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 3hp9_1_A DATA FIRST_RESID 7 DATA SEQUENCE QQSTFLFHDY ETFGTHPALD RPAQFAAIRT DSEFNVIGEP EVFYCKPADD DATA SEQUENCE YLPQPGAVLI TGITPQEARA KGENEAAFAA RIHSLFTVPK TCILGYNNVR DATA SEQUENCE FDDEVTRNIF YRNFYDPYAW SWQHDNSRWD LLDVMRACYA LRPEGINWPE DATA SEQUENCE NDDGLPSFRL EHLTKANGIE HSXXXDAMAD VYATIAMAKL VKTRQPRLFD DATA SEQUENCE YLFTHRNKHK LMALIDVPQM KPLVHVSGMF GAWRGNTSWV APLAWHPENR DATA SEQUENCE NAVIMVDLAG DISPLLELDS DTLRERLYXX XXXXXXNAAV PVKLVHINKC DATA SEQUENCE PVLAQANTLR PEDADRLGIN RQHCLDNLKI LRENPQVREK VVAIFAEXXX DATA SEQUENCE XXXSDNVDAQ LYNGFFSDAD RAAMKIVLET EPRNLPALDI TFVDKRIEKL DATA SEQUENCE LFNYRARNFP GTLDYAEQQR WLEHRRQVFT PEFLQGYADE LQMLVQQYAD DATA SEQUENCE DKEKVALLKA LWQYADEIV 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 7 Q HA 0.000 nan 4.340 nan 0.000 0.214 7 Q C 0.000 176.001 176.000 0.002 0.000 1.003 7 Q CA 0.000 55.803 55.803 0.000 0.000 1.022 7 Q CB 0.000 28.734 28.738 -0.006 0.000 1.108 8 Q N 1.090 120.894 119.800 0.007 0.000 2.214 8 Q HA 0.505 4.851 4.340 0.010 0.000 0.251 8 Q C -0.611 175.387 176.000 -0.003 0.000 0.936 8 Q CA -0.422 55.385 55.803 0.006 0.000 0.894 8 Q CB 1.968 30.716 28.738 0.017 0.000 1.252 8 Q HN 0.711 nan 8.270 nan 0.000 0.448 9 S N 1.458 117.147 115.700 -0.018 0.000 2.531 9 S HA 0.335 4.811 4.470 0.010 0.000 0.279 9 S C 0.304 174.863 174.600 -0.067 0.000 1.305 9 S CA -0.237 57.928 58.200 -0.058 0.000 1.058 9 S CB 0.305 63.461 63.200 -0.072 0.000 0.899 9 S HN 0.652 nan 8.310 nan 0.000 0.493 10 T N 0.116 114.610 114.554 -0.100 0.000 2.901 10 T HA 0.753 5.109 4.350 0.010 0.000 0.293 10 T C -0.933 173.671 174.700 -0.160 0.000 1.084 10 T CA -0.778 61.305 62.100 -0.028 0.000 1.008 10 T CB 0.672 69.588 68.868 0.079 0.000 1.170 10 T HN 0.252 nan 8.240 nan 0.000 0.509 11 F N 0.657 120.720 119.950 0.188 0.000 2.469 11 F HA 0.664 5.197 4.527 0.010 0.000 0.332 11 F C -0.326 175.576 175.800 0.169 0.000 1.103 11 F CA -1.199 56.900 58.000 0.165 0.000 0.979 11 F CB 1.876 41.044 39.000 0.280 0.000 1.137 11 F HN 0.438 nan 8.300 nan 0.000 0.463 12 L N 4.977 126.339 121.223 0.231 0.000 2.301 12 L HA 0.503 4.850 4.340 0.010 0.000 0.278 12 L C -1.229 175.754 176.870 0.187 0.000 1.022 12 L CA -0.265 54.718 54.840 0.237 0.000 0.854 12 L CB -0.265 41.907 42.059 0.188 0.000 1.226 12 L HN 0.348 nan 8.230 nan 0.000 0.429 13 F N 5.223 125.315 119.950 0.236 0.000 2.456 13 F HA 0.399 4.933 4.527 0.011 0.000 0.358 13 F C 0.791 176.651 175.800 0.100 0.000 1.095 13 F CA 0.191 58.284 58.000 0.154 0.000 1.216 13 F CB 0.430 39.451 39.000 0.035 0.000 1.125 13 F HN 0.568 nan 8.300 nan 0.000 0.549 14 H N 0.616 119.710 119.070 0.041 0.000 2.990 14 H HA 0.664 5.227 4.556 0.010 0.000 0.343 14 H C -2.116 173.080 175.328 -0.221 0.000 1.270 14 H CA -1.352 54.559 56.048 -0.227 0.000 1.118 14 H CB 2.110 31.753 29.762 -0.198 0.000 1.861 14 H HN 0.536 nan 8.280 nan 0.000 0.544 15 D N 0.068 120.125 120.400 -0.572 0.000 2.836 15 D HA 0.320 4.966 4.640 0.010 0.000 0.215 15 D C -1.769 174.305 176.300 -0.377 0.000 1.255 15 D CA -0.245 53.526 54.000 -0.381 0.000 0.822 15 D CB 1.682 42.344 40.800 -0.229 0.000 1.656 15 D HN 0.389 nan 8.370 nan 0.000 0.511 16 Y N 1.108 121.397 120.300 -0.019 0.000 2.361 16 Y HA 0.437 4.994 4.550 0.010 0.000 0.332 16 Y C 0.527 176.464 175.900 0.062 0.000 1.101 16 Y CA -0.547 57.590 58.100 0.062 0.000 1.137 16 Y CB 1.393 39.939 38.460 0.143 0.000 1.207 16 Y HN 0.113 nan 8.280 nan 0.000 0.463 17 E N 1.905 122.203 120.200 0.163 0.000 2.175 17 E HA 0.340 4.696 4.350 0.010 0.000 0.278 17 E C -0.335 176.289 176.600 0.041 0.000 0.969 17 E CA -0.389 56.057 56.400 0.077 0.000 0.796 17 E CB 1.754 31.433 29.700 -0.034 0.000 1.104 17 E HN 0.729 nan 8.360 nan 0.000 0.395 18 T N -1.834 112.748 114.554 0.047 0.000 2.888 18 T HA 0.484 4.840 4.350 0.010 0.000 0.288 18 T C 0.222 174.879 174.700 -0.072 0.000 1.063 18 T CA -0.638 61.455 62.100 -0.011 0.000 1.010 18 T CB 0.420 69.411 68.868 0.204 0.000 1.214 18 T HN 0.188 nan 8.240 nan 0.000 0.533 19 F N 0.661 120.740 119.950 0.215 0.000 2.660 19 F HA 0.605 5.138 4.527 0.010 0.000 0.302 19 F C 1.439 177.421 175.800 0.302 0.000 1.103 19 F CA 0.036 58.196 58.000 0.267 0.000 1.340 19 F CB 0.218 39.454 39.000 0.393 0.000 1.048 19 F HN 1.110 nan 8.300 nan 0.000 0.551 20 G N -1.176 107.868 108.800 0.407 0.000 2.356 20 G HA2 0.277 4.243 3.960 0.010 0.000 0.294 20 G HA3 0.277 4.243 3.960 0.010 0.000 0.294 20 G C 0.386 175.479 174.900 0.321 0.000 1.423 20 G CA -0.092 45.218 45.100 0.349 0.000 0.806 20 G HN -0.057 nan 8.290 nan 0.000 0.527 21 T N -2.707 112.009 114.554 0.269 0.000 3.043 21 T HA 0.086 4.443 4.350 0.010 0.000 0.263 21 T C 0.831 175.735 174.700 0.341 0.000 1.094 21 T CA 0.962 63.201 62.100 0.232 0.000 1.127 21 T CB -0.128 68.813 68.868 0.123 0.000 0.905 21 T HN 0.520 nan 8.240 nan 0.000 0.490 22 H N 3.505 122.726 119.070 0.252 0.000 2.782 22 H HA 0.244 4.806 4.556 0.010 0.000 0.285 22 H C -1.756 173.665 175.328 0.154 0.000 1.093 22 H CA -2.349 53.819 56.048 0.200 0.000 1.410 22 H CB 1.878 31.737 29.762 0.162 0.000 1.439 22 H HN 0.076 nan 8.280 nan 0.000 0.469 23 P HA -0.062 nan 4.420 nan 0.000 0.226 23 P C 0.793 178.138 177.300 0.076 0.000 1.153 23 P CA 0.947 64.047 63.100 0.001 0.000 0.777 23 P CB 0.434 32.047 31.700 -0.144 0.000 0.794 24 A N -0.526 122.496 122.820 0.338 0.000 1.942 24 A HA 0.161 4.487 4.320 0.010 0.000 0.209 24 A C 2.121 179.749 177.584 0.073 0.000 1.214 24 A CA 0.483 52.632 52.037 0.188 0.000 0.686 24 A CB -0.906 18.221 19.000 0.212 0.000 0.871 24 A HN 0.096 nan 8.150 nan 0.000 0.460 25 L N -0.244 120.976 121.223 -0.005 0.000 2.554 25 L HA 0.169 4.515 4.340 0.010 0.000 0.225 25 L C -0.236 176.667 176.870 0.056 0.000 1.104 25 L CA 0.002 54.764 54.840 -0.129 0.000 0.866 25 L CB 0.015 41.810 42.059 -0.441 0.000 1.047 25 L HN 0.219 nan 8.230 nan 0.000 0.468 26 D N 0.314 120.801 120.400 0.145 0.000 2.268 26 D HA 0.338 4.984 4.640 0.010 0.000 0.249 26 D C -0.030 176.224 176.300 -0.078 0.000 1.008 26 D CA -0.414 53.688 54.000 0.170 0.000 0.939 26 D CB 1.550 42.575 40.800 0.374 0.000 1.170 26 D HN -0.136 nan 8.370 nan 0.000 0.468 27 R N 1.196 121.548 120.500 -0.248 0.000 2.604 27 R HA 0.453 4.799 4.340 0.010 0.000 0.287 27 R C -2.321 174.000 176.300 0.034 0.000 0.970 27 R CA -1.873 54.108 56.100 -0.198 0.000 0.946 27 R CB 0.921 30.982 30.300 -0.398 0.000 1.127 27 R HN 0.264 nan 8.270 nan 0.000 0.473 28 P HA 0.129 nan 4.420 nan 0.000 0.274 28 P C -0.436 176.750 177.300 -0.190 0.000 1.231 28 P CA -0.025 63.032 63.100 -0.072 0.000 0.790 28 P CB 1.044 32.752 31.700 0.014 0.000 0.951 29 A N 1.912 124.548 122.820 -0.306 0.000 1.999 29 A HA 0.120 4.446 4.320 0.010 0.000 0.200 29 A C 0.873 178.384 177.584 -0.122 0.000 1.363 29 A CA 0.795 52.571 52.037 -0.435 0.000 0.844 29 A CB 0.002 18.422 19.000 -0.967 0.000 0.954 29 A HN 0.631 nan 8.150 nan 0.000 0.481 30 Q N -1.348 118.424 119.800 -0.046 0.000 2.340 30 Q HA 0.552 4.899 4.340 0.010 0.000 0.276 30 Q C -2.306 173.742 176.000 0.080 0.000 1.048 30 Q CA -0.680 55.062 55.803 -0.102 0.000 0.832 30 Q CB 2.054 30.592 28.738 -0.334 0.000 1.373 30 Q HN 0.328 nan 8.270 nan 0.000 0.409 31 F N 1.992 121.768 119.950 -0.291 0.000 2.520 31 F HA 0.833 5.367 4.527 0.011 0.000 0.322 31 F C -1.434 173.951 175.800 -0.691 0.000 1.103 31 F CA -0.382 57.251 58.000 -0.611 0.000 0.926 31 F CB 1.790 40.172 39.000 -1.030 0.000 1.154 31 F HN 0.589 nan 8.300 nan 0.000 0.453 32 A N 4.376 126.540 122.820 -1.093 0.000 2.393 32 A HA 0.977 5.304 4.320 0.010 0.000 0.306 32 A C -1.549 175.498 177.584 -0.894 0.000 1.050 32 A CA -0.102 51.470 52.037 -0.776 0.000 0.724 32 A CB 1.231 19.951 19.000 -0.468 0.000 1.248 32 A HN 1.543 nan 8.150 nan 0.000 0.424 33 A N 1.325 123.852 122.820 -0.487 0.000 2.606 33 A HA 0.864 5.190 4.320 0.010 0.000 0.293 33 A C -1.354 176.197 177.584 -0.054 0.000 1.082 33 A CA -0.315 51.589 52.037 -0.221 0.000 0.685 33 A CB 1.045 20.026 19.000 -0.031 0.000 1.284 33 A HN 1.521 nan 8.150 nan 0.000 0.408 34 I N -0.003 120.595 120.570 0.046 0.000 2.841 34 I HA 0.506 4.682 4.170 0.010 0.000 0.298 34 I C -0.568 175.689 176.117 0.234 0.000 1.304 34 I CA -0.575 60.781 61.300 0.093 0.000 1.019 34 I CB 1.976 39.960 38.000 -0.025 0.000 1.282 34 I HN 0.820 nan 8.210 nan 0.000 0.432 35 R N 3.567 124.205 120.500 0.229 0.000 2.368 35 R HA 0.620 4.966 4.340 0.010 0.000 0.302 35 R C -0.811 175.671 176.300 0.303 0.000 1.002 35 R CA -0.199 56.071 56.100 0.282 0.000 0.929 35 R CB 1.446 31.873 30.300 0.212 0.000 1.073 35 R HN 0.727 nan 8.270 nan 0.000 0.464 36 T N -0.276 114.530 114.554 0.420 0.000 2.930 36 T HA 0.295 4.651 4.350 0.010 0.000 0.290 36 T C -0.178 174.744 174.700 0.369 0.000 1.052 36 T CA -1.054 61.287 62.100 0.402 0.000 1.017 36 T CB 1.544 70.737 68.868 0.541 0.000 1.137 36 T HN 0.626 nan 8.240 nan 0.000 0.511 37 D N 0.452 121.013 120.400 0.268 0.000 2.380 37 D HA 0.139 4.785 4.640 0.010 0.000 0.254 37 D C 1.652 178.100 176.300 0.247 0.000 1.288 37 D CA 0.017 54.136 54.000 0.199 0.000 1.008 37 D CB 0.019 40.888 40.800 0.115 0.000 1.099 37 D HN 0.596 nan 8.370 nan 0.000 0.537 38 S N -1.488 114.287 115.700 0.126 0.000 2.507 38 S HA -0.134 4.342 4.470 0.010 0.000 0.235 38 S C 0.928 175.462 174.600 -0.110 0.000 0.988 38 S CA 0.528 58.789 58.200 0.102 0.000 0.944 38 S CB -0.333 62.872 63.200 0.009 0.000 0.762 38 S HN 0.496 nan 8.310 nan 0.000 0.526 39 E N 0.168 120.287 120.200 -0.135 0.000 2.501 39 E HA 0.267 4.623 4.350 0.010 0.000 0.200 39 E C -0.524 175.968 176.600 -0.181 0.000 1.016 39 E CA -0.293 55.960 56.400 -0.244 0.000 0.921 39 E CB -0.146 29.511 29.700 -0.071 0.000 1.034 39 E HN 0.476 nan 8.360 nan 0.000 0.468 40 F N -0.459 119.572 119.950 0.135 0.000 2.884 40 F HA -0.250 4.284 4.527 0.010 0.000 0.294 40 F C 0.160 175.990 175.800 0.051 0.000 0.723 40 F CA 0.009 58.058 58.000 0.081 0.000 1.294 40 F CB -2.416 36.562 39.000 -0.036 0.000 1.551 40 F HN 0.023 nan 8.300 nan 0.000 0.363 41 N N 1.415 120.230 118.700 0.192 0.000 2.475 41 N HA 0.308 5.054 4.740 0.010 0.000 0.267 41 N C 0.196 175.799 175.510 0.155 0.000 1.169 41 N CA -0.108 53.022 53.050 0.133 0.000 0.947 41 N CB 1.410 39.952 38.487 0.091 0.000 1.061 41 N HN -0.004 nan 8.380 nan 0.000 0.466 42 V N 4.039 124.031 119.914 0.130 0.000 2.493 42 V HA -0.013 4.114 4.120 0.010 0.000 0.292 42 V C 1.734 177.904 176.094 0.126 0.000 1.016 42 V CA 0.318 62.705 62.300 0.144 0.000 1.097 42 V CB -0.164 31.744 31.823 0.141 0.000 0.947 42 V HN 0.626 nan 8.190 nan 0.000 0.479 43 I N 2.000 122.654 120.570 0.140 0.000 4.403 43 I HA 0.540 4.716 4.170 0.010 0.000 0.331 43 I C 0.896 177.078 176.117 0.108 0.000 1.327 43 I CA 0.067 61.435 61.300 0.113 0.000 1.175 43 I CB 0.488 38.555 38.000 0.112 0.000 1.165 43 I HN 0.558 nan 8.210 nan 0.000 0.413 44 G N 1.241 110.116 108.800 0.125 0.000 2.552 44 G HA2 0.514 4.481 3.960 0.010 0.000 0.324 44 G HA3 0.514 4.481 3.960 0.010 0.000 0.324 44 G C -0.859 174.106 174.900 0.109 0.000 1.217 44 G CA -0.364 44.805 45.100 0.115 0.000 0.989 44 G HN 0.037 nan 8.290 nan 0.000 0.490 45 E N 0.216 120.475 120.200 0.099 0.000 2.319 45 E HA 0.302 4.658 4.350 0.010 0.000 0.268 45 E C -2.217 174.441 176.600 0.096 0.000 1.050 45 E CA -1.803 54.655 56.400 0.096 0.000 0.878 45 E CB 0.989 30.740 29.700 0.086 0.000 1.066 45 E HN 0.109 nan 8.360 nan 0.000 0.406 46 P HA -0.012 nan 4.420 nan 0.000 0.264 46 P C -0.542 176.805 177.300 0.079 0.000 1.193 46 P CA 0.452 63.581 63.100 0.047 0.000 0.763 46 P CB 0.456 32.185 31.700 0.048 0.000 0.810 47 E N 2.530 122.778 120.200 0.081 0.000 2.101 47 E HA 0.307 4.663 4.350 0.010 0.000 0.260 47 E C -0.854 175.817 176.600 0.118 0.000 0.897 47 E CA -0.515 56.005 56.400 0.200 0.000 0.744 47 E CB 1.378 31.268 29.700 0.317 0.000 1.140 47 E HN 0.112 nan 8.360 nan 0.000 0.419 48 V N 5.018 125.023 119.914 0.152 0.000 2.483 48 V HA 0.567 4.694 4.120 0.010 0.000 0.297 48 V C -0.612 175.564 176.094 0.135 0.000 1.027 48 V CA -0.845 61.430 62.300 -0.042 0.000 0.855 48 V CB 0.452 32.236 31.823 -0.064 0.000 0.995 48 V HN 0.508 nan 8.190 nan 0.000 0.424 49 F N 2.801 122.756 119.950 0.008 0.000 2.686 49 F HA 0.825 5.358 4.527 0.010 0.000 0.311 49 F C -1.555 174.306 175.800 0.102 0.000 1.128 49 F CA -1.481 56.576 58.000 0.095 0.000 0.946 49 F CB 1.275 40.383 39.000 0.181 0.000 1.336 49 F HN 0.301 nan 8.300 nan 0.000 0.457 50 Y N -0.150 120.431 120.300 0.467 0.000 2.528 50 Y HA 0.598 5.154 4.550 0.010 0.000 0.335 50 Y C -0.292 175.685 175.900 0.128 0.000 1.093 50 Y CA -1.024 57.225 58.100 0.248 0.000 1.134 50 Y CB 1.874 40.417 38.460 0.138 0.000 1.253 50 Y HN 0.985 nan 8.280 nan 0.000 0.478 51 C N 3.172 122.398 119.300 -0.124 0.000 2.319 51 C HA 0.415 4.882 4.460 0.010 0.000 0.323 51 C C -0.487 174.457 174.990 -0.076 0.000 1.277 51 C CA -1.245 57.508 59.018 -0.442 0.000 1.517 51 C CB -0.807 26.159 27.740 -1.290 0.000 2.206 51 C HN 0.751 nan 8.230 nan 0.000 0.486 52 K N 6.745 127.142 120.400 -0.006 0.000 2.436 52 K HA 0.185 4.512 4.320 0.010 0.000 0.282 52 K C -2.148 174.476 176.600 0.039 0.000 1.044 52 K CA -0.375 55.937 56.287 0.042 0.000 1.028 52 K CB 0.453 32.968 32.500 0.025 0.000 0.919 52 K HN 0.575 nan 8.250 nan 0.000 0.474 53 P HA 0.095 nan 4.420 nan 0.000 0.280 53 P C -0.780 176.604 177.300 0.140 0.000 1.244 53 P CA -0.418 62.755 63.100 0.122 0.000 0.784 53 P CB 1.228 33.019 31.700 0.152 0.000 0.913 54 A N 2.928 125.824 122.820 0.126 0.000 2.386 54 A HA 0.147 4.473 4.320 0.010 0.000 0.246 54 A C 0.975 178.733 177.584 0.289 0.000 1.089 54 A CA -0.108 52.031 52.037 0.169 0.000 0.790 54 A CB -0.171 18.926 19.000 0.161 0.000 1.042 54 A HN 0.642 nan 8.150 nan 0.000 0.497 55 D N -0.408 120.190 120.400 0.331 0.000 2.323 55 D HA -0.036 4.610 4.640 0.010 0.000 0.239 55 D C 0.092 176.614 176.300 0.371 0.000 1.129 55 D CA 0.569 54.757 54.000 0.313 0.000 0.865 55 D CB 0.016 40.964 40.800 0.246 0.000 0.913 55 D HN 0.499 nan 8.370 nan 0.000 0.517 56 D N -1.106 119.507 120.400 0.355 0.000 2.424 56 D HA 0.043 4.690 4.640 0.010 0.000 0.220 56 D C -0.552 175.774 176.300 0.043 0.000 1.150 56 D CA -0.692 53.342 54.000 0.057 0.000 0.831 56 D CB -0.651 40.131 40.800 -0.030 0.000 0.981 56 D HN 0.296 nan 8.370 nan 0.000 0.500 57 Y N 0.247 120.654 120.300 0.179 0.000 2.470 57 Y HA 0.489 5.045 4.550 0.010 0.000 0.341 57 Y C -1.910 174.138 175.900 0.246 0.000 1.021 57 Y CA -1.106 57.073 58.100 0.132 0.000 1.025 57 Y CB 1.534 40.050 38.460 0.094 0.000 1.266 57 Y HN -0.170 nan 8.280 nan 0.000 0.448 58 L N 8.027 129.016 121.223 -0.391 0.000 2.346 58 L HA 0.607 4.953 4.340 0.010 0.000 0.276 58 L C -2.305 174.096 176.870 -0.782 0.000 1.006 58 L CA -2.107 52.489 54.840 -0.406 0.000 0.817 58 L CB 2.154 43.997 42.059 -0.360 0.000 1.272 58 L HN 0.512 nan 8.230 nan 0.000 0.421 59 P HA 0.068 nan 4.420 nan 0.000 0.274 59 P C -1.270 176.123 177.300 0.155 0.000 1.237 59 P CA -0.498 62.522 63.100 -0.133 0.000 0.793 59 P CB 0.593 32.209 31.700 -0.139 0.000 0.977 60 Q N 2.458 122.404 119.800 0.243 0.000 2.271 60 Q HA 0.052 4.398 4.340 0.010 0.000 0.273 60 Q C -1.487 174.603 176.000 0.150 0.000 1.051 60 Q CA -1.271 54.655 55.803 0.206 0.000 0.901 60 Q CB 0.060 28.928 28.738 0.218 0.000 1.174 60 Q HN 0.360 nan 8.270 nan 0.000 0.385 61 P HA -0.200 nan 4.420 nan 0.000 0.216 61 P C 1.218 178.542 177.300 0.041 0.000 1.150 61 P CA 1.463 64.567 63.100 0.006 0.000 0.843 61 P CB 0.142 31.770 31.700 -0.120 0.000 0.787 62 G N 0.010 108.837 108.800 0.046 0.000 2.442 62 G HA2 -0.262 3.704 3.960 0.010 0.000 0.219 62 G HA3 -0.262 3.704 3.960 0.010 0.000 0.219 62 G C 1.651 176.582 174.900 0.052 0.000 1.141 62 G CA 0.965 46.092 45.100 0.044 0.000 0.763 62 G HN 0.334 nan 8.290 nan 0.000 0.554 63 A N 0.135 123.018 122.820 0.105 0.000 1.877 63 A HA 0.065 4.392 4.320 0.010 0.000 0.216 63 A C 2.596 180.249 177.584 0.116 0.000 1.186 63 A CA 1.842 53.953 52.037 0.123 0.000 0.620 63 A CB -0.649 18.478 19.000 0.212 0.000 0.822 63 A HN 0.263 nan 8.150 nan 0.000 0.443 64 V N 0.276 120.285 119.914 0.158 0.000 2.427 64 V HA -0.227 3.900 4.120 0.010 0.000 0.248 64 V C 2.503 178.630 176.094 0.055 0.000 1.051 64 V CA 1.734 64.124 62.300 0.151 0.000 1.048 64 V CB -0.723 31.211 31.823 0.185 0.000 0.666 64 V HN 0.561 nan 8.190 nan 0.000 0.456 65 L N -0.821 120.405 121.223 0.005 0.000 2.131 65 L HA -0.176 4.170 4.340 0.010 0.000 0.210 65 L C 2.278 179.103 176.870 -0.075 0.000 1.092 65 L CA 1.582 56.376 54.840 -0.076 0.000 0.759 65 L CB -0.455 41.499 42.059 -0.173 0.000 0.903 65 L HN 0.305 nan 8.230 nan 0.000 0.435 66 I N -0.454 120.093 120.570 -0.039 0.000 2.277 66 I HA -0.217 3.960 4.170 0.010 0.000 0.243 66 I C 2.720 178.821 176.117 -0.026 0.000 1.094 66 I CA 1.768 63.044 61.300 -0.039 0.000 1.393 66 I CB -0.331 37.652 38.000 -0.029 0.000 1.078 66 I HN 0.344 nan 8.210 nan 0.000 0.417 67 T N -2.021 112.532 114.554 -0.002 0.000 2.978 67 T HA 0.115 4.471 4.350 0.010 0.000 0.262 67 T C 1.738 176.447 174.700 0.016 0.000 1.063 67 T CA 0.721 62.822 62.100 0.002 0.000 1.140 67 T CB -0.046 68.820 68.868 -0.002 0.000 0.886 67 T HN 0.517 nan 8.240 nan 0.000 0.470 68 G N 1.508 110.324 108.800 0.026 0.000 2.148 68 G HA2 -0.215 3.751 3.960 0.010 0.000 0.254 68 G HA3 -0.215 3.751 3.960 0.010 0.000 0.254 68 G C 0.032 174.973 174.900 0.069 0.000 0.981 68 G CA 0.276 45.397 45.100 0.035 0.000 0.670 68 G HN 0.693 nan 8.290 nan 0.000 0.528 69 I N 2.522 123.149 120.570 0.095 0.000 2.307 69 I HA 0.347 4.523 4.170 0.010 0.000 0.289 69 I C 1.163 177.422 176.117 0.237 0.000 1.021 69 I CA -0.242 61.143 61.300 0.141 0.000 1.224 69 I CB 1.240 39.317 38.000 0.129 0.000 1.376 69 I HN 0.247 nan 8.210 nan 0.000 0.470 70 T N 3.654 118.309 114.554 0.170 0.000 2.868 70 T HA 0.242 4.598 4.350 0.010 0.000 0.292 70 T C -1.514 173.255 174.700 0.115 0.000 1.028 70 T CA -1.559 60.618 62.100 0.128 0.000 1.059 70 T CB 1.109 69.996 68.868 0.032 0.000 0.991 70 T HN 0.355 nan 8.240 nan 0.000 0.531 71 P HA -0.099 nan 4.420 nan 0.000 0.218 71 P C 1.284 178.337 177.300 -0.412 0.000 1.149 71 P CA 1.068 63.807 63.100 -0.602 0.000 0.817 71 P CB 0.115 30.909 31.700 -1.510 0.000 0.785 72 Q N 0.220 119.845 119.800 -0.292 0.000 2.084 72 Q HA -0.179 4.167 4.340 0.010 0.000 0.202 72 Q C 2.373 178.348 176.000 -0.042 0.000 0.978 72 Q CA 1.700 57.457 55.803 -0.076 0.000 0.844 72 Q CB -0.677 28.066 28.738 0.009 0.000 0.898 72 Q HN 0.428 nan 8.270 nan 0.000 0.426 73 E N -0.152 120.022 120.200 -0.044 0.000 2.046 73 E HA -0.157 4.199 4.350 0.010 0.000 0.190 73 E C 1.864 178.367 176.600 -0.161 0.000 0.982 73 E CA 0.879 57.220 56.400 -0.098 0.000 0.800 73 E CB -0.114 29.530 29.700 -0.093 0.000 0.756 73 E HN 0.352 nan 8.360 nan 0.000 0.449 74 A N 1.505 124.319 122.820 -0.009 0.000 1.933 74 A HA -0.200 4.126 4.320 0.010 0.000 0.218 74 A C 2.207 179.827 177.584 0.059 0.000 1.175 74 A CA 1.594 53.684 52.037 0.089 0.000 0.628 74 A CB -0.567 18.662 19.000 0.381 0.000 0.814 74 A HN 0.227 nan 8.150 nan 0.000 0.444 75 R N -0.530 119.995 120.500 0.041 0.000 2.081 75 R HA -0.078 4.268 4.340 0.010 0.000 0.235 75 R C 2.194 178.511 176.300 0.028 0.000 1.131 75 R CA 1.414 57.544 56.100 0.050 0.000 0.960 75 R CB -0.323 30.023 30.300 0.078 0.000 0.856 75 R HN 0.446 nan 8.270 nan 0.000 0.436 76 A N 0.381 123.197 122.820 -0.007 0.000 2.016 76 A HA -0.033 4.293 4.320 0.010 0.000 0.217 76 A C 1.638 179.205 177.584 -0.029 0.000 1.162 76 A CA 0.999 53.028 52.037 -0.013 0.000 0.662 76 A CB 0.047 19.034 19.000 -0.022 0.000 0.812 76 A HN 0.275 nan 8.150 nan 0.000 0.450 77 K N -0.694 119.654 120.400 -0.087 0.000 2.354 77 K HA 0.169 4.495 4.320 0.010 0.000 0.194 77 K C 1.014 177.663 176.600 0.081 0.000 1.045 77 K CA 0.325 56.562 56.287 -0.083 0.000 1.026 77 K CB 0.484 32.752 32.500 -0.387 0.000 0.866 77 K HN 0.371 nan 8.250 nan 0.000 0.530 78 G N 1.198 110.061 108.800 0.104 0.000 2.528 78 G HA2 0.234 4.200 3.960 0.010 0.000 0.289 78 G HA3 0.234 4.200 3.960 0.010 0.000 0.289 78 G C -0.689 174.303 174.900 0.153 0.000 1.192 78 G CA -0.418 44.806 45.100 0.207 0.000 0.921 78 G HN 0.035 nan 8.290 nan 0.000 0.512 79 E N -0.502 119.805 120.200 0.179 0.000 2.243 79 E HA 0.233 4.589 4.350 0.010 0.000 0.260 79 E C -0.204 176.443 176.600 0.079 0.000 0.985 79 E CA -0.829 55.642 56.400 0.118 0.000 0.858 79 E CB 1.084 30.861 29.700 0.129 0.000 1.210 79 E HN 0.636 nan 8.360 nan 0.000 0.411 80 N N 0.257 118.969 118.700 0.019 0.000 2.340 80 N HA -0.124 4.622 4.740 0.010 0.000 0.236 80 N C 0.579 176.093 175.510 0.008 0.000 1.296 80 N CA 0.155 53.171 53.050 -0.057 0.000 0.896 80 N CB 0.500 38.863 38.487 -0.206 0.000 1.127 80 N HN 0.628 nan 8.380 nan 0.000 0.442 81 E N 0.090 120.273 120.200 -0.029 0.000 2.153 81 E HA -0.221 4.135 4.350 0.010 0.000 0.194 81 E C 1.670 178.382 176.600 0.188 0.000 0.988 81 E CA 1.224 57.678 56.400 0.090 0.000 0.811 81 E CB -0.260 29.463 29.700 0.038 0.000 0.746 81 E HN 0.721 nan 8.360 nan 0.000 0.466 82 A N 1.161 124.032 122.820 0.086 0.000 1.883 82 A HA -0.194 4.132 4.320 0.010 0.000 0.217 82 A C 2.377 180.099 177.584 0.229 0.000 1.186 82 A CA 2.044 54.212 52.037 0.218 0.000 0.624 82 A CB -0.810 18.265 19.000 0.124 0.000 0.822 82 A HN 0.407 nan 8.150 nan 0.000 0.444 83 A N -1.721 121.193 122.820 0.157 0.000 1.929 83 A HA 0.068 4.394 4.320 0.010 0.000 0.216 83 A C 2.020 179.667 177.584 0.105 0.000 1.176 83 A CA 1.407 53.514 52.037 0.118 0.000 0.628 83 A CB -0.660 18.392 19.000 0.087 0.000 0.816 83 A HN 0.598 nan 8.150 nan 0.000 0.444 84 F N 1.188 121.151 119.950 0.021 0.000 2.095 84 F HA -0.156 4.377 4.527 0.010 0.000 0.298 84 F C 2.563 178.365 175.800 0.003 0.000 1.104 84 F CA 1.295 59.334 58.000 0.065 0.000 1.232 84 F CB -0.528 38.553 39.000 0.136 0.000 0.987 84 F HN 0.253 nan 8.300 nan 0.000 0.475 85 A N 0.309 123.213 122.820 0.140 0.000 1.883 85 A HA -0.122 4.204 4.320 0.010 0.000 0.217 85 A C 2.432 179.840 177.584 -0.294 0.000 1.186 85 A CA 2.082 54.108 52.037 -0.018 0.000 0.624 85 A CB -1.643 17.474 19.000 0.196 0.000 0.822 85 A HN 0.526 nan 8.150 nan 0.000 0.444 86 A N -0.305 122.438 122.820 -0.129 0.000 1.908 86 A HA -0.208 4.118 4.320 0.010 0.000 0.218 86 A C 2.271 179.720 177.584 -0.226 0.000 1.181 86 A CA 1.673 53.635 52.037 -0.125 0.000 0.627 86 A CB -0.508 18.526 19.000 0.057 0.000 0.818 86 A HN 0.565 nan 8.150 nan 0.000 0.445 87 R N -0.721 119.595 120.500 -0.308 0.000 2.073 87 R HA -0.051 4.295 4.340 0.010 0.000 0.234 87 R C 2.058 178.098 176.300 -0.433 0.000 1.134 87 R CA 1.628 57.467 56.100 -0.435 0.000 0.952 87 R CB -0.500 29.282 30.300 -0.863 0.000 0.850 87 R HN 0.593 nan 8.270 nan 0.000 0.433 88 I N -0.315 119.902 120.570 -0.589 0.000 2.252 88 I HA -0.294 3.882 4.170 0.010 0.000 0.245 88 I C 2.710 178.412 176.117 -0.693 0.000 1.102 88 I CA 1.176 61.924 61.300 -0.920 0.000 1.385 88 I CB -0.536 36.692 38.000 -1.286 0.000 1.064 88 I HN 0.297 nan 8.210 nan 0.000 0.414 89 H N 1.162 119.886 119.070 -0.577 0.000 2.387 89 H HA -0.171 4.392 4.556 0.011 0.000 0.299 89 H C 2.424 177.603 175.328 -0.247 0.000 1.099 89 H CA 2.063 57.794 56.048 -0.528 0.000 1.315 89 H CB 0.198 29.325 29.762 -1.059 0.000 1.380 89 H HN 0.399 nan 8.280 nan 0.000 0.513 90 S N 0.333 115.940 115.700 -0.154 0.000 2.368 90 S HA -0.109 4.367 4.470 0.010 0.000 0.225 90 S C 2.458 177.026 174.600 -0.054 0.000 1.030 90 S CA 1.114 59.266 58.200 -0.080 0.000 0.999 90 S CB -0.753 62.409 63.200 -0.062 0.000 0.844 90 S HN 0.386 nan 8.310 nan 0.000 0.459 91 L N -0.731 120.463 121.223 -0.049 0.000 2.072 91 L HA 0.070 4.416 4.340 0.010 0.000 0.205 91 L C 2.413 179.433 176.870 0.250 0.000 1.079 91 L CA 1.065 55.965 54.840 0.101 0.000 0.752 91 L CB -0.523 41.627 42.059 0.153 0.000 0.906 91 L HN 0.237 nan 8.230 nan 0.000 0.436 92 F N 0.147 120.045 119.950 -0.086 0.000 2.407 92 F HA -0.085 4.448 4.527 0.010 0.000 0.299 92 F C 2.515 178.321 175.800 0.011 0.000 1.097 92 F CA 1.202 59.188 58.000 -0.023 0.000 1.422 92 F CB -1.044 37.911 39.000 -0.074 0.000 1.067 92 F HN 0.170 nan 8.300 nan 0.000 0.539 93 T N -3.183 111.414 114.554 0.072 0.000 3.105 93 T HA 0.251 4.607 4.350 0.010 0.000 0.253 93 T C 0.493 175.216 174.700 0.040 0.000 1.047 93 T CA 0.001 62.116 62.100 0.025 0.000 0.944 93 T CB -0.793 67.972 68.868 -0.172 0.000 1.016 93 T HN -0.198 nan 8.240 nan 0.000 0.544 94 V N 3.994 123.931 119.914 0.039 0.000 2.540 94 V HA 0.184 4.310 4.120 0.010 0.000 0.297 94 V C -2.026 174.081 176.094 0.021 0.000 1.024 94 V CA -1.443 60.864 62.300 0.011 0.000 1.105 94 V CB 0.345 32.190 31.823 0.037 0.000 0.938 94 V HN 0.307 nan 8.190 nan 0.000 0.482 95 P HA 0.104 nan 4.420 nan 0.000 0.267 95 P C 0.126 177.439 177.300 0.021 0.000 1.200 95 P CA -0.113 62.995 63.100 0.013 0.000 0.772 95 P CB 0.172 31.843 31.700 -0.049 0.000 0.855 96 K N -1.710 118.709 120.400 0.031 0.000 3.129 96 K HA -0.117 4.209 4.320 0.010 0.000 0.273 96 K C -0.537 176.044 176.600 -0.033 0.000 1.123 96 K CA 0.610 56.894 56.287 -0.006 0.000 0.800 96 K CB -2.477 30.016 32.500 -0.011 0.000 1.238 96 K HN 0.487 nan 8.250 nan 0.000 0.492 97 T N 0.660 115.206 114.554 -0.012 0.000 2.767 97 T HA 0.239 4.595 4.350 0.010 0.000 0.288 97 T C -0.045 174.624 174.700 -0.052 0.000 0.963 97 T CA -0.544 61.542 62.100 -0.023 0.000 1.019 97 T CB 1.257 70.144 68.868 0.032 0.000 0.923 97 T HN 0.366 nan 8.240 nan 0.000 0.468 98 C N 6.320 125.552 119.300 -0.114 0.000 2.281 98 C HA 0.558 5.024 4.460 0.010 0.000 0.336 98 C C 0.042 175.067 174.990 0.059 0.000 1.217 98 C CA -1.003 57.991 59.018 -0.039 0.000 1.730 98 C CB -2.341 25.346 27.740 -0.089 0.000 2.338 98 C HN 0.747 nan 8.230 nan 0.000 0.521 99 I N 8.297 128.887 120.570 0.034 0.000 2.325 99 I HA 0.460 4.636 4.170 0.010 0.000 0.291 99 I C 0.316 176.509 176.117 0.126 0.000 1.019 99 I CA 0.549 61.828 61.300 -0.035 0.000 1.302 99 I CB 0.600 38.422 38.000 -0.295 0.000 1.401 99 I HN 0.670 nan 8.210 nan 0.000 0.485 100 L N 3.690 125.003 121.223 0.150 0.000 2.479 100 L HA 1.106 5.452 4.340 0.010 0.000 0.255 100 L C -0.363 176.562 176.870 0.092 0.000 1.026 100 L CA -0.553 54.375 54.840 0.146 0.000 0.842 100 L CB 2.073 44.189 42.059 0.094 0.000 1.444 100 L HN 0.611 nan 8.230 nan 0.000 0.409 101 G N -0.267 108.551 108.800 0.030 0.000 2.793 101 G HA2 0.398 4.364 3.960 0.010 0.000 0.248 101 G HA3 0.398 4.364 3.960 0.010 0.000 0.248 101 G C -2.499 172.445 174.900 0.072 0.000 1.198 101 G CA -0.444 44.645 45.100 -0.019 0.000 0.865 101 G HN 0.658 nan 8.290 nan 0.000 0.534 102 Y N 1.216 121.486 120.300 -0.051 0.000 2.363 102 Y HA 0.466 5.022 4.550 0.010 0.000 0.325 102 Y C 0.614 176.516 175.900 0.004 0.000 0.984 102 Y CA -0.290 57.794 58.100 -0.027 0.000 1.248 102 Y CB 1.265 39.710 38.460 -0.025 0.000 1.116 102 Y HN 0.667 nan 8.280 nan 0.000 0.470 103 N N 2.490 121.050 118.700 -0.233 0.000 2.829 103 N HA -0.270 4.476 4.740 0.010 0.000 0.250 103 N C 0.572 176.129 175.510 0.078 0.000 1.090 103 N CA 1.250 54.254 53.050 -0.076 0.000 0.781 103 N CB -1.077 37.406 38.487 -0.006 0.000 1.124 103 N HN 0.859 nan 8.380 nan 0.000 0.559 104 N N -0.832 117.910 118.700 0.070 0.000 2.244 104 N HA -0.084 4.662 4.740 0.010 0.000 0.183 104 N C 1.543 177.160 175.510 0.178 0.000 1.016 104 N CA 1.662 54.805 53.050 0.155 0.000 0.866 104 N CB -0.635 37.941 38.487 0.149 0.000 0.980 104 N HN 0.187 nan 8.380 nan 0.000 0.430 105 V N 1.462 121.448 119.914 0.121 0.000 2.332 105 V HA -0.163 3.963 4.120 0.010 0.000 0.248 105 V C 2.670 178.825 176.094 0.103 0.000 1.055 105 V CA 1.611 63.980 62.300 0.115 0.000 1.038 105 V CB -0.396 31.468 31.823 0.069 0.000 0.651 105 V HN 0.298 nan 8.190 nan 0.000 0.450 106 R N -2.192 118.364 120.500 0.094 0.000 2.140 106 R HA 0.110 4.456 4.340 0.010 0.000 0.213 106 R C 1.797 178.210 176.300 0.187 0.000 1.059 106 R CA 0.996 57.156 56.100 0.100 0.000 1.000 106 R CB -0.334 30.005 30.300 0.065 0.000 0.910 106 R HN 0.558 nan 8.270 nan 0.000 0.455 107 F N 0.872 120.847 119.950 0.042 0.000 2.515 107 F HA 0.124 4.657 4.527 0.011 0.000 0.267 107 F C 1.094 176.944 175.800 0.083 0.000 0.923 107 F CA 0.506 58.534 58.000 0.047 0.000 1.107 107 F CB -0.248 38.776 39.000 0.040 0.000 1.175 107 F HN -0.165 nan 8.300 nan 0.000 0.742 108 D N 0.638 121.081 120.400 0.072 0.000 2.123 108 D HA -0.185 4.461 4.640 0.010 0.000 0.196 108 D C 1.515 177.896 176.300 0.136 0.000 0.992 108 D CA 1.784 55.835 54.000 0.085 0.000 0.833 108 D CB -0.283 40.760 40.800 0.405 0.000 0.954 108 D HN 0.259 nan 8.370 nan 0.000 0.455 109 D N 0.296 120.832 120.400 0.226 0.000 2.178 109 D HA -0.111 4.535 4.640 0.010 0.000 0.201 109 D C 1.894 178.278 176.300 0.140 0.000 0.980 109 D CA 0.709 54.885 54.000 0.294 0.000 0.842 109 D CB -0.095 40.935 40.800 0.384 0.000 0.948 109 D HN 0.207 nan 8.370 nan 0.000 0.472 110 E N 0.285 120.497 120.200 0.020 0.000 2.107 110 E HA -0.058 4.298 4.350 0.010 0.000 0.191 110 E C 2.441 178.927 176.600 -0.190 0.000 0.982 110 E CA 0.186 56.566 56.400 -0.033 0.000 0.809 110 E CB -0.216 29.475 29.700 -0.015 0.000 0.756 110 E HN 0.163 nan 8.360 nan 0.000 0.459 111 V N 1.509 121.182 119.914 -0.402 0.000 2.255 111 V HA -0.272 3.855 4.120 0.010 0.000 0.247 111 V C 2.395 178.199 176.094 -0.484 0.000 1.051 111 V CA 2.249 64.213 62.300 -0.560 0.000 1.018 111 V CB -1.032 30.176 31.823 -1.025 0.000 0.641 111 V HN 0.275 nan 8.190 nan 0.000 0.445 112 T N -0.266 114.026 114.554 -0.437 0.000 2.635 112 T HA -0.262 4.094 4.350 0.010 0.000 0.267 112 T C 2.056 176.359 174.700 -0.662 0.000 1.040 112 T CA 1.920 63.654 62.100 -0.610 0.000 1.156 112 T CB -0.317 68.205 68.868 -0.576 0.000 0.863 112 T HN 0.408 nan 8.240 nan 0.000 0.430 113 R N 0.938 121.276 120.500 -0.269 0.000 2.103 113 R HA -0.067 4.279 4.340 0.010 0.000 0.242 113 R C 2.526 178.768 176.300 -0.097 0.000 1.142 113 R CA 1.437 57.469 56.100 -0.113 0.000 0.960 113 R CB -0.275 30.004 30.300 -0.035 0.000 0.858 113 R HN 0.409 nan 8.270 nan 0.000 0.439 114 N N 0.566 119.194 118.700 -0.120 0.000 2.171 114 N HA -0.088 4.658 4.740 0.010 0.000 0.184 114 N C 1.939 177.485 175.510 0.061 0.000 1.021 114 N CA 1.099 54.142 53.050 -0.012 0.000 0.854 114 N CB -0.048 38.413 38.487 -0.043 0.000 0.994 114 N HN 0.194 nan 8.380 nan 0.000 0.426 115 I N 0.756 121.298 120.570 -0.047 0.000 2.208 115 I HA -0.272 3.905 4.170 0.010 0.000 0.245 115 I C 1.890 178.152 176.117 0.242 0.000 1.097 115 I CA 1.065 62.396 61.300 0.050 0.000 1.363 115 I CB -0.265 37.728 38.000 -0.012 0.000 1.051 115 I HN -0.022 nan 8.210 nan 0.000 0.413 116 F N 0.185 120.145 119.950 0.017 0.000 2.113 116 F HA -0.233 4.300 4.527 0.010 0.000 0.297 116 F C 2.567 178.422 175.800 0.090 0.000 1.103 116 F CA 0.968 59.020 58.000 0.086 0.000 1.248 116 F CB -1.651 37.391 39.000 0.071 0.000 0.999 116 F HN 0.097 nan 8.300 nan 0.000 0.475 117 Y N 1.500 121.867 120.300 0.111 0.000 2.081 117 Y HA -0.273 4.282 4.550 0.010 0.000 0.280 117 Y C 2.548 178.342 175.900 -0.176 0.000 1.163 117 Y CA 1.956 60.027 58.100 -0.049 0.000 1.135 117 Y CB -0.535 37.882 38.460 -0.071 0.000 0.970 117 Y HN -0.065 nan 8.280 nan 0.000 0.498 118 R N -0.101 120.285 120.500 -0.191 0.000 2.148 118 R HA -0.070 4.276 4.340 0.010 0.000 0.227 118 R C 0.680 176.858 176.300 -0.205 0.000 1.103 118 R CA 1.236 57.158 56.100 -0.295 0.000 0.983 118 R CB -0.215 30.058 30.300 -0.045 0.000 0.874 118 R HN 0.460 nan 8.270 nan 0.000 0.451 119 N N -0.147 118.532 118.700 -0.035 0.000 2.282 119 N HA 0.086 4.832 4.740 0.010 0.000 0.240 119 N C -0.695 174.799 175.510 -0.026 0.000 1.182 119 N CA 0.000 53.135 53.050 0.142 0.000 0.874 119 N CB 0.676 39.414 38.487 0.420 0.000 1.126 119 N HN 0.034 nan 8.380 nan 0.000 0.516 120 F N -0.441 119.282 119.950 -0.378 0.000 3.018 120 F HA -0.287 4.245 4.527 0.008 0.000 0.287 120 F C -0.508 174.987 175.800 -0.510 0.000 0.813 120 F CA 0.291 57.995 58.000 -0.492 0.000 1.209 120 F CB -2.537 36.063 39.000 -0.667 0.000 1.321 120 F HN 0.116 nan 8.300 nan 0.000 0.477 121 Y N -0.155 120.050 120.300 -0.159 0.000 2.376 121 Y HA 0.346 4.903 4.550 0.011 0.000 0.325 121 Y C 0.827 176.693 175.900 -0.056 0.000 1.199 121 Y CA -1.222 56.731 58.100 -0.245 0.000 1.206 121 Y CB 0.448 38.541 38.460 -0.611 0.000 1.229 121 Y HN -0.053 nan 8.280 nan 0.000 0.480 122 D N 3.268 123.768 120.400 0.168 0.000 2.472 122 D HA 0.001 4.647 4.640 0.010 0.000 0.248 122 D C -1.917 174.635 176.300 0.419 0.000 1.174 122 D CA -0.924 53.246 54.000 0.283 0.000 0.883 122 D CB 1.383 42.354 40.800 0.285 0.000 1.149 122 D HN 0.311 nan 8.370 nan 0.000 0.488 123 P HA -0.000 nan 4.420 nan 0.000 0.236 123 P C 0.008 177.436 177.300 0.215 0.000 1.177 123 P CA 0.818 64.031 63.100 0.189 0.000 0.773 123 P CB 0.164 31.648 31.700 -0.360 0.000 0.878 124 Y N -1.802 118.830 120.300 0.554 0.000 2.585 124 Y HA 0.404 4.960 4.550 0.009 0.000 0.272 124 Y C 2.436 178.364 175.900 0.047 0.000 1.119 124 Y CA 0.182 58.464 58.100 0.303 0.000 1.255 124 Y CB -1.139 37.534 38.460 0.355 0.000 1.284 124 Y HN -0.205 nan 8.280 nan 0.000 0.499 125 A N 2.042 125.021 122.820 0.264 0.000 1.940 125 A HA -0.194 4.132 4.320 0.010 0.000 0.219 125 A C 1.941 179.250 177.584 -0.458 0.000 1.176 125 A CA 1.792 53.691 52.037 -0.229 0.000 0.631 125 A CB -1.414 17.512 19.000 -0.122 0.000 0.814 125 A HN 0.767 nan 8.150 nan 0.000 0.446 126 W N 1.038 122.318 121.300 -0.034 0.000 2.331 126 W HA -0.228 4.437 4.660 0.009 0.000 0.291 126 W C 1.781 178.275 176.519 -0.043 0.000 1.214 126 W CA 1.689 59.028 57.345 -0.012 0.000 1.228 126 W CB -1.608 28.005 29.460 0.256 0.000 1.135 126 W HN 0.554 nan 8.180 nan 0.000 0.537 127 S N -0.295 114.919 115.700 -0.811 0.000 2.527 127 S HA -0.081 4.395 4.470 0.010 0.000 0.222 127 S C 1.550 176.022 174.600 -0.214 0.000 0.985 127 S CA 0.901 58.653 58.200 -0.747 0.000 0.921 127 S CB -1.269 61.221 63.200 -1.184 0.000 0.772 127 S HN 0.658 nan 8.310 nan 0.000 0.529 128 W N -0.097 121.060 121.300 -0.238 0.000 2.977 128 W HA 0.424 5.089 4.660 0.009 0.000 0.236 128 W C 0.047 176.485 176.519 -0.134 0.000 1.053 128 W CA -0.557 56.689 57.345 -0.164 0.000 1.375 128 W CB -0.260 29.107 29.460 -0.155 0.000 0.814 128 W HN 0.129 nan 8.180 nan 0.000 0.713 129 Q N 1.550 120.868 119.800 -0.803 0.000 2.432 129 Q HA -0.005 4.341 4.340 0.010 0.000 0.264 129 Q C -0.259 175.468 176.000 -0.455 0.000 1.035 129 Q CA 0.986 56.273 55.803 -0.861 0.000 0.908 129 Q CB 0.076 28.064 28.738 -1.249 0.000 1.280 129 Q HN 0.310 nan 8.270 nan 0.000 0.455 130 H N 0.838 119.852 119.070 -0.094 0.000 2.791 130 H HA -0.197 4.365 4.556 0.010 0.000 0.302 130 H C -0.779 174.535 175.328 -0.023 0.000 1.198 130 H CA 0.249 56.270 56.048 -0.044 0.000 1.145 130 H CB -1.470 28.260 29.762 -0.054 0.000 1.385 130 H HN 0.805 nan 8.280 nan 0.000 0.409 131 D N -2.263 118.176 120.400 0.065 0.000 3.012 131 D HA -0.162 4.485 4.640 0.010 0.000 0.222 131 D C -0.036 176.272 176.300 0.012 0.000 1.167 131 D CA 1.130 55.153 54.000 0.038 0.000 0.854 131 D CB -1.184 39.631 40.800 0.024 0.000 1.107 131 D HN 0.574 nan 8.370 nan 0.000 0.421 132 N N 0.196 118.903 118.700 0.012 0.000 2.399 132 N HA 0.495 5.241 4.740 0.010 0.000 0.250 132 N C 0.532 176.027 175.510 -0.025 0.000 1.272 132 N CA 0.305 53.350 53.050 -0.009 0.000 0.928 132 N CB 0.948 39.433 38.487 -0.004 0.000 1.158 132 N HN 0.321 nan 8.380 nan 0.000 0.463 133 S N -1.288 114.385 115.700 -0.045 0.000 2.688 133 S HA 0.769 5.245 4.470 0.010 0.000 0.275 133 S C -1.085 173.503 174.600 -0.020 0.000 1.175 133 S CA -1.095 57.069 58.200 -0.060 0.000 0.818 133 S CB 2.087 65.213 63.200 -0.123 0.000 1.157 133 S HN 0.716 nan 8.310 nan 0.000 0.482 134 R N -0.671 119.834 120.500 0.008 0.000 2.854 134 R HA 0.866 5.212 4.340 0.010 0.000 0.271 134 R C -1.838 174.611 176.300 0.248 0.000 0.994 134 R CA -0.703 55.468 56.100 0.118 0.000 0.945 134 R CB 1.150 31.506 30.300 0.093 0.000 1.194 134 R HN 0.647 nan 8.270 nan 0.000 0.476 135 W N 0.542 121.893 121.300 0.085 0.000 3.025 135 W HA 0.461 5.127 4.660 0.010 0.000 0.343 135 W C -1.828 174.741 176.519 0.082 0.000 1.246 135 W CA -0.656 56.746 57.345 0.096 0.000 1.178 135 W CB 2.240 31.812 29.460 0.187 0.000 1.463 135 W HN 0.731 nan 8.180 nan 0.000 0.578 136 D N 2.400 122.757 120.400 -0.072 0.000 2.764 136 D HA 0.172 4.818 4.640 0.010 0.000 0.227 136 D C 0.321 176.354 176.300 -0.445 0.000 1.347 136 D CA -0.318 53.571 54.000 -0.184 0.000 0.953 136 D CB 1.649 42.400 40.800 -0.082 0.000 1.476 136 D HN 0.223 nan 8.370 nan 0.000 0.585 137 L N 3.379 124.381 121.223 -0.368 0.000 2.362 137 L HA -0.070 4.276 4.340 0.010 0.000 0.219 137 L C 2.136 178.814 176.870 -0.320 0.000 1.134 137 L CA 0.653 55.306 54.840 -0.312 0.000 0.807 137 L CB -0.815 41.256 42.059 0.021 0.000 0.927 137 L HN 0.522 nan 8.230 nan 0.000 0.447 138 L N 0.247 121.060 121.223 -0.683 0.000 1.994 138 L HA -0.197 4.149 4.340 0.010 0.000 0.208 138 L C 1.982 178.632 176.870 -0.367 0.000 1.071 138 L CA 1.941 56.299 54.840 -0.803 0.000 0.745 138 L CB -0.667 40.873 42.059 -0.866 0.000 0.892 138 L HN 0.152 nan 8.230 nan 0.000 0.431 139 D N -1.017 119.206 120.400 -0.296 0.000 2.269 139 D HA -0.089 4.557 4.640 0.010 0.000 0.208 139 D C 2.326 178.552 176.300 -0.125 0.000 0.963 139 D CA 1.131 55.006 54.000 -0.208 0.000 0.864 139 D CB -0.007 40.711 40.800 -0.137 0.000 0.936 139 D HN 0.283 nan 8.370 nan 0.000 0.505 140 V N 0.971 120.806 119.914 -0.131 0.000 2.295 140 V HA -0.252 3.874 4.120 0.010 0.000 0.246 140 V C 2.417 178.576 176.094 0.108 0.000 1.049 140 V CA 1.184 63.472 62.300 -0.019 0.000 1.024 140 V CB -0.313 31.417 31.823 -0.155 0.000 0.648 140 V HN 0.194 nan 8.190 nan 0.000 0.447 141 M N -0.346 119.342 119.600 0.147 0.000 2.117 141 M HA -0.140 4.346 4.480 0.010 0.000 0.262 141 M C 2.270 178.731 176.300 0.268 0.000 1.065 141 M CA 1.639 57.175 55.300 0.394 0.000 1.114 141 M CB -1.397 31.544 32.600 0.568 0.000 1.361 141 M HN 0.277 nan 8.290 nan 0.000 0.408 142 R N -0.104 120.299 120.500 -0.163 0.000 2.081 142 R HA -0.077 4.269 4.340 0.010 0.000 0.235 142 R C 2.328 178.515 176.300 -0.188 0.000 1.131 142 R CA 1.570 57.358 56.100 -0.520 0.000 0.960 142 R CB -0.608 29.291 30.300 -0.668 0.000 0.856 142 R HN 0.420 nan 8.270 nan 0.000 0.436 143 A N 0.432 123.204 122.820 -0.080 0.000 1.902 143 A HA -0.221 4.105 4.320 0.010 0.000 0.217 143 A C 2.391 179.989 177.584 0.023 0.000 1.181 143 A CA 1.517 53.544 52.037 -0.017 0.000 0.623 143 A CB -1.021 18.011 19.000 0.054 0.000 0.818 143 A HN 0.520 nan 8.150 nan 0.000 0.443 144 C N -1.978 117.397 119.300 0.126 0.000 2.432 144 C HA -0.122 4.344 4.460 0.010 0.000 0.277 144 C C 2.476 177.453 174.990 -0.023 0.000 1.249 144 C CA 1.213 60.355 59.018 0.207 0.000 1.725 144 C CB -1.387 26.658 27.740 0.508 0.000 2.028 144 C HN 0.725 nan 8.230 nan 0.000 0.477 145 Y N 1.723 121.709 120.300 -0.523 0.000 2.165 145 Y HA -0.134 4.422 4.550 0.010 0.000 0.286 145 Y C 2.311 177.912 175.900 -0.498 0.000 1.155 145 Y CA 2.113 59.573 58.100 -1.066 0.000 1.164 145 Y CB -0.594 37.284 38.460 -0.969 0.000 0.978 145 Y HN 0.309 nan 8.280 nan 0.000 0.513 146 A N -0.330 122.309 122.820 -0.303 0.000 1.897 146 A HA -0.016 4.310 4.320 0.010 0.000 0.215 146 A C 2.124 179.535 177.584 -0.288 0.000 1.181 146 A CA 1.751 53.602 52.037 -0.309 0.000 0.620 146 A CB -0.702 18.191 19.000 -0.180 0.000 0.821 146 A HN 0.522 nan 8.150 nan 0.000 0.443 147 L N -2.482 118.629 121.223 -0.186 0.000 2.500 147 L HA 0.246 4.592 4.340 0.010 0.000 0.219 147 L C 0.547 177.369 176.870 -0.079 0.000 1.057 147 L CA 0.096 54.860 54.840 -0.127 0.000 0.854 147 L CB 0.218 42.227 42.059 -0.083 0.000 1.078 147 L HN 0.063 nan 8.230 nan 0.000 0.480 148 R N 0.285 120.763 120.500 -0.036 0.000 2.684 148 R HA 0.213 4.560 4.340 0.010 0.000 0.252 148 R C -2.218 174.150 176.300 0.115 0.000 1.628 148 R CA -1.033 55.090 56.100 0.039 0.000 1.622 148 R CB 0.460 30.813 30.300 0.088 0.000 1.418 148 R HN -0.036 nan 8.270 nan 0.000 0.697 149 P HA -0.071 nan 4.420 nan 0.000 0.236 149 P C 0.297 177.839 177.300 0.404 0.000 1.177 149 P CA 0.262 63.508 63.100 0.243 0.000 0.773 149 P CB 0.565 32.199 31.700 -0.110 0.000 0.878 150 E N 0.826 121.148 120.200 0.204 0.000 2.480 150 E HA 0.167 4.523 4.350 0.010 0.000 0.258 150 E C 0.946 177.630 176.600 0.141 0.000 0.984 150 E CA 0.879 57.370 56.400 0.150 0.000 0.930 150 E CB -0.520 29.234 29.700 0.090 0.000 0.936 150 E HN 0.250 nan 8.360 nan 0.000 0.466 151 G N 4.048 112.902 108.800 0.090 0.000 2.194 151 G HA2 -0.243 3.724 3.960 0.010 0.000 0.236 151 G HA3 -0.243 3.724 3.960 0.010 0.000 0.236 151 G C 0.171 175.043 174.900 -0.047 0.000 0.987 151 G CA 0.138 45.254 45.100 0.026 0.000 0.635 151 G HN 0.540 nan 8.290 nan 0.000 0.520 152 I N 0.778 121.295 120.570 -0.088 0.000 2.474 152 I HA 0.341 4.517 4.170 0.010 0.000 0.294 152 I C -0.225 175.515 176.117 -0.629 0.000 1.005 152 I CA -1.126 59.924 61.300 -0.416 0.000 1.113 152 I CB 1.775 39.384 38.000 -0.651 0.000 1.289 152 I HN 0.031 nan 8.210 nan 0.000 0.436 153 N N 5.106 123.475 118.700 -0.552 0.000 2.458 153 N HA 0.191 4.937 4.740 0.010 0.000 0.270 153 N C -1.706 173.480 175.510 -0.541 0.000 1.102 153 N CA -0.103 52.711 53.050 -0.393 0.000 0.967 153 N CB 0.466 38.825 38.487 -0.213 0.000 1.078 153 N HN 0.329 nan 8.380 nan 0.000 0.471 154 W N 5.793 127.110 121.300 0.029 0.000 2.282 154 W HA 0.374 5.040 4.660 0.010 0.000 0.322 154 W C -1.661 174.808 176.519 -0.084 0.000 1.011 154 W CA -1.615 55.727 57.345 -0.004 0.000 1.392 154 W CB 0.969 30.530 29.460 0.168 0.000 1.215 154 W HN 0.402 nan 8.180 nan 0.000 0.394 155 P HA 0.112 nan 4.420 nan 0.000 0.271 155 P C -0.476 176.768 177.300 -0.092 0.000 1.218 155 P CA 0.079 63.146 63.100 -0.055 0.000 0.780 155 P CB 1.382 33.028 31.700 -0.090 0.000 0.901 156 E N 1.398 121.544 120.200 -0.091 0.000 2.204 156 E HA 0.162 4.519 4.350 0.010 0.000 0.276 156 E C 0.301 176.823 176.600 -0.129 0.000 0.974 156 E CA -0.721 55.625 56.400 -0.091 0.000 0.815 156 E CB 0.966 30.640 29.700 -0.044 0.000 1.119 156 E HN 0.504 nan 8.360 nan 0.000 0.393 157 N N 1.395 120.041 118.700 -0.089 0.000 2.327 157 N HA -0.004 4.742 4.740 0.010 0.000 0.257 157 N C 0.191 175.671 175.510 -0.049 0.000 1.281 157 N CA -0.249 52.757 53.050 -0.074 0.000 0.942 157 N CB 0.378 38.883 38.487 0.031 0.000 1.199 157 N HN 0.243 nan 8.380 nan 0.000 0.532 158 D N -1.352 119.031 120.400 -0.028 0.000 2.351 158 D HA -0.078 4.568 4.640 0.010 0.000 0.216 158 D C 0.056 176.354 176.300 -0.003 0.000 0.968 158 D CA 0.929 54.919 54.000 -0.017 0.000 0.899 158 D CB -0.178 40.620 40.800 -0.004 0.000 0.907 158 D HN 0.506 nan 8.370 nan 0.000 0.514 159 D N -0.959 119.446 120.400 0.009 0.000 2.350 159 D HA 0.148 4.794 4.640 0.010 0.000 0.213 159 D C 1.516 177.827 176.300 0.018 0.000 1.031 159 D CA 0.565 54.575 54.000 0.017 0.000 0.861 159 D CB 0.574 41.392 40.800 0.030 0.000 0.926 159 D HN 0.223 nan 8.370 nan 0.000 0.520 160 G N 0.699 109.504 108.800 0.009 0.000 2.132 160 G HA2 -0.247 3.720 3.960 0.010 0.000 0.234 160 G HA3 -0.247 3.720 3.960 0.010 0.000 0.234 160 G C 0.043 174.958 174.900 0.025 0.000 0.989 160 G CA -0.114 44.993 45.100 0.013 0.000 0.676 160 G HN 0.290 nan 8.290 nan 0.000 0.522 161 L N 1.150 122.386 121.223 0.022 0.000 2.334 161 L HA 0.573 4.919 4.340 0.010 0.000 0.272 161 L C -1.789 175.052 176.870 -0.048 0.000 1.020 161 L CA -2.717 52.139 54.840 0.027 0.000 0.812 161 L CB 1.772 43.872 42.059 0.068 0.000 1.264 161 L HN -0.132 nan 8.230 nan 0.000 0.439 162 P HA -0.009 nan 4.420 nan 0.000 0.267 162 P C -0.748 176.307 177.300 -0.409 0.000 1.205 162 P CA 0.021 62.894 63.100 -0.379 0.000 0.765 162 P CB 1.151 32.373 31.700 -0.796 0.000 0.828 163 S N 2.130 117.558 115.700 -0.452 0.000 2.525 163 S HA 0.559 5.035 4.470 0.010 0.000 0.290 163 S C -0.305 173.944 174.600 -0.585 0.000 1.152 163 S CA -0.584 57.458 58.200 -0.265 0.000 1.072 163 S CB -0.065 63.181 63.200 0.077 0.000 1.027 163 S HN 0.247 nan 8.310 nan 0.000 0.500 164 F N 1.984 121.999 119.950 0.109 0.000 2.735 164 F HA 0.416 4.949 4.527 0.010 0.000 0.308 164 F C 0.957 176.877 175.800 0.200 0.000 1.112 164 F CA -0.632 57.470 58.000 0.170 0.000 1.235 164 F CB 0.351 39.425 39.000 0.124 0.000 1.027 164 F HN 0.292 nan 8.300 nan 0.000 0.528 165 R N 1.162 121.757 120.500 0.157 0.000 2.522 165 R HA 0.055 4.402 4.340 0.010 0.000 0.284 165 R C 1.400 177.660 176.300 -0.066 0.000 1.032 165 R CA -0.270 55.824 56.100 -0.009 0.000 1.049 165 R CB 0.604 30.686 30.300 -0.364 0.000 0.956 165 R HN 0.205 nan 8.270 nan 0.000 0.422 166 L N 4.174 125.304 121.223 -0.154 0.000 2.043 166 L HA -0.253 4.093 4.340 0.010 0.000 0.212 166 L C 2.223 179.025 176.870 -0.113 0.000 1.075 166 L CA 1.925 56.542 54.840 -0.373 0.000 0.752 166 L CB -0.438 41.302 42.059 -0.532 0.000 0.891 166 L HN 0.724 nan 8.230 nan 0.000 0.432 167 E N -1.564 118.593 120.200 -0.071 0.000 2.153 167 E HA -0.277 4.079 4.350 0.010 0.000 0.194 167 E C 1.998 178.626 176.600 0.046 0.000 0.988 167 E CA 2.005 58.386 56.400 -0.031 0.000 0.811 167 E CB -0.889 28.693 29.700 -0.195 0.000 0.746 167 E HN 0.727 nan 8.360 nan 0.000 0.466 168 H N 0.686 119.733 119.070 -0.038 0.000 2.363 168 H HA 0.103 4.665 4.556 0.010 0.000 0.301 168 H C 2.436 177.724 175.328 -0.067 0.000 1.074 168 H CA 0.904 56.921 56.048 -0.053 0.000 1.354 168 H CB 0.162 29.890 29.762 -0.058 0.000 1.397 168 H HN 0.041 nan 8.280 nan 0.000 0.516 169 L N 0.525 121.780 121.223 0.053 0.000 2.093 169 L HA -0.149 4.197 4.340 0.010 0.000 0.208 169 L C 2.845 179.672 176.870 -0.073 0.000 1.085 169 L CA 1.502 56.322 54.840 -0.034 0.000 0.755 169 L CB -0.532 41.516 42.059 -0.019 0.000 0.904 169 L HN 0.480 nan 8.230 nan 0.000 0.435 170 T N -2.322 112.205 114.554 -0.044 0.000 2.674 170 T HA -0.268 4.088 4.350 0.010 0.000 0.265 170 T C 1.890 176.573 174.700 -0.028 0.000 1.039 170 T CA 1.262 63.334 62.100 -0.046 0.000 1.150 170 T CB -0.292 68.584 68.868 0.013 0.000 0.864 170 T HN 0.182 nan 8.240 nan 0.000 0.427 171 K N 1.620 122.025 120.400 0.008 0.000 2.063 171 K HA -0.017 4.309 4.320 0.010 0.000 0.208 171 K C 2.574 179.149 176.600 -0.042 0.000 1.048 171 K CA 1.334 57.615 56.287 -0.010 0.000 0.928 171 K CB -0.619 31.886 32.500 0.007 0.000 0.713 171 K HN 0.433 nan 8.250 nan 0.000 0.442 172 A N 0.939 123.725 122.820 -0.056 0.000 2.067 172 A HA -0.078 4.248 4.320 0.010 0.000 0.219 172 A C 1.224 178.739 177.584 -0.114 0.000 1.158 172 A CA 1.234 53.219 52.037 -0.087 0.000 0.661 172 A CB -0.125 18.814 19.000 -0.103 0.000 0.801 172 A HN 0.387 nan 8.150 nan 0.000 0.452 173 N N -1.199 117.428 118.700 -0.120 0.000 2.235 173 N HA 0.206 4.953 4.740 0.010 0.000 0.231 173 N C 0.811 176.258 175.510 -0.105 0.000 1.177 173 N CA 0.706 53.674 53.050 -0.137 0.000 0.874 173 N CB 0.852 39.228 38.487 -0.184 0.000 1.097 173 N HN 0.522 nan 8.380 nan 0.000 0.518 174 G N 1.534 110.285 108.800 -0.081 0.000 2.153 174 G HA2 -0.277 3.689 3.960 0.010 0.000 0.252 174 G HA3 -0.277 3.689 3.960 0.010 0.000 0.252 174 G C 0.052 174.911 174.900 -0.068 0.000 0.994 174 G CA -0.105 44.955 45.100 -0.067 0.000 0.698 174 G HN 0.352 nan 8.290 nan 0.000 0.521 175 I N 1.067 121.593 120.570 -0.074 0.000 2.352 175 I HA 0.195 4.371 4.170 0.010 0.000 0.290 175 I C 0.990 177.077 176.117 -0.051 0.000 1.036 175 I CA -0.512 60.738 61.300 -0.084 0.000 1.336 175 I CB 1.165 39.093 38.000 -0.121 0.000 1.407 175 I HN 0.299 nan 8.210 nan 0.000 0.497 176 E N 7.381 127.548 120.200 -0.055 0.000 2.585 176 E HA -0.105 4.252 4.350 0.010 0.000 0.252 176 E C -0.798 175.812 176.600 0.018 0.000 0.981 176 E CA 0.521 56.905 56.400 -0.026 0.000 0.943 176 E CB 0.322 29.990 29.700 -0.055 0.000 0.923 176 E HN 0.579 nan 8.360 nan 0.000 0.486 177 H N 2.969 122.001 119.070 -0.064 0.000 3.018 177 H HA 0.272 4.834 4.556 0.010 0.000 0.334 177 H C -1.327 173.975 175.328 -0.044 0.000 0.983 177 H CA -0.749 55.264 56.048 -0.058 0.000 1.363 177 H CB 1.523 31.241 29.762 -0.073 0.000 1.668 177 H HN 0.457 nan 8.280 nan 0.000 0.513 183 A N 3.722 126.553 122.820 0.019 0.000 2.070 183 A HA -0.083 4.243 4.320 0.010 0.000 0.220 183 A C 1.692 179.225 177.584 -0.084 0.000 1.159 183 A CA 0.861 52.876 52.037 -0.036 0.000 0.656 183 A CB -0.191 18.774 19.000 -0.059 0.000 0.800 183 A HN 0.568 nan 8.150 nan 0.000 0.453 184 M N -0.815 118.751 119.600 -0.058 0.000 2.561 184 M HA 0.183 4.669 4.480 0.010 0.000 0.238 184 M C 2.131 178.370 176.300 -0.101 0.000 1.131 184 M CA 0.650 55.848 55.300 -0.171 0.000 1.046 184 M CB -1.076 31.396 32.600 -0.213 0.000 1.532 184 M HN 0.478 nan 8.290 nan 0.000 0.497 185 A N 1.032 123.869 122.820 0.028 0.000 1.883 185 A HA -0.188 4.138 4.320 0.010 0.000 0.217 185 A C 1.838 179.440 177.584 0.029 0.000 1.186 185 A CA 1.965 54.071 52.037 0.114 0.000 0.624 185 A CB -0.481 18.616 19.000 0.162 0.000 0.822 185 A HN 0.370 nan 8.150 nan 0.000 0.444 186 D N -0.437 119.962 120.400 -0.001 0.000 2.144 186 D HA -0.071 4.575 4.640 0.010 0.000 0.200 186 D C 2.116 178.317 176.300 -0.166 0.000 0.978 186 D CA 1.318 55.283 54.000 -0.058 0.000 0.833 186 D CB -0.444 40.339 40.800 -0.028 0.000 0.961 186 D HN 0.224 nan 8.370 nan 0.000 0.470 187 V N 0.807 120.596 119.914 -0.209 0.000 2.295 187 V HA -0.268 3.858 4.120 0.010 0.000 0.246 187 V C 2.163 178.073 176.094 -0.308 0.000 1.049 187 V CA 1.429 63.572 62.300 -0.262 0.000 1.024 187 V CB -0.670 30.936 31.823 -0.363 0.000 0.648 187 V HN 0.134 nan 8.190 nan 0.000 0.447 188 Y N 0.620 120.786 120.300 -0.224 0.000 2.224 188 Y HA -0.113 4.443 4.550 0.011 0.000 0.289 188 Y C 2.502 178.194 175.900 -0.348 0.000 1.146 188 Y CA 0.901 58.838 58.100 -0.272 0.000 1.182 188 Y CB -1.135 37.208 38.460 -0.196 0.000 0.983 188 Y HN 0.196 nan 8.280 nan 0.000 0.524 189 A N -0.648 122.016 122.820 -0.260 0.000 1.933 189 A HA -0.178 4.148 4.320 0.010 0.000 0.218 189 A C 2.297 179.664 177.584 -0.361 0.000 1.175 189 A CA 2.208 53.974 52.037 -0.452 0.000 0.628 189 A CB -1.119 17.330 19.000 -0.917 0.000 0.814 189 A HN 0.418 nan 8.150 nan 0.000 0.444 190 T N 0.317 114.697 114.554 -0.289 0.000 2.777 190 T HA -0.051 4.306 4.350 0.010 0.000 0.266 190 T C 1.778 176.303 174.700 -0.291 0.000 1.040 190 T CA 1.394 63.392 62.100 -0.170 0.000 1.141 190 T CB -0.392 68.505 68.868 0.048 0.000 0.868 190 T HN 0.438 nan 8.240 nan 0.000 0.444 191 I N 1.528 121.732 120.570 -0.609 0.000 2.208 191 I HA -0.196 3.980 4.170 0.010 0.000 0.245 191 I C 2.922 178.718 176.117 -0.535 0.000 1.097 191 I CA 1.150 61.903 61.300 -0.911 0.000 1.363 191 I CB -0.473 37.007 38.000 -0.867 0.000 1.051 191 I HN 0.198 nan 8.210 nan 0.000 0.413 192 A N 0.542 123.145 122.820 -0.361 0.000 1.933 192 A HA -0.186 4.140 4.320 0.010 0.000 0.218 192 A C 2.360 179.796 177.584 -0.246 0.000 1.175 192 A CA 1.298 53.172 52.037 -0.273 0.000 0.628 192 A CB -0.395 18.466 19.000 -0.233 0.000 0.814 192 A HN 0.261 nan 8.150 nan 0.000 0.444 193 M N -0.306 119.156 119.600 -0.230 0.000 2.108 193 M HA -0.151 4.335 4.480 0.010 0.000 0.261 193 M C 2.537 178.759 176.300 -0.129 0.000 1.066 193 M CA 1.675 56.891 55.300 -0.140 0.000 1.107 193 M CB -1.518 31.041 32.600 -0.068 0.000 1.356 193 M HN 0.494 nan 8.290 nan 0.000 0.406 194 A N 0.404 123.088 122.820 -0.227 0.000 1.877 194 A HA -0.198 4.129 4.320 0.010 0.000 0.216 194 A C 2.261 179.588 177.584 -0.427 0.000 1.186 194 A CA 1.866 53.728 52.037 -0.292 0.000 0.620 194 A CB -0.597 17.965 19.000 -0.730 0.000 0.822 194 A HN 0.489 nan 8.150 nan 0.000 0.443 195 K N -0.925 119.224 120.400 -0.419 0.000 2.097 195 K HA -0.115 4.211 4.320 0.010 0.000 0.206 195 K C 1.917 178.390 176.600 -0.211 0.000 1.049 195 K CA 1.317 57.459 56.287 -0.243 0.000 0.933 195 K CB -0.390 32.010 32.500 -0.168 0.000 0.717 195 K HN 0.380 nan 8.250 nan 0.000 0.442 196 L N 0.942 122.055 121.223 -0.183 0.000 1.989 196 L HA -0.206 4.140 4.340 0.010 0.000 0.211 196 L C 2.064 178.874 176.870 -0.100 0.000 1.071 196 L CA 1.602 56.364 54.840 -0.130 0.000 0.749 196 L CB -0.318 41.669 42.059 -0.120 0.000 0.890 196 L HN -0.083 nan 8.230 nan 0.000 0.431 197 V N -0.427 119.442 119.914 -0.075 0.000 2.358 197 V HA -0.273 3.853 4.120 0.010 0.000 0.246 197 V C 2.566 178.593 176.094 -0.112 0.000 1.047 197 V CA 1.954 64.281 62.300 0.045 0.000 1.035 197 V CB -0.764 31.246 31.823 0.311 0.000 0.658 197 V HN 0.508 nan 8.190 nan 0.000 0.452 198 K N 0.604 120.636 120.400 -0.614 0.000 2.103 198 K HA -0.227 4.099 4.320 0.010 0.000 0.207 198 K C 2.222 178.700 176.600 -0.202 0.000 1.048 198 K CA 2.130 57.989 56.287 -0.714 0.000 0.930 198 K CB -0.235 31.736 32.500 -0.883 0.000 0.716 198 K HN 0.712 nan 8.250 nan 0.000 0.444 199 T N -1.741 112.726 114.554 -0.146 0.000 2.851 199 T HA -0.001 4.355 4.350 0.010 0.000 0.262 199 T C 1.857 176.548 174.700 -0.015 0.000 1.043 199 T CA 0.508 62.572 62.100 -0.061 0.000 1.140 199 T CB -0.113 68.719 68.868 -0.060 0.000 0.872 199 T HN 0.250 nan 8.240 nan 0.000 0.446 200 R N 0.529 121.026 120.500 -0.006 0.000 2.223 200 R HA 0.243 4.589 4.340 0.010 0.000 0.198 200 R C 0.572 176.920 176.300 0.079 0.000 0.984 200 R CA 0.430 56.548 56.100 0.030 0.000 1.018 200 R CB 0.285 30.594 30.300 0.014 0.000 0.945 200 R HN 0.301 nan 8.270 nan 0.000 0.479 201 Q N -0.102 119.766 119.800 0.114 0.000 3.075 201 Q HA 0.210 4.556 4.340 0.010 0.000 0.318 201 Q C -2.277 173.852 176.000 0.215 0.000 0.907 201 Q CA -1.652 54.252 55.803 0.168 0.000 0.882 201 Q CB 1.765 30.633 28.738 0.216 0.000 1.386 201 Q HN 0.024 nan 8.270 nan 0.000 0.408 202 P HA -0.112 nan 4.420 nan 0.000 0.215 202 P C 1.213 178.676 177.300 0.271 0.000 1.157 202 P CA 1.126 64.344 63.100 0.197 0.000 0.863 202 P CB 0.432 32.209 31.700 0.127 0.000 0.787 203 R N -0.897 119.733 120.500 0.217 0.000 2.075 203 R HA -0.030 4.316 4.340 0.010 0.000 0.232 203 R C 2.226 178.694 176.300 0.280 0.000 1.126 203 R CA 0.825 57.059 56.100 0.222 0.000 0.963 203 R CB -1.665 28.728 30.300 0.155 0.000 0.858 203 R HN 0.224 nan 8.270 nan 0.000 0.435 204 L N 0.443 121.828 121.223 0.270 0.000 2.046 204 L HA -0.112 4.234 4.340 0.010 0.000 0.208 204 L C 2.146 179.275 176.870 0.432 0.000 1.077 204 L CA 1.459 56.479 54.840 0.300 0.000 0.747 204 L CB -0.665 41.538 42.059 0.240 0.000 0.896 204 L HN -0.020 nan 8.230 nan 0.000 0.432 205 F N 0.549 120.689 119.950 0.317 0.000 2.095 205 F HA -0.272 4.262 4.527 0.010 0.000 0.298 205 F C 2.333 178.396 175.800 0.440 0.000 1.104 205 F CA 2.174 60.417 58.000 0.406 0.000 1.232 205 F CB -0.422 38.782 39.000 0.341 0.000 0.987 205 F HN 0.301 nan 8.300 nan 0.000 0.475 206 D N -1.277 119.413 120.400 0.485 0.000 2.117 206 D HA -0.281 4.365 4.640 0.010 0.000 0.197 206 D C 2.148 178.628 176.300 0.300 0.000 0.987 206 D CA 1.509 55.727 54.000 0.364 0.000 0.829 206 D CB -0.540 40.452 40.800 0.320 0.000 0.961 206 D HN 0.458 nan 8.370 nan 0.000 0.460 207 Y N 0.666 121.099 120.300 0.221 0.000 2.145 207 Y HA -0.132 4.425 4.550 0.010 0.000 0.286 207 Y C 2.037 178.066 175.900 0.215 0.000 1.145 207 Y CA 1.573 59.793 58.100 0.201 0.000 1.148 207 Y CB -0.290 38.233 38.460 0.106 0.000 0.981 207 Y HN 0.000 nan 8.280 nan 0.000 0.507 208 L N -1.266 120.146 121.223 0.316 0.000 2.056 208 L HA -0.190 4.156 4.340 0.010 0.000 0.207 208 L C 2.326 179.208 176.870 0.020 0.000 1.078 208 L CA 1.393 56.401 54.840 0.280 0.000 0.749 208 L CB -0.781 41.579 42.059 0.502 0.000 0.901 208 L HN 0.288 nan 8.230 nan 0.000 0.433 209 F N 1.491 121.212 119.950 -0.382 0.000 2.075 209 F HA -0.270 4.264 4.527 0.010 0.000 0.297 209 F C 2.790 178.236 175.800 -0.590 0.000 1.113 209 F CA 2.116 59.515 58.000 -1.001 0.000 1.218 209 F CB -0.676 37.825 39.000 -0.832 0.000 0.984 209 F HN 0.165 nan 8.300 nan 0.000 0.472 210 T N -2.577 111.734 114.554 -0.406 0.000 2.788 210 T HA -0.252 4.104 4.350 0.010 0.000 0.268 210 T C 1.461 175.819 174.700 -0.570 0.000 1.044 210 T CA 1.971 63.785 62.100 -0.477 0.000 1.139 210 T CB -0.993 67.731 68.868 -0.241 0.000 0.867 210 T HN 0.444 nan 8.240 nan 0.000 0.454 211 H N 1.173 119.948 119.070 -0.492 0.000 2.536 211 H HA 0.299 4.861 4.556 0.010 0.000 0.276 211 H C 2.217 177.373 175.328 -0.286 0.000 1.019 211 H CA 0.125 55.933 56.048 -0.400 0.000 1.159 211 H CB -0.154 29.296 29.762 -0.519 0.000 1.373 211 H HN 0.540 nan 8.280 nan 0.000 0.584 212 R N 0.021 120.318 120.500 -0.337 0.000 2.189 212 R HA -0.064 4.282 4.340 0.010 0.000 0.223 212 R C 0.414 176.571 176.300 -0.238 0.000 1.092 212 R CA 0.547 56.481 56.100 -0.277 0.000 0.989 212 R CB -0.064 29.932 30.300 -0.507 0.000 0.876 212 R HN 0.131 nan 8.270 nan 0.000 0.457 213 N N 2.148 120.667 118.700 -0.303 0.000 2.488 213 N HA -0.034 4.712 4.740 0.010 0.000 0.274 213 N C 0.459 175.846 175.510 -0.204 0.000 1.111 213 N CA -0.048 52.855 53.050 -0.246 0.000 0.974 213 N CB 1.359 39.689 38.487 -0.261 0.000 1.089 213 N HN 0.390 nan 8.380 nan 0.000 0.465 214 K N 3.348 123.609 120.400 -0.231 0.000 2.147 214 K HA -0.172 4.154 4.320 0.010 0.000 0.205 214 K C 0.883 177.320 176.600 -0.271 0.000 1.049 214 K CA 1.466 57.597 56.287 -0.260 0.000 0.936 214 K CB -0.277 32.015 32.500 -0.345 0.000 0.722 214 K HN 0.611 nan 8.250 nan 0.000 0.446 215 H N 0.600 119.600 119.070 -0.117 0.000 2.428 215 H HA 0.088 4.650 4.556 0.010 0.000 0.296 215 H C 1.737 177.000 175.328 -0.107 0.000 1.062 215 H CA 1.059 57.042 56.048 -0.108 0.000 1.350 215 H CB 0.249 29.937 29.762 -0.123 0.000 1.403 215 H HN 0.109 nan 8.280 nan 0.000 0.533 216 K N 0.708 121.061 120.400 -0.078 0.000 2.097 216 K HA -0.067 4.260 4.320 0.010 0.000 0.205 216 K C 2.151 178.727 176.600 -0.039 0.000 1.050 216 K CA 0.681 56.857 56.287 -0.185 0.000 0.938 216 K CB -0.352 31.824 32.500 -0.540 0.000 0.718 216 K HN 0.326 nan 8.250 nan 0.000 0.442 217 L N 0.469 121.687 121.223 -0.008 0.000 2.046 217 L HA -0.123 4.224 4.340 0.010 0.000 0.208 217 L C 2.648 179.576 176.870 0.096 0.000 1.077 217 L CA 1.089 55.980 54.840 0.084 0.000 0.747 217 L CB -0.418 41.665 42.059 0.040 0.000 0.896 217 L HN 0.151 nan 8.230 nan 0.000 0.432 218 M N -0.668 118.979 119.600 0.079 0.000 2.149 218 M HA -0.222 4.264 4.480 0.010 0.000 0.261 218 M C 2.408 178.780 176.300 0.119 0.000 1.064 218 M CA 1.833 57.210 55.300 0.129 0.000 1.102 218 M CB -0.480 32.167 32.600 0.078 0.000 1.369 218 M HN 0.343 nan 8.290 nan 0.000 0.408 219 A N 0.115 122.990 122.820 0.091 0.000 2.070 219 A HA -0.080 4.246 4.320 0.010 0.000 0.220 219 A C 1.950 179.597 177.584 0.104 0.000 1.159 219 A CA 1.121 53.210 52.037 0.086 0.000 0.656 219 A CB -0.756 18.286 19.000 0.070 0.000 0.800 219 A HN 0.505 nan 8.150 nan 0.000 0.453 220 L N -0.017 121.280 121.223 0.123 0.000 2.418 220 L HA 0.075 4.421 4.340 0.010 0.000 0.218 220 L C -0.062 176.860 176.870 0.088 0.000 1.125 220 L CA -0.084 54.825 54.840 0.115 0.000 0.835 220 L CB -0.256 41.883 42.059 0.132 0.000 0.953 220 L HN 0.225 nan 8.230 nan 0.000 0.454 221 I N 0.792 121.423 120.570 0.102 0.000 2.312 221 I HA 0.163 4.339 4.170 0.010 0.000 0.291 221 I C -0.485 175.699 176.117 0.111 0.000 1.031 221 I CA 0.182 61.541 61.300 0.098 0.000 1.293 221 I CB 0.766 38.868 38.000 0.171 0.000 1.403 221 I HN -0.059 nan 8.210 nan 0.000 0.484 222 D N 6.679 127.121 120.400 0.071 0.000 2.408 222 D HA 0.234 4.880 4.640 0.010 0.000 0.261 222 D C 0.757 177.088 176.300 0.051 0.000 1.190 222 D CA -0.361 53.678 54.000 0.066 0.000 0.910 222 D CB 1.679 42.506 40.800 0.044 0.000 1.097 222 D HN 0.198 nan 8.370 nan 0.000 0.522 223 V N 4.652 124.615 119.914 0.081 0.000 2.307 223 V HA -0.073 4.053 4.120 0.010 0.000 0.245 223 V C -0.805 175.312 176.094 0.039 0.000 1.045 223 V CA 1.247 63.581 62.300 0.058 0.000 1.024 223 V CB -1.078 30.816 31.823 0.118 0.000 0.651 223 V HN 0.452 nan 8.190 nan 0.000 0.449 224 P HA -0.159 nan 4.420 nan 0.000 0.216 224 P C 1.527 178.836 177.300 0.015 0.000 1.150 224 P CA 1.273 64.389 63.100 0.027 0.000 0.843 224 P CB -0.059 31.657 31.700 0.026 0.000 0.787 225 Q N -1.840 117.969 119.800 0.014 0.000 2.425 225 Q HA 0.175 4.521 4.340 0.010 0.000 0.204 225 Q C 0.806 176.804 176.000 -0.003 0.000 0.933 225 Q CA 0.025 55.830 55.803 0.004 0.000 0.939 225 Q CB -0.369 28.372 28.738 0.005 0.000 1.044 225 Q HN 0.346 nan 8.270 nan 0.000 0.513 226 M N 1.367 120.967 119.600 -0.001 0.000 2.206 226 M HA -0.239 4.247 4.480 0.010 0.000 0.197 226 M C -0.012 176.281 176.300 -0.012 0.000 0.375 226 M CA 0.554 55.848 55.300 -0.010 0.000 0.410 226 M CB -1.292 31.300 32.600 -0.013 0.000 1.204 226 M HN 0.039 nan 8.290 nan 0.000 0.932 227 K N 2.870 123.267 120.400 -0.004 0.000 2.412 227 K HA 0.214 4.540 4.320 0.010 0.000 0.284 227 K C -1.980 174.620 176.600 -0.001 0.000 1.046 227 K CA -0.995 55.289 56.287 -0.004 0.000 0.999 227 K CB 0.672 33.178 32.500 0.010 0.000 0.941 227 K HN 0.057 nan 8.250 nan 0.000 0.474 228 P HA 0.099 nan 4.420 nan 0.000 0.275 228 P C -0.937 176.401 177.300 0.063 0.000 1.227 228 P CA -0.041 63.063 63.100 0.007 0.000 0.781 228 P CB 0.823 32.478 31.700 -0.076 0.000 0.906 229 L N 1.619 122.926 121.223 0.139 0.000 2.350 229 L HA 0.476 4.822 4.340 0.010 0.000 0.260 229 L C -0.044 177.014 176.870 0.315 0.000 1.015 229 L CA -1.522 53.429 54.840 0.184 0.000 0.821 229 L CB 2.224 44.350 42.059 0.111 0.000 1.370 229 L HN 0.050 nan 8.230 nan 0.000 0.416 230 V N 0.335 120.411 119.914 0.271 0.000 2.583 230 V HA 0.212 4.339 4.120 0.010 0.000 0.287 230 V C -0.720 175.479 176.094 0.175 0.000 1.051 230 V CA -0.161 62.218 62.300 0.131 0.000 1.010 230 V CB 0.870 32.693 31.823 0.001 0.000 0.988 230 V HN 0.616 nan 8.190 nan 0.000 0.478 231 H N 3.374 122.474 119.070 0.051 0.000 2.689 231 H HA 0.615 5.177 4.556 0.010 0.000 0.346 231 H C -1.205 174.221 175.328 0.164 0.000 1.037 231 H CA -0.599 55.528 56.048 0.131 0.000 1.234 231 H CB 1.833 31.730 29.762 0.226 0.000 1.572 231 H HN 0.359 nan 8.280 nan 0.000 0.524 232 V N 4.578 124.403 119.914 -0.149 0.000 2.370 232 V HA 0.532 4.658 4.120 0.010 0.000 0.283 232 V C -0.136 175.673 176.094 -0.474 0.000 1.023 232 V CA -0.390 61.774 62.300 -0.227 0.000 0.857 232 V CB 1.016 32.754 31.823 -0.141 0.000 0.985 232 V HN 0.814 nan 8.190 nan 0.000 0.443 233 S N 2.956 118.372 115.700 -0.474 0.000 2.543 233 S HA 0.555 5.031 4.470 0.010 0.000 0.271 233 S C 1.112 175.478 174.600 -0.391 0.000 1.148 233 S CA 0.131 57.991 58.200 -0.567 0.000 0.914 233 S CB 1.839 64.459 63.200 -0.966 0.000 1.096 233 S HN 0.960 nan 8.310 nan 0.000 0.471 234 G N 3.045 111.667 108.800 -0.297 0.000 2.475 234 G HA2 -0.199 3.768 3.960 0.010 0.000 0.220 234 G HA3 -0.199 3.768 3.960 0.010 0.000 0.220 234 G C 1.173 175.972 174.900 -0.169 0.000 1.125 234 G CA 0.962 45.937 45.100 -0.209 0.000 0.755 234 G HN 0.717 nan 8.290 nan 0.000 0.565 235 M N -0.470 118.981 119.600 -0.249 0.000 2.358 235 M HA 0.086 4.572 4.480 0.010 0.000 0.264 235 M C 1.790 178.030 176.300 -0.099 0.000 1.064 235 M CA 0.744 55.928 55.300 -0.192 0.000 1.093 235 M CB -0.117 32.326 32.600 -0.261 0.000 1.401 235 M HN 0.201 nan 8.290 nan 0.000 0.440 236 F N 0.362 120.241 119.950 -0.118 0.000 2.367 236 F HA 0.244 4.777 4.527 0.011 0.000 0.298 236 F C 1.615 177.260 175.800 -0.259 0.000 1.094 236 F CA 0.603 58.500 58.000 -0.173 0.000 1.409 236 F CB -0.850 37.987 39.000 -0.271 0.000 1.064 236 F HN 0.196 nan 8.300 nan 0.000 0.528 237 G N -0.552 108.218 108.800 -0.050 0.000 2.907 237 G HA2 0.154 4.120 3.960 0.010 0.000 0.686 237 G HA3 0.154 4.120 3.960 0.010 0.000 0.686 237 G C 0.651 175.401 174.900 -0.249 0.000 1.115 237 G CA -0.543 44.511 45.100 -0.078 0.000 0.760 237 G HN 0.456 nan 8.290 nan 0.000 0.620 238 A N 2.471 125.279 122.820 -0.020 0.000 2.070 238 A HA 0.039 4.365 4.320 0.010 0.000 0.220 238 A C 2.049 179.644 177.584 0.018 0.000 1.159 238 A CA 2.325 54.376 52.037 0.022 0.000 0.656 238 A CB -0.703 18.371 19.000 0.125 0.000 0.800 238 A HN 1.795 nan 8.150 nan 0.000 0.453 239 W N 0.995 122.325 121.300 0.049 0.000 2.421 239 W HA -0.112 4.554 4.660 0.010 0.000 0.270 239 W C 1.047 177.588 176.519 0.035 0.000 1.233 239 W CA 0.898 58.265 57.345 0.038 0.000 1.226 239 W CB -0.509 28.965 29.460 0.024 0.000 1.121 239 W HN 0.517 nan 8.180 nan 0.000 0.579 240 R N 0.318 120.421 120.500 -0.661 0.000 2.700 240 R HA 0.462 4.808 4.340 0.010 0.000 0.399 240 R C 1.065 177.158 176.300 -0.345 0.000 1.115 240 R CA 0.033 55.785 56.100 -0.581 0.000 1.058 240 R CB -0.268 29.366 30.300 -1.109 0.000 1.389 240 R HN -0.016 nan 8.270 nan 0.000 0.582 241 G N 1.924 110.651 108.800 -0.122 0.000 2.283 241 G HA2 -0.363 3.603 3.960 0.010 0.000 0.280 241 G HA3 -0.363 3.603 3.960 0.010 0.000 0.280 241 G C 0.008 174.848 174.900 -0.100 0.000 1.029 241 G CA 0.347 45.487 45.100 0.067 0.000 0.840 241 G HN 0.619 nan 8.290 nan 0.000 0.505 242 N N -1.630 116.949 118.700 -0.202 0.000 2.714 242 N HA -0.173 4.573 4.740 0.010 0.000 0.250 242 N C 0.148 175.627 175.510 -0.053 0.000 1.117 242 N CA 1.937 54.893 53.050 -0.156 0.000 0.719 242 N CB -1.436 36.910 38.487 -0.236 0.000 1.081 242 N HN 0.749 nan 8.380 nan 0.000 0.557 243 T N -0.415 114.028 114.554 -0.185 0.000 2.893 243 T HA 0.615 4.971 4.350 0.010 0.000 0.293 243 T C -0.378 173.974 174.700 -0.580 0.000 1.027 243 T CA -0.383 61.561 62.100 -0.259 0.000 0.988 243 T CB 3.049 71.735 68.868 -0.304 0.000 1.043 243 T HN 0.094 nan 8.240 nan 0.000 0.461 244 S N 0.416 115.723 115.700 -0.655 0.000 2.625 244 S HA 0.650 5.126 4.470 0.010 0.000 0.271 244 S C -1.753 172.608 174.600 -0.398 0.000 1.161 244 S CA -0.746 57.028 58.200 -0.709 0.000 0.820 244 S CB 0.958 63.490 63.200 -1.113 0.000 1.137 244 S HN 0.563 nan 8.310 nan 0.000 0.470 245 W N 3.129 124.331 121.300 -0.163 0.000 2.351 245 W HA 0.544 5.210 4.660 0.010 0.000 0.311 245 W C 0.044 176.543 176.519 -0.033 0.000 1.168 245 W CA -0.651 56.658 57.345 -0.061 0.000 1.200 245 W CB 0.939 30.371 29.460 -0.047 0.000 1.221 245 W HN 0.563 nan 8.180 nan 0.000 0.519 246 V N 0.404 120.470 119.914 0.252 0.000 3.126 246 V HA 0.991 5.117 4.120 0.010 0.000 0.314 246 V C -0.734 175.421 176.094 0.100 0.000 1.138 246 V CA -1.417 60.981 62.300 0.165 0.000 1.034 246 V CB 1.398 33.331 31.823 0.183 0.000 1.075 246 V HN 0.577 nan 8.190 nan 0.000 0.442 247 A N 2.357 125.206 122.820 0.047 0.000 2.455 247 A HA 0.947 5.273 4.320 0.010 0.000 0.300 247 A C -3.146 174.412 177.584 -0.043 0.000 1.040 247 A CA -1.783 50.256 52.037 0.003 0.000 0.697 247 A CB 2.044 21.045 19.000 0.003 0.000 1.265 247 A HN 0.770 nan 8.150 nan 0.000 0.407 248 P HA 0.296 nan 4.420 nan 0.000 0.282 248 P C 0.130 177.365 177.300 -0.108 0.000 1.262 248 P CA -0.087 62.922 63.100 -0.152 0.000 0.773 248 P CB 1.166 32.754 31.700 -0.188 0.000 0.879 249 L N 2.061 123.212 121.223 -0.120 0.000 2.316 249 L HA 0.387 4.734 4.340 0.010 0.000 0.207 249 L C 1.146 177.981 176.870 -0.058 0.000 1.070 249 L CA 0.717 55.519 54.840 -0.064 0.000 0.820 249 L CB 0.008 42.045 42.059 -0.038 0.000 0.992 249 L HN 0.477 nan 8.230 nan 0.000 0.466 250 A N -2.121 120.626 122.820 -0.121 0.000 2.515 250 A HA 0.465 4.791 4.320 0.010 0.000 0.292 250 A C -2.435 175.039 177.584 -0.184 0.000 1.065 250 A CA -0.640 51.364 52.037 -0.055 0.000 0.641 250 A CB 0.122 19.123 19.000 0.002 0.000 1.306 250 A HN 0.027 nan 8.150 nan 0.000 0.441 251 W N 0.574 121.833 121.300 -0.069 0.000 2.448 251 W HA 0.534 5.200 4.660 0.010 0.000 0.339 251 W C 0.782 177.259 176.519 -0.071 0.000 1.124 251 W CA 0.232 57.532 57.345 -0.076 0.000 1.262 251 W CB 0.610 30.037 29.460 -0.056 0.000 1.251 251 W HN 0.722 nan 8.180 nan 0.000 0.597 252 H N 3.550 122.652 119.070 0.052 0.000 2.928 252 H HA -0.002 4.560 4.556 0.010 0.000 0.338 252 H C -1.448 173.918 175.328 0.064 0.000 1.047 252 H CA -0.425 55.602 56.048 -0.035 0.000 1.435 252 H CB 1.093 30.785 29.762 -0.117 0.000 1.428 252 H HN 0.115 nan 8.280 nan 0.000 0.590 253 P HA -0.117 nan 4.420 nan 0.000 0.215 253 P C 0.632 178.056 177.300 0.206 0.000 1.153 253 P CA 1.458 64.613 63.100 0.090 0.000 0.853 253 P CB 0.545 32.248 31.700 0.005 0.000 0.788 254 E N -2.002 118.457 120.200 0.432 0.000 2.152 254 E HA 0.038 4.394 4.350 0.010 0.000 0.195 254 E C 0.789 177.486 176.600 0.161 0.000 0.934 254 E CA 0.036 56.596 56.400 0.267 0.000 0.869 254 E CB -0.450 29.397 29.700 0.245 0.000 0.842 254 E HN 0.001 nan 8.360 nan 0.000 0.472 255 N N 1.618 120.346 118.700 0.047 0.000 2.406 255 N HA -0.005 4.741 4.740 0.010 0.000 0.265 255 N C 0.532 176.053 175.510 0.018 0.000 1.203 255 N CA 0.222 53.200 53.050 -0.119 0.000 0.945 255 N CB 0.539 38.760 38.487 -0.444 0.000 1.165 255 N HN 0.044 nan 8.380 nan 0.000 0.485 256 R N 3.281 123.788 120.500 0.011 0.000 2.152 256 R HA -0.032 4.314 4.340 0.010 0.000 0.232 256 R C 0.456 176.768 176.300 0.020 0.000 1.117 256 R CA 1.513 57.604 56.100 -0.014 0.000 0.981 256 R CB 0.161 30.411 30.300 -0.083 0.000 0.870 256 R HN 0.623 nan 8.270 nan 0.000 0.451 257 N N -0.929 117.796 118.700 0.040 0.000 2.270 257 N HA 0.137 4.883 4.740 0.010 0.000 0.198 257 N C -0.949 174.634 175.510 0.123 0.000 1.117 257 N CA -0.170 52.933 53.050 0.089 0.000 0.845 257 N CB 1.275 39.774 38.487 0.020 0.000 0.980 257 N HN 0.088 nan 8.380 nan 0.000 0.486 258 A N 0.875 123.731 122.820 0.060 0.000 2.303 258 A HA 0.534 4.861 4.320 0.010 0.000 0.320 258 A C -0.632 176.816 177.584 -0.227 0.000 1.192 258 A CA -0.497 51.394 52.037 -0.244 0.000 0.821 258 A CB 1.079 19.790 19.000 -0.483 0.000 1.188 258 A HN 0.040 nan 8.150 nan 0.000 0.492 259 V N 4.324 123.859 119.914 -0.631 0.000 2.547 259 V HA 0.559 4.685 4.120 0.010 0.000 0.299 259 V C -0.427 175.280 176.094 -0.646 0.000 1.040 259 V CA -0.797 60.903 62.300 -1.000 0.000 0.913 259 V CB 1.442 32.285 31.823 -1.633 0.000 0.992 259 V HN 0.701 nan 8.190 nan 0.000 0.449 260 I N 7.534 127.772 120.570 -0.553 0.000 2.297 260 I HA 0.347 4.523 4.170 0.010 0.000 0.291 260 I C 0.046 175.996 176.117 -0.280 0.000 1.033 260 I CA 0.000 61.058 61.300 -0.403 0.000 1.253 260 I CB 1.032 38.831 38.000 -0.335 0.000 1.396 260 I HN 0.399 nan 8.210 nan 0.000 0.476 261 M N 6.283 125.760 119.600 -0.205 0.000 2.472 261 M HA 0.419 4.905 4.480 0.010 0.000 0.331 261 M C -0.556 175.742 176.300 -0.003 0.000 1.170 261 M CA -0.795 54.437 55.300 -0.113 0.000 1.009 261 M CB 2.297 34.831 32.600 -0.111 0.000 1.672 261 M HN 0.272 nan 8.290 nan 0.000 0.453 262 V N 2.576 122.506 119.914 0.026 0.000 2.483 262 V HA 0.274 4.400 4.120 0.010 0.000 0.295 262 V C -0.816 175.347 176.094 0.116 0.000 1.035 262 V CA -0.499 61.847 62.300 0.075 0.000 0.896 262 V CB 1.683 33.538 31.823 0.053 0.000 0.986 262 V HN 0.829 nan 8.190 nan 0.000 0.447 263 D N 5.019 125.513 120.400 0.156 0.000 2.352 263 D HA 0.176 4.823 4.640 0.010 0.000 0.245 263 D C 1.019 177.386 176.300 0.111 0.000 1.224 263 D CA 0.119 54.207 54.000 0.146 0.000 0.879 263 D CB 1.070 41.980 40.800 0.183 0.000 1.057 263 D HN 0.553 nan 8.370 nan 0.000 0.491 264 L N 3.155 124.444 121.223 0.110 0.000 2.362 264 L HA -0.061 4.285 4.340 0.010 0.000 0.219 264 L C 2.185 179.176 176.870 0.202 0.000 1.134 264 L CA 0.848 55.762 54.840 0.123 0.000 0.807 264 L CB -0.186 41.946 42.059 0.120 0.000 0.927 264 L HN 0.451 nan 8.230 nan 0.000 0.447 265 A N 0.013 122.935 122.820 0.171 0.000 2.208 265 A HA 0.220 4.546 4.320 0.010 0.000 0.209 265 A C 1.460 179.151 177.584 0.178 0.000 1.161 265 A CA 0.652 52.805 52.037 0.193 0.000 0.782 265 A CB -0.609 18.402 19.000 0.017 0.000 0.816 265 A HN 0.348 nan 8.150 nan 0.000 0.477 266 G N -0.731 108.187 108.800 0.197 0.000 2.535 266 G HA2 0.372 4.338 3.960 0.010 0.000 0.282 266 G HA3 0.372 4.338 3.960 0.010 0.000 0.282 266 G C -0.907 174.152 174.900 0.265 0.000 1.350 266 G CA -0.081 45.129 45.100 0.185 0.000 1.039 266 G HN 0.148 nan 8.290 nan 0.000 0.509 267 D N -0.477 120.028 120.400 0.175 0.000 2.412 267 D HA 0.185 4.831 4.640 0.010 0.000 0.224 267 D C 1.474 177.836 176.300 0.103 0.000 1.093 267 D CA -0.675 53.416 54.000 0.152 0.000 0.850 267 D CB 0.698 41.563 40.800 0.109 0.000 1.046 267 D HN 0.286 nan 8.370 nan 0.000 0.507 268 I N 0.623 121.241 120.570 0.079 0.000 3.684 268 I HA 0.037 4.214 4.170 0.010 0.000 0.304 268 I C 1.412 177.551 176.117 0.037 0.000 1.278 268 I CA -0.227 61.104 61.300 0.051 0.000 1.272 268 I CB 0.073 38.089 38.000 0.027 0.000 1.029 268 I HN 0.044 nan 8.210 nan 0.000 0.458 269 S N 2.771 118.494 115.700 0.039 0.000 2.372 269 S HA -0.105 4.371 4.470 0.010 0.000 0.227 269 S C -0.213 174.403 174.600 0.027 0.000 1.044 269 S CA 2.167 60.385 58.200 0.029 0.000 1.050 269 S CB -1.443 61.776 63.200 0.032 0.000 0.901 269 S HN 0.507 nan 8.310 nan 0.000 0.447 270 P HA -0.064 nan 4.420 nan 0.000 0.218 270 P C 1.337 178.652 177.300 0.025 0.000 1.148 270 P CA 0.988 64.105 63.100 0.028 0.000 0.822 270 P CB -0.208 31.513 31.700 0.034 0.000 0.784 271 L N -1.362 119.879 121.223 0.030 0.000 2.141 271 L HA -0.093 4.253 4.340 0.010 0.000 0.209 271 L C 2.681 179.562 176.870 0.019 0.000 1.094 271 L CA 1.051 55.907 54.840 0.027 0.000 0.763 271 L CB -0.709 41.371 42.059 0.034 0.000 0.908 271 L HN -0.083 nan 8.230 nan 0.000 0.437 272 L N -1.135 120.098 121.223 0.016 0.000 2.162 272 L HA -0.075 4.272 4.340 0.010 0.000 0.205 272 L C 2.157 179.032 176.870 0.009 0.000 1.086 272 L CA 1.005 55.852 54.840 0.010 0.000 0.778 272 L CB -0.267 41.797 42.059 0.007 0.000 0.928 272 L HN 0.231 nan 8.230 nan 0.000 0.446 273 E N -0.225 119.981 120.200 0.011 0.000 2.201 273 E HA 0.159 4.515 4.350 0.010 0.000 0.193 273 E C 0.466 177.071 176.600 0.008 0.000 0.957 273 E CA 0.023 56.428 56.400 0.009 0.000 0.858 273 E CB 0.421 30.128 29.700 0.011 0.000 0.816 273 E HN 0.275 nan 8.360 nan 0.000 0.475 274 L N 2.514 123.743 121.223 0.009 0.000 2.399 274 L HA 0.177 4.523 4.340 0.010 0.000 0.265 274 L C 0.430 177.301 176.870 0.003 0.000 1.089 274 L CA -0.952 53.892 54.840 0.006 0.000 0.802 274 L CB 0.624 42.688 42.059 0.008 0.000 1.180 274 L HN 0.128 nan 8.230 nan 0.000 0.454 275 D N -0.259 120.141 120.400 -0.000 0.000 2.411 275 D HA 0.029 4.675 4.640 0.010 0.000 0.251 275 D C 0.867 177.161 176.300 -0.010 0.000 1.201 275 D CA -0.162 53.835 54.000 -0.004 0.000 0.996 275 D CB 1.284 42.081 40.800 -0.005 0.000 1.101 275 D HN 0.567 nan 8.370 nan 0.000 0.504 276 S N -0.030 115.661 115.700 -0.015 0.000 2.423 276 S HA -0.179 4.297 4.470 0.010 0.000 0.231 276 S C 1.068 175.644 174.600 -0.041 0.000 1.014 276 S CA 0.871 59.054 58.200 -0.028 0.000 0.965 276 S CB -0.176 63.009 63.200 -0.025 0.000 0.785 276 S HN 0.469 nan 8.310 nan 0.000 0.495 277 D N 1.823 122.204 120.400 -0.032 0.000 2.123 277 D HA -0.017 4.629 4.640 0.010 0.000 0.200 277 D C 1.948 178.230 176.300 -0.029 0.000 0.976 277 D CA 1.632 55.611 54.000 -0.035 0.000 0.831 277 D CB -0.675 40.110 40.800 -0.026 0.000 0.974 277 D HN 0.449 nan 8.370 nan 0.000 0.469 278 T N 1.373 115.916 114.554 -0.017 0.000 2.821 278 T HA -0.029 4.327 4.350 0.010 0.000 0.267 278 T C 2.273 176.968 174.700 -0.007 0.000 1.046 278 T CA 0.463 62.559 62.100 -0.007 0.000 1.139 278 T CB -0.158 68.710 68.868 -0.000 0.000 0.871 278 T HN 0.093 nan 8.240 nan 0.000 0.454 279 L N 0.414 121.626 121.223 -0.018 0.000 2.093 279 L HA 0.009 4.355 4.340 0.010 0.000 0.208 279 L C 2.881 179.721 176.870 -0.051 0.000 1.085 279 L CA 1.092 55.918 54.840 -0.024 0.000 0.755 279 L CB -0.424 41.620 42.059 -0.025 0.000 0.904 279 L HN 0.126 nan 8.230 nan 0.000 0.435 280 R N 0.424 120.877 120.500 -0.079 0.000 2.092 280 R HA -0.163 4.183 4.340 0.010 0.000 0.231 280 R C 2.040 178.316 176.300 -0.040 0.000 1.119 280 R CA 1.456 57.484 56.100 -0.119 0.000 0.970 280 R CB 0.017 30.232 30.300 -0.142 0.000 0.864 280 R HN 0.436 nan 8.270 nan 0.000 0.440 281 E N -0.517 119.682 120.200 -0.002 0.000 2.152 281 E HA -0.113 4.243 4.350 0.010 0.000 0.192 281 E C 2.156 178.832 176.600 0.126 0.000 0.983 281 E CA 0.411 56.859 56.400 0.080 0.000 0.818 281 E CB 0.095 29.826 29.700 0.051 0.000 0.758 281 E HN 0.142 nan 8.360 nan 0.000 0.467 282 R N 0.974 121.510 120.500 0.059 0.000 2.070 282 R HA -0.108 4.238 4.340 0.010 0.000 0.233 282 R C 2.608 178.937 176.300 0.049 0.000 1.137 282 R CA 1.056 57.184 56.100 0.047 0.000 0.945 282 R CB -0.844 29.473 30.300 0.028 0.000 0.845 282 R HN 0.319 nan 8.270 nan 0.000 0.430 283 L N -1.171 120.079 121.223 0.044 0.000 2.395 283 L HA 0.089 4.436 4.340 0.010 0.000 0.218 283 L C 1.248 178.162 176.870 0.074 0.000 1.130 283 L CA 0.474 55.342 54.840 0.047 0.000 0.826 283 L CB -0.432 41.645 42.059 0.029 0.000 0.941 283 L HN -0.009 nan 8.230 nan 0.000 0.451 294 A N 0.862 123.695 122.820 0.021 0.000 2.477 294 A HA 0.590 4.916 4.320 0.010 0.000 0.246 294 A C 0.616 178.221 177.584 0.035 0.000 1.078 294 A CA -0.032 52.022 52.037 0.028 0.000 0.770 294 A CB 0.027 19.046 19.000 0.030 0.000 1.011 294 A HN 0.775 nan 8.150 nan 0.000 0.494 295 A N 2.347 125.194 122.820 0.044 0.000 2.366 295 A HA 0.517 4.843 4.320 0.010 0.000 0.272 295 A C 0.017 177.642 177.584 0.068 0.000 1.135 295 A CA -0.353 51.718 52.037 0.057 0.000 0.804 295 A CB 0.095 19.136 19.000 0.069 0.000 1.064 295 A HN 1.089 nan 8.150 nan 0.000 0.499 296 V N 5.408 125.364 119.914 0.070 0.000 2.368 296 V HA 0.258 4.384 4.120 0.010 0.000 0.266 296 V C -1.732 174.424 176.094 0.105 0.000 1.045 296 V CA -0.965 61.381 62.300 0.076 0.000 0.899 296 V CB 0.959 32.819 31.823 0.060 0.000 1.006 296 V HN 0.843 nan 8.190 nan 0.000 0.470 297 P HA 0.238 nan 4.420 nan 0.000 0.218 297 P C -0.548 176.841 177.300 0.149 0.000 1.793 297 P CA 0.104 63.288 63.100 0.141 0.000 0.941 297 P CB 0.378 32.157 31.700 0.133 0.000 1.919 298 V N 1.895 121.903 119.914 0.156 0.000 2.656 298 V HA 0.502 4.628 4.120 0.010 0.000 0.307 298 V C 0.136 176.338 176.094 0.179 0.000 1.051 298 V CA -0.556 61.843 62.300 0.165 0.000 0.893 298 V CB 2.827 34.768 31.823 0.196 0.000 0.999 298 V HN 0.291 nan 8.190 nan 0.000 0.426 299 K N 4.513 124.987 120.400 0.123 0.000 2.508 299 K HA 0.711 5.037 4.320 0.010 0.000 0.260 299 K C -1.850 174.712 176.600 -0.064 0.000 0.949 299 K CA -0.914 55.418 56.287 0.075 0.000 0.834 299 K CB 2.322 34.853 32.500 0.052 0.000 1.365 299 K HN 0.505 nan 8.250 nan 0.000 0.437 300 L N 2.188 123.347 121.223 -0.107 0.000 2.326 300 L HA 0.402 4.748 4.340 0.010 0.000 0.278 300 L C -0.564 176.139 176.870 -0.279 0.000 1.092 300 L CA -1.210 53.446 54.840 -0.306 0.000 0.810 300 L CB 1.621 43.462 42.059 -0.362 0.000 1.153 300 L HN 0.373 nan 8.230 nan 0.000 0.439 301 V N 2.600 122.274 119.914 -0.400 0.000 2.384 301 V HA 0.266 4.392 4.120 0.010 0.000 0.287 301 V C -0.164 175.710 176.094 -0.366 0.000 1.020 301 V CA -0.638 61.470 62.300 -0.321 0.000 0.850 301 V CB 1.222 32.806 31.823 -0.398 0.000 0.987 301 V HN 0.575 nan 8.190 nan 0.000 0.436 302 H N 6.015 125.018 119.070 -0.112 0.000 2.690 302 H HA 0.282 4.844 4.556 0.010 0.000 0.289 302 H C 1.154 176.451 175.328 -0.050 0.000 1.089 302 H CA -0.210 55.791 56.048 -0.077 0.000 1.299 302 H CB 1.538 31.261 29.762 -0.065 0.000 1.405 302 H HN 0.780 nan 8.280 nan 0.000 0.463 303 I N 0.579 121.169 120.570 0.034 0.000 2.916 303 I HA -0.163 4.014 4.170 0.010 0.000 0.267 303 I C 1.305 177.417 176.117 -0.010 0.000 1.263 303 I CA 0.683 61.992 61.300 0.015 0.000 1.471 303 I CB -0.131 37.894 38.000 0.042 0.000 1.089 303 I HN 0.305 nan 8.210 nan 0.000 0.468 304 N N 1.885 120.589 118.700 0.006 0.000 2.336 304 N HA -0.037 4.709 4.740 0.010 0.000 0.189 304 N C 0.599 176.118 175.510 0.015 0.000 1.113 304 N CA 0.136 53.172 53.050 -0.023 0.000 0.858 304 N CB -0.048 38.414 38.487 -0.041 0.000 0.970 304 N HN 0.506 nan 8.380 nan 0.000 0.471 305 K N 1.143 121.573 120.400 0.049 0.000 2.726 305 K HA 0.156 4.482 4.320 0.010 0.000 0.209 305 K C -0.021 176.626 176.600 0.079 0.000 1.082 305 K CA -0.206 56.118 56.287 0.061 0.000 1.081 305 K CB -0.106 32.424 32.500 0.051 0.000 0.830 305 K HN 0.367 nan 8.250 nan 0.000 0.470 306 C N 0.869 120.216 119.300 0.078 0.000 3.267 306 C HA -0.103 4.363 4.460 0.010 0.000 0.260 306 C C -1.473 173.594 174.990 0.128 0.000 1.396 306 C CA -1.669 57.419 59.018 0.116 0.000 2.176 306 C CB -2.781 25.087 27.740 0.213 0.000 1.417 306 C HN 0.385 nan 8.230 nan 0.000 0.517 307 P HA 0.388 nan 4.420 nan 0.000 0.271 307 P C 0.118 177.526 177.300 0.180 0.000 1.218 307 P CA 0.294 63.486 63.100 0.154 0.000 0.780 307 P CB 0.966 32.748 31.700 0.136 0.000 0.901 308 V N 4.633 124.667 119.914 0.201 0.000 2.405 308 V HA 0.183 4.309 4.120 0.010 0.000 0.264 308 V C 0.613 176.880 176.094 0.288 0.000 1.048 308 V CA 0.179 62.602 62.300 0.205 0.000 0.966 308 V CB -0.372 31.521 31.823 0.116 0.000 1.015 308 V HN 0.378 nan 8.190 nan 0.000 0.477 309 L N 4.624 125.989 121.223 0.236 0.000 2.401 309 L HA 0.968 5.315 4.340 0.010 0.000 0.266 309 L C -0.180 176.815 176.870 0.207 0.000 0.991 309 L CA -0.447 54.513 54.840 0.201 0.000 0.818 309 L CB 2.205 44.336 42.059 0.120 0.000 1.321 309 L HN 0.699 nan 8.230 nan 0.000 0.413 310 A N 1.820 124.727 122.820 0.145 0.000 2.610 310 A HA 0.561 4.887 4.320 0.010 0.000 0.291 310 A C -1.325 176.299 177.584 0.067 0.000 1.086 310 A CA -0.706 51.378 52.037 0.079 0.000 0.677 310 A CB 1.660 20.577 19.000 -0.139 0.000 1.278 310 A HN 0.700 nan 8.150 nan 0.000 0.414 311 Q N 0.863 120.686 119.800 0.038 0.000 2.369 311 Q HA 0.373 4.719 4.340 0.010 0.000 0.295 311 Q C 1.012 177.068 176.000 0.094 0.000 1.075 311 Q CA 0.314 56.152 55.803 0.058 0.000 0.941 311 Q CB 0.593 29.353 28.738 0.036 0.000 1.260 311 Q HN 1.367 nan 8.270 nan 0.000 0.417 312 A N 3.197 126.091 122.820 0.122 0.000 1.940 312 A HA -0.283 4.043 4.320 0.010 0.000 0.219 312 A C 1.674 179.440 177.584 0.304 0.000 1.176 312 A CA 1.822 54.004 52.037 0.242 0.000 0.631 312 A CB -0.879 18.117 19.000 -0.006 0.000 0.814 312 A HN 0.994 nan 8.150 nan 0.000 0.446 313 N N -0.431 118.345 118.700 0.126 0.000 2.521 313 N HA -0.043 4.703 4.740 0.010 0.000 0.188 313 N C 0.917 176.481 175.510 0.090 0.000 1.146 313 N CA 1.482 54.598 53.050 0.109 0.000 0.893 313 N CB -1.234 37.275 38.487 0.037 0.000 0.975 313 N HN 0.302 nan 8.380 nan 0.000 0.451 314 T N 0.422 115.015 114.554 0.065 0.000 2.867 314 T HA -0.063 4.293 4.350 0.010 0.000 0.268 314 T C 0.575 175.273 174.700 -0.003 0.000 1.057 314 T CA 0.298 62.388 62.100 -0.017 0.000 1.136 314 T CB -0.172 68.635 68.868 -0.102 0.000 0.874 314 T HN 0.213 nan 8.240 nan 0.000 0.466 315 L N 3.392 124.647 121.223 0.054 0.000 2.363 315 L HA 0.278 4.624 4.340 0.010 0.000 0.286 315 L C 0.187 177.114 176.870 0.095 0.000 1.106 315 L CA -0.319 54.510 54.840 -0.018 0.000 0.859 315 L CB -0.100 41.805 42.059 -0.256 0.000 1.223 315 L HN -0.028 nan 8.230 nan 0.000 0.446 316 R N 5.660 126.177 120.500 0.027 0.000 2.641 316 R HA 0.158 4.504 4.340 0.010 0.000 0.269 316 R C -1.463 174.874 176.300 0.061 0.000 1.074 316 R CA -1.152 54.977 56.100 0.049 0.000 1.133 316 R CB -0.056 30.250 30.300 0.011 0.000 1.029 316 R HN 0.462 nan 8.270 nan 0.000 0.488 317 P HA -0.271 nan 4.420 nan 0.000 0.216 317 P C 0.894 178.217 177.300 0.038 0.000 1.153 317 P CA 1.396 64.547 63.100 0.085 0.000 0.858 317 P CB 0.100 31.837 31.700 0.062 0.000 0.789 318 E N -0.338 119.870 120.200 0.013 0.000 2.153 318 E HA -0.210 4.146 4.350 0.010 0.000 0.194 318 E C 1.165 177.740 176.600 -0.040 0.000 0.988 318 E CA 1.383 57.778 56.400 -0.009 0.000 0.811 318 E CB -1.113 28.581 29.700 -0.010 0.000 0.746 318 E HN 0.321 nan 8.360 nan 0.000 0.466 319 D N 1.310 121.673 120.400 -0.062 0.000 2.183 319 D HA 0.053 4.699 4.640 0.010 0.000 0.205 319 D C 2.014 178.226 176.300 -0.146 0.000 0.962 319 D CA 1.280 55.205 54.000 -0.124 0.000 0.849 319 D CB -0.062 40.646 40.800 -0.153 0.000 0.978 319 D HN 0.285 nan 8.370 nan 0.000 0.488 320 A N 1.484 124.234 122.820 -0.117 0.000 1.908 320 A HA -0.251 4.075 4.320 0.010 0.000 0.218 320 A C 1.968 179.511 177.584 -0.068 0.000 1.181 320 A CA 2.187 54.142 52.037 -0.137 0.000 0.627 320 A CB -0.642 18.357 19.000 -0.002 0.000 0.818 320 A HN 0.169 nan 8.150 nan 0.000 0.445 321 D N -0.835 119.552 120.400 -0.022 0.000 2.097 321 D HA -0.208 4.438 4.640 0.010 0.000 0.195 321 D C 2.130 178.414 176.300 -0.027 0.000 0.989 321 D CA 1.611 55.607 54.000 -0.008 0.000 0.827 321 D CB -0.214 40.588 40.800 0.004 0.000 0.966 321 D HN 0.439 nan 8.370 nan 0.000 0.456 322 R N -0.333 120.134 120.500 -0.054 0.000 2.091 322 R HA -0.066 4.280 4.340 0.010 0.000 0.238 322 R C 2.072 178.335 176.300 -0.062 0.000 1.136 322 R CA 1.163 57.224 56.100 -0.064 0.000 0.959 322 R CB -0.223 30.010 30.300 -0.111 0.000 0.856 322 R HN 0.301 nan 8.270 nan 0.000 0.437 323 L N -0.588 120.575 121.223 -0.100 0.000 2.591 323 L HA 0.207 4.553 4.340 0.010 0.000 0.228 323 L C 1.124 177.958 176.870 -0.060 0.000 1.133 323 L CA 0.488 55.267 54.840 -0.101 0.000 0.880 323 L CB 0.241 42.185 42.059 -0.193 0.000 1.033 323 L HN 0.605 nan 8.230 nan 0.000 0.450 324 G N 1.212 109.994 108.800 -0.029 0.000 2.147 324 G HA2 -0.283 3.683 3.960 0.010 0.000 0.244 324 G HA3 -0.283 3.683 3.960 0.010 0.000 0.244 324 G C 0.157 175.060 174.900 0.005 0.000 1.005 324 G CA -0.197 44.913 45.100 0.016 0.000 0.713 324 G HN 0.311 nan 8.290 nan 0.000 0.515 325 I N 0.916 121.458 120.570 -0.047 0.000 2.352 325 I HA 0.164 4.340 4.170 0.010 0.000 0.290 325 I C 0.447 176.613 176.117 0.081 0.000 1.036 325 I CA -0.746 60.527 61.300 -0.044 0.000 1.336 325 I CB 0.986 38.855 38.000 -0.218 0.000 1.407 325 I HN 0.082 nan 8.210 nan 0.000 0.497 326 N N 6.765 125.532 118.700 0.112 0.000 2.439 326 N HA 0.105 4.851 4.740 0.010 0.000 0.243 326 N C 0.964 176.615 175.510 0.236 0.000 1.088 326 N CA 0.099 53.237 53.050 0.147 0.000 0.940 326 N CB 0.656 39.200 38.487 0.095 0.000 1.180 326 N HN 0.528 nan 8.380 nan 0.000 0.505 327 R N 2.397 123.039 120.500 0.237 0.000 2.081 327 R HA -0.164 4.182 4.340 0.010 0.000 0.235 327 R C 1.244 177.569 176.300 0.043 0.000 1.131 327 R CA 1.460 57.655 56.100 0.158 0.000 0.960 327 R CB 0.167 30.510 30.300 0.072 0.000 0.856 327 R HN 0.488 nan 8.270 nan 0.000 0.436 328 Q N -0.316 119.521 119.800 0.062 0.000 2.119 328 Q HA -0.195 4.151 4.340 0.010 0.000 0.201 328 Q C 1.749 177.781 176.000 0.054 0.000 0.972 328 Q CA 2.154 57.976 55.803 0.032 0.000 0.847 328 Q CB -0.350 28.409 28.738 0.035 0.000 0.903 328 Q HN 0.560 nan 8.270 nan 0.000 0.433 329 H N -1.426 117.659 119.070 0.024 0.000 2.319 329 H HA -0.125 4.437 4.556 0.010 0.000 0.299 329 H C 1.853 177.196 175.328 0.025 0.000 1.092 329 H CA 2.233 58.298 56.048 0.029 0.000 1.302 329 H CB -0.315 29.475 29.762 0.048 0.000 1.373 329 H HN 0.368 nan 8.280 nan 0.000 0.497 330 C N 0.075 119.468 119.300 0.156 0.000 2.429 330 C HA -0.091 4.375 4.460 0.010 0.000 0.277 330 C C 2.901 177.858 174.990 -0.054 0.000 1.262 330 C CA 0.930 59.999 59.018 0.085 0.000 1.733 330 C CB -1.091 26.753 27.740 0.173 0.000 2.010 330 C HN 0.563 nan 8.230 nan 0.000 0.483 331 L N 0.671 121.838 121.223 -0.093 0.000 2.046 331 L HA -0.154 4.192 4.340 0.010 0.000 0.208 331 L C 2.305 179.115 176.870 -0.100 0.000 1.077 331 L CA 1.476 56.244 54.840 -0.120 0.000 0.747 331 L CB -0.728 41.256 42.059 -0.125 0.000 0.896 331 L HN 0.310 nan 8.230 nan 0.000 0.432 332 D N -0.164 120.173 120.400 -0.104 0.000 2.117 332 D HA -0.167 4.479 4.640 0.010 0.000 0.197 332 D C 1.980 178.203 176.300 -0.128 0.000 0.987 332 D CA 1.027 54.959 54.000 -0.113 0.000 0.829 332 D CB -0.325 40.399 40.800 -0.127 0.000 0.961 332 D HN 0.215 nan 8.370 nan 0.000 0.460 333 N N 0.374 118.970 118.700 -0.173 0.000 2.120 333 N HA -0.113 4.633 4.740 0.010 0.000 0.188 333 N C 1.829 177.295 175.510 -0.074 0.000 1.024 333 N CA 0.272 53.240 53.050 -0.135 0.000 0.852 333 N CB -0.419 37.983 38.487 -0.142 0.000 1.003 333 N HN 0.151 nan 8.380 nan 0.000 0.424 334 L N 1.848 123.029 121.223 -0.070 0.000 2.017 334 L HA -0.115 4.231 4.340 0.010 0.000 0.208 334 L C 2.182 179.021 176.870 -0.051 0.000 1.073 334 L CA 1.795 56.602 54.840 -0.055 0.000 0.745 334 L CB -0.593 41.423 42.059 -0.072 0.000 0.894 334 L HN 0.078 nan 8.230 nan 0.000 0.432 335 K N -0.330 120.034 120.400 -0.059 0.000 2.032 335 K HA -0.194 4.132 4.320 0.010 0.000 0.209 335 K C 2.125 178.701 176.600 -0.040 0.000 1.048 335 K CA 2.108 58.366 56.287 -0.049 0.000 0.927 335 K CB -0.290 32.179 32.500 -0.051 0.000 0.712 335 K HN 0.438 nan 8.250 nan 0.000 0.441 336 I N 1.199 121.742 120.570 -0.044 0.000 2.179 336 I HA -0.310 3.866 4.170 0.010 0.000 0.242 336 I C 2.260 178.363 176.117 -0.025 0.000 1.088 336 I CA 1.136 62.415 61.300 -0.035 0.000 1.357 336 I CB -0.226 37.750 38.000 -0.041 0.000 1.051 336 I HN 0.187 nan 8.210 nan 0.000 0.409 337 L N 0.114 121.323 121.223 -0.025 0.000 2.046 337 L HA -0.197 4.149 4.340 0.010 0.000 0.208 337 L C 2.706 179.568 176.870 -0.013 0.000 1.077 337 L CA 1.418 56.249 54.840 -0.015 0.000 0.747 337 L CB -0.557 41.495 42.059 -0.012 0.000 0.896 337 L HN 0.142 nan 8.230 nan 0.000 0.432 338 R N -0.062 120.427 120.500 -0.018 0.000 2.120 338 R HA -0.147 4.199 4.340 0.010 0.000 0.234 338 R C 1.835 178.127 176.300 -0.013 0.000 1.123 338 R CA 1.124 57.214 56.100 -0.016 0.000 0.975 338 R CB -0.125 30.163 30.300 -0.021 0.000 0.866 338 R HN 0.428 nan 8.270 nan 0.000 0.446 339 E N -0.153 120.038 120.200 -0.015 0.000 2.478 339 E HA 0.039 4.395 4.350 0.010 0.000 0.194 339 E C -0.196 176.399 176.600 -0.009 0.000 1.045 339 E CA 0.122 56.515 56.400 -0.012 0.000 0.868 339 E CB 0.383 30.074 29.700 -0.015 0.000 0.885 339 E HN 0.216 nan 8.360 nan 0.000 0.505 340 N N 1.223 119.918 118.700 -0.008 0.000 2.813 340 N HA 0.090 4.836 4.740 0.010 0.000 0.282 340 N C -2.242 173.267 175.510 -0.001 0.000 1.748 340 N CA -0.940 52.108 53.050 -0.004 0.000 0.860 340 N CB 1.215 39.700 38.487 -0.004 0.000 1.204 340 N HN 0.073 nan 8.380 nan 0.000 0.490 341 P HA -0.157 nan 4.420 nan 0.000 0.231 341 P C 1.340 178.643 177.300 0.006 0.000 1.158 341 P CA 0.935 64.037 63.100 0.003 0.000 0.763 341 P CB 0.353 32.054 31.700 0.003 0.000 0.805 342 Q N -0.110 119.693 119.800 0.005 0.000 2.364 342 Q HA -0.048 4.298 4.340 0.010 0.000 0.207 342 Q C 1.629 177.634 176.000 0.009 0.000 0.970 342 Q CA 1.146 56.953 55.803 0.006 0.000 0.888 342 Q CB -1.473 27.268 28.738 0.004 0.000 0.951 342 Q HN 0.140 nan 8.270 nan 0.000 0.469 343 V N 1.504 121.423 119.914 0.009 0.000 2.809 343 V HA -0.175 3.951 4.120 0.010 0.000 0.256 343 V C 2.449 178.554 176.094 0.018 0.000 1.080 343 V CA 1.608 63.916 62.300 0.014 0.000 1.102 343 V CB -0.620 31.211 31.823 0.013 0.000 0.705 343 V HN 0.324 nan 8.190 nan 0.000 0.475 344 R N 0.214 120.723 120.500 0.015 0.000 2.073 344 R HA -0.174 4.172 4.340 0.010 0.000 0.234 344 R C 2.313 178.626 176.300 0.023 0.000 1.134 344 R CA 1.777 57.887 56.100 0.017 0.000 0.952 344 R CB -0.323 29.987 30.300 0.016 0.000 0.850 344 R HN 0.570 nan 8.270 nan 0.000 0.433 345 E N 0.602 120.814 120.200 0.020 0.000 2.150 345 E HA -0.186 4.171 4.350 0.010 0.000 0.193 345 E C 1.959 178.570 176.600 0.020 0.000 0.985 345 E CA 0.846 57.258 56.400 0.019 0.000 0.814 345 E CB 0.038 29.747 29.700 0.013 0.000 0.752 345 E HN 0.228 nan 8.360 nan 0.000 0.466 346 K N 0.817 121.228 120.400 0.019 0.000 2.057 346 K HA -0.144 4.183 4.320 0.010 0.000 0.207 346 K C 2.204 178.820 176.600 0.027 0.000 1.049 346 K CA 1.487 57.784 56.287 0.016 0.000 0.931 346 K CB 0.075 32.584 32.500 0.014 0.000 0.714 346 K HN 0.107 nan 8.250 nan 0.000 0.440 347 V N -2.414 117.532 119.914 0.053 0.000 2.649 347 V HA -0.073 4.053 4.120 0.010 0.000 0.248 347 V C 2.004 178.199 176.094 0.169 0.000 1.054 347 V CA 0.938 63.307 62.300 0.114 0.000 1.073 347 V CB -0.157 31.747 31.823 0.134 0.000 0.699 347 V HN 0.000 nan 8.190 nan 0.000 0.463 348 V N 1.406 121.374 119.914 0.089 0.000 2.343 348 V HA -0.187 3.939 4.120 0.010 0.000 0.247 348 V C 3.140 179.261 176.094 0.045 0.000 1.051 348 V CA 2.331 64.668 62.300 0.062 0.000 1.036 348 V CB -1.223 30.618 31.823 0.030 0.000 0.654 348 V HN 0.650 nan 8.190 nan 0.000 0.451 349 A N -0.200 122.634 122.820 0.022 0.000 1.972 349 A HA -0.167 4.159 4.320 0.010 0.000 0.219 349 A C 2.157 179.715 177.584 -0.044 0.000 1.169 349 A CA 1.759 53.792 52.037 -0.007 0.000 0.635 349 A CB -0.537 18.457 19.000 -0.010 0.000 0.810 349 A HN 0.529 nan 8.150 nan 0.000 0.446 350 I N -1.944 118.583 120.570 -0.071 0.000 2.163 350 I HA -0.264 3.912 4.170 0.010 0.000 0.243 350 I C 1.872 177.787 176.117 -0.336 0.000 1.085 350 I CA 1.573 62.731 61.300 -0.236 0.000 1.347 350 I CB -0.341 37.441 38.000 -0.364 0.000 1.044 350 I HN 0.328 nan 8.210 nan 0.000 0.408 351 F N 0.200 120.074 119.950 -0.126 0.000 2.765 351 F HA 0.216 4.749 4.527 0.010 0.000 0.302 351 F C 2.296 177.969 175.800 -0.211 0.000 1.111 351 F CA 0.413 58.285 58.000 -0.213 0.000 1.359 351 F CB -0.344 38.358 39.000 -0.498 0.000 1.097 351 F HN -0.068 nan 8.300 nan 0.000 0.577 352 A N -0.234 122.584 122.820 -0.003 0.000 2.015 352 A HA -0.099 4.227 4.320 0.010 0.000 0.219 352 A C 1.031 178.628 177.584 0.023 0.000 1.163 352 A CA 0.958 53.000 52.037 0.008 0.000 0.646 352 A CB -0.484 18.517 19.000 0.002 0.000 0.806 352 A HN 0.432 nan 8.150 nan 0.000 0.448 361 D N 2.479 122.893 120.400 0.025 0.000 2.340 361 D HA 0.010 4.656 4.640 0.010 0.000 0.220 361 D C 0.269 176.592 176.300 0.038 0.000 1.039 361 D CA -0.098 53.919 54.000 0.029 0.000 0.866 361 D CB -0.175 40.637 40.800 0.020 0.000 0.913 361 D HN 0.314 nan 8.370 nan 0.000 0.523 362 N N 1.324 120.045 118.700 0.035 0.000 2.401 362 N HA -0.029 4.717 4.740 0.010 0.000 0.255 362 N C 0.980 176.535 175.510 0.074 0.000 1.110 362 N CA -0.218 52.860 53.050 0.047 0.000 0.949 362 N CB 1.597 40.095 38.487 0.017 0.000 1.110 362 N HN -0.154 nan 8.380 nan 0.000 0.490 363 V N 3.617 123.589 119.914 0.097 0.000 2.568 363 V HA -0.218 3.908 4.120 0.010 0.000 0.253 363 V C 1.085 177.300 176.094 0.202 0.000 1.072 363 V CA 1.827 64.207 62.300 0.133 0.000 1.084 363 V CB -0.308 31.577 31.823 0.104 0.000 0.676 363 V HN 0.620 nan 8.190 nan 0.000 0.469 364 D N 0.499 120.990 120.400 0.151 0.000 2.265 364 D HA -0.094 4.552 4.640 0.010 0.000 0.208 364 D C 1.782 178.170 176.300 0.147 0.000 0.977 364 D CA 1.513 55.617 54.000 0.173 0.000 0.871 364 D CB -0.137 40.714 40.800 0.084 0.000 0.925 364 D HN 0.581 nan 8.370 nan 0.000 0.485 365 A N -0.235 122.636 122.820 0.085 0.000 2.345 365 A HA 0.093 4.419 4.320 0.010 0.000 0.225 365 A C 1.367 178.952 177.584 0.001 0.000 1.243 365 A CA -0.036 52.024 52.037 0.039 0.000 0.875 365 A CB 0.124 19.142 19.000 0.030 0.000 0.929 365 A HN 0.078 nan 8.150 nan 0.000 0.502 366 Q N -0.645 119.148 119.800 -0.011 0.000 2.172 366 Q HA 0.192 4.538 4.340 0.010 0.000 0.217 366 Q C 1.279 177.086 176.000 -0.323 0.000 0.832 366 Q CA -0.385 55.382 55.803 -0.061 0.000 1.010 366 Q CB 0.286 29.062 28.738 0.063 0.000 1.133 366 Q HN 0.522 nan 8.270 nan 0.000 0.489 367 L N -0.110 120.646 121.223 -0.778 0.000 2.021 367 L HA -0.226 4.120 4.340 0.010 0.000 0.215 367 L C 0.991 177.413 176.870 -0.747 0.000 1.074 367 L CA 2.093 56.190 54.840 -1.238 0.000 0.760 367 L CB -0.241 40.998 42.059 -1.366 0.000 0.889 367 L HN 0.265 nan 8.230 nan 0.000 0.433 368 Y N -0.943 119.191 120.300 -0.275 0.000 2.493 368 Y HA 0.196 4.752 4.550 0.010 0.000 0.275 368 Y C 1.591 177.352 175.900 -0.230 0.000 1.183 368 Y CA -0.201 57.758 58.100 -0.236 0.000 1.258 368 Y CB -0.956 37.413 38.460 -0.151 0.000 1.108 368 Y HN 0.269 nan 8.280 nan 0.000 0.521 369 N N 0.812 119.437 118.700 -0.126 0.000 2.575 369 N HA 0.205 4.952 4.740 0.010 0.000 0.192 369 N C 0.604 176.008 175.510 -0.177 0.000 1.200 369 N CA 0.895 53.877 53.050 -0.112 0.000 0.897 369 N CB 0.173 38.609 38.487 -0.085 0.000 0.990 369 N HN 0.441 nan 8.380 nan 0.000 0.449 370 G N -1.100 107.527 108.800 -0.288 0.000 2.334 370 G HA2 0.003 3.969 3.960 0.010 0.000 0.566 370 G HA3 0.003 3.969 3.960 0.010 0.000 0.566 370 G C -1.201 173.409 174.900 -0.484 0.000 1.413 370 G CA -1.140 43.755 45.100 -0.342 0.000 0.993 370 G HN -0.015 nan 8.290 nan 0.000 0.642 371 F N -0.022 119.858 119.950 -0.117 0.000 2.389 371 F HA 0.672 5.204 4.527 0.009 0.000 0.337 371 F C 0.983 176.702 175.800 -0.136 0.000 1.112 371 F CA -0.210 57.745 58.000 -0.075 0.000 1.192 371 F CB 0.606 39.628 39.000 0.036 0.000 1.185 371 F HN 0.330 nan 8.300 nan 0.000 0.552 372 F N 0.502 120.644 119.950 0.319 0.000 2.418 372 F HA 0.274 4.806 4.527 0.008 0.000 0.341 372 F C 0.917 176.837 175.800 0.201 0.000 1.120 372 F CA -0.717 57.415 58.000 0.219 0.000 1.232 372 F CB 0.445 39.559 39.000 0.190 0.000 1.175 372 F HN 0.485 nan 8.300 nan 0.000 0.569 373 S N 0.484 116.388 115.700 0.340 0.000 2.580 373 S HA -0.009 4.468 4.470 0.010 0.000 0.266 373 S C 0.654 175.383 174.600 0.216 0.000 1.354 373 S CA -0.611 57.726 58.200 0.228 0.000 1.008 373 S CB 0.612 63.920 63.200 0.181 0.000 0.898 373 S HN 0.610 nan 8.310 nan 0.000 0.555 374 D N 1.526 122.016 120.400 0.151 0.000 2.149 374 D HA -0.035 4.611 4.640 0.010 0.000 0.198 374 D C 2.198 178.568 176.300 0.116 0.000 0.990 374 D CA 1.871 55.946 54.000 0.124 0.000 0.839 374 D CB -0.823 40.028 40.800 0.086 0.000 0.948 374 D HN 0.699 nan 8.370 nan 0.000 0.460 375 A N 0.840 123.727 122.820 0.110 0.000 1.877 375 A HA -0.188 4.138 4.320 0.010 0.000 0.216 375 A C 1.853 179.511 177.584 0.123 0.000 1.186 375 A CA 1.686 53.779 52.037 0.094 0.000 0.620 375 A CB -0.462 18.586 19.000 0.079 0.000 0.822 375 A HN 0.028 nan 8.150 nan 0.000 0.443 376 D N -0.800 119.709 120.400 0.182 0.000 2.117 376 D HA -0.144 4.502 4.640 0.010 0.000 0.197 376 D C 2.119 178.516 176.300 0.161 0.000 0.987 376 D CA 1.462 55.605 54.000 0.238 0.000 0.829 376 D CB -0.236 40.757 40.800 0.321 0.000 0.961 376 D HN 0.365 nan 8.370 nan 0.000 0.460 377 R N 1.257 121.843 120.500 0.144 0.000 2.081 377 R HA -0.013 4.333 4.340 0.010 0.000 0.235 377 R C 1.941 178.284 176.300 0.072 0.000 1.131 377 R CA 1.791 57.944 56.100 0.090 0.000 0.960 377 R CB -0.843 29.546 30.300 0.148 0.000 0.856 377 R HN 0.056 nan 8.270 nan 0.000 0.436 378 A N 0.344 123.211 122.820 0.077 0.000 1.908 378 A HA -0.073 4.253 4.320 0.010 0.000 0.218 378 A C 2.403 180.009 177.584 0.036 0.000 1.181 378 A CA 1.968 54.032 52.037 0.046 0.000 0.627 378 A CB -1.121 17.902 19.000 0.038 0.000 0.818 378 A HN 0.514 nan 8.150 nan 0.000 0.445 379 A N -0.643 122.218 122.820 0.069 0.000 1.898 379 A HA -0.080 4.246 4.320 0.010 0.000 0.216 379 A C 2.241 179.935 177.584 0.182 0.000 1.181 379 A CA 1.728 53.811 52.037 0.076 0.000 0.620 379 A CB -0.530 18.498 19.000 0.046 0.000 0.819 379 A HN 0.531 nan 8.150 nan 0.000 0.442 380 M N -0.782 118.947 119.600 0.215 0.000 2.213 380 M HA -0.139 4.347 4.480 0.010 0.000 0.263 380 M C 2.195 178.508 176.300 0.021 0.000 1.062 380 M CA 1.864 57.271 55.300 0.178 0.000 1.105 380 M CB -0.288 32.359 32.600 0.078 0.000 1.385 380 M HN 0.476 nan 8.290 nan 0.000 0.417 381 K N 1.314 121.705 120.400 -0.015 0.000 2.097 381 K HA -0.129 4.197 4.320 0.010 0.000 0.206 381 K C 1.637 178.176 176.600 -0.101 0.000 1.049 381 K CA 1.285 57.526 56.287 -0.076 0.000 0.933 381 K CB -0.091 32.384 32.500 -0.042 0.000 0.717 381 K HN 0.261 nan 8.250 nan 0.000 0.442 382 I N 0.513 121.040 120.570 -0.073 0.000 2.226 382 I HA -0.272 3.904 4.170 0.010 0.000 0.245 382 I C 2.142 178.175 176.117 -0.139 0.000 1.100 382 I CA 0.804 62.048 61.300 -0.092 0.000 1.374 382 I CB -0.135 37.819 38.000 -0.076 0.000 1.057 382 I HN -0.019 nan 8.210 nan 0.000 0.413 383 V N 0.739 120.545 119.914 -0.180 0.000 2.282 383 V HA -0.313 3.814 4.120 0.010 0.000 0.249 383 V C 2.434 178.322 176.094 -0.343 0.000 1.057 383 V CA 2.031 64.130 62.300 -0.336 0.000 1.032 383 V CB -0.625 30.759 31.823 -0.732 0.000 0.645 383 V HN 0.389 nan 8.190 nan 0.000 0.447 384 L N 0.324 121.341 121.223 -0.342 0.000 2.042 384 L HA -0.173 4.173 4.340 0.010 0.000 0.210 384 L C 2.197 178.939 176.870 -0.213 0.000 1.076 384 L CA 2.020 56.666 54.840 -0.324 0.000 0.749 384 L CB -0.600 41.203 42.059 -0.426 0.000 0.893 384 L HN 0.427 nan 8.230 nan 0.000 0.432 385 E N -1.459 118.636 120.200 -0.175 0.000 2.474 385 E HA 0.076 4.433 4.350 0.010 0.000 0.195 385 E C 0.074 176.608 176.600 -0.109 0.000 1.039 385 E CA 0.026 56.351 56.400 -0.125 0.000 0.881 385 E CB 0.111 29.749 29.700 -0.103 0.000 0.970 385 E HN 0.388 nan 8.360 nan 0.000 0.486 386 T N 2.047 116.526 114.554 -0.125 0.000 2.869 386 T HA 0.090 4.446 4.350 0.010 0.000 0.295 386 T C 0.074 174.691 174.700 -0.138 0.000 0.987 386 T CA -0.271 61.757 62.100 -0.121 0.000 1.109 386 T CB 1.031 69.825 68.868 -0.124 0.000 0.932 386 T HN 0.034 nan 8.240 nan 0.000 0.518 387 E N 3.859 123.976 120.200 -0.137 0.000 2.465 387 E HA -0.004 4.352 4.350 0.010 0.000 0.260 387 E C -1.474 174.974 176.600 -0.255 0.000 0.980 387 E CA -1.414 54.881 56.400 -0.175 0.000 0.927 387 E CB 0.446 30.061 29.700 -0.141 0.000 0.934 387 E HN 0.356 nan 8.360 nan 0.000 0.459 388 P HA -0.234 nan 4.420 nan 0.000 0.218 388 P C 1.084 178.120 177.300 -0.440 0.000 1.148 388 P CA 1.407 64.097 63.100 -0.683 0.000 0.822 388 P CB 0.061 30.886 31.700 -1.459 0.000 0.784 389 R N -1.021 119.293 120.500 -0.310 0.000 2.189 389 R HA 0.024 4.370 4.340 0.010 0.000 0.223 389 R C 1.166 177.381 176.300 -0.142 0.000 1.092 389 R CA 1.257 57.241 56.100 -0.194 0.000 0.989 389 R CB -0.983 29.230 30.300 -0.146 0.000 0.876 389 R HN 0.107 nan 8.270 nan 0.000 0.457 390 N N 0.571 119.185 118.700 -0.145 0.000 2.336 390 N HA 0.113 4.859 4.740 0.010 0.000 0.189 390 N C 1.397 176.847 175.510 -0.099 0.000 1.113 390 N CA 0.253 53.239 53.050 -0.106 0.000 0.858 390 N CB 0.258 38.687 38.487 -0.098 0.000 0.970 390 N HN 0.237 nan 8.380 nan 0.000 0.471 391 L N 0.892 122.045 121.223 -0.118 0.000 2.056 391 L HA -0.053 4.293 4.340 0.010 0.000 0.207 391 L C -0.507 176.336 176.870 -0.045 0.000 1.078 391 L CA 1.296 56.084 54.840 -0.087 0.000 0.749 391 L CB -1.394 40.608 42.059 -0.095 0.000 0.901 391 L HN 0.044 nan 8.230 nan 0.000 0.433 392 P HA -0.180 nan 4.420 nan 0.000 0.215 392 P C 1.079 178.373 177.300 -0.010 0.000 1.153 392 P CA 1.655 64.749 63.100 -0.010 0.000 0.853 392 P CB 0.033 31.724 31.700 -0.014 0.000 0.788 393 A N -1.522 121.282 122.820 -0.027 0.000 2.275 393 A HA 0.101 4.428 4.320 0.010 0.000 0.212 393 A C 0.777 178.340 177.584 -0.035 0.000 1.201 393 A CA -0.237 51.784 52.037 -0.027 0.000 0.843 393 A CB -1.049 17.932 19.000 -0.031 0.000 0.873 393 A HN 0.139 nan 8.150 nan 0.000 0.492 394 L N 1.375 122.574 121.223 -0.040 0.000 2.500 394 L HA 0.184 4.530 4.340 0.010 0.000 0.272 394 L C -0.292 176.544 176.870 -0.056 0.000 1.149 394 L CA -0.102 54.706 54.840 -0.053 0.000 0.897 394 L CB 0.098 42.121 42.059 -0.061 0.000 1.178 394 L HN 0.213 nan 8.230 nan 0.000 0.473 395 D N 5.736 126.095 120.400 -0.068 0.000 2.339 395 D HA 0.389 5.036 4.640 0.010 0.000 0.241 395 D C -0.841 175.382 176.300 -0.129 0.000 1.183 395 D CA 0.004 53.955 54.000 -0.082 0.000 0.859 395 D CB 0.504 41.265 40.800 -0.065 0.000 1.067 395 D HN 0.513 nan 8.370 nan 0.000 0.484 396 I N 1.912 122.368 120.570 -0.191 0.000 2.947 396 I HA 0.327 4.503 4.170 0.010 0.000 0.301 396 I C -1.286 174.542 176.117 -0.482 0.000 1.453 396 I CA -0.211 60.890 61.300 -0.331 0.000 0.984 396 I CB 2.388 40.148 38.000 -0.401 0.000 1.333 396 I HN 0.241 nan 8.210 nan 0.000 0.475 397 T N 5.376 119.606 114.554 -0.540 0.000 2.824 397 T HA 0.697 5.053 4.350 0.010 0.000 0.282 397 T C -1.113 173.251 174.700 -0.560 0.000 0.993 397 T CA -0.146 61.692 62.100 -0.438 0.000 0.967 397 T CB 0.634 69.392 68.868 -0.183 0.000 0.960 397 T HN 0.214 nan 8.240 nan 0.000 0.441 398 F N 0.914 120.887 119.950 0.039 0.000 2.522 398 F HA 0.569 5.101 4.527 0.009 0.000 0.324 398 F C 0.892 176.736 175.800 0.074 0.000 1.077 398 F CA -1.126 56.911 58.000 0.061 0.000 0.944 398 F CB 1.337 40.380 39.000 0.072 0.000 1.175 398 F HN 0.296 nan 8.300 nan 0.000 0.468 399 V N -1.006 119.085 119.914 0.294 0.000 2.627 399 V HA -0.022 4.104 4.120 0.010 0.000 0.239 399 V C 0.518 176.738 176.094 0.211 0.000 1.077 399 V CA 0.418 62.841 62.300 0.205 0.000 1.103 399 V CB -0.222 31.697 31.823 0.161 0.000 0.802 399 V HN 0.747 nan 8.190 nan 0.000 0.482 400 D N 1.389 121.945 120.400 0.260 0.000 2.487 400 D HA -0.042 4.604 4.640 0.010 0.000 0.243 400 D C 0.797 177.219 176.300 0.203 0.000 1.154 400 D CA 0.020 54.169 54.000 0.249 0.000 0.876 400 D CB 1.166 42.219 40.800 0.421 0.000 1.161 400 D HN 0.060 nan 8.370 nan 0.000 0.478 401 K N 3.911 124.399 120.400 0.146 0.000 2.283 401 K HA -0.084 4.242 4.320 0.010 0.000 0.202 401 K C 1.856 178.521 176.600 0.107 0.000 1.048 401 K CA 0.576 56.931 56.287 0.114 0.000 0.948 401 K CB -0.012 32.539 32.500 0.085 0.000 0.742 401 K HN 0.480 nan 8.250 nan 0.000 0.458 402 R N 0.511 121.095 120.500 0.140 0.000 2.115 402 R HA 0.056 4.402 4.340 0.010 0.000 0.230 402 R C 2.360 178.690 176.300 0.051 0.000 1.111 402 R CA 0.851 57.032 56.100 0.135 0.000 0.976 402 R CB -0.373 30.072 30.300 0.242 0.000 0.870 402 R HN 0.151 nan 8.270 nan 0.000 0.445 403 I N 0.724 121.297 120.570 0.004 0.000 2.226 403 I HA -0.243 3.934 4.170 0.010 0.000 0.245 403 I C 2.679 178.669 176.117 -0.212 0.000 1.100 403 I CA 1.028 62.175 61.300 -0.255 0.000 1.374 403 I CB -0.370 37.282 38.000 -0.580 0.000 1.057 403 I HN 0.182 nan 8.210 nan 0.000 0.413 404 E N 1.861 122.022 120.200 -0.066 0.000 2.070 404 E HA -0.306 4.050 4.350 0.010 0.000 0.197 404 E C 2.111 178.764 176.600 0.090 0.000 1.004 404 E CA 1.793 58.220 56.400 0.046 0.000 0.805 404 E CB -0.066 29.689 29.700 0.091 0.000 0.744 404 E HN 0.418 nan 8.360 nan 0.000 0.451 405 K N 0.014 120.460 120.400 0.077 0.000 2.103 405 K HA -0.037 4.289 4.320 0.010 0.000 0.204 405 K C 2.569 179.239 176.600 0.115 0.000 1.052 405 K CA 0.593 56.955 56.287 0.126 0.000 0.945 405 K CB -0.075 32.484 32.500 0.098 0.000 0.722 405 K HN 0.094 nan 8.250 nan 0.000 0.443 406 L N 0.881 122.104 121.223 -0.001 0.000 2.012 406 L HA -0.232 4.114 4.340 0.010 0.000 0.210 406 L C 2.448 179.394 176.870 0.126 0.000 1.073 406 L CA 0.789 55.565 54.840 -0.107 0.000 0.748 406 L CB -0.450 41.337 42.059 -0.453 0.000 0.891 406 L HN 0.274 nan 8.230 nan 0.000 0.431 407 L N -0.889 120.475 121.223 0.236 0.000 2.056 407 L HA -0.214 4.132 4.340 0.010 0.000 0.207 407 L C 2.295 179.311 176.870 0.243 0.000 1.078 407 L CA 1.576 56.597 54.840 0.301 0.000 0.749 407 L CB -0.644 41.492 42.059 0.129 0.000 0.901 407 L HN 0.112 nan 8.230 nan 0.000 0.433 408 F N 0.612 120.613 119.950 0.086 0.000 2.075 408 F HA -0.232 4.302 4.527 0.012 0.000 0.297 408 F C 2.279 178.082 175.800 0.004 0.000 1.113 408 F CA 1.898 59.925 58.000 0.046 0.000 1.218 408 F CB -0.565 38.462 39.000 0.044 0.000 0.984 408 F HN 0.220 nan 8.300 nan 0.000 0.472 409 N N -0.363 118.291 118.700 -0.076 0.000 2.104 409 N HA -0.264 4.482 4.740 0.010 0.000 0.190 409 N C 1.803 177.171 175.510 -0.237 0.000 1.024 409 N CA 1.705 54.638 53.050 -0.194 0.000 0.853 409 N CB -1.133 37.356 38.487 0.004 0.000 1.008 409 N HN 0.501 nan 8.380 nan 0.000 0.424 410 Y N 1.953 122.156 120.300 -0.162 0.000 2.128 410 Y HA -0.165 4.391 4.550 0.010 0.000 0.284 410 Y C 2.302 178.064 175.900 -0.230 0.000 1.154 410 Y CA 1.737 59.771 58.100 -0.109 0.000 1.149 410 Y CB -0.143 38.415 38.460 0.164 0.000 0.976 410 Y HN -0.021 nan 8.280 nan 0.000 0.505 411 R N -0.274 120.098 120.500 -0.214 0.000 2.066 411 R HA -0.081 4.265 4.340 0.010 0.000 0.232 411 R C 2.534 178.526 176.300 -0.514 0.000 1.131 411 R CA 1.135 57.083 56.100 -0.254 0.000 0.955 411 R CB -0.694 29.545 30.300 -0.101 0.000 0.851 411 R HN 0.431 nan 8.270 nan 0.000 0.432 412 A N 1.248 123.572 122.820 -0.827 0.000 1.930 412 A HA -0.141 4.185 4.320 0.010 0.000 0.217 412 A C 2.102 178.953 177.584 -1.222 0.000 1.175 412 A CA 1.123 52.439 52.037 -1.202 0.000 0.627 412 A CB -0.267 17.622 19.000 -1.852 0.000 0.815 412 A HN 0.203 nan 8.150 nan 0.000 0.443 413 R N -0.584 119.320 120.500 -0.993 0.000 2.075 413 R HA 0.006 4.352 4.340 0.010 0.000 0.226 413 R C 1.610 177.565 176.300 -0.576 0.000 1.114 413 R CA 1.349 57.055 56.100 -0.657 0.000 0.972 413 R CB -0.181 29.897 30.300 -0.371 0.000 0.869 413 R HN 0.511 nan 8.270 nan 0.000 0.437 414 N N -0.393 117.831 118.700 -0.794 0.000 2.387 414 N HA 0.009 4.755 4.740 0.010 0.000 0.176 414 N C -0.181 174.654 175.510 -1.125 0.000 1.022 414 N CA 0.868 53.248 53.050 -1.116 0.000 0.883 414 N CB 0.512 37.916 38.487 -1.804 0.000 1.019 414 N HN 0.057 nan 8.380 nan 0.000 0.435 415 F N 0.694 120.421 119.950 -0.372 0.000 2.577 415 F HA 0.389 4.922 4.527 0.009 0.000 0.342 415 F C -1.794 173.837 175.800 -0.281 0.000 1.479 415 F CA -2.052 55.776 58.000 -0.288 0.000 1.110 415 F CB 1.174 40.005 39.000 -0.283 0.000 1.306 415 F HN -0.125 nan 8.300 nan 0.000 0.554 416 P HA -0.078 nan 4.420 nan 0.000 0.222 416 P C 1.701 178.937 177.300 -0.105 0.000 1.147 416 P CA 1.149 64.112 63.100 -0.227 0.000 0.790 416 P CB 0.270 31.823 31.700 -0.245 0.000 0.780 417 G N 0.091 108.861 108.800 -0.050 0.000 2.625 417 G HA2 -0.146 3.820 3.960 0.010 0.000 0.214 417 G HA3 -0.146 3.820 3.960 0.010 0.000 0.214 417 G C 1.306 176.195 174.900 -0.018 0.000 1.132 417 G CA 1.215 46.302 45.100 -0.021 0.000 0.782 417 G HN 0.437 nan 8.290 nan 0.000 0.538 418 T N -1.605 112.934 114.554 -0.026 0.000 3.069 418 T HA 0.398 4.754 4.350 0.010 0.000 0.252 418 T C 0.828 175.518 174.700 -0.017 0.000 1.053 418 T CA -0.449 61.635 62.100 -0.028 0.000 0.964 418 T CB -0.041 68.799 68.868 -0.046 0.000 1.005 418 T HN 0.043 nan 8.240 nan 0.000 0.532 419 L N 3.441 124.650 121.223 -0.023 0.000 2.349 419 L HA 0.435 4.782 4.340 0.010 0.000 0.275 419 L C 0.468 177.366 176.870 0.046 0.000 1.115 419 L CA -0.958 53.888 54.840 0.010 0.000 0.820 419 L CB 0.442 42.491 42.059 -0.016 0.000 1.135 419 L HN 0.347 nan 8.230 nan 0.000 0.445 420 D N 0.850 121.296 120.400 0.077 0.000 2.447 420 D HA -0.060 4.587 4.640 0.010 0.000 0.265 420 D C 0.835 177.218 176.300 0.138 0.000 1.250 420 D CA -0.258 53.805 54.000 0.105 0.000 1.046 420 D CB 0.412 41.273 40.800 0.102 0.000 1.095 420 D HN 0.485 nan 8.370 nan 0.000 0.555 421 Y N 0.155 120.487 120.300 0.053 0.000 2.128 421 Y HA -0.153 4.403 4.550 0.009 0.000 0.284 421 Y C 2.480 178.424 175.900 0.074 0.000 1.154 421 Y CA 2.741 60.876 58.100 0.059 0.000 1.149 421 Y CB -0.652 37.833 38.460 0.042 0.000 0.976 421 Y HN 0.454 nan 8.280 nan 0.000 0.505 422 A N 0.152 123.056 122.820 0.140 0.000 1.908 422 A HA -0.234 4.092 4.320 0.010 0.000 0.218 422 A C 2.065 179.657 177.584 0.013 0.000 1.181 422 A CA 2.052 54.120 52.037 0.051 0.000 0.627 422 A CB -0.752 18.308 19.000 0.099 0.000 0.818 422 A HN 0.661 nan 8.150 nan 0.000 0.445 423 E N -0.554 119.699 120.200 0.089 0.000 2.072 423 E HA -0.212 4.144 4.350 0.010 0.000 0.191 423 E C 2.304 179.058 176.600 0.257 0.000 0.985 423 E CA 1.302 57.837 56.400 0.226 0.000 0.801 423 E CB -0.184 29.686 29.700 0.284 0.000 0.750 423 E HN 0.746 nan 8.360 nan 0.000 0.452 424 Q N 0.301 120.160 119.800 0.099 0.000 2.096 424 Q HA -0.214 4.132 4.340 0.010 0.000 0.204 424 Q C 2.271 178.307 176.000 0.061 0.000 0.982 424 Q CA 1.189 57.039 55.803 0.080 0.000 0.850 424 Q CB 0.001 28.719 28.738 -0.032 0.000 0.901 424 Q HN 0.196 nan 8.270 nan 0.000 0.422 425 Q N 0.211 119.936 119.800 -0.125 0.000 2.124 425 Q HA -0.145 4.202 4.340 0.010 0.000 0.202 425 Q C 1.959 177.969 176.000 0.016 0.000 0.977 425 Q CA 1.175 56.905 55.803 -0.122 0.000 0.850 425 Q CB -0.278 28.312 28.738 -0.246 0.000 0.901 425 Q HN 0.336 nan 8.270 nan 0.000 0.429 426 R N -0.133 120.408 120.500 0.069 0.000 2.081 426 R HA -0.141 4.205 4.340 0.010 0.000 0.235 426 R C 2.062 178.545 176.300 0.304 0.000 1.131 426 R CA 1.208 57.355 56.100 0.078 0.000 0.960 426 R CB -0.330 29.877 30.300 -0.154 0.000 0.856 426 R HN 0.421 nan 8.270 nan 0.000 0.436 427 W N 1.123 122.598 121.300 0.291 0.000 2.358 427 W HA -0.207 4.458 4.660 0.009 0.000 0.303 427 W C 1.519 178.141 176.519 0.172 0.000 1.208 427 W CA 0.959 58.465 57.345 0.268 0.000 1.274 427 W CB -0.174 29.369 29.460 0.139 0.000 1.138 427 W HN 0.170 nan 8.180 nan 0.000 0.515 428 L N 0.660 121.949 121.223 0.110 0.000 2.042 428 L HA -0.272 4.075 4.340 0.010 0.000 0.210 428 L C 2.543 179.366 176.870 -0.079 0.000 1.076 428 L CA 2.015 56.841 54.840 -0.024 0.000 0.749 428 L CB -0.787 41.281 42.059 0.014 0.000 0.893 428 L HN -0.069 nan 8.230 nan 0.000 0.432 429 E N -0.486 119.693 120.200 -0.034 0.000 2.072 429 E HA -0.289 4.067 4.350 0.010 0.000 0.191 429 E C 2.022 178.559 176.600 -0.105 0.000 0.985 429 E CA 1.618 57.986 56.400 -0.053 0.000 0.801 429 E CB -0.142 29.544 29.700 -0.023 0.000 0.750 429 E HN 0.510 nan 8.360 nan 0.000 0.452 430 H N 0.172 119.121 119.070 -0.202 0.000 2.319 430 H HA -0.039 4.523 4.556 0.010 0.000 0.297 430 H C 2.034 177.076 175.328 -0.476 0.000 1.097 430 H CA 2.410 58.273 56.048 -0.309 0.000 1.285 430 H CB 0.039 29.606 29.762 -0.326 0.000 1.368 430 H HN 0.055 nan 8.280 nan 0.000 0.495 431 R N -0.118 120.014 120.500 -0.613 0.000 2.081 431 R HA -0.103 4.243 4.340 0.010 0.000 0.235 431 R C 2.669 178.729 176.300 -0.401 0.000 1.131 431 R CA 1.339 57.074 56.100 -0.609 0.000 0.960 431 R CB -0.263 29.832 30.300 -0.341 0.000 0.856 431 R HN 0.332 nan 8.270 nan 0.000 0.436 432 R N 1.154 121.520 120.500 -0.223 0.000 2.105 432 R HA -0.185 4.161 4.340 0.010 0.000 0.239 432 R C 1.955 178.145 176.300 -0.184 0.000 1.135 432 R CA 1.712 57.740 56.100 -0.121 0.000 0.967 432 R CB 0.018 30.268 30.300 -0.083 0.000 0.861 432 R HN 0.355 nan 8.270 nan 0.000 0.442 433 Q N -0.707 118.925 119.800 -0.280 0.000 2.378 433 Q HA -0.038 4.309 4.340 0.010 0.000 0.205 433 Q C 1.916 177.684 176.000 -0.387 0.000 0.954 433 Q CA 0.749 56.389 55.803 -0.272 0.000 0.901 433 Q CB 0.499 29.096 28.738 -0.234 0.000 0.981 433 Q HN 0.206 nan 8.270 nan 0.000 0.483 434 V N -0.238 119.298 119.914 -0.631 0.000 2.331 434 V HA -0.112 4.014 4.120 0.010 0.000 0.242 434 V C 0.676 176.327 176.094 -0.738 0.000 1.034 434 V CA 1.121 62.917 62.300 -0.840 0.000 1.027 434 V CB -0.144 30.898 31.823 -1.302 0.000 0.667 434 V HN 0.213 nan 8.190 nan 0.000 0.457 435 F N 2.477 122.228 119.950 -0.332 0.000 2.669 435 F HA 0.260 4.793 4.527 0.011 0.000 0.353 435 F C 1.321 177.091 175.800 -0.050 0.000 1.192 435 F CA -0.897 57.010 58.000 -0.155 0.000 1.317 435 F CB -1.528 37.394 39.000 -0.131 0.000 1.652 435 F HN 0.124 nan 8.300 nan 0.000 0.608 436 T N -1.836 112.773 114.554 0.091 0.000 2.802 436 T HA 0.110 4.466 4.350 0.010 0.000 0.305 436 T C -1.497 173.282 174.700 0.131 0.000 1.053 436 T CA -1.360 60.787 62.100 0.079 0.000 1.058 436 T CB 1.041 69.937 68.868 0.046 0.000 0.988 436 T HN 0.046 nan 8.240 nan 0.000 0.539 437 P HA -0.069 nan 4.420 nan 0.000 0.215 437 P C 1.525 178.867 177.300 0.070 0.000 1.153 437 P CA 1.003 64.138 63.100 0.059 0.000 0.853 437 P CB 0.062 31.783 31.700 0.034 0.000 0.788 438 E N -1.286 118.965 120.200 0.084 0.000 2.077 438 E HA -0.182 4.174 4.350 0.010 0.000 0.193 438 E C 1.751 178.423 176.600 0.120 0.000 0.989 438 E CA 0.975 57.426 56.400 0.085 0.000 0.800 438 E CB -0.998 28.751 29.700 0.082 0.000 0.746 438 E HN 0.119 nan 8.360 nan 0.000 0.452 439 F N 0.372 120.340 119.950 0.030 0.000 2.102 439 F HA -0.101 4.433 4.527 0.011 0.000 0.298 439 F C 1.765 177.608 175.800 0.071 0.000 1.105 439 F CA 1.407 59.440 58.000 0.055 0.000 1.239 439 F CB -0.214 38.814 39.000 0.046 0.000 0.991 439 F HN 0.027 nan 8.300 nan 0.000 0.474 440 L N -0.221 121.035 121.223 0.056 0.000 2.056 440 L HA -0.198 4.148 4.340 0.010 0.000 0.207 440 L C 2.528 179.331 176.870 -0.111 0.000 1.078 440 L CA 1.408 56.197 54.840 -0.085 0.000 0.749 440 L CB -0.792 41.260 42.059 -0.011 0.000 0.901 440 L HN 0.200 nan 8.230 nan 0.000 0.433 441 Q N 0.464 120.235 119.800 -0.049 0.000 2.050 441 Q HA -0.143 4.203 4.340 0.010 0.000 0.202 441 Q C 2.136 178.109 176.000 -0.045 0.000 0.980 441 Q CA 2.084 57.868 55.803 -0.032 0.000 0.840 441 Q CB -0.760 27.976 28.738 -0.003 0.000 0.898 441 Q HN 0.397 nan 8.270 nan 0.000 0.424 442 G N -0.971 107.788 108.800 -0.067 0.000 2.440 442 G HA2 -0.315 3.652 3.960 0.010 0.000 0.218 442 G HA3 -0.315 3.652 3.960 0.010 0.000 0.218 442 G C 1.322 176.145 174.900 -0.128 0.000 1.154 442 G CA 0.964 46.015 45.100 -0.082 0.000 0.767 442 G HN 0.477 nan 8.290 nan 0.000 0.552 443 Y N 1.675 121.757 120.300 -0.364 0.000 2.163 443 Y HA 0.039 4.595 4.550 0.011 0.000 0.288 443 Y C 3.032 178.818 175.900 -0.191 0.000 1.136 443 Y CA 1.497 59.376 58.100 -0.368 0.000 1.147 443 Y CB -0.264 37.842 38.460 -0.591 0.000 0.987 443 Y HN 0.253 nan 8.280 nan 0.000 0.509 444 A N -0.008 122.801 122.820 -0.018 0.000 1.908 444 A HA -0.216 4.110 4.320 0.010 0.000 0.218 444 A C 1.902 179.573 177.584 0.145 0.000 1.181 444 A CA 2.092 54.158 52.037 0.049 0.000 0.627 444 A CB -0.849 18.147 19.000 -0.006 0.000 0.818 444 A HN 0.506 nan 8.150 nan 0.000 0.445 445 D N -0.705 119.722 120.400 0.044 0.000 2.117 445 D HA -0.156 4.490 4.640 0.010 0.000 0.197 445 D C 1.896 178.196 176.300 0.000 0.000 0.987 445 D CA 1.501 55.519 54.000 0.031 0.000 0.829 445 D CB -0.348 40.454 40.800 0.003 0.000 0.961 445 D HN 0.730 nan 8.370 nan 0.000 0.460 446 E N 0.196 120.356 120.200 -0.066 0.000 2.072 446 E HA -0.116 4.240 4.350 0.010 0.000 0.191 446 E C 2.308 178.867 176.600 -0.068 0.000 0.985 446 E CA 0.424 56.765 56.400 -0.098 0.000 0.801 446 E CB -0.038 29.543 29.700 -0.198 0.000 0.750 446 E HN 0.207 nan 8.360 nan 0.000 0.452 447 L N 0.454 121.640 121.223 -0.061 0.000 2.046 447 L HA -0.238 4.108 4.340 0.010 0.000 0.208 447 L C 2.704 179.621 176.870 0.078 0.000 1.077 447 L CA 1.457 56.325 54.840 0.047 0.000 0.747 447 L CB -0.416 41.779 42.059 0.227 0.000 0.896 447 L HN 0.232 nan 8.230 nan 0.000 0.432 448 Q N -1.047 118.809 119.800 0.093 0.000 2.119 448 Q HA -0.219 4.127 4.340 0.010 0.000 0.201 448 Q C 2.294 178.294 176.000 0.000 0.000 0.972 448 Q CA 1.247 57.062 55.803 0.020 0.000 0.847 448 Q CB -0.141 28.614 28.738 0.029 0.000 0.903 448 Q HN 0.401 nan 8.270 nan 0.000 0.433 449 M N 0.696 120.299 119.600 0.004 0.000 2.065 449 M HA -0.181 4.305 4.480 0.010 0.000 0.259 449 M C 1.949 178.244 176.300 -0.007 0.000 1.069 449 M CA 1.703 56.996 55.300 -0.012 0.000 1.110 449 M CB -0.468 32.123 32.600 -0.015 0.000 1.328 449 M HN 0.282 nan 8.290 nan 0.000 0.405 450 L N -1.023 120.218 121.223 0.030 0.000 2.141 450 L HA -0.172 4.174 4.340 0.010 0.000 0.209 450 L C 2.454 179.403 176.870 0.132 0.000 1.094 450 L CA 0.585 55.490 54.840 0.109 0.000 0.763 450 L CB -0.719 41.432 42.059 0.152 0.000 0.908 450 L HN 0.161 nan 8.230 nan 0.000 0.437 451 V N -0.462 119.491 119.914 0.067 0.000 2.626 451 V HA -0.255 3.872 4.120 0.010 0.000 0.252 451 V C 2.305 178.409 176.094 0.017 0.000 1.067 451 V CA 1.617 63.946 62.300 0.047 0.000 1.081 451 V CB -0.038 31.782 31.823 -0.005 0.000 0.686 451 V HN 0.532 nan 8.190 nan 0.000 0.468 452 Q N -0.878 118.914 119.800 -0.014 0.000 2.062 452 Q HA -0.215 4.131 4.340 0.010 0.000 0.196 452 Q C 2.250 178.206 176.000 -0.075 0.000 0.967 452 Q CA 1.639 57.418 55.803 -0.040 0.000 0.832 452 Q CB -0.198 28.511 28.738 -0.047 0.000 0.899 452 Q HN 0.691 nan 8.270 nan 0.000 0.442 453 Q N 0.039 119.762 119.800 -0.128 0.000 2.096 453 Q HA -0.189 4.157 4.340 0.010 0.000 0.204 453 Q C 0.313 176.064 176.000 -0.415 0.000 0.982 453 Q CA 1.411 57.027 55.803 -0.313 0.000 0.850 453 Q CB 0.159 28.628 28.738 -0.448 0.000 0.901 453 Q HN 0.399 nan 8.270 nan 0.000 0.422 454 Y N -1.157 119.134 120.300 -0.015 0.000 2.720 454 Y HA 0.409 4.965 4.550 0.010 0.000 0.277 454 Y C 1.256 177.148 175.900 -0.014 0.000 1.144 454 Y CA -0.032 58.060 58.100 -0.012 0.000 1.221 454 Y CB 0.059 38.514 38.460 -0.009 0.000 1.163 454 Y HN 0.191 nan 8.280 nan 0.000 0.537 455 A N -0.270 122.589 122.820 0.065 0.000 1.986 455 A HA -0.194 4.132 4.320 0.010 0.000 0.220 455 A C 1.711 179.318 177.584 0.038 0.000 1.171 455 A CA 2.154 54.212 52.037 0.035 0.000 0.640 455 A CB -0.224 18.775 19.000 -0.002 0.000 0.811 455 A HN 0.301 nan 8.150 nan 0.000 0.451 456 D N -0.298 120.129 120.400 0.044 0.000 2.340 456 D HA 0.018 4.664 4.640 0.010 0.000 0.220 456 D C -0.177 176.154 176.300 0.051 0.000 1.039 456 D CA 0.350 54.371 54.000 0.037 0.000 0.866 456 D CB 0.089 40.904 40.800 0.025 0.000 0.913 456 D HN 0.357 nan 8.370 nan 0.000 0.523 457 D N 1.007 121.456 120.400 0.082 0.000 2.454 457 D HA 0.042 4.688 4.640 0.010 0.000 0.225 457 D C 1.037 177.360 176.300 0.038 0.000 1.081 457 D CA -0.385 53.653 54.000 0.064 0.000 0.864 457 D CB 0.872 41.727 40.800 0.091 0.000 1.040 457 D HN -0.312 nan 8.370 nan 0.000 0.517 458 K N 2.446 122.858 120.400 0.020 0.000 2.097 458 K HA -0.101 4.225 4.320 0.010 0.000 0.206 458 K C 1.497 178.101 176.600 0.006 0.000 1.049 458 K CA 0.865 57.159 56.287 0.012 0.000 0.933 458 K CB 0.205 32.710 32.500 0.008 0.000 0.717 458 K HN 0.577 nan 8.250 nan 0.000 0.442 459 E N 0.952 121.151 120.200 -0.002 0.000 2.051 459 E HA -0.143 4.213 4.350 0.010 0.000 0.192 459 E C 1.993 178.582 176.600 -0.018 0.000 0.991 459 E CA 1.104 57.499 56.400 -0.009 0.000 0.799 459 E CB 0.010 29.700 29.700 -0.017 0.000 0.748 459 E HN 0.303 nan 8.360 nan 0.000 0.449 460 K N 0.470 120.848 120.400 -0.038 0.000 2.057 460 K HA -0.094 4.232 4.320 0.010 0.000 0.206 460 K C 2.229 178.822 176.600 -0.011 0.000 1.050 460 K CA 0.937 57.184 56.287 -0.068 0.000 0.935 460 K CB -0.092 32.303 32.500 -0.175 0.000 0.715 460 K HN -0.026 nan 8.250 nan 0.000 0.439 461 V N 1.644 121.568 119.914 0.017 0.000 2.287 461 V HA -0.292 3.834 4.120 0.010 0.000 0.248 461 V C 2.396 178.501 176.094 0.018 0.000 1.053 461 V CA 2.163 64.478 62.300 0.025 0.000 1.027 461 V CB -0.729 31.107 31.823 0.021 0.000 0.646 461 V HN 0.374 nan 8.190 nan 0.000 0.447 462 A N -0.539 122.289 122.820 0.014 0.000 1.930 462 A HA -0.122 4.204 4.320 0.010 0.000 0.217 462 A C 2.210 179.813 177.584 0.032 0.000 1.175 462 A CA 1.622 53.670 52.037 0.020 0.000 0.627 462 A CB -0.482 18.528 19.000 0.015 0.000 0.815 462 A HN 0.512 nan 8.150 nan 0.000 0.443 463 L N -0.811 120.428 121.223 0.026 0.000 2.056 463 L HA -0.156 4.190 4.340 0.010 0.000 0.207 463 L C 2.493 179.400 176.870 0.061 0.000 1.078 463 L CA 0.976 55.839 54.840 0.038 0.000 0.749 463 L CB -0.465 41.605 42.059 0.019 0.000 0.901 463 L HN 0.364 nan 8.230 nan 0.000 0.433 464 L N -0.662 120.594 121.223 0.056 0.000 2.093 464 L HA -0.168 4.178 4.340 0.010 0.000 0.208 464 L C 2.671 179.620 176.870 0.131 0.000 1.085 464 L CA 0.850 55.741 54.840 0.085 0.000 0.755 464 L CB -0.474 41.625 42.059 0.066 0.000 0.904 464 L HN 0.165 nan 8.230 nan 0.000 0.435 465 K N 0.352 120.807 120.400 0.091 0.000 2.057 465 K HA -0.091 4.235 4.320 0.010 0.000 0.207 465 K C 2.215 178.917 176.600 0.169 0.000 1.049 465 K CA 1.488 57.837 56.287 0.104 0.000 0.931 465 K CB -0.677 31.845 32.500 0.038 0.000 0.714 465 K HN 0.272 nan 8.250 nan 0.000 0.440 466 A N 1.608 124.506 122.820 0.129 0.000 1.908 466 A HA -0.136 4.190 4.320 0.010 0.000 0.218 466 A C 2.388 180.080 177.584 0.180 0.000 1.181 466 A CA 1.351 53.468 52.037 0.133 0.000 0.627 466 A CB -0.723 18.329 19.000 0.087 0.000 0.818 466 A HN 0.194 nan 8.150 nan 0.000 0.445 467 L N -1.819 119.516 121.223 0.186 0.000 2.046 467 L HA -0.212 4.135 4.340 0.010 0.000 0.208 467 L C 2.650 179.701 176.870 0.303 0.000 1.077 467 L CA 1.426 56.404 54.840 0.230 0.000 0.747 467 L CB -0.509 41.670 42.059 0.200 0.000 0.896 467 L HN 0.770 nan 8.230 nan 0.000 0.432 468 W N 1.314 122.685 121.300 0.118 0.000 2.355 468 W HA -0.227 4.439 4.660 0.011 0.000 0.309 468 W C 2.336 178.897 176.519 0.070 0.000 1.206 468 W CA 1.758 59.160 57.345 0.095 0.000 1.284 468 W CB -0.236 29.255 29.460 0.051 0.000 1.145 468 W HN 0.287 nan 8.180 nan 0.000 0.502 469 Q N -1.116 118.881 119.800 0.328 0.000 2.084 469 Q HA -0.272 4.074 4.340 0.010 0.000 0.202 469 Q C 2.116 178.175 176.000 0.098 0.000 0.978 469 Q CA 2.074 58.000 55.803 0.205 0.000 0.844 469 Q CB -0.769 28.084 28.738 0.191 0.000 0.898 469 Q HN 0.303 nan 8.270 nan 0.000 0.426 470 Y N 0.715 121.013 120.300 -0.005 0.000 2.145 470 Y HA -0.220 4.336 4.550 0.010 0.000 0.286 470 Y C 2.188 177.992 175.900 -0.161 0.000 1.145 470 Y CA 1.329 59.390 58.100 -0.065 0.000 1.148 470 Y CB -0.409 38.020 38.460 -0.052 0.000 0.981 470 Y HN 0.088 nan 8.280 nan 0.000 0.507 471 A N -0.273 122.449 122.820 -0.163 0.000 1.902 471 A HA -0.228 4.099 4.320 0.010 0.000 0.217 471 A C 2.063 179.362 177.584 -0.474 0.000 1.181 471 A CA 1.969 53.758 52.037 -0.415 0.000 0.623 471 A CB -1.005 17.752 19.000 -0.405 0.000 0.818 471 A HN 0.542 nan 8.150 nan 0.000 0.443 472 D N -0.467 119.697 120.400 -0.393 0.000 2.104 472 D HA -0.197 4.450 4.640 0.010 0.000 0.194 472 D C 1.949 178.087 176.300 -0.270 0.000 0.994 472 D CA 1.610 55.421 54.000 -0.314 0.000 0.830 472 D CB -0.225 40.472 40.800 -0.172 0.000 0.959 472 D HN 0.650 nan 8.370 nan 0.000 0.452 473 E N -0.360 119.680 120.200 -0.265 0.000 2.015 473 E HA -0.139 4.217 4.350 0.010 0.000 0.191 473 E C 2.187 178.580 176.600 -0.343 0.000 0.991 473 E CA 0.656 56.903 56.400 -0.255 0.000 0.802 473 E CB -0.010 29.555 29.700 -0.225 0.000 0.759 473 E HN 0.197 nan 8.360 nan 0.000 0.447 474 I N 1.250 121.500 120.570 -0.532 0.000 2.614 474 I HA -0.103 4.073 4.170 0.010 0.000 0.258 474 I C 1.802 177.568 176.117 -0.586 0.000 1.189 474 I CA 0.630 61.597 61.300 -0.554 0.000 1.462 474 I CB -1.277 36.273 38.000 -0.751 0.000 1.092 474 I HN 0.107 nan 8.210 nan 0.000 0.442 475 V N 0.000 119.557 119.914 -0.595 0.000 2.409 475 V HA 0.000 4.126 4.120 0.010 0.000 0.244 475 V CA 0.000 61.957 62.300 -0.572 0.000 1.235 475 V CB 0.000 31.622 31.823 -0.334 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556