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 3ale_1_A DATA FIRST_RESID 19 DATA SEQUENCE RSQRADGLAA VLAIGTANPP NCVTQEEIPD FYFRVTNSDH LTALKDKFKR DATA SEQUENCE ICQEMGVQRR YLHHTEEMLS AHPEFVDRDA PSLDARLDIA ADAVPELAAE DATA SEQUENCE AAKKAIAEWG RPAADITHLV VTTNSGAHVP GVDFRLVPLL GLRPSVRRTM DATA SEQUENCE LHLNGCFAGC AALRLAKDLA ENSRGARVLV VAAELTLMYF TGPDEGCFRT DATA SEQUENCE LLVQGLFGDG AAAVIVGADA DDVERPLFEI VSAAQTIIPE SDHALNMRFT DATA SEQUENCE ERRLDGVLGR QVPGLIGDNV ERCLLDMFGP LLXXXXXGGW NDLFWAVHPG DATA SEQUENCE SSTIMDQVDA ALGLEPGKLA ASRRVLSDYG NMSGATVIFA LDELRRQRKX DATA SEQUENCE XXXXXXWPEL GVMMAFGPGM TVDAMLLHAT S 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.308 176.300 0.013 0.000 0.893 19 R CA 0.000 56.107 56.100 0.012 0.000 0.921 19 R CB 0.000 30.307 30.300 0.011 0.000 0.687 20 S N 2.482 118.192 115.700 0.016 0.000 2.641 20 S HA 0.279 4.729 4.470 -0.034 0.000 0.261 20 S C 0.125 174.735 174.600 0.018 0.000 1.257 20 S CA -0.681 57.530 58.200 0.018 0.000 0.983 20 S CB 0.744 63.957 63.200 0.022 0.000 0.990 20 S HN 0.574 nan 8.310 nan 0.000 0.572 21 Q N 1.155 120.966 119.800 0.019 0.000 2.332 21 Q HA 0.228 4.548 4.340 -0.034 0.000 0.263 21 Q C 0.439 176.451 176.000 0.020 0.000 0.979 21 Q CA -0.075 55.739 55.803 0.018 0.000 0.885 21 Q CB 0.534 29.283 28.738 0.018 0.000 1.218 21 Q HN 0.632 nan 8.270 nan 0.000 0.405 22 R N 0.537 121.046 120.500 0.016 0.000 2.856 22 R HA 0.769 5.089 4.340 -0.034 0.000 0.258 22 R C -0.827 175.480 176.300 0.012 0.000 1.066 22 R CA -0.690 55.418 56.100 0.013 0.000 1.045 22 R CB 0.965 31.270 30.300 0.009 0.000 1.178 22 R HN 0.520 nan 8.270 nan 0.000 0.499 23 A N 0.572 123.397 122.820 0.008 0.000 2.313 23 A HA 0.166 4.465 4.320 -0.034 0.000 0.261 23 A C 0.158 177.745 177.584 0.006 0.000 1.090 23 A CA -0.410 51.631 52.037 0.008 0.000 0.807 23 A CB 0.286 19.288 19.000 0.003 0.000 1.055 23 A HN 0.903 nan 8.150 nan 0.000 0.492 24 D N 0.883 121.288 120.400 0.007 0.000 2.214 24 D HA 0.080 4.700 4.640 -0.034 0.000 0.217 24 D C 1.325 177.626 176.300 0.003 0.000 0.973 24 D CA 1.498 55.500 54.000 0.005 0.000 0.880 24 D CB -0.383 40.420 40.800 0.006 0.000 1.031 24 D HN 0.625 nan 8.370 nan 0.000 0.468 25 G N 0.394 109.197 108.800 0.005 0.000 2.510 25 G HA2 0.506 4.446 3.960 -0.034 0.000 0.280 25 G HA3 0.506 4.446 3.960 -0.034 0.000 0.280 25 G C 0.013 174.916 174.900 0.005 0.000 1.386 25 G CA -0.574 44.529 45.100 0.004 0.000 1.047 25 G HN 0.013 nan 8.290 nan 0.000 0.527 26 L N 0.265 121.493 121.223 0.009 0.000 2.436 26 L HA 0.464 4.784 4.340 -0.034 0.000 0.265 26 L C 1.169 178.048 176.870 0.014 0.000 1.168 26 L CA -0.725 54.123 54.840 0.013 0.000 0.815 26 L CB 0.804 42.877 42.059 0.022 0.000 1.109 26 L HN 0.558 nan 8.230 nan 0.000 0.462 27 A N 1.637 124.461 122.820 0.006 0.000 2.445 27 A HA 0.599 4.898 4.320 -0.034 0.000 0.242 27 A C 0.026 177.618 177.584 0.014 0.000 1.075 27 A CA 0.202 52.236 52.037 -0.005 0.000 0.777 27 A CB 0.242 19.230 19.000 -0.021 0.000 1.013 27 A HN 0.825 nan 8.150 nan 0.000 0.493 28 A N 1.320 124.142 122.820 0.003 0.000 2.498 28 A HA 0.624 4.923 4.320 -0.034 0.000 0.298 28 A C -0.744 176.838 177.584 -0.005 0.000 1.075 28 A CA -0.502 51.548 52.037 0.022 0.000 0.714 28 A CB 1.258 20.272 19.000 0.023 0.000 1.299 28 A HN 1.118 nan 8.150 nan 0.000 0.407 29 V N 2.779 122.713 119.914 0.032 0.000 2.389 29 V HA 0.144 4.243 4.120 -0.034 0.000 0.264 29 V C 0.731 176.807 176.094 -0.030 0.000 1.049 29 V CA 0.249 62.559 62.300 0.016 0.000 0.932 29 V CB 0.381 32.285 31.823 0.136 0.000 1.011 29 V HN 0.767 nan 8.190 nan 0.000 0.475 30 L N 4.109 125.284 121.223 -0.080 0.000 2.590 30 L HA 0.611 4.930 4.340 -0.034 0.000 0.227 30 L C 0.745 177.601 176.870 -0.023 0.000 1.099 30 L CA 0.431 55.241 54.840 -0.050 0.000 0.872 30 L CB 0.134 42.151 42.059 -0.069 0.000 1.088 30 L HN 0.731 nan 8.230 nan 0.000 0.479 31 A N 0.491 123.274 122.820 -0.062 0.000 2.590 31 A HA 0.720 5.020 4.320 -0.034 0.000 0.294 31 A C -1.515 176.039 177.584 -0.050 0.000 1.046 31 A CA -0.393 51.628 52.037 -0.027 0.000 0.684 31 A CB 1.135 20.154 19.000 0.032 0.000 1.279 31 A HN 0.015 nan 8.150 nan 0.000 0.415 32 I N 0.684 121.229 120.570 -0.042 0.000 2.656 32 I HA 0.664 4.814 4.170 -0.034 0.000 0.292 32 I C 0.303 176.360 176.117 -0.101 0.000 1.144 32 I CA -0.571 60.685 61.300 -0.074 0.000 1.038 32 I CB 2.716 40.678 38.000 -0.062 0.000 1.244 32 I HN 0.953 nan 8.210 nan 0.000 0.420 33 G N 2.605 111.319 108.800 -0.143 0.000 2.638 33 G HA2 0.737 4.676 3.960 -0.034 0.000 0.302 33 G HA3 0.737 4.676 3.960 -0.034 0.000 0.302 33 G C -0.918 173.818 174.900 -0.275 0.000 1.365 33 G CA -0.452 44.551 45.100 -0.162 0.000 0.987 33 G HN 0.586 nan 8.290 nan 0.000 0.495 34 T N -1.792 112.556 114.554 -0.343 0.000 2.907 34 T HA 0.926 5.256 4.350 -0.034 0.000 0.290 34 T C -0.282 174.279 174.700 -0.232 0.000 1.066 34 T CA -0.386 61.398 62.100 -0.526 0.000 1.012 34 T CB 2.162 70.302 68.868 -1.214 0.000 1.184 34 T HN 2.054 nan 8.240 nan 0.000 0.522 35 A N 1.091 123.853 122.820 -0.097 0.000 2.608 35 A HA 0.798 5.097 4.320 -0.034 0.000 0.292 35 A C -1.733 175.897 177.584 0.076 0.000 1.066 35 A CA -1.131 50.903 52.037 -0.005 0.000 0.676 35 A CB 1.181 20.174 19.000 -0.012 0.000 1.277 35 A HN 0.933 nan 8.150 nan 0.000 0.413 36 N N 0.323 119.026 118.700 0.004 0.000 2.331 36 N HA 0.670 5.389 4.740 -0.034 0.000 0.280 36 N C -3.198 172.329 175.510 0.029 0.000 1.155 36 N CA -1.130 51.920 53.050 0.001 0.000 0.822 36 N CB 1.906 40.269 38.487 -0.206 0.000 1.619 36 N HN 0.376 nan 8.380 nan 0.000 0.476 37 P HA 0.046 nan 4.420 nan 0.000 0.266 37 P C -1.585 175.815 177.300 0.167 0.000 1.193 37 P CA -0.760 62.446 63.100 0.177 0.000 0.770 37 P CB 0.416 32.260 31.700 0.241 0.000 0.836 38 P HA -0.154 nan 4.420 nan 0.000 0.218 38 P C 0.255 177.651 177.300 0.160 0.000 1.149 38 P CA 1.221 64.396 63.100 0.126 0.000 0.817 38 P CB -0.027 31.721 31.700 0.081 0.000 0.785 39 N N 0.559 119.327 118.700 0.113 0.000 2.406 39 N HA 0.038 4.758 4.740 -0.034 0.000 0.269 39 N C -0.804 174.715 175.510 0.016 0.000 1.210 39 N CA -0.229 52.842 53.050 0.035 0.000 0.966 39 N CB -0.734 37.725 38.487 -0.047 0.000 1.293 39 N HN 0.040 nan 8.380 nan 0.000 0.491 40 C N 4.373 123.669 119.300 -0.006 0.000 2.388 40 C HA 0.700 5.139 4.460 -0.034 0.000 0.362 40 C C -0.419 174.409 174.990 -0.270 0.000 1.266 40 C CA -0.425 58.448 59.018 -0.242 0.000 2.028 40 C CB -0.696 26.949 27.740 -0.159 0.000 2.440 40 C HN 0.475 nan 8.230 nan 0.000 0.547 41 V N 6.451 126.151 119.914 -0.358 0.000 2.525 41 V HA 0.460 4.560 4.120 -0.034 0.000 0.299 41 V C 0.536 176.485 176.094 -0.242 0.000 1.034 41 V CA -0.317 61.810 62.300 -0.288 0.000 0.863 41 V CB 1.735 33.338 31.823 -0.366 0.000 0.999 41 V HN 1.014 nan 8.190 nan 0.000 0.423 42 T N 1.141 115.595 114.554 -0.167 0.000 2.868 42 T HA 0.231 4.560 4.350 -0.034 0.000 0.292 42 T C 0.875 175.519 174.700 -0.094 0.000 1.028 42 T CA 0.027 62.045 62.100 -0.135 0.000 1.059 42 T CB 1.519 70.329 68.868 -0.096 0.000 0.991 42 T HN 0.557 nan 8.240 nan 0.000 0.531 43 Q N 0.433 120.177 119.800 -0.093 0.000 2.170 43 Q HA -0.098 4.222 4.340 -0.034 0.000 0.203 43 Q C 1.899 177.862 176.000 -0.061 0.000 0.976 43 Q CA 1.814 57.569 55.803 -0.080 0.000 0.858 43 Q CB -0.372 28.308 28.738 -0.098 0.000 0.907 43 Q HN 0.863 nan 8.270 nan 0.000 0.433 44 E N 0.055 120.224 120.200 -0.052 0.000 2.268 44 E HA -0.154 4.175 4.350 -0.034 0.000 0.195 44 E C 1.316 177.919 176.600 0.005 0.000 0.995 44 E CA 1.286 57.667 56.400 -0.033 0.000 0.836 44 E CB 0.053 29.734 29.700 -0.032 0.000 0.763 44 E HN 0.550 nan 8.360 nan 0.000 0.491 45 E N -0.248 119.963 120.200 0.017 0.000 2.276 45 E HA 0.022 4.352 4.350 -0.034 0.000 0.193 45 E C 1.628 178.333 176.600 0.175 0.000 0.983 45 E CA -0.097 56.346 56.400 0.072 0.000 0.861 45 E CB 0.148 29.863 29.700 0.025 0.000 0.817 45 E HN 0.121 nan 8.360 nan 0.000 0.485 46 I N 1.841 122.505 120.570 0.157 0.000 2.113 46 I HA -0.214 3.935 4.170 -0.034 0.000 0.242 46 I C -0.614 175.843 176.117 0.566 0.000 1.064 46 I CA 1.673 63.172 61.300 0.330 0.000 1.320 46 I CB -2.139 35.984 38.000 0.205 0.000 1.028 46 I HN 0.030 nan 8.210 nan 0.000 0.406 47 P HA -0.137 nan 4.420 nan 0.000 0.215 47 P C 1.264 178.860 177.300 0.493 0.000 1.157 47 P CA 1.580 65.009 63.100 0.549 0.000 0.874 47 P CB 0.012 31.821 31.700 0.181 0.000 0.790 48 D N -1.729 118.865 120.400 0.323 0.000 2.123 48 D HA -0.122 4.497 4.640 -0.034 0.000 0.200 48 D C 1.760 178.262 176.300 0.336 0.000 0.976 48 D CA 0.843 55.002 54.000 0.265 0.000 0.831 48 D CB -0.890 40.016 40.800 0.177 0.000 0.974 48 D HN 0.112 nan 8.370 nan 0.000 0.469 49 F N 0.880 120.983 119.950 0.256 0.000 2.069 49 F HA -0.296 4.211 4.527 -0.034 0.000 0.298 49 F C 2.344 178.345 175.800 0.335 0.000 1.113 49 F CA 1.288 59.440 58.000 0.252 0.000 1.214 49 F CB -0.578 38.564 39.000 0.236 0.000 0.978 49 F HN -0.083 nan 8.300 nan 0.000 0.474 50 Y N -0.089 120.403 120.300 0.320 0.000 2.145 50 Y HA -0.229 4.301 4.550 -0.034 0.000 0.286 50 Y C 1.970 177.858 175.900 -0.020 0.000 1.145 50 Y CA 1.933 60.113 58.100 0.134 0.000 1.148 50 Y CB -0.961 37.640 38.460 0.235 0.000 0.981 50 Y HN 0.104 nan 8.280 nan 0.000 0.507 51 F N -0.200 119.671 119.950 -0.131 0.000 2.456 51 F HA 0.019 4.526 4.527 -0.034 0.000 0.298 51 F C 2.552 178.241 175.800 -0.184 0.000 1.104 51 F CA 1.192 59.044 58.000 -0.246 0.000 1.435 51 F CB -0.537 38.408 39.000 -0.091 0.000 1.078 51 F HN -0.038 nan 8.300 nan 0.000 0.546 52 R N 0.922 121.443 120.500 0.035 0.000 2.064 52 R HA -0.115 4.205 4.340 -0.034 0.000 0.228 52 R C 2.204 178.440 176.300 -0.106 0.000 1.144 52 R CA 2.042 58.135 56.100 -0.012 0.000 0.932 52 R CB -0.676 29.629 30.300 0.008 0.000 0.833 52 R HN 0.196 nan 8.270 nan 0.000 0.429 53 V N -0.370 119.413 119.914 -0.219 0.000 3.186 53 V HA -0.063 4.037 4.120 -0.034 0.000 0.270 53 V C 1.372 177.376 176.094 -0.150 0.000 1.149 53 V CA 1.853 64.030 62.300 -0.205 0.000 1.160 53 V CB -0.779 30.833 31.823 -0.351 0.000 0.758 53 V HN 0.606 nan 8.190 nan 0.000 0.516 54 T N -3.123 111.273 114.554 -0.263 0.000 3.129 54 T HA 0.248 4.578 4.350 -0.034 0.000 0.267 54 T C 0.515 175.091 174.700 -0.208 0.000 1.018 54 T CA 0.194 62.106 62.100 -0.312 0.000 0.903 54 T CB -1.186 67.240 68.868 -0.737 0.000 1.067 54 T HN 0.623 nan 8.240 nan 0.000 0.549 55 N N 1.277 119.913 118.700 -0.107 0.000 2.686 55 N HA -0.155 4.565 4.740 -0.034 0.000 0.261 55 N C -0.394 175.158 175.510 0.070 0.000 1.001 55 N CA 0.402 53.449 53.050 -0.005 0.000 0.764 55 N CB -0.883 37.601 38.487 -0.005 0.000 0.898 55 N HN 0.419 nan 8.380 nan 0.000 0.544 56 S N -0.991 114.725 115.700 0.028 0.000 3.031 56 S HA 0.071 4.520 4.470 -0.034 0.000 0.253 56 S C 0.348 175.013 174.600 0.109 0.000 0.996 56 S CA -0.549 57.637 58.200 -0.023 0.000 1.098 56 S CB 0.703 63.732 63.200 -0.284 0.000 1.042 56 S HN 0.271 nan 8.310 nan 0.000 0.593 57 D N 2.332 122.854 120.400 0.202 0.000 2.378 57 D HA -0.052 4.568 4.640 -0.034 0.000 0.227 57 D C 1.565 177.933 176.300 0.113 0.000 1.012 57 D CA 0.726 54.827 54.000 0.168 0.000 0.905 57 D CB 0.056 40.939 40.800 0.138 0.000 0.895 57 D HN 0.675 nan 8.370 nan 0.000 0.532 58 H N -1.304 117.807 119.070 0.069 0.000 2.592 58 H HA 0.115 4.651 4.556 -0.034 0.000 0.265 58 H C 1.019 176.374 175.328 0.045 0.000 0.955 58 H CA -0.121 55.951 56.048 0.039 0.000 1.175 58 H CB -0.362 29.417 29.762 0.028 0.000 1.433 58 H HN 0.067 nan 8.280 nan 0.000 0.537 59 L N 2.559 123.531 121.223 -0.418 0.000 2.672 59 L HA 0.110 4.430 4.340 -0.034 0.000 0.238 59 L C 1.180 177.985 176.870 -0.110 0.000 1.392 59 L CA -0.272 54.431 54.840 -0.228 0.000 1.238 59 L CB -0.085 41.866 42.059 -0.180 0.000 1.548 59 L HN 0.081 nan 8.230 nan 0.000 0.423 60 T N 0.610 115.110 114.554 -0.090 0.000 2.760 60 T HA -0.292 4.038 4.350 -0.034 0.000 0.269 60 T C 1.984 176.629 174.700 -0.092 0.000 1.047 60 T CA 1.937 63.978 62.100 -0.099 0.000 1.139 60 T CB 0.159 68.999 68.868 -0.047 0.000 0.855 60 T HN 0.701 nan 8.240 nan 0.000 0.471 61 A N 0.512 123.303 122.820 -0.048 0.000 1.898 61 A HA 0.113 4.412 4.320 -0.034 0.000 0.214 61 A C 2.161 179.733 177.584 -0.019 0.000 1.183 61 A CA 0.941 52.967 52.037 -0.019 0.000 0.622 61 A CB -0.639 18.370 19.000 0.014 0.000 0.824 61 A HN 0.418 nan 8.150 nan 0.000 0.444 62 L N -0.065 121.154 121.223 -0.007 0.000 2.141 62 L HA -0.043 4.276 4.340 -0.034 0.000 0.209 62 L C 2.262 179.144 176.870 0.020 0.000 1.094 62 L CA 2.166 57.022 54.840 0.027 0.000 0.763 62 L CB -0.381 41.736 42.059 0.097 0.000 0.908 62 L HN 0.437 nan 8.230 nan 0.000 0.437 63 K N -0.902 119.327 120.400 -0.284 0.000 2.148 63 K HA -0.176 4.124 4.320 -0.034 0.000 0.204 63 K C 1.614 178.067 176.600 -0.246 0.000 1.050 63 K CA 1.490 57.312 56.287 -0.774 0.000 0.942 63 K CB -0.074 31.790 32.500 -1.060 0.000 0.724 63 K HN 0.389 nan 8.250 nan 0.000 0.446 64 D N 0.563 120.877 120.400 -0.144 0.000 2.149 64 D HA -0.132 4.488 4.640 -0.034 0.000 0.201 64 D C 1.804 178.094 176.300 -0.017 0.000 0.972 64 D CA 0.960 54.918 54.000 -0.071 0.000 0.835 64 D CB 0.197 40.967 40.800 -0.051 0.000 0.966 64 D HN 0.078 nan 8.370 nan 0.000 0.476 65 K N 0.597 121.006 120.400 0.016 0.000 2.002 65 K HA -0.150 4.150 4.320 -0.034 0.000 0.209 65 K C 1.873 178.528 176.600 0.093 0.000 1.048 65 K CA 0.808 57.126 56.287 0.053 0.000 0.930 65 K CB -0.695 31.824 32.500 0.032 0.000 0.714 65 K HN 0.021 nan 8.250 nan 0.000 0.438 66 F N 1.157 121.088 119.950 -0.032 0.000 2.333 66 F HA -0.044 4.462 4.527 -0.035 0.000 0.300 66 F C 1.758 177.569 175.800 0.018 0.000 1.083 66 F CA 1.244 59.260 58.000 0.027 0.000 1.395 66 F CB -0.089 39.036 39.000 0.209 0.000 1.056 66 F HN -0.008 nan 8.300 nan 0.000 0.529 67 K N 0.632 120.986 120.400 -0.076 0.000 2.031 67 K HA -0.083 4.217 4.320 -0.034 0.000 0.205 67 K C 2.379 178.880 176.600 -0.165 0.000 1.049 67 K CA 1.405 57.587 56.287 -0.175 0.000 0.939 67 K CB -0.373 32.069 32.500 -0.098 0.000 0.717 67 K HN 0.204 nan 8.250 nan 0.000 0.438 68 R N -0.125 120.319 120.500 -0.093 0.000 2.119 68 R HA 0.135 4.455 4.340 -0.034 0.000 0.222 68 R C 2.175 178.427 176.300 -0.080 0.000 1.088 68 R CA 0.957 57.014 56.100 -0.072 0.000 0.984 68 R CB -0.142 30.139 30.300 -0.032 0.000 0.884 68 R HN 0.202 nan 8.270 nan 0.000 0.447 69 I N -0.124 120.402 120.570 -0.074 0.000 2.208 69 I HA -0.377 3.773 4.170 -0.034 0.000 0.245 69 I C 2.208 178.244 176.117 -0.135 0.000 1.097 69 I CA 1.025 62.291 61.300 -0.056 0.000 1.363 69 I CB -0.261 37.750 38.000 0.019 0.000 1.051 69 I HN 0.331 nan 8.210 nan 0.000 0.413 70 C N 0.325 119.454 119.300 -0.285 0.000 2.422 70 C HA -0.162 4.278 4.460 -0.034 0.000 0.279 70 C C 2.519 177.394 174.990 -0.191 0.000 1.305 70 C CA 0.800 59.622 59.018 -0.326 0.000 1.757 70 C CB -1.076 26.337 27.740 -0.545 0.000 1.962 70 C HN 0.513 nan 8.230 nan 0.000 0.499 71 Q N -0.108 119.599 119.800 -0.154 0.000 2.415 71 Q HA 0.010 4.330 4.340 -0.034 0.000 0.206 71 Q C 0.595 176.547 176.000 -0.079 0.000 0.946 71 Q CA 0.642 56.382 55.803 -0.106 0.000 0.951 71 Q CB 0.030 28.714 28.738 -0.090 0.000 1.026 71 Q HN 0.685 nan 8.270 nan 0.000 0.510 72 E N -0.859 119.295 120.200 -0.076 0.000 3.254 72 E HA 0.150 4.479 4.350 -0.034 0.000 0.184 72 E C 0.474 177.040 176.600 -0.056 0.000 0.967 72 E CA -0.081 56.285 56.400 -0.057 0.000 1.311 72 E CB 0.625 30.299 29.700 -0.043 0.000 1.071 72 E HN 0.151 nan 8.360 nan 0.000 0.456 73 M N -0.991 118.567 119.600 -0.069 0.000 2.466 73 M HA 0.184 4.644 4.480 -0.034 0.000 0.265 73 M C 1.329 177.584 176.300 -0.074 0.000 1.122 73 M CA 1.179 56.438 55.300 -0.069 0.000 1.157 73 M CB 0.141 32.695 32.600 -0.077 0.000 1.352 73 M HN 0.370 nan 8.290 nan 0.000 0.464 74 G N 1.147 109.904 108.800 -0.073 0.000 2.131 74 G HA2 -0.150 3.790 3.960 -0.034 0.000 0.201 74 G HA3 -0.150 3.790 3.960 -0.034 0.000 0.201 74 G C -0.209 174.644 174.900 -0.077 0.000 1.000 74 G CA 0.231 45.290 45.100 -0.069 0.000 0.680 74 G HN 0.413 nan 8.290 nan 0.000 0.514 75 V N 0.741 120.604 119.914 -0.085 0.000 2.531 75 V HA 0.704 4.803 4.120 -0.034 0.000 0.301 75 V C 1.006 177.041 176.094 -0.099 0.000 1.034 75 V CA 0.359 62.602 62.300 -0.094 0.000 0.865 75 V CB 1.658 33.424 31.823 -0.095 0.000 0.995 75 V HN 0.532 nan 8.190 nan 0.000 0.424 76 Q N 6.440 126.175 119.800 -0.109 0.000 2.391 76 Q HA 0.325 4.645 4.340 -0.034 0.000 0.211 76 Q C 0.584 176.504 176.000 -0.134 0.000 0.908 76 Q CA -0.066 55.672 55.803 -0.109 0.000 0.920 76 Q CB 0.534 29.213 28.738 -0.098 0.000 1.056 76 Q HN 0.805 nan 8.270 nan 0.000 0.523 77 R N -1.255 119.141 120.500 -0.174 0.000 2.741 77 R HA 0.628 4.948 4.340 -0.034 0.000 0.276 77 R C -1.551 174.569 176.300 -0.299 0.000 1.028 77 R CA -0.972 54.983 56.100 -0.241 0.000 0.865 77 R CB 1.250 31.379 30.300 -0.286 0.000 1.268 77 R HN -0.018 nan 8.270 nan 0.000 0.475 78 R N -0.104 120.151 120.500 -0.409 0.000 2.781 78 R HA 0.436 4.755 4.340 -0.034 0.000 0.269 78 R C -1.644 174.266 176.300 -0.650 0.000 1.025 78 R CA -0.892 54.984 56.100 -0.372 0.000 0.914 78 R CB 1.994 32.227 30.300 -0.111 0.000 1.236 78 R HN 0.523 nan 8.270 nan 0.000 0.465 79 Y N 0.908 121.224 120.300 0.027 0.000 2.376 79 Y HA 0.534 5.064 4.550 -0.033 0.000 0.340 79 Y C -0.470 175.435 175.900 0.008 0.000 0.965 79 Y CA -0.720 57.393 58.100 0.022 0.000 1.078 79 Y CB 1.547 40.062 38.460 0.092 0.000 1.193 79 Y HN 0.122 nan 8.280 nan 0.000 0.452 80 L N 2.898 124.133 121.223 0.020 0.000 2.381 80 L HA 0.350 4.670 4.340 -0.034 0.000 0.274 80 L C 0.576 177.406 176.870 -0.066 0.000 0.988 80 L CA -0.850 53.914 54.840 -0.127 0.000 0.824 80 L CB 1.852 43.600 42.059 -0.518 0.000 1.263 80 L HN 0.751 nan 8.230 nan 0.000 0.410 81 H N 2.246 121.312 119.070 -0.007 0.000 2.428 81 H HA -0.026 4.511 4.556 -0.032 0.000 0.296 81 H C 0.696 176.070 175.328 0.078 0.000 1.062 81 H CA 0.781 56.872 56.048 0.070 0.000 1.350 81 H CB 0.241 30.084 29.762 0.134 0.000 1.403 81 H HN 0.544 nan 8.280 nan 0.000 0.533 82 H N 0.298 119.414 119.070 0.077 0.000 2.767 82 H HA 0.262 4.797 4.556 -0.035 0.000 0.316 82 H C 0.044 175.388 175.328 0.028 0.000 1.059 82 H CA 0.196 56.255 56.048 0.018 0.000 1.461 82 H CB 0.217 29.986 29.762 0.013 0.000 1.475 82 H HN 0.312 nan 8.280 nan 0.000 0.531 83 T N -0.750 113.839 114.554 0.057 0.000 2.948 83 T HA 0.127 4.456 4.350 -0.034 0.000 0.285 83 T C 1.077 175.880 174.700 0.171 0.000 1.019 83 T CA -0.807 61.341 62.100 0.079 0.000 1.013 83 T CB 2.299 71.177 68.868 0.017 0.000 1.117 83 T HN 0.734 nan 8.240 nan 0.000 0.533 84 E N -0.263 120.070 120.200 0.222 0.000 2.150 84 E HA -0.193 4.136 4.350 -0.034 0.000 0.193 84 E C 1.828 178.466 176.600 0.064 0.000 0.985 84 E CA 0.809 57.301 56.400 0.153 0.000 0.814 84 E CB 0.016 29.816 29.700 0.166 0.000 0.752 84 E HN 0.674 nan 8.360 nan 0.000 0.466 85 E N 0.828 121.060 120.200 0.053 0.000 2.072 85 E HA -0.205 4.124 4.350 -0.034 0.000 0.191 85 E C 1.965 178.567 176.600 0.004 0.000 0.985 85 E CA 1.124 57.534 56.400 0.016 0.000 0.801 85 E CB -0.233 29.474 29.700 0.011 0.000 0.750 85 E HN 0.400 nan 8.360 nan 0.000 0.452 86 M N -0.135 119.489 119.600 0.039 0.000 2.229 86 M HA -0.113 4.347 4.480 -0.034 0.000 0.264 86 M C 2.056 178.418 176.300 0.103 0.000 1.063 86 M CA 0.999 56.349 55.300 0.084 0.000 1.114 86 M CB 0.069 32.748 32.600 0.132 0.000 1.387 86 M HN 0.081 nan 8.290 nan 0.000 0.420 87 L N -0.963 120.301 121.223 0.069 0.000 2.072 87 L HA -0.130 4.190 4.340 -0.034 0.000 0.205 87 L C 2.418 179.270 176.870 -0.030 0.000 1.079 87 L CA 0.935 55.798 54.840 0.037 0.000 0.752 87 L CB -0.606 41.445 42.059 -0.013 0.000 0.906 87 L HN 0.251 nan 8.230 nan 0.000 0.436 88 S N 0.184 115.858 115.700 -0.043 0.000 2.399 88 S HA -0.155 4.295 4.470 -0.034 0.000 0.231 88 S C 2.028 176.548 174.600 -0.134 0.000 1.022 88 S CA 1.221 59.380 58.200 -0.069 0.000 0.983 88 S CB -0.250 62.919 63.200 -0.051 0.000 0.803 88 S HN 0.489 nan 8.310 nan 0.000 0.480 89 A N 0.436 123.139 122.820 -0.195 0.000 2.206 89 A HA 0.007 4.307 4.320 -0.034 0.000 0.211 89 A C 0.621 177.806 177.584 -0.666 0.000 1.158 89 A CA 0.668 52.479 52.037 -0.375 0.000 0.761 89 A CB -0.139 18.622 19.000 -0.398 0.000 0.801 89 A HN 0.508 nan 8.150 nan 0.000 0.473 90 H N -0.739 118.147 119.070 -0.307 0.000 2.535 90 H HA 0.163 4.699 4.556 -0.033 0.000 0.232 90 H C -1.978 173.104 175.328 -0.410 0.000 1.405 90 H CA -1.365 54.335 56.048 -0.580 0.000 1.224 90 H CB 0.370 29.311 29.762 -1.368 0.000 1.763 90 H HN 0.335 nan 8.280 nan 0.000 0.529 91 P HA -0.231 nan 4.420 nan 0.000 0.218 91 P C 1.093 178.395 177.300 0.004 0.000 1.146 91 P CA 1.314 64.384 63.100 -0.050 0.000 0.820 91 P CB 0.308 31.976 31.700 -0.053 0.000 0.778 92 E N -1.337 118.852 120.200 -0.018 0.000 2.265 92 E HA -0.156 4.174 4.350 -0.034 0.000 0.196 92 E C 1.577 178.336 176.600 0.264 0.000 0.996 92 E CA 0.692 57.140 56.400 0.081 0.000 0.832 92 E CB -0.860 28.883 29.700 0.071 0.000 0.756 92 E HN 0.144 nan 8.360 nan 0.000 0.491 93 F N 1.678 121.688 119.950 0.101 0.000 2.206 93 F HA -0.047 4.461 4.527 -0.033 0.000 0.298 93 F C 2.350 178.233 175.800 0.139 0.000 1.090 93 F CA 0.715 58.788 58.000 0.121 0.000 1.323 93 F CB -0.712 38.381 39.000 0.154 0.000 1.028 93 F HN 0.010 nan 8.300 nan 0.000 0.492 94 V N -2.681 117.423 119.914 0.316 0.000 3.623 94 V HA 0.087 4.187 4.120 -0.034 0.000 0.271 94 V C 0.385 176.515 176.094 0.060 0.000 1.248 94 V CA 0.376 62.772 62.300 0.159 0.000 1.156 94 V CB -0.598 31.294 31.823 0.114 0.000 0.870 94 V HN 0.063 nan 8.190 nan 0.000 0.453 95 D N 1.302 121.754 120.400 0.086 0.000 2.522 95 D HA 0.213 4.833 4.640 -0.034 0.000 0.218 95 D C 1.399 177.724 176.300 0.043 0.000 1.149 95 D CA -0.219 53.809 54.000 0.047 0.000 0.981 95 D CB 0.640 41.470 40.800 0.051 0.000 1.041 95 D HN 0.293 nan 8.370 nan 0.000 0.518 96 R N 1.172 121.681 120.500 0.015 0.000 2.204 96 R HA -0.147 4.173 4.340 -0.034 0.000 0.253 96 R C 0.106 176.417 176.300 0.018 0.000 1.172 96 R CA 1.101 57.207 56.100 0.009 0.000 0.994 96 R CB 0.115 30.410 30.300 -0.009 0.000 0.874 96 R HN 0.381 nan 8.270 nan 0.000 0.462 97 D N -0.325 120.087 120.400 0.020 0.000 3.163 97 D HA 0.304 4.924 4.640 -0.034 0.000 0.284 97 D C -0.810 175.506 176.300 0.027 0.000 1.368 97 D CA 0.122 54.134 54.000 0.020 0.000 0.895 97 D CB 0.982 41.791 40.800 0.015 0.000 1.061 97 D HN 0.173 nan 8.370 nan 0.000 0.496 98 A N 1.963 124.806 122.820 0.038 0.000 2.459 98 A HA 0.540 4.839 4.320 -0.034 0.000 0.296 98 A C -2.811 174.807 177.584 0.057 0.000 1.039 98 A CA -1.283 50.781 52.037 0.046 0.000 0.698 98 A CB 2.100 21.134 19.000 0.056 0.000 1.261 98 A HN -0.120 nan 8.150 nan 0.000 0.405 99 P HA 0.205 nan 4.420 nan 0.000 0.271 99 P C 0.311 177.656 177.300 0.075 0.000 1.216 99 P CA 0.356 63.483 63.100 0.045 0.000 0.771 99 P CB 1.278 32.994 31.700 0.028 0.000 0.864 100 S N 0.790 116.535 115.700 0.076 0.000 2.857 100 S HA -0.020 4.429 4.470 -0.034 0.000 0.238 100 S C 1.019 175.660 174.600 0.068 0.000 0.875 100 S CA -0.337 57.945 58.200 0.137 0.000 1.368 100 S CB -0.978 62.399 63.200 0.295 0.000 1.238 100 S HN 0.223 nan 8.310 nan 0.000 0.635 101 L N 2.652 123.868 121.223 -0.013 0.000 2.187 101 L HA 0.091 4.411 4.340 -0.034 0.000 0.213 101 L C 1.496 178.314 176.870 -0.087 0.000 1.100 101 L CA 2.103 56.888 54.840 -0.091 0.000 0.765 101 L CB -0.777 41.199 42.059 -0.139 0.000 0.904 101 L HN 0.276 nan 8.230 nan 0.000 0.437 102 D N -0.268 120.113 120.400 -0.032 0.000 2.084 102 D HA -0.168 4.452 4.640 -0.034 0.000 0.194 102 D C 2.235 178.554 176.300 0.033 0.000 0.990 102 D CA 1.715 55.705 54.000 -0.015 0.000 0.826 102 D CB -0.194 40.610 40.800 0.007 0.000 0.971 102 D HN 0.468 nan 8.370 nan 0.000 0.453 103 A N 0.344 123.224 122.820 0.099 0.000 1.969 103 A HA -0.158 4.141 4.320 -0.034 0.000 0.218 103 A C 2.049 179.714 177.584 0.135 0.000 1.169 103 A CA 1.166 53.289 52.037 0.142 0.000 0.635 103 A CB -0.331 18.785 19.000 0.193 0.000 0.810 103 A HN 0.110 nan 8.150 nan 0.000 0.445 104 R N -0.532 119.991 120.500 0.038 0.000 2.066 104 R HA 0.040 4.360 4.340 -0.034 0.000 0.232 104 R C 2.002 178.262 176.300 -0.066 0.000 1.131 104 R CA 1.327 57.338 56.100 -0.148 0.000 0.955 104 R CB -0.484 29.619 30.300 -0.329 0.000 0.851 104 R HN 0.469 nan 8.270 nan 0.000 0.432 105 L N 0.846 122.039 121.223 -0.050 0.000 2.056 105 L HA -0.182 4.138 4.340 -0.034 0.000 0.207 105 L C 1.760 178.682 176.870 0.087 0.000 1.078 105 L CA 1.098 55.951 54.840 0.022 0.000 0.749 105 L CB -0.516 41.530 42.059 -0.021 0.000 0.901 105 L HN 0.171 nan 8.230 nan 0.000 0.433 106 D N 0.462 120.909 120.400 0.078 0.000 2.123 106 D HA -0.178 4.441 4.640 -0.034 0.000 0.196 106 D C 2.257 178.586 176.300 0.049 0.000 0.992 106 D CA 1.359 55.405 54.000 0.076 0.000 0.833 106 D CB -0.102 40.747 40.800 0.082 0.000 0.954 106 D HN 0.340 nan 8.370 nan 0.000 0.455 107 I N 1.111 121.719 120.570 0.062 0.000 2.226 107 I HA -0.229 3.921 4.170 -0.034 0.000 0.245 107 I C 2.489 178.619 176.117 0.021 0.000 1.100 107 I CA 0.959 62.310 61.300 0.084 0.000 1.374 107 I CB -0.231 37.852 38.000 0.139 0.000 1.057 107 I HN -0.078 nan 8.210 nan 0.000 0.413 108 A N 0.801 123.614 122.820 -0.011 0.000 1.930 108 A HA -0.087 4.213 4.320 -0.034 0.000 0.217 108 A C 2.540 180.069 177.584 -0.091 0.000 1.175 108 A CA 1.535 53.541 52.037 -0.052 0.000 0.627 108 A CB -0.708 18.279 19.000 -0.022 0.000 0.815 108 A HN 0.418 nan 8.150 nan 0.000 0.443 109 A N -0.447 122.284 122.820 -0.149 0.000 2.024 109 A HA -0.183 4.117 4.320 -0.034 0.000 0.220 109 A C 1.738 179.236 177.584 -0.143 0.000 1.164 109 A CA 1.943 53.804 52.037 -0.293 0.000 0.643 109 A CB -0.323 18.395 19.000 -0.470 0.000 0.806 109 A HN 0.505 nan 8.150 nan 0.000 0.451 110 D N -0.986 119.368 120.400 -0.077 0.000 2.414 110 D HA 0.195 4.814 4.640 -0.034 0.000 0.237 110 D C 2.319 178.590 176.300 -0.049 0.000 0.975 110 D CA 1.163 55.141 54.000 -0.037 0.000 0.917 110 D CB -0.388 40.417 40.800 0.008 0.000 1.061 110 D HN 0.332 nan 8.370 nan 0.000 0.480 111 A N 1.037 123.801 122.820 -0.093 0.000 1.930 111 A HA -0.095 4.205 4.320 -0.034 0.000 0.217 111 A C 2.460 179.948 177.584 -0.160 0.000 1.175 111 A CA 1.068 52.984 52.037 -0.202 0.000 0.627 111 A CB -0.710 17.924 19.000 -0.610 0.000 0.815 111 A HN 0.107 nan 8.150 nan 0.000 0.443 112 V N 1.161 121.004 119.914 -0.118 0.000 2.261 112 V HA -0.145 3.954 4.120 -0.034 0.000 0.246 112 V C -0.114 175.958 176.094 -0.038 0.000 1.047 112 V CA 2.428 64.689 62.300 -0.064 0.000 1.015 112 V CB -1.410 30.394 31.823 -0.031 0.000 0.642 112 V HN 0.472 nan 8.190 nan 0.000 0.446 113 P HA -0.149 nan 4.420 nan 0.000 0.220 113 P C 1.395 178.683 177.300 -0.020 0.000 1.148 113 P CA 1.374 64.461 63.100 -0.021 0.000 0.803 113 P CB 0.239 31.929 31.700 -0.017 0.000 0.782 114 E N -0.073 120.113 120.200 -0.023 0.000 2.072 114 E HA -0.112 4.217 4.350 -0.034 0.000 0.190 114 E C 1.915 178.512 176.600 -0.006 0.000 0.982 114 E CA 0.569 56.963 56.400 -0.010 0.000 0.803 114 E CB -1.099 28.600 29.700 -0.001 0.000 0.755 114 E HN 0.053 nan 8.360 nan 0.000 0.453 115 L N -0.125 121.090 121.223 -0.014 0.000 2.109 115 L HA 0.112 4.432 4.340 -0.034 0.000 0.207 115 L C 2.032 178.903 176.870 0.001 0.000 1.086 115 L CA 1.864 56.705 54.840 0.001 0.000 0.760 115 L CB -0.695 41.364 42.059 0.001 0.000 0.910 115 L HN 0.138 nan 8.230 nan 0.000 0.437 116 A N -0.531 122.286 122.820 -0.006 0.000 1.969 116 A HA -0.041 4.259 4.320 -0.034 0.000 0.218 116 A C 2.419 179.995 177.584 -0.014 0.000 1.169 116 A CA 1.507 53.539 52.037 -0.007 0.000 0.635 116 A CB -0.958 18.037 19.000 -0.008 0.000 0.810 116 A HN 0.538 nan 8.150 nan 0.000 0.445 117 A N -0.289 122.523 122.820 -0.013 0.000 1.898 117 A HA -0.155 4.145 4.320 -0.034 0.000 0.216 117 A C 2.023 179.600 177.584 -0.011 0.000 1.181 117 A CA 1.661 53.690 52.037 -0.013 0.000 0.620 117 A CB -0.552 18.440 19.000 -0.012 0.000 0.819 117 A HN 0.644 nan 8.150 nan 0.000 0.442 118 E N -0.003 120.192 120.200 -0.008 0.000 2.070 118 E HA -0.210 4.119 4.350 -0.034 0.000 0.197 118 E C 2.138 178.725 176.600 -0.022 0.000 1.004 118 E CA 1.331 57.726 56.400 -0.009 0.000 0.805 118 E CB -0.263 29.436 29.700 -0.003 0.000 0.744 118 E HN 0.529 nan 8.360 nan 0.000 0.451 119 A N 0.992 123.793 122.820 -0.031 0.000 1.898 119 A HA -0.044 4.256 4.320 -0.034 0.000 0.216 119 A C 2.362 179.914 177.584 -0.053 0.000 1.181 119 A CA 1.747 53.748 52.037 -0.059 0.000 0.620 119 A CB -0.653 18.304 19.000 -0.070 0.000 0.819 119 A HN 0.419 nan 8.150 nan 0.000 0.442 120 A N -0.345 122.454 122.820 -0.034 0.000 1.930 120 A HA -0.117 4.183 4.320 -0.034 0.000 0.217 120 A C 2.111 179.694 177.584 -0.002 0.000 1.175 120 A CA 1.718 53.741 52.037 -0.025 0.000 0.627 120 A CB -0.378 18.611 19.000 -0.019 0.000 0.815 120 A HN 0.517 nan 8.150 nan 0.000 0.443 121 K N -0.036 120.363 120.400 -0.001 0.000 2.026 121 K HA -0.145 4.154 4.320 -0.034 0.000 0.208 121 K C 2.067 178.675 176.600 0.013 0.000 1.048 121 K CA 1.707 58.001 56.287 0.012 0.000 0.929 121 K CB -0.183 32.320 32.500 0.004 0.000 0.713 121 K HN 0.437 nan 8.250 nan 0.000 0.439 122 K N 0.341 120.737 120.400 -0.008 0.000 2.063 122 K HA -0.151 4.148 4.320 -0.034 0.000 0.208 122 K C 2.211 178.811 176.600 0.001 0.000 1.048 122 K CA 1.385 57.664 56.287 -0.013 0.000 0.928 122 K CB -0.188 32.287 32.500 -0.041 0.000 0.713 122 K HN 0.130 nan 8.250 nan 0.000 0.442 123 A N 1.485 124.300 122.820 -0.007 0.000 1.902 123 A HA -0.143 4.157 4.320 -0.034 0.000 0.217 123 A C 2.140 179.781 177.584 0.095 0.000 1.181 123 A CA 1.324 53.365 52.037 0.007 0.000 0.623 123 A CB -0.571 18.406 19.000 -0.038 0.000 0.818 123 A HN 0.186 nan 8.150 nan 0.000 0.443 124 I N -0.318 120.326 120.570 0.123 0.000 2.394 124 I HA -0.237 3.912 4.170 -0.034 0.000 0.251 124 I C 2.873 179.104 176.117 0.191 0.000 1.136 124 I CA 0.859 62.314 61.300 0.258 0.000 1.425 124 I CB -0.205 37.915 38.000 0.199 0.000 1.079 124 I HN 0.359 nan 8.210 nan 0.000 0.425 125 A N 0.119 122.996 122.820 0.095 0.000 1.898 125 A HA -0.232 4.067 4.320 -0.034 0.000 0.216 125 A C 2.351 179.967 177.584 0.053 0.000 1.181 125 A CA 1.643 53.708 52.037 0.047 0.000 0.620 125 A CB -0.519 18.494 19.000 0.021 0.000 0.819 125 A HN 0.445 nan 8.150 nan 0.000 0.442 126 E N -1.349 118.896 120.200 0.074 0.000 2.028 126 E HA -0.240 4.090 4.350 -0.034 0.000 0.191 126 E C 1.838 178.519 176.600 0.136 0.000 0.988 126 E CA 1.428 57.871 56.400 0.071 0.000 0.799 126 E CB -0.336 29.394 29.700 0.051 0.000 0.755 126 E HN 0.741 nan 8.360 nan 0.000 0.447 127 W N 0.767 122.044 121.300 -0.037 0.000 2.305 127 W HA -0.227 4.441 4.660 0.013 0.000 0.308 127 W C 1.511 178.012 176.519 -0.030 0.000 1.226 127 W CA 2.970 60.295 57.345 -0.033 0.000 1.253 127 W CB -0.629 28.814 29.460 -0.028 0.000 1.146 127 W HN 0.386 nan 8.180 nan 0.000 0.507 128 G N -0.472 108.269 108.800 -0.098 0.000 2.213 128 G HA2 -0.259 3.681 3.960 -0.034 0.000 0.236 128 G HA3 -0.259 3.681 3.960 -0.034 0.000 0.236 128 G C 0.710 175.309 174.900 -0.503 0.000 0.991 128 G CA 0.166 45.106 45.100 -0.265 0.000 0.629 128 G HN 0.388 nan 8.290 nan 0.000 0.517 129 R N 0.586 120.481 120.500 -1.008 0.000 2.758 129 R HA 0.528 4.847 4.340 -0.034 0.000 0.265 129 R C -2.646 173.253 176.300 -0.667 0.000 1.016 129 R CA -1.808 53.634 56.100 -1.096 0.000 1.040 129 R CB 1.069 30.226 30.300 -1.904 0.000 1.152 129 R HN 0.053 nan 8.270 nan 0.000 0.503 130 P HA 0.061 nan 4.420 nan 0.000 0.271 130 P C -0.086 177.233 177.300 0.031 0.000 1.216 130 P CA 0.116 63.138 63.100 -0.129 0.000 0.776 130 P CB 0.745 32.384 31.700 -0.101 0.000 0.881 131 A N 3.324 126.194 122.820 0.085 0.000 2.076 131 A HA -0.155 4.145 4.320 -0.034 0.000 0.220 131 A C 2.021 179.676 177.584 0.119 0.000 1.160 131 A CA 1.954 54.077 52.037 0.143 0.000 0.653 131 A CB -1.448 17.598 19.000 0.076 0.000 0.801 131 A HN 0.568 nan 8.150 nan 0.000 0.455 132 A N -0.389 122.471 122.820 0.068 0.000 2.121 132 A HA -0.057 4.242 4.320 -0.034 0.000 0.218 132 A C 1.390 179.024 177.584 0.085 0.000 1.154 132 A CA 1.524 53.593 52.037 0.052 0.000 0.679 132 A CB -0.338 18.673 19.000 0.018 0.000 0.795 132 A HN 0.406 nan 8.150 nan 0.000 0.458 133 D N -0.405 120.078 120.400 0.138 0.000 2.349 133 D HA 0.131 4.750 4.640 -0.034 0.000 0.224 133 D C 0.269 176.744 176.300 0.291 0.000 1.029 133 D CA 0.208 54.332 54.000 0.205 0.000 0.879 133 D CB -0.074 40.849 40.800 0.204 0.000 0.906 133 D HN 0.447 nan 8.370 nan 0.000 0.528 134 I N 1.313 122.032 120.570 0.249 0.000 2.452 134 I HA -0.012 4.138 4.170 -0.034 0.000 0.287 134 I C 1.720 177.899 176.117 0.102 0.000 1.079 134 I CA 0.072 61.463 61.300 0.152 0.000 1.387 134 I CB 1.404 39.466 38.000 0.102 0.000 1.404 134 I HN -0.053 nan 8.210 nan 0.000 0.522 135 T N 1.466 116.095 114.554 0.125 0.000 3.039 135 T HA 0.116 4.446 4.350 -0.034 0.000 0.250 135 T C 0.452 175.158 174.700 0.010 0.000 1.052 135 T CA 0.408 62.571 62.100 0.105 0.000 1.125 135 T CB 0.010 69.012 68.868 0.224 0.000 0.908 135 T HN 0.514 nan 8.240 nan 0.000 0.473 136 H N -0.010 119.052 119.070 -0.013 0.000 2.768 136 H HA 0.770 5.303 4.556 -0.037 0.000 0.371 136 H C -1.474 173.837 175.328 -0.030 0.000 1.151 136 H CA -1.286 54.752 56.048 -0.016 0.000 1.165 136 H CB 1.859 31.610 29.762 -0.019 0.000 1.722 136 H HN 0.180 nan 8.280 nan 0.000 0.543 137 L N 2.279 123.561 121.223 0.098 0.000 2.406 137 L HA 0.618 4.937 4.340 -0.034 0.000 0.272 137 L C -1.614 175.276 176.870 0.033 0.000 0.980 137 L CA -0.587 54.276 54.840 0.038 0.000 0.831 137 L CB 1.488 43.556 42.059 0.014 0.000 1.253 137 L HN 0.480 nan 8.230 nan 0.000 0.406 138 V N 5.866 125.787 119.914 0.012 0.000 2.444 138 V HA 0.632 4.732 4.120 -0.034 0.000 0.294 138 V C -0.532 175.553 176.094 -0.014 0.000 1.022 138 V CA -0.602 61.700 62.300 0.003 0.000 0.850 138 V CB 1.789 33.612 31.823 0.000 0.000 0.992 138 V HN 0.543 nan 8.190 nan 0.000 0.426 139 V N 3.732 123.632 119.914 -0.024 0.000 2.540 139 V HA 0.674 4.774 4.120 -0.034 0.000 0.302 139 V C -0.041 176.021 176.094 -0.053 0.000 1.035 139 V CA -0.273 62.007 62.300 -0.035 0.000 0.873 139 V CB 2.254 34.055 31.823 -0.037 0.000 0.992 139 V HN 0.895 nan 8.190 nan 0.000 0.428 140 T N 2.736 117.266 114.554 -0.039 0.000 2.893 140 T HA 0.747 5.077 4.350 -0.034 0.000 0.293 140 T C -0.904 173.782 174.700 -0.022 0.000 1.027 140 T CA -0.199 61.874 62.100 -0.045 0.000 0.988 140 T CB 1.599 70.442 68.868 -0.041 0.000 1.043 140 T HN 0.979 nan 8.240 nan 0.000 0.461 141 T N 3.179 117.726 114.554 -0.011 0.000 3.128 141 T HA 0.294 4.623 4.350 -0.034 0.000 0.363 141 T C -0.032 174.708 174.700 0.065 0.000 1.610 141 T CA -0.651 61.468 62.100 0.030 0.000 1.126 141 T CB 0.932 69.830 68.868 0.051 0.000 1.416 141 T HN 0.524 nan 8.240 nan 0.000 0.480 142 N N 1.411 120.137 118.700 0.043 0.000 2.416 142 N HA 0.059 4.779 4.740 -0.034 0.000 0.177 142 N C 0.614 176.200 175.510 0.127 0.000 1.036 142 N CA 0.398 53.465 53.050 0.028 0.000 0.901 142 N CB 0.248 38.717 38.487 -0.031 0.000 0.976 142 N HN 0.505 nan 8.380 nan 0.000 0.444 143 S N 0.616 116.375 115.700 0.098 0.000 3.983 143 S HA 0.549 4.999 4.470 -0.034 0.000 0.194 143 S C 0.595 175.283 174.600 0.148 0.000 1.464 143 S CA -0.621 57.633 58.200 0.091 0.000 1.021 143 S CB 0.234 63.442 63.200 0.013 0.000 1.424 143 S HN 0.386 nan 8.310 nan 0.000 0.473 144 G N -0.099 108.861 108.800 0.266 0.000 2.489 144 G HA2 0.610 4.550 3.960 -0.034 0.000 0.291 144 G HA3 0.610 4.550 3.960 -0.034 0.000 0.291 144 G C -1.217 173.842 174.900 0.266 0.000 1.487 144 G CA -0.155 45.139 45.100 0.324 0.000 0.795 144 G HN 0.643 nan 8.290 nan 0.000 0.513 145 A N 0.880 123.808 122.820 0.180 0.000 2.948 145 A HA 0.595 4.894 4.320 -0.034 0.000 0.220 145 A C -0.767 176.514 177.584 -0.505 0.000 1.392 145 A CA -0.257 51.521 52.037 -0.431 0.000 1.430 145 A CB -0.558 18.127 19.000 -0.526 0.000 1.161 145 A HN 1.060 nan 8.150 nan 0.000 0.840 146 H N -1.464 117.534 119.070 -0.119 0.000 2.928 146 H HA 0.785 5.319 4.556 -0.036 0.000 0.371 146 H C -0.741 174.643 175.328 0.094 0.000 1.186 146 H CA -1.024 55.019 56.048 -0.008 0.000 1.134 146 H CB 2.091 31.867 29.762 0.024 0.000 1.824 146 H HN 0.220 nan 8.280 nan 0.000 0.554 147 V N 2.308 122.313 119.914 0.152 0.000 2.567 147 V HA 0.327 4.426 4.120 -0.034 0.000 0.298 147 V C -2.172 173.919 176.094 -0.006 0.000 1.047 147 V CA -1.444 60.906 62.300 0.084 0.000 0.880 147 V CB 1.170 33.022 31.823 0.047 0.000 1.009 147 V HN 0.720 nan 8.190 nan 0.000 0.429 148 P HA 0.428 nan 4.420 nan 0.000 0.268 148 P C 0.472 177.834 177.300 0.104 0.000 1.204 148 P CA 0.256 63.297 63.100 -0.098 0.000 0.768 148 P CB 0.802 32.186 31.700 -0.526 0.000 0.842 149 G N 0.345 109.246 108.800 0.167 0.000 2.543 149 G HA2 0.220 4.159 3.960 -0.034 0.000 0.267 149 G HA3 0.220 4.159 3.960 -0.034 0.000 0.267 149 G C 1.002 175.994 174.900 0.153 0.000 1.406 149 G CA -0.653 44.569 45.100 0.203 0.000 1.048 149 G HN 0.287 nan 8.290 nan 0.000 0.548 150 V N 1.585 121.555 119.914 0.095 0.000 2.469 150 V HA -0.183 3.916 4.120 -0.034 0.000 0.251 150 V C 2.746 178.869 176.094 0.048 0.000 1.064 150 V CA 2.504 64.835 62.300 0.051 0.000 1.066 150 V CB -0.668 31.167 31.823 0.020 0.000 0.667 150 V HN 0.867 nan 8.190 nan 0.000 0.461 151 D N -0.109 120.321 120.400 0.049 0.000 2.097 151 D HA -0.278 4.342 4.640 -0.034 0.000 0.195 151 D C 2.133 178.477 176.300 0.073 0.000 0.989 151 D CA 1.476 55.502 54.000 0.044 0.000 0.827 151 D CB -0.607 40.215 40.800 0.035 0.000 0.966 151 D HN 0.441 nan 8.370 nan 0.000 0.456 152 F N 2.080 122.028 119.950 -0.003 0.000 2.102 152 F HA -0.092 4.411 4.527 -0.039 0.000 0.298 152 F C 2.374 178.175 175.800 0.001 0.000 1.105 152 F CA 1.283 59.285 58.000 0.003 0.000 1.239 152 F CB -0.044 38.964 39.000 0.013 0.000 0.991 152 F HN -0.245 nan 8.300 nan 0.000 0.474 153 R N 0.597 121.118 120.500 0.034 0.000 2.152 153 R HA -0.088 4.232 4.340 -0.034 0.000 0.232 153 R C 2.239 178.466 176.300 -0.121 0.000 1.117 153 R CA 1.099 57.165 56.100 -0.057 0.000 0.981 153 R CB -1.055 29.279 30.300 0.057 0.000 0.870 153 R HN 0.415 nan 8.270 nan 0.000 0.451 154 L N 0.251 121.419 121.223 -0.092 0.000 2.376 154 L HA -0.084 4.235 4.340 -0.034 0.000 0.219 154 L C 2.241 179.041 176.870 -0.117 0.000 1.133 154 L CA 0.296 55.089 54.840 -0.079 0.000 0.816 154 L CB -0.230 41.802 42.059 -0.044 0.000 0.933 154 L HN -0.092 nan 8.230 nan 0.000 0.449 155 V N 0.880 120.673 119.914 -0.202 0.000 2.261 155 V HA -0.175 3.924 4.120 -0.034 0.000 0.246 155 V C -0.031 175.951 176.094 -0.187 0.000 1.047 155 V CA 2.186 64.356 62.300 -0.216 0.000 1.015 155 V CB -1.730 29.882 31.823 -0.352 0.000 0.642 155 V HN 0.395 nan 8.190 nan 0.000 0.446 156 P HA -0.093 nan 4.420 nan 0.000 0.217 156 P C 1.947 179.193 177.300 -0.089 0.000 1.154 156 P CA 1.346 64.359 63.100 -0.146 0.000 0.841 156 P CB -0.013 31.596 31.700 -0.152 0.000 0.788 157 L N -1.133 120.039 121.223 -0.085 0.000 2.191 157 L HA -0.073 4.247 4.340 -0.034 0.000 0.212 157 L C 2.401 179.248 176.870 -0.037 0.000 1.103 157 L CA 1.137 55.947 54.840 -0.050 0.000 0.769 157 L CB -0.505 41.528 42.059 -0.043 0.000 0.908 157 L HN -0.070 nan 8.230 nan 0.000 0.438 158 L N -1.464 119.733 121.223 -0.043 0.000 2.731 158 L HA 0.294 4.614 4.340 -0.034 0.000 0.240 158 L C 1.259 178.119 176.870 -0.016 0.000 1.120 158 L CA 0.338 55.165 54.840 -0.021 0.000 0.913 158 L CB 0.219 42.270 42.059 -0.014 0.000 1.213 158 L HN 0.332 nan 8.230 nan 0.000 0.515 159 G N 1.536 110.316 108.800 -0.033 0.000 2.198 159 G HA2 -0.264 3.675 3.960 -0.034 0.000 0.257 159 G HA3 -0.264 3.675 3.960 -0.034 0.000 0.257 159 G C 0.099 174.988 174.900 -0.018 0.000 1.042 159 G CA -0.074 45.010 45.100 -0.026 0.000 0.791 159 G HN 0.208 nan 8.290 nan 0.000 0.502 160 L N -0.287 120.919 121.223 -0.028 0.000 2.436 160 L HA 0.430 4.749 4.340 -0.034 0.000 0.265 160 L C 1.533 178.388 176.870 -0.025 0.000 1.168 160 L CA -0.853 53.977 54.840 -0.016 0.000 0.815 160 L CB 0.470 42.515 42.059 -0.024 0.000 1.109 160 L HN 0.185 nan 8.230 nan 0.000 0.462 161 R N 2.237 122.731 120.500 -0.010 0.000 2.590 161 R HA 0.064 4.384 4.340 -0.034 0.000 0.274 161 R C -1.603 174.685 176.300 -0.021 0.000 1.061 161 R CA -1.334 54.759 56.100 -0.012 0.000 1.081 161 R CB 0.036 30.335 30.300 -0.002 0.000 0.984 161 R HN 0.380 nan 8.270 nan 0.000 0.448 162 P HA -0.179 nan 4.420 nan 0.000 0.216 162 P C 0.823 178.123 177.300 0.000 0.000 1.150 162 P CA 1.338 64.434 63.100 -0.008 0.000 0.837 162 P CB 0.185 31.889 31.700 0.005 0.000 0.786 163 S N -1.398 114.297 115.700 -0.008 0.000 2.660 163 S HA 0.041 4.490 4.470 -0.034 0.000 0.223 163 S C 0.765 175.339 174.600 -0.043 0.000 0.963 163 S CA -0.413 57.777 58.200 -0.017 0.000 0.932 163 S CB -1.360 61.830 63.200 -0.017 0.000 0.775 163 S HN -0.005 nan 8.310 nan 0.000 0.531 164 V N 2.562 122.453 119.914 -0.038 0.000 2.673 164 V HA 0.197 4.296 4.120 -0.034 0.000 0.303 164 V C 0.152 176.199 176.094 -0.079 0.000 1.046 164 V CA -0.299 61.965 62.300 -0.060 0.000 1.126 164 V CB 0.213 32.018 31.823 -0.030 0.000 0.934 164 V HN 0.518 nan 8.190 nan 0.000 0.487 165 R N 6.617 127.018 120.500 -0.165 0.000 2.205 165 R HA 0.438 4.758 4.340 -0.034 0.000 0.342 165 R C -0.231 176.045 176.300 -0.041 0.000 1.058 165 R CA -0.256 55.754 56.100 -0.150 0.000 0.904 165 R CB 0.686 30.776 30.300 -0.350 0.000 1.089 165 R HN 0.691 nan 8.270 nan 0.000 0.471 166 R N 1.198 121.699 120.500 0.002 0.000 2.500 166 R HA 0.380 4.699 4.340 -0.034 0.000 0.277 166 R C -0.369 175.952 176.300 0.036 0.000 1.026 166 R CA -0.391 55.727 56.100 0.029 0.000 1.058 166 R CB 1.672 31.997 30.300 0.043 0.000 1.078 166 R HN 0.364 nan 8.270 nan 0.000 0.509 167 T N 2.363 116.935 114.554 0.030 0.000 3.031 167 T HA 0.252 4.582 4.350 -0.034 0.000 0.305 167 T C -1.143 173.551 174.700 -0.010 0.000 0.985 167 T CA -0.639 61.473 62.100 0.020 0.000 1.008 167 T CB 1.211 70.097 68.868 0.030 0.000 1.005 167 T HN 0.291 nan 8.240 nan 0.000 0.444 168 M N 4.680 124.260 119.600 -0.033 0.000 2.101 168 M HA 0.544 5.004 4.480 -0.034 0.000 0.340 168 M C -1.668 174.549 176.300 -0.138 0.000 1.057 168 M CA -0.929 54.302 55.300 -0.115 0.000 0.984 168 M CB 0.187 32.698 32.600 -0.147 0.000 1.560 168 M HN 0.494 nan 8.290 nan 0.000 0.435 169 L N 6.104 127.242 121.223 -0.142 0.000 2.313 169 L HA 0.399 4.719 4.340 -0.034 0.000 0.273 169 L C -0.658 176.157 176.870 -0.091 0.000 1.028 169 L CA -0.501 54.292 54.840 -0.080 0.000 0.871 169 L CB 0.193 42.229 42.059 -0.038 0.000 1.242 169 L HN 0.694 nan 8.230 nan 0.000 0.434 170 H N 3.385 122.473 119.070 0.029 0.000 2.610 170 H HA 0.260 4.802 4.556 -0.023 0.000 0.336 170 H C -0.061 175.256 175.328 -0.018 0.000 1.087 170 H CA -0.538 55.534 56.048 0.039 0.000 1.405 170 H CB 1.102 30.917 29.762 0.089 0.000 1.460 170 H HN 0.397 nan 8.280 nan 0.000 0.538 171 L N 3.213 124.485 121.223 0.083 0.000 3.592 171 L HA -0.309 4.011 4.340 -0.034 0.000 0.633 171 L C -0.524 176.270 176.870 -0.128 0.000 1.071 171 L CA 0.817 55.603 54.840 -0.089 0.000 1.090 171 L CB -0.753 41.169 42.059 -0.228 0.000 1.328 171 L HN 0.893 nan 8.230 nan 0.000 0.786 172 N N 1.332 119.911 118.700 -0.201 0.000 2.159 172 N HA 0.402 5.121 4.740 -0.034 0.000 0.217 172 N C 0.986 176.057 175.510 -0.732 0.000 1.223 172 N CA 0.078 52.897 53.050 -0.385 0.000 0.896 172 N CB 0.630 38.912 38.487 -0.342 0.000 1.064 172 N HN 0.921 nan 8.380 nan 0.000 0.518 173 G N 0.899 109.447 108.800 -0.421 0.000 2.642 173 G HA2 -0.307 3.633 3.960 -0.034 0.000 0.231 173 G HA3 -0.307 3.633 3.960 -0.034 0.000 0.231 173 G C 0.594 175.291 174.900 -0.337 0.000 1.338 173 G CA -0.236 44.656 45.100 -0.348 0.000 0.883 173 G HN 0.282 nan 8.290 nan 0.000 0.570 174 C N 0.533 119.710 119.300 -0.205 0.000 2.466 174 C HA 0.201 4.641 4.460 -0.034 0.000 0.283 174 C C 2.133 176.949 174.990 -0.290 0.000 1.472 174 C CA 1.563 60.436 59.018 -0.243 0.000 1.765 174 C CB -2.189 25.414 27.740 -0.228 0.000 1.724 174 C HN 0.622 nan 8.230 nan 0.000 0.560 175 F N -0.609 119.259 119.950 -0.137 0.000 2.653 175 F HA 0.569 5.071 4.527 -0.041 0.000 0.304 175 F C 1.717 177.477 175.800 -0.068 0.000 1.092 175 F CA 0.044 57.972 58.000 -0.119 0.000 1.279 175 F CB -1.013 37.940 39.000 -0.078 0.000 1.044 175 F HN -0.035 nan 8.300 nan 0.000 0.564 176 A N 1.689 124.326 122.820 -0.305 0.000 1.908 176 A HA 0.013 4.313 4.320 -0.034 0.000 0.218 176 A C 2.491 180.063 177.584 -0.021 0.000 1.181 176 A CA 1.864 53.793 52.037 -0.181 0.000 0.627 176 A CB -1.577 17.294 19.000 -0.214 0.000 0.818 176 A HN 0.524 nan 8.150 nan 0.000 0.445 177 G N -0.926 107.872 108.800 -0.004 0.000 2.446 177 G HA2 -0.304 3.635 3.960 -0.034 0.000 0.217 177 G HA3 -0.304 3.635 3.960 -0.034 0.000 0.217 177 G C 1.606 176.529 174.900 0.038 0.000 1.168 177 G CA 1.379 46.495 45.100 0.027 0.000 0.771 177 G HN 0.531 nan 8.290 nan 0.000 0.551 178 C N 0.712 120.045 119.300 0.056 0.000 2.466 178 C HA 0.280 4.719 4.460 -0.034 0.000 0.278 178 C C 3.541 178.575 174.990 0.072 0.000 1.288 178 C CA 0.645 59.697 59.018 0.056 0.000 1.722 178 C CB -0.899 26.869 27.740 0.048 0.000 2.017 178 C HN 0.579 nan 8.230 nan 0.000 0.488 179 A N 0.784 123.681 122.820 0.128 0.000 1.908 179 A HA -0.011 4.289 4.320 -0.034 0.000 0.218 179 A C 2.365 179.990 177.584 0.069 0.000 1.181 179 A CA 2.232 54.348 52.037 0.133 0.000 0.627 179 A CB -0.946 18.203 19.000 0.249 0.000 0.818 179 A HN 0.573 nan 8.150 nan 0.000 0.445 180 A N -0.325 122.523 122.820 0.047 0.000 1.877 180 A HA -0.048 4.252 4.320 -0.034 0.000 0.216 180 A C 2.171 179.760 177.584 0.009 0.000 1.186 180 A CA 1.528 53.577 52.037 0.019 0.000 0.620 180 A CB -0.615 18.388 19.000 0.005 0.000 0.822 180 A HN 0.477 nan 8.150 nan 0.000 0.443 181 L N -1.168 120.062 121.223 0.011 0.000 2.141 181 L HA -0.145 4.175 4.340 -0.034 0.000 0.209 181 L C 2.759 179.632 176.870 0.004 0.000 1.094 181 L CA 1.548 56.389 54.840 0.001 0.000 0.763 181 L CB -0.447 41.615 42.059 0.004 0.000 0.908 181 L HN 0.493 nan 8.230 nan 0.000 0.437 182 R N 0.177 120.688 120.500 0.018 0.000 2.096 182 R HA -0.204 4.115 4.340 -0.034 0.000 0.235 182 R C 2.292 178.596 176.300 0.007 0.000 1.127 182 R CA 1.266 57.378 56.100 0.020 0.000 0.968 182 R CB -0.155 30.162 30.300 0.027 0.000 0.861 182 R HN 0.174 nan 8.270 nan 0.000 0.440 183 L N 0.786 122.012 121.223 0.006 0.000 2.027 183 L HA 0.005 4.325 4.340 -0.034 0.000 0.206 183 L C 2.284 179.137 176.870 -0.029 0.000 1.074 183 L CA 2.169 57.008 54.840 -0.003 0.000 0.745 183 L CB -1.242 40.822 42.059 0.007 0.000 0.898 183 L HN 0.281 nan 8.230 nan 0.000 0.433 184 A N -0.352 122.446 122.820 -0.037 0.000 1.948 184 A HA -0.306 3.994 4.320 -0.034 0.000 0.220 184 A C 2.431 179.966 177.584 -0.081 0.000 1.177 184 A CA 2.101 54.095 52.037 -0.072 0.000 0.636 184 A CB -0.675 18.285 19.000 -0.065 0.000 0.815 184 A HN 0.552 nan 8.150 nan 0.000 0.449 185 K N -0.459 119.913 120.400 -0.046 0.000 2.020 185 K HA -0.263 4.037 4.320 -0.034 0.000 0.212 185 K C 1.307 177.878 176.600 -0.049 0.000 1.050 185 K CA 2.065 58.331 56.287 -0.036 0.000 0.929 185 K CB -0.313 32.182 32.500 -0.008 0.000 0.714 185 K HN 0.389 nan 8.250 nan 0.000 0.443 186 D N 0.755 121.128 120.400 -0.045 0.000 2.144 186 D HA -0.106 4.514 4.640 -0.034 0.000 0.200 186 D C 2.059 178.308 176.300 -0.084 0.000 0.978 186 D CA 0.915 54.888 54.000 -0.045 0.000 0.833 186 D CB -0.138 40.647 40.800 -0.025 0.000 0.961 186 D HN 0.260 nan 8.370 nan 0.000 0.470 187 L N 0.618 121.757 121.223 -0.141 0.000 2.017 187 L HA -0.151 4.168 4.340 -0.034 0.000 0.208 187 L C 2.539 179.210 176.870 -0.332 0.000 1.073 187 L CA 1.317 55.976 54.840 -0.302 0.000 0.745 187 L CB -0.577 41.200 42.059 -0.470 0.000 0.894 187 L HN -0.014 nan 8.230 nan 0.000 0.432 188 A N -0.041 122.636 122.820 -0.237 0.000 1.873 188 A HA -0.194 4.105 4.320 -0.034 0.000 0.215 188 A C 2.183 179.715 177.584 -0.086 0.000 1.186 188 A CA 1.565 53.506 52.037 -0.161 0.000 0.616 188 A CB -0.432 18.496 19.000 -0.120 0.000 0.823 188 A HN 0.439 nan 8.150 nan 0.000 0.442 189 E N -0.724 119.437 120.200 -0.065 0.000 2.152 189 E HA -0.155 4.174 4.350 -0.034 0.000 0.192 189 E C 1.605 178.192 176.600 -0.023 0.000 0.983 189 E CA 0.963 57.343 56.400 -0.033 0.000 0.818 189 E CB -0.149 29.538 29.700 -0.022 0.000 0.758 189 E HN 0.599 nan 8.360 nan 0.000 0.467 190 N N -0.057 118.625 118.700 -0.031 0.000 2.494 190 N HA -0.026 4.693 4.740 -0.034 0.000 0.182 190 N C -0.704 174.811 175.510 0.008 0.000 1.076 190 N CA 0.333 53.378 53.050 -0.008 0.000 0.908 190 N CB 0.505 38.989 38.487 -0.004 0.000 0.967 190 N HN -0.165 nan 8.380 nan 0.000 0.449 191 S N -0.004 115.699 115.700 0.006 0.000 2.659 191 S HA 0.285 4.734 4.470 -0.034 0.000 0.312 191 S C -0.634 173.986 174.600 0.033 0.000 1.114 191 S CA -0.774 57.449 58.200 0.038 0.000 1.063 191 S CB 1.934 65.189 63.200 0.091 0.000 0.996 191 S HN 0.251 nan 8.310 nan 0.000 0.478 192 R N 2.028 122.548 120.500 0.033 0.000 2.480 192 R HA 0.346 4.665 4.340 -0.034 0.000 0.303 192 R C 1.309 177.636 176.300 0.045 0.000 0.985 192 R CA 1.718 57.837 56.100 0.032 0.000 1.051 192 R CB -0.723 29.594 30.300 0.028 0.000 0.935 192 R HN 1.008 nan 8.270 nan 0.000 0.410 193 G N 2.095 110.923 108.800 0.047 0.000 2.176 193 G HA2 -0.285 3.654 3.960 -0.034 0.000 0.253 193 G HA3 -0.285 3.654 3.960 -0.034 0.000 0.253 193 G C 0.221 175.170 174.900 0.082 0.000 0.979 193 G CA -0.017 45.122 45.100 0.065 0.000 0.641 193 G HN 0.983 nan 8.290 nan 0.000 0.530 194 A N 0.029 122.887 122.820 0.063 0.000 2.498 194 A HA 0.651 4.950 4.320 -0.034 0.000 0.239 194 A C 0.593 178.193 177.584 0.027 0.000 1.068 194 A CA 0.472 52.548 52.037 0.065 0.000 0.766 194 A CB 0.307 19.300 19.000 -0.011 0.000 1.003 194 A HN 0.407 nan 8.150 nan 0.000 0.497 195 R N 1.624 122.148 120.500 0.039 0.000 2.502 195 R HA 0.451 4.771 4.340 -0.034 0.000 0.298 195 R C -1.447 174.792 176.300 -0.101 0.000 1.018 195 R CA -0.597 55.457 56.100 -0.076 0.000 0.899 195 R CB 1.145 31.422 30.300 -0.038 0.000 1.181 195 R HN 0.448 nan 8.270 nan 0.000 0.444 196 V N 3.833 123.643 119.914 -0.172 0.000 2.472 196 V HA 0.422 4.521 4.120 -0.034 0.000 0.290 196 V C -0.140 175.848 176.094 -0.176 0.000 1.037 196 V CA -1.036 61.188 62.300 -0.127 0.000 0.908 196 V CB 1.854 33.596 31.823 -0.135 0.000 0.985 196 V HN 0.476 nan 8.190 nan 0.000 0.454 197 L N 6.652 127.806 121.223 -0.114 0.000 2.277 197 L HA 0.595 4.915 4.340 -0.034 0.000 0.284 197 L C -0.403 176.423 176.870 -0.074 0.000 1.028 197 L CA 0.092 54.861 54.840 -0.119 0.000 0.835 197 L CB 1.235 43.243 42.059 -0.084 0.000 1.215 197 L HN 0.444 nan 8.230 nan 0.000 0.425 198 V N 5.953 125.818 119.914 -0.080 0.000 2.439 198 V HA 0.585 4.685 4.120 -0.034 0.000 0.282 198 V C -0.225 175.842 176.094 -0.046 0.000 1.039 198 V CA -0.501 61.767 62.300 -0.052 0.000 0.913 198 V CB 1.654 33.448 31.823 -0.049 0.000 0.983 198 V HN 0.531 nan 8.190 nan 0.000 0.460 199 V N 3.853 123.748 119.914 -0.032 0.000 2.577 199 V HA 0.835 4.935 4.120 -0.034 0.000 0.303 199 V C -0.015 176.073 176.094 -0.010 0.000 1.042 199 V CA -0.535 61.750 62.300 -0.025 0.000 0.872 199 V CB 1.811 33.619 31.823 -0.024 0.000 0.998 199 V HN 0.986 nan 8.190 nan 0.000 0.423 200 A N 3.607 126.430 122.820 0.005 0.000 2.343 200 A HA 1.024 5.324 4.320 -0.034 0.000 0.316 200 A C -0.321 177.294 177.584 0.053 0.000 1.104 200 A CA -0.184 51.868 52.037 0.026 0.000 0.768 200 A CB 1.714 20.737 19.000 0.039 0.000 1.213 200 A HN 1.610 nan 8.150 nan 0.000 0.456 201 A N 1.643 124.496 122.820 0.054 0.000 2.515 201 A HA 0.814 5.113 4.320 -0.034 0.000 0.298 201 A C -0.991 176.641 177.584 0.080 0.000 1.059 201 A CA -0.411 51.668 52.037 0.071 0.000 0.698 201 A CB 1.634 20.660 19.000 0.043 0.000 1.289 201 A HN 1.042 nan 8.150 nan 0.000 0.404 202 E N 1.433 121.696 120.200 0.104 0.000 2.274 202 E HA 0.605 4.934 4.350 -0.034 0.000 0.269 202 E C -2.082 174.597 176.600 0.131 0.000 0.891 202 E CA -0.268 56.206 56.400 0.123 0.000 0.784 202 E CB 1.287 31.097 29.700 0.184 0.000 1.225 202 E HN 0.523 nan 8.360 nan 0.000 0.412 203 L N 5.175 126.451 121.223 0.088 0.000 2.318 203 L HA 0.324 4.644 4.340 -0.034 0.000 0.277 203 L C 1.067 177.982 176.870 0.075 0.000 1.008 203 L CA -0.468 54.437 54.840 0.109 0.000 0.846 203 L CB 1.605 43.691 42.059 0.046 0.000 1.220 203 L HN 0.869 nan 8.230 nan 0.000 0.423 204 T N -0.921 113.774 114.554 0.234 0.000 3.139 204 T HA -0.111 4.219 4.350 -0.034 0.000 0.267 204 T C 1.544 176.308 174.700 0.106 0.000 1.164 204 T CA 0.536 62.805 62.100 0.282 0.000 1.075 204 T CB -0.372 68.825 68.868 0.549 0.000 0.904 204 T HN 0.552 nan 8.240 nan 0.000 0.540 205 L N -1.865 119.348 121.223 -0.016 0.000 2.362 205 L HA 0.238 4.557 4.340 -0.034 0.000 0.219 205 L C 2.202 178.891 176.870 -0.301 0.000 1.134 205 L CA 1.060 55.731 54.840 -0.282 0.000 0.807 205 L CB -1.141 40.818 42.059 -0.167 0.000 0.927 205 L HN 0.049 nan 8.230 nan 0.000 0.447 206 M N -0.801 118.592 119.600 -0.344 0.000 2.358 206 M HA -0.088 4.371 4.480 -0.034 0.000 0.264 206 M C 1.522 177.598 176.300 -0.373 0.000 1.064 206 M CA 1.596 56.642 55.300 -0.423 0.000 1.093 206 M CB -0.950 31.337 32.600 -0.522 0.000 1.401 206 M HN 0.440 nan 8.290 nan 0.000 0.440 207 Y N -2.586 117.664 120.300 -0.084 0.000 2.462 207 Y HA 0.227 4.755 4.550 -0.035 0.000 0.253 207 Y C 0.630 176.477 175.900 -0.088 0.000 1.095 207 Y CA -1.393 56.648 58.100 -0.098 0.000 1.283 207 Y CB -0.441 37.934 38.460 -0.141 0.000 1.138 207 Y HN -0.085 nan 8.280 nan 0.000 0.522 208 F N 2.233 122.150 119.950 -0.056 0.000 2.593 208 F HA 0.242 4.748 4.527 -0.035 0.000 0.393 208 F C 0.648 176.433 175.800 -0.025 0.000 1.037 208 F CA 0.781 58.746 58.000 -0.058 0.000 1.195 208 F CB 0.278 39.156 39.000 -0.205 0.000 1.034 208 F HN -0.070 nan 8.300 nan 0.000 0.552 209 T N 3.542 117.842 114.554 -0.424 0.000 2.739 209 T HA 0.587 4.916 4.350 -0.034 0.000 0.303 209 T C -0.081 174.420 174.700 -0.331 0.000 1.389 209 T CA -0.192 61.782 62.100 -0.209 0.000 1.001 209 T CB 0.711 69.524 68.868 -0.092 0.000 1.436 209 T HN 0.813 nan 8.240 nan 0.000 0.500 210 G N 1.981 110.655 108.800 -0.211 0.000 2.634 210 G HA2 0.553 4.492 3.960 -0.034 0.000 0.255 210 G HA3 0.553 4.492 3.960 -0.034 0.000 0.255 210 G C -2.370 172.381 174.900 -0.248 0.000 1.205 210 G CA -0.924 43.996 45.100 -0.301 0.000 0.884 210 G HN 0.660 nan 8.290 nan 0.000 0.549 211 P HA 0.192 nan 4.420 nan 0.000 0.272 211 P C -1.041 176.169 177.300 -0.151 0.000 1.230 211 P CA 0.038 62.968 63.100 -0.284 0.000 0.788 211 P CB 1.550 32.941 31.700 -0.516 0.000 0.949 212 D N -0.424 119.933 120.400 -0.071 0.000 2.857 212 D HA 0.122 4.741 4.640 -0.034 0.000 0.227 212 D C 0.719 177.133 176.300 0.189 0.000 1.192 212 D CA -0.466 53.557 54.000 0.039 0.000 0.857 212 D CB 1.402 42.235 40.800 0.055 0.000 1.645 212 D HN 0.100 nan 8.370 nan 0.000 0.482 213 E N 1.935 122.252 120.200 0.193 0.000 2.033 213 E HA 0.044 4.374 4.350 -0.034 0.000 0.189 213 E C 1.932 178.690 176.600 0.263 0.000 0.979 213 E CA 1.093 57.677 56.400 0.307 0.000 0.802 213 E CB -0.539 29.256 29.700 0.160 0.000 0.763 213 E HN 0.652 nan 8.360 nan 0.000 0.449 214 G N 0.935 109.805 108.800 0.117 0.000 2.446 214 G HA2 -0.232 3.707 3.960 -0.034 0.000 0.217 214 G HA3 -0.232 3.707 3.960 -0.034 0.000 0.217 214 G C 0.744 175.626 174.900 -0.031 0.000 1.168 214 G CA 0.993 46.105 45.100 0.021 0.000 0.771 214 G HN 0.362 nan 8.290 nan 0.000 0.551 215 C N -0.641 118.705 119.300 0.077 0.000 2.482 215 C HA 0.680 5.119 4.460 -0.034 0.000 0.317 215 C C 0.377 175.581 174.990 0.357 0.000 1.197 215 C CA -1.098 57.965 59.018 0.075 0.000 1.432 215 C CB 0.040 27.804 27.740 0.040 0.000 2.062 215 C HN 0.386 nan 8.230 nan 0.000 0.471 216 F N 4.569 124.517 119.950 -0.002 0.000 2.668 216 F HA 0.115 4.621 4.527 -0.035 0.000 0.297 216 F C 2.143 177.939 175.800 -0.007 0.000 1.124 216 F CA -0.510 57.493 58.000 0.005 0.000 1.353 216 F CB 0.096 39.118 39.000 0.037 0.000 0.992 216 F HN 0.727 nan 8.300 nan 0.000 0.524 217 R N -0.498 120.089 120.500 0.145 0.000 2.096 217 R HA -0.107 4.213 4.340 -0.034 0.000 0.235 217 R C 1.518 177.816 176.300 -0.003 0.000 1.127 217 R CA 1.806 57.936 56.100 0.050 0.000 0.968 217 R CB -1.283 29.018 30.300 0.001 0.000 0.861 217 R HN -0.002 nan 8.270 nan 0.000 0.440 218 T N 2.151 116.692 114.554 -0.022 0.000 2.708 218 T HA -0.053 4.277 4.350 -0.034 0.000 0.266 218 T C 1.925 176.515 174.700 -0.183 0.000 1.037 218 T CA 1.579 63.607 62.100 -0.120 0.000 1.146 218 T CB -0.212 68.581 68.868 -0.125 0.000 0.865 218 T HN 0.143 nan 8.240 nan 0.000 0.435 219 L N 0.066 121.208 121.223 -0.136 0.000 2.083 219 L HA -0.056 4.264 4.340 -0.034 0.000 0.209 219 L C 2.464 179.432 176.870 0.163 0.000 1.083 219 L CA 0.601 55.385 54.840 -0.095 0.000 0.752 219 L CB -0.573 41.495 42.059 0.016 0.000 0.899 219 L HN 0.186 nan 8.230 nan 0.000 0.433 220 L N -0.516 120.782 121.223 0.125 0.000 1.994 220 L HA -0.181 4.139 4.340 -0.034 0.000 0.208 220 L C 2.430 179.398 176.870 0.164 0.000 1.071 220 L CA 1.606 56.532 54.840 0.143 0.000 0.745 220 L CB -0.481 41.650 42.059 0.120 0.000 0.892 220 L HN -0.072 nan 8.230 nan 0.000 0.431 221 V N -0.828 119.137 119.914 0.085 0.000 2.407 221 V HA -0.264 3.836 4.120 -0.034 0.000 0.248 221 V C 2.515 178.707 176.094 0.165 0.000 1.055 221 V CA 1.318 63.675 62.300 0.095 0.000 1.049 221 V CB -0.572 31.074 31.823 -0.296 0.000 0.662 221 V HN 0.511 nan 8.190 nan 0.000 0.455 222 Q N 0.098 119.912 119.800 0.024 0.000 2.291 222 Q HA -0.057 4.262 4.340 -0.034 0.000 0.205 222 Q C 2.114 178.265 176.000 0.251 0.000 0.970 222 Q CA 1.532 57.338 55.803 0.005 0.000 0.876 222 Q CB -0.332 28.052 28.738 -0.591 0.000 0.935 222 Q HN 0.680 nan 8.270 nan 0.000 0.455 223 G N -0.662 108.306 108.800 0.281 0.000 3.233 223 G HA2 0.187 4.126 3.960 -0.034 0.000 0.234 223 G HA3 0.187 4.126 3.960 -0.034 0.000 0.234 223 G C 0.998 175.933 174.900 0.058 0.000 1.137 223 G CA -0.011 45.163 45.100 0.124 0.000 0.763 223 G HN 0.260 nan 8.290 nan 0.000 0.549 224 L N -1.620 119.674 121.223 0.118 0.000 2.758 224 L HA 0.612 4.932 4.340 -0.034 0.000 0.234 224 L C -0.293 176.524 176.870 -0.090 0.000 1.049 224 L CA -0.109 54.724 54.840 -0.011 0.000 0.908 224 L CB 0.129 42.154 42.059 -0.057 0.000 1.362 224 L HN -0.063 nan 8.230 nan 0.000 0.499 225 F N 0.497 120.477 119.950 0.050 0.000 2.375 225 F HA 0.662 5.167 4.527 -0.037 0.000 0.333 225 F C 1.046 176.930 175.800 0.140 0.000 1.104 225 F CA 0.069 58.124 58.000 0.092 0.000 1.149 225 F CB 1.121 40.179 39.000 0.096 0.000 1.190 225 F HN 0.073 nan 8.300 nan 0.000 0.533 226 G N 0.884 109.864 108.800 0.298 0.000 2.766 226 G HA2 0.484 4.423 3.960 -0.034 0.000 0.288 226 G HA3 0.484 4.423 3.960 -0.034 0.000 0.288 226 G C -1.835 173.224 174.900 0.265 0.000 1.408 226 G CA -0.828 44.422 45.100 0.250 0.000 0.852 226 G HN 0.374 nan 8.290 nan 0.000 0.487 227 D N -0.801 119.749 120.400 0.249 0.000 2.294 227 D HA 0.696 5.316 4.640 -0.034 0.000 0.250 227 D C 0.497 176.902 176.300 0.175 0.000 1.058 227 D CA 0.503 54.639 54.000 0.225 0.000 0.950 227 D CB 1.748 42.688 40.800 0.234 0.000 1.158 227 D HN 0.868 nan 8.370 nan 0.000 0.453 228 G N -1.366 107.522 108.800 0.147 0.000 2.338 228 G HA2 0.606 4.545 3.960 -0.034 0.000 0.295 228 G HA3 0.606 4.545 3.960 -0.034 0.000 0.295 228 G C -2.022 172.995 174.900 0.195 0.000 1.461 228 G CA -0.250 44.942 45.100 0.153 0.000 0.817 228 G HN 0.600 nan 8.290 nan 0.000 0.556 229 A N -1.006 121.967 122.820 0.255 0.000 2.520 229 A HA 1.084 5.384 4.320 -0.034 0.000 0.298 229 A C -0.352 177.281 177.584 0.083 0.000 1.051 229 A CA 0.229 52.357 52.037 0.152 0.000 0.690 229 A CB 1.589 20.629 19.000 0.066 0.000 1.281 229 A HN 2.549 nan 8.150 nan 0.000 0.402 230 A N 0.424 123.253 122.820 0.015 0.000 2.486 230 A HA 0.953 5.253 4.320 -0.034 0.000 0.300 230 A C -0.369 177.159 177.584 -0.094 0.000 1.048 230 A CA 0.074 52.023 52.037 -0.147 0.000 0.696 230 A CB 1.437 20.330 19.000 -0.179 0.000 1.278 230 A HN 2.524 nan 8.150 nan 0.000 0.405 231 A N 0.965 123.711 122.820 -0.123 0.000 2.401 231 A HA 0.832 5.132 4.320 -0.034 0.000 0.310 231 A C -1.049 176.476 177.584 -0.099 0.000 1.075 231 A CA -0.564 51.419 52.037 -0.090 0.000 0.746 231 A CB 1.547 20.502 19.000 -0.075 0.000 1.277 231 A HN 1.539 nan 8.150 nan 0.000 0.425 232 V N 2.747 122.603 119.914 -0.096 0.000 2.760 232 V HA 0.422 4.522 4.120 -0.034 0.000 0.309 232 V C -0.854 175.141 176.094 -0.166 0.000 1.077 232 V CA -0.579 61.656 62.300 -0.109 0.000 0.910 232 V CB 1.852 33.630 31.823 -0.076 0.000 1.008 232 V HN 0.746 nan 8.190 nan 0.000 0.424 233 I N 4.148 124.576 120.570 -0.237 0.000 2.336 233 I HA 0.498 4.648 4.170 -0.034 0.000 0.292 233 I C -0.190 175.732 176.117 -0.325 0.000 0.991 233 I CA -0.348 60.701 61.300 -0.418 0.000 1.227 233 I CB 1.591 39.108 38.000 -0.804 0.000 1.366 233 I HN 0.290 nan 8.210 nan 0.000 0.466 234 V N 5.118 124.865 119.914 -0.279 0.000 2.555 234 V HA 0.948 5.048 4.120 -0.034 0.000 0.302 234 V C 0.295 176.278 176.094 -0.185 0.000 1.038 234 V CA -0.417 61.775 62.300 -0.180 0.000 0.887 234 V CB 1.933 33.684 31.823 -0.121 0.000 0.991 234 V HN 0.989 nan 8.190 nan 0.000 0.434 235 G N 2.264 110.991 108.800 -0.122 0.000 2.616 235 G HA2 0.734 4.674 3.960 -0.034 0.000 0.294 235 G HA3 0.734 4.674 3.960 -0.034 0.000 0.294 235 G C -1.144 173.739 174.900 -0.029 0.000 1.489 235 G CA 0.076 45.130 45.100 -0.077 0.000 0.836 235 G HN 1.036 nan 8.290 nan 0.000 0.527 236 A N 0.363 123.177 122.820 -0.011 0.000 2.282 236 A HA 0.806 5.105 4.320 -0.034 0.000 0.324 236 A C -0.118 177.479 177.584 0.021 0.000 1.119 236 A CA -0.043 51.996 52.037 0.005 0.000 0.880 236 A CB 0.471 19.470 19.000 -0.001 0.000 1.294 236 A HN 1.240 nan 8.150 nan 0.000 0.493 237 D N -0.827 119.586 120.400 0.022 0.000 3.038 237 D HA -0.098 4.522 4.640 -0.034 0.000 0.229 237 D C 0.309 176.632 176.300 0.039 0.000 1.182 237 D CA 1.357 55.373 54.000 0.026 0.000 0.852 237 D CB -1.569 39.245 40.800 0.024 0.000 0.932 237 D HN 1.053 nan 8.370 nan 0.000 0.406 238 A N 1.352 124.196 122.820 0.040 0.000 2.498 238 A HA 0.287 4.587 4.320 -0.034 0.000 0.239 238 A C 0.594 178.205 177.584 0.045 0.000 1.068 238 A CA -0.063 52.007 52.037 0.055 0.000 0.766 238 A CB 0.530 19.557 19.000 0.045 0.000 1.003 238 A HN 0.235 nan 8.150 nan 0.000 0.497 239 D N 0.795 121.229 120.400 0.055 0.000 2.377 239 D HA 0.271 4.891 4.640 -0.034 0.000 0.245 239 D C 0.402 176.710 176.300 0.013 0.000 1.196 239 D CA 0.005 54.022 54.000 0.028 0.000 0.962 239 D CB 0.430 41.241 40.800 0.019 0.000 1.127 239 D HN 0.568 nan 8.370 nan 0.000 0.471 240 D N -0.792 119.607 120.400 -0.001 0.000 2.310 240 D HA -0.096 4.523 4.640 -0.034 0.000 0.212 240 D C 1.727 178.017 176.300 -0.016 0.000 0.965 240 D CA 0.543 54.538 54.000 -0.009 0.000 0.879 240 D CB 0.155 40.947 40.800 -0.013 0.000 0.921 240 D HN 0.243 nan 8.370 nan 0.000 0.510 241 V N -1.934 117.967 119.914 -0.022 0.000 3.406 241 V HA 0.091 4.191 4.120 -0.034 0.000 0.263 241 V C 0.613 176.692 176.094 -0.026 0.000 1.172 241 V CA 0.267 62.544 62.300 -0.038 0.000 1.140 241 V CB -0.474 31.308 31.823 -0.068 0.000 0.784 241 V HN -0.038 nan 8.190 nan 0.000 0.467 242 E N 0.754 120.960 120.200 0.010 0.000 2.283 242 E HA 0.603 4.933 4.350 -0.034 0.000 0.267 242 E C -0.659 175.961 176.600 0.033 0.000 1.045 242 E CA -0.807 55.630 56.400 0.062 0.000 0.884 242 E CB 0.993 30.780 29.700 0.144 0.000 1.106 242 E HN 0.208 nan 8.360 nan 0.000 0.408 243 R N 2.016 122.538 120.500 0.037 0.000 2.477 243 R HA 0.299 4.619 4.340 -0.034 0.000 0.285 243 R C -2.616 173.659 176.300 -0.043 0.000 1.415 243 R CA -2.045 54.044 56.100 -0.018 0.000 1.446 243 R CB 0.306 30.584 30.300 -0.037 0.000 1.110 243 R HN 0.262 nan 8.270 nan 0.000 0.590 244 P HA 0.014 nan 4.420 nan 0.000 0.265 244 P C 0.215 177.412 177.300 -0.173 0.000 1.193 244 P CA 0.200 63.258 63.100 -0.069 0.000 0.765 244 P CB 0.824 32.501 31.700 -0.038 0.000 0.823 245 L N 1.436 122.513 121.223 -0.242 0.000 2.433 245 L HA 0.284 4.603 4.340 -0.034 0.000 0.200 245 L C 0.175 176.530 176.870 -0.858 0.000 1.059 245 L CA 0.695 55.191 54.840 -0.574 0.000 0.835 245 L CB -0.032 41.698 42.059 -0.548 0.000 1.076 245 L HN 0.253 nan 8.230 nan 0.000 0.481 246 F N -0.186 119.731 119.950 -0.056 0.000 2.573 246 F HA 0.345 4.848 4.527 -0.041 0.000 0.316 246 F C -0.309 175.501 175.800 0.016 0.000 1.148 246 F CA -1.014 56.972 58.000 -0.024 0.000 0.940 246 F CB 1.467 40.474 39.000 0.012 0.000 1.214 246 F HN -0.158 nan 8.300 nan 0.000 0.448 247 E N 3.624 123.965 120.200 0.236 0.000 2.249 247 E HA 0.429 4.759 4.350 -0.034 0.000 0.280 247 E C -0.534 176.160 176.600 0.155 0.000 1.016 247 E CA -0.541 55.964 56.400 0.175 0.000 0.830 247 E CB 1.899 31.716 29.700 0.196 0.000 1.081 247 E HN 0.481 nan 8.360 nan 0.000 0.395 248 I N 4.101 124.725 120.570 0.091 0.000 2.278 248 I HA -0.031 4.119 4.170 -0.034 0.000 0.296 248 I C 1.226 177.366 176.117 0.039 0.000 1.121 248 I CA -0.211 61.121 61.300 0.053 0.000 1.267 248 I CB 0.372 38.393 38.000 0.035 0.000 1.447 248 I HN 0.461 nan 8.210 nan 0.000 0.509 249 V N 3.663 123.592 119.914 0.024 0.000 2.270 249 V HA -0.152 3.947 4.120 -0.034 0.000 0.245 249 V C 1.043 177.156 176.094 0.032 0.000 1.043 249 V CA 1.414 63.719 62.300 0.008 0.000 1.014 249 V CB -0.190 31.614 31.823 -0.032 0.000 0.645 249 V HN 0.775 nan 8.190 nan 0.000 0.447 250 S N -1.205 114.528 115.700 0.056 0.000 2.546 250 S HA 0.738 5.188 4.470 -0.034 0.000 0.272 250 S C -0.996 173.785 174.600 0.302 0.000 1.140 250 S CA -0.036 58.276 58.200 0.186 0.000 0.920 250 S CB 1.633 65.026 63.200 0.321 0.000 1.083 250 S HN 0.594 nan 8.310 nan 0.000 0.476 251 A N 2.918 125.865 122.820 0.212 0.000 2.319 251 A HA 0.953 5.253 4.320 -0.034 0.000 0.310 251 A C -0.041 177.582 177.584 0.065 0.000 1.152 251 A CA -0.154 51.988 52.037 0.174 0.000 0.783 251 A CB 0.953 20.001 19.000 0.081 0.000 1.184 251 A HN 1.435 nan 8.150 nan 0.000 0.474 252 A N 1.764 124.571 122.820 -0.021 0.000 2.524 252 A HA 0.950 5.249 4.320 -0.034 0.000 0.286 252 A C -0.691 176.792 177.584 -0.169 0.000 1.203 252 A CA -0.606 51.307 52.037 -0.207 0.000 0.736 252 A CB 1.610 20.282 19.000 -0.547 0.000 1.322 252 A HN 1.023 nan 8.150 nan 0.000 0.424 253 Q N -0.583 119.103 119.800 -0.189 0.000 2.386 253 Q HA 0.576 4.896 4.340 -0.034 0.000 0.274 253 Q C -1.565 174.336 176.000 -0.164 0.000 1.011 253 Q CA -0.309 55.393 55.803 -0.168 0.000 0.867 253 Q CB 2.236 30.880 28.738 -0.156 0.000 1.409 253 Q HN 0.994 nan 8.270 nan 0.000 0.395 254 T N 2.073 116.537 114.554 -0.151 0.000 2.787 254 T HA 0.732 5.061 4.350 -0.034 0.000 0.297 254 T C -1.400 173.238 174.700 -0.103 0.000 1.221 254 T CA -0.428 61.603 62.100 -0.115 0.000 1.006 254 T CB 1.224 70.038 68.868 -0.090 0.000 1.328 254 T HN 0.511 nan 8.240 nan 0.000 0.509 255 I N 1.849 122.376 120.570 -0.073 0.000 2.646 255 I HA 0.538 4.688 4.170 -0.034 0.000 0.299 255 I C -0.561 175.540 176.117 -0.028 0.000 1.036 255 I CA -1.130 60.136 61.300 -0.057 0.000 1.074 255 I CB 2.096 40.063 38.000 -0.054 0.000 1.258 255 I HN 0.518 nan 8.210 nan 0.000 0.430 256 I N 5.599 126.159 120.570 -0.016 0.000 2.359 256 I HA 0.327 4.476 4.170 -0.034 0.000 0.294 256 I C -2.227 173.889 176.117 -0.001 0.000 0.987 256 I CA -1.846 59.450 61.300 -0.008 0.000 1.225 256 I CB 1.441 39.434 38.000 -0.012 0.000 1.366 256 I HN 0.199 nan 8.210 nan 0.000 0.466 257 P HA 0.016 nan 4.420 nan 0.000 0.267 257 P C -0.512 176.810 177.300 0.037 0.000 1.200 257 P CA -0.062 63.046 63.100 0.014 0.000 0.772 257 P CB 0.244 31.949 31.700 0.009 0.000 0.855 258 E N 0.199 120.429 120.200 0.050 0.000 2.202 258 E HA -0.244 4.086 4.350 -0.034 0.000 0.214 258 E C 0.088 176.814 176.600 0.209 0.000 1.303 258 E CA 0.876 57.332 56.400 0.092 0.000 0.714 258 E CB -1.800 27.931 29.700 0.051 0.000 1.130 258 E HN 0.530 nan 8.360 nan 0.000 0.356 259 S N -1.474 114.309 115.700 0.139 0.000 2.701 259 S HA 0.012 4.462 4.470 -0.034 0.000 0.242 259 S C 1.052 175.626 174.600 -0.044 0.000 1.025 259 S CA 0.036 58.253 58.200 0.028 0.000 1.016 259 S CB 0.431 63.612 63.200 -0.032 0.000 0.977 259 S HN 0.292 nan 8.310 nan 0.000 0.546 260 D N 2.468 122.919 120.400 0.085 0.000 2.310 260 D HA -0.231 4.389 4.640 -0.034 0.000 0.212 260 D C 1.678 178.002 176.300 0.041 0.000 0.965 260 D CA 1.304 55.334 54.000 0.050 0.000 0.879 260 D CB -0.924 39.917 40.800 0.068 0.000 0.921 260 D HN 0.777 nan 8.370 nan 0.000 0.510 261 H N 0.133 119.205 119.070 0.003 0.000 2.470 261 H HA 0.322 4.858 4.556 -0.034 0.000 0.289 261 H C 1.619 176.947 175.328 0.001 0.000 1.033 261 H CA 1.024 57.072 56.048 0.001 0.000 1.331 261 H CB -0.465 29.294 29.762 -0.004 0.000 1.414 261 H HN 0.221 nan 8.280 nan 0.000 0.545 262 A N 0.840 123.288 122.820 -0.620 0.000 2.206 262 A HA 0.302 4.601 4.320 -0.034 0.000 0.211 262 A C 0.608 178.101 177.584 -0.152 0.000 1.158 262 A CA 0.259 52.074 52.037 -0.370 0.000 0.761 262 A CB -0.133 18.616 19.000 -0.419 0.000 0.801 262 A HN 0.335 nan 8.150 nan 0.000 0.473 263 L N 0.653 121.814 121.223 -0.102 0.000 2.588 263 L HA 0.448 4.768 4.340 -0.034 0.000 0.263 263 L C -1.650 175.218 176.870 -0.004 0.000 0.935 263 L CA -0.300 54.520 54.840 -0.033 0.000 0.891 263 L CB 1.805 43.859 42.059 -0.008 0.000 1.318 263 L HN 0.425 nan 8.230 nan 0.000 0.409 264 N N 4.265 122.964 118.700 -0.002 0.000 3.127 264 N HA 0.595 5.315 4.740 -0.034 0.000 0.239 264 N C -1.782 173.717 175.510 -0.017 0.000 1.407 264 N CA -0.742 52.309 53.050 0.003 0.000 0.891 264 N CB 1.693 40.184 38.487 0.007 0.000 1.447 264 N HN 0.576 nan 8.380 nan 0.000 0.507 265 M N 0.257 119.840 119.600 -0.029 0.000 2.575 265 M HA 0.599 5.058 4.480 -0.034 0.000 0.284 265 M C -1.117 175.132 176.300 -0.085 0.000 1.253 265 M CA -0.570 54.697 55.300 -0.056 0.000 0.861 265 M CB 3.464 36.020 32.600 -0.072 0.000 1.733 265 M HN 0.800 nan 8.290 nan 0.000 0.462 266 R N 0.057 120.492 120.500 -0.107 0.000 2.739 266 R HA 0.539 4.859 4.340 -0.034 0.000 0.266 266 R C -2.158 174.096 176.300 -0.077 0.000 1.044 266 R CA -0.880 55.145 56.100 -0.126 0.000 0.885 266 R CB 0.729 31.008 30.300 -0.035 0.000 1.260 266 R HN 0.360 nan 8.270 nan 0.000 0.477 267 F N 1.343 121.282 119.950 -0.018 0.000 2.389 267 F HA 0.521 5.026 4.527 -0.036 0.000 0.337 267 F C 1.074 176.857 175.800 -0.028 0.000 1.112 267 F CA 0.417 58.396 58.000 -0.035 0.000 1.192 267 F CB 1.765 40.732 39.000 -0.055 0.000 1.185 267 F HN 0.715 nan 8.300 nan 0.000 0.552 268 T N -1.607 113.059 114.554 0.186 0.000 2.883 268 T HA 0.369 4.699 4.350 -0.034 0.000 0.296 268 T C 0.508 175.234 174.700 0.044 0.000 1.117 268 T CA -0.784 61.368 62.100 0.087 0.000 1.006 268 T CB 1.490 70.394 68.868 0.059 0.000 1.191 268 T HN 0.549 nan 8.240 nan 0.000 0.508 269 E N 0.108 120.321 120.200 0.020 0.000 2.209 269 E HA -0.114 4.215 4.350 -0.034 0.000 0.196 269 E C 1.854 178.458 176.600 0.008 0.000 0.993 269 E CA 1.023 57.423 56.400 0.001 0.000 0.819 269 E CB -0.078 29.625 29.700 0.004 0.000 0.745 269 E HN 0.456 nan 8.360 nan 0.000 0.477 270 R N 0.139 120.651 120.500 0.019 0.000 2.161 270 R HA 0.149 4.468 4.340 -0.034 0.000 0.213 270 R C 0.720 177.025 176.300 0.008 0.000 1.055 270 R CA 0.691 56.806 56.100 0.024 0.000 0.996 270 R CB -0.083 30.233 30.300 0.026 0.000 0.901 270 R HN 0.145 nan 8.270 nan 0.000 0.456 271 R N -2.790 117.715 120.500 0.008 0.000 3.221 271 R HA 0.089 4.409 4.340 -0.034 0.000 0.274 271 R C -1.723 174.618 176.300 0.068 0.000 0.909 271 R CA -0.946 55.148 56.100 -0.010 0.000 0.803 271 R CB -0.307 29.981 30.300 -0.020 0.000 1.513 271 R HN -0.056 nan 8.270 nan 0.000 0.491 272 L N 2.123 123.394 121.223 0.079 0.000 2.283 272 L HA 0.464 4.784 4.340 -0.034 0.000 0.287 272 L C -0.773 176.193 176.870 0.160 0.000 1.073 272 L CA 0.454 55.384 54.840 0.150 0.000 0.822 272 L CB 0.771 42.862 42.059 0.054 0.000 1.186 272 L HN 0.588 nan 8.230 nan 0.000 0.436 273 D N 2.640 123.096 120.400 0.093 0.000 2.525 273 D HA 0.866 5.485 4.640 -0.034 0.000 0.249 273 D C -0.136 176.169 176.300 0.009 0.000 1.072 273 D CA 0.372 54.401 54.000 0.047 0.000 1.067 273 D CB 2.344 43.162 40.800 0.030 0.000 1.282 273 D HN 0.686 nan 8.370 nan 0.000 0.587 274 G N -1.124 107.665 108.800 -0.018 0.000 2.392 274 G HA2 0.414 4.353 3.960 -0.034 0.000 0.260 274 G HA3 0.414 4.353 3.960 -0.034 0.000 0.260 274 G C -1.871 173.009 174.900 -0.033 0.000 1.226 274 G CA -0.179 44.903 45.100 -0.030 0.000 0.913 274 G HN 0.469 nan 8.290 nan 0.000 0.483 275 V N 0.158 120.052 119.914 -0.034 0.000 2.888 275 V HA 0.647 4.747 4.120 -0.034 0.000 0.309 275 V C -0.889 175.188 176.094 -0.027 0.000 1.114 275 V CA -0.513 61.771 62.300 -0.026 0.000 0.940 275 V CB 1.874 33.690 31.823 -0.012 0.000 1.021 275 V HN 0.680 nan 8.190 nan 0.000 0.426 276 L N 3.679 124.891 121.223 -0.019 0.000 2.345 276 L HA 0.737 5.057 4.340 -0.034 0.000 0.274 276 L C 0.674 177.539 176.870 -0.008 0.000 0.999 276 L CA -0.194 54.643 54.840 -0.004 0.000 0.849 276 L CB 1.676 43.746 42.059 0.018 0.000 1.220 276 L HN 0.795 nan 8.230 nan 0.000 0.422 277 G N 1.500 110.283 108.800 -0.028 0.000 2.448 277 G HA2 0.350 4.290 3.960 -0.034 0.000 0.285 277 G HA3 0.350 4.290 3.960 -0.034 0.000 0.285 277 G C 0.599 175.482 174.900 -0.028 0.000 1.176 277 G CA -0.508 44.571 45.100 -0.034 0.000 0.852 277 G HN 0.678 nan 8.290 nan 0.000 0.530 278 R N -0.002 120.486 120.500 -0.019 0.000 2.148 278 R HA -0.092 4.227 4.340 -0.034 0.000 0.227 278 R C 2.410 178.692 176.300 -0.030 0.000 1.103 278 R CA 1.174 57.264 56.100 -0.016 0.000 0.983 278 R CB -0.014 30.279 30.300 -0.010 0.000 0.874 278 R HN 0.648 nan 8.270 nan 0.000 0.451 279 Q N 0.348 120.125 119.800 -0.038 0.000 2.364 279 Q HA -0.073 4.246 4.340 -0.034 0.000 0.207 279 Q C 2.042 177.997 176.000 -0.076 0.000 0.970 279 Q CA 0.805 56.579 55.803 -0.049 0.000 0.888 279 Q CB -0.012 28.700 28.738 -0.044 0.000 0.951 279 Q HN 0.146 nan 8.270 nan 0.000 0.469 280 V N 1.648 121.514 119.914 -0.079 0.000 2.231 280 V HA -0.254 3.846 4.120 -0.034 0.000 0.248 280 V C -0.694 175.333 176.094 -0.112 0.000 1.054 280 V CA 2.309 64.555 62.300 -0.090 0.000 1.015 280 V CB -1.521 30.270 31.823 -0.055 0.000 0.638 280 V HN 0.294 nan 8.190 nan 0.000 0.444 281 P HA -0.118 nan 4.420 nan 0.000 0.215 281 P C 1.637 178.860 177.300 -0.128 0.000 1.153 281 P CA 1.880 64.912 63.100 -0.114 0.000 0.853 281 P CB -0.335 31.319 31.700 -0.077 0.000 0.788 282 G N -0.570 108.172 108.800 -0.096 0.000 2.422 282 G HA2 -0.180 3.759 3.960 -0.034 0.000 0.218 282 G HA3 -0.180 3.759 3.960 -0.034 0.000 0.218 282 G C 1.445 176.285 174.900 -0.100 0.000 1.140 282 G CA 0.312 45.360 45.100 -0.086 0.000 0.775 282 G HN 0.224 nan 8.290 nan 0.000 0.545 283 L N -0.031 121.126 121.223 -0.110 0.000 2.201 283 L HA 0.082 4.402 4.340 -0.034 0.000 0.212 283 L C 2.659 179.431 176.870 -0.164 0.000 1.105 283 L CA 0.466 55.239 54.840 -0.112 0.000 0.775 283 L CB -0.165 41.830 42.059 -0.107 0.000 0.913 283 L HN 0.222 nan 8.230 nan 0.000 0.440 284 I N -0.879 119.542 120.570 -0.248 0.000 2.339 284 I HA -0.090 4.059 4.170 -0.034 0.000 0.245 284 I C 2.601 178.553 176.117 -0.275 0.000 1.096 284 I CA 1.113 62.173 61.300 -0.401 0.000 1.408 284 I CB -0.726 36.863 38.000 -0.685 0.000 1.092 284 I HN 0.203 nan 8.210 nan 0.000 0.423 285 G N 0.577 109.253 108.800 -0.207 0.000 2.422 285 G HA2 -0.225 3.714 3.960 -0.034 0.000 0.218 285 G HA3 -0.225 3.714 3.960 -0.034 0.000 0.218 285 G C 1.202 176.033 174.900 -0.115 0.000 1.146 285 G CA 0.856 45.865 45.100 -0.151 0.000 0.769 285 G HN 0.271 nan 8.290 nan 0.000 0.547 286 D N 0.299 120.639 120.400 -0.099 0.000 2.269 286 D HA -0.021 4.598 4.640 -0.034 0.000 0.208 286 D C 1.823 178.088 176.300 -0.059 0.000 0.963 286 D CA 0.627 54.587 54.000 -0.066 0.000 0.864 286 D CB 0.056 40.824 40.800 -0.053 0.000 0.936 286 D HN 0.301 nan 8.370 nan 0.000 0.505 287 N N -0.302 118.353 118.700 -0.075 0.000 2.257 287 N HA -0.014 4.706 4.740 -0.034 0.000 0.200 287 N C 2.038 177.526 175.510 -0.037 0.000 1.163 287 N CA 0.261 53.282 53.050 -0.048 0.000 0.891 287 N CB 1.200 39.663 38.487 -0.040 0.000 1.067 287 N HN 0.076 nan 8.380 nan 0.000 0.497 288 V N 0.808 120.686 119.914 -0.061 0.000 2.250 288 V HA -0.283 3.816 4.120 -0.034 0.000 0.250 288 V C 2.232 178.277 176.094 -0.082 0.000 1.060 288 V CA 2.060 64.350 62.300 -0.016 0.000 1.030 288 V CB -0.949 30.854 31.823 -0.033 0.000 0.643 288 V HN 0.226 nan 8.190 nan 0.000 0.445 289 E N 0.309 120.420 120.200 -0.150 0.000 2.085 289 E HA -0.254 4.076 4.350 -0.034 0.000 0.194 289 E C 2.456 179.065 176.600 0.015 0.000 0.994 289 E CA 1.575 57.878 56.400 -0.161 0.000 0.801 289 E CB -0.081 29.572 29.700 -0.078 0.000 0.743 289 E HN 0.634 nan 8.360 nan 0.000 0.453 290 R N -0.194 120.320 120.500 0.024 0.000 2.073 290 R HA -0.135 4.184 4.340 -0.034 0.000 0.234 290 R C 2.642 178.972 176.300 0.051 0.000 1.134 290 R CA 1.556 57.686 56.100 0.051 0.000 0.952 290 R CB -0.534 29.782 30.300 0.027 0.000 0.850 290 R HN 0.314 nan 8.270 nan 0.000 0.433 291 C N 0.888 120.207 119.300 0.031 0.000 2.418 291 C HA -0.126 4.313 4.460 -0.034 0.000 0.280 291 C C 2.647 177.667 174.990 0.050 0.000 1.223 291 C CA 0.731 59.767 59.018 0.031 0.000 1.736 291 C CB -1.052 26.721 27.740 0.055 0.000 2.056 291 C HN 0.449 nan 8.230 nan 0.000 0.459 292 L N 0.253 121.526 121.223 0.083 0.000 2.021 292 L HA -0.243 4.076 4.340 -0.034 0.000 0.215 292 L C 2.607 179.666 176.870 0.316 0.000 1.074 292 L CA 1.549 56.524 54.840 0.225 0.000 0.760 292 L CB -0.768 41.346 42.059 0.092 0.000 0.889 292 L HN 0.431 nan 8.230 nan 0.000 0.433 293 L N -0.511 120.893 121.223 0.301 0.000 1.989 293 L HA -0.280 4.039 4.340 -0.034 0.000 0.211 293 L C 2.341 179.293 176.870 0.138 0.000 1.071 293 L CA 1.459 56.464 54.840 0.275 0.000 0.749 293 L CB -0.650 41.552 42.059 0.239 0.000 0.890 293 L HN 0.312 nan 8.230 nan 0.000 0.431 294 D N -0.587 119.853 120.400 0.067 0.000 2.117 294 D HA -0.174 4.445 4.640 -0.034 0.000 0.197 294 D C 2.319 178.574 176.300 -0.075 0.000 0.987 294 D CA 1.261 55.262 54.000 0.001 0.000 0.829 294 D CB -0.066 40.725 40.800 -0.014 0.000 0.961 294 D HN 0.271 nan 8.370 nan 0.000 0.460 295 M N -1.007 118.498 119.600 -0.158 0.000 2.077 295 M HA -0.089 4.371 4.480 -0.034 0.000 0.261 295 M C 1.030 176.975 176.300 -0.591 0.000 1.070 295 M CA 1.418 56.436 55.300 -0.470 0.000 1.125 295 M CB -0.069 32.079 32.600 -0.753 0.000 1.339 295 M HN -0.035 nan 8.290 nan 0.000 0.409 296 F N -1.261 118.726 119.950 0.061 0.000 2.661 296 F HA 0.333 4.836 4.527 -0.040 0.000 0.306 296 F C 1.915 177.747 175.800 0.052 0.000 1.094 296 F CA -0.228 57.802 58.000 0.051 0.000 1.254 296 F CB -0.780 38.254 39.000 0.057 0.000 1.040 296 F HN 0.136 nan 8.300 nan 0.000 0.562 297 G N 3.349 112.253 108.800 0.173 0.000 2.863 297 G HA2 -0.353 3.587 3.960 -0.034 0.000 0.248 297 G HA3 -0.353 3.587 3.960 -0.034 0.000 0.248 297 G C -0.139 174.814 174.900 0.089 0.000 1.155 297 G CA 1.627 46.801 45.100 0.123 0.000 0.752 297 G HN 0.245 nan 8.290 nan 0.000 0.666 298 P HA -0.054 nan 4.420 nan 0.000 0.215 298 P C 2.135 179.460 177.300 0.043 0.000 1.157 298 P CA 1.373 64.499 63.100 0.043 0.000 0.868 298 P CB -0.346 31.374 31.700 0.033 0.000 0.788 299 L N -1.963 119.302 121.223 0.070 0.000 2.450 299 L HA -0.007 4.312 4.340 -0.034 0.000 0.224 299 L C 1.532 178.415 176.870 0.021 0.000 1.149 299 L CA 0.543 55.415 54.840 0.053 0.000 0.816 299 L CB -0.706 41.409 42.059 0.093 0.000 0.932 299 L HN 0.112 nan 8.230 nan 0.000 0.449 307 G N -1.405 107.319 108.800 -0.127 0.000 2.677 307 G HA2 0.445 4.384 3.960 -0.034 0.000 0.291 307 G HA3 0.445 4.384 3.960 -0.034 0.000 0.291 307 G C 0.033 174.873 174.900 -0.100 0.000 1.435 307 G CA -0.750 44.274 45.100 -0.126 0.000 0.826 307 G HN 0.086 nan 8.290 nan 0.000 0.491 308 W N -0.150 121.241 121.300 0.152 0.000 2.611 308 W HA 0.034 4.672 4.660 -0.036 0.000 0.251 308 W C 1.919 178.651 176.519 0.355 0.000 1.265 308 W CA 0.328 57.853 57.345 0.300 0.000 1.295 308 W CB 0.142 29.789 29.460 0.311 0.000 1.129 308 W HN 0.568 nan 8.180 nan 0.000 0.630 309 N N 0.348 119.264 118.700 0.360 0.000 2.521 309 N HA -0.103 4.617 4.740 -0.034 0.000 0.188 309 N C 0.613 176.279 175.510 0.261 0.000 1.146 309 N CA 0.980 54.202 53.050 0.286 0.000 0.893 309 N CB -0.152 38.432 38.487 0.162 0.000 0.975 309 N HN -0.050 nan 8.380 nan 0.000 0.451 310 D N -0.860 119.678 120.400 0.230 0.000 2.379 310 D HA 0.151 4.771 4.640 -0.034 0.000 0.208 310 D C 0.036 176.433 176.300 0.160 0.000 1.065 310 D CA 0.185 54.280 54.000 0.158 0.000 0.848 310 D CB 0.510 41.353 40.800 0.073 0.000 0.949 310 D HN 0.266 nan 8.370 nan 0.000 0.509 311 L N 0.225 121.569 121.223 0.202 0.000 2.400 311 L HA 0.447 4.766 4.340 -0.034 0.000 0.264 311 L C 0.057 176.929 176.870 0.003 0.000 1.061 311 L CA -1.367 53.438 54.840 -0.059 0.000 0.799 311 L CB 0.609 42.452 42.059 -0.359 0.000 1.240 311 L HN -0.141 nan 8.230 nan 0.000 0.461 312 F N -1.473 118.345 119.950 -0.220 0.000 2.440 312 F HA 0.704 5.208 4.527 -0.038 0.000 0.328 312 F C -1.269 174.257 175.800 -0.456 0.000 1.070 312 F CA -1.312 56.628 58.000 -0.100 0.000 1.011 312 F CB 0.666 39.651 39.000 -0.025 0.000 1.226 312 F HN 0.179 nan 8.300 nan 0.000 0.491 313 W N 1.370 122.831 121.300 0.268 0.000 2.839 313 W HA 0.740 5.380 4.660 -0.032 0.000 0.334 313 W C -1.127 175.468 176.519 0.127 0.000 1.064 313 W CA -1.308 56.112 57.345 0.125 0.000 1.236 313 W CB 2.146 31.651 29.460 0.075 0.000 1.405 313 W HN 0.824 nan 8.180 nan 0.000 0.478 314 A N 2.878 125.839 122.820 0.235 0.000 2.363 314 A HA 0.819 5.118 4.320 -0.034 0.000 0.296 314 A C -1.552 176.124 177.584 0.154 0.000 1.237 314 A CA -0.630 51.497 52.037 0.150 0.000 0.773 314 A CB 0.632 19.659 19.000 0.044 0.000 1.153 314 A HN 0.420 nan 8.150 nan 0.000 0.473 315 V N 2.342 122.359 119.914 0.172 0.000 2.656 315 V HA 0.289 4.388 4.120 -0.034 0.000 0.307 315 V C 0.018 176.193 176.094 0.135 0.000 1.051 315 V CA -0.757 61.638 62.300 0.158 0.000 0.893 315 V CB 1.662 33.608 31.823 0.207 0.000 0.999 315 V HN 1.012 nan 8.190 nan 0.000 0.426 316 H N 6.965 126.067 119.070 0.053 0.000 3.034 316 H HA 0.169 4.705 4.556 -0.033 0.000 0.324 316 H C -2.223 173.170 175.328 0.108 0.000 1.015 316 H CA -0.693 55.398 56.048 0.072 0.000 1.429 316 H CB 1.131 30.931 29.762 0.064 0.000 1.429 316 H HN 0.415 nan 8.280 nan 0.000 0.585 317 P HA 0.162 nan 4.420 nan 0.000 0.212 317 P C 0.872 177.923 177.300 -0.415 0.000 1.860 317 P CA -0.195 62.720 63.100 -0.309 0.000 1.135 317 P CB 0.803 32.393 31.700 -0.183 0.000 1.801 318 G N 3.147 111.798 108.800 -0.248 0.000 2.649 318 G HA2 -0.228 3.712 3.960 -0.034 0.000 0.220 318 G HA3 -0.228 3.712 3.960 -0.034 0.000 0.220 318 G C 0.551 175.357 174.900 -0.156 0.000 1.189 318 G CA 1.273 46.318 45.100 -0.092 0.000 0.777 318 G HN 0.657 nan 8.290 nan 0.000 0.602 319 S N -3.490 112.144 115.700 -0.109 0.000 2.636 319 S HA 0.500 4.949 4.470 -0.034 0.000 0.268 319 S C 0.737 175.291 174.600 -0.078 0.000 1.159 319 S CA 0.617 58.756 58.200 -0.102 0.000 0.815 319 S CB 0.995 64.153 63.200 -0.072 0.000 1.130 319 S HN 0.400 nan 8.310 nan 0.000 0.471 320 S N 0.334 115.992 115.700 -0.070 0.000 2.370 320 S HA -0.113 4.337 4.470 -0.034 0.000 0.226 320 S C 1.662 176.231 174.600 -0.052 0.000 1.033 320 S CA 2.461 60.626 58.200 -0.057 0.000 1.011 320 S CB -1.238 61.931 63.200 -0.053 0.000 0.852 320 S HN 0.789 nan 8.310 nan 0.000 0.457 321 T N 2.263 116.787 114.554 -0.050 0.000 2.746 321 T HA 0.046 4.375 4.350 -0.034 0.000 0.267 321 T C 1.710 176.373 174.700 -0.061 0.000 1.039 321 T CA 1.495 63.565 62.100 -0.050 0.000 1.142 321 T CB -0.346 68.496 68.868 -0.043 0.000 0.866 321 T HN 0.424 nan 8.240 nan 0.000 0.444 322 I N 0.778 121.311 120.570 -0.062 0.000 2.286 322 I HA -0.150 4.000 4.170 -0.034 0.000 0.248 322 I C 2.476 178.555 176.117 -0.064 0.000 1.115 322 I CA 0.934 62.188 61.300 -0.075 0.000 1.392 322 I CB -0.314 37.654 38.000 -0.054 0.000 1.065 322 I HN 0.229 nan 8.210 nan 0.000 0.418 323 M N -0.075 119.496 119.600 -0.048 0.000 2.159 323 M HA -0.187 4.273 4.480 -0.034 0.000 0.263 323 M C 1.779 178.039 176.300 -0.065 0.000 1.063 323 M CA 1.623 56.897 55.300 -0.044 0.000 1.110 323 M CB -1.049 31.528 32.600 -0.038 0.000 1.374 323 M HN 0.235 nan 8.290 nan 0.000 0.411 324 D N 0.137 120.498 120.400 -0.064 0.000 2.084 324 D HA -0.156 4.464 4.640 -0.034 0.000 0.194 324 D C 2.149 178.400 176.300 -0.082 0.000 0.990 324 D CA 1.041 55.001 54.000 -0.066 0.000 0.826 324 D CB -0.303 40.464 40.800 -0.055 0.000 0.971 324 D HN 0.340 nan 8.370 nan 0.000 0.453 325 Q N 0.544 120.290 119.800 -0.089 0.000 2.077 325 Q HA -0.116 4.203 4.340 -0.034 0.000 0.206 325 Q C 2.537 178.460 176.000 -0.129 0.000 0.989 325 Q CA 0.788 56.527 55.803 -0.107 0.000 0.853 325 Q CB -0.537 28.125 28.738 -0.127 0.000 0.907 325 Q HN 0.225 nan 8.270 nan 0.000 0.418 326 V N 1.503 121.337 119.914 -0.134 0.000 2.427 326 V HA -0.217 3.883 4.120 -0.034 0.000 0.248 326 V C 1.766 177.729 176.094 -0.219 0.000 1.051 326 V CA 1.827 64.026 62.300 -0.169 0.000 1.048 326 V CB -0.492 31.259 31.823 -0.120 0.000 0.666 326 V HN 0.223 nan 8.190 nan 0.000 0.456 327 D N 0.474 120.769 120.400 -0.174 0.000 2.097 327 D HA -0.115 4.504 4.640 -0.034 0.000 0.195 327 D C 2.212 178.434 176.300 -0.130 0.000 0.989 327 D CA 1.723 55.624 54.000 -0.166 0.000 0.827 327 D CB -0.257 40.476 40.800 -0.112 0.000 0.966 327 D HN 0.429 nan 8.370 nan 0.000 0.456 328 A N 0.556 123.314 122.820 -0.103 0.000 1.929 328 A HA 0.081 4.381 4.320 -0.034 0.000 0.216 328 A C 2.225 179.763 177.584 -0.077 0.000 1.176 328 A CA 1.842 53.834 52.037 -0.075 0.000 0.628 328 A CB -0.474 18.488 19.000 -0.063 0.000 0.816 328 A HN 0.223 nan 8.150 nan 0.000 0.444 329 A N -0.572 122.181 122.820 -0.111 0.000 1.968 329 A HA 0.168 4.468 4.320 -0.034 0.000 0.217 329 A C 1.929 179.434 177.584 -0.132 0.000 1.169 329 A CA 1.213 53.182 52.037 -0.113 0.000 0.638 329 A CB -0.331 18.584 19.000 -0.141 0.000 0.812 329 A HN 0.436 nan 8.150 nan 0.000 0.446 330 L N -1.499 119.602 121.223 -0.204 0.000 2.585 330 L HA 0.253 4.573 4.340 -0.034 0.000 0.226 330 L C 1.371 178.248 176.870 0.012 0.000 1.113 330 L CA 0.454 55.160 54.840 -0.223 0.000 0.876 330 L CB -0.115 41.623 42.059 -0.534 0.000 1.072 330 L HN 0.534 nan 8.230 nan 0.000 0.468 331 G N 1.743 110.525 108.800 -0.030 0.000 2.289 331 G HA2 -0.251 3.689 3.960 -0.034 0.000 0.280 331 G HA3 -0.251 3.689 3.960 -0.034 0.000 0.280 331 G C -0.134 174.768 174.900 0.005 0.000 1.089 331 G CA -0.171 44.938 45.100 0.016 0.000 0.939 331 G HN 0.203 nan 8.290 nan 0.000 0.499 332 L N 0.506 121.682 121.223 -0.079 0.000 2.312 332 L HA 0.480 4.799 4.340 -0.034 0.000 0.281 332 L C 1.215 178.057 176.870 -0.047 0.000 1.070 332 L CA -0.996 53.789 54.840 -0.091 0.000 0.805 332 L CB 1.110 43.007 42.059 -0.269 0.000 1.174 332 L HN 0.564 nan 8.230 nan 0.000 0.434 333 E N 3.930 124.129 120.200 -0.003 0.000 2.392 333 E HA 0.118 4.447 4.350 -0.034 0.000 0.259 333 E C -2.098 174.502 176.600 0.001 0.000 1.108 333 E CA -1.469 54.936 56.400 0.008 0.000 0.916 333 E CB 0.883 30.602 29.700 0.031 0.000 0.989 333 E HN 0.339 nan 8.360 nan 0.000 0.432 334 P HA -0.134 nan 4.420 nan 0.000 0.217 334 P C 1.240 178.554 177.300 0.024 0.000 1.148 334 P CA 2.003 65.105 63.100 0.004 0.000 0.828 334 P CB -0.076 31.626 31.700 0.004 0.000 0.783 335 G N -0.096 108.730 108.800 0.043 0.000 2.422 335 G HA2 -0.214 3.726 3.960 -0.034 0.000 0.218 335 G HA3 -0.214 3.726 3.960 -0.034 0.000 0.218 335 G C 1.518 176.479 174.900 0.102 0.000 1.140 335 G CA 0.538 45.679 45.100 0.069 0.000 0.775 335 G HN 0.164 nan 8.290 nan 0.000 0.545 336 K N 0.326 120.791 120.400 0.108 0.000 2.074 336 K HA 0.010 4.309 4.320 -0.034 0.000 0.209 336 K C 2.064 178.766 176.600 0.169 0.000 1.048 336 K CA 0.765 57.157 56.287 0.175 0.000 0.926 336 K CB -0.505 32.055 32.500 0.100 0.000 0.713 336 K HN 0.368 nan 8.250 nan 0.000 0.444 337 L N 0.118 121.384 121.223 0.072 0.000 2.700 337 L HA 0.189 4.509 4.340 -0.034 0.000 0.234 337 L C 1.928 178.841 176.870 0.071 0.000 1.156 337 L CA -0.153 54.731 54.840 0.073 0.000 0.946 337 L CB -0.085 41.975 42.059 0.002 0.000 1.216 337 L HN -0.020 nan 8.230 nan 0.000 0.493 338 A N 0.951 123.817 122.820 0.076 0.000 1.883 338 A HA -0.218 4.082 4.320 -0.034 0.000 0.217 338 A C 2.576 180.206 177.584 0.076 0.000 1.186 338 A CA 1.953 54.028 52.037 0.064 0.000 0.624 338 A CB -0.446 18.593 19.000 0.066 0.000 0.822 338 A HN 0.401 nan 8.150 nan 0.000 0.444 339 A N -0.633 122.247 122.820 0.100 0.000 1.908 339 A HA -0.098 4.201 4.320 -0.034 0.000 0.218 339 A C 2.448 180.097 177.584 0.108 0.000 1.181 339 A CA 2.233 54.335 52.037 0.108 0.000 0.627 339 A CB -0.843 18.227 19.000 0.118 0.000 0.818 339 A HN 0.479 nan 8.150 nan 0.000 0.445 340 S N -0.587 115.174 115.700 0.103 0.000 2.371 340 S HA -0.108 4.342 4.470 -0.034 0.000 0.224 340 S C 2.033 176.661 174.600 0.047 0.000 1.029 340 S CA 1.236 59.486 58.200 0.083 0.000 0.978 340 S CB -0.275 62.977 63.200 0.086 0.000 0.833 340 S HN 0.621 nan 8.310 nan 0.000 0.466 341 R N 0.837 121.359 120.500 0.035 0.000 2.115 341 R HA 0.113 4.433 4.340 -0.034 0.000 0.230 341 R C 2.472 178.781 176.300 0.016 0.000 1.111 341 R CA 0.553 56.658 56.100 0.008 0.000 0.976 341 R CB -0.164 30.137 30.300 0.002 0.000 0.870 341 R HN 0.119 nan 8.270 nan 0.000 0.445 342 R N 0.886 121.412 120.500 0.044 0.000 2.096 342 R HA -0.087 4.232 4.340 -0.034 0.000 0.235 342 R C 1.971 178.318 176.300 0.077 0.000 1.127 342 R CA 1.232 57.363 56.100 0.052 0.000 0.968 342 R CB -0.332 30.015 30.300 0.078 0.000 0.861 342 R HN 0.114 nan 8.270 nan 0.000 0.440 343 V N 1.281 121.274 119.914 0.131 0.000 2.379 343 V HA -0.217 3.882 4.120 -0.034 0.000 0.245 343 V C 2.382 178.552 176.094 0.127 0.000 1.044 343 V CA 1.286 63.727 62.300 0.235 0.000 1.036 343 V CB -0.520 31.431 31.823 0.214 0.000 0.664 343 V HN 0.223 nan 8.190 nan 0.000 0.453 344 L N -0.009 121.225 121.223 0.018 0.000 2.083 344 L HA -0.121 4.198 4.340 -0.034 0.000 0.209 344 L C 2.537 179.371 176.870 -0.059 0.000 1.083 344 L CA 2.376 57.186 54.840 -0.051 0.000 0.752 344 L CB -0.693 41.315 42.059 -0.086 0.000 0.899 344 L HN 0.296 nan 8.230 nan 0.000 0.433 345 S N -0.951 114.717 115.700 -0.053 0.000 2.355 345 S HA -0.152 4.297 4.470 -0.034 0.000 0.222 345 S C 1.608 176.124 174.600 -0.141 0.000 1.031 345 S CA 1.473 59.624 58.200 -0.081 0.000 0.993 345 S CB -0.336 62.828 63.200 -0.059 0.000 0.859 345 S HN 0.611 nan 8.310 nan 0.000 0.453 346 D N -1.030 119.247 120.400 -0.204 0.000 2.333 346 D HA 0.090 4.710 4.640 -0.034 0.000 0.208 346 D C 0.585 176.467 176.300 -0.696 0.000 0.984 346 D CA 0.780 54.498 54.000 -0.470 0.000 0.873 346 D CB 0.150 40.562 40.800 -0.648 0.000 0.935 346 D HN 0.550 nan 8.370 nan 0.000 0.521 347 Y N -0.519 119.774 120.300 -0.012 0.000 2.476 347 Y HA 0.350 4.882 4.550 -0.029 0.000 0.274 347 Y C 1.482 177.333 175.900 -0.082 0.000 1.120 347 Y CA 0.191 58.278 58.100 -0.023 0.000 1.214 347 Y CB 0.777 39.109 38.460 -0.213 0.000 1.285 347 Y HN -0.031 nan 8.280 nan 0.000 0.520 348 G N 1.335 110.138 108.800 0.006 0.000 2.627 348 G HA2 -0.257 3.683 3.960 -0.034 0.000 0.214 348 G HA3 -0.257 3.683 3.960 -0.034 0.000 0.214 348 G C -0.924 173.901 174.900 -0.125 0.000 1.331 348 G CA -0.509 44.549 45.100 -0.069 0.000 0.891 348 G HN 0.230 nan 8.290 nan 0.000 0.539 349 N N 0.483 119.028 118.700 -0.258 0.000 2.406 349 N HA 0.443 5.163 4.740 -0.034 0.000 0.251 349 N C 0.811 176.242 175.510 -0.131 0.000 1.069 349 N CA -0.179 52.647 53.050 -0.373 0.000 0.947 349 N CB 0.365 38.300 38.487 -0.922 0.000 1.111 349 N HN 0.482 nan 8.380 nan 0.000 0.497 350 M N 2.446 122.053 119.600 0.012 0.000 2.866 350 M HA 0.087 4.546 4.480 -0.034 0.000 0.319 350 M C 0.898 177.334 176.300 0.227 0.000 1.244 350 M CA -0.273 55.106 55.300 0.133 0.000 0.974 350 M CB -0.226 32.364 32.600 -0.015 0.000 1.291 350 M HN 0.668 nan 8.290 nan 0.000 0.513 351 S N 0.968 116.866 115.700 0.330 0.000 3.938 351 S HA -0.266 4.183 4.470 -0.034 0.000 0.624 351 S C 1.446 176.141 174.600 0.157 0.000 2.186 351 S CA 1.684 60.061 58.200 0.296 0.000 4.144 351 S CB -1.362 62.002 63.200 0.274 0.000 0.230 351 S HN 0.742 nan 8.310 nan 0.000 0.755 352 G N 0.770 109.606 108.800 0.061 0.000 2.501 352 G HA2 0.172 4.111 3.960 -0.034 0.000 0.220 352 G HA3 0.172 4.111 3.960 -0.034 0.000 0.220 352 G C 1.557 176.512 174.900 0.092 0.000 1.114 352 G CA 1.288 46.398 45.100 0.017 0.000 0.757 352 G HN 1.332 nan 8.290 nan 0.000 0.559 353 A N 0.202 123.109 122.820 0.144 0.000 2.021 353 A HA 0.147 4.446 4.320 -0.034 0.000 0.216 353 A C 2.480 180.238 177.584 0.290 0.000 1.163 353 A CA 1.886 54.047 52.037 0.207 0.000 0.676 353 A CB -0.503 18.648 19.000 0.252 0.000 0.818 353 A HN 0.255 nan 8.150 nan 0.000 0.453 354 T N -0.279 114.410 114.554 0.224 0.000 2.665 354 T HA -0.203 4.127 4.350 -0.034 0.000 0.268 354 T C 1.773 176.610 174.700 0.228 0.000 1.035 354 T CA 1.688 63.895 62.100 0.177 0.000 1.151 354 T CB -0.768 68.176 68.868 0.127 0.000 0.862 354 T HN 0.195 nan 8.240 nan 0.000 0.438 355 V N 1.003 121.065 119.914 0.247 0.000 2.720 355 V HA -0.079 4.020 4.120 -0.034 0.000 0.256 355 V C 2.049 178.226 176.094 0.139 0.000 1.082 355 V CA 1.303 63.712 62.300 0.180 0.000 1.101 355 V CB -0.592 31.325 31.823 0.157 0.000 0.693 355 V HN 0.529 nan 8.190 nan 0.000 0.479 356 I N -1.625 119.038 120.570 0.155 0.000 2.584 356 I HA -0.096 4.053 4.170 -0.034 0.000 0.255 356 I C 2.108 178.270 176.117 0.075 0.000 1.145 356 I CA 1.090 62.440 61.300 0.082 0.000 1.462 356 I CB -0.337 37.683 38.000 0.034 0.000 1.102 356 I HN 0.249 nan 8.210 nan 0.000 0.433 357 F N 1.335 121.267 119.950 -0.030 0.000 2.134 357 F HA -0.199 4.308 4.527 -0.033 0.000 0.299 357 F C 2.655 178.457 175.800 0.003 0.000 1.097 357 F CA 1.510 59.473 58.000 -0.063 0.000 1.264 357 F CB -0.728 38.182 39.000 -0.150 0.000 1.001 357 F HN -0.007 nan 8.300 nan 0.000 0.479 358 A N -0.105 122.854 122.820 0.232 0.000 1.883 358 A HA -0.218 4.081 4.320 -0.034 0.000 0.217 358 A C 2.125 179.771 177.584 0.104 0.000 1.186 358 A CA 1.820 53.952 52.037 0.157 0.000 0.624 358 A CB -1.210 17.869 19.000 0.132 0.000 0.822 358 A HN 0.359 nan 8.150 nan 0.000 0.444 359 L N 0.114 121.375 121.223 0.063 0.000 2.083 359 L HA -0.169 4.151 4.340 -0.034 0.000 0.209 359 L C 1.910 178.814 176.870 0.057 0.000 1.083 359 L CA 2.750 57.589 54.840 -0.002 0.000 0.752 359 L CB -0.620 41.405 42.059 -0.056 0.000 0.899 359 L HN 0.465 nan 8.230 nan 0.000 0.433 360 D N -0.969 119.463 120.400 0.055 0.000 2.144 360 D HA -0.229 4.391 4.640 -0.034 0.000 0.200 360 D C 2.087 178.431 176.300 0.072 0.000 0.978 360 D CA 1.068 55.095 54.000 0.045 0.000 0.833 360 D CB 0.115 40.886 40.800 -0.048 0.000 0.961 360 D HN 0.440 nan 8.370 nan 0.000 0.470 361 E N -0.391 119.870 120.200 0.100 0.000 2.072 361 E HA -0.113 4.217 4.350 -0.034 0.000 0.191 361 E C 1.969 178.626 176.600 0.096 0.000 0.985 361 E CA 0.555 57.025 56.400 0.117 0.000 0.801 361 E CB -0.522 29.271 29.700 0.156 0.000 0.750 361 E HN 0.272 nan 8.360 nan 0.000 0.452 362 L N 1.156 122.433 121.223 0.090 0.000 2.012 362 L HA -0.135 4.184 4.340 -0.034 0.000 0.210 362 L C 2.468 179.383 176.870 0.074 0.000 1.073 362 L CA 1.873 56.757 54.840 0.073 0.000 0.748 362 L CB -0.654 41.426 42.059 0.036 0.000 0.891 362 L HN 0.122 nan 8.230 nan 0.000 0.431 363 R N -0.371 120.200 120.500 0.118 0.000 2.117 363 R HA -0.166 4.154 4.340 -0.034 0.000 0.243 363 R C 2.162 178.481 176.300 0.032 0.000 1.143 363 R CA 1.395 57.559 56.100 0.106 0.000 0.968 363 R CB -0.216 30.160 30.300 0.127 0.000 0.863 363 R HN 0.356 nan 8.270 nan 0.000 0.444 364 R N 0.398 120.924 120.500 0.043 0.000 2.119 364 R HA -0.002 4.318 4.340 -0.034 0.000 0.222 364 R C 1.866 178.187 176.300 0.035 0.000 1.088 364 R CA 0.849 56.968 56.100 0.032 0.000 0.984 364 R CB -0.246 30.081 30.300 0.045 0.000 0.884 364 R HN 0.449 nan 8.270 nan 0.000 0.447 365 Q N 0.382 120.212 119.800 0.049 0.000 2.387 365 Q HA 0.041 4.360 4.340 -0.034 0.000 0.211 365 Q C 1.195 177.224 176.000 0.048 0.000 0.952 365 Q CA 0.259 56.094 55.803 0.054 0.000 0.957 365 Q CB 0.220 29.000 28.738 0.069 0.000 1.002 365 Q HN 0.135 nan 8.270 nan 0.000 0.502 366 R N -0.094 120.421 120.500 0.024 0.000 2.549 366 R HA 0.109 4.428 4.340 -0.034 0.000 0.344 366 R C -0.396 175.889 176.300 -0.024 0.000 0.979 366 R CA -0.050 56.052 56.100 0.003 0.000 1.140 366 R CB 0.569 30.847 30.300 -0.036 0.000 1.377 366 R HN -0.131 nan 8.270 nan 0.000 0.541 376 P HA -0.043 nan 4.420 nan 0.000 0.263 376 P C 0.672 178.182 177.300 0.350 0.000 1.168 376 P CA 1.030 64.332 63.100 0.337 0.000 0.759 376 P CB 0.458 32.375 31.700 0.361 0.000 0.782 377 E N 2.548 122.905 120.200 0.262 0.000 2.250 377 E HA 0.030 4.359 4.350 -0.034 0.000 0.192 377 E C 0.318 177.134 176.600 0.359 0.000 0.986 377 E CA 0.343 56.891 56.400 0.247 0.000 0.849 377 E CB 0.081 29.908 29.700 0.212 0.000 0.797 377 E HN 0.390 nan 8.360 nan 0.000 0.482 378 L N 1.006 122.341 121.223 0.185 0.000 2.334 378 L HA 0.604 4.924 4.340 -0.034 0.000 0.275 378 L C 0.249 176.707 176.870 -0.687 0.000 1.036 378 L CA -0.610 54.169 54.840 -0.103 0.000 0.807 378 L CB 1.806 43.787 42.059 -0.131 0.000 1.231 378 L HN 0.115 nan 8.230 nan 0.000 0.438 379 G N 1.394 109.389 108.800 -1.342 0.000 2.645 379 G HA2 0.612 4.551 3.960 -0.034 0.000 0.292 379 G HA3 0.612 4.551 3.960 -0.034 0.000 0.292 379 G C -1.985 172.106 174.900 -1.348 0.000 1.415 379 G CA -0.369 43.441 45.100 -2.150 0.000 0.785 379 G HN 0.274 nan 8.290 nan 0.000 0.483 380 V N 0.848 119.995 119.914 -1.279 0.000 2.531 380 V HA 0.575 4.675 4.120 -0.034 0.000 0.301 380 V C -0.270 175.559 176.094 -0.443 0.000 1.034 380 V CA -0.492 61.310 62.300 -0.830 0.000 0.865 380 V CB 1.701 32.985 31.823 -0.898 0.000 0.995 380 V HN 0.792 nan 8.190 nan 0.000 0.424 381 M N 6.667 126.107 119.600 -0.267 0.000 2.088 381 M HA 0.675 5.134 4.480 -0.034 0.000 0.346 381 M C -0.880 175.384 176.300 -0.061 0.000 1.111 381 M CA -0.231 55.002 55.300 -0.113 0.000 1.017 381 M CB 0.842 33.381 32.600 -0.102 0.000 1.568 381 M HN 0.806 nan 8.290 nan 0.000 0.445 382 M N 5.004 124.587 119.600 -0.029 0.000 2.446 382 M HA 0.842 5.301 4.480 -0.034 0.000 0.294 382 M C -2.098 174.072 176.300 -0.218 0.000 1.158 382 M CA -0.307 54.925 55.300 -0.114 0.000 0.899 382 M CB 2.205 34.755 32.600 -0.082 0.000 1.687 382 M HN 0.742 nan 8.290 nan 0.000 0.455 383 A N 3.270 125.875 122.820 -0.358 0.000 2.515 383 A HA 0.877 5.177 4.320 -0.034 0.000 0.298 383 A C -2.031 175.248 177.584 -0.508 0.000 1.059 383 A CA -0.510 51.332 52.037 -0.325 0.000 0.698 383 A CB 1.218 20.175 19.000 -0.072 0.000 1.289 383 A HN 0.761 nan 8.150 nan 0.000 0.404 384 F N 0.352 120.364 119.950 0.103 0.000 2.556 384 F HA 0.877 5.387 4.527 -0.028 0.000 0.327 384 F C 0.914 176.794 175.800 0.133 0.000 1.059 384 F CA 0.076 58.133 58.000 0.094 0.000 0.953 384 F CB 2.588 41.642 39.000 0.089 0.000 1.227 384 F HN 0.969 nan 8.300 nan 0.000 0.478 385 G N 0.095 109.136 108.800 0.402 0.000 2.495 385 G HA2 0.531 4.470 3.960 -0.034 0.000 0.294 385 G HA3 0.531 4.470 3.960 -0.034 0.000 0.294 385 G C -3.381 171.718 174.900 0.333 0.000 1.397 385 G CA -1.471 43.890 45.100 0.435 0.000 0.790 385 G HN 0.257 nan 8.290 nan 0.000 0.486 386 P HA 0.275 nan 4.420 nan 0.000 0.264 386 P C 0.900 178.291 177.300 0.152 0.000 1.173 386 P CA 2.002 65.209 63.100 0.179 0.000 0.761 386 P CB 0.975 32.771 31.700 0.159 0.000 0.794 387 G N 1.573 110.411 108.800 0.064 0.000 4.278 387 G HA2 -0.100 3.840 3.960 -0.034 0.000 0.160 387 G HA3 -0.100 3.840 3.960 -0.034 0.000 0.160 387 G C -0.187 174.716 174.900 0.005 0.000 2.002 387 G CA -0.426 44.685 45.100 0.018 0.000 1.013 387 G HN 0.429 nan 8.290 nan 0.000 0.315 388 M N 2.293 121.891 119.600 -0.004 0.000 2.233 388 M HA 0.490 4.950 4.480 -0.034 0.000 0.350 388 M C -0.390 175.901 176.300 -0.015 0.000 1.176 388 M CA 0.492 55.797 55.300 0.008 0.000 1.150 388 M CB 1.323 33.924 32.600 0.002 0.000 1.530 388 M HN 0.246 nan 8.290 nan 0.000 0.459 389 T N 2.466 116.999 114.554 -0.035 0.000 2.823 389 T HA 0.542 4.871 4.350 -0.034 0.000 0.279 389 T C -0.563 174.093 174.700 -0.074 0.000 0.998 389 T CA -0.654 61.330 62.100 -0.192 0.000 0.994 389 T CB 1.411 69.883 68.868 -0.659 0.000 0.960 389 T HN 0.404 nan 8.240 nan 0.000 0.448 390 V N 3.490 123.352 119.914 -0.086 0.000 2.378 390 V HA 0.420 4.520 4.120 -0.034 0.000 0.288 390 V C -0.390 175.609 176.094 -0.160 0.000 1.016 390 V CA -0.800 61.473 62.300 -0.045 0.000 0.840 390 V CB 1.564 33.437 31.823 0.083 0.000 0.994 390 V HN 0.859 nan 8.190 nan 0.000 0.431 391 D N 3.777 124.068 120.400 -0.181 0.000 2.425 391 D HA 0.748 5.368 4.640 -0.034 0.000 0.240 391 D C -0.565 175.697 176.300 -0.064 0.000 1.080 391 D CA 0.066 53.998 54.000 -0.114 0.000 0.836 391 D CB 2.251 43.019 40.800 -0.053 0.000 1.125 391 D HN 0.728 nan 8.370 nan 0.000 0.525 392 A N 3.451 126.283 122.820 0.020 0.000 2.594 392 A HA 0.792 5.092 4.320 -0.034 0.000 0.291 392 A C -1.196 176.567 177.584 0.298 0.000 1.105 392 A CA -0.671 51.435 52.037 0.115 0.000 0.694 392 A CB 1.688 20.785 19.000 0.161 0.000 1.291 392 A HN 0.552 nan 8.150 nan 0.000 0.410 393 M N 0.654 120.344 119.600 0.150 0.000 2.518 393 M HA 0.479 4.938 4.480 -0.034 0.000 0.300 393 M C -1.310 174.792 176.300 -0.329 0.000 1.175 393 M CA -0.712 54.634 55.300 0.077 0.000 0.890 393 M CB 2.165 34.773 32.600 0.014 0.000 1.710 393 M HN 0.556 nan 8.290 nan 0.000 0.453 394 L N 3.403 124.301 121.223 -0.542 0.000 2.265 394 L HA 0.603 4.923 4.340 -0.034 0.000 0.288 394 L C -1.374 175.303 176.870 -0.320 0.000 1.058 394 L CA 0.028 54.467 54.840 -0.668 0.000 0.809 394 L CB 0.530 42.128 42.059 -0.769 0.000 1.179 394 L HN 0.594 nan 8.230 nan 0.000 0.429 395 L N 4.159 125.185 121.223 -0.329 0.000 2.322 395 L HA 0.472 4.792 4.340 -0.034 0.000 0.269 395 L C -1.030 175.889 176.870 0.081 0.000 1.012 395 L CA -1.034 53.759 54.840 -0.078 0.000 0.815 395 L CB 1.692 43.737 42.059 -0.024 0.000 1.295 395 L HN 0.613 nan 8.230 nan 0.000 0.438 396 H N 1.390 120.563 119.070 0.172 0.000 2.708 396 H HA 0.587 5.121 4.556 -0.037 0.000 0.320 396 H C -0.653 174.882 175.328 0.346 0.000 0.991 396 H CA -0.577 55.597 56.048 0.211 0.000 1.243 396 H CB 1.456 31.272 29.762 0.089 0.000 1.446 396 H HN 0.673 nan 8.280 nan 0.000 0.502 397 A N 4.572 127.404 122.820 0.020 0.000 2.409 397 A HA 0.432 4.732 4.320 -0.034 0.000 0.267 397 A C 0.733 178.000 177.584 -0.529 0.000 1.127 397 A CA 0.168 52.134 52.037 -0.118 0.000 0.795 397 A CB -0.317 18.619 19.000 -0.107 0.000 1.061 397 A HN 0.886 nan 8.150 nan 0.000 0.502 398 T N 0.674 114.954 114.554 -0.457 0.000 2.849 398 T HA 0.562 4.892 4.350 -0.034 0.000 0.276 398 T C 0.779 175.302 174.700 -0.296 0.000 0.971 398 T CA -0.104 61.791 62.100 -0.341 0.000 0.949 398 T CB 0.464 69.196 68.868 -0.227 0.000 1.093 398 T HN 0.537 nan 8.240 nan 0.000 0.545 399 S N 0.000 115.575 115.700 -0.208 0.000 2.498 399 S HA 0.000 4.450 4.470 -0.034 0.000 0.327 399 S CA 0.000 58.083 58.200 -0.195 0.000 1.107 399 S CB 0.000 63.119 63.200 -0.134 0.000 0.593 399 S HN 0.000 nan 8.310 nan 0.000 0.517