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 1nwc_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKNVGFIGWR GMVGSVLMDR MSQENDFENL NPVFFTTSQX XXXXXXXXXX DATA SEQUENCE XXXXLKSAFD IEELKKLDII VTCQGGDYTN EVYPKLKATG WDGYWVDAAS DATA SEQUENCE ALRMKDDAII VLDPVNQHVI SEGLKKGIKT FVGGNCTVSL MLMAIGGLFE DATA SEQUENCE KDLVEWISVA TYQAASGAGA KNMRELLSQM GLLEQAVSSE LKDPASSILD DATA SEQUENCE IERKVTAKMR ADNFPTDNFG AALGGSLIPW IDKLLPETGQ TKEEWKGYAE DATA SEQUENCE TNKILGLSDN PIPVDGLCVR IGALRCHSQA FTIKLKKDLP LEEIEQIIAS DATA SEQUENCE HNEWVKVIPN DKEITLRELT PAKVTGTLSV PVGRLRKLAM GPEYLAAFTV DATA SEQUENCE GDQLLWGAAE PVRRILKQLV A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.315 176.300 0.025 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.617 32.600 0.028 0.000 1.302 2 K N 2.154 122.565 120.400 0.018 0.000 2.298 2 K HA 0.317 4.637 4.320 -0.000 0.000 0.280 2 K C -0.690 175.931 176.600 0.035 0.000 1.032 2 K CA -0.145 56.155 56.287 0.022 0.000 0.958 2 K CB 0.223 32.721 32.500 -0.003 0.000 0.978 2 K HN 0.489 nan 8.250 nan 0.000 0.472 3 N N 2.166 120.894 118.700 0.048 0.000 2.420 3 N HA 0.151 4.891 4.740 -0.000 0.000 0.249 3 N C -0.670 174.856 175.510 0.027 0.000 1.033 3 N CA -0.277 52.805 53.050 0.053 0.000 0.944 3 N CB 1.166 39.696 38.487 0.072 0.000 1.113 3 N HN 0.112 nan 8.380 nan 0.000 0.502 4 V N 0.686 120.586 119.914 -0.022 0.000 2.417 4 V HA 0.597 4.717 4.120 -0.000 0.000 0.291 4 V C 0.862 176.761 176.094 -0.325 0.000 1.024 4 V CA -1.022 61.153 62.300 -0.208 0.000 0.861 4 V CB 1.677 33.306 31.823 -0.323 0.000 0.985 4 V HN 0.626 nan 8.190 nan 0.000 0.436 5 G N 3.061 111.635 108.800 -0.376 0.000 2.348 5 G HA2 0.662 4.622 3.960 -0.000 0.000 0.312 5 G HA3 0.662 4.622 3.960 -0.000 0.000 0.312 5 G C -1.226 173.312 174.900 -0.602 0.000 1.126 5 G CA -0.257 44.698 45.100 -0.243 0.000 0.865 5 G HN 0.416 nan 8.290 nan 0.000 0.474 6 F N 1.095 120.988 119.950 -0.095 0.000 2.467 6 F HA 0.572 5.099 4.527 -0.000 0.000 0.336 6 F C -0.072 175.856 175.800 0.213 0.000 1.123 6 F CA -0.708 57.257 58.000 -0.059 0.000 0.964 6 F CB 2.207 41.075 39.000 -0.220 0.000 1.136 6 F HN 0.137 nan 8.300 nan 0.000 0.447 7 I N 1.364 122.059 120.570 0.210 0.000 2.569 7 I HA 0.620 4.790 4.170 -0.000 0.000 0.296 7 I C 0.657 176.804 176.117 0.050 0.000 1.028 7 I CA -0.789 60.557 61.300 0.076 0.000 1.082 7 I CB 1.793 39.550 38.000 -0.406 0.000 1.264 7 I HN 0.730 nan 8.210 nan 0.000 0.429 8 G N 3.759 112.502 108.800 -0.095 0.000 2.179 8 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.257 8 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.257 8 G C 0.644 175.500 174.900 -0.074 0.000 1.010 8 G CA 0.651 45.652 45.100 -0.165 0.000 0.736 8 G HN 0.901 nan 8.290 nan 0.000 0.513 9 W N -0.562 120.789 121.300 0.084 0.000 2.848 9 W HA 0.188 4.848 4.660 -0.000 0.000 0.241 9 W C 1.317 177.866 176.519 0.050 0.000 1.289 9 W CA 0.550 57.968 57.345 0.121 0.000 1.396 9 W CB -0.557 29.063 29.460 0.267 0.000 1.138 9 W HN 0.382 nan 8.180 nan 0.000 0.677 10 R N 0.402 120.603 120.500 -0.498 0.000 2.308 10 R HA 0.174 4.514 4.340 -0.000 0.000 0.202 10 R C 1.639 177.810 176.300 -0.216 0.000 0.898 10 R CA 0.385 56.228 56.100 -0.428 0.000 1.046 10 R CB 0.152 30.010 30.300 -0.736 0.000 1.026 10 R HN 0.025 nan 8.270 nan 0.000 0.512 11 G N 0.601 109.298 108.800 -0.171 0.000 2.653 11 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.265 11 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.265 11 G C 0.706 175.576 174.900 -0.050 0.000 1.237 11 G CA -0.484 44.557 45.100 -0.099 0.000 0.946 11 G HN 0.048 nan 8.290 nan 0.000 0.522 12 M N -0.299 119.281 119.600 -0.033 0.000 2.065 12 M HA -0.153 4.327 4.480 -0.000 0.000 0.259 12 M C 2.432 178.730 176.300 -0.003 0.000 1.071 12 M CA 1.868 57.158 55.300 -0.016 0.000 1.109 12 M CB -0.360 32.233 32.600 -0.011 0.000 1.313 12 M HN 0.249 nan 8.290 nan 0.000 0.408 13 V N 0.386 120.301 119.914 0.002 0.000 2.343 13 V HA -0.202 3.918 4.120 -0.000 0.000 0.247 13 V C 2.587 178.699 176.094 0.030 0.000 1.051 13 V CA 2.101 64.407 62.300 0.011 0.000 1.036 13 V CB -1.704 30.129 31.823 0.017 0.000 0.654 13 V HN 0.772 nan 8.190 nan 0.000 0.451 14 G N -0.898 107.928 108.800 0.043 0.000 2.432 14 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 14 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 14 G C 1.821 176.796 174.900 0.125 0.000 1.135 14 G CA 1.139 46.302 45.100 0.105 0.000 0.767 14 G HN 0.515 nan 8.290 nan 0.000 0.550 15 S N -0.216 115.526 115.700 0.071 0.000 2.387 15 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 15 S C 2.502 177.131 174.600 0.050 0.000 1.026 15 S CA 0.928 59.169 58.200 0.068 0.000 0.972 15 S CB -0.085 63.130 63.200 0.025 0.000 0.814 15 S HN 0.194 nan 8.310 nan 0.000 0.477 16 V N 1.846 121.775 119.914 0.024 0.000 2.358 16 V HA -0.120 4.000 4.120 -0.000 0.000 0.246 16 V C 2.235 178.328 176.094 -0.002 0.000 1.047 16 V CA 1.396 63.694 62.300 -0.002 0.000 1.035 16 V CB -0.625 31.183 31.823 -0.025 0.000 0.658 16 V HN 0.356 nan 8.190 nan 0.000 0.452 17 L N -0.486 120.748 121.223 0.019 0.000 1.989 17 L HA -0.185 4.155 4.340 -0.000 0.000 0.211 17 L C 2.387 179.282 176.870 0.043 0.000 1.071 17 L CA 2.176 57.028 54.840 0.021 0.000 0.749 17 L CB -0.578 41.523 42.059 0.070 0.000 0.890 17 L HN 0.167 nan 8.230 nan 0.000 0.431 18 M N -0.741 118.927 119.600 0.114 0.000 2.108 18 M HA -0.212 4.268 4.480 -0.000 0.000 0.261 18 M C 2.001 178.379 176.300 0.128 0.000 1.066 18 M CA 1.600 57.004 55.300 0.173 0.000 1.107 18 M CB -1.500 31.220 32.600 0.200 0.000 1.356 18 M HN 0.284 nan 8.290 nan 0.000 0.406 19 D N -0.291 120.150 120.400 0.068 0.000 2.117 19 D HA -0.110 4.530 4.640 -0.000 0.000 0.197 19 D C 2.240 178.548 176.300 0.015 0.000 0.987 19 D CA 0.917 54.940 54.000 0.038 0.000 0.829 19 D CB -0.187 40.622 40.800 0.014 0.000 0.961 19 D HN 0.178 nan 8.370 nan 0.000 0.460 20 R N -0.010 120.479 120.500 -0.019 0.000 2.075 20 R HA 0.049 4.389 4.340 -0.000 0.000 0.232 20 R C 2.368 178.626 176.300 -0.070 0.000 1.126 20 R CA 0.561 56.624 56.100 -0.061 0.000 0.963 20 R CB -0.572 29.662 30.300 -0.110 0.000 0.858 20 R HN 0.336 nan 8.270 nan 0.000 0.435 21 M N 0.058 119.606 119.600 -0.087 0.000 2.159 21 M HA -0.121 4.359 4.480 -0.000 0.000 0.263 21 M C 2.228 178.483 176.300 -0.074 0.000 1.063 21 M CA 1.464 56.641 55.300 -0.205 0.000 1.110 21 M CB -0.145 32.152 32.600 -0.506 0.000 1.374 21 M HN 0.011 nan 8.290 nan 0.000 0.411 22 S N 0.113 115.876 115.700 0.105 0.000 2.368 22 S HA -0.155 4.315 4.470 -0.000 0.000 0.224 22 S C 1.799 176.437 174.600 0.063 0.000 1.029 22 S CA 1.123 59.420 58.200 0.161 0.000 0.988 22 S CB -0.256 63.024 63.200 0.133 0.000 0.838 22 S HN 0.497 nan 8.310 nan 0.000 0.462 23 Q N 0.398 120.213 119.800 0.025 0.000 2.135 23 Q HA -0.103 4.237 4.340 -0.000 0.000 0.204 23 Q C 1.271 177.272 176.000 0.001 0.000 0.981 23 Q CA 0.987 56.795 55.803 0.008 0.000 0.856 23 Q CB -0.052 28.682 28.738 -0.006 0.000 0.902 23 Q HN 0.391 nan 8.270 nan 0.000 0.425 24 E N -0.020 120.169 120.200 -0.018 0.000 2.463 24 E HA 0.046 4.395 4.350 -0.000 0.000 0.193 24 E C -0.383 176.204 176.600 -0.022 0.000 1.041 24 E CA -0.099 56.287 56.400 -0.024 0.000 0.879 24 E CB -0.002 29.669 29.700 -0.048 0.000 0.997 24 E HN 0.320 nan 8.360 nan 0.000 0.478 25 N N 1.751 120.452 118.700 0.001 0.000 2.727 25 N HA -0.172 4.568 4.740 -0.000 0.000 0.249 25 N C 0.017 175.519 175.510 -0.013 0.000 1.048 25 N CA 0.574 53.642 53.050 0.029 0.000 0.714 25 N CB -0.364 38.142 38.487 0.031 0.000 0.959 25 N HN 0.090 nan 8.380 nan 0.000 0.544 26 D N -0.688 119.638 120.400 -0.122 0.000 2.264 26 D HA -0.084 4.556 4.640 -0.000 0.000 0.208 26 D C 1.290 177.459 176.300 -0.218 0.000 0.966 26 D CA 0.934 54.805 54.000 -0.216 0.000 0.864 26 D CB -0.107 40.482 40.800 -0.352 0.000 0.933 26 D HN 0.517 nan 8.370 nan 0.000 0.499 27 F N 1.004 120.943 119.950 -0.018 0.000 2.546 27 F HA -0.033 4.494 4.527 0.000 0.000 0.298 27 F C 2.169 177.967 175.800 -0.003 0.000 1.120 27 F CA 0.436 58.428 58.000 -0.014 0.000 1.456 27 F CB 0.165 39.144 39.000 -0.035 0.000 1.088 27 F HN -0.167 nan 8.300 nan 0.000 0.572 28 E N 0.074 120.354 120.200 0.132 0.000 2.427 28 E HA -0.052 4.298 4.350 -0.000 0.000 0.196 28 E C 0.625 177.256 176.600 0.051 0.000 1.028 28 E CA 0.572 57.021 56.400 0.082 0.000 0.864 28 E CB -0.441 29.291 29.700 0.054 0.000 0.813 28 E HN 0.579 nan 8.360 nan 0.000 0.514 29 N N 0.142 118.862 118.700 0.034 0.000 2.214 29 N HA 0.145 4.885 4.740 -0.000 0.000 0.214 29 N C -0.345 175.177 175.510 0.021 0.000 1.132 29 N CA -0.071 52.986 53.050 0.013 0.000 0.856 29 N CB 0.445 38.923 38.487 -0.015 0.000 1.020 29 N HN -0.039 nan 8.380 nan 0.000 0.509 30 L N -3.832 117.426 121.223 0.058 0.000 2.671 30 L HA 0.418 4.758 4.340 -0.000 0.000 0.259 30 L C -1.366 175.574 176.870 0.117 0.000 1.021 30 L CA -1.088 53.797 54.840 0.075 0.000 0.871 30 L CB 1.435 43.540 42.059 0.076 0.000 1.472 30 L HN -0.146 nan 8.230 nan 0.000 0.410 31 N N 1.924 120.685 118.700 0.101 0.000 2.527 31 N HA 0.437 5.177 4.740 -0.000 0.000 0.236 31 N C -2.630 172.955 175.510 0.125 0.000 0.999 31 N CA -1.527 51.581 53.050 0.097 0.000 0.935 31 N CB 1.489 40.014 38.487 0.064 0.000 1.132 31 N HN 0.618 nan 8.380 nan 0.000 0.511 32 P HA 0.164 nan 4.420 nan 0.000 0.290 32 P C -0.910 176.363 177.300 -0.046 0.000 1.276 32 P CA -0.358 62.825 63.100 0.138 0.000 0.808 32 P CB 1.915 33.658 31.700 0.072 0.000 0.966 33 V N 4.856 124.717 119.914 -0.089 0.000 2.443 33 V HA 0.326 4.446 4.120 -0.000 0.000 0.293 33 V C -0.207 175.789 176.094 -0.162 0.000 1.021 33 V CA -0.426 61.827 62.300 -0.079 0.000 0.848 33 V CB 0.849 32.701 31.823 0.048 0.000 0.998 33 V HN 0.367 nan 8.190 nan 0.000 0.424 34 F N 4.627 124.520 119.950 -0.094 0.000 2.394 34 F HA 0.662 5.189 4.527 -0.000 0.000 0.340 34 F C 0.008 175.765 175.800 -0.072 0.000 1.105 34 F CA -0.267 57.657 58.000 -0.126 0.000 1.124 34 F CB 1.023 39.649 39.000 -0.624 0.000 1.145 34 F HN 0.286 nan 8.300 nan 0.000 0.505 35 F N 0.560 120.740 119.950 0.384 0.000 2.497 35 F HA 0.664 5.191 4.527 0.000 0.000 0.331 35 F C 0.398 176.427 175.800 0.381 0.000 1.060 35 F CA -0.713 57.459 58.000 0.287 0.000 0.989 35 F CB 2.083 41.148 39.000 0.108 0.000 1.245 35 F HN 0.298 nan 8.300 nan 0.000 0.486 36 T N -1.267 113.478 114.554 0.319 0.000 2.883 36 T HA 0.395 4.745 4.350 -0.000 0.000 0.301 36 T C 0.288 175.045 174.700 0.094 0.000 1.158 36 T CA -0.067 62.136 62.100 0.171 0.000 1.007 36 T CB 1.372 70.335 68.868 0.158 0.000 1.186 36 T HN 0.756 nan 8.240 nan 0.000 0.499 37 T N -0.613 113.973 114.554 0.053 0.000 3.001 37 T HA 0.304 4.654 4.350 -0.000 0.000 0.251 37 T C 1.062 175.875 174.700 0.188 0.000 1.040 37 T CA 0.125 62.321 62.100 0.159 0.000 0.985 37 T CB 0.115 69.087 68.868 0.173 0.000 1.011 37 T HN 0.478 nan 8.240 nan 0.000 0.509 38 S N 1.110 116.871 115.700 0.102 0.000 2.585 38 S HA 0.321 4.791 4.470 -0.000 0.000 0.273 38 S C -0.038 174.615 174.600 0.089 0.000 1.339 38 S CA -0.572 57.675 58.200 0.078 0.000 1.028 38 S CB 0.579 63.800 63.200 0.035 0.000 0.906 38 S HN 0.559 nan 8.310 nan 0.000 0.528 56 K N 1.058 121.271 120.400 -0.311 0.000 2.120 56 K HA 0.645 4.965 4.320 -0.000 0.000 0.245 56 K C 0.032 176.563 176.600 -0.115 0.000 1.024 56 K CA -0.218 55.873 56.287 -0.327 0.000 0.906 56 K CB 0.892 32.975 32.500 -0.695 0.000 1.051 56 K HN 0.447 nan 8.250 nan 0.000 0.491 57 S N 0.389 116.150 115.700 0.101 0.000 2.489 57 S HA 0.345 4.815 4.470 -0.000 0.000 0.277 57 S C 0.913 175.778 174.600 0.441 0.000 1.230 57 S CA -0.398 57.951 58.200 0.249 0.000 1.053 57 S CB 0.656 64.003 63.200 0.245 0.000 0.955 57 S HN 0.573 nan 8.310 nan 0.000 0.488 58 A N 4.601 127.579 122.820 0.263 0.000 2.125 58 A HA 0.070 4.390 4.320 -0.000 0.000 0.219 58 A C 1.014 178.545 177.584 -0.088 0.000 1.156 58 A CA 1.189 53.255 52.037 0.049 0.000 0.671 58 A CB -0.542 18.271 19.000 -0.312 0.000 0.794 58 A HN 0.835 nan 8.150 nan 0.000 0.459 59 F N -0.478 119.647 119.950 0.292 0.000 2.749 59 F HA 0.173 4.700 4.527 -0.000 0.000 0.300 59 F C 0.667 176.540 175.800 0.121 0.000 1.103 59 F CA -0.845 57.261 58.000 0.177 0.000 1.342 59 F CB 0.229 39.313 39.000 0.140 0.000 1.098 59 F HN 0.068 nan 8.300 nan 0.000 0.586 60 D N 2.009 122.581 120.400 0.288 0.000 2.416 60 D HA 0.026 4.666 4.640 -0.000 0.000 0.240 60 D C 1.553 177.937 176.300 0.140 0.000 1.250 60 D CA 0.220 54.345 54.000 0.209 0.000 0.967 60 D CB 0.320 41.252 40.800 0.220 0.000 1.059 60 D HN 0.029 nan 8.370 nan 0.000 0.512 61 I N 2.600 123.221 120.570 0.085 0.000 2.423 61 I HA -0.204 3.966 4.170 -0.000 0.000 0.254 61 I C 1.933 178.052 176.117 0.004 0.000 1.151 61 I CA 0.884 62.190 61.300 0.009 0.000 1.421 61 I CB -0.504 37.493 38.000 -0.004 0.000 1.079 61 I HN 0.398 nan 8.210 nan 0.000 0.431 62 E N 0.642 120.871 120.200 0.048 0.000 2.152 62 E HA -0.155 4.195 4.350 -0.000 0.000 0.192 62 E C 2.056 178.701 176.600 0.075 0.000 0.983 62 E CA 0.699 57.131 56.400 0.053 0.000 0.818 62 E CB -0.041 29.695 29.700 0.060 0.000 0.758 62 E HN 0.447 nan 8.360 nan 0.000 0.467 63 E N 0.594 120.868 120.200 0.123 0.000 2.072 63 E HA -0.050 4.300 4.350 -0.000 0.000 0.190 63 E C 2.398 179.115 176.600 0.193 0.000 0.982 63 E CA 0.354 56.875 56.400 0.201 0.000 0.803 63 E CB -0.198 29.700 29.700 0.330 0.000 0.755 63 E HN 0.264 nan 8.360 nan 0.000 0.453 64 L N 0.804 122.051 121.223 0.040 0.000 2.046 64 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 64 L C 2.616 179.319 176.870 -0.279 0.000 1.077 64 L CA 1.173 55.872 54.840 -0.236 0.000 0.747 64 L CB -0.405 41.422 42.059 -0.385 0.000 0.896 64 L HN 0.045 nan 8.230 nan 0.000 0.432 65 K N 0.849 121.123 120.400 -0.209 0.000 2.360 65 K HA -0.187 4.133 4.320 -0.000 0.000 0.201 65 K C 1.634 178.331 176.600 0.161 0.000 1.046 65 K CA 1.214 57.438 56.287 -0.104 0.000 0.940 65 K CB 0.116 32.630 32.500 0.025 0.000 0.748 65 K HN 0.274 nan 8.250 nan 0.000 0.465 66 K N 0.149 120.622 120.400 0.122 0.000 2.444 66 K HA 0.118 4.438 4.320 -0.000 0.000 0.193 66 K C 0.165 176.879 176.600 0.189 0.000 1.024 66 K CA 0.081 56.463 56.287 0.158 0.000 1.077 66 K CB 0.242 32.815 32.500 0.122 0.000 0.833 66 K HN 0.077 nan 8.250 nan 0.000 0.517 67 L N 0.650 122.006 121.223 0.222 0.000 2.375 67 L HA 0.162 4.502 4.340 -0.000 0.000 0.268 67 L C 0.744 177.851 176.870 0.394 0.000 1.058 67 L CA -0.682 54.298 54.840 0.233 0.000 0.803 67 L CB 0.962 43.099 42.059 0.130 0.000 1.212 67 L HN -0.028 nan 8.230 nan 0.000 0.451 68 D N 0.888 121.444 120.400 0.260 0.000 2.162 68 D HA 0.193 4.833 4.640 -0.000 0.000 0.205 68 D C 0.377 176.877 176.300 0.334 0.000 0.964 68 D CA 1.398 55.542 54.000 0.240 0.000 0.847 68 D CB 0.610 41.490 40.800 0.133 0.000 0.988 68 D HN 0.264 nan 8.370 nan 0.000 0.480 69 I N 0.756 121.487 120.570 0.269 0.000 2.730 69 I HA 0.257 4.427 4.170 -0.000 0.000 0.298 69 I C -0.883 175.279 176.117 0.075 0.000 1.089 69 I CA -0.843 60.608 61.300 0.251 0.000 1.041 69 I CB 3.125 41.151 38.000 0.043 0.000 1.235 69 I HN -0.290 nan 8.210 nan 0.000 0.423 70 I N 5.277 125.865 120.570 0.031 0.000 2.418 70 I HA 0.358 4.528 4.170 -0.000 0.000 0.287 70 I C -0.498 175.309 176.117 -0.517 0.000 1.008 70 I CA -0.673 60.409 61.300 -0.363 0.000 1.104 70 I CB 1.825 39.498 38.000 -0.545 0.000 1.264 70 I HN 0.141 nan 8.210 nan 0.000 0.438 71 V N 5.319 124.886 119.914 -0.578 0.000 2.357 71 V HA 0.434 4.554 4.120 -0.000 0.000 0.284 71 V C 0.254 176.130 176.094 -0.364 0.000 1.018 71 V CA -0.358 61.677 62.300 -0.440 0.000 0.841 71 V CB 1.710 33.301 31.823 -0.386 0.000 0.991 71 V HN 0.831 nan 8.190 nan 0.000 0.437 72 T N 3.909 118.241 114.554 -0.369 0.000 2.824 72 T HA 0.337 4.687 4.350 -0.000 0.000 0.282 72 T C 0.106 174.756 174.700 -0.083 0.000 0.993 72 T CA -0.265 61.685 62.100 -0.249 0.000 0.967 72 T CB 1.017 69.687 68.868 -0.330 0.000 0.960 72 T HN 0.690 nan 8.240 nan 0.000 0.441 73 C N 4.042 123.320 119.300 -0.037 0.000 3.255 73 C HA 0.268 4.728 4.460 -0.000 0.000 0.282 73 C C 2.008 176.984 174.990 -0.024 0.000 1.441 73 C CA -0.466 58.555 59.018 0.005 0.000 1.785 73 C CB -0.629 27.136 27.740 0.040 0.000 2.583 73 C HN 0.970 nan 8.230 nan 0.000 0.615 74 Q N 2.041 121.786 119.800 -0.092 0.000 2.084 74 Q HA 0.256 4.596 4.340 -0.000 0.000 0.202 74 Q C 1.041 177.049 176.000 0.015 0.000 0.978 74 Q CA 2.062 57.783 55.803 -0.136 0.000 0.844 74 Q CB -0.073 28.387 28.738 -0.463 0.000 0.898 74 Q HN 0.689 nan 8.270 nan 0.000 0.426 75 G N -3.653 105.210 108.800 0.104 0.000 2.340 75 G HA2 0.175 4.135 3.960 -0.000 0.000 0.527 75 G HA3 0.175 4.135 3.960 -0.000 0.000 0.527 75 G C 0.430 175.449 174.900 0.198 0.000 1.381 75 G CA -0.223 44.958 45.100 0.135 0.000 1.001 75 G HN 0.320 nan 8.290 nan 0.000 0.626 76 G N -0.497 108.391 108.800 0.147 0.000 2.440 76 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.218 76 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.218 76 G C 1.219 176.200 174.900 0.136 0.000 1.154 76 G CA 2.041 47.220 45.100 0.132 0.000 0.767 76 G HN 0.699 nan 8.290 nan 0.000 0.552 77 D N -0.662 119.823 120.400 0.142 0.000 2.144 77 D HA -0.112 4.528 4.640 -0.000 0.000 0.199 77 D C 1.915 178.322 176.300 0.178 0.000 0.984 77 D CA 0.823 54.902 54.000 0.133 0.000 0.834 77 D CB -0.281 40.594 40.800 0.124 0.000 0.955 77 D HN 0.439 nan 8.370 nan 0.000 0.465 78 Y N 1.859 122.245 120.300 0.144 0.000 2.133 78 Y HA -0.227 4.323 4.550 -0.000 0.000 0.287 78 Y C 2.383 178.405 175.900 0.204 0.000 1.134 78 Y CA 1.907 60.122 58.100 0.191 0.000 1.133 78 Y CB -0.510 38.039 38.460 0.150 0.000 0.987 78 Y HN -0.145 nan 8.280 nan 0.000 0.502 79 T N 1.102 115.819 114.554 0.271 0.000 2.652 79 T HA -0.203 4.147 4.350 -0.000 0.000 0.267 79 T C 1.553 176.237 174.700 -0.027 0.000 1.039 79 T CA 1.669 63.880 62.100 0.185 0.000 1.153 79 T CB -0.425 68.595 68.868 0.253 0.000 0.863 79 T HN 0.400 nan 8.240 nan 0.000 0.428 80 N N 0.838 119.541 118.700 0.005 0.000 2.519 80 N HA -0.076 4.664 4.740 -0.000 0.000 0.186 80 N C 1.752 177.242 175.510 -0.034 0.000 1.062 80 N CA 0.695 53.737 53.050 -0.013 0.000 0.910 80 N CB -0.083 38.408 38.487 0.006 0.000 0.958 80 N HN 0.622 nan 8.380 nan 0.000 0.445 81 E N 0.120 120.284 120.200 -0.059 0.000 2.065 81 E HA 0.009 4.359 4.350 -0.000 0.000 0.191 81 E C 1.631 178.157 176.600 -0.123 0.000 0.960 81 E CA 0.332 56.691 56.400 -0.069 0.000 0.824 81 E CB 0.338 30.021 29.700 -0.027 0.000 0.793 81 E HN -0.049 nan 8.360 nan 0.000 0.459 82 V N 0.830 120.597 119.914 -0.244 0.000 2.446 82 V HA -0.175 3.945 4.120 -0.000 0.000 0.244 82 V C 2.100 178.056 176.094 -0.230 0.000 1.039 82 V CA 1.564 63.714 62.300 -0.250 0.000 1.045 82 V CB -0.676 30.866 31.823 -0.469 0.000 0.681 82 V HN 0.371 nan 8.190 nan 0.000 0.459 83 Y N 3.067 123.066 120.300 -0.502 0.000 2.014 83 Y HA -0.211 4.339 4.550 -0.000 0.000 0.272 83 Y C 0.182 175.832 175.900 -0.417 0.000 1.164 83 Y CA 2.738 60.369 58.100 -0.782 0.000 1.114 83 Y CB -1.706 36.104 38.460 -1.083 0.000 0.961 83 Y HN 0.274 nan 8.280 nan 0.000 0.489 84 P HA -0.211 nan 4.420 nan 0.000 0.216 84 P C 1.177 178.318 177.300 -0.265 0.000 1.150 84 P CA 2.132 65.028 63.100 -0.341 0.000 0.837 84 P CB -0.142 31.472 31.700 -0.143 0.000 0.786 85 K N -0.736 119.544 120.400 -0.200 0.000 2.097 85 K HA -0.107 4.213 4.320 -0.000 0.000 0.205 85 K C 2.171 178.687 176.600 -0.140 0.000 1.050 85 K CA 0.773 56.978 56.287 -0.137 0.000 0.938 85 K CB -0.448 31.994 32.500 -0.097 0.000 0.718 85 K HN 0.021 nan 8.250 nan 0.000 0.442 86 L N 1.266 122.373 121.223 -0.195 0.000 2.131 86 L HA -0.082 4.258 4.340 -0.000 0.000 0.206 86 L C 1.745 178.568 176.870 -0.078 0.000 1.087 86 L CA 1.607 56.346 54.840 -0.168 0.000 0.767 86 L CB -0.144 41.751 42.059 -0.274 0.000 0.917 86 L HN -0.069 nan 8.230 nan 0.000 0.441 87 K N 0.130 120.411 120.400 -0.198 0.000 2.147 87 K HA -0.017 4.303 4.320 -0.000 0.000 0.205 87 K C 2.027 178.575 176.600 -0.086 0.000 1.049 87 K CA 1.222 57.422 56.287 -0.145 0.000 0.936 87 K CB -0.610 31.622 32.500 -0.447 0.000 0.722 87 K HN 0.462 nan 8.250 nan 0.000 0.446 88 A N 1.400 124.155 122.820 -0.107 0.000 2.014 88 A HA -0.109 4.211 4.320 -0.000 0.000 0.218 88 A C 2.170 179.739 177.584 -0.025 0.000 1.163 88 A CA 1.942 53.938 52.037 -0.068 0.000 0.652 88 A CB -0.827 18.128 19.000 -0.076 0.000 0.808 88 A HN 0.469 nan 8.150 nan 0.000 0.449 89 T N -3.882 110.671 114.554 -0.002 0.000 3.155 89 T HA 0.311 4.661 4.350 -0.000 0.000 0.264 89 T C 1.411 176.144 174.700 0.055 0.000 1.160 89 T CA 1.233 63.350 62.100 0.028 0.000 1.075 89 T CB -0.343 68.551 68.868 0.042 0.000 0.921 89 T HN 1.699 nan 8.240 nan 0.000 0.533 90 G N 0.215 109.047 108.800 0.053 0.000 2.157 90 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.239 90 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.239 90 G C -0.131 174.821 174.900 0.088 0.000 0.982 90 G CA -0.215 44.910 45.100 0.042 0.000 0.650 90 G HN 0.723 nan 8.290 nan 0.000 0.527 91 W N 1.737 123.004 121.300 -0.055 0.000 2.435 91 W HA 0.395 5.055 4.660 -0.000 0.000 0.337 91 W C 0.789 177.278 176.519 -0.050 0.000 1.300 91 W CA 0.801 58.124 57.345 -0.036 0.000 1.298 91 W CB 0.563 30.009 29.460 -0.024 0.000 1.217 91 W HN 0.149 nan 8.180 nan 0.000 0.565 92 D N 3.415 123.475 120.400 -0.566 0.000 2.369 92 D HA 0.154 4.794 4.640 -0.000 0.000 0.211 92 D C 1.207 176.934 176.300 -0.955 0.000 1.077 92 D CA 0.561 54.196 54.000 -0.608 0.000 0.842 92 D CB -0.105 40.508 40.800 -0.312 0.000 0.947 92 D HN 0.367 nan 8.370 nan 0.000 0.509 93 G N -0.751 107.002 108.800 -1.746 0.000 2.553 93 G HA2 0.257 4.217 3.960 -0.000 0.000 0.278 93 G HA3 0.257 4.217 3.960 -0.000 0.000 0.278 93 G C -0.796 173.392 174.900 -1.187 0.000 1.349 93 G CA -0.407 43.939 45.100 -1.256 0.000 1.037 93 G HN 0.109 nan 8.290 nan 0.000 0.508 94 Y N -1.132 119.007 120.300 -0.269 0.000 2.342 94 Y HA 0.363 4.913 4.550 -0.000 0.000 0.334 94 Y C -0.182 176.038 175.900 0.534 0.000 1.067 94 Y CA -0.763 57.412 58.100 0.125 0.000 1.128 94 Y CB 1.601 40.148 38.460 0.146 0.000 1.200 94 Y HN 0.473 nan 8.280 nan 0.000 0.464 95 W N 5.728 127.348 121.300 0.533 0.000 2.296 95 W HA 0.607 5.267 4.660 -0.000 0.000 0.316 95 W C -1.885 174.819 176.519 0.308 0.000 1.022 95 W CA -0.937 56.692 57.345 0.474 0.000 1.324 95 W CB 1.176 30.958 29.460 0.535 0.000 1.227 95 W HN 0.233 nan 8.180 nan 0.000 0.409 96 V N 6.661 126.570 119.914 -0.009 0.000 2.370 96 V HA 0.234 4.354 4.120 -0.000 0.000 0.283 96 V C -0.232 175.773 176.094 -0.147 0.000 1.023 96 V CA -0.214 62.108 62.300 0.037 0.000 0.857 96 V CB 1.442 33.265 31.823 -0.001 0.000 0.985 96 V HN 0.394 nan 8.190 nan 0.000 0.443 97 D N 2.968 123.403 120.400 0.058 0.000 2.619 97 D HA 0.658 5.298 4.640 -0.000 0.000 0.241 97 D C 0.376 176.734 176.300 0.097 0.000 1.087 97 D CA -0.291 53.759 54.000 0.084 0.000 0.851 97 D CB 2.699 43.699 40.800 0.333 0.000 1.474 97 D HN 0.480 nan 8.370 nan 0.000 0.478 98 A N 2.003 124.868 122.820 0.075 0.000 2.169 98 A HA 0.506 4.826 4.320 -0.000 0.000 0.210 98 A C 0.963 178.600 177.584 0.088 0.000 1.168 98 A CA 0.573 52.653 52.037 0.072 0.000 0.813 98 A CB 0.045 19.076 19.000 0.051 0.000 0.861 98 A HN 0.538 nan 8.150 nan 0.000 0.481 99 A N 0.230 123.116 122.820 0.109 0.000 2.351 99 A HA 0.471 4.791 4.320 -0.000 0.000 0.257 99 A C 1.457 179.104 177.584 0.104 0.000 1.087 99 A CA 0.349 52.452 52.037 0.110 0.000 0.798 99 A CB 0.245 19.325 19.000 0.133 0.000 1.033 99 A HN 0.884 nan 8.150 nan 0.000 0.488 100 S N 0.971 116.727 115.700 0.093 0.000 2.522 100 S HA 0.089 4.559 4.470 -0.000 0.000 0.227 100 S C 1.779 176.420 174.600 0.068 0.000 0.986 100 S CA 0.907 59.159 58.200 0.087 0.000 0.929 100 S CB -0.569 62.688 63.200 0.095 0.000 0.769 100 S HN 1.347 nan 8.310 nan 0.000 0.529 101 A N 2.650 125.504 122.820 0.057 0.000 1.896 101 A HA -0.081 4.239 4.320 -0.000 0.000 0.220 101 A C 2.123 179.698 177.584 -0.015 0.000 1.206 101 A CA 1.967 54.018 52.037 0.023 0.000 0.647 101 A CB -0.905 18.108 19.000 0.021 0.000 0.828 101 A HN 0.630 nan 8.150 nan 0.000 0.455 102 L N -2.016 119.179 121.223 -0.048 0.000 2.607 102 L HA 0.118 4.458 4.340 -0.000 0.000 0.228 102 L C 2.309 179.157 176.870 -0.038 0.000 1.123 102 L CA -0.073 54.707 54.840 -0.100 0.000 0.890 102 L CB -0.289 41.607 42.059 -0.271 0.000 1.103 102 L HN 0.308 nan 8.230 nan 0.000 0.468 103 R N 0.582 121.090 120.500 0.014 0.000 2.134 103 R HA -0.185 4.155 4.340 -0.000 0.000 0.248 103 R C 1.477 177.793 176.300 0.027 0.000 1.143 103 R CA 1.497 57.617 56.100 0.033 0.000 0.957 103 R CB -0.196 30.145 30.300 0.068 0.000 0.867 103 R HN 0.273 nan 8.270 nan 0.000 0.441 104 M N 0.681 120.311 119.600 0.050 0.000 2.505 104 M HA 0.114 4.594 4.480 -0.000 0.000 0.230 104 M C -0.233 176.083 176.300 0.027 0.000 1.153 104 M CA 0.099 55.433 55.300 0.057 0.000 0.997 104 M CB -0.096 32.584 32.600 0.134 0.000 1.606 104 M HN -0.245 nan 8.290 nan 0.000 0.481 105 K N 1.416 121.815 120.400 -0.001 0.000 2.270 105 K HA 0.066 4.386 4.320 -0.000 0.000 0.276 105 K C 0.833 177.421 176.600 -0.020 0.000 1.023 105 K CA 0.045 56.325 56.287 -0.010 0.000 0.955 105 K CB 0.542 33.026 32.500 -0.026 0.000 0.975 105 K HN -0.021 nan 8.250 nan 0.000 0.471 106 D N 1.157 121.548 120.400 -0.014 0.000 2.309 106 D HA -0.140 4.500 4.640 -0.000 0.000 0.212 106 D C 0.289 176.566 176.300 -0.039 0.000 0.968 106 D CA 1.089 55.075 54.000 -0.022 0.000 0.882 106 D CB 0.148 40.939 40.800 -0.014 0.000 0.918 106 D HN 0.596 nan 8.370 nan 0.000 0.503 107 D N -0.460 119.915 120.400 -0.042 0.000 2.427 107 D HA 0.258 4.897 4.640 -0.000 0.000 0.224 107 D C -0.062 176.174 176.300 -0.107 0.000 1.157 107 D CA -0.345 53.618 54.000 -0.062 0.000 0.828 107 D CB 0.012 40.790 40.800 -0.037 0.000 0.974 107 D HN -0.035 nan 8.370 nan 0.000 0.498 108 A N 0.198 122.948 122.820 -0.117 0.000 2.435 108 A HA 0.712 5.031 4.320 -0.000 0.000 0.304 108 A C -0.920 176.558 177.584 -0.176 0.000 1.064 108 A CA -0.789 51.144 52.037 -0.173 0.000 0.727 108 A CB 1.492 20.426 19.000 -0.110 0.000 1.284 108 A HN 0.206 nan 8.150 nan 0.000 0.415 109 I N 1.956 122.370 120.570 -0.260 0.000 2.509 109 I HA 0.349 4.519 4.170 -0.000 0.000 0.293 109 I C -0.731 175.395 176.117 0.014 0.000 1.020 109 I CA -0.525 60.702 61.300 -0.122 0.000 1.088 109 I CB 1.911 39.840 38.000 -0.119 0.000 1.267 109 I HN 0.526 nan 8.210 nan 0.000 0.430 110 I N 6.555 127.153 120.570 0.045 0.000 2.352 110 I HA 0.179 4.349 4.170 -0.000 0.000 0.290 110 I C 0.057 176.243 176.117 0.116 0.000 1.036 110 I CA -0.667 60.678 61.300 0.076 0.000 1.336 110 I CB 1.135 39.157 38.000 0.036 0.000 1.407 110 I HN 0.268 nan 8.210 nan 0.000 0.497 111 V N 5.717 125.723 119.914 0.154 0.000 2.481 111 V HA 0.603 4.723 4.120 -0.000 0.000 0.286 111 V C -0.390 175.766 176.094 0.104 0.000 1.042 111 V CA -0.589 61.800 62.300 0.148 0.000 0.928 111 V CB 1.708 33.634 31.823 0.171 0.000 0.986 111 V HN 0.640 nan 8.190 nan 0.000 0.462 112 L N 3.985 125.260 121.223 0.087 0.000 2.399 112 L HA 0.345 4.685 4.340 -0.000 0.000 0.266 112 L C 0.829 177.737 176.870 0.062 0.000 1.516 112 L CA 0.632 55.516 54.840 0.074 0.000 0.715 112 L CB 0.488 42.565 42.059 0.030 0.000 0.933 112 L HN 0.947 nan 8.230 nan 0.000 0.524 113 D N -0.381 120.067 120.400 0.080 0.000 2.220 113 D HA -0.220 4.420 4.640 -0.000 0.000 0.198 113 D C -1.148 175.202 176.300 0.083 0.000 1.001 113 D CA 1.577 55.622 54.000 0.075 0.000 0.875 113 D CB -0.521 40.318 40.800 0.065 0.000 0.921 113 D HN 0.417 nan 8.370 nan 0.000 0.454 114 P HA -0.035 nan 4.420 nan 0.000 0.223 114 P C 1.226 178.599 177.300 0.123 0.000 1.151 114 P CA 0.673 63.840 63.100 0.111 0.000 0.787 114 P CB 0.251 31.991 31.700 0.067 0.000 0.788 115 V N -0.123 119.864 119.914 0.121 0.000 2.788 115 V HA 0.047 4.167 4.120 -0.000 0.000 0.241 115 V C 1.219 177.377 176.094 0.107 0.000 1.083 115 V CA 1.428 63.830 62.300 0.170 0.000 1.103 115 V CB -0.582 31.266 31.823 0.042 0.000 0.800 115 V HN 0.232 nan 8.190 nan 0.000 0.476 116 N N 0.048 118.792 118.700 0.073 0.000 2.480 116 N HA 0.070 4.810 4.740 -0.000 0.000 0.281 116 N C 1.038 176.605 175.510 0.094 0.000 1.381 116 N CA -0.162 52.934 53.050 0.078 0.000 0.903 116 N CB 0.591 39.110 38.487 0.053 0.000 1.274 116 N HN 0.269 nan 8.380 nan 0.000 0.505 117 Q N 0.408 120.262 119.800 0.090 0.000 2.152 117 Q HA -0.219 4.121 4.340 -0.000 0.000 0.206 117 Q C 1.639 177.688 176.000 0.082 0.000 0.985 117 Q CA 1.724 57.572 55.803 0.074 0.000 0.863 117 Q CB -0.536 28.241 28.738 0.064 0.000 0.904 117 Q HN 0.629 nan 8.270 nan 0.000 0.422 118 H N -1.005 118.084 119.070 0.032 0.000 2.357 118 H HA -0.057 4.499 4.556 -0.000 0.000 0.301 118 H C 1.816 177.170 175.328 0.044 0.000 1.082 118 H CA 1.716 57.782 56.048 0.031 0.000 1.342 118 H CB 0.181 29.958 29.762 0.024 0.000 1.389 118 H HN 0.220 nan 8.280 nan 0.000 0.511 119 V N 1.378 121.382 119.914 0.150 0.000 2.343 119 V HA -0.262 3.858 4.120 -0.000 0.000 0.247 119 V C 2.824 178.971 176.094 0.088 0.000 1.051 119 V CA 1.732 64.097 62.300 0.107 0.000 1.036 119 V CB -0.494 31.388 31.823 0.098 0.000 0.654 119 V HN 0.350 nan 8.190 nan 0.000 0.451 120 I N -0.289 120.344 120.570 0.106 0.000 2.179 120 I HA -0.218 3.952 4.170 -0.000 0.000 0.242 120 I C 2.583 178.754 176.117 0.090 0.000 1.088 120 I CA 1.659 63.054 61.300 0.159 0.000 1.357 120 I CB -0.438 37.612 38.000 0.084 0.000 1.051 120 I HN 0.263 nan 8.210 nan 0.000 0.409 121 S N 0.303 115.993 115.700 -0.017 0.000 2.356 121 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 121 S C 1.904 176.462 174.600 -0.070 0.000 1.032 121 S CA 1.179 59.338 58.200 -0.068 0.000 1.005 121 S CB -0.252 62.870 63.200 -0.130 0.000 0.867 121 S HN 0.399 nan 8.310 nan 0.000 0.449 122 E N 0.981 121.099 120.200 -0.137 0.000 2.077 122 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 122 E C 2.367 178.975 176.600 0.013 0.000 0.989 122 E CA 1.188 57.532 56.400 -0.093 0.000 0.800 122 E CB -0.866 28.769 29.700 -0.108 0.000 0.746 122 E HN 0.560 nan 8.360 nan 0.000 0.452 123 G N 1.164 110.007 108.800 0.072 0.000 2.422 123 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 123 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 123 G C 1.770 176.794 174.900 0.207 0.000 1.146 123 G CA 0.500 45.677 45.100 0.129 0.000 0.769 123 G HN 0.150 nan 8.290 nan 0.000 0.547 124 L N -0.223 121.146 121.223 0.244 0.000 2.027 124 L HA -0.026 4.314 4.340 -0.000 0.000 0.206 124 L C 2.966 179.920 176.870 0.141 0.000 1.074 124 L CA 1.328 56.316 54.840 0.248 0.000 0.745 124 L CB -0.281 41.846 42.059 0.113 0.000 0.898 124 L HN 0.153 nan 8.230 nan 0.000 0.433 125 K N 0.015 120.457 120.400 0.071 0.000 2.147 125 K HA -0.223 4.097 4.320 -0.000 0.000 0.205 125 K C 2.110 178.733 176.600 0.038 0.000 1.049 125 K CA 1.161 57.472 56.287 0.039 0.000 0.936 125 K CB -0.083 32.422 32.500 0.008 0.000 0.722 125 K HN 0.167 nan 8.250 nan 0.000 0.446 126 K N -0.195 120.230 120.400 0.041 0.000 2.217 126 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 126 K C 0.778 177.390 176.600 0.021 0.000 1.051 126 K CA 1.343 57.645 56.287 0.025 0.000 0.952 126 K CB 0.259 32.771 32.500 0.020 0.000 0.736 126 K HN 0.298 nan 8.250 nan 0.000 0.453 127 G N 0.688 109.515 108.800 0.046 0.000 2.159 127 G HA2 -0.108 3.852 3.960 -0.000 0.000 0.170 127 G HA3 -0.108 3.852 3.960 -0.000 0.000 0.170 127 G C -0.102 174.795 174.900 -0.005 0.000 1.007 127 G CA -0.266 44.844 45.100 0.017 0.000 0.672 127 G HN 0.128 nan 8.290 nan 0.000 0.507 128 I N 0.821 121.414 120.570 0.038 0.000 2.683 128 I HA 0.167 4.337 4.170 -0.000 0.000 0.286 128 I C 1.049 177.167 176.117 0.002 0.000 1.175 128 I CA 0.625 61.894 61.300 -0.051 0.000 1.429 128 I CB 1.145 39.056 38.000 -0.148 0.000 1.371 128 I HN -0.004 nan 8.210 nan 0.000 0.569 129 K N 3.626 123.943 120.400 -0.138 0.000 2.402 129 K HA 0.183 4.503 4.320 -0.000 0.000 0.204 129 K C -0.059 176.588 176.600 0.080 0.000 1.056 129 K CA 0.223 56.400 56.287 -0.184 0.000 1.069 129 K CB 0.694 32.956 32.500 -0.396 0.000 0.888 129 K HN 0.502 nan 8.250 nan 0.000 0.546 130 T N 1.423 115.919 114.554 -0.097 0.000 2.815 130 T HA 0.524 4.874 4.350 -0.000 0.000 0.289 130 T C -0.943 173.577 174.700 -0.299 0.000 1.000 130 T CA -0.392 61.727 62.100 0.032 0.000 0.958 130 T CB 0.494 69.388 68.868 0.045 0.000 0.944 130 T HN -0.165 nan 8.240 nan 0.000 0.442 131 F N 2.280 122.363 119.950 0.221 0.000 2.493 131 F HA 0.644 5.171 4.527 -0.000 0.000 0.329 131 F C -0.118 175.761 175.800 0.132 0.000 1.126 131 F CA -0.986 57.102 58.000 0.146 0.000 0.937 131 F CB 1.649 40.723 39.000 0.123 0.000 1.146 131 F HN 0.193 nan 8.300 nan 0.000 0.442 132 V N 2.060 122.102 119.914 0.213 0.000 2.680 132 V HA 0.718 4.838 4.120 -0.000 0.000 0.309 132 V C 0.410 176.587 176.094 0.138 0.000 1.052 132 V CA -1.116 61.281 62.300 0.161 0.000 0.908 132 V CB 1.695 33.582 31.823 0.106 0.000 1.001 132 V HN 0.895 nan 8.190 nan 0.000 0.431 133 G N 1.926 110.797 108.800 0.117 0.000 2.544 133 G HA2 0.499 4.459 3.960 -0.000 0.000 0.242 133 G HA3 0.499 4.459 3.960 -0.000 0.000 0.242 133 G C 0.343 175.298 174.900 0.091 0.000 1.247 133 G CA 0.316 45.475 45.100 0.100 0.000 0.840 133 G HN 1.091 nan 8.290 nan 0.000 0.578 134 G N -0.361 108.489 108.800 0.084 0.000 2.522 134 G HA2 0.377 4.337 3.960 -0.000 0.000 0.304 134 G HA3 0.377 4.337 3.960 -0.000 0.000 0.304 134 G C 0.157 175.107 174.900 0.084 0.000 1.210 134 G CA -0.701 44.443 45.100 0.073 0.000 0.960 134 G HN 0.819 nan 8.290 nan 0.000 0.497 135 N N -1.189 117.561 118.700 0.083 0.000 2.356 135 N HA -0.050 4.690 4.740 -0.000 0.000 0.252 135 N C 1.779 177.360 175.510 0.117 0.000 1.241 135 N CA 0.394 53.506 53.050 0.103 0.000 0.861 135 N CB 0.539 39.086 38.487 0.100 0.000 1.075 135 N HN 0.568 nan 8.380 nan 0.000 0.461 136 C N 0.935 120.326 119.300 0.151 0.000 2.413 136 C HA -0.151 4.309 4.460 -0.000 0.000 0.276 136 C C 2.558 177.684 174.990 0.227 0.000 1.248 136 C CA 1.254 60.383 59.018 0.185 0.000 1.742 136 C CB -2.018 25.846 27.740 0.207 0.000 2.017 136 C HN 0.875 nan 8.230 nan 0.000 0.481 137 T N 0.084 114.777 114.554 0.231 0.000 2.777 137 T HA -0.105 4.245 4.350 -0.000 0.000 0.266 137 T C 1.670 176.455 174.700 0.142 0.000 1.040 137 T CA 1.816 64.028 62.100 0.186 0.000 1.141 137 T CB -0.886 68.040 68.868 0.097 0.000 0.868 137 T HN 0.411 nan 8.240 nan 0.000 0.444 138 V N 1.789 121.761 119.914 0.096 0.000 2.358 138 V HA -0.139 3.981 4.120 -0.000 0.000 0.246 138 V C 3.088 179.195 176.094 0.021 0.000 1.047 138 V CA 2.007 64.331 62.300 0.040 0.000 1.035 138 V CB -0.863 30.959 31.823 -0.001 0.000 0.658 138 V HN 0.542 nan 8.190 nan 0.000 0.452 139 S N 0.296 116.026 115.700 0.050 0.000 2.356 139 S HA -0.110 4.360 4.470 -0.000 0.000 0.223 139 S C 1.916 176.537 174.600 0.036 0.000 1.032 139 S CA 1.473 59.696 58.200 0.039 0.000 1.005 139 S CB -0.385 62.870 63.200 0.092 0.000 0.867 139 S HN 0.462 nan 8.310 nan 0.000 0.449 140 L N 1.077 122.358 121.223 0.096 0.000 2.131 140 L HA -0.093 4.247 4.340 -0.000 0.000 0.210 140 L C 2.568 179.501 176.870 0.104 0.000 1.092 140 L CA 1.142 56.042 54.840 0.100 0.000 0.759 140 L CB -0.497 41.650 42.059 0.147 0.000 0.903 140 L HN 0.400 nan 8.230 nan 0.000 0.435 141 M N -0.050 119.636 119.600 0.143 0.000 2.099 141 M HA -0.188 4.292 4.480 -0.000 0.000 0.262 141 M C 2.203 178.535 176.300 0.054 0.000 1.067 141 M CA 1.808 57.237 55.300 0.214 0.000 1.124 141 M CB -0.013 32.705 32.600 0.196 0.000 1.353 141 M HN 0.153 nan 8.290 nan 0.000 0.410 142 L N 0.089 121.280 121.223 -0.055 0.000 2.141 142 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 142 L C 2.533 179.301 176.870 -0.169 0.000 1.094 142 L CA 0.705 55.449 54.840 -0.159 0.000 0.763 142 L CB -0.639 41.281 42.059 -0.231 0.000 0.908 142 L HN 0.432 nan 8.230 nan 0.000 0.437 143 M N -0.714 118.804 119.600 -0.137 0.000 2.394 143 M HA -0.080 4.400 4.480 -0.000 0.000 0.264 143 M C 2.350 178.603 176.300 -0.078 0.000 1.073 143 M CA 1.441 56.633 55.300 -0.179 0.000 1.111 143 M CB -1.028 31.364 32.600 -0.346 0.000 1.401 143 M HN 0.281 nan 8.290 nan 0.000 0.448 144 A N 0.582 123.394 122.820 -0.014 0.000 1.871 144 A HA 0.061 4.381 4.320 -0.000 0.000 0.211 144 A C 1.732 179.340 177.584 0.039 0.000 1.207 144 A CA 0.730 52.799 52.037 0.053 0.000 0.620 144 A CB -0.259 18.823 19.000 0.138 0.000 0.860 144 A HN 0.555 nan 8.150 nan 0.000 0.450 145 I N -3.525 117.059 120.570 0.023 0.000 3.877 145 I HA 0.411 4.581 4.170 -0.000 0.000 0.332 145 I C 1.384 177.477 176.117 -0.039 0.000 1.525 145 I CA 0.381 61.681 61.300 0.000 0.000 1.146 145 I CB -0.056 37.943 38.000 -0.001 0.000 1.137 145 I HN 0.085 nan 8.210 nan 0.000 0.424 146 G N 1.801 110.450 108.800 -0.252 0.000 2.499 146 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.221 146 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.221 146 G C 1.443 176.098 174.900 -0.409 0.000 1.109 146 G CA 0.933 45.712 45.100 -0.536 0.000 0.749 146 G HN 0.567 nan 8.290 nan 0.000 0.568 147 G N 0.764 109.437 108.800 -0.212 0.000 2.422 147 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.218 147 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.218 147 G C 1.732 176.650 174.900 0.029 0.000 1.140 147 G CA 0.635 45.775 45.100 0.067 0.000 0.775 147 G HN 0.453 nan 8.290 nan 0.000 0.545 148 L N -1.014 120.186 121.223 -0.037 0.000 2.109 148 L HA 0.103 4.443 4.340 -0.000 0.000 0.207 148 L C 2.607 179.384 176.870 -0.154 0.000 1.086 148 L CA 0.584 55.346 54.840 -0.131 0.000 0.760 148 L CB -0.396 41.516 42.059 -0.245 0.000 0.910 148 L HN 0.120 nan 8.230 nan 0.000 0.437 149 F N 0.538 120.421 119.950 -0.110 0.000 2.163 149 F HA -0.178 4.349 4.527 0.000 0.000 0.297 149 F C 2.638 178.406 175.800 -0.053 0.000 1.094 149 F CA 1.302 59.247 58.000 -0.092 0.000 1.290 149 F CB -0.241 38.695 39.000 -0.107 0.000 1.017 149 F HN 0.037 nan 8.300 nan 0.000 0.483 150 E N 0.921 121.226 120.200 0.175 0.000 2.130 150 E HA -0.206 4.144 4.350 -0.000 0.000 0.196 150 E C 1.593 178.232 176.600 0.065 0.000 0.998 150 E CA 1.454 57.933 56.400 0.132 0.000 0.806 150 E CB -0.147 29.674 29.700 0.203 0.000 0.738 150 E HN 0.021 nan 8.360 nan 0.000 0.459 151 K N 0.546 120.965 120.400 0.033 0.000 2.458 151 K HA -0.013 4.307 4.320 -0.000 0.000 0.194 151 K C -0.032 176.551 176.600 -0.027 0.000 1.024 151 K CA 0.753 57.038 56.287 -0.004 0.000 1.108 151 K CB -0.011 32.476 32.500 -0.021 0.000 0.846 151 K HN 0.178 nan 8.250 nan 0.000 0.518 152 D N 0.368 120.757 120.400 -0.020 0.000 2.699 152 D HA -0.166 4.474 4.640 -0.000 0.000 0.239 152 D C -0.043 176.203 176.300 -0.090 0.000 1.136 152 D CA 0.204 54.182 54.000 -0.037 0.000 0.668 152 D CB -0.864 39.922 40.800 -0.022 0.000 1.060 152 D HN 0.042 nan 8.370 nan 0.000 0.429 153 L N -0.384 120.752 121.223 -0.146 0.000 2.638 153 L HA 0.306 4.646 4.340 -0.000 0.000 0.232 153 L C 0.497 177.199 176.870 -0.281 0.000 1.099 153 L CA 0.312 55.038 54.840 -0.189 0.000 0.883 153 L CB 0.654 42.608 42.059 -0.175 0.000 1.136 153 L HN 0.135 nan 8.230 nan 0.000 0.492 154 V N 0.122 119.815 119.914 -0.369 0.000 2.406 154 V HA 0.132 4.252 4.120 -0.000 0.000 0.272 154 V C 1.312 177.226 176.094 -0.300 0.000 1.043 154 V CA -0.201 61.815 62.300 -0.472 0.000 0.915 154 V CB 1.556 32.848 31.823 -0.885 0.000 0.988 154 V HN 0.292 nan 8.190 nan 0.000 0.466 155 E N 5.380 125.390 120.200 -0.317 0.000 2.127 155 E HA 0.082 4.432 4.350 -0.000 0.000 0.191 155 E C 0.079 176.689 176.600 0.016 0.000 0.964 155 E CA 0.490 56.784 56.400 -0.177 0.000 0.832 155 E CB 0.601 30.139 29.700 -0.271 0.000 0.790 155 E HN 0.783 nan 8.360 nan 0.000 0.465 156 W N -0.874 120.354 121.300 -0.120 0.000 2.982 156 W HA 0.508 5.168 4.660 -0.000 0.000 0.344 156 W C -1.770 174.693 176.519 -0.093 0.000 1.215 156 W CA -0.829 56.476 57.345 -0.068 0.000 1.182 156 W CB 0.432 29.873 29.460 -0.032 0.000 1.437 156 W HN -0.290 nan 8.180 nan 0.000 0.570 157 I N 2.766 123.635 120.570 0.500 0.000 2.610 157 I HA 0.207 4.377 4.170 -0.000 0.000 0.289 157 I C -0.228 176.127 176.117 0.397 0.000 1.163 157 I CA -0.699 60.800 61.300 0.332 0.000 1.044 157 I CB 2.602 40.620 38.000 0.029 0.000 1.251 157 I HN 0.433 nan 8.210 nan 0.000 0.424 158 S N 5.610 121.581 115.700 0.453 0.000 2.462 158 S HA 0.802 5.272 4.470 -0.000 0.000 0.294 158 S C -0.649 174.131 174.600 0.299 0.000 1.144 158 S CA -0.614 57.763 58.200 0.295 0.000 1.088 158 S CB 1.753 65.127 63.200 0.289 0.000 1.009 158 S HN 0.297 nan 8.310 nan 0.000 0.484 159 V N 1.701 121.759 119.914 0.241 0.000 2.628 159 V HA 0.887 5.007 4.120 -0.000 0.000 0.306 159 V C 0.039 176.233 176.094 0.167 0.000 1.045 159 V CA -0.803 61.675 62.300 0.297 0.000 0.905 159 V CB 1.559 33.564 31.823 0.304 0.000 0.997 159 V HN 1.208 nan 8.190 nan 0.000 0.436 160 A N 2.410 125.319 122.820 0.148 0.000 2.375 160 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 160 A C -0.082 177.508 177.584 0.010 0.000 1.160 160 A CA -0.323 51.738 52.037 0.040 0.000 0.747 160 A CB 1.326 20.368 19.000 0.070 0.000 1.170 160 A HN 0.979 nan 8.150 nan 0.000 0.458 161 T N -1.008 113.494 114.554 -0.088 0.000 2.945 161 T HA 0.705 5.055 4.350 -0.000 0.000 0.286 161 T C -0.922 173.656 174.700 -0.203 0.000 1.025 161 T CA -0.401 61.672 62.100 -0.045 0.000 1.039 161 T CB 0.891 69.722 68.868 -0.063 0.000 1.068 161 T HN 0.419 nan 8.240 nan 0.000 0.497 162 Y N 0.624 120.891 120.300 -0.056 0.000 2.787 162 Y HA 0.385 4.935 4.550 -0.000 0.000 0.352 162 Y C 0.456 176.356 175.900 0.000 0.000 1.027 162 Y CA -1.017 57.085 58.100 0.003 0.000 1.219 162 Y CB 0.630 39.133 38.460 0.072 0.000 1.110 162 Y HN 0.620 nan 8.280 nan 0.000 0.614 163 Q N 1.686 121.500 119.800 0.024 0.000 2.261 163 Q HA 0.691 5.031 4.340 -0.000 0.000 0.252 163 Q C 0.052 176.179 176.000 0.212 0.000 0.915 163 Q CA -0.668 55.113 55.803 -0.036 0.000 0.915 163 Q CB 1.715 30.213 28.738 -0.400 0.000 1.204 163 Q HN 0.715 nan 8.270 nan 0.000 0.421 164 A N 1.481 124.599 122.820 0.496 0.000 2.332 164 A HA 0.449 4.769 4.320 -0.000 0.000 0.258 164 A C 0.936 178.703 177.584 0.305 0.000 1.087 164 A CA 0.313 52.539 52.037 0.314 0.000 0.802 164 A CB 0.425 19.551 19.000 0.211 0.000 1.042 164 A HN 0.933 nan 8.150 nan 0.000 0.489 165 A N 0.727 123.698 122.820 0.252 0.000 2.015 165 A HA -0.043 4.277 4.320 -0.000 0.000 0.219 165 A C 2.329 180.063 177.584 0.250 0.000 1.163 165 A CA 2.151 54.400 52.037 0.353 0.000 0.646 165 A CB -1.096 18.150 19.000 0.410 0.000 0.806 165 A HN 1.667 nan 8.150 nan 0.000 0.448 166 S N -0.235 115.563 115.700 0.162 0.000 2.400 166 S HA -0.057 4.413 4.470 -0.000 0.000 0.232 166 S C 1.983 176.644 174.600 0.102 0.000 1.025 166 S CA 1.369 59.624 58.200 0.092 0.000 0.993 166 S CB -1.159 62.060 63.200 0.032 0.000 0.808 166 S HN 0.677 nan 8.310 nan 0.000 0.478 167 G N 1.484 110.389 108.800 0.174 0.000 2.442 167 G HA2 0.036 3.996 3.960 -0.000 0.000 0.219 167 G HA3 0.036 3.996 3.960 -0.000 0.000 0.219 167 G C 1.633 176.633 174.900 0.166 0.000 1.141 167 G CA 0.849 46.078 45.100 0.214 0.000 0.763 167 G HN 0.811 nan 8.290 nan 0.000 0.554 168 A N -0.502 122.422 122.820 0.173 0.000 1.930 168 A HA 0.530 4.850 4.320 -0.000 0.000 0.215 168 A C 1.357 178.958 177.584 0.028 0.000 1.176 168 A CA 1.734 53.835 52.037 0.105 0.000 0.632 168 A CB -0.308 18.762 19.000 0.116 0.000 0.819 168 A HN 1.709 nan 8.150 nan 0.000 0.445 169 G N -4.027 104.788 108.800 0.025 0.000 2.353 169 G HA2 0.479 4.439 3.960 -0.000 0.000 0.308 169 G HA3 0.479 4.439 3.960 -0.000 0.000 0.308 169 G C 0.501 175.391 174.900 -0.016 0.000 1.418 169 G CA -0.040 45.056 45.100 -0.007 0.000 0.966 169 G HN 0.979 nan 8.290 nan 0.000 0.638 170 A N 0.139 122.947 122.820 -0.019 0.000 1.883 170 A HA 0.008 4.328 4.320 -0.000 0.000 0.217 170 A C 2.155 179.719 177.584 -0.032 0.000 1.186 170 A CA 2.314 54.341 52.037 -0.017 0.000 0.624 170 A CB -0.461 18.526 19.000 -0.021 0.000 0.822 170 A HN 0.654 nan 8.150 nan 0.000 0.444 171 K N -0.581 119.784 120.400 -0.059 0.000 2.280 171 K HA -0.127 4.193 4.320 -0.000 0.000 0.202 171 K C 1.592 178.122 176.600 -0.117 0.000 1.047 171 K CA 1.431 57.672 56.287 -0.077 0.000 0.942 171 K CB -0.242 32.206 32.500 -0.087 0.000 0.739 171 K HN 0.516 nan 8.250 nan 0.000 0.457 172 N N 0.651 119.247 118.700 -0.174 0.000 2.216 172 N HA -0.049 4.691 4.740 -0.000 0.000 0.183 172 N C 1.625 177.155 175.510 0.034 0.000 1.017 172 N CA 1.095 53.952 53.050 -0.322 0.000 0.861 172 N CB 0.010 38.188 38.487 -0.515 0.000 0.986 172 N HN 0.096 nan 8.380 nan 0.000 0.428 173 M N 0.164 119.804 119.600 0.065 0.000 2.117 173 M HA -0.099 4.381 4.480 -0.000 0.000 0.262 173 M C 1.882 178.233 176.300 0.085 0.000 1.065 173 M CA 1.439 56.807 55.300 0.113 0.000 1.114 173 M CB -0.135 32.506 32.600 0.069 0.000 1.361 173 M HN 0.101 nan 8.290 nan 0.000 0.408 174 R N -0.030 120.491 120.500 0.036 0.000 2.075 174 R HA -0.165 4.175 4.340 -0.000 0.000 0.232 174 R C 2.148 178.461 176.300 0.021 0.000 1.126 174 R CA 1.631 57.741 56.100 0.017 0.000 0.963 174 R CB -0.485 29.810 30.300 -0.010 0.000 0.858 174 R HN 0.488 nan 8.270 nan 0.000 0.435 175 E N 1.125 121.341 120.200 0.026 0.000 2.077 175 E HA -0.220 4.130 4.350 -0.000 0.000 0.193 175 E C 1.972 178.627 176.600 0.092 0.000 0.989 175 E CA 1.026 57.445 56.400 0.032 0.000 0.800 175 E CB -0.027 29.692 29.700 0.031 0.000 0.746 175 E HN 0.156 nan 8.360 nan 0.000 0.452 176 L N 0.957 122.309 121.223 0.214 0.000 1.989 176 L HA -0.182 4.158 4.340 -0.000 0.000 0.211 176 L C 2.191 179.110 176.870 0.082 0.000 1.071 176 L CA 1.739 56.683 54.840 0.174 0.000 0.749 176 L CB -0.605 41.577 42.059 0.205 0.000 0.890 176 L HN 0.254 nan 8.230 nan 0.000 0.431 177 L N -0.880 120.384 121.223 0.069 0.000 2.079 177 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 177 L C 2.494 179.377 176.870 0.021 0.000 1.081 177 L CA 1.484 56.350 54.840 0.044 0.000 0.752 177 L CB -0.625 41.456 42.059 0.037 0.000 0.896 177 L HN 0.299 nan 8.230 nan 0.000 0.433 178 S N -0.900 114.797 115.700 -0.005 0.000 2.402 178 S HA -0.180 4.290 4.470 -0.000 0.000 0.229 178 S C 1.898 176.448 174.600 -0.082 0.000 1.021 178 S CA 0.981 59.156 58.200 -0.042 0.000 0.974 178 S CB -0.100 63.057 63.200 -0.072 0.000 0.800 178 S HN 0.457 nan 8.310 nan 0.000 0.484 179 Q N 0.482 120.212 119.800 -0.118 0.000 2.119 179 Q HA 0.005 4.345 4.340 -0.000 0.000 0.201 179 Q C 2.164 178.244 176.000 0.133 0.000 0.972 179 Q CA 1.138 56.843 55.803 -0.163 0.000 0.847 179 Q CB -0.277 28.398 28.738 -0.105 0.000 0.903 179 Q HN 0.542 nan 8.270 nan 0.000 0.433 180 M N -0.173 119.485 119.600 0.097 0.000 2.117 180 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 180 M C 2.237 178.593 176.300 0.094 0.000 1.065 180 M CA 1.529 56.892 55.300 0.106 0.000 1.114 180 M CB -0.496 32.148 32.600 0.073 0.000 1.361 180 M HN 0.334 nan 8.290 nan 0.000 0.408 181 G N 0.601 109.441 108.800 0.067 0.000 2.421 181 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 181 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 181 G C 1.504 176.451 174.900 0.080 0.000 1.171 181 G CA 0.608 45.742 45.100 0.057 0.000 0.775 181 G HN 0.330 nan 8.290 nan 0.000 0.543 182 L N -0.022 121.267 121.223 0.109 0.000 2.046 182 L HA -0.016 4.324 4.340 -0.000 0.000 0.208 182 L C 2.926 179.908 176.870 0.188 0.000 1.077 182 L CA 0.527 55.466 54.840 0.164 0.000 0.747 182 L CB -0.417 41.789 42.059 0.245 0.000 0.896 182 L HN 0.187 nan 8.230 nan 0.000 0.432 183 L N -0.554 120.802 121.223 0.221 0.000 2.079 183 L HA -0.213 4.127 4.340 -0.000 0.000 0.210 183 L C 2.780 179.695 176.870 0.075 0.000 1.081 183 L CA 1.197 56.117 54.840 0.134 0.000 0.752 183 L CB -0.543 41.593 42.059 0.128 0.000 0.896 183 L HN 0.357 nan 8.230 nan 0.000 0.433 184 E N 0.448 120.692 120.200 0.073 0.000 2.046 184 E HA -0.210 4.140 4.350 -0.000 0.000 0.190 184 E C 2.096 178.722 176.600 0.043 0.000 0.982 184 E CA 1.186 57.616 56.400 0.049 0.000 0.800 184 E CB 0.024 29.751 29.700 0.045 0.000 0.756 184 E HN 0.512 nan 8.360 nan 0.000 0.449 185 Q N -0.057 119.774 119.800 0.051 0.000 2.297 185 Q HA -0.093 4.247 4.340 -0.000 0.000 0.208 185 Q C 1.943 177.967 176.000 0.040 0.000 0.981 185 Q CA 1.372 57.201 55.803 0.043 0.000 0.876 185 Q CB -0.163 28.604 28.738 0.047 0.000 0.921 185 Q HN 0.289 nan 8.270 nan 0.000 0.446 186 A N 0.263 123.110 122.820 0.045 0.000 2.121 186 A HA -0.035 4.285 4.320 -0.000 0.000 0.218 186 A C 1.570 179.166 177.584 0.020 0.000 1.154 186 A CA 1.301 53.357 52.037 0.033 0.000 0.679 186 A CB 0.126 19.144 19.000 0.029 0.000 0.795 186 A HN 0.293 nan 8.150 nan 0.000 0.458 187 V N -4.716 115.210 119.914 0.020 0.000 3.070 187 V HA 0.307 4.427 4.120 -0.000 0.000 0.355 187 V C 1.194 177.297 176.094 0.015 0.000 1.400 187 V CA 0.499 62.807 62.300 0.014 0.000 1.170 187 V CB -0.656 31.173 31.823 0.009 0.000 1.169 187 V HN 0.193 nan 8.190 nan 0.000 0.554 188 S N 2.762 118.473 115.700 0.018 0.000 2.365 188 S HA -0.231 4.239 4.470 -0.000 0.000 0.225 188 S C 2.266 176.874 174.600 0.013 0.000 1.039 188 S CA 2.899 61.109 58.200 0.017 0.000 1.033 188 S CB -0.208 63.003 63.200 0.019 0.000 0.887 188 S HN 1.130 nan 8.310 nan 0.000 0.447 189 S N 0.529 116.236 115.700 0.012 0.000 2.387 189 S HA -0.032 4.438 4.470 -0.000 0.000 0.226 189 S C 1.644 176.249 174.600 0.008 0.000 1.026 189 S CA 1.194 59.400 58.200 0.010 0.000 0.972 189 S CB -0.631 62.574 63.200 0.009 0.000 0.814 189 S HN 0.550 nan 8.310 nan 0.000 0.477 190 E N 1.701 121.906 120.200 0.008 0.000 2.077 190 E HA 0.045 4.395 4.350 -0.000 0.000 0.193 190 E C 2.021 178.625 176.600 0.007 0.000 0.989 190 E CA 1.125 57.529 56.400 0.006 0.000 0.800 190 E CB -0.497 29.206 29.700 0.005 0.000 0.746 190 E HN 0.476 nan 8.360 nan 0.000 0.452 191 L N 0.466 121.694 121.223 0.008 0.000 2.083 191 L HA -0.187 4.153 4.340 -0.000 0.000 0.209 191 L C 2.020 178.895 176.870 0.008 0.000 1.083 191 L CA 1.234 56.079 54.840 0.009 0.000 0.752 191 L CB -0.210 41.856 42.059 0.011 0.000 0.899 191 L HN 0.067 nan 8.230 nan 0.000 0.433 192 K N -0.701 119.705 120.400 0.008 0.000 2.365 192 K HA -0.097 4.223 4.320 -0.000 0.000 0.199 192 K C 0.355 176.958 176.600 0.006 0.000 1.045 192 K CA 0.241 56.533 56.287 0.008 0.000 0.962 192 K CB -0.063 32.442 32.500 0.008 0.000 0.759 192 K HN 0.096 nan 8.250 nan 0.000 0.469 193 D N 1.289 121.692 120.400 0.006 0.000 2.365 193 D HA 0.036 4.676 4.640 -0.000 0.000 0.237 193 D C -1.610 174.693 176.300 0.004 0.000 1.190 193 D CA -2.520 51.483 54.000 0.005 0.000 0.867 193 D CB 1.271 42.073 40.800 0.004 0.000 1.050 193 D HN -0.073 nan 8.370 nan 0.000 0.491 194 P HA -0.081 nan 4.420 nan 0.000 0.228 194 P C 0.504 177.806 177.300 0.003 0.000 1.151 194 P CA 0.524 63.627 63.100 0.004 0.000 0.770 194 P CB 0.337 32.039 31.700 0.003 0.000 0.786 195 A N -0.331 122.490 122.820 0.003 0.000 2.431 195 A HA 0.254 4.574 4.320 -0.000 0.000 0.239 195 A C 1.065 178.650 177.584 0.002 0.000 1.230 195 A CA -0.039 51.999 52.037 0.002 0.000 0.928 195 A CB -0.443 18.559 19.000 0.002 0.000 1.006 195 A HN 0.296 nan 8.150 nan 0.000 0.520 196 S N -0.083 115.619 115.700 0.002 0.000 2.584 196 S HA 0.341 4.811 4.470 -0.000 0.000 0.270 196 S C 0.463 175.063 174.600 0.001 0.000 1.346 196 S CA 0.191 58.392 58.200 0.002 0.000 1.018 196 S CB 0.878 64.079 63.200 0.003 0.000 0.899 196 S HN 0.441 nan 8.310 nan 0.000 0.542 197 S N 0.719 116.420 115.700 0.001 0.000 2.531 197 S HA 0.165 4.635 4.470 -0.000 0.000 0.279 197 S C 0.903 175.503 174.600 -0.001 0.000 1.305 197 S CA -0.784 57.415 58.200 -0.000 0.000 1.058 197 S CB -0.111 63.088 63.200 -0.001 0.000 0.899 197 S HN 0.701 nan 8.310 nan 0.000 0.493 198 I N 5.842 126.412 120.570 -0.001 0.000 2.439 198 I HA 0.017 4.187 4.170 -0.000 0.000 0.251 198 I C 1.507 177.622 176.117 -0.003 0.000 1.139 198 I CA 1.283 62.582 61.300 -0.001 0.000 1.438 198 I CB -0.361 37.639 38.000 -0.001 0.000 1.085 198 I HN 0.688 nan 8.210 nan 0.000 0.427 199 L N 0.346 121.567 121.223 -0.004 0.000 2.093 199 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 199 L C 2.145 179.011 176.870 -0.007 0.000 1.085 199 L CA 1.963 56.800 54.840 -0.005 0.000 0.755 199 L CB -1.192 40.864 42.059 -0.005 0.000 0.904 199 L HN 0.351 nan 8.230 nan 0.000 0.435 200 D N -0.571 119.826 120.400 -0.005 0.000 2.117 200 D HA -0.176 4.464 4.640 -0.000 0.000 0.198 200 D C 2.273 178.569 176.300 -0.006 0.000 0.982 200 D CA 1.128 55.125 54.000 -0.005 0.000 0.828 200 D CB 0.040 40.838 40.800 -0.003 0.000 0.967 200 D HN 0.307 nan 8.370 nan 0.000 0.464 201 I N 0.288 120.856 120.570 -0.004 0.000 2.179 201 I HA -0.242 3.928 4.170 -0.000 0.000 0.242 201 I C 2.386 178.497 176.117 -0.009 0.000 1.088 201 I CA 1.595 62.892 61.300 -0.004 0.000 1.357 201 I CB -0.460 37.540 38.000 -0.001 0.000 1.051 201 I HN 0.183 nan 8.210 nan 0.000 0.409 202 E N 1.573 121.767 120.200 -0.010 0.000 2.077 202 E HA -0.238 4.112 4.350 -0.000 0.000 0.193 202 E C 2.180 178.766 176.600 -0.023 0.000 0.989 202 E CA 1.363 57.753 56.400 -0.016 0.000 0.800 202 E CB -0.410 29.282 29.700 -0.013 0.000 0.746 202 E HN 0.265 nan 8.360 nan 0.000 0.452 203 R N 0.449 120.937 120.500 -0.020 0.000 2.103 203 R HA -0.117 4.223 4.340 -0.000 0.000 0.242 203 R C 2.422 178.705 176.300 -0.028 0.000 1.142 203 R CA 2.081 58.167 56.100 -0.023 0.000 0.960 203 R CB -0.226 30.064 30.300 -0.016 0.000 0.858 203 R HN 0.242 nan 8.270 nan 0.000 0.439 204 K N -0.172 120.214 120.400 -0.023 0.000 2.062 204 K HA -0.048 4.272 4.320 -0.000 0.000 0.205 204 K C 2.087 178.665 176.600 -0.038 0.000 1.051 204 K CA 1.118 57.391 56.287 -0.024 0.000 0.941 204 K CB -0.024 32.469 32.500 -0.012 0.000 0.719 204 K HN -0.012 nan 8.250 nan 0.000 0.440 205 V N 1.461 121.353 119.914 -0.037 0.000 2.343 205 V HA -0.246 3.874 4.120 -0.000 0.000 0.247 205 V C 2.114 178.144 176.094 -0.106 0.000 1.051 205 V CA 2.109 64.376 62.300 -0.054 0.000 1.036 205 V CB -0.648 31.155 31.823 -0.034 0.000 0.654 205 V HN 0.395 nan 8.190 nan 0.000 0.451 206 T N 0.255 114.756 114.554 -0.089 0.000 2.788 206 T HA -0.115 4.235 4.350 -0.000 0.000 0.268 206 T C 2.034 176.656 174.700 -0.130 0.000 1.044 206 T CA 1.457 63.490 62.100 -0.110 0.000 1.139 206 T CB -0.361 68.465 68.868 -0.071 0.000 0.867 206 T HN 0.571 nan 8.240 nan 0.000 0.454 207 A N 1.842 124.603 122.820 -0.097 0.000 1.898 207 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 207 A C 2.184 179.696 177.584 -0.121 0.000 1.181 207 A CA 1.931 53.917 52.037 -0.085 0.000 0.620 207 A CB -0.485 18.485 19.000 -0.050 0.000 0.819 207 A HN 0.366 nan 8.150 nan 0.000 0.442 208 K N 0.141 120.458 120.400 -0.138 0.000 2.057 208 K HA -0.096 4.224 4.320 -0.000 0.000 0.207 208 K C 1.968 178.287 176.600 -0.469 0.000 1.049 208 K CA 2.151 58.341 56.287 -0.162 0.000 0.931 208 K CB -0.570 31.880 32.500 -0.083 0.000 0.714 208 K HN 0.461 nan 8.250 nan 0.000 0.440 209 M N -0.131 119.056 119.600 -0.688 0.000 2.267 209 M HA -0.142 4.338 4.480 -0.000 0.000 0.263 209 M C 1.328 177.249 176.300 -0.633 0.000 1.063 209 M CA 1.622 56.218 55.300 -1.174 0.000 1.090 209 M CB 0.088 32.308 32.600 -0.634 0.000 1.392 209 M HN 0.086 nan 8.290 nan 0.000 0.422 210 R N 0.008 120.324 120.500 -0.307 0.000 2.312 210 R HA 0.316 4.656 4.340 -0.000 0.000 0.205 210 R C 0.608 176.878 176.300 -0.051 0.000 0.904 210 R CA 0.086 56.109 56.100 -0.129 0.000 1.052 210 R CB 0.087 30.334 30.300 -0.089 0.000 1.014 210 R HN 0.313 nan 8.270 nan 0.000 0.503 211 A N 1.492 124.283 122.820 -0.049 0.000 2.520 211 A HA -0.048 4.272 4.320 -0.000 0.000 0.235 211 A C 0.301 177.938 177.584 0.089 0.000 1.065 211 A CA -0.117 51.938 52.037 0.030 0.000 0.764 211 A CB 0.275 19.308 19.000 0.056 0.000 1.002 211 A HN 0.088 nan 8.150 nan 0.000 0.502 212 D N 1.027 121.468 120.400 0.069 0.000 2.144 212 D HA -0.161 4.479 4.640 -0.000 0.000 0.199 212 D C 1.508 177.867 176.300 0.098 0.000 0.984 212 D CA 1.804 55.848 54.000 0.073 0.000 0.834 212 D CB -0.160 40.667 40.800 0.046 0.000 0.955 212 D HN 0.783 nan 8.370 nan 0.000 0.465 213 N N 0.468 119.229 118.700 0.102 0.000 2.521 213 N HA -0.149 4.591 4.740 -0.000 0.000 0.188 213 N C 0.148 175.745 175.510 0.145 0.000 1.146 213 N CA -0.201 52.907 53.050 0.097 0.000 0.893 213 N CB -0.625 37.906 38.487 0.073 0.000 0.975 213 N HN 0.046 nan 8.380 nan 0.000 0.451 214 F N 4.239 124.201 119.950 0.020 0.000 2.541 214 F HA 0.227 4.754 4.527 0.000 0.000 0.378 214 F C -1.783 174.038 175.800 0.035 0.000 1.068 214 F CA -2.727 55.289 58.000 0.027 0.000 1.199 214 F CB 0.462 39.478 39.000 0.027 0.000 1.091 214 F HN -0.023 nan 8.300 nan 0.000 0.555 215 P HA 0.026 nan 4.420 nan 0.000 0.263 215 P C -0.152 177.043 177.300 -0.175 0.000 1.276 215 P CA 0.170 63.136 63.100 -0.223 0.000 0.986 215 P CB 0.042 31.595 31.700 -0.245 0.000 1.105 216 T N -1.938 112.610 114.554 -0.011 0.000 3.275 216 T HA 0.130 4.480 4.350 -0.000 0.000 0.298 216 T C 0.753 175.496 174.700 0.072 0.000 0.988 216 T CA -0.239 61.912 62.100 0.086 0.000 0.936 216 T CB -0.259 68.709 68.868 0.167 0.000 1.159 216 T HN -0.016 nan 8.240 nan 0.000 0.519 217 D N 2.133 122.543 120.400 0.016 0.000 2.178 217 D HA -0.051 4.589 4.640 -0.000 0.000 0.202 217 D C 1.871 178.150 176.300 -0.035 0.000 0.974 217 D CA 0.774 54.772 54.000 -0.004 0.000 0.841 217 D CB 0.022 40.810 40.800 -0.020 0.000 0.953 217 D HN 0.422 nan 8.370 nan 0.000 0.478 218 N N -0.364 118.281 118.700 -0.091 0.000 2.171 218 N HA -0.059 4.681 4.740 -0.000 0.000 0.184 218 N C 1.661 177.008 175.510 -0.272 0.000 1.021 218 N CA 0.627 53.540 53.050 -0.229 0.000 0.854 218 N CB -0.166 38.092 38.487 -0.381 0.000 0.994 218 N HN 0.238 nan 8.380 nan 0.000 0.426 219 F N -0.044 119.919 119.950 0.022 0.000 2.530 219 F HA 0.208 4.735 4.527 -0.000 0.000 0.292 219 F C 1.883 177.703 175.800 0.033 0.000 1.109 219 F CA 0.438 58.461 58.000 0.038 0.000 1.450 219 F CB 0.233 39.263 39.000 0.049 0.000 1.114 219 F HN 0.092 nan 8.300 nan 0.000 0.560 220 G N 0.584 109.492 108.800 0.180 0.000 2.176 220 G HA2 -0.017 3.943 3.960 -0.000 0.000 0.253 220 G HA3 -0.017 3.943 3.960 -0.000 0.000 0.253 220 G C 0.052 175.019 174.900 0.112 0.000 0.979 220 G CA -0.026 45.138 45.100 0.106 0.000 0.641 220 G HN 0.847 nan 8.290 nan 0.000 0.530 221 A N -1.509 121.413 122.820 0.170 0.000 2.540 221 A HA 0.997 5.317 4.320 -0.000 0.000 0.291 221 A C -0.012 177.681 177.584 0.181 0.000 1.083 221 A CA 0.270 52.391 52.037 0.140 0.000 0.650 221 A CB 0.075 19.129 19.000 0.091 0.000 1.292 221 A HN 2.097 nan 8.150 nan 0.000 0.435 222 A N -0.466 122.457 122.820 0.172 0.000 2.388 222 A HA 0.554 4.874 4.320 -0.000 0.000 0.257 222 A C 0.548 178.172 177.584 0.067 0.000 1.095 222 A CA 0.399 52.575 52.037 0.231 0.000 0.791 222 A CB 0.366 19.511 19.000 0.241 0.000 1.029 222 A HN 1.911 nan 8.150 nan 0.000 0.489 223 L N 2.750 123.974 121.223 0.003 0.000 2.588 223 L HA 0.387 4.727 4.340 -0.000 0.000 0.194 223 L C 1.497 178.337 176.870 -0.050 0.000 1.070 223 L CA 1.432 56.158 54.840 -0.189 0.000 0.852 223 L CB -0.641 41.040 42.059 -0.631 0.000 1.199 223 L HN 0.755 nan 8.230 nan 0.000 0.486 224 G N -0.486 108.338 108.800 0.040 0.000 2.313 224 G HA2 0.364 4.324 3.960 -0.000 0.000 0.250 224 G HA3 0.364 4.324 3.960 -0.000 0.000 0.250 224 G C 0.960 175.920 174.900 0.101 0.000 1.281 224 G CA 0.282 45.434 45.100 0.086 0.000 0.917 224 G HN 1.073 nan 8.290 nan 0.000 0.501 225 G N 0.438 109.273 108.800 0.058 0.000 2.162 225 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.260 225 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.260 225 G C 0.590 175.500 174.900 0.017 0.000 0.976 225 G CA 1.117 46.238 45.100 0.036 0.000 0.655 225 G HN 1.548 nan 8.290 nan 0.000 0.533 226 S N -1.737 113.971 115.700 0.014 0.000 3.341 226 S HA 0.922 5.392 4.470 -0.000 0.000 0.326 226 S C -1.455 173.138 174.600 -0.011 0.000 1.178 226 S CA 0.537 58.739 58.200 0.002 0.000 1.002 226 S CB 0.958 64.160 63.200 0.003 0.000 1.385 226 S HN 1.821 nan 8.310 nan 0.000 0.710 227 L N -0.483 120.727 121.223 -0.020 0.000 2.869 227 L HA 0.717 5.057 4.340 -0.000 0.000 0.265 227 L C -1.820 175.036 176.870 -0.023 0.000 1.011 227 L CA -0.645 54.174 54.840 -0.034 0.000 0.913 227 L CB 0.986 43.033 42.059 -0.020 0.000 1.490 227 L HN 0.589 nan 8.230 nan 0.000 0.410 228 I N 1.726 122.284 120.570 -0.020 0.000 2.476 228 I HA 0.414 4.583 4.170 -0.000 0.000 0.281 228 I C -2.110 174.048 176.117 0.069 0.000 1.040 228 I CA -1.173 60.149 61.300 0.036 0.000 1.094 228 I CB 2.563 40.592 38.000 0.048 0.000 1.219 228 I HN 0.554 nan 8.210 nan 0.000 0.450 229 P HA 0.015 nan 4.420 nan 0.000 0.246 229 P C -0.885 176.533 177.300 0.197 0.000 1.686 229 P CA 0.280 63.432 63.100 0.088 0.000 0.867 229 P CB -0.196 31.546 31.700 0.070 0.000 1.733 230 W N 1.568 122.868 121.300 -0.000 0.000 3.775 230 W HA 0.386 5.046 4.660 -0.000 0.000 0.315 230 W C -2.318 174.223 176.519 0.037 0.000 1.169 230 W CA -0.653 56.703 57.345 0.018 0.000 1.266 230 W CB 1.054 30.528 29.460 0.023 0.000 1.269 230 W HN -0.231 nan 8.180 nan 0.000 0.471 231 I N 6.876 127.483 120.570 0.061 0.000 2.466 231 I HA 0.247 4.417 4.170 -0.000 0.000 0.289 231 I C 0.443 176.623 176.117 0.105 0.000 1.026 231 I CA -0.201 61.186 61.300 0.144 0.000 1.078 231 I CB 1.871 39.907 38.000 0.061 0.000 1.249 231 I HN 0.418 nan 8.210 nan 0.000 0.429 232 D N 3.593 124.126 120.400 0.221 0.000 3.876 232 D HA -0.165 4.475 4.640 -0.000 0.000 0.275 232 D C -0.554 175.927 176.300 0.302 0.000 2.055 232 D CA 0.666 54.778 54.000 0.187 0.000 1.173 232 D CB 0.262 41.120 40.800 0.097 0.000 0.929 232 D HN 0.327 nan 8.370 nan 0.000 1.134 233 K N 0.178 120.699 120.400 0.202 0.000 2.090 233 K HA 0.504 4.824 4.320 -0.000 0.000 0.250 233 K C -0.010 176.718 176.600 0.213 0.000 1.004 233 K CA -0.589 55.847 56.287 0.248 0.000 0.919 233 K CB 0.428 32.999 32.500 0.118 0.000 1.045 233 K HN 0.369 nan 8.250 nan 0.000 0.471 234 L N 2.688 124.105 121.223 0.323 0.000 2.417 234 L HA 0.291 4.631 4.340 -0.000 0.000 0.268 234 L C -0.806 176.096 176.870 0.054 0.000 1.158 234 L CA -0.284 54.697 54.840 0.234 0.000 0.819 234 L CB 0.609 42.925 42.059 0.428 0.000 1.112 234 L HN 0.582 nan 8.230 nan 0.000 0.458 235 L N 7.511 128.723 121.223 -0.018 0.000 2.371 235 L HA 0.338 4.678 4.340 -0.000 0.000 0.262 235 L C -1.724 175.134 176.870 -0.021 0.000 1.054 235 L CA -1.464 53.330 54.840 -0.077 0.000 0.924 235 L CB 1.158 43.129 42.059 -0.147 0.000 1.295 235 L HN 0.474 nan 8.230 nan 0.000 0.441 236 P HA -0.312 nan 4.420 nan 0.000 0.219 236 P C 1.202 178.511 177.300 0.014 0.000 1.161 236 P CA 1.607 64.718 63.100 0.018 0.000 0.909 236 P CB 0.290 31.996 31.700 0.010 0.000 0.793 237 E N -0.918 119.284 120.200 0.005 0.000 2.108 237 E HA -0.265 4.085 4.350 -0.000 0.000 0.203 237 E C 1.452 178.071 176.600 0.031 0.000 1.022 237 E CA 2.604 59.017 56.400 0.020 0.000 0.823 237 E CB -0.369 29.349 29.700 0.029 0.000 0.744 237 E HN 0.360 nan 8.360 nan 0.000 0.456 238 T N -5.086 109.492 114.554 0.039 0.000 2.971 238 T HA 0.394 4.744 4.350 -0.000 0.000 0.252 238 T C 1.411 176.118 174.700 0.012 0.000 1.022 238 T CA 0.602 62.723 62.100 0.035 0.000 0.980 238 T CB 0.994 69.906 68.868 0.074 0.000 1.044 238 T HN 0.426 nan 8.240 nan 0.000 0.501 239 G N 1.384 110.190 108.800 0.009 0.000 2.217 239 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.246 239 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.246 239 G C 0.006 174.864 174.900 -0.070 0.000 0.990 239 G CA 0.100 45.197 45.100 -0.005 0.000 0.627 239 G HN 0.717 nan 8.290 nan 0.000 0.522 240 Q N 1.078 120.846 119.800 -0.054 0.000 2.443 240 Q HA 0.518 4.858 4.340 -0.000 0.000 0.232 240 Q C 1.016 176.908 176.000 -0.181 0.000 1.026 240 Q CA 0.433 56.177 55.803 -0.099 0.000 0.924 240 Q CB 0.519 29.275 28.738 0.029 0.000 1.256 240 Q HN 0.546 nan 8.270 nan 0.000 0.519 241 T N -2.681 111.693 114.554 -0.301 0.000 2.862 241 T HA 0.196 4.546 4.350 -0.000 0.000 0.276 241 T C 0.850 175.493 174.700 -0.096 0.000 0.974 241 T CA -0.852 61.037 62.100 -0.352 0.000 0.966 241 T CB 1.069 69.560 68.868 -0.628 0.000 1.072 241 T HN 0.603 nan 8.240 nan 0.000 0.538 242 K N -0.142 120.229 120.400 -0.048 0.000 2.147 242 K HA -0.159 4.161 4.320 -0.000 0.000 0.205 242 K C 2.156 178.842 176.600 0.144 0.000 1.049 242 K CA 1.517 57.821 56.287 0.028 0.000 0.936 242 K CB -0.179 32.313 32.500 -0.014 0.000 0.722 242 K HN 0.755 nan 8.250 nan 0.000 0.446 243 E N 1.212 121.450 120.200 0.063 0.000 2.077 243 E HA -0.197 4.153 4.350 -0.000 0.000 0.193 243 E C 1.444 178.092 176.600 0.081 0.000 0.989 243 E CA 1.792 58.235 56.400 0.071 0.000 0.800 243 E CB 0.082 29.790 29.700 0.014 0.000 0.746 243 E HN 0.336 nan 8.360 nan 0.000 0.452 244 E N -0.994 119.230 120.200 0.039 0.000 2.106 244 E HA -0.147 4.203 4.350 -0.000 0.000 0.192 244 E C 1.630 178.304 176.600 0.123 0.000 0.984 244 E CA 0.945 57.369 56.400 0.041 0.000 0.806 244 E CB -0.370 29.310 29.700 -0.033 0.000 0.750 244 E HN 0.440 nan 8.360 nan 0.000 0.458 245 W N 2.204 123.489 121.300 -0.024 0.000 2.374 245 W HA -0.148 4.512 4.660 -0.000 0.000 0.288 245 W C 1.507 178.060 176.519 0.057 0.000 1.218 245 W CA 1.274 58.631 57.345 0.019 0.000 1.245 245 W CB 0.199 29.663 29.460 0.007 0.000 1.126 245 W HN -0.151 nan 8.180 nan 0.000 0.545 246 K N -0.172 120.386 120.400 0.264 0.000 2.280 246 K HA -0.071 4.249 4.320 -0.000 0.000 0.202 246 K C 2.312 178.868 176.600 -0.075 0.000 1.047 246 K CA 1.055 57.383 56.287 0.068 0.000 0.942 246 K CB -0.727 31.885 32.500 0.188 0.000 0.739 246 K HN 0.339 nan 8.250 nan 0.000 0.457 247 G N 0.673 109.463 108.800 -0.017 0.000 2.459 247 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.217 247 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.217 247 G C 1.378 176.258 174.900 -0.033 0.000 1.183 247 G CA 0.811 45.909 45.100 -0.004 0.000 0.776 247 G HN 0.345 nan 8.290 nan 0.000 0.552 248 Y N 1.538 121.699 120.300 -0.232 0.000 2.184 248 Y HA 0.084 4.634 4.550 -0.000 0.000 0.290 248 Y C 3.060 178.750 175.900 -0.350 0.000 1.129 248 Y CA 1.376 59.321 58.100 -0.258 0.000 1.144 248 Y CB -0.057 38.234 38.460 -0.280 0.000 0.995 248 Y HN 0.272 nan 8.280 nan 0.000 0.513 249 A N 0.313 122.783 122.820 -0.583 0.000 1.858 249 A HA -0.203 4.117 4.320 -0.000 0.000 0.216 249 A C 1.998 179.343 177.584 -0.398 0.000 1.190 249 A CA 2.047 53.676 52.037 -0.679 0.000 0.617 249 A CB -0.679 17.581 19.000 -1.234 0.000 0.827 249 A HN 0.614 nan 8.150 nan 0.000 0.443 250 E N -1.139 118.890 120.200 -0.285 0.000 2.158 250 E HA -0.071 4.279 4.350 -0.000 0.000 0.191 250 E C 2.031 178.529 176.600 -0.169 0.000 0.982 250 E CA 1.147 57.449 56.400 -0.162 0.000 0.823 250 E CB -0.232 29.424 29.700 -0.073 0.000 0.766 250 E HN 0.557 nan 8.360 nan 0.000 0.468 251 T N 1.589 116.026 114.554 -0.195 0.000 2.720 251 T HA -0.124 4.226 4.350 -0.000 0.000 0.268 251 T C 1.614 176.154 174.700 -0.266 0.000 1.037 251 T CA 1.121 63.077 62.100 -0.240 0.000 1.144 251 T CB -0.155 68.580 68.868 -0.221 0.000 0.864 251 T HN 0.142 nan 8.240 nan 0.000 0.444 252 N N 0.651 119.192 118.700 -0.266 0.000 2.216 252 N HA -0.028 4.712 4.740 -0.000 0.000 0.183 252 N C 1.908 177.308 175.510 -0.183 0.000 1.017 252 N CA 0.782 53.687 53.050 -0.242 0.000 0.861 252 N CB -0.131 38.157 38.487 -0.331 0.000 0.986 252 N HN 0.426 nan 8.380 nan 0.000 0.428 253 K N 1.369 121.665 120.400 -0.174 0.000 2.097 253 K HA 0.033 4.353 4.320 -0.000 0.000 0.205 253 K C 2.059 178.611 176.600 -0.081 0.000 1.050 253 K CA 0.639 56.858 56.287 -0.112 0.000 0.938 253 K CB -0.024 32.420 32.500 -0.094 0.000 0.718 253 K HN 0.021 nan 8.250 nan 0.000 0.442 254 I N 1.181 121.694 120.570 -0.095 0.000 2.226 254 I HA -0.281 3.889 4.170 -0.000 0.000 0.245 254 I C 1.847 177.923 176.117 -0.069 0.000 1.100 254 I CA 1.199 62.457 61.300 -0.069 0.000 1.374 254 I CB -0.091 37.854 38.000 -0.092 0.000 1.057 254 I HN 0.210 nan 8.210 nan 0.000 0.413 255 L N 0.263 121.416 121.223 -0.116 0.000 2.554 255 L HA 0.129 4.469 4.340 -0.000 0.000 0.226 255 L C 1.465 178.309 176.870 -0.044 0.000 1.137 255 L CA 0.570 55.353 54.840 -0.095 0.000 0.863 255 L CB -0.637 41.327 42.059 -0.159 0.000 0.985 255 L HN 0.502 nan 8.230 nan 0.000 0.451 256 G N 0.867 109.639 108.800 -0.045 0.000 2.176 256 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.252 256 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.252 256 G C 0.406 175.286 174.900 -0.033 0.000 1.024 256 G CA 0.072 45.159 45.100 -0.023 0.000 0.755 256 G HN 0.354 nan 8.290 nan 0.000 0.507 257 L N 0.237 121.422 121.223 -0.063 0.000 2.965 257 L HA 0.217 4.557 4.340 -0.000 0.000 0.254 257 L C 2.073 178.887 176.870 -0.093 0.000 1.220 257 L CA 0.336 55.139 54.840 -0.061 0.000 1.023 257 L CB 0.420 42.448 42.059 -0.051 0.000 1.355 257 L HN 0.184 nan 8.230 nan 0.000 0.545 258 S N 0.016 115.656 115.700 -0.100 0.000 2.440 258 S HA -0.139 4.331 4.470 -0.000 0.000 0.238 258 S C 1.272 175.822 174.600 -0.083 0.000 1.010 258 S CA 1.130 59.257 58.200 -0.120 0.000 0.972 258 S CB -0.056 63.086 63.200 -0.096 0.000 0.774 258 S HN 0.480 nan 8.310 nan 0.000 0.501 259 D N 1.138 121.507 120.400 -0.051 0.000 2.305 259 D HA 0.085 4.725 4.640 -0.000 0.000 0.206 259 D C 0.225 176.514 176.300 -0.018 0.000 0.974 259 D CA 0.558 54.542 54.000 -0.027 0.000 0.871 259 D CB 0.066 40.857 40.800 -0.014 0.000 0.947 259 D HN 0.311 nan 8.370 nan 0.000 0.516 260 N N 1.282 119.967 118.700 -0.025 0.000 2.697 260 N HA 0.186 4.926 4.740 -0.000 0.000 0.253 260 N C -2.797 172.705 175.510 -0.014 0.000 1.604 260 N CA -0.767 52.279 53.050 -0.006 0.000 0.772 260 N CB 2.117 40.605 38.487 0.003 0.000 1.267 260 N HN -0.054 nan 8.380 nan 0.000 0.510 261 P HA 0.128 nan 4.420 nan 0.000 0.266 261 P C 0.042 177.373 177.300 0.052 0.000 1.195 261 P CA 0.250 63.289 63.100 -0.102 0.000 0.768 261 P CB 1.016 32.562 31.700 -0.258 0.000 0.838 262 I N 4.965 125.579 120.570 0.072 0.000 2.336 262 I HA 0.268 4.438 4.170 -0.000 0.000 0.292 262 I C -2.172 174.159 176.117 0.356 0.000 0.991 262 I CA -2.735 58.685 61.300 0.201 0.000 1.227 262 I CB 1.741 39.884 38.000 0.238 0.000 1.366 262 I HN 0.123 nan 8.210 nan 0.000 0.466 263 P HA 0.131 nan 4.420 nan 0.000 0.271 263 P C -1.019 176.459 177.300 0.296 0.000 1.226 263 P CA -0.013 63.292 63.100 0.341 0.000 0.765 263 P CB 0.699 32.462 31.700 0.106 0.000 0.835 264 V N 4.272 124.363 119.914 0.294 0.000 2.524 264 V HA 0.522 4.642 4.120 -0.000 0.000 0.297 264 V C -0.473 175.679 176.094 0.097 0.000 1.035 264 V CA -0.183 62.235 62.300 0.197 0.000 0.867 264 V CB 1.990 33.922 31.823 0.183 0.000 1.004 264 V HN 0.492 nan 8.190 nan 0.000 0.426 265 D N 2.011 122.444 120.400 0.056 0.000 2.639 265 D HA 0.830 5.470 4.640 -0.000 0.000 0.271 265 D C -0.020 176.296 176.300 0.027 0.000 1.254 265 D CA 0.804 54.804 54.000 -0.001 0.000 0.810 265 D CB 2.584 43.325 40.800 -0.098 0.000 1.351 265 D HN 0.854 nan 8.370 nan 0.000 0.427 266 G N -0.404 108.399 108.800 0.005 0.000 2.404 266 G HA2 0.320 4.280 3.960 -0.000 0.000 0.253 266 G HA3 0.320 4.280 3.960 -0.000 0.000 0.253 266 G C -1.869 173.021 174.900 -0.017 0.000 1.253 266 G CA -0.639 44.470 45.100 0.016 0.000 0.917 266 G HN 0.466 nan 8.290 nan 0.000 0.480 267 L N 0.088 121.300 121.223 -0.018 0.000 2.356 267 L HA 0.536 4.876 4.340 -0.000 0.000 0.277 267 L C -0.589 176.237 176.870 -0.073 0.000 0.996 267 L CA -0.795 54.009 54.840 -0.059 0.000 0.822 267 L CB 2.159 44.182 42.059 -0.059 0.000 1.256 267 L HN 0.560 nan 8.230 nan 0.000 0.413 268 C N 3.766 123.010 119.300 -0.093 0.000 2.246 268 C HA 0.561 5.021 4.460 -0.000 0.000 0.329 268 C C 0.405 175.336 174.990 -0.098 0.000 1.221 268 C CA -0.689 58.272 59.018 -0.096 0.000 1.697 268 C CB 0.330 28.020 27.740 -0.084 0.000 2.312 268 C HN 0.445 nan 8.230 nan 0.000 0.509 269 V N 4.320 124.159 119.914 -0.126 0.000 2.555 269 V HA 0.515 4.635 4.120 -0.000 0.000 0.302 269 V C 0.093 176.135 176.094 -0.086 0.000 1.038 269 V CA -0.756 61.479 62.300 -0.109 0.000 0.887 269 V CB 1.749 33.463 31.823 -0.181 0.000 0.991 269 V HN 0.792 nan 8.190 nan 0.000 0.434 270 R N 4.049 124.527 120.500 -0.036 0.000 2.297 270 R HA 0.732 5.072 4.340 -0.000 0.000 0.308 270 R C -0.547 175.725 176.300 -0.047 0.000 1.029 270 R CA -0.260 55.825 56.100 -0.024 0.000 0.929 270 R CB 0.837 31.131 30.300 -0.009 0.000 1.046 270 R HN 0.825 nan 8.270 nan 0.000 0.461 271 I N -0.197 120.370 120.570 -0.006 0.000 3.206 271 I HA 0.612 4.782 4.170 -0.000 0.000 0.313 271 I C 0.505 176.621 176.117 -0.002 0.000 1.103 271 I CA -1.344 59.963 61.300 0.011 0.000 0.985 271 I CB 2.137 40.202 38.000 0.109 0.000 1.240 271 I HN 0.620 nan 8.210 nan 0.000 0.464 272 G N 1.806 110.612 108.800 0.009 0.000 3.180 272 G HA2 0.513 4.473 3.960 -0.000 0.000 0.252 272 G HA3 0.513 4.473 3.960 -0.000 0.000 0.252 272 G C -0.021 174.913 174.900 0.056 0.000 0.871 272 G CA 0.192 45.300 45.100 0.014 0.000 1.979 272 G HN 0.899 nan 8.290 nan 0.000 0.624 273 A N 0.260 123.128 122.820 0.080 0.000 2.355 273 A HA 0.726 5.046 4.320 -0.000 0.000 0.324 273 A C 0.966 178.614 177.584 0.106 0.000 1.117 273 A CA -0.719 51.376 52.037 0.097 0.000 0.785 273 A CB 1.290 20.364 19.000 0.122 0.000 1.254 273 A HN 0.238 nan 8.150 nan 0.000 0.453 274 L N 0.408 121.684 121.223 0.089 0.000 2.034 274 L HA 0.023 4.363 4.340 -0.000 0.000 0.203 274 L C 2.116 179.030 176.870 0.074 0.000 1.074 274 L CA 1.667 56.558 54.840 0.085 0.000 0.748 274 L CB -0.110 41.987 42.059 0.062 0.000 0.905 274 L HN 0.952 nan 8.230 nan 0.000 0.439 275 R N -2.537 117.992 120.500 0.049 0.000 2.544 275 R HA 0.293 4.633 4.340 -0.000 0.000 0.426 275 R C -0.628 175.647 176.300 -0.040 0.000 0.943 275 R CA -0.380 55.721 56.100 0.002 0.000 1.162 275 R CB -0.446 29.851 30.300 -0.006 0.000 1.588 275 R HN 0.040 nan 8.270 nan 0.000 0.563 276 C N 2.262 121.571 119.300 0.015 0.000 2.345 276 C HA 0.538 4.998 4.460 -0.000 0.000 0.323 276 C C -0.580 174.487 174.990 0.129 0.000 1.276 276 C CA -0.664 58.369 59.018 0.025 0.000 1.543 276 C CB 0.686 28.463 27.740 0.062 0.000 2.211 276 C HN 0.408 nan 8.230 nan 0.000 0.493 277 H N 1.201 120.308 119.070 0.063 0.000 2.473 277 H HA 0.553 5.109 4.556 -0.000 0.000 0.327 277 H C -0.045 175.284 175.328 0.002 0.000 1.105 277 H CA 0.111 56.194 56.048 0.058 0.000 1.280 277 H CB 1.487 31.285 29.762 0.061 0.000 1.450 277 H HN 0.597 nan 8.280 nan 0.000 0.492 278 S N 2.412 118.177 115.700 0.109 0.000 2.566 278 S HA 0.539 5.009 4.470 -0.000 0.000 0.298 278 S C -0.566 173.883 174.600 -0.252 0.000 1.083 278 S CA -0.923 57.172 58.200 -0.175 0.000 0.978 278 S CB 2.010 65.112 63.200 -0.163 0.000 1.073 278 S HN 0.512 nan 8.310 nan 0.000 0.491 279 Q N 0.707 120.071 119.800 -0.726 0.000 2.289 279 Q HA 0.647 4.987 4.340 -0.000 0.000 0.270 279 Q C -1.351 174.036 176.000 -1.023 0.000 1.038 279 Q CA -0.776 54.635 55.803 -0.653 0.000 0.812 279 Q CB 2.275 30.628 28.738 -0.640 0.000 1.300 279 Q HN 0.735 nan 8.270 nan 0.000 0.427 280 A N 3.094 125.703 122.820 -0.351 0.000 2.274 280 A HA 0.775 5.095 4.320 -0.000 0.000 0.309 280 A C -1.121 176.439 177.584 -0.039 0.000 1.226 280 A CA -0.258 51.747 52.037 -0.054 0.000 0.853 280 A CB 0.190 19.416 19.000 0.376 0.000 1.146 280 A HN 0.649 nan 8.150 nan 0.000 0.518 281 F N 0.810 120.845 119.950 0.141 0.000 2.508 281 F HA 0.489 5.016 4.527 -0.000 0.000 0.325 281 F C 0.530 176.406 175.800 0.127 0.000 1.090 281 F CA -0.655 57.416 58.000 0.118 0.000 0.945 281 F CB 2.917 41.961 39.000 0.073 0.000 1.156 281 F HN 0.399 nan 8.300 nan 0.000 0.463 282 T N 4.491 119.262 114.554 0.361 0.000 2.864 282 T HA 0.493 4.843 4.350 -0.000 0.000 0.310 282 T C -0.406 174.386 174.700 0.153 0.000 1.040 282 T CA -0.358 61.901 62.100 0.266 0.000 0.977 282 T CB 0.267 69.336 68.868 0.334 0.000 0.976 282 T HN 0.291 nan 8.240 nan 0.000 0.459 283 I N 3.188 123.749 120.570 -0.016 0.000 2.339 283 I HA 0.410 4.580 4.170 -0.000 0.000 0.290 283 I C 0.144 175.951 176.117 -0.517 0.000 0.994 283 I CA -1.086 60.062 61.300 -0.253 0.000 1.191 283 I CB 1.422 39.288 38.000 -0.224 0.000 1.343 283 I HN 0.209 nan 8.210 nan 0.000 0.458 284 K N 7.788 127.594 120.400 -0.991 0.000 2.284 284 K HA 0.455 4.775 4.320 -0.000 0.000 0.287 284 K C -0.918 175.192 176.600 -0.817 0.000 1.081 284 K CA -0.063 55.473 56.287 -1.253 0.000 0.910 284 K CB 0.266 31.444 32.500 -2.204 0.000 1.088 284 K HN 0.530 nan 8.250 nan 0.000 0.478 285 L N 4.188 125.051 121.223 -0.599 0.000 2.439 285 L HA 0.316 4.656 4.340 -0.000 0.000 0.259 285 L C 1.227 177.885 176.870 -0.353 0.000 1.129 285 L CA -0.513 54.080 54.840 -0.412 0.000 0.803 285 L CB 0.903 42.783 42.059 -0.297 0.000 1.161 285 L HN 0.672 nan 8.230 nan 0.000 0.462 286 K N 0.462 120.709 120.400 -0.254 0.000 2.418 286 K HA 0.026 4.346 4.320 -0.000 0.000 0.195 286 K C -0.157 176.357 176.600 -0.143 0.000 1.035 286 K CA 0.569 56.745 56.287 -0.185 0.000 1.003 286 K CB 0.222 32.638 32.500 -0.141 0.000 0.793 286 K HN 0.474 nan 8.250 nan 0.000 0.494 287 K N -0.087 120.227 120.400 -0.143 0.000 2.555 287 K HA 0.196 4.516 4.320 -0.000 0.000 0.279 287 K C -1.807 174.733 176.600 -0.100 0.000 0.986 287 K CA -0.946 55.280 56.287 -0.103 0.000 0.880 287 K CB 1.432 33.885 32.500 -0.078 0.000 1.474 287 K HN -0.321 nan 8.250 nan 0.000 0.433 288 D N 2.060 122.417 120.400 -0.070 0.000 2.339 288 D HA 0.313 4.953 4.640 -0.000 0.000 0.241 288 D C -0.873 175.399 176.300 -0.047 0.000 1.183 288 D CA -0.173 53.794 54.000 -0.056 0.000 0.859 288 D CB 0.331 41.111 40.800 -0.034 0.000 1.067 288 D HN 0.497 nan 8.370 nan 0.000 0.484 289 L N 4.573 125.766 121.223 -0.050 0.000 2.354 289 L HA 0.512 4.852 4.340 -0.000 0.000 0.269 289 L C -2.097 174.755 176.870 -0.029 0.000 1.005 289 L CA -2.264 52.552 54.840 -0.040 0.000 0.819 289 L CB 2.218 44.248 42.059 -0.049 0.000 1.311 289 L HN 0.241 nan 8.230 nan 0.000 0.423 290 P HA -0.015 nan 4.420 nan 0.000 0.269 290 P C 0.562 177.853 177.300 -0.014 0.000 1.215 290 P CA -0.379 62.712 63.100 -0.014 0.000 0.780 290 P CB 0.719 32.413 31.700 -0.011 0.000 0.898 291 L N 2.551 123.770 121.223 -0.008 0.000 2.017 291 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 291 L C 1.868 178.736 176.870 -0.003 0.000 1.073 291 L CA 2.215 57.052 54.840 -0.004 0.000 0.745 291 L CB -0.978 41.083 42.059 0.003 0.000 0.894 291 L HN 0.520 nan 8.230 nan 0.000 0.432 292 E N -0.356 119.843 120.200 -0.002 0.000 2.130 292 E HA -0.309 4.041 4.350 -0.000 0.000 0.196 292 E C 2.052 178.650 176.600 -0.003 0.000 0.998 292 E CA 1.768 58.167 56.400 -0.001 0.000 0.806 292 E CB 0.022 29.721 29.700 -0.002 0.000 0.738 292 E HN 0.518 nan 8.360 nan 0.000 0.459 293 E N 0.079 120.275 120.200 -0.008 0.000 2.072 293 E HA -0.172 4.178 4.350 -0.000 0.000 0.191 293 E C 2.057 178.650 176.600 -0.012 0.000 0.985 293 E CA 0.878 57.272 56.400 -0.011 0.000 0.801 293 E CB -0.016 29.674 29.700 -0.016 0.000 0.750 293 E HN 0.301 nan 8.360 nan 0.000 0.452 294 I N 1.145 121.705 120.570 -0.016 0.000 2.226 294 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 294 I C 2.153 178.267 176.117 -0.005 0.000 1.100 294 I CA 1.288 62.577 61.300 -0.019 0.000 1.374 294 I CB -0.220 37.764 38.000 -0.026 0.000 1.057 294 I HN 0.162 nan 8.210 nan 0.000 0.413 295 E N 0.481 120.683 120.200 0.003 0.000 2.077 295 E HA -0.268 4.082 4.350 -0.000 0.000 0.193 295 E C 2.180 178.788 176.600 0.013 0.000 0.989 295 E CA 1.080 57.488 56.400 0.013 0.000 0.800 295 E CB -0.165 29.544 29.700 0.014 0.000 0.746 295 E HN 0.577 nan 8.360 nan 0.000 0.452 296 Q N 0.421 120.225 119.800 0.007 0.000 2.124 296 Q HA -0.130 4.210 4.340 -0.000 0.000 0.202 296 Q C 2.270 178.277 176.000 0.011 0.000 0.977 296 Q CA 1.011 56.818 55.803 0.006 0.000 0.850 296 Q CB -0.096 28.642 28.738 0.000 0.000 0.901 296 Q HN 0.363 nan 8.270 nan 0.000 0.429 297 I N 0.294 120.869 120.570 0.008 0.000 2.315 297 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 297 I C 2.107 178.246 176.117 0.037 0.000 1.117 297 I CA 1.052 62.361 61.300 0.015 0.000 1.404 297 I CB -0.148 37.851 38.000 -0.003 0.000 1.071 297 I HN 0.211 nan 8.210 nan 0.000 0.419 298 I N 0.650 121.238 120.570 0.030 0.000 2.233 298 I HA -0.207 3.963 4.170 -0.000 0.000 0.243 298 I C 2.763 178.918 176.117 0.063 0.000 1.093 298 I CA 1.161 62.487 61.300 0.043 0.000 1.380 298 I CB -0.406 37.615 38.000 0.034 0.000 1.067 298 I HN 0.135 nan 8.210 nan 0.000 0.413 299 A N -0.002 122.845 122.820 0.045 0.000 2.015 299 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 299 A C 2.387 179.990 177.584 0.032 0.000 1.163 299 A CA 1.857 53.917 52.037 0.037 0.000 0.646 299 A CB -0.505 18.508 19.000 0.021 0.000 0.806 299 A HN 0.385 nan 8.150 nan 0.000 0.448 300 S N -1.284 114.438 115.700 0.036 0.000 2.489 300 S HA -0.075 4.395 4.470 -0.000 0.000 0.228 300 S C 1.775 176.389 174.600 0.023 0.000 0.995 300 S CA 0.497 58.706 58.200 0.016 0.000 0.934 300 S CB -0.486 62.719 63.200 0.008 0.000 0.771 300 S HN 0.769 nan 8.310 nan 0.000 0.522 301 H N 2.976 122.041 119.070 -0.009 0.000 2.352 301 H HA -0.071 4.485 4.556 -0.000 0.000 0.299 301 H C 0.473 175.799 175.328 -0.003 0.000 1.097 301 H CA 1.890 57.938 56.048 -0.000 0.000 1.311 301 H CB 0.095 29.865 29.762 0.014 0.000 1.377 301 H HN 0.614 nan 8.280 nan 0.000 0.504 302 N N -1.513 117.202 118.700 0.025 0.000 2.927 302 N HA -0.021 4.719 4.740 -0.000 0.000 0.248 302 N C 0.017 175.448 175.510 -0.131 0.000 1.443 302 N CA -0.276 52.751 53.050 -0.039 0.000 0.870 302 N CB 0.513 39.121 38.487 0.202 0.000 1.444 302 N HN 0.142 nan 8.380 nan 0.000 0.519 303 E N -0.971 118.963 120.200 -0.443 0.000 2.502 303 E HA -0.004 4.346 4.350 -0.000 0.000 0.194 303 E C -0.202 176.037 176.600 -0.602 0.000 1.062 303 E CA 0.120 56.152 56.400 -0.613 0.000 0.867 303 E CB -0.108 29.070 29.700 -0.870 0.000 0.888 303 E HN 0.650 nan 8.360 nan 0.000 0.510 304 W N 1.120 122.439 121.300 0.031 0.000 2.640 304 W HA 0.257 4.917 4.660 -0.000 0.000 0.271 304 W C 1.064 177.603 176.519 0.033 0.000 1.218 304 W CA -0.491 56.892 57.345 0.063 0.000 1.382 304 W CB -0.035 29.466 29.460 0.069 0.000 1.067 304 W HN -0.101 nan 8.180 nan 0.000 0.590 305 V N 3.142 123.168 119.914 0.188 0.000 2.763 305 V HA 0.017 4.137 4.120 -0.000 0.000 0.306 305 V C 0.039 176.186 176.094 0.088 0.000 1.059 305 V CA 0.663 63.036 62.300 0.121 0.000 1.138 305 V CB 0.809 32.690 31.823 0.097 0.000 0.940 305 V HN 0.021 nan 8.190 nan 0.000 0.489 306 K N 5.338 125.790 120.400 0.086 0.000 2.578 306 K HA 0.509 4.829 4.320 -0.000 0.000 0.250 306 K C -1.499 175.138 176.600 0.062 0.000 0.955 306 K CA -0.712 55.615 56.287 0.066 0.000 0.825 306 K CB 1.943 34.487 32.500 0.074 0.000 1.151 306 K HN 0.557 nan 8.250 nan 0.000 0.432 307 V N 5.970 125.914 119.914 0.050 0.000 2.455 307 V HA 0.193 4.313 4.120 -0.000 0.000 0.273 307 V C 0.201 176.321 176.094 0.044 0.000 1.045 307 V CA -0.486 61.844 62.300 0.049 0.000 0.976 307 V CB 0.753 32.600 31.823 0.040 0.000 0.993 307 V HN 0.622 nan 8.190 nan 0.000 0.475 308 I N 8.476 129.076 120.570 0.051 0.000 2.304 308 I HA 0.331 4.501 4.170 -0.000 0.000 0.291 308 I C -1.825 174.313 176.117 0.035 0.000 1.018 308 I CA -2.874 58.452 61.300 0.043 0.000 1.260 308 I CB 1.124 39.155 38.000 0.051 0.000 1.390 308 I HN 0.410 nan 8.210 nan 0.000 0.475 309 P HA -0.051 nan 4.420 nan 0.000 0.265 309 P C 0.029 177.338 177.300 0.016 0.000 1.187 309 P CA -0.127 62.984 63.100 0.019 0.000 0.766 309 P CB 0.582 32.290 31.700 0.014 0.000 0.820 310 N N 1.926 120.634 118.700 0.014 0.000 2.950 310 N HA -0.023 4.717 4.740 -0.000 0.000 0.313 310 N C -0.757 174.752 175.510 -0.000 0.000 1.213 310 N CA 0.271 53.326 53.050 0.008 0.000 1.184 310 N CB -0.954 37.539 38.487 0.010 0.000 1.454 310 N HN 0.386 nan 8.380 nan 0.000 0.532 311 D N -0.566 119.832 120.400 -0.003 0.000 2.619 311 D HA 0.212 4.852 4.640 -0.000 0.000 0.241 311 D C 0.887 177.180 176.300 -0.013 0.000 1.087 311 D CA -0.752 53.245 54.000 -0.006 0.000 0.851 311 D CB 1.396 42.195 40.800 -0.001 0.000 1.474 311 D HN 0.058 nan 8.370 nan 0.000 0.478 312 K N 2.100 122.490 120.400 -0.017 0.000 1.978 312 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 312 K C 1.513 178.102 176.600 -0.019 0.000 1.049 312 K CA 1.607 57.880 56.287 -0.023 0.000 0.939 312 K CB 0.009 32.496 32.500 -0.022 0.000 0.721 312 K HN 0.621 nan 8.250 nan 0.000 0.441 313 E N 0.366 120.559 120.200 -0.011 0.000 2.085 313 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 313 E C 2.035 178.633 176.600 -0.004 0.000 0.994 313 E CA 1.627 58.022 56.400 -0.007 0.000 0.801 313 E CB -0.080 29.618 29.700 -0.004 0.000 0.743 313 E HN 0.420 nan 8.360 nan 0.000 0.453 314 I N 0.332 120.901 120.570 -0.001 0.000 2.252 314 I HA -0.213 3.957 4.170 -0.000 0.000 0.245 314 I C 2.449 178.569 176.117 0.005 0.000 1.102 314 I CA 1.186 62.489 61.300 0.005 0.000 1.385 314 I CB -0.393 37.612 38.000 0.008 0.000 1.064 314 I HN 0.138 nan 8.210 nan 0.000 0.414 315 T N 1.347 115.898 114.554 -0.004 0.000 2.708 315 T HA -0.148 4.202 4.350 -0.000 0.000 0.266 315 T C 1.877 176.567 174.700 -0.018 0.000 1.037 315 T CA 1.297 63.390 62.100 -0.012 0.000 1.146 315 T CB -0.257 68.589 68.868 -0.036 0.000 0.865 315 T HN 0.081 nan 8.240 nan 0.000 0.435 316 L N 0.753 121.962 121.223 -0.023 0.000 2.131 316 L HA 0.029 4.369 4.340 -0.000 0.000 0.210 316 L C 2.487 179.354 176.870 -0.004 0.000 1.092 316 L CA 1.556 56.383 54.840 -0.022 0.000 0.759 316 L CB -0.513 41.533 42.059 -0.021 0.000 0.903 316 L HN 0.141 nan 8.230 nan 0.000 0.435 317 R N -1.131 119.371 120.500 0.004 0.000 2.140 317 R HA -0.030 4.309 4.340 -0.000 0.000 0.213 317 R C 1.661 177.975 176.300 0.023 0.000 1.059 317 R CA 0.732 56.839 56.100 0.013 0.000 1.000 317 R CB 0.283 30.590 30.300 0.013 0.000 0.910 317 R HN 0.287 nan 8.270 nan 0.000 0.455 318 E N 0.095 120.311 120.200 0.026 0.000 2.244 318 E HA -0.018 4.332 4.350 -0.000 0.000 0.196 318 E C 0.197 176.831 176.600 0.056 0.000 0.939 318 E CA 0.182 56.607 56.400 0.041 0.000 0.884 318 E CB 0.238 29.963 29.700 0.041 0.000 0.850 318 E HN 0.102 nan 8.360 nan 0.000 0.481 319 L N 2.610 123.866 121.223 0.054 0.000 2.719 319 L HA 0.185 4.525 4.340 -0.000 0.000 0.236 319 L C -0.398 176.531 176.870 0.100 0.000 1.285 319 L CA 0.177 55.073 54.840 0.093 0.000 1.222 319 L CB -0.322 41.800 42.059 0.105 0.000 1.493 319 L HN -0.005 nan 8.230 nan 0.000 0.415 320 T N -2.527 112.078 114.554 0.085 0.000 2.868 320 T HA 0.481 4.831 4.350 -0.000 0.000 0.306 320 T C -2.410 172.336 174.700 0.077 0.000 1.224 320 T CA -1.513 60.634 62.100 0.078 0.000 1.012 320 T CB 1.753 70.645 68.868 0.041 0.000 1.221 320 T HN -0.166 nan 8.240 nan 0.000 0.499 321 P HA -0.008 nan 4.420 nan 0.000 0.216 321 P C 1.766 179.101 177.300 0.058 0.000 1.150 321 P CA 1.714 64.858 63.100 0.072 0.000 0.837 321 P CB -0.244 31.503 31.700 0.078 0.000 0.786 322 A N -0.145 122.705 122.820 0.050 0.000 1.917 322 A HA -0.281 4.039 4.320 -0.000 0.000 0.219 322 A C 2.263 179.872 177.584 0.042 0.000 1.182 322 A CA 2.457 54.518 52.037 0.041 0.000 0.633 322 A CB -1.094 17.927 19.000 0.034 0.000 0.819 322 A HN 0.102 nan 8.150 nan 0.000 0.448 323 K N -0.007 120.421 120.400 0.046 0.000 2.021 323 K HA -0.052 4.268 4.320 -0.000 0.000 0.205 323 K C 1.788 178.422 176.600 0.056 0.000 1.047 323 K CA 1.893 58.209 56.287 0.048 0.000 0.943 323 K CB -0.691 31.838 32.500 0.050 0.000 0.725 323 K HN 0.504 nan 8.250 nan 0.000 0.439 324 V N -1.117 118.836 119.914 0.065 0.000 2.871 324 V HA 0.074 4.194 4.120 -0.000 0.000 0.256 324 V C 0.401 176.533 176.094 0.064 0.000 1.082 324 V CA 0.608 62.952 62.300 0.074 0.000 1.105 324 V CB -1.109 30.766 31.823 0.087 0.000 0.713 324 V HN 0.155 nan 8.190 nan 0.000 0.473 325 T N 2.423 117.008 114.554 0.051 0.000 2.891 325 T HA 0.361 4.711 4.350 -0.000 0.000 0.296 325 T C 1.333 176.051 174.700 0.030 0.000 1.025 325 T CA 1.430 63.553 62.100 0.038 0.000 1.149 325 T CB 0.134 69.022 68.868 0.035 0.000 1.007 325 T HN 1.432 nan 8.240 nan 0.000 0.528 326 G N 2.825 111.635 108.800 0.017 0.000 2.168 326 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.263 326 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.263 326 G C 0.357 175.263 174.900 0.010 0.000 0.977 326 G CA 0.581 45.684 45.100 0.005 0.000 0.659 326 G HN 1.203 nan 8.290 nan 0.000 0.533 327 T N -2.453 112.121 114.554 0.034 0.000 2.940 327 T HA 0.728 5.078 4.350 -0.000 0.000 0.288 327 T C 1.145 175.892 174.700 0.079 0.000 1.045 327 T CA -0.552 61.584 62.100 0.060 0.000 1.018 327 T CB 1.850 70.772 68.868 0.091 0.000 1.151 327 T HN 0.273 nan 8.240 nan 0.000 0.529 328 L N 0.979 122.281 121.223 0.131 0.000 2.592 328 L HA 0.262 4.602 4.340 -0.000 0.000 0.227 328 L C 1.510 178.684 176.870 0.507 0.000 1.127 328 L CA -0.209 54.758 54.840 0.212 0.000 0.884 328 L CB 0.073 42.224 42.059 0.153 0.000 1.065 328 L HN 0.716 nan 8.230 nan 0.000 0.457 329 S N 0.253 116.165 115.700 0.354 0.000 2.564 329 S HA 0.268 4.738 4.470 -0.000 0.000 0.278 329 S C -0.028 174.734 174.600 0.269 0.000 1.333 329 S CA -0.345 58.048 58.200 0.322 0.000 1.048 329 S CB 0.947 64.271 63.200 0.207 0.000 0.900 329 S HN -0.012 nan 8.310 nan 0.000 0.505 330 V N 8.154 128.208 119.914 0.233 0.000 2.313 330 V HA 0.355 4.475 4.120 -0.000 0.000 0.262 330 V C -2.145 174.020 176.094 0.118 0.000 1.011 330 V CA -1.531 60.861 62.300 0.154 0.000 0.858 330 V CB 0.885 32.766 31.823 0.096 0.000 1.104 330 V HN 0.751 nan 8.190 nan 0.000 0.456 331 P HA 0.247 nan 4.420 nan 0.000 0.275 331 P C -0.700 176.651 177.300 0.085 0.000 1.227 331 P CA 0.131 63.288 63.100 0.094 0.000 0.781 331 P CB 2.601 34.356 31.700 0.093 0.000 0.906 332 V N 2.383 122.350 119.914 0.088 0.000 2.686 332 V HA 0.825 4.945 4.120 -0.000 0.000 0.306 332 V C -0.222 175.932 176.094 0.101 0.000 1.065 332 V CA -0.087 62.271 62.300 0.096 0.000 0.894 332 V CB 1.653 33.537 31.823 0.102 0.000 1.004 332 V HN 0.887 nan 8.190 nan 0.000 0.424 333 G N 4.184 113.059 108.800 0.126 0.000 2.815 333 G HA2 0.597 4.557 3.960 -0.000 0.000 0.305 333 G HA3 0.597 4.557 3.960 -0.000 0.000 0.305 333 G C -0.488 174.479 174.900 0.112 0.000 1.277 333 G CA -0.571 44.591 45.100 0.102 0.000 0.795 333 G HN 0.824 nan 8.290 nan 0.000 0.528 334 R N -1.483 119.058 120.500 0.067 0.000 3.770 334 R HA -0.132 4.207 4.340 -0.000 0.000 0.305 334 R C 0.005 176.346 176.300 0.068 0.000 1.184 334 R CA 0.302 56.432 56.100 0.050 0.000 0.823 334 R CB -2.581 27.747 30.300 0.046 0.000 1.285 334 R HN 0.458 nan 8.270 nan 0.000 0.499 335 L N 1.810 123.071 121.223 0.064 0.000 2.361 335 L HA 0.263 4.603 4.340 -0.000 0.000 0.278 335 L C 1.195 178.091 176.870 0.042 0.000 1.113 335 L CA 0.368 55.243 54.840 0.060 0.000 0.849 335 L CB 0.418 42.508 42.059 0.052 0.000 1.155 335 L HN 0.263 nan 8.230 nan 0.000 0.452 336 R N 1.942 122.469 120.500 0.045 0.000 2.741 336 R HA 0.464 4.804 4.340 -0.000 0.000 0.276 336 R C -1.619 174.706 176.300 0.040 0.000 1.028 336 R CA -1.223 54.898 56.100 0.034 0.000 0.865 336 R CB 0.954 31.272 30.300 0.030 0.000 1.268 336 R HN 0.055 nan 8.270 nan 0.000 0.475 337 K N 1.639 122.060 120.400 0.035 0.000 2.249 337 K HA 0.346 4.666 4.320 -0.000 0.000 0.280 337 K C -0.032 176.601 176.600 0.055 0.000 1.033 337 K CA -0.392 55.923 56.287 0.046 0.000 0.946 337 K CB 0.705 33.227 32.500 0.037 0.000 1.005 337 K HN 0.473 nan 8.250 nan 0.000 0.469 338 L N 1.191 122.463 121.223 0.082 0.000 2.439 338 L HA 0.182 4.522 4.340 -0.000 0.000 0.259 338 L C 1.619 178.497 176.870 0.014 0.000 1.129 338 L CA -0.303 54.571 54.840 0.056 0.000 0.803 338 L CB 0.850 42.957 42.059 0.079 0.000 1.161 338 L HN 0.725 nan 8.230 nan 0.000 0.462 339 A N 1.327 124.134 122.820 -0.022 0.000 2.070 339 A HA -0.169 4.151 4.320 -0.000 0.000 0.220 339 A C 1.959 179.483 177.584 -0.100 0.000 1.159 339 A CA 1.493 53.504 52.037 -0.043 0.000 0.656 339 A CB -0.455 18.523 19.000 -0.038 0.000 0.800 339 A HN 0.799 nan 8.150 nan 0.000 0.453 340 M N -1.122 118.340 119.600 -0.230 0.000 2.296 340 M HA 0.169 4.649 4.480 -0.000 0.000 0.265 340 M C 1.072 177.229 176.300 -0.238 0.000 1.064 340 M CA 1.344 56.369 55.300 -0.459 0.000 1.109 340 M CB -0.316 31.538 32.600 -1.242 0.000 1.396 340 M HN 0.513 nan 8.290 nan 0.000 0.430 341 G N -1.815 106.994 108.800 0.015 0.000 2.347 341 G HA2 0.205 4.165 3.960 -0.000 0.000 0.303 341 G HA3 0.205 4.165 3.960 -0.000 0.000 0.303 341 G C -2.706 172.326 174.900 0.221 0.000 1.481 341 G CA -0.895 44.322 45.100 0.194 0.000 0.914 341 G HN -0.138 nan 8.290 nan 0.000 0.638 342 P HA -0.032 nan 4.420 nan 0.000 0.231 342 P C 0.636 177.944 177.300 0.013 0.000 1.158 342 P CA 1.111 64.243 63.100 0.054 0.000 0.763 342 P CB 0.343 32.058 31.700 0.025 0.000 0.805 343 E N -1.704 118.497 120.200 0.002 0.000 2.476 343 E HA 0.070 4.420 4.350 -0.000 0.000 0.196 343 E C -0.446 175.925 176.600 -0.382 0.000 1.029 343 E CA -0.175 56.111 56.400 -0.191 0.000 0.896 343 E CB 0.031 29.579 29.700 -0.253 0.000 1.012 343 E HN 0.359 nan 8.360 nan 0.000 0.475 344 Y N 0.869 121.100 120.300 -0.114 0.000 2.334 344 Y HA 0.309 4.859 4.550 -0.000 0.000 0.336 344 Y C -0.370 175.480 175.900 -0.083 0.000 0.960 344 Y CA -1.021 57.003 58.100 -0.126 0.000 1.164 344 Y CB 1.052 39.472 38.460 -0.065 0.000 1.155 344 Y HN -0.021 nan 8.280 nan 0.000 0.478 345 L N 3.719 124.939 121.223 -0.005 0.000 2.307 345 L HA 0.876 5.216 4.340 -0.000 0.000 0.284 345 L C -0.398 176.517 176.870 0.074 0.000 1.023 345 L CA -0.559 54.291 54.840 0.016 0.000 0.810 345 L CB 1.083 43.116 42.059 -0.044 0.000 1.231 345 L HN 0.635 nan 8.230 nan 0.000 0.423 346 A N 4.339 127.217 122.820 0.095 0.000 2.306 346 A HA 0.934 5.254 4.320 -0.000 0.000 0.314 346 A C -0.560 177.112 177.584 0.148 0.000 1.164 346 A CA 0.149 52.266 52.037 0.132 0.000 0.822 346 A CB 0.776 19.841 19.000 0.109 0.000 1.130 346 A HN 1.272 nan 8.150 nan 0.000 0.496 347 A N 1.227 124.172 122.820 0.208 0.000 2.566 347 A HA 0.687 5.007 4.320 -0.000 0.000 0.297 347 A C -1.544 176.150 177.584 0.183 0.000 1.059 347 A CA -0.335 51.834 52.037 0.220 0.000 0.691 347 A CB 0.882 20.053 19.000 0.286 0.000 1.282 347 A HN 1.447 nan 8.150 nan 0.000 0.401 348 F N 1.118 121.048 119.950 -0.033 0.000 2.547 348 F HA 0.747 5.274 4.527 -0.000 0.000 0.316 348 F C 0.026 175.750 175.800 -0.126 0.000 1.121 348 F CA 0.118 58.023 58.000 -0.157 0.000 0.911 348 F CB 2.326 41.248 39.000 -0.130 0.000 1.179 348 F HN 0.697 nan 8.300 nan 0.000 0.443 349 T N 4.613 118.774 114.554 -0.656 0.000 2.906 349 T HA 0.808 5.158 4.350 -0.000 0.000 0.295 349 T C -1.900 172.563 174.700 -0.396 0.000 1.075 349 T CA -0.494 61.419 62.100 -0.312 0.000 1.005 349 T CB 1.505 70.297 68.868 -0.127 0.000 1.136 349 T HN 0.403 nan 8.240 nan 0.000 0.498 350 V N 1.927 121.775 119.914 -0.109 0.000 2.686 350 V HA 0.879 4.999 4.120 -0.000 0.000 0.306 350 V C 0.359 176.477 176.094 0.039 0.000 1.065 350 V CA -0.536 61.742 62.300 -0.037 0.000 0.894 350 V CB 1.710 33.565 31.823 0.054 0.000 1.004 350 V HN 1.166 nan 8.190 nan 0.000 0.424 351 G N 1.411 110.248 108.800 0.061 0.000 2.696 351 G HA2 0.470 4.430 3.960 -0.000 0.000 0.295 351 G HA3 0.470 4.430 3.960 -0.000 0.000 0.295 351 G C -1.660 173.286 174.900 0.077 0.000 1.398 351 G CA -0.485 44.675 45.100 0.100 0.000 0.920 351 G HN 0.598 nan 8.290 nan 0.000 0.492 352 D N 0.788 121.237 120.400 0.083 0.000 2.371 352 D HA 0.008 4.648 4.640 -0.000 0.000 0.256 352 D C 1.063 177.343 176.300 -0.033 0.000 1.193 352 D CA -0.203 53.808 54.000 0.018 0.000 0.881 352 D CB 1.411 42.222 40.800 0.019 0.000 1.143 352 D HN 0.408 nan 8.370 nan 0.000 0.473 353 Q N 3.946 123.655 119.800 -0.153 0.000 2.224 353 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 353 Q C 1.640 177.571 176.000 -0.115 0.000 0.970 353 Q CA 0.922 56.572 55.803 -0.255 0.000 0.865 353 Q CB 0.219 28.603 28.738 -0.590 0.000 0.922 353 Q HN 0.687 nan 8.270 nan 0.000 0.445 354 L N -0.268 120.905 121.223 -0.084 0.000 2.375 354 L HA -0.007 4.333 4.340 -0.000 0.000 0.215 354 L C 1.979 178.799 176.870 -0.083 0.000 1.108 354 L CA 0.084 54.887 54.840 -0.062 0.000 0.830 354 L CB 0.006 42.035 42.059 -0.049 0.000 0.959 354 L HN 0.145 nan 8.230 nan 0.000 0.457 355 L N -1.751 119.406 121.223 -0.110 0.000 2.334 355 L HA -0.012 4.328 4.340 -0.000 0.000 0.195 355 L C 2.023 178.742 176.870 -0.252 0.000 1.281 355 L CA 0.871 55.570 54.840 -0.235 0.000 1.004 355 L CB -0.646 41.237 42.059 -0.293 0.000 1.119 355 L HN 0.130 nan 8.230 nan 0.000 0.575 356 W N 0.208 121.448 121.300 -0.099 0.000 2.465 356 W HA -0.055 4.605 4.660 0.000 0.000 0.268 356 W C 2.127 178.610 176.519 -0.060 0.000 1.242 356 W CA 0.676 57.955 57.345 -0.110 0.000 1.248 356 W CB -0.327 29.064 29.460 -0.116 0.000 1.118 356 W HN 0.297 nan 8.180 nan 0.000 0.587 357 G N -0.919 107.963 108.800 0.136 0.000 2.777 357 G HA2 0.256 4.216 3.960 -0.000 0.000 0.211 357 G HA3 0.256 4.216 3.960 -0.000 0.000 0.211 357 G C 0.960 175.896 174.900 0.060 0.000 1.149 357 G CA 0.896 46.053 45.100 0.095 0.000 0.785 357 G HN 0.258 nan 8.290 nan 0.000 0.536 358 A N -0.339 122.493 122.820 0.021 0.000 1.702 358 A HA 0.694 5.014 4.320 -0.000 0.000 0.151 358 A C 2.121 179.696 177.584 -0.014 0.000 1.611 358 A CA 1.226 53.271 52.037 0.013 0.000 1.414 358 A CB -0.897 18.107 19.000 0.005 0.000 1.183 358 A HN 0.600 nan 8.150 nan 0.000 0.917 359 A N -0.247 122.540 122.820 -0.055 0.000 1.968 359 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 359 A C 1.756 179.257 177.584 -0.138 0.000 1.169 359 A CA 2.229 54.222 52.037 -0.073 0.000 0.638 359 A CB -0.433 18.524 19.000 -0.072 0.000 0.812 359 A HN 0.513 nan 8.150 nan 0.000 0.446 360 E N 0.211 120.260 120.200 -0.252 0.000 2.077 360 E HA -0.098 4.252 4.350 -0.000 0.000 0.193 360 E C -0.755 175.693 176.600 -0.253 0.000 0.989 360 E CA 1.803 57.948 56.400 -0.426 0.000 0.800 360 E CB -0.899 28.216 29.700 -0.976 0.000 0.746 360 E HN 0.431 nan 8.360 nan 0.000 0.452 361 P HA -0.091 nan 4.420 nan 0.000 0.221 361 P C 1.187 178.491 177.300 0.007 0.000 1.150 361 P CA 0.821 63.949 63.100 0.047 0.000 0.800 361 P CB 0.176 31.946 31.700 0.117 0.000 0.787 362 V N -0.143 119.763 119.914 -0.013 0.000 2.379 362 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 362 V C 2.627 178.696 176.094 -0.041 0.000 1.044 362 V CA 1.493 63.788 62.300 -0.008 0.000 1.036 362 V CB -0.903 30.923 31.823 0.005 0.000 0.664 362 V HN 0.059 nan 8.190 nan 0.000 0.453 363 R N 0.361 120.816 120.500 -0.075 0.000 2.081 363 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 363 R C 2.531 178.770 176.300 -0.101 0.000 1.131 363 R CA 1.680 57.721 56.100 -0.098 0.000 0.960 363 R CB -0.137 30.076 30.300 -0.144 0.000 0.856 363 R HN 0.468 nan 8.270 nan 0.000 0.436 364 R N -0.030 120.411 120.500 -0.097 0.000 2.075 364 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 364 R C 2.324 178.577 176.300 -0.078 0.000 1.126 364 R CA 1.213 57.271 56.100 -0.070 0.000 0.963 364 R CB -0.524 29.759 30.300 -0.028 0.000 0.858 364 R HN 0.213 nan 8.270 nan 0.000 0.435 365 I N 1.265 121.786 120.570 -0.083 0.000 2.394 365 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 365 I C 1.930 177.935 176.117 -0.187 0.000 1.136 365 I CA 0.980 62.189 61.300 -0.151 0.000 1.425 365 I CB -0.174 37.743 38.000 -0.138 0.000 1.079 365 I HN 0.065 nan 8.210 nan 0.000 0.425 366 L N 0.637 121.780 121.223 -0.134 0.000 2.093 366 L HA -0.184 4.156 4.340 -0.000 0.000 0.208 366 L C 2.424 179.211 176.870 -0.139 0.000 1.085 366 L CA 1.922 56.680 54.840 -0.136 0.000 0.755 366 L CB -0.910 41.095 42.059 -0.090 0.000 0.904 366 L HN 0.242 nan 8.230 nan 0.000 0.435 367 K N -1.073 119.254 120.400 -0.121 0.000 2.097 367 K HA -0.193 4.127 4.320 -0.000 0.000 0.206 367 K C 2.123 178.653 176.600 -0.116 0.000 1.049 367 K CA 1.623 57.846 56.287 -0.106 0.000 0.933 367 K CB -0.068 32.382 32.500 -0.083 0.000 0.717 367 K HN 0.514 nan 8.250 nan 0.000 0.442 368 Q N 0.150 119.865 119.800 -0.142 0.000 2.123 368 Q HA -0.070 4.270 4.340 -0.000 0.000 0.199 368 Q C 2.063 177.933 176.000 -0.218 0.000 0.966 368 Q CA 1.096 56.801 55.803 -0.163 0.000 0.845 368 Q CB 0.063 28.689 28.738 -0.186 0.000 0.907 368 Q HN 0.342 nan 8.270 nan 0.000 0.439 369 L N 0.390 121.445 121.223 -0.281 0.000 2.275 369 L HA -0.088 4.252 4.340 -0.000 0.000 0.215 369 L C 2.028 178.747 176.870 -0.251 0.000 1.119 369 L CA 0.576 55.195 54.840 -0.368 0.000 0.790 369 L CB -0.164 41.624 42.059 -0.452 0.000 0.919 369 L HN 0.196 nan 8.230 nan 0.000 0.443 370 V N -4.167 115.647 119.914 -0.166 0.000 3.621 370 V HA 0.411 4.531 4.120 -0.000 0.000 0.285 370 V C 1.274 177.320 176.094 -0.081 0.000 1.346 370 V CA -0.097 62.139 62.300 -0.106 0.000 1.104 370 V CB -0.660 31.118 31.823 -0.075 0.000 0.913 370 V HN 0.144 nan 8.190 nan 0.000 0.432 371 A N 0.000 122.765 122.820 -0.092 0.000 2.254 371 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 371 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 371 A CB 0.000 18.957 19.000 -0.071 0.000 0.831 371 A HN 0.000 nan 8.150 nan 0.000 0.486