 G CA -0.238 44.545 45.100 -0.529 0.000 0.671 268 G HN 0.375 nan 8.290 nan 0.000 0.485 269 L N 2.438 123.413 121.223 -0.414 0.000 2.369 269 L HA 0.685 5.025 4.340 -0.000 0.000 0.279 269 L C 0.702 177.627 176.870 0.092 0.000 1.108 269 L CA -0.251 54.559 54.840 -0.050 0.000 0.852 269 L CB 0.542 42.727 42.059 0.211 0.000 1.169 269 L HN 0.308 nan 8.230 nan 0.000 0.452 270 R N 7.747 128.321 120.500 0.123 0.000 2.312 270 R HA 0.500 4.840 4.340 -0.000 0.000 0.310 270 R C -2.698 173.710 176.300 0.180 0.000 1.064 270 R CA -1.737 54.461 56.100 0.164 0.000 0.983 270 R CB 0.876 31.287 30.300 0.186 0.000 1.139 270 R HN 0.438 nan 8.270 nan 0.000 0.536 271 P HA 0.078 nan 4.420 nan 0.000 0.278 271 P C -1.050 176.360 177.300 0.182 0.000 1.238 271 P CA -0.291 62.939 63.100 0.216 0.000 0.794 271 P CB 1.826 33.683 31.700 0.261 0.000 0.955 272 S N 2.446 118.246 115.700 0.166 0.000 2.557 272 S HA 0.636 5.106 4.470 -0.000 0.000 0.291 272 S C -1.112 173.587 174.600 0.163 0.000 1.116 272 S CA -0.683 57.611 58.200 0.156 0.000 0.992 272 S CB 0.317 63.599 63.200 0.137 0.000 1.028 272 S HN 0.168 nan 8.310 nan 0.000 0.484 273 I N 3.515 124.183 120.570 0.164 0.000 2.466 273 I HA 0.756 4.926 4.170 -0.000 0.000 0.289 273 I C 0.116 176.342 176.117 0.183 0.000 1.026 273 I CA -0.448 60.956 61.300 0.172 0.000 1.078 273 I CB 1.071 39.164 38.000 0.154 0.000 1.249 273 I HN 0.874 nan 8.210 nan 0.000 0.429 274 A N 5.850 128.796 122.820 0.210 0.000 2.569 274 A HA 0.853 5.173 4.320 -0.000 0.000 0.290 274 A C -2.215 175.491 177.584 0.204 0.000 1.136 274 A CA -0.510 51.641 52.037 0.190 0.000 0.710 274 A CB 2.438 21.537 19.000 0.165 0.000 1.303 274 A HN 0.554 nan 8.150 nan 0.000 0.413 275 Y N -0.069 120.174 120.300 -0.095 0.000 2.441 275 Y HA 0.645 5.195 4.550 -0.000 0.000 0.334 275 Y C -0.906 174.756 175.900 -0.397 0.000 1.061 275 Y CA -0.308 57.584 58.100 -0.346 0.000 1.032 275 Y CB 2.206 40.463 38.460 -0.338 0.000 1.266 275 Y HN 0.688 nan 8.280 nan 0.000 0.441 276 T N 6.816 120.459 114.554 -1.517 0.000 2.921 276 T HA 0.474 4.824 4.350 -0.000 0.000 0.297 276 T C -1.627 172.321 174.700 -1.253 0.000 1.013 276 T CA -0.919 60.456 62.100 -1.208 0.000 0.990 276 T CB 1.409 69.674 68.868 -1.005 0.000 1.023 276 T HN 0.577 nan 8.240 nan 0.000 0.447 277 K N 1.639 121.564 120.400 -0.790 0.000 2.535 277 K HA 0.663 4.983 4.320 -0.000 0.000 0.251 277 K C -1.583 174.872 176.600 -0.241 0.000 0.942 277 K CA -0.561 55.439 56.287 -0.479 0.000 0.798 277 K CB 1.869 34.159 32.500 -0.350 0.000 1.267 277 K HN 0.568 nan 8.250 nan 0.000 0.434 278 S N 3.510 119.120 115.700 -0.150 0.000 2.619 278 S HA 0.498 4.968 4.470 -0.000 0.000 0.280 278 S C -1.964 172.614 174.600 -0.037 0.000 1.150 278 S CA -0.852 57.303 58.200 -0.076 0.000 0.978 278 S CB 0.659 63.836 63.200 -0.040 0.000 1.041 278 S HN 0.625 nan 8.310 nan 0.000 0.485 279 K N 2.623 123.011 120.400 -0.019 0.000 2.443 279 K HA 0.833 5.152 4.320 -0.000 0.000 0.252 279 K C -0.530 176.072 176.600 0.004 0.000 0.933 279 K CA -0.976 55.311 56.287 -0.000 0.000 0.792 279 K CB 1.827 34.334 32.500 0.011 0.000 1.185 279 K HN 0.496 nan 8.250 nan 0.000 0.425 280 A N 3.182 126.006 122.820 0.007 0.000 2.340 280 A HA 0.380 4.700 4.320 -0.000 0.000 0.268 280 A C -0.700 176.895 177.584 0.018 0.000 1.100 280 A CA -0.493 51.549 52.037 0.009 0.000 0.803 280 A CB 0.369 19.372 19.000 0.005 0.000 1.043 280 A HN 0.770 nan 8.150 nan 0.000 0.488 281 K N 0.760 121.173 120.400 0.021 0.000 2.318 281 K HA 0.425 4.745 4.320 -0.000 0.000 0.249 281 K C -0.977 175.640 176.600 0.028 0.000 0.942 281 K CA -0.780 55.524 56.287 0.028 0.000 0.808 281 K CB 1.443 33.963 32.500 0.034 0.000 1.189 281 K HN 0.681 nan 8.250 nan 0.000 0.428 282 D N -0.163 120.255 120.400 0.029 0.000 2.911 282 D HA -0.151 4.489 4.640 -0.000 0.000 0.227 282 D C -0.223 176.094 176.300 0.029 0.000 1.164 282 D CA 0.645 54.662 54.000 0.029 0.000 0.782 282 D CB -1.764 39.053 40.800 0.029 0.000 1.094 282 D HN 0.153 nan 8.370 nan 0.000 0.425 283 V N 1.935 121.865 119.914 0.027 0.000 2.584 283 V HA -0.129 3.991 4.120 -0.000 0.000 0.303 283 V C 1.318 177.429 176.094 0.029 0.000 1.035 283 V CA 0.267 62.583 62.300 0.026 0.000 1.172 283 V CB 0.453 32.288 31.823 0.021 0.000 0.896 283 V HN 0.104 nan 8.190 nan 0.000 0.486 284 E N 5.236 125.455 120.200 0.031 0.000 2.311 284 E HA 0.187 4.537 4.350 -0.000 0.000 0.247 284 E C 1.147 177.766 176.600 0.032 0.000 1.215 284 E CA 0.743 57.161 56.400 0.031 0.000 0.957 284 E CB -0.345 29.375 29.700 0.032 0.000 1.020 284 E HN 1.028 nan 8.360 nan 0.000 0.461 285 G N 2.720 111.540 108.800 0.033 0.000 2.491 285 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.203 285 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.203 285 G C 0.763 175.688 174.900 0.042 0.000 1.052 285 G CA 0.013 45.135 45.100 0.038 0.000 0.675 285 G HN 0.414 nan 8.290 nan 0.000 0.504 286 I N 1.925 122.521 120.570 0.043 0.000 3.081 286 I HA 0.525 4.695 4.170 -0.000 0.000 0.274 286 I C 2.015 178.156 176.117 0.040 0.000 1.178 286 I CA 1.969 63.298 61.300 0.048 0.000 1.460 286 I CB 0.012 38.043 38.000 0.052 0.000 1.137 286 I HN 1.382 nan 8.210 nan 0.000 0.443 287 G N 0.414 109.235 108.800 0.035 0.000 2.503 287 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 287 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 287 G C -0.864 174.054 174.900 0.031 0.000 1.179 287 G CA -0.268 44.851 45.100 0.032 0.000 0.944 287 G HN 0.216 nan 8.290 nan 0.000 0.580 288 D N 0.770 121.189 120.400 0.031 0.000 2.304 288 D HA 0.555 5.195 4.640 -0.000 0.000 0.250 288 D C 0.303 176.622 176.300 0.031 0.000 1.107 288 D CA 0.428 54.446 54.000 0.030 0.000 0.885 288 D CB 1.721 42.540 40.800 0.031 0.000 1.192 288 D HN 0.872 nan 8.370 nan 0.000 0.436 289 V N 0.742 120.672 119.914 0.027 0.000 2.851 289 V HA 0.291 4.411 4.120 -0.000 0.000 0.307 289 V C -0.695 175.411 176.094 0.020 0.000 1.129 289 V CA -1.161 61.155 62.300 0.026 0.000 0.932 289 V CB 2.267 34.103 31.823 0.022 0.000 1.024 289 V HN 0.290 nan 8.190 nan 0.000 0.426 290 D N 2.104 122.517 120.400 0.022 0.000 2.302 290 D HA 0.530 5.170 4.640 -0.000 0.000 0.248 290 D C 0.731 177.040 176.300 0.016 0.000 1.094 290 D CA -0.105 53.904 54.000 0.015 0.000 0.897 290 D CB 2.022 42.832 40.800 0.018 0.000 1.200 290 D HN 0.467 nan 8.370 nan 0.000 0.429 291 L N 0.619 121.850 121.223 0.014 0.000 2.445 291 L HA 0.213 4.553 4.340 -0.000 0.000 0.207 291 L C 0.086 176.988 176.870 0.053 0.000 1.053 291 L CA 0.299 55.157 54.840 0.029 0.000 0.841 291 L CB 0.426 42.508 42.059 0.038 0.000 1.074 291 L HN 0.113 nan 8.230 nan 0.000 0.479 292 V N 0.729 120.662 119.914 0.031 0.000 2.623 292 V HA 0.471 4.591 4.120 -0.000 0.000 0.304 292 V C -1.193 174.849 176.094 -0.088 0.000 1.054 292 V CA -0.614 61.714 62.300 0.048 0.000 0.882 292 V CB 1.809 33.661 31.823 0.048 0.000 1.002 292 V HN 0.210 nan 8.190 nan 0.000 0.424 293 N N 4.204 122.869 118.700 -0.059 0.000 2.616 293 N HA 0.513 5.253 4.740 -0.000 0.000 0.281 293 N C -1.510 173.941 175.510 -0.097 0.000 1.145 293 N CA -0.338 52.597 53.050 -0.192 0.000 0.919 293 N CB 1.922 40.374 38.487 -0.058 0.000 1.509 293 N HN 0.740 nan 8.380 nan 0.000 0.537 294 Y N 0.917 121.051 120.300 -0.276 0.000 2.779 294 Y HA 0.671 5.221 4.550 -0.000 0.000 0.340 294 Y C -1.956 173.781 175.900 -0.272 0.000 1.252 294 Y CA -1.288 56.684 58.100 -0.213 0.000 1.072 294 Y CB 0.515 38.774 38.460 -0.336 0.000 1.343 294 Y HN 0.088 nan 8.280 nan 0.000 0.450 295 F N 1.029 121.119 119.950 0.233 0.000 2.594 295 F HA 0.692 5.219 4.527 -0.000 0.000 0.335 295 F C -0.105 175.806 175.800 0.185 0.000 1.058 295 F CA -0.723 57.399 58.000 0.203 0.000 0.981 295 F CB 1.951 41.003 39.000 0.087 0.000 1.289 295 F HN 0.607 nan 8.300 nan 0.000 0.490 296 E N 1.187 121.589 120.200 0.337 0.000 2.308 296 E HA 0.586 4.936 4.350 -0.000 0.000 0.275 296 E C -2.187 174.509 176.600 0.160 0.000 0.890 296 E CA -0.463 56.026 56.400 0.148 0.000 0.754 296 E CB 2.309 32.127 29.700 0.195 0.000 1.207 296 E HN 0.402 nan 8.360 nan 0.000 0.426 297 V N 2.142 122.136 119.914 0.133 0.000 2.760 297 V HA 0.912 5.032 4.120 -0.000 0.000 0.309 297 V C 0.176 176.403 176.094 0.223 0.000 1.077 297 V CA -0.111 62.294 62.300 0.176 0.000 0.910 297 V CB 1.766 33.694 31.823 0.176 0.000 1.008 297 V HN 0.810 nan 8.190 nan 0.000 0.424 298 G N 2.137 111.060 108.800 0.204 0.000 2.506 298 G HA2 0.879 4.839 3.960 -0.000 0.000 0.292 298 G HA3 0.879 4.839 3.960 -0.000 0.000 0.292 298 G C -1.616 173.395 174.900 0.186 0.000 1.425 298 G CA 0.045 45.274 45.100 0.215 0.000 0.788 298 G HN 1.319 nan 8.290 nan 0.000 0.490 299 A N -0.519 122.413 122.820 0.188 0.000 2.549 299 A HA 0.901 5.220 4.320 -0.000 0.000 0.297 299 A C -0.583 177.098 177.584 0.162 0.000 1.061 299 A CA -0.457 51.680 52.037 0.166 0.000 0.690 299 A CB 1.914 21.013 19.000 0.165 0.000 1.287 299 A HN 1.041 nan 8.150 nan 0.000 0.402 300 T N 1.277 115.883 114.554 0.087 0.000 2.841 300 T HA 0.571 4.921 4.350 -0.000 0.000 0.283 300 T C -1.557 173.054 174.700 -0.148 0.000 1.000 300 T CA -0.031 62.046 62.100 -0.038 0.000 0.977 300 T CB 0.898 69.625 68.868 -0.235 0.000 0.979 300 T HN 0.536 nan 8.240 nan 0.000 0.446 301 Y N 2.553 122.678 120.300 -0.293 0.000 2.364 301 Y HA 0.547 5.097 4.550 0.000 0.000 0.340 301 Y C -1.596 174.039 175.900 -0.441 0.000 0.975 301 Y CA -1.346 56.576 58.100 -0.296 0.000 1.089 301 Y CB 0.907 39.205 38.460 -0.271 0.000 1.192 301 Y HN 0.615 nan 8.280 nan 0.000 0.454 302 Y N 7.127 127.149 120.300 -0.464 0.000 2.385 302 Y HA 0.239 4.789 4.550 -0.000 0.000 0.341 302 Y C 0.279 176.087 175.900 -0.154 0.000 0.965 302 Y CA -0.565 57.438 58.100 -0.162 0.000 1.180 302 Y CB 0.362 38.733 38.460 -0.148 0.000 1.139 302 Y HN 0.695 nan 8.280 nan 0.000 0.502 303 F N 1.329 121.469 119.950 0.317 0.000 2.134 303 F HA -0.192 4.335 4.527 0.000 0.000 0.299 303 F C 0.902 176.831 175.800 0.214 0.000 1.097 303 F CA 1.296 59.502 58.000 0.343 0.000 1.264 303 F CB -0.090 39.079 39.000 0.281 0.000 1.001 303 F HN 0.592 nan 8.300 nan 0.000 0.479 304 N N -1.317 117.603 118.700 0.367 0.000 3.547 304 N HA 0.065 4.805 4.740 -0.000 0.000 0.347 304 N C -0.223 175.393 175.510 0.177 0.000 1.533 304 N CA -0.510 52.669 53.050 0.214 0.000 0.848 304 N CB 0.028 38.627 38.487 0.187 0.000 2.112 304 N HN -0.032 nan 8.380 nan 0.000 0.527 305 K N -1.039 119.416 120.400 0.092 0.000 2.525 305 K HA 0.231 4.551 4.320 -0.000 0.000 0.192 305 K C -0.218 176.408 176.600 0.044 0.000 1.029 305 K CA 1.014 57.325 56.287 0.041 0.000 1.029 305 K CB -0.411 32.084 32.500 -0.007 0.000 0.814 305 K HN 0.437 nan 8.250 nan 0.000 0.503 306 N N -0.642 118.101 118.700 0.072 0.000 2.257 306 N HA 0.146 4.886 4.740 -0.000 0.000 0.200 306 N C -0.760 174.752 175.510 0.003 0.000 1.163 306 N CA -0.186 52.838 53.050 -0.042 0.000 0.891 306 N CB 0.673 39.147 38.487 -0.021 0.000 1.067 306 N HN 0.029 nan 8.380 nan 0.000 0.497 307 M N 0.698 120.413 119.600 0.191 0.000 2.386 307 M HA 0.514 4.994 4.480 -0.000 0.000 0.293 307 M C -1.528 175.050 176.300 0.462 0.000 1.120 307 M CA -0.603 54.860 55.300 0.271 0.000 0.909 307 M CB 1.932 34.657 32.600 0.208 0.000 1.661 307 M HN 0.091 nan 8.290 nan 0.000 0.452 308 S N 1.231 117.188 115.700 0.428 0.000 2.636 308 S HA 1.001 5.471 4.470 -0.000 0.000 0.268 308 S C -1.096 173.732 174.600 0.381 0.000 1.159 308 S CA -0.280 58.180 58.200 0.433 0.000 0.815 308 S CB 1.732 65.003 63.200 0.118 0.000 1.130 308 S HN 0.993 nan 8.310 nan 0.000 0.471 309 T N -0.989 113.754 114.554 0.314 0.000 2.853 309 T HA 0.815 5.165 4.350 -0.000 0.000 0.311 309 T C -1.452 173.359 174.700 0.185 0.000 1.307 309 T CA -0.768 61.454 62.100 0.203 0.000 1.019 309 T CB 1.190 70.190 68.868 0.220 0.000 1.264 309 T HN 1.918 nan 8.240 nan 0.000 0.497 310 Y N -1.644 118.703 120.300 0.079 0.000 2.641 310 Y HA 0.753 5.303 4.550 -0.000 0.000 0.333 310 Y C -2.048 173.907 175.900 0.090 0.000 1.174 310 Y CA -1.617 56.519 58.100 0.060 0.000 1.057 310 Y CB 0.730 39.205 38.460 0.025 0.000 1.322 310 Y HN 0.597 nan 8.280 nan 0.000 0.457 311 V N 2.026 122.096 119.914 0.260 0.000 2.540 311 V HA 0.513 4.633 4.120 -0.000 0.000 0.302 311 V C -1.331 174.965 176.094 0.336 0.000 1.035 311 V CA -0.455 61.975 62.300 0.217 0.000 0.873 311 V CB 1.630 33.527 31.823 0.125 0.000 0.992 311 V HN 0.809 nan 8.190 nan 0.000 0.428 312 D N 2.296 122.925 120.400 0.382 0.000 2.629 312 D HA 0.409 5.049 4.640 -0.000 0.000 0.250 312 D C -1.736 174.844 176.300 0.467 0.000 1.126 312 D CA -0.273 53.973 54.000 0.410 0.000 0.852 312 D CB 1.702 42.752 40.800 0.417 0.000 1.335 312 D HN 0.424 nan 8.370 nan 0.000 0.518 313 Y N 4.949 125.361 120.300 0.187 0.000 2.328 313 Y HA 0.453 5.003 4.550 -0.000 0.000 0.336 313 Y C -1.210 174.647 175.900 -0.071 0.000 0.960 313 Y CA -1.455 56.692 58.100 0.079 0.000 1.134 313 Y CB 0.768 39.265 38.460 0.063 0.000 1.166 313 Y HN 0.279 nan 8.280 nan 0.000 0.464 314 I N 8.484 128.913 120.570 -0.234 0.000 2.307 314 I HA 0.248 4.418 4.170 -0.000 0.000 0.289 314 I C -0.112 175.610 176.117 -0.659 0.000 1.021 314 I CA -0.442 60.419 61.300 -0.733 0.000 1.224 314 I CB 1.065 38.241 38.000 -1.373 0.000 1.376 314 I HN 0.616 nan 8.210 nan 0.000 0.470 315 I N 6.107 126.350 120.570 -0.545 0.000 2.257 315 I HA 0.091 4.261 4.170 -0.000 0.000 0.290 315 I C 0.663 176.744 176.117 -0.059 0.000 1.137 315 I CA -0.394 60.695 61.300 -0.351 0.000 1.255 315 I CB -0.188 37.642 38.000 -0.283 0.000 1.485 315 I HN 0.454 nan 8.210 nan 0.000 0.534 316 N N 4.419 123.060 118.700 -0.099 0.000 2.414 316 N HA -0.059 4.681 4.740 -0.000 0.000 0.268 316 N C 0.925 176.494 175.510 0.098 0.000 1.286 316 N CA 0.447 53.504 53.050 0.012 0.000 0.896 316 N CB 0.870 39.359 38.487 0.005 0.000 1.093 316 N HN 0.387 nan 8.380 nan 0.000 0.480 317 Q N 2.562 122.448 119.800 0.144 0.000 2.424 317 Q HA 0.163 4.503 4.340 -0.000 0.000 0.204 317 Q C 0.363 176.424 176.000 0.102 0.000 0.933 317 Q CA -0.019 55.871 55.803 0.146 0.000 0.929 317 Q CB 0.403 29.247 28.738 0.177 0.000 1.037 317 Q HN 0.601 nan 8.270 nan 0.000 0.511 318 I N 3.213 123.838 120.570 0.092 0.000 2.872 318 I HA -0.100 4.070 4.170 -0.000 0.000 0.291 318 I C 0.836 177.000 176.117 0.077 0.000 1.216 318 I CA 0.480 61.827 61.300 0.079 0.000 1.424 318 I CB 0.124 38.176 38.000 0.086 0.000 1.351 318 I HN 0.205 nan 8.210 nan 0.000 0.592 319 D N 3.181 123.624 120.400 0.071 0.000 2.272 319 D HA 0.140 4.780 4.640 -0.000 0.000 0.247 319 D C 0.689 177.033 176.300 0.073 0.000 0.990 319 D CA -0.404 53.638 54.000 0.069 0.000 0.931 319 D CB 1.570 42.408 40.800 0.063 0.000 1.195 319 D HN 0.506 nan 8.370 nan 0.000 0.477 320 S N 1.032 116.775 115.700 0.073 0.000 2.465 320 S HA -0.193 4.277 4.470 -0.000 0.000 0.241 320 S C 0.622 175.280 174.600 0.097 0.000 1.000 320 S CA 0.857 59.106 58.200 0.081 0.000 0.964 320 S CB -0.198 63.044 63.200 0.070 0.000 0.763 320 S HN 0.497 nan 8.310 nan 0.000 0.512 321 D N 1.752 122.204 120.400 0.087 0.000 2.358 321 D HA 0.130 4.770 4.640 -0.000 0.000 0.224 321 D C 0.075 176.443 176.300 0.114 0.000 1.123 321 D CA -0.096 53.961 54.000 0.095 0.000 0.833 321 D CB -0.507 40.333 40.800 0.066 0.000 0.946 321 D HN 0.373 nan 8.370 nan 0.000 0.505 322 N N 2.050 120.817 118.700 0.111 0.000 2.434 322 N HA -0.092 4.647 4.740 -0.000 0.000 0.268 322 N C 1.143 176.737 175.510 0.140 0.000 1.256 322 N CA 0.061 53.169 53.050 0.096 0.000 0.914 322 N CB 0.755 39.280 38.487 0.064 0.000 1.088 322 N HN -0.162 nan 8.380 nan 0.000 0.478 323 K N 3.930 124.415 120.400 0.142 0.000 2.160 323 K HA -0.135 4.185 4.320 -0.000 0.000 0.206 323 K C 1.575 178.254 176.600 0.131 0.000 1.047 323 K CA 1.057 57.473 56.287 0.215 0.000 0.930 323 K CB -0.133 32.450 32.500 0.140 0.000 0.720 323 K HN 0.623 nan 8.250 nan 0.000 0.450 324 L N -0.590 120.608 121.223 -0.042 0.000 2.313 324 L HA -0.010 4.330 4.340 -0.000 0.000 0.214 324 L C 1.350 177.929 176.870 -0.484 0.000 1.119 324 L CA 0.849 55.564 54.840 -0.209 0.000 0.809 324 L CB -0.314 41.673 42.059 -0.119 0.000 0.933 324 L HN 0.470 nan 8.230 nan 0.000 0.449 325 G N -0.394 108.165 108.800 -0.401 0.000 2.176 325 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.232 325 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.232 325 G C 0.267 175.069 174.900 -0.163 0.000 0.986 325 G CA -0.072 44.772 45.100 -0.428 0.000 0.643 325 G HN 0.048 nan 8.290 nan 0.000 0.522 326 V N 1.787 121.639 119.914 -0.103 0.000 2.557 326 V HA 0.401 4.521 4.120 -0.000 0.000 0.301 326 V C 1.753 177.850 176.094 0.006 0.000 1.026 326 V CA 0.642 62.919 62.300 -0.038 0.000 1.137 326 V CB 0.531 32.349 31.823 -0.009 0.000 0.917 326 V HN 0.898 nan 8.190 nan 0.000 0.484 327 G N 3.957 112.765 108.800 0.014 0.000 2.474 327 G HA2 0.235 4.195 3.960 -0.000 0.000 0.233 327 G HA3 0.235 4.195 3.960 -0.000 0.000 0.233 327 G C 0.896 175.841 174.900 0.074 0.000 1.278 327 G CA 0.225 45.352 45.100 0.044 0.000 0.861 327 G HN 1.060 nan 8.290 nan 0.000 0.567 328 S N 0.215 115.961 115.700 0.077 0.000 2.539 328 S HA 0.146 4.616 4.470 -0.000 0.000 0.221 328 S C 0.218 174.867 174.600 0.082 0.000 0.987 328 S CA -0.358 57.891 58.200 0.082 0.000 0.929 328 S CB 0.433 63.679 63.200 0.076 0.000 0.832 328 S HN 0.477 nan 8.310 nan 0.000 0.492 329 D N 2.791 123.243 120.400 0.087 0.000 2.329 329 D HA 0.403 5.043 4.640 -0.000 0.000 0.246 329 D C -0.430 175.925 176.300 0.092 0.000 1.111 329 D CA -0.088 53.966 54.000 0.090 0.000 0.941 329 D CB 0.674 41.531 40.800 0.094 0.000 1.169 329 D HN 0.153 nan 8.370 nan 0.000 0.441 330 D N -0.400 120.059 120.400 0.099 0.000 2.377 330 D HA 0.430 5.070 4.640 -0.000 0.000 0.245 330 D C -0.217 176.167 176.300 0.139 0.000 1.196 330 D CA 0.220 54.279 54.000 0.099 0.000 0.962 330 D CB 0.725 41.650 40.800 0.208 0.000 1.127 330 D HN 0.057 nan 8.370 nan 0.000 0.471 331 T N -0.323 114.309 114.554 0.131 0.000 2.993 331 T HA 0.486 4.836 4.350 -0.000 0.000 0.312 331 T C -1.053 173.808 174.700 0.267 0.000 1.115 331 T CA -0.614 61.591 62.100 0.175 0.000 1.027 331 T CB 1.535 70.477 68.868 0.123 0.000 1.116 331 T HN 0.022 nan 8.240 nan 0.000 0.464 332 V N 2.162 122.267 119.914 0.318 0.000 2.483 332 V HA 0.796 4.916 4.120 -0.000 0.000 0.297 332 V C -0.219 176.121 176.094 0.410 0.000 1.027 332 V CA -0.785 61.714 62.300 0.332 0.000 0.855 332 V CB 1.538 33.434 31.823 0.122 0.000 0.995 332 V HN 1.121 nan 8.190 nan 0.000 0.424 333 A N 5.107 128.141 122.820 0.357 0.000 2.304 333 A HA 0.895 5.215 4.320 -0.000 0.000 0.323 333 A C -0.822 176.932 177.584 0.284 0.000 1.195 333 A CA -0.497 51.718 52.037 0.297 0.000 0.826 333 A CB 1.376 20.375 19.000 -0.001 0.000 1.184 333 A HN 0.700 nan 8.150 nan 0.000 0.496 334 V N 1.578 121.654 119.914 0.269 0.000 2.588 334 V HA 0.848 4.968 4.120 -0.000 0.000 0.304 334 V C 0.474 176.486 176.094 -0.138 0.000 1.042 334 V CA 0.028 62.362 62.300 0.057 0.000 0.877 334 V CB 1.803 33.761 31.823 0.224 0.000 0.996 334 V HN 1.329 nan 8.190 nan 0.000 0.425 335 G N 3.084 111.526 108.800 -0.597 0.000 2.696 335 G HA2 0.752 4.712 3.960 -0.000 0.000 0.295 335 G HA3 0.752 4.712 3.960 -0.000 0.000 0.295 335 G C -1.893 172.768 174.900 -0.398 0.000 1.398 335 G CA -0.583 44.215 45.100 -0.503 0.000 0.920 335 G HN 0.785 nan 8.290 nan 0.000 0.492 336 I N 1.104 121.603 120.570 -0.119 0.000 2.465 336 I HA 0.722 4.892 4.170 -0.000 0.000 0.291 336 I C -1.213 174.940 176.117 0.060 0.000 1.014 336 I CA -0.984 60.311 61.300 -0.007 0.000 1.093 336 I CB 1.950 39.949 38.000 -0.002 0.000 1.267 336 I HN 0.264 nan 8.210 nan 0.000 0.431 337 V N 7.864 127.857 119.914 0.132 0.000 2.487 337 V HA 0.378 4.498 4.120 -0.000 0.000 0.298 337 V C -1.128 175.070 176.094 0.174 0.000 1.028 337 V CA -0.597 61.793 62.300 0.149 0.000 0.860 337 V CB 1.598 33.540 31.823 0.197 0.000 0.991 337 V HN 0.643 nan 8.190 nan 0.000 0.427 338 Y N 5.044 125.390 120.300 0.078 0.000 2.429 338 Y HA 0.776 5.326 4.550 0.000 0.000 0.342 338 Y C -0.242 175.750 175.900 0.155 0.000 1.004 338 Y CA -0.492 57.670 58.100 0.102 0.000 1.075 338 Y CB 1.867 40.368 38.460 0.069 0.000 1.214 338 Y HN 0.757 nan 8.280 nan 0.000 0.455 339 Q N 5.125 124.405 119.800 -0.866 0.000 2.472 339 Q HA 0.548 4.887 4.340 -0.000 0.000 0.281 339 Q C -1.994 173.782 176.000 -0.375 0.000 0.997 339 Q CA -0.937 54.615 55.803 -0.418 0.000 0.828 339 Q CB 2.424 31.071 28.738 -0.152 0.000 1.443 339 Q HN 0.620 nan 8.270 nan 0.000 0.390 340 F N 0.000 119.818 119.950 -0.221 0.000 2.286 340 F HA 0.000 4.527 4.527 -0.000 0.000 0.279 340 F CA 0.000 57.962 58.000 -0.064 0.000 1.383 340 F CB 0.000 39.039 39.000 0.065 0.000 1.145 340 F HN 0.000 nan 8.300 nan 0.000 0.574