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 3idz_1_C DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFQGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.289 176.300 -0.019 0.000 1.140 1 M CA 0.000 55.292 55.300 -0.013 0.000 0.988 1 M CB 0.000 32.595 32.600 -0.008 0.000 1.302 2 R N 3.253 123.737 120.500 -0.026 0.000 2.744 2 R HA 0.764 5.103 4.340 -0.002 0.000 0.279 2 R C -1.517 174.751 176.300 -0.053 0.000 0.977 2 R CA -0.993 55.085 56.100 -0.038 0.000 0.906 2 R CB 2.859 33.137 30.300 -0.037 0.000 1.197 2 R HN 0.660 nan 8.270 nan 0.000 0.463 3 I N 2.058 122.586 120.570 -0.070 0.000 2.410 3 I HA 0.237 4.406 4.170 -0.002 0.000 0.286 3 I C -1.203 174.832 176.117 -0.137 0.000 1.009 3 I CA -0.622 60.621 61.300 -0.095 0.000 1.111 3 I CB 1.856 39.797 38.000 -0.099 0.000 1.262 3 I HN 0.306 nan 8.210 nan 0.000 0.443 4 V N 10.122 129.933 119.914 -0.172 0.000 2.333 4 V HA 0.433 4.552 4.120 -0.002 0.000 0.274 4 V C -2.227 173.592 176.094 -0.459 0.000 1.028 4 V CA -1.648 60.449 62.300 -0.337 0.000 0.851 4 V CB 0.923 32.526 31.823 -0.366 0.000 1.000 4 V HN 0.634 nan 8.190 nan 0.000 0.456 5 P HA 0.238 nan 4.420 nan 0.000 0.270 5 P C -0.471 176.454 177.300 -0.625 0.000 1.242 5 P CA 0.122 63.106 63.100 -0.192 0.000 0.768 5 P CB 0.136 31.809 31.700 -0.044 0.000 0.820 6 F N 3.016 122.848 119.950 -0.197 0.000 2.850 6 F HA 0.548 5.074 4.527 -0.002 0.000 0.329 6 F C 1.134 177.025 175.800 0.152 0.000 1.182 6 F CA -0.004 57.844 58.000 -0.254 0.000 1.270 6 F CB 0.589 39.598 39.000 0.015 0.000 0.979 6 F HN 0.389 nan 8.300 nan 0.000 0.506 7 G N -1.475 107.486 108.800 0.269 0.000 2.328 7 G HA2 0.477 4.436 3.960 -0.002 0.000 0.295 7 G HA3 0.477 4.436 3.960 -0.002 0.000 0.295 7 G C 0.093 175.090 174.900 0.161 0.000 1.413 7 G CA -0.079 45.165 45.100 0.241 0.000 0.817 7 G HN 0.575 nan 8.290 nan 0.000 0.546 8 A N -1.956 120.946 122.820 0.137 0.000 2.765 8 A HA 0.182 4.501 4.320 -0.002 0.000 0.286 8 A C 1.268 178.975 177.584 0.205 0.000 1.457 8 A CA 2.044 54.165 52.037 0.139 0.000 0.899 8 A CB -1.596 17.503 19.000 0.164 0.000 0.983 8 A HN 2.602 nan 8.150 nan 0.000 0.584 9 A N -0.768 122.204 122.820 0.253 0.000 2.354 9 A HA 0.588 4.907 4.320 -0.002 0.000 0.281 9 A C 1.430 179.103 177.584 0.149 0.000 1.174 9 A CA 0.402 52.568 52.037 0.215 0.000 0.828 9 A CB 0.188 19.355 19.000 0.279 0.000 1.099 9 A HN 1.150 nan 8.150 nan 0.000 0.516 10 R N -0.225 120.337 120.500 0.104 0.000 4.021 10 R HA -0.238 4.101 4.340 -0.002 0.000 0.448 10 R C 0.382 176.705 176.300 0.039 0.000 0.916 10 R CA 2.404 58.541 56.100 0.062 0.000 1.618 10 R CB -2.028 28.303 30.300 0.052 0.000 2.271 10 R HN 1.026 nan 8.270 nan 0.000 0.507 11 E N -0.471 119.759 120.200 0.050 0.000 2.586 11 E HA 0.525 4.874 4.350 -0.002 0.000 0.232 11 E C 1.112 177.680 176.600 -0.055 0.000 0.854 11 E CA -0.249 56.156 56.400 0.008 0.000 0.938 11 E CB 0.511 30.234 29.700 0.038 0.000 1.518 11 E HN -0.052 nan 8.360 nan 0.000 0.400 12 V N -2.839 116.998 119.914 -0.129 0.000 3.612 12 V HA 0.210 4.329 4.120 -0.002 0.000 0.268 12 V C 0.500 176.359 176.094 -0.391 0.000 1.365 12 V CA 0.913 62.978 62.300 -0.393 0.000 1.044 12 V CB 0.091 31.659 31.823 -0.425 0.000 0.820 12 V HN 0.734 nan 8.190 nan 0.000 0.444 13 T N -3.266 111.220 114.554 -0.114 0.000 2.948 13 T HA 0.718 5.067 4.350 -0.002 0.000 0.285 13 T C 1.133 175.709 174.700 -0.207 0.000 1.019 13 T CA 0.254 62.299 62.100 -0.092 0.000 1.013 13 T CB 1.181 70.069 68.868 0.033 0.000 1.117 13 T HN 1.615 nan 8.240 nan 0.000 0.533 14 G N 0.273 108.765 108.800 -0.514 0.000 2.217 14 G HA2 -0.277 3.682 3.960 -0.002 0.000 0.246 14 G HA3 -0.277 3.682 3.960 -0.002 0.000 0.246 14 G C 0.367 174.914 174.900 -0.587 0.000 0.990 14 G CA 0.016 44.458 45.100 -1.098 0.000 0.627 14 G HN 1.242 nan 8.290 nan 0.000 0.522 15 S N 0.744 116.206 115.700 -0.396 0.000 4.241 15 S HA 0.308 4.777 4.470 -0.002 0.000 0.509 15 S C 0.526 174.906 174.600 -0.366 0.000 1.061 15 S CA 1.366 59.339 58.200 -0.378 0.000 1.008 15 S CB -0.122 62.749 63.200 -0.548 0.000 0.746 15 S HN 2.083 nan 8.310 nan 0.000 0.487 16 A N 5.242 127.735 122.820 -0.544 0.000 2.512 16 A HA 0.493 4.812 4.320 -0.002 0.000 0.290 16 A C -1.084 176.202 177.584 -0.497 0.000 1.041 16 A CA -0.757 51.089 52.037 -0.319 0.000 0.911 16 A CB 0.909 19.906 19.000 -0.006 0.000 1.407 16 A HN 0.770 nan 8.150 nan 0.000 0.398 17 H N 2.598 121.602 119.070 -0.110 0.000 2.646 17 H HA 0.411 4.966 4.556 -0.002 0.000 0.328 17 H C -1.057 174.154 175.328 -0.195 0.000 0.998 17 H CA -0.680 55.254 56.048 -0.190 0.000 1.225 17 H CB 1.951 31.487 29.762 -0.377 0.000 1.457 17 H HN 0.536 nan 8.280 nan 0.000 0.505 18 L N 4.832 126.013 121.223 -0.070 0.000 2.278 18 L HA 0.159 4.498 4.340 -0.002 0.000 0.287 18 L C -0.654 176.146 176.870 -0.118 0.000 1.072 18 L CA -0.519 54.220 54.840 -0.169 0.000 0.819 18 L CB 0.256 42.202 42.059 -0.188 0.000 1.176 18 L HN 0.415 nan 8.230 nan 0.000 0.435 19 L N 6.682 127.839 121.223 -0.110 0.000 2.276 19 L HA 0.500 4.839 4.340 -0.002 0.000 0.286 19 L C -1.141 175.689 176.870 -0.067 0.000 1.061 19 L CA 0.050 54.847 54.840 -0.072 0.000 0.807 19 L CB 0.815 42.848 42.059 -0.045 0.000 1.177 19 L HN 0.528 nan 8.230 nan 0.000 0.429 20 L N 6.646 127.839 121.223 -0.051 0.000 2.318 20 L HA 0.909 5.248 4.340 -0.002 0.000 0.277 20 L C -0.265 176.590 176.870 -0.026 0.000 1.008 20 L CA -0.304 54.513 54.840 -0.038 0.000 0.846 20 L CB 1.002 43.042 42.059 -0.031 0.000 1.220 20 L HN 0.871 nan 8.230 nan 0.000 0.423 21 A N 1.481 124.289 122.820 -0.021 0.000 2.567 21 A HA 0.653 4.972 4.320 -0.002 0.000 0.291 21 A C 0.437 178.014 177.584 -0.012 0.000 1.048 21 A CA 0.014 52.043 52.037 -0.014 0.000 0.661 21 A CB 0.988 19.982 19.000 -0.010 0.000 1.288 21 A HN 0.903 nan 8.150 nan 0.000 0.424 22 G N -0.502 108.292 108.800 -0.011 0.000 2.233 22 G HA2 0.215 4.174 3.960 -0.002 0.000 0.270 22 G HA3 0.215 4.174 3.960 -0.002 0.000 0.270 22 G C 1.853 176.747 174.900 -0.009 0.000 1.011 22 G CA 1.618 46.712 45.100 -0.011 0.000 0.762 22 G HN 2.995 nan 8.290 nan 0.000 0.511 23 G N -1.922 106.873 108.800 -0.008 0.000 2.198 23 G HA2 -0.165 3.794 3.960 -0.002 0.000 0.257 23 G HA3 -0.165 3.794 3.960 -0.002 0.000 0.257 23 G C 0.239 175.137 174.900 -0.004 0.000 1.042 23 G CA 1.045 46.141 45.100 -0.006 0.000 0.791 23 G HN 1.033 nan 8.290 nan 0.000 0.502 24 R N -1.144 119.352 120.500 -0.008 0.000 2.799 24 R HA 0.597 4.936 4.340 -0.002 0.000 0.270 24 R C -0.294 175.994 176.300 -0.021 0.000 1.010 24 R CA -0.933 55.162 56.100 -0.007 0.000 0.916 24 R CB 1.283 31.582 30.300 -0.003 0.000 1.228 24 R HN 0.297 nan 8.270 nan 0.000 0.469 25 R N 0.747 121.231 120.500 -0.028 0.000 2.388 25 R HA 0.505 4.844 4.340 -0.002 0.000 0.314 25 R C -0.858 175.394 176.300 -0.081 0.000 0.959 25 R CA -0.667 55.394 56.100 -0.065 0.000 0.851 25 R CB 1.945 32.198 30.300 -0.078 0.000 1.168 25 R HN 0.170 nan 8.270 nan 0.000 0.472 26 V N 4.530 124.388 119.914 -0.094 0.000 2.487 26 V HA 0.278 4.397 4.120 -0.002 0.000 0.298 26 V C -0.276 175.735 176.094 -0.139 0.000 1.028 26 V CA -0.871 61.379 62.300 -0.084 0.000 0.860 26 V CB 2.121 33.924 31.823 -0.033 0.000 0.991 26 V HN 0.570 nan 8.190 nan 0.000 0.427 27 L N 6.116 127.228 121.223 -0.185 0.000 2.260 27 L HA 0.471 4.810 4.340 -0.002 0.000 0.289 27 L C -1.008 175.816 176.870 -0.076 0.000 1.057 27 L CA -0.440 54.260 54.840 -0.233 0.000 0.811 27 L CB 1.291 43.115 42.059 -0.392 0.000 1.184 27 L HN 0.484 nan 8.230 nan 0.000 0.429 28 L N 5.809 127.015 121.223 -0.028 0.000 2.259 28 L HA 0.410 4.749 4.340 -0.002 0.000 0.288 28 L C -0.231 176.735 176.870 0.161 0.000 1.051 28 L CA 0.119 55.029 54.840 0.118 0.000 0.824 28 L CB 0.100 42.208 42.059 0.081 0.000 1.206 28 L HN 0.597 nan 8.230 nan 0.000 0.429 29 D N 1.339 121.873 120.400 0.223 0.000 10.806 29 D HA -0.250 4.389 4.640 -0.002 0.000 0.351 29 D C -0.469 175.863 176.300 0.053 0.000 3.130 29 D CA 0.387 54.514 54.000 0.212 0.000 2.646 29 D CB -0.194 40.836 40.800 0.383 0.000 1.204 29 D HN 0.667 nan 8.370 nan 0.000 0.941 30 C N 2.599 121.925 119.300 0.045 0.000 3.319 30 C HA 0.551 5.010 4.460 -0.002 0.000 0.200 30 C C 0.564 175.580 174.990 0.043 0.000 1.332 30 C CA 0.450 59.490 59.018 0.036 0.000 1.170 30 C CB -0.632 27.130 27.740 0.037 0.000 1.855 30 C HN 0.635 nan 8.230 nan 0.000 0.593 31 G N 2.880 111.641 108.800 -0.066 0.000 2.420 31 G HA2 0.544 4.503 3.960 -0.002 0.000 0.284 31 G HA3 0.544 4.503 3.960 -0.002 0.000 0.284 31 G C -0.064 174.735 174.900 -0.169 0.000 1.177 31 G CA -0.495 44.548 45.100 -0.095 0.000 0.841 31 G HN 0.841 nan 8.290 nan 0.000 0.527 32 M N 0.478 120.048 119.600 -0.050 0.000 2.255 32 M HA 0.625 5.104 4.480 -0.002 0.000 0.336 32 M C -1.050 175.157 176.300 -0.154 0.000 1.135 32 M CA -0.331 54.930 55.300 -0.065 0.000 1.145 32 M CB 0.790 33.523 32.600 0.222 0.000 1.473 32 M HN 0.220 nan 8.290 nan 0.000 0.462 33 F N 1.248 121.177 119.950 -0.034 0.000 2.389 33 F HA 0.389 4.915 4.527 -0.002 0.000 0.337 33 F C 0.540 176.346 175.800 0.009 0.000 1.112 33 F CA 0.063 58.046 58.000 -0.028 0.000 1.192 33 F CB 0.926 39.885 39.000 -0.068 0.000 1.185 33 F HN 0.624 nan 8.300 nan 0.000 0.552 34 Q N 0.305 120.225 119.800 0.200 0.000 2.458 34 Q HA 0.558 4.897 4.340 -0.002 0.000 0.282 34 Q C 0.696 176.765 176.000 0.115 0.000 1.106 34 Q CA -0.446 55.446 55.803 0.148 0.000 0.814 34 Q CB 2.165 30.980 28.738 0.128 0.000 1.425 34 Q HN 0.848 nan 8.270 nan 0.000 0.437 35 G N 1.418 110.277 108.800 0.098 0.000 2.672 35 G HA2 -0.465 3.494 3.960 -0.002 0.000 0.332 35 G HA3 -0.465 3.494 3.960 -0.002 0.000 0.332 35 G C 0.903 175.830 174.900 0.044 0.000 1.213 35 G CA 1.209 46.350 45.100 0.069 0.000 0.980 35 G HN 0.611 nan 8.290 nan 0.000 0.548 36 K N 0.444 120.861 120.400 0.029 0.000 2.034 36 K HA -0.110 4.209 4.320 -0.002 0.000 0.214 36 K C 2.324 178.908 176.600 -0.027 0.000 1.051 36 K CA 2.414 58.700 56.287 -0.002 0.000 0.931 36 K CB -0.154 32.341 32.500 -0.007 0.000 0.715 36 K HN 0.540 nan 8.250 nan 0.000 0.446 37 E N 0.045 120.233 120.200 -0.021 0.000 2.474 37 E HA -0.055 4.294 4.350 -0.002 0.000 0.195 37 E C 1.226 177.797 176.600 -0.049 0.000 1.039 37 E CA -0.013 56.326 56.400 -0.101 0.000 0.881 37 E CB 0.365 29.953 29.700 -0.186 0.000 0.970 37 E HN 0.315 nan 8.360 nan 0.000 0.486 38 E N 1.674 121.902 120.200 0.047 0.000 2.253 38 E HA -0.238 4.111 4.350 -0.002 0.000 0.202 38 E C 1.605 178.240 176.600 0.060 0.000 1.014 38 E CA 1.167 57.623 56.400 0.093 0.000 0.823 38 E CB 0.070 29.835 29.700 0.108 0.000 0.736 38 E HN 0.247 nan 8.360 nan 0.000 0.478 39 A N 0.867 123.684 122.820 -0.005 0.000 2.015 39 A HA -0.129 4.190 4.320 -0.002 0.000 0.219 39 A C 2.126 179.681 177.584 -0.049 0.000 1.163 39 A CA 0.995 53.026 52.037 -0.009 0.000 0.646 39 A CB -0.372 18.584 19.000 -0.073 0.000 0.806 39 A HN 0.172 nan 8.150 nan 0.000 0.448 40 R N 0.002 120.396 120.500 -0.176 0.000 2.152 40 R HA -0.120 4.219 4.340 -0.002 0.000 0.232 40 R C 1.332 177.528 176.300 -0.173 0.000 1.117 40 R CA 1.412 57.348 56.100 -0.272 0.000 0.981 40 R CB -0.552 29.300 30.300 -0.747 0.000 0.870 40 R HN 0.715 nan 8.270 nan 0.000 0.451 41 N N -0.065 118.505 118.700 -0.217 0.000 2.519 41 N HA -0.128 4.611 4.740 -0.002 0.000 0.186 41 N C 0.864 175.905 175.510 -0.783 0.000 1.062 41 N CA 0.494 53.114 53.050 -0.715 0.000 0.910 41 N CB 0.000 37.629 38.487 -1.431 0.000 0.958 41 N HN 0.350 nan 8.380 nan 0.000 0.445 42 H N -0.673 118.205 119.070 -0.319 0.000 2.549 42 H HA 0.377 4.932 4.556 -0.002 0.000 0.279 42 H C 0.078 175.308 175.328 -0.165 0.000 1.018 42 H CA -0.119 55.830 56.048 -0.165 0.000 1.175 42 H CB 0.539 30.254 29.762 -0.078 0.000 1.485 42 H HN 0.128 nan 8.280 nan 0.000 0.543 43 A N 2.246 124.978 122.820 -0.147 0.000 2.356 43 A HA 0.473 4.792 4.320 -0.002 0.000 0.323 43 A C -2.258 175.192 177.584 -0.224 0.000 1.119 43 A CA -1.728 50.221 52.037 -0.146 0.000 0.790 43 A CB 1.126 20.040 19.000 -0.144 0.000 1.273 43 A HN -0.082 nan 8.150 nan 0.000 0.452 44 P HA -0.053 nan 4.420 nan 0.000 0.266 44 P C 0.183 177.335 177.300 -0.247 0.000 1.186 44 P CA 0.300 63.272 63.100 -0.214 0.000 0.767 44 P CB 0.270 31.902 31.700 -0.114 0.000 0.820 45 F N 1.414 121.143 119.950 -0.368 0.000 2.102 45 F HA -0.009 4.517 4.527 -0.002 0.000 0.298 45 F C 2.318 177.704 175.800 -0.691 0.000 1.105 45 F CA 2.619 60.242 58.000 -0.628 0.000 1.239 45 F CB -0.871 37.306 39.000 -1.370 0.000 0.991 45 F HN 0.638 nan 8.300 nan 0.000 0.474 46 G N -1.203 107.292 108.800 -0.508 0.000 2.205 46 G HA2 -0.153 3.806 3.960 -0.002 0.000 0.180 46 G HA3 -0.153 3.806 3.960 -0.002 0.000 0.180 46 G C -0.022 174.557 174.900 -0.535 0.000 1.004 46 G CA -0.164 44.680 45.100 -0.426 0.000 0.670 46 G HN 0.461 nan 8.290 nan 0.000 0.496 47 F N -0.934 118.744 119.950 -0.454 0.000 2.686 47 F HA 0.755 5.281 4.527 -0.002 0.000 0.311 47 F C -0.947 174.750 175.800 -0.171 0.000 1.128 47 F CA -1.782 56.031 58.000 -0.313 0.000 0.946 47 F CB 0.943 39.688 39.000 -0.426 0.000 1.336 47 F HN -0.086 nan 8.300 nan 0.000 0.457 48 D N 3.648 124.123 120.400 0.124 0.000 2.338 48 D HA 0.240 4.879 4.640 -0.002 0.000 0.255 48 D C -1.456 174.926 176.300 0.136 0.000 1.237 48 D CA -2.358 51.683 54.000 0.068 0.000 0.883 48 D CB 1.420 42.257 40.800 0.061 0.000 1.087 48 D HN 0.345 nan 8.370 nan 0.000 0.485 49 P HA -0.118 nan 4.420 nan 0.000 0.225 49 P C 0.686 178.020 177.300 0.058 0.000 1.148 49 P CA 0.778 63.884 63.100 0.009 0.000 0.779 49 P CB 0.436 32.081 31.700 -0.090 0.000 0.780 50 K N -0.321 120.118 120.400 0.064 0.000 2.432 50 K HA -0.008 4.311 4.320 -0.002 0.000 0.196 50 K C 1.526 178.167 176.600 0.069 0.000 1.038 50 K CA 0.575 56.902 56.287 0.066 0.000 0.986 50 K CB 0.078 32.601 32.500 0.038 0.000 0.782 50 K HN 0.055 nan 8.250 nan 0.000 0.485 51 E N 0.598 120.836 120.200 0.064 0.000 2.474 51 E HA 0.034 4.383 4.350 -0.002 0.000 0.195 51 E C -0.112 176.506 176.600 0.030 0.000 1.039 51 E CA 0.111 56.538 56.400 0.045 0.000 0.881 51 E CB 0.424 30.148 29.700 0.040 0.000 0.970 51 E HN -0.040 nan 8.360 nan 0.000 0.486 52 V N 2.219 122.155 119.914 0.037 0.000 2.686 52 V HA 0.016 4.135 4.120 -0.002 0.000 0.295 52 V C 1.195 177.377 176.094 0.146 0.000 1.055 52 V CA 0.132 62.416 62.300 -0.026 0.000 1.050 52 V CB 1.368 33.025 31.823 -0.278 0.000 0.984 52 V HN 0.046 nan 8.190 nan 0.000 0.482 53 D N 2.239 122.694 120.400 0.091 0.000 2.338 53 D HA 0.378 5.017 4.640 -0.002 0.000 0.208 53 D C 0.465 176.893 176.300 0.213 0.000 0.997 53 D CA 1.079 55.160 54.000 0.134 0.000 0.880 53 D CB 1.243 42.084 40.800 0.068 0.000 0.980 53 D HN 0.679 nan 8.370 nan 0.000 0.509 54 A N 0.214 123.142 122.820 0.179 0.000 2.586 54 A HA 0.515 4.834 4.320 -0.002 0.000 0.291 54 A C -1.679 175.959 177.584 0.091 0.000 1.062 54 A CA -0.601 51.586 52.037 0.250 0.000 0.666 54 A CB 1.632 20.816 19.000 0.306 0.000 1.281 54 A HN 0.007 nan 8.150 nan 0.000 0.421 55 V N 0.046 120.046 119.914 0.144 0.000 2.841 55 V HA 0.874 4.993 4.120 -0.002 0.000 0.310 55 V C -1.978 174.240 176.094 0.206 0.000 1.090 55 V CA -0.748 61.586 62.300 0.057 0.000 0.930 55 V CB 1.546 33.312 31.823 -0.095 0.000 1.014 55 V HN 0.953 nan 8.190 nan 0.000 0.425 56 L N 6.045 127.388 121.223 0.200 0.000 2.341 56 L HA 0.673 5.012 4.340 -0.002 0.000 0.278 56 L C -0.688 176.381 176.870 0.331 0.000 1.005 56 L CA -0.441 54.583 54.840 0.307 0.000 0.818 56 L CB 1.646 43.842 42.059 0.228 0.000 1.259 56 L HN 0.588 nan 8.230 nan 0.000 0.418 57 L N 2.529 123.957 121.223 0.342 0.000 2.287 57 L HA 0.409 4.748 4.340 -0.002 0.000 0.287 57 L C 1.413 178.360 176.870 0.129 0.000 1.022 57 L CA 0.042 55.011 54.840 0.215 0.000 0.814 57 L CB 1.356 43.488 42.059 0.122 0.000 1.217 57 L HN 0.829 nan 8.230 nan 0.000 0.420 58 T N -0.677 113.948 114.554 0.118 0.000 2.951 58 T HA 0.049 4.398 4.350 -0.002 0.000 0.268 58 T C 0.531 175.215 174.700 -0.028 0.000 1.073 58 T CA 1.002 63.089 62.100 -0.022 0.000 1.134 58 T CB -0.204 68.713 68.868 0.083 0.000 0.884 58 T HN 0.670 nan 8.240 nan 0.000 0.479 59 H N -2.365 116.578 119.070 -0.213 0.000 2.917 59 H HA 0.629 5.184 4.556 -0.002 0.000 0.299 59 H C 0.481 175.738 175.328 -0.119 0.000 1.418 59 H CA -0.575 55.333 56.048 -0.234 0.000 1.138 59 H CB 1.021 30.610 29.762 -0.289 0.000 1.830 59 H HN 0.018 nan 8.280 nan 0.000 0.514 60 A N -0.175 122.606 122.820 -0.064 0.000 2.206 60 A HA -0.001 4.318 4.320 -0.002 0.000 0.211 60 A C 0.481 178.101 177.584 0.060 0.000 1.158 60 A CA 0.093 52.107 52.037 -0.038 0.000 0.761 60 A CB -1.306 17.669 19.000 -0.043 0.000 0.801 60 A HN 0.645 nan 8.150 nan 0.000 0.473 61 H N -0.817 118.264 119.070 0.019 0.000 3.034 61 H HA 0.029 4.584 4.556 -0.002 0.000 0.324 61 H C 1.261 176.646 175.328 0.096 0.000 1.015 61 H CA -0.554 55.554 56.048 0.100 0.000 1.429 61 H CB 0.721 30.620 29.762 0.230 0.000 1.429 61 H HN 0.213 nan 8.280 nan 0.000 0.585 62 L N 3.080 124.454 121.223 0.252 0.000 2.137 62 L HA -0.222 4.117 4.340 -0.002 0.000 0.213 62 L C 1.796 178.763 176.870 0.162 0.000 1.085 62 L CA 1.788 56.740 54.840 0.187 0.000 0.760 62 L CB -0.478 41.687 42.059 0.178 0.000 0.893 62 L HN 0.780 nan 8.230 nan 0.000 0.434 63 D N -3.260 117.243 120.400 0.172 0.000 2.344 63 D HA -0.103 4.536 4.640 -0.002 0.000 0.242 63 D C 1.046 177.325 176.300 -0.034 0.000 1.159 63 D CA 0.336 54.384 54.000 0.081 0.000 0.859 63 D CB -0.235 40.623 40.800 0.097 0.000 0.925 63 D HN 0.513 nan 8.370 nan 0.000 0.510 64 H N -0.719 118.356 119.070 0.008 0.000 3.899 64 H HA 0.071 4.626 4.556 -0.002 0.000 0.260 64 H C 1.485 176.799 175.328 -0.023 0.000 1.122 64 H CA 0.591 56.609 56.048 -0.050 0.000 1.165 64 H CB 1.609 31.198 29.762 -0.289 0.000 1.503 64 H HN 0.182 nan 8.280 nan 0.000 0.671 65 V N -3.444 116.534 119.914 0.107 0.000 3.497 65 V HA 0.418 4.537 4.120 -0.002 0.000 0.272 65 V C 2.109 178.261 176.094 0.097 0.000 1.474 65 V CA 0.886 63.238 62.300 0.086 0.000 1.025 65 V CB 0.197 32.057 31.823 0.063 0.000 0.820 65 V HN 0.182 nan 8.190 nan 0.000 0.437 66 G N 1.584 110.465 108.800 0.135 0.000 2.556 66 G HA2 -0.297 3.662 3.960 -0.002 0.000 0.220 66 G HA3 -0.297 3.662 3.960 -0.002 0.000 0.220 66 G C 1.637 176.722 174.900 0.308 0.000 1.156 66 G CA 1.524 46.760 45.100 0.226 0.000 0.766 66 G HN 0.545 nan 8.290 nan 0.000 0.583 67 R N -0.529 120.130 120.500 0.264 0.000 2.310 67 R HA 0.228 4.567 4.340 -0.002 0.000 0.202 67 R C 2.201 178.688 176.300 0.311 0.000 0.933 67 R CA -0.179 56.138 56.100 0.362 0.000 1.054 67 R CB -0.161 30.324 30.300 0.307 0.000 0.985 67 R HN 0.349 nan 8.270 nan 0.000 0.489 68 L N 2.226 123.547 121.223 0.165 0.000 2.013 68 L HA -0.118 4.221 4.340 -0.002 0.000 0.212 68 L C -1.049 175.940 176.870 0.198 0.000 1.073 68 L CA 2.120 57.060 54.840 0.168 0.000 0.753 68 L CB -0.856 41.276 42.059 0.122 0.000 0.890 68 L HN -0.005 nan 8.230 nan 0.000 0.432 69 P HA -0.210 nan 4.420 nan 0.000 0.216 69 P C 1.462 178.793 177.300 0.053 0.000 1.150 69 P CA 1.592 64.533 63.100 -0.265 0.000 0.837 69 P CB -0.087 30.865 31.700 -1.247 0.000 0.786 70 K N -0.343 120.171 120.400 0.189 0.000 2.025 70 K HA -0.156 4.163 4.320 -0.002 0.000 0.207 70 K C 1.969 178.817 176.600 0.413 0.000 1.049 70 K CA 1.066 57.566 56.287 0.356 0.000 0.933 70 K CB -0.799 31.928 32.500 0.379 0.000 0.714 70 K HN -0.057 nan 8.250 nan 0.000 0.438 71 L N 0.882 122.389 121.223 0.473 0.000 2.013 71 L HA -0.193 4.146 4.340 -0.002 0.000 0.212 71 L C 2.011 178.929 176.870 0.080 0.000 1.073 71 L CA 1.836 56.775 54.840 0.164 0.000 0.753 71 L CB -0.575 41.364 42.059 -0.200 0.000 0.890 71 L HN 0.170 nan 8.230 nan 0.000 0.432 72 F N -0.520 119.500 119.950 0.117 0.000 2.146 72 F HA -0.160 4.366 4.527 -0.002 0.000 0.298 72 F C 2.754 178.596 175.800 0.069 0.000 1.096 72 F CA 1.728 59.772 58.000 0.073 0.000 1.275 72 F CB -0.495 38.499 39.000 -0.011 0.000 1.008 72 F HN 0.056 nan 8.300 nan 0.000 0.480 73 R N 0.867 121.528 120.500 0.269 0.000 2.127 73 R HA -0.151 4.188 4.340 -0.002 0.000 0.238 73 R C 1.227 177.617 176.300 0.152 0.000 1.134 73 R CA 1.585 57.801 56.100 0.193 0.000 0.975 73 R CB -0.274 30.146 30.300 0.200 0.000 0.865 73 R HN 0.314 nan 8.270 nan 0.000 0.447 74 E N -1.421 118.876 120.200 0.161 0.000 2.403 74 E HA 0.102 4.451 4.350 -0.002 0.000 0.187 74 E C 0.541 177.189 176.600 0.081 0.000 1.073 74 E CA 0.322 56.795 56.400 0.122 0.000 0.888 74 E CB 0.869 30.665 29.700 0.159 0.000 1.035 74 E HN 0.662 nan 8.360 nan 0.000 0.471 75 G N 1.135 109.976 108.800 0.068 0.000 2.541 75 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.201 75 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.201 75 G C 0.002 174.893 174.900 -0.014 0.000 1.026 75 G CA -0.328 44.792 45.100 0.033 0.000 0.687 75 G HN 0.399 nan 8.290 nan 0.000 0.492 76 Y N 2.466 122.636 120.300 -0.218 0.000 2.811 76 Y HA 0.394 4.943 4.550 -0.002 0.000 0.334 76 Y C 1.332 176.949 175.900 -0.472 0.000 1.247 76 Y CA 0.728 58.592 58.100 -0.393 0.000 1.526 76 Y CB 0.505 38.590 38.460 -0.625 0.000 1.284 76 Y HN 0.128 nan 8.280 nan 0.000 0.586 77 R N 4.045 123.937 120.500 -1.014 0.000 2.544 77 R HA 0.207 4.546 4.340 -0.002 0.000 0.426 77 R C 0.230 176.095 176.300 -0.726 0.000 0.943 77 R CA 0.307 55.985 56.100 -0.703 0.000 1.162 77 R CB 0.512 30.685 30.300 -0.212 0.000 1.588 77 R HN 0.858 nan 8.270 nan 0.000 0.563 78 G N 1.913 109.753 108.800 -1.601 0.000 2.543 78 G HA2 0.384 4.343 3.960 -0.002 0.000 0.290 78 G HA3 0.384 4.343 3.960 -0.002 0.000 0.290 78 G C -2.408 172.387 174.900 -0.174 0.000 1.310 78 G CA -0.894 43.767 45.100 -0.731 0.000 1.025 78 G HN -0.136 nan 8.290 nan 0.000 0.502 79 P HA 0.268 nan 4.420 nan 0.000 0.274 79 P C -0.839 176.479 177.300 0.031 0.000 1.231 79 P CA -0.197 62.890 63.100 -0.021 0.000 0.790 79 P CB 1.609 33.168 31.700 -0.235 0.000 0.951 80 V N 3.373 123.233 119.914 -0.089 0.000 2.447 80 V HA 0.253 4.372 4.120 -0.002 0.000 0.292 80 V C -0.585 175.430 176.094 -0.131 0.000 1.021 80 V CA -0.524 61.798 62.300 0.036 0.000 0.850 80 V CB 0.510 32.461 31.823 0.213 0.000 1.005 80 V HN 0.387 nan 8.190 nan 0.000 0.426 81 Y N 2.819 123.199 120.300 0.135 0.000 2.323 81 Y HA 0.820 5.369 4.550 -0.002 0.000 0.331 81 Y C 0.518 176.551 175.900 0.223 0.000 1.092 81 Y CA -0.266 57.905 58.100 0.119 0.000 1.150 81 Y CB 1.880 40.350 38.460 0.018 0.000 1.200 81 Y HN 0.787 nan 8.280 nan 0.000 0.472 82 A N 0.615 123.654 122.820 0.365 0.000 2.608 82 A HA 0.590 4.909 4.320 -0.002 0.000 0.292 82 A C -0.449 177.213 177.584 0.131 0.000 1.066 82 A CA -0.814 51.379 52.037 0.261 0.000 0.676 82 A CB 0.376 19.419 19.000 0.073 0.000 1.277 82 A HN 0.706 nan 8.150 nan 0.000 0.413 83 T N -0.801 113.680 114.554 -0.122 0.000 2.900 83 T HA 0.323 4.672 4.350 -0.002 0.000 0.307 83 T C 1.185 175.787 174.700 -0.164 0.000 1.065 83 T CA 0.187 62.175 62.100 -0.187 0.000 1.105 83 T CB 0.750 69.348 68.868 -0.450 0.000 0.979 83 T HN 0.830 nan 8.240 nan 0.000 0.544 84 R N 2.115 122.577 120.500 -0.062 0.000 2.113 84 R HA -0.153 4.186 4.340 -0.002 0.000 0.244 84 R C 2.536 178.702 176.300 -0.223 0.000 1.142 84 R CA 2.317 58.385 56.100 -0.054 0.000 0.953 84 R CB -1.462 28.892 30.300 0.089 0.000 0.860 84 R HN 0.904 nan 8.270 nan 0.000 0.438 85 A N -1.148 121.317 122.820 -0.593 0.000 1.883 85 A HA -0.180 4.139 4.320 -0.002 0.000 0.217 85 A C 2.310 179.621 177.584 -0.455 0.000 1.186 85 A CA 2.272 53.837 52.037 -0.788 0.000 0.624 85 A CB -1.180 16.809 19.000 -1.684 0.000 0.822 85 A HN 0.493 nan 8.150 nan 0.000 0.444 86 T N -0.319 113.987 114.554 -0.413 0.000 2.746 86 T HA -0.117 4.232 4.350 -0.002 0.000 0.267 86 T C 1.882 176.488 174.700 -0.156 0.000 1.039 86 T CA 1.552 63.499 62.100 -0.254 0.000 1.142 86 T CB -0.429 68.297 68.868 -0.237 0.000 0.866 86 T HN 0.174 nan 8.240 nan 0.000 0.444 87 V N 1.516 121.347 119.914 -0.138 0.000 2.295 87 V HA -0.140 3.979 4.120 -0.002 0.000 0.246 87 V C 2.476 178.526 176.094 -0.074 0.000 1.049 87 V CA 1.545 63.797 62.300 -0.080 0.000 1.024 87 V CB -0.699 31.089 31.823 -0.059 0.000 0.648 87 V HN 0.440 nan 8.190 nan 0.000 0.447 88 L N -0.888 120.280 121.223 -0.093 0.000 2.046 88 L HA -0.180 4.159 4.340 -0.002 0.000 0.208 88 L C 2.427 179.269 176.870 -0.046 0.000 1.077 88 L CA 1.480 56.282 54.840 -0.062 0.000 0.747 88 L CB -0.542 41.478 42.059 -0.066 0.000 0.896 88 L HN 0.288 nan 8.230 nan 0.000 0.432 89 L N -1.134 120.048 121.223 -0.068 0.000 2.017 89 L HA -0.240 4.099 4.340 -0.002 0.000 0.208 89 L C 2.687 179.550 176.870 -0.011 0.000 1.073 89 L CA 1.268 56.090 54.840 -0.030 0.000 0.745 89 L CB -0.363 41.664 42.059 -0.054 0.000 0.894 89 L HN 0.298 nan 8.230 nan 0.000 0.432 90 M N -0.508 119.075 119.600 -0.028 0.000 2.255 90 M HA -0.297 4.182 4.480 -0.002 0.000 0.259 90 M C 2.140 178.435 176.300 -0.008 0.000 1.071 90 M CA 1.681 56.973 55.300 -0.013 0.000 1.074 90 M CB -0.210 32.374 32.600 -0.026 0.000 1.384 90 M HN 0.275 nan 8.290 nan 0.000 0.415 91 E N 0.553 120.745 120.200 -0.014 0.000 2.028 91 E HA -0.186 4.163 4.350 -0.002 0.000 0.191 91 E C 1.737 178.342 176.600 0.009 0.000 0.988 91 E CA 1.356 57.750 56.400 -0.010 0.000 0.799 91 E CB 0.004 29.696 29.700 -0.012 0.000 0.755 91 E HN 0.512 nan 8.360 nan 0.000 0.447 92 I N 0.289 120.870 120.570 0.018 0.000 2.090 92 I HA -0.266 3.903 4.170 -0.002 0.000 0.236 92 I C 2.414 178.560 176.117 0.047 0.000 1.064 92 I CA 0.792 62.112 61.300 0.032 0.000 1.324 92 I CB -0.546 37.477 38.000 0.039 0.000 1.044 92 I HN 0.041 nan 8.210 nan 0.000 0.399 93 V N 0.961 120.910 119.914 0.058 0.000 2.317 93 V HA -0.306 3.813 4.120 -0.002 0.000 0.251 93 V C 2.466 178.611 176.094 0.085 0.000 1.065 93 V CA 1.875 64.225 62.300 0.083 0.000 1.049 93 V CB -0.642 31.238 31.823 0.096 0.000 0.651 93 V HN 0.307 nan 8.190 nan 0.000 0.450 94 L N -0.558 120.701 121.223 0.061 0.000 2.072 94 L HA -0.044 4.295 4.340 -0.002 0.000 0.205 94 L C 2.547 179.469 176.870 0.086 0.000 1.079 94 L CA 1.629 56.508 54.840 0.064 0.000 0.752 94 L CB -0.970 41.087 42.059 -0.005 0.000 0.906 94 L HN 0.290 nan 8.230 nan 0.000 0.436 95 E N -0.286 119.948 120.200 0.055 0.000 2.058 95 E HA -0.275 4.074 4.350 -0.002 0.000 0.194 95 E C 1.832 178.468 176.600 0.060 0.000 0.997 95 E CA 1.435 57.866 56.400 0.053 0.000 0.801 95 E CB -0.504 29.215 29.700 0.032 0.000 0.746 95 E HN 0.550 nan 8.360 nan 0.000 0.450 96 D N 0.775 121.211 120.400 0.061 0.000 2.087 96 D HA -0.169 4.470 4.640 -0.002 0.000 0.192 96 D C 1.800 178.139 176.300 0.064 0.000 0.993 96 D CA 1.835 55.870 54.000 0.059 0.000 0.828 96 D CB -0.003 40.837 40.800 0.067 0.000 0.968 96 D HN 0.072 nan 8.370 nan 0.000 0.448 97 A N 0.964 123.842 122.820 0.095 0.000 2.139 97 A HA -0.130 4.189 4.320 -0.002 0.000 0.221 97 A C 2.439 180.043 177.584 0.033 0.000 1.159 97 A CA 0.757 52.854 52.037 0.099 0.000 0.662 97 A CB -0.665 18.445 19.000 0.183 0.000 0.796 97 A HN 0.481 nan 8.150 nan 0.000 0.463 98 L N -1.720 119.538 121.223 0.058 0.000 2.375 98 L HA 0.035 4.374 4.340 -0.002 0.000 0.215 98 L C 2.300 179.139 176.870 -0.051 0.000 1.108 98 L CA 1.475 56.304 54.840 -0.018 0.000 0.830 98 L CB -0.195 41.922 42.059 0.097 0.000 0.959 98 L HN 0.513 nan 8.230 nan 0.000 0.457 99 K N -0.748 119.645 120.400 -0.012 0.000 2.276 99 K HA 0.049 4.368 4.320 -0.002 0.000 0.198 99 K C 0.573 177.165 176.600 -0.013 0.000 1.052 99 K CA 0.428 56.708 56.287 -0.012 0.000 0.984 99 K CB 0.677 33.180 32.500 0.004 0.000 0.836 99 K HN 0.119 nan 8.250 nan 0.000 0.490 100 V N 2.769 122.682 119.914 -0.001 0.000 2.622 100 V HA 0.290 4.409 4.120 -0.002 0.000 0.296 100 V C -0.614 175.483 176.094 0.004 0.000 1.174 100 V CA -0.266 62.040 62.300 0.009 0.000 1.391 100 V CB 0.271 32.113 31.823 0.030 0.000 1.553 100 V HN 0.257 nan 8.190 nan 0.000 0.581 101 M N 2.309 121.890 119.600 -0.031 0.000 2.067 101 M HA 0.336 4.815 4.480 -0.002 0.000 0.286 101 M C 1.042 177.324 176.300 -0.030 0.000 0.922 101 M CA -0.518 54.756 55.300 -0.043 0.000 0.937 101 M CB 1.250 33.755 32.600 -0.157 0.000 1.550 101 M HN 0.497 nan 8.290 nan 0.000 0.433 102 D N 2.848 123.255 120.400 0.012 0.000 2.137 102 D HA -0.206 4.433 4.640 -0.002 0.000 0.189 102 D C -0.236 176.076 176.300 0.020 0.000 0.998 102 D CA 1.683 55.693 54.000 0.016 0.000 0.839 102 D CB -0.043 40.775 40.800 0.030 0.000 0.962 102 D HN 0.504 nan 8.370 nan 0.000 0.446 103 E N 1.791 122.033 120.200 0.071 0.000 2.167 103 E HA 0.297 4.646 4.350 -0.002 0.000 0.247 103 E C -2.316 174.428 176.600 0.240 0.000 0.961 103 E CA -2.403 54.073 56.400 0.127 0.000 0.797 103 E CB 1.378 31.148 29.700 0.117 0.000 1.182 103 E HN 0.241 nan 8.360 nan 0.000 0.437 104 P HA -0.010 nan 4.420 nan 0.000 0.271 104 P C -0.306 176.958 177.300 -0.060 0.000 1.220 104 P CA -0.061 62.912 63.100 -0.211 0.000 0.768 104 P CB 0.314 31.857 31.700 -0.263 0.000 0.848 105 F N 2.069 121.812 119.950 -0.345 0.000 2.735 105 F HA 0.517 5.043 4.527 -0.002 0.000 0.308 105 F C -0.350 175.416 175.800 -0.057 0.000 1.112 105 F CA -1.218 56.577 58.000 -0.341 0.000 1.235 105 F CB -0.152 38.386 39.000 -0.770 0.000 1.027 105 F HN 0.119 nan 8.300 nan 0.000 0.528 106 F N -1.494 118.307 119.950 -0.248 0.000 2.725 106 F HA 0.823 5.349 4.527 -0.002 0.000 0.309 106 F C -0.158 175.566 175.800 -0.127 0.000 1.132 106 F CA -1.780 56.134 58.000 -0.143 0.000 0.957 106 F CB 0.494 39.399 39.000 -0.159 0.000 1.286 106 F HN 0.088 nan 8.300 nan 0.000 0.440 107 G N 0.466 109.395 108.800 0.215 0.000 2.568 107 G HA2 0.610 4.569 3.960 -0.002 0.000 0.293 107 G HA3 0.610 4.569 3.960 -0.002 0.000 0.293 107 G C -2.289 172.733 174.900 0.202 0.000 1.347 107 G CA -1.576 43.596 45.100 0.120 0.000 1.039 107 G HN 0.514 nan 8.290 nan 0.000 0.523 108 P HA -0.039 nan 4.420 nan 0.000 0.222 108 P C 1.293 178.628 177.300 0.059 0.000 1.153 108 P CA 1.030 64.181 63.100 0.085 0.000 0.798 108 P CB 0.258 31.984 31.700 0.044 0.000 0.796 109 E N 0.481 120.714 120.200 0.056 0.000 2.274 109 E HA -0.157 4.192 4.350 -0.002 0.000 0.194 109 E C 0.978 177.596 176.600 0.030 0.000 0.996 109 E CA 1.006 57.429 56.400 0.037 0.000 0.840 109 E CB -1.011 28.715 29.700 0.043 0.000 0.772 109 E HN 0.239 nan 8.360 nan 0.000 0.491 110 D N 0.852 121.286 120.400 0.056 0.000 2.249 110 D HA -0.004 4.635 4.640 -0.002 0.000 0.205 110 D C 2.068 178.304 176.300 -0.106 0.000 0.962 110 D CA 0.505 54.520 54.000 0.025 0.000 0.860 110 D CB 0.355 41.215 40.800 0.100 0.000 0.955 110 D HN 0.099 nan 8.370 nan 0.000 0.505 111 V N 1.169 121.037 119.914 -0.077 0.000 2.488 111 V HA -0.133 3.986 4.120 -0.002 0.000 0.246 111 V C 2.435 178.444 176.094 -0.142 0.000 1.046 111 V CA 1.185 63.400 62.300 -0.142 0.000 1.053 111 V CB -0.248 31.555 31.823 -0.033 0.000 0.679 111 V HN 0.166 nan 8.190 nan 0.000 0.458 112 E N 0.335 120.483 120.200 -0.087 0.000 2.077 112 E HA -0.288 4.061 4.350 -0.002 0.000 0.193 112 E C 2.145 178.668 176.600 -0.128 0.000 0.989 112 E CA 1.591 57.943 56.400 -0.081 0.000 0.800 112 E CB 0.096 29.774 29.700 -0.037 0.000 0.746 112 E HN 0.612 nan 8.360 nan 0.000 0.452 113 E N 0.648 120.752 120.200 -0.159 0.000 2.007 113 E HA -0.170 4.179 4.350 -0.002 0.000 0.194 113 E C 1.856 178.088 176.600 -0.614 0.000 0.999 113 E CA 1.748 58.013 56.400 -0.224 0.000 0.811 113 E CB -0.501 29.103 29.700 -0.159 0.000 0.762 113 E HN 0.325 nan 8.360 nan 0.000 0.450 114 A N 0.563 122.774 122.820 -1.015 0.000 1.903 114 A HA -0.231 4.088 4.320 -0.002 0.000 0.219 114 A C 2.410 179.673 177.584 -0.535 0.000 1.191 114 A CA 1.951 53.210 52.037 -1.297 0.000 0.638 114 A CB -1.030 17.583 19.000 -0.645 0.000 0.823 114 A HN 0.362 nan 8.150 nan 0.000 0.451 115 L N -0.912 120.130 121.223 -0.303 0.000 2.141 115 L HA -0.110 4.229 4.340 -0.002 0.000 0.209 115 L C 2.744 179.542 176.870 -0.119 0.000 1.094 115 L CA 0.914 55.660 54.840 -0.157 0.000 0.763 115 L CB -0.705 41.286 42.059 -0.112 0.000 0.908 115 L HN 0.517 nan 8.230 nan 0.000 0.437 116 G N -1.529 107.200 108.800 -0.119 0.000 2.498 116 G HA2 -0.232 3.727 3.960 -0.002 0.000 0.219 116 G HA3 -0.232 3.727 3.960 -0.002 0.000 0.219 116 G C 0.875 175.699 174.900 -0.127 0.000 1.119 116 G CA 0.445 45.490 45.100 -0.092 0.000 0.766 116 G HN 0.449 nan 8.290 nan 0.000 0.552 117 H N -0.816 118.157 119.070 -0.160 0.000 2.520 117 H HA 0.381 4.936 4.556 -0.002 0.000 0.284 117 H C 0.662 175.953 175.328 -0.062 0.000 1.037 117 H CA -0.565 55.451 56.048 -0.053 0.000 1.168 117 H CB 0.190 30.035 29.762 0.139 0.000 1.497 117 H HN 0.143 nan 8.280 nan 0.000 0.547 118 L N 1.542 122.765 121.223 -0.000 0.000 2.416 118 L HA 0.258 4.597 4.340 -0.002 0.000 0.272 118 L C 0.237 177.061 176.870 -0.076 0.000 1.161 118 L CA 0.300 55.122 54.840 -0.031 0.000 0.845 118 L CB 0.612 42.654 42.059 -0.029 0.000 1.119 118 L HN 0.169 nan 8.230 nan 0.000 0.464 119 R N 4.100 124.533 120.500 -0.112 0.000 2.532 119 R HA 0.393 4.732 4.340 -0.002 0.000 0.297 119 R C -2.547 173.772 176.300 0.033 0.000 0.984 119 R CA -1.806 54.240 56.100 -0.091 0.000 0.884 119 R CB 2.200 32.352 30.300 -0.246 0.000 1.182 119 R HN 0.359 nan 8.270 nan 0.000 0.442 120 P HA 0.126 nan 4.420 nan 0.000 0.272 120 P C -0.982 176.409 177.300 0.153 0.000 1.223 120 P CA -0.374 62.778 63.100 0.087 0.000 0.784 120 P CB 1.099 32.828 31.700 0.048 0.000 0.923 121 L N 1.599 122.914 121.223 0.153 0.000 2.661 121 L HA 0.337 4.676 4.340 -0.002 0.000 0.263 121 L C -0.616 176.318 176.870 0.108 0.000 0.956 121 L CA -0.242 54.665 54.840 0.112 0.000 0.918 121 L CB 1.436 43.544 42.059 0.082 0.000 1.280 121 L HN 0.195 nan 8.230 nan 0.000 0.416 122 E N 2.556 122.759 120.200 0.006 0.000 2.292 122 E HA 0.311 4.660 4.350 -0.002 0.000 0.258 122 E C -0.921 175.625 176.600 -0.090 0.000 1.115 122 E CA -0.571 55.779 56.400 -0.083 0.000 0.929 122 E CB 0.448 30.121 29.700 -0.046 0.000 1.161 122 E HN 0.419 nan 8.360 nan 0.000 0.453 123 Y N 0.058 120.370 120.300 0.020 0.000 2.712 123 Y HA 0.176 4.725 4.550 -0.002 0.000 0.333 123 Y C 1.828 177.646 175.900 -0.136 0.000 1.225 123 Y CA 1.565 59.628 58.100 -0.061 0.000 1.499 123 Y CB -0.072 38.333 38.460 -0.091 0.000 1.288 123 Y HN 0.777 nan 8.280 nan 0.000 0.575 124 G N 1.348 110.096 108.800 -0.086 0.000 2.212 124 G HA2 -0.312 3.647 3.960 -0.002 0.000 0.266 124 G HA3 -0.312 3.647 3.960 -0.002 0.000 0.266 124 G C 0.103 174.789 174.900 -0.357 0.000 0.978 124 G CA 0.185 45.153 45.100 -0.220 0.000 0.632 124 G HN 0.604 nan 8.290 nan 0.000 0.537 125 E N -0.648 119.361 120.200 -0.319 0.000 2.331 125 E HA 0.427 4.776 4.350 -0.002 0.000 0.272 125 E C -0.375 175.942 176.600 -0.471 0.000 1.036 125 E CA -0.764 55.475 56.400 -0.269 0.000 0.864 125 E CB 0.537 30.149 29.700 -0.145 0.000 1.035 125 E HN 0.369 nan 8.360 nan 0.000 0.408 126 W N 3.469 124.713 121.300 -0.094 0.000 2.417 126 W HA 0.368 5.027 4.660 -0.001 0.000 0.317 126 W C -0.582 175.840 176.519 -0.161 0.000 1.121 126 W CA -0.646 56.624 57.345 -0.124 0.000 1.208 126 W CB 0.788 30.197 29.460 -0.085 0.000 1.253 126 W HN 0.304 nan 8.180 nan 0.000 0.533 127 L N 3.967 125.203 121.223 0.020 0.000 2.346 127 L HA 0.625 4.964 4.340 -0.002 0.000 0.276 127 L C -0.757 176.087 176.870 -0.044 0.000 1.006 127 L CA -1.177 53.582 54.840 -0.135 0.000 0.817 127 L CB 1.349 43.148 42.059 -0.434 0.000 1.272 127 L HN 0.387 nan 8.230 nan 0.000 0.421 128 R N 5.536 126.008 120.500 -0.046 0.000 2.393 128 R HA 0.676 5.015 4.340 -0.002 0.000 0.315 128 R C -1.629 174.654 176.300 -0.029 0.000 0.952 128 R CA -0.686 55.400 56.100 -0.023 0.000 0.842 128 R CB 1.489 31.782 30.300 -0.012 0.000 1.163 128 R HN 0.656 nan 8.270 nan 0.000 0.450 129 L N 2.880 124.088 121.223 -0.024 0.000 2.372 129 L HA 0.404 4.743 4.340 -0.002 0.000 0.274 129 L C 0.979 177.845 176.870 -0.006 0.000 0.988 129 L CA -0.433 54.402 54.840 -0.008 0.000 0.833 129 L CB 1.868 43.923 42.059 -0.006 0.000 1.236 129 L HN 0.952 nan 8.230 nan 0.000 0.410 130 G N 2.987 111.786 108.800 -0.002 0.000 2.622 130 G HA2 -0.371 3.588 3.960 -0.002 0.000 0.307 130 G HA3 -0.371 3.588 3.960 -0.002 0.000 0.307 130 G C 0.622 175.514 174.900 -0.013 0.000 1.226 130 G CA 0.523 45.619 45.100 -0.006 0.000 0.997 130 G HN 0.918 nan 8.290 nan 0.000 0.551 131 A N -0.716 122.095 122.820 -0.015 0.000 2.462 131 A HA 0.680 4.999 4.320 -0.002 0.000 0.261 131 A C 0.477 178.047 177.584 -0.023 0.000 1.323 131 A CA 0.969 52.993 52.037 -0.022 0.000 0.913 131 A CB -0.036 18.952 19.000 -0.021 0.000 1.028 131 A HN 1.422 nan 8.150 nan 0.000 0.511 132 L N -0.177 121.036 121.223 -0.017 0.000 2.331 132 L HA 0.703 5.042 4.340 -0.002 0.000 0.275 132 L C -0.460 176.410 176.870 0.000 0.000 1.022 132 L CA 0.089 54.925 54.840 -0.008 0.000 0.812 132 L CB 2.107 44.163 42.059 -0.005 0.000 1.257 132 L HN 0.006 nan 8.230 nan 0.000 0.435 133 S N 4.795 120.514 115.700 0.031 0.000 2.532 133 S HA 0.812 5.281 4.470 -0.002 0.000 0.299 133 S C -1.057 173.686 174.600 0.239 0.000 1.105 133 S CA -0.546 57.721 58.200 0.111 0.000 1.018 133 S CB 1.314 64.518 63.200 0.006 0.000 1.021 133 S HN 0.511 nan 8.310 nan 0.000 0.483 134 L N 1.793 123.152 121.223 0.227 0.000 2.388 134 L HA 0.988 5.327 4.340 -0.002 0.000 0.264 134 L C -0.491 176.224 176.870 -0.257 0.000 0.998 134 L CA -0.927 53.934 54.840 0.036 0.000 0.817 134 L CB 2.018 43.993 42.059 -0.140 0.000 1.338 134 L HN 0.741 nan 8.230 nan 0.000 0.414 135 A N 1.237 123.755 122.820 -0.503 0.000 2.520 135 A HA 0.804 5.123 4.320 -0.002 0.000 0.298 135 A C -1.515 175.775 177.584 -0.491 0.000 1.051 135 A CA -0.388 51.154 52.037 -0.824 0.000 0.690 135 A CB 1.216 19.230 19.000 -1.643 0.000 1.281 135 A HN 0.377 nan 8.150 nan 0.000 0.402 136 F N 1.143 120.847 119.950 -0.410 0.000 2.384 136 F HA 0.592 5.118 4.527 -0.001 0.000 0.338 136 F C 1.139 176.683 175.800 -0.425 0.000 1.103 136 F CA -0.131 57.657 58.000 -0.355 0.000 1.157 136 F CB 1.769 40.589 39.000 -0.299 0.000 1.167 136 F HN 0.706 nan 8.300 nan 0.000 0.529 137 G N 1.255 109.684 108.800 -0.619 0.000 2.473 137 G HA2 0.455 4.414 3.960 -0.002 0.000 0.321 137 G HA3 0.455 4.414 3.960 -0.002 0.000 0.321 137 G C -1.434 173.121 174.900 -0.574 0.000 1.200 137 G CA -0.716 43.721 45.100 -1.105 0.000 0.963 137 G HN 0.453 nan 8.290 nan 0.000 0.483 138 Q N 0.167 119.800 119.800 -0.279 0.000 2.296 138 Q HA 0.524 4.863 4.340 -0.002 0.000 0.263 138 Q C 0.701 176.803 176.000 0.171 0.000 1.026 138 Q CA 0.484 56.112 55.803 -0.291 0.000 0.912 138 Q CB 1.152 29.590 28.738 -0.501 0.000 1.198 138 Q HN 0.544 nan 8.270 nan 0.000 0.407 139 A N 3.814 126.710 122.820 0.127 0.000 2.220 139 A HA 0.388 4.707 4.320 -0.002 0.000 0.211 139 A C 1.144 178.686 177.584 -0.070 0.000 1.176 139 A CA 0.266 52.352 52.037 0.081 0.000 0.834 139 A CB -0.552 18.436 19.000 -0.020 0.000 0.868 139 A HN 1.239 nan 8.150 nan 0.000 0.488 140 G N -0.252 108.499 108.800 -0.082 0.000 2.247 140 G HA2 -0.281 3.678 3.960 -0.002 0.000 0.265 140 G HA3 -0.281 3.678 3.960 -0.002 0.000 0.265 140 G C 0.273 175.109 174.900 -0.106 0.000 0.861 140 G CA 1.239 46.275 45.100 -0.108 0.000 1.289 140 G HN 0.963 nan 8.290 nan 0.000 0.403 141 H N 0.279 119.187 119.070 -0.269 0.000 3.329 141 H HA 0.540 5.095 4.556 -0.002 0.000 0.234 141 H C 0.674 175.806 175.328 -0.327 0.000 0.957 141 H CA 0.474 56.325 56.048 -0.329 0.000 1.066 141 H CB 0.566 30.049 29.762 -0.465 0.000 1.435 141 H HN 0.399 nan 8.280 nan 0.000 0.513 142 L N 0.950 121.950 121.223 -0.372 0.000 2.518 142 L HA 0.397 4.736 4.340 -0.002 0.000 0.257 142 L C -2.627 174.056 176.870 -0.311 0.000 0.980 142 L CA -2.247 52.368 54.840 -0.375 0.000 0.837 142 L CB 2.823 44.629 42.059 -0.421 0.000 1.410 142 L HN -0.024 nan 8.230 nan 0.000 0.410 143 P HA 0.108 nan 4.420 nan 0.000 0.261 143 P C 0.570 177.557 177.300 -0.522 0.000 1.203 143 P CA 0.985 63.774 63.100 -0.519 0.000 0.767 143 P CB 0.424 31.675 31.700 -0.748 0.000 0.785 144 G N 2.257 110.817 108.800 -0.400 0.000 2.157 144 G HA2 -0.229 3.730 3.960 -0.002 0.000 0.239 144 G HA3 -0.229 3.730 3.960 -0.002 0.000 0.239 144 G C 0.331 175.060 174.900 -0.285 0.000 0.982 144 G CA 0.124 44.963 45.100 -0.435 0.000 0.650 144 G HN 0.729 nan 8.290 nan 0.000 0.527 145 S N -0.204 115.383 115.700 -0.188 0.000 2.564 145 S HA 0.824 5.293 4.470 -0.002 0.000 0.278 145 S C 0.288 174.811 174.600 -0.128 0.000 1.333 145 S CA 0.851 58.927 58.200 -0.208 0.000 1.048 145 S CB 2.100 65.136 63.200 -0.273 0.000 0.900 145 S HN 2.036 nan 8.310 nan 0.000 0.505 146 A N 2.036 124.709 122.820 -0.246 0.000 2.566 146 A HA 0.802 5.121 4.320 -0.002 0.000 0.292 146 A C -0.666 176.866 177.584 -0.086 0.000 1.112 146 A CA -1.130 50.789 52.037 -0.197 0.000 0.707 146 A CB 0.895 19.493 19.000 -0.671 0.000 1.302 146 A HN 1.223 nan 8.150 nan 0.000 0.409 147 F N -0.381 119.563 119.950 -0.009 0.000 2.497 147 F HA 0.851 5.377 4.527 -0.002 0.000 0.331 147 F C -0.519 175.397 175.800 0.193 0.000 1.060 147 F CA -1.293 56.705 58.000 -0.004 0.000 0.989 147 F CB 1.099 40.166 39.000 0.112 0.000 1.245 147 F HN 0.277 nan 8.300 nan 0.000 0.486 148 V N 2.358 122.507 119.914 0.393 0.000 2.513 148 V HA 0.552 4.671 4.120 -0.002 0.000 0.299 148 V C -0.504 175.785 176.094 0.324 0.000 1.035 148 V CA -0.859 61.637 62.300 0.327 0.000 0.889 148 V CB 1.484 33.537 31.823 0.384 0.000 0.988 148 V HN 0.752 nan 8.190 nan 0.000 0.440 149 V N 3.483 123.494 119.914 0.162 0.000 2.459 149 V HA 0.860 4.979 4.120 -0.002 0.000 0.295 149 V C 0.166 176.352 176.094 0.154 0.000 1.029 149 V CA -0.410 62.002 62.300 0.187 0.000 0.874 149 V CB 1.666 33.584 31.823 0.159 0.000 0.985 149 V HN 1.026 nan 8.190 nan 0.000 0.438 150 A N 4.364 127.287 122.820 0.172 0.000 2.353 150 A HA 0.741 5.060 4.320 -0.002 0.000 0.299 150 A C -0.798 176.864 177.584 0.130 0.000 1.089 150 A CA -0.550 51.572 52.037 0.143 0.000 0.736 150 A CB 1.649 20.707 19.000 0.097 0.000 1.195 150 A HN 0.679 nan 8.150 nan 0.000 0.447 151 Q N 2.036 121.913 119.800 0.128 0.000 2.331 151 Q HA 0.645 4.984 4.340 -0.002 0.000 0.267 151 Q C -0.641 175.369 176.000 0.017 0.000 1.006 151 Q CA -0.363 55.476 55.803 0.060 0.000 0.818 151 Q CB 1.982 30.735 28.738 0.025 0.000 1.276 151 Q HN 1.263 nan 8.270 nan 0.000 0.450 152 G N 2.099 110.901 108.800 0.003 0.000 2.655 152 G HA2 0.302 4.261 3.960 -0.002 0.000 0.296 152 G HA3 0.302 4.261 3.960 -0.002 0.000 0.296 152 G C -1.158 173.734 174.900 -0.013 0.000 1.485 152 G CA -0.650 44.444 45.100 -0.010 0.000 0.869 152 G HN 0.738 nan 8.290 nan 0.000 0.540 153 E N -0.483 119.706 120.200 -0.019 0.000 2.328 153 E HA -0.220 4.129 4.350 -0.002 0.000 0.233 153 E C 1.456 178.046 176.600 -0.017 0.000 1.219 153 E CA 1.293 57.682 56.400 -0.018 0.000 0.717 153 E CB -1.281 28.411 29.700 -0.013 0.000 1.210 153 E HN 2.361 nan 8.360 nan 0.000 0.381 154 G N -0.111 108.675 108.800 -0.022 0.000 2.187 154 G HA2 -0.389 3.570 3.960 -0.002 0.000 0.261 154 G HA3 -0.389 3.570 3.960 -0.002 0.000 0.261 154 G C 0.145 175.037 174.900 -0.014 0.000 1.000 154 G CA 0.844 45.931 45.100 -0.021 0.000 0.718 154 G HN 0.276 nan 8.290 nan 0.000 0.519 155 R N -0.538 119.957 120.500 -0.008 0.000 2.740 155 R HA 0.677 5.016 4.340 -0.002 0.000 0.282 155 R C -0.946 175.361 176.300 0.012 0.000 0.969 155 R CA -0.473 55.627 56.100 0.000 0.000 0.918 155 R CB 1.814 32.114 30.300 -0.001 0.000 1.175 155 R HN 0.118 nan 8.270 nan 0.000 0.464 156 T N 2.533 117.100 114.554 0.021 0.000 2.841 156 T HA 0.405 4.754 4.350 -0.002 0.000 0.285 156 T C -0.979 173.751 174.700 0.051 0.000 0.991 156 T CA -0.590 61.536 62.100 0.043 0.000 0.966 156 T CB 1.323 70.219 68.868 0.046 0.000 0.962 156 T HN 0.328 nan 8.240 nan 0.000 0.438 157 L N 4.353 125.621 121.223 0.074 0.000 2.346 157 L HA 0.880 5.219 4.340 -0.002 0.000 0.276 157 L C -1.326 175.629 176.870 0.142 0.000 1.006 157 L CA -0.563 54.328 54.840 0.086 0.000 0.817 157 L CB 1.654 43.756 42.059 0.073 0.000 1.272 157 L HN 0.439 nan 8.230 nan 0.000 0.421 158 V N 5.255 125.264 119.914 0.158 0.000 2.540 158 V HA 0.378 4.497 4.120 -0.002 0.000 0.302 158 V C -1.197 175.091 176.094 0.323 0.000 1.035 158 V CA -0.483 61.963 62.300 0.243 0.000 0.873 158 V CB 1.526 33.443 31.823 0.156 0.000 0.992 158 V HN 0.745 nan 8.190 nan 0.000 0.428 159 Y N 3.810 124.259 120.300 0.248 0.000 2.328 159 Y HA 0.353 4.902 4.550 -0.002 0.000 0.336 159 Y C 1.401 177.489 175.900 0.313 0.000 0.960 159 Y CA -0.219 58.001 58.100 0.201 0.000 1.134 159 Y CB 2.228 40.785 38.460 0.162 0.000 1.166 159 Y HN 0.745 nan 8.280 nan 0.000 0.464 160 S N 4.133 119.856 115.700 0.038 0.000 2.406 160 S HA 0.212 4.681 4.470 -0.002 0.000 0.228 160 S C 1.221 175.508 174.600 -0.522 0.000 1.020 160 S CA 0.748 58.819 58.200 -0.214 0.000 0.965 160 S CB -0.713 62.278 63.200 -0.349 0.000 0.798 160 S HN 1.503 nan 8.310 nan 0.000 0.488 161 G N 1.411 109.626 108.800 -0.976 0.000 2.569 161 G HA2 -0.211 3.748 3.960 -0.002 0.000 0.259 161 G HA3 -0.211 3.748 3.960 -0.002 0.000 0.259 161 G C -1.190 173.458 174.900 -0.421 0.000 1.263 161 G CA 0.130 44.847 45.100 -0.639 0.000 0.928 161 G HN 0.496 nan 8.290 nan 0.000 0.572 162 D N 1.238 121.329 120.400 -0.515 0.000 2.359 162 D HA 0.527 5.166 4.640 -0.002 0.000 0.230 162 D C 1.022 176.890 176.300 -0.719 0.000 1.118 162 D CA -0.495 53.080 54.000 -0.710 0.000 0.844 162 D CB 0.968 41.153 40.800 -1.024 0.000 1.059 162 D HN 0.355 nan 8.370 nan 0.000 0.493 163 L N 1.213 122.084 121.223 -0.586 0.000 2.475 163 L HA 0.540 4.879 4.340 -0.002 0.000 0.250 163 L C 1.341 178.045 176.870 -0.276 0.000 1.224 163 L CA 0.038 54.565 54.840 -0.522 0.000 0.821 163 L CB 0.305 41.953 42.059 -0.684 0.000 1.141 163 L HN 0.375 nan 8.230 nan 0.000 0.494 164 G N -0.610 108.083 108.800 -0.177 0.000 2.730 164 G HA2 0.240 4.199 3.960 -0.002 0.000 0.289 164 G HA3 0.240 4.199 3.960 -0.002 0.000 0.289 164 G C -0.775 174.087 174.900 -0.064 0.000 1.341 164 G CA -0.701 44.372 45.100 -0.045 0.000 0.932 164 G HN 0.643 nan 8.290 nan 0.000 0.481 165 N N -0.250 118.403 118.700 -0.079 0.000 2.402 165 N HA 0.074 4.813 4.740 -0.002 0.000 0.259 165 N C 1.770 177.212 175.510 -0.113 0.000 1.167 165 N CA -0.416 52.569 53.050 -0.109 0.000 0.949 165 N CB 0.390 38.740 38.487 -0.228 0.000 1.212 165 N HN 0.577 nan 8.380 nan 0.000 0.493 166 R N 2.561 123.030 120.500 -0.052 0.000 2.316 166 R HA -0.047 4.292 4.340 -0.002 0.000 0.202 166 R C 0.536 176.787 176.300 -0.081 0.000 1.029 166 R CA 0.970 57.036 56.100 -0.056 0.000 1.018 166 R CB 0.006 30.301 30.300 -0.008 0.000 0.888 166 R HN 0.592 nan 8.270 nan 0.000 0.471 167 E N 0.951 121.094 120.200 -0.095 0.000 2.481 167 E HA 0.025 4.374 4.350 -0.002 0.000 0.195 167 E C 0.003 176.413 176.600 -0.316 0.000 1.047 167 E CA 0.187 56.526 56.400 -0.101 0.000 0.867 167 E CB 0.337 30.038 29.700 0.002 0.000 0.858 167 E HN 0.384 nan 8.360 nan 0.000 0.513 168 K N 0.462 120.590 120.400 -0.452 0.000 2.386 168 K HA 0.059 4.378 4.320 -0.002 0.000 0.249 168 K C 0.291 176.477 176.600 -0.690 0.000 1.055 168 K CA -0.074 55.671 56.287 -0.904 0.000 0.930 168 K CB 0.394 32.574 32.500 -0.534 0.000 1.230 168 K HN -0.136 nan 8.250 nan 0.000 0.507 169 D N -0.783 119.255 120.400 -0.603 0.000 2.461 169 D HA 0.012 4.651 4.640 -0.002 0.000 0.266 169 D C 1.760 177.975 176.300 -0.141 0.000 1.085 169 D CA 0.276 54.126 54.000 -0.251 0.000 0.887 169 D CB 0.038 40.797 40.800 -0.069 0.000 1.309 169 D HN 0.093 nan 8.370 nan 0.000 0.498 170 V N 1.036 120.854 119.914 -0.160 0.000 2.343 170 V HA -0.103 4.016 4.120 -0.002 0.000 0.247 170 V C 0.754 176.882 176.094 0.057 0.000 1.051 170 V CA 1.133 63.359 62.300 -0.123 0.000 1.036 170 V CB -0.146 31.663 31.823 -0.024 0.000 0.654 170 V HN 0.070 nan 8.190 nan 0.000 0.451 171 L N 0.625 121.850 121.223 0.003 0.000 2.334 171 L HA 0.514 4.853 4.340 -0.002 0.000 0.272 171 L C -2.188 174.656 176.870 -0.044 0.000 1.020 171 L CA -2.623 52.219 54.840 0.004 0.000 0.812 171 L CB 0.922 42.942 42.059 -0.066 0.000 1.264 171 L HN 0.006 nan 8.230 nan 0.000 0.439 172 P HA 0.048 nan 4.420 nan 0.000 0.269 172 P C -0.848 176.407 177.300 -0.075 0.000 1.215 172 P CA -0.438 62.622 63.100 -0.066 0.000 0.780 172 P CB 0.619 32.262 31.700 -0.095 0.000 0.898 173 D N 2.257 122.623 120.400 -0.057 0.000 2.400 173 D HA 0.116 4.755 4.640 -0.002 0.000 0.238 173 D C -1.991 174.291 176.300 -0.029 0.000 1.157 173 D CA -0.486 53.491 54.000 -0.040 0.000 0.889 173 D CB -0.568 40.222 40.800 -0.016 0.000 1.199 173 D HN 0.259 nan 8.370 nan 0.000 0.436 174 P HA 0.083 nan 4.420 nan 0.000 0.275 174 P C -0.459 176.929 177.300 0.146 0.000 1.228 174 P CA -0.292 62.837 63.100 0.049 0.000 0.786 174 P CB 0.816 32.507 31.700 -0.015 0.000 0.927 175 S N 2.483 118.337 115.700 0.256 0.000 2.585 175 S HA 0.373 4.842 4.470 -0.002 0.000 0.277 175 S C -0.116 174.659 174.600 0.290 0.000 1.241 175 S CA -0.677 57.677 58.200 0.257 0.000 1.041 175 S CB -0.115 63.243 63.200 0.264 0.000 0.987 175 S HN 0.238 nan 8.310 nan 0.000 0.512 176 L N 5.222 126.494 121.223 0.082 0.000 2.426 176 L HA 0.383 4.722 4.340 -0.002 0.000 0.271 176 L C -1.603 175.100 176.870 -0.278 0.000 1.169 176 L CA -1.607 53.109 54.840 -0.206 0.000 0.836 176 L CB 0.521 42.475 42.059 -0.175 0.000 1.112 176 L HN 0.607 nan 8.230 nan 0.000 0.465 177 P HA 0.332 nan 4.420 nan 0.000 0.278 177 P C -2.671 174.460 177.300 -0.281 0.000 1.258 177 P CA -1.459 61.301 63.100 -0.567 0.000 0.811 177 P CB 0.464 31.429 31.700 -1.225 0.000 1.063 178 P HA 0.215 nan 4.420 nan 0.000 0.277 178 P C -0.422 176.828 177.300 -0.083 0.000 1.271 178 P CA -0.566 62.511 63.100 -0.038 0.000 0.795 178 P CB 0.520 32.257 31.700 0.062 0.000 1.101 179 L N 0.579 121.769 121.223 -0.054 0.000 2.462 179 L HA 0.419 4.758 4.340 -0.002 0.000 0.272 179 L C -0.178 176.675 176.870 -0.030 0.000 1.166 179 L CA 0.280 55.087 54.840 -0.056 0.000 0.880 179 L CB -0.688 41.348 42.059 -0.038 0.000 1.142 179 L HN 0.552 nan 8.230 nan 0.000 0.473 180 A N 3.951 126.749 122.820 -0.036 0.000 2.423 180 A HA 0.484 4.803 4.320 -0.002 0.000 0.304 180 A C 0.392 177.971 177.584 -0.008 0.000 1.104 180 A CA -0.536 51.497 52.037 -0.007 0.000 0.757 180 A CB 0.795 19.798 19.000 0.005 0.000 1.313 180 A HN 0.788 nan 8.150 nan 0.000 0.423 181 D N -0.588 119.813 120.400 0.003 0.000 2.249 181 D HA 0.068 4.707 4.640 -0.002 0.000 0.205 181 D C -0.137 176.164 176.300 0.001 0.000 0.962 181 D CA 1.253 55.252 54.000 -0.001 0.000 0.860 181 D CB 0.312 41.112 40.800 0.000 0.000 0.955 181 D HN 0.270 nan 8.370 nan 0.000 0.505 182 L N 0.409 121.638 121.223 0.010 0.000 2.445 182 L HA 0.380 4.719 4.340 -0.002 0.000 0.262 182 L C -1.620 175.269 176.870 0.033 0.000 0.974 182 L CA -0.781 54.068 54.840 0.014 0.000 0.822 182 L CB 2.580 44.643 42.059 0.008 0.000 1.339 182 L HN -0.344 nan 8.230 nan 0.000 0.409 183 V N 5.222 125.160 119.914 0.041 0.000 2.525 183 V HA 0.434 4.553 4.120 -0.002 0.000 0.299 183 V C -0.768 175.386 176.094 0.101 0.000 1.034 183 V CA -0.460 61.890 62.300 0.083 0.000 0.863 183 V CB 1.621 33.484 31.823 0.066 0.000 0.999 183 V HN 0.649 nan 8.190 nan 0.000 0.423 184 L N 5.250 126.557 121.223 0.140 0.000 2.288 184 L HA 0.793 5.132 4.340 -0.002 0.000 0.283 184 L C 0.452 177.454 176.870 0.220 0.000 1.072 184 L CA 0.294 55.197 54.840 0.106 0.000 0.862 184 L CB 0.489 42.530 42.059 -0.029 0.000 1.245 184 L HN 0.798 nan 8.230 nan 0.000 0.432 185 A N 4.029 126.943 122.820 0.156 0.000 2.320 185 A HA 0.696 5.015 4.320 -0.002 0.000 0.334 185 A C -0.289 177.347 177.584 0.086 0.000 1.147 185 A CA -0.678 51.435 52.037 0.128 0.000 0.820 185 A CB 0.752 19.842 19.000 0.150 0.000 1.218 185 A HN 0.727 nan 8.150 nan 0.000 0.482 186 E N 0.040 120.244 120.200 0.007 0.000 2.312 186 E HA 0.600 4.949 4.350 -0.002 0.000 0.259 186 E C 0.372 176.980 176.600 0.013 0.000 1.122 186 E CA -0.279 56.128 56.400 0.011 0.000 0.922 186 E CB 0.976 30.556 29.700 -0.200 0.000 1.109 186 E HN 0.703 nan 8.360 nan 0.000 0.442 187 G N 0.419 109.254 108.800 0.059 0.000 5.284 187 G HA2 0.018 3.977 3.960 -0.002 0.000 0.236 187 G HA3 0.018 3.977 3.960 -0.002 0.000 0.236 187 G C 0.584 175.511 174.900 0.045 0.000 0.870 187 G CA 0.173 45.303 45.100 0.049 0.000 0.724 187 G HN 0.490 nan 8.290 nan 0.000 0.336 188 T N 0.640 115.227 114.554 0.055 0.000 2.567 188 T HA -0.287 4.062 4.350 -0.002 0.000 0.261 188 T C 1.051 175.634 174.700 -0.196 0.000 1.123 188 T CA 1.684 63.737 62.100 -0.078 0.000 1.166 188 T CB -0.304 68.486 68.868 -0.130 0.000 0.860 188 T HN 0.348 nan 8.240 nan 0.000 0.436 189 Y N 0.939 121.209 120.300 -0.050 0.000 2.764 189 Y HA 0.549 5.098 4.550 -0.002 0.000 0.350 189 Y C 1.570 177.472 175.900 0.003 0.000 0.982 189 Y CA -1.107 56.980 58.100 -0.022 0.000 1.431 189 Y CB -0.052 38.427 38.460 0.032 0.000 1.326 189 Y HN 0.230 nan 8.280 nan 0.000 0.550 190 G N -0.304 108.556 108.800 0.100 0.000 2.920 190 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.208 190 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.208 190 G C 1.008 175.942 174.900 0.057 0.000 1.159 190 G CA 0.560 45.704 45.100 0.073 0.000 0.784 190 G HN 0.475 nan 8.290 nan 0.000 0.535 191 D N -0.020 120.416 120.400 0.059 0.000 2.327 191 D HA 0.084 4.723 4.640 -0.002 0.000 0.205 191 D C 0.993 177.328 176.300 0.059 0.000 0.989 191 D CA -0.006 54.024 54.000 0.049 0.000 0.873 191 D CB 0.196 41.019 40.800 0.038 0.000 0.955 191 D HN 0.431 nan 8.370 nan 0.000 0.515 192 R N -1.947 118.602 120.500 0.081 0.000 2.644 192 R HA 0.529 4.868 4.340 -0.002 0.000 0.257 192 R C -3.192 173.144 176.300 0.059 0.000 1.082 192 R CA -1.384 54.756 56.100 0.067 0.000 0.927 192 R CB -0.271 30.077 30.300 0.080 0.000 1.258 192 R HN -0.267 nan 8.270 nan 0.000 0.459 193 P HA 0.086 nan 4.420 nan 0.000 0.282 193 P C -0.835 176.420 177.300 -0.075 0.000 1.273 193 P CA 0.158 63.167 63.100 -0.151 0.000 0.809 193 P CB 0.163 31.768 31.700 -0.159 0.000 1.246 194 H N -3.530 115.574 119.070 0.057 0.000 2.941 194 H HA 0.575 5.130 4.556 -0.002 0.000 0.344 194 H C -0.643 174.725 175.328 0.066 0.000 1.235 194 H CA -1.270 54.814 56.048 0.061 0.000 1.149 194 H CB 0.554 30.331 29.762 0.025 0.000 1.885 194 H HN 0.122 nan 8.280 nan 0.000 0.558 195 R N 0.190 120.867 120.500 0.294 0.000 2.340 195 R HA 0.327 4.666 4.340 -0.002 0.000 0.300 195 R C -2.798 173.619 176.300 0.194 0.000 1.069 195 R CA -1.917 54.305 56.100 0.203 0.000 0.984 195 R CB -0.208 30.182 30.300 0.150 0.000 1.003 195 R HN 0.439 nan 8.270 nan 0.000 0.459 196 P HA -0.161 nan 4.420 nan 0.000 0.259 196 P C 0.195 177.554 177.300 0.099 0.000 1.155 196 P CA 0.462 63.648 63.100 0.143 0.000 0.759 196 P CB -0.005 31.760 31.700 0.108 0.000 0.753 197 Y N 5.688 125.963 120.300 -0.042 0.000 2.241 197 Y HA -0.304 4.245 4.550 -0.002 0.000 0.286 197 Y C 2.079 177.926 175.900 -0.088 0.000 1.166 197 Y CA 1.586 59.611 58.100 -0.125 0.000 1.203 197 Y CB -0.067 38.291 38.460 -0.169 0.000 0.977 197 Y HN 0.257 nan 8.280 nan 0.000 0.529 198 R N 0.460 120.992 120.500 0.054 0.000 2.109 198 R HA -0.238 4.101 4.340 -0.002 0.000 0.227 198 R C 2.377 178.635 176.300 -0.070 0.000 1.132 198 R CA 2.178 58.282 56.100 0.006 0.000 0.907 198 R CB -0.809 29.535 30.300 0.074 0.000 0.825 198 R HN 0.641 nan 8.270 nan 0.000 0.432 199 E N 0.375 120.566 120.200 -0.014 0.000 2.171 199 E HA -0.195 4.154 4.350 -0.002 0.000 0.197 199 E C 1.566 178.153 176.600 -0.021 0.000 0.997 199 E CA 1.864 58.261 56.400 -0.005 0.000 0.810 199 E CB -0.451 29.266 29.700 0.028 0.000 0.738 199 E HN 0.246 nan 8.360 nan 0.000 0.467 200 T N 0.760 115.277 114.554 -0.062 0.000 2.821 200 T HA -0.077 4.272 4.350 -0.002 0.000 0.267 200 T C 2.024 176.719 174.700 -0.008 0.000 1.046 200 T CA 1.278 63.365 62.100 -0.020 0.000 1.139 200 T CB -0.106 68.729 68.868 -0.055 0.000 0.871 200 T HN 0.068 nan 8.240 nan 0.000 0.454 201 V N 1.323 121.096 119.914 -0.236 0.000 2.379 201 V HA -0.077 4.042 4.120 -0.002 0.000 0.245 201 V C 2.624 178.701 176.094 -0.028 0.000 1.044 201 V CA 1.303 63.509 62.300 -0.157 0.000 1.036 201 V CB -0.526 31.063 31.823 -0.390 0.000 0.664 201 V HN 0.351 nan 8.190 nan 0.000 0.453 202 R N 0.022 120.478 120.500 -0.073 0.000 2.117 202 R HA -0.245 4.094 4.340 -0.002 0.000 0.243 202 R C 2.334 178.612 176.300 -0.036 0.000 1.143 202 R CA 1.929 57.992 56.100 -0.062 0.000 0.968 202 R CB -0.276 30.004 30.300 -0.033 0.000 0.863 202 R HN 0.645 nan 8.270 nan 0.000 0.444 203 E N -0.000 120.203 120.200 0.005 0.000 2.208 203 E HA -0.161 4.188 4.350 -0.002 0.000 0.193 203 E C 1.648 178.248 176.600 0.001 0.000 0.988 203 E CA 0.470 56.864 56.400 -0.009 0.000 0.828 203 E CB -0.040 29.669 29.700 0.016 0.000 0.763 203 E HN 0.299 nan 8.360 nan 0.000 0.478 204 F N 0.963 120.881 119.950 -0.053 0.000 2.134 204 F HA -0.143 4.383 4.527 -0.001 0.000 0.299 204 F C 1.768 177.517 175.800 -0.085 0.000 1.097 204 F CA 1.209 59.187 58.000 -0.037 0.000 1.264 204 F CB 0.106 39.170 39.000 0.106 0.000 1.001 204 F HN -0.007 nan 8.300 nan 0.000 0.479 205 L N -0.062 121.056 121.223 -0.175 0.000 2.095 205 L HA -0.133 4.206 4.340 -0.002 0.000 0.204 205 L C 2.288 179.011 176.870 -0.244 0.000 1.080 205 L CA 1.278 55.952 54.840 -0.277 0.000 0.759 205 L CB -0.845 41.083 42.059 -0.218 0.000 0.914 205 L HN 0.104 nan 8.230 nan 0.000 0.439 206 E N 0.450 120.544 120.200 -0.176 0.000 2.171 206 E HA -0.230 4.119 4.350 -0.002 0.000 0.197 206 E C 2.207 178.693 176.600 -0.190 0.000 0.997 206 E CA 1.244 57.553 56.400 -0.151 0.000 0.810 206 E CB -0.058 29.575 29.700 -0.112 0.000 0.738 206 E HN 0.521 nan 8.360 nan 0.000 0.467 207 I N 0.379 120.795 120.570 -0.257 0.000 2.480 207 I HA -0.189 3.980 4.170 -0.002 0.000 0.251 207 I C 2.171 178.123 176.117 -0.275 0.000 1.124 207 I CA 0.556 61.680 61.300 -0.294 0.000 1.444 207 I CB -0.023 37.750 38.000 -0.379 0.000 1.098 207 I HN 0.101 nan 8.210 nan 0.000 0.428 208 L N 0.472 121.475 121.223 -0.367 0.000 2.141 208 L HA -0.175 4.164 4.340 -0.002 0.000 0.209 208 L C 2.427 179.172 176.870 -0.208 0.000 1.094 208 L CA 1.407 56.047 54.840 -0.333 0.000 0.763 208 L CB -0.377 41.406 42.059 -0.461 0.000 0.908 208 L HN 0.267 nan 8.230 nan 0.000 0.437 209 E N 0.095 120.182 120.200 -0.188 0.000 2.021 209 E HA -0.240 4.109 4.350 -0.002 0.000 0.189 209 E C 2.041 178.578 176.600 -0.104 0.000 0.980 209 E CA 0.862 57.183 56.400 -0.132 0.000 0.803 209 E CB -0.065 29.562 29.700 -0.122 0.000 0.766 209 E HN 0.268 nan 8.360 nan 0.000 0.449 210 K N 0.641 120.977 120.400 -0.105 0.000 2.280 210 K HA -0.111 4.208 4.320 -0.002 0.000 0.202 210 K C 1.643 178.203 176.600 -0.068 0.000 1.047 210 K CA 1.372 57.612 56.287 -0.077 0.000 0.942 210 K CB 0.113 32.568 32.500 -0.075 0.000 0.739 210 K HN 0.015 nan 8.250 nan 0.000 0.457 211 T N 0.680 115.182 114.554 -0.086 0.000 3.009 211 T HA 0.096 4.445 4.350 -0.002 0.000 0.258 211 T C 1.448 176.110 174.700 -0.063 0.000 1.063 211 T CA 0.453 62.512 62.100 -0.068 0.000 1.139 211 T CB 0.166 68.985 68.868 -0.081 0.000 0.890 211 T HN 0.144 nan 8.240 nan 0.000 0.471 212 L N 0.830 122.008 121.223 -0.074 0.000 2.509 212 L HA 0.160 4.499 4.340 -0.002 0.000 0.222 212 L C 2.292 179.134 176.870 -0.048 0.000 1.123 212 L CA 0.350 55.155 54.840 -0.058 0.000 0.856 212 L CB -0.282 41.739 42.059 -0.064 0.000 0.985 212 L HN 0.194 nan 8.230 nan 0.000 0.456 213 S N 0.249 115.918 115.700 -0.051 0.000 2.481 213 S HA -0.124 4.345 4.470 -0.002 0.000 0.231 213 S C 1.335 175.915 174.600 -0.032 0.000 0.996 213 S CA 0.792 58.967 58.200 -0.041 0.000 0.942 213 S CB -0.081 63.093 63.200 -0.044 0.000 0.768 213 S HN 0.596 nan 8.310 nan 0.000 0.520 214 Q N -0.335 119.446 119.800 -0.032 0.000 2.155 214 Q HA 0.472 4.811 4.340 -0.002 0.000 0.273 214 Q C 0.796 176.782 176.000 -0.024 0.000 0.857 214 Q CA 0.130 55.918 55.803 -0.025 0.000 1.116 214 Q CB 0.116 28.840 28.738 -0.023 0.000 1.209 214 Q HN 0.239 nan 8.270 nan 0.000 0.460 215 G N 0.498 109.283 108.800 -0.025 0.000 2.200 215 G HA2 -0.369 3.590 3.960 -0.002 0.000 0.268 215 G HA3 -0.369 3.590 3.960 -0.002 0.000 0.268 215 G C 0.561 175.445 174.900 -0.027 0.000 0.986 215 G CA 0.243 45.329 45.100 -0.023 0.000 0.677 215 G HN 0.736 nan 8.290 nan 0.000 0.532 216 G N -0.737 108.044 108.800 -0.031 0.000 2.712 216 G HA2 0.458 4.417 3.960 -0.002 0.000 0.258 216 G HA3 0.458 4.417 3.960 -0.002 0.000 0.258 216 G C 0.175 175.049 174.900 -0.043 0.000 1.241 216 G CA 0.026 45.105 45.100 -0.034 0.000 0.923 216 G HN 0.547 nan 8.290 nan 0.000 0.548 217 K N -1.323 119.049 120.400 -0.047 0.000 2.156 217 K HA 0.525 4.844 4.320 -0.002 0.000 0.254 217 K C -1.056 175.503 176.600 -0.068 0.000 0.950 217 K CA -0.713 55.537 56.287 -0.063 0.000 0.849 217 K CB 2.624 35.084 32.500 -0.066 0.000 1.100 217 K HN 0.135 nan 8.250 nan 0.000 0.434 218 V N 3.862 123.728 119.914 -0.079 0.000 2.284 218 V HA 0.184 4.303 4.120 -0.002 0.000 0.274 218 V C -0.950 175.092 176.094 -0.085 0.000 1.023 218 V CA -0.818 61.434 62.300 -0.080 0.000 0.808 218 V CB 0.570 32.342 31.823 -0.085 0.000 1.035 218 V HN 0.516 nan 8.190 nan 0.000 0.445 219 L N 6.292 127.459 121.223 -0.093 0.000 2.278 219 L HA 0.479 4.818 4.340 -0.002 0.000 0.287 219 L C -0.059 176.766 176.870 -0.074 0.000 1.072 219 L CA 0.435 55.210 54.840 -0.108 0.000 0.819 219 L CB 0.778 42.781 42.059 -0.094 0.000 1.176 219 L HN 0.460 nan 8.230 nan 0.000 0.435 220 I N 6.495 127.038 120.570 -0.045 0.000 2.437 220 I HA 0.278 4.447 4.170 -0.002 0.000 0.279 220 I C -2.183 173.934 176.117 -0.001 0.000 1.028 220 I CA -1.661 59.636 61.300 -0.005 0.000 1.142 220 I CB 1.867 39.899 38.000 0.052 0.000 1.266 220 I HN 0.398 nan 8.210 nan 0.000 0.461 221 P HA 0.140 nan 4.420 nan 0.000 0.279 221 P C -0.454 176.816 177.300 -0.050 0.000 1.318 221 P CA 0.067 63.163 63.100 -0.006 0.000 0.819 221 P CB 0.559 32.285 31.700 0.043 0.000 0.927 222 T N 0.476 114.986 114.554 -0.073 0.000 2.916 222 T HA 0.628 4.977 4.350 -0.002 0.000 0.292 222 T C -0.287 174.337 174.700 -0.127 0.000 1.064 222 T CA -0.746 61.325 62.100 -0.048 0.000 1.011 222 T CB 0.826 69.733 68.868 0.065 0.000 1.152 222 T HN -0.037 nan 8.240 nan 0.000 0.510 223 F N 0.882 120.877 119.950 0.076 0.000 2.410 223 F HA 0.564 5.089 4.527 -0.002 0.000 0.348 223 F C 1.546 177.384 175.800 0.063 0.000 1.106 223 F CA -1.161 56.886 58.000 0.078 0.000 1.163 223 F CB 0.780 39.836 39.000 0.093 0.000 1.129 223 F HN 0.853 nan 8.300 nan 0.000 0.516 224 A N 2.741 125.683 122.820 0.204 0.000 2.263 224 A HA 0.140 4.459 4.320 -0.002 0.000 0.205 224 A C 1.296 178.950 177.584 0.118 0.000 1.226 224 A CA 0.855 52.965 52.037 0.123 0.000 0.810 224 A CB -0.796 18.260 19.000 0.093 0.000 0.784 224 A HN 0.629 nan 8.150 nan 0.000 0.486 225 V N -1.243 118.780 119.914 0.183 0.000 2.868 225 V HA 0.030 4.149 4.120 -0.002 0.000 0.227 225 V C 2.242 178.404 176.094 0.115 0.000 1.136 225 V CA 1.416 63.810 62.300 0.158 0.000 1.206 225 V CB -0.254 31.716 31.823 0.246 0.000 0.997 225 V HN 0.588 nan 8.190 nan 0.000 0.505 226 E N 0.194 120.476 120.200 0.138 0.000 2.052 226 E HA -0.030 4.319 4.350 -0.002 0.000 0.192 226 E C 2.279 178.930 176.600 0.085 0.000 0.958 226 E CA 0.619 57.074 56.400 0.090 0.000 0.835 226 E CB -0.291 29.410 29.700 0.002 0.000 0.811 226 E HN 0.109 nan 8.360 nan 0.000 0.462 227 R N 1.027 121.614 120.500 0.145 0.000 2.248 227 R HA -0.294 4.045 4.340 -0.002 0.000 0.236 227 R C 2.277 178.650 176.300 0.121 0.000 1.111 227 R CA 1.976 58.187 56.100 0.184 0.000 0.894 227 R CB -1.757 28.734 30.300 0.318 0.000 0.905 227 R HN 0.411 nan 8.270 nan 0.000 0.426 228 A N 1.216 124.093 122.820 0.095 0.000 1.894 228 A HA -0.323 3.996 4.320 -0.002 0.000 0.220 228 A C 2.241 179.818 177.584 -0.011 0.000 1.237 228 A CA 2.700 54.761 52.037 0.040 0.000 0.660 228 A CB -0.736 18.272 19.000 0.013 0.000 0.835 228 A HN 0.475 nan 8.150 nan 0.000 0.461 229 Q N -0.853 118.850 119.800 -0.161 0.000 2.170 229 Q HA -0.110 4.229 4.340 -0.002 0.000 0.203 229 Q C 1.970 177.952 176.000 -0.029 0.000 0.976 229 Q CA 1.673 57.272 55.803 -0.340 0.000 0.858 229 Q CB -0.315 27.754 28.738 -1.116 0.000 0.907 229 Q HN 0.889 nan 8.270 nan 0.000 0.433 230 E N 0.042 120.292 120.200 0.083 0.000 2.028 230 E HA -0.156 4.193 4.350 -0.002 0.000 0.191 230 E C 1.639 178.460 176.600 0.369 0.000 0.988 230 E CA 0.814 57.382 56.400 0.279 0.000 0.799 230 E CB 0.041 29.885 29.700 0.241 0.000 0.755 230 E HN 0.218 nan 8.360 nan 0.000 0.447 231 I N 1.442 122.168 120.570 0.259 0.000 2.248 231 I HA -0.259 3.910 4.170 -0.002 0.000 0.248 231 I C 2.003 178.283 176.117 0.271 0.000 1.107 231 I CA 1.233 62.658 61.300 0.207 0.000 1.373 231 I CB -0.852 37.200 38.000 0.087 0.000 1.055 231 I HN 0.272 nan 8.210 nan 0.000 0.418 232 L N -0.835 120.546 121.223 0.262 0.000 2.747 232 L HA -0.119 4.220 4.340 -0.002 0.000 0.248 232 L C 1.507 178.610 176.870 0.387 0.000 1.191 232 L CA 0.310 55.311 54.840 0.268 0.000 1.003 232 L CB -0.599 41.569 42.059 0.183 0.000 1.235 232 L HN 0.269 nan 8.230 nan 0.000 0.426 233 Y N -2.047 118.415 120.300 0.270 0.000 2.619 233 Y HA 0.077 4.627 4.550 -0.001 0.000 0.273 233 Y C 1.809 177.837 175.900 0.213 0.000 1.175 233 Y CA 0.216 58.429 58.100 0.188 0.000 1.157 233 Y CB 0.387 38.995 38.460 0.246 0.000 1.329 233 Y HN -0.143 nan 8.280 nan 0.000 0.503 234 V N 3.212 123.315 119.914 0.314 0.000 2.759 234 V HA -0.256 3.863 4.120 -0.002 0.000 0.256 234 V C 2.239 178.548 176.094 0.357 0.000 1.080 234 V CA 2.027 64.515 62.300 0.313 0.000 1.101 234 V CB -0.836 31.181 31.823 0.325 0.000 0.698 234 V HN 0.604 nan 8.190 nan 0.000 0.477 235 L N -2.048 119.367 121.223 0.320 0.000 2.249 235 L HA 0.010 4.349 4.340 -0.002 0.000 0.207 235 L C 2.514 179.481 176.870 0.162 0.000 1.090 235 L CA 1.465 56.472 54.840 0.278 0.000 0.802 235 L CB -0.916 41.305 42.059 0.269 0.000 0.947 235 L HN 0.293 nan 8.230 nan 0.000 0.453 236 Y N 2.833 123.123 120.300 -0.017 0.000 2.242 236 Y HA -0.176 4.374 4.550 -0.001 0.000 0.291 236 Y C 2.450 178.245 175.900 -0.174 0.000 1.137 236 Y CA 2.059 60.097 58.100 -0.104 0.000 1.181 236 Y CB -0.216 38.141 38.460 -0.170 0.000 0.989 236 Y HN 0.377 nan 8.280 nan 0.000 0.527 237 T N -2.719 111.737 114.554 -0.162 0.000 3.272 237 T HA 0.093 4.442 4.350 -0.002 0.000 0.250 237 T C 0.241 174.672 174.700 -0.448 0.000 1.082 237 T CA 0.339 62.240 62.100 -0.332 0.000 0.968 237 T CB -0.399 68.180 68.868 -0.483 0.000 1.015 237 T HN 0.502 nan 8.240 nan 0.000 0.563 238 H N -1.049 117.991 119.070 -0.051 0.000 3.359 238 H HA 0.302 4.857 4.556 -0.002 0.000 0.258 238 H C 1.651 176.920 175.328 -0.099 0.000 1.164 238 H CA -0.024 56.017 56.048 -0.011 0.000 1.008 238 H CB 0.374 30.152 29.762 0.026 0.000 2.548 238 H HN 0.468 nan 8.280 nan 0.000 0.733 239 G N 0.143 108.917 108.800 -0.043 0.000 2.920 239 G HA2 -0.175 3.784 3.960 -0.002 0.000 0.208 239 G HA3 -0.175 3.784 3.960 -0.002 0.000 0.208 239 G C 1.350 176.195 174.900 -0.090 0.000 1.159 239 G CA 0.541 45.593 45.100 -0.080 0.000 0.784 239 G HN 0.492 nan 8.290 nan 0.000 0.535 240 H N 0.571 119.595 119.070 -0.077 0.000 2.495 240 H HA 0.073 4.627 4.556 -0.002 0.000 0.287 240 H C 2.268 177.577 175.328 -0.032 0.000 1.033 240 H CA 1.452 57.460 56.048 -0.066 0.000 1.307 240 H CB -0.023 29.695 29.762 -0.073 0.000 1.401 240 H HN 0.462 nan 8.280 nan 0.000 0.555 241 R N 0.536 120.578 120.500 -0.763 0.000 2.144 241 R HA 0.251 4.590 4.340 -0.002 0.000 0.195 241 R C 0.435 176.587 176.300 -0.247 0.000 1.077 241 R CA -0.186 55.593 56.100 -0.536 0.000 1.120 241 R CB -0.253 29.647 30.300 -0.667 0.000 1.060 241 R HN 0.103 nan 8.270 nan 0.000 0.520 242 L N 5.087 126.184 121.223 -0.211 0.000 2.720 242 L HA 0.030 4.369 4.340 -0.002 0.000 0.289 242 L C -1.730 175.079 176.870 -0.101 0.000 1.232 242 L CA -1.073 53.686 54.840 -0.136 0.000 0.915 242 L CB -0.229 41.769 42.059 -0.101 0.000 1.184 242 L HN 0.192 nan 8.230 nan 0.000 0.491 243 P HA -0.012 nan 4.420 nan 0.000 0.265 243 P C -0.469 176.803 177.300 -0.046 0.000 1.193 243 P CA -0.308 62.755 63.100 -0.063 0.000 0.765 243 P CB 0.381 32.045 31.700 -0.061 0.000 0.823 244 R N 1.785 122.264 120.500 -0.035 0.000 2.523 244 R HA 0.350 4.689 4.340 -0.002 0.000 0.281 244 R C 0.487 176.779 176.300 -0.012 0.000 0.969 244 R CA 0.579 56.666 56.100 -0.022 0.000 1.093 244 R CB -1.038 29.252 30.300 -0.017 0.000 0.917 244 R HN 0.738 nan 8.270 nan 0.000 0.408 245 A N 4.503 127.322 122.820 -0.002 0.000 2.571 245 A HA 0.382 4.701 4.320 -0.002 0.000 0.296 245 A C -2.738 174.866 177.584 0.034 0.000 1.005 245 A CA -1.219 50.830 52.037 0.020 0.000 0.682 245 A CB 1.187 20.196 19.000 0.014 0.000 1.292 245 A HN 0.510 nan 8.150 nan 0.000 0.420 246 P HA 0.544 nan 4.420 nan 0.000 0.275 246 P C -0.843 176.500 177.300 0.071 0.000 1.227 246 P CA 0.099 63.222 63.100 0.037 0.000 0.781 246 P CB 0.583 32.344 31.700 0.102 0.000 0.906 247 I N 3.488 124.022 120.570 -0.059 0.000 2.330 247 I HA 0.233 4.402 4.170 -0.002 0.000 0.289 247 I C -0.200 175.855 176.117 -0.103 0.000 1.001 247 I CA -0.869 60.440 61.300 0.014 0.000 1.193 247 I CB 0.433 38.449 38.000 0.028 0.000 1.345 247 I HN 0.250 nan 8.210 nan 0.000 0.461 248 Y N 6.222 126.531 120.300 0.015 0.000 2.320 248 Y HA 0.398 4.947 4.550 -0.002 0.000 0.334 248 Y C -0.105 175.808 175.900 0.022 0.000 1.055 248 Y CA -0.773 57.337 58.100 0.016 0.000 1.143 248 Y CB 1.454 39.913 38.460 -0.002 0.000 1.193 248 Y HN 0.401 nan 8.280 nan 0.000 0.477 249 L N 4.560 125.858 121.223 0.125 0.000 2.426 249 L HA 0.353 4.692 4.340 -0.002 0.000 0.255 249 L C -0.455 176.485 176.870 0.117 0.000 1.080 249 L CA -0.299 54.599 54.840 0.096 0.000 0.960 249 L CB -0.014 42.075 42.059 0.051 0.000 1.326 249 L HN 0.513 nan 8.230 nan 0.000 0.441 250 D N 2.326 122.810 120.400 0.141 0.000 2.545 250 D HA 0.229 4.868 4.640 -0.002 0.000 0.227 250 D C -0.744 175.625 176.300 0.114 0.000 1.150 250 D CA 0.619 54.711 54.000 0.154 0.000 1.046 250 D CB 0.183 41.106 40.800 0.206 0.000 1.098 250 D HN 0.391 nan 8.370 nan 0.000 0.502 251 S N 2.667 118.419 115.700 0.087 0.000 2.482 251 S HA 0.233 4.702 4.470 -0.002 0.000 0.295 251 S C -2.355 172.272 174.600 0.045 0.000 1.038 251 S CA -0.840 57.398 58.200 0.064 0.000 0.968 251 S CB 1.291 64.525 63.200 0.056 0.000 1.182 251 S HN -0.020 nan 8.310 nan 0.000 0.441 252 P HA -0.006 nan 4.420 nan 0.000 0.219 252 P C 1.525 178.833 177.300 0.015 0.000 1.150 252 P CA 0.632 63.740 63.100 0.014 0.000 0.814 252 P CB 0.114 31.812 31.700 -0.004 0.000 0.787 253 M N -0.701 118.914 119.600 0.025 0.000 2.193 253 M HA 0.003 4.482 4.480 -0.002 0.000 0.265 253 M C 1.916 178.228 176.300 0.020 0.000 1.071 253 M CA 1.565 56.882 55.300 0.029 0.000 1.140 253 M CB -0.396 32.232 32.600 0.046 0.000 1.369 253 M HN -0.147 nan 8.290 nan 0.000 0.423 254 A N 0.152 122.984 122.820 0.020 0.000 2.084 254 A HA -0.093 4.226 4.320 -0.002 0.000 0.221 254 A C 2.121 179.684 177.584 -0.035 0.000 1.161 254 A CA 1.826 53.858 52.037 -0.008 0.000 0.653 254 A CB -1.472 17.531 19.000 0.006 0.000 0.802 254 A HN 0.685 nan 8.150 nan 0.000 0.457 255 G N -1.052 107.743 108.800 -0.008 0.000 2.426 255 G HA2 -0.091 3.868 3.960 -0.002 0.000 0.214 255 G HA3 -0.091 3.868 3.960 -0.002 0.000 0.214 255 G C 1.732 176.631 174.900 -0.003 0.000 1.156 255 G CA 0.583 45.679 45.100 -0.007 0.000 0.802 255 G HN 0.532 nan 8.290 nan 0.000 0.534 256 R N -0.187 120.316 120.500 0.006 0.000 2.092 256 R HA 0.012 4.351 4.340 -0.002 0.000 0.231 256 R C 2.643 178.956 176.300 0.023 0.000 1.119 256 R CA 0.981 57.091 56.100 0.018 0.000 0.970 256 R CB -0.345 29.968 30.300 0.021 0.000 0.864 256 R HN 0.272 nan 8.270 nan 0.000 0.440 257 V N 1.091 121.007 119.914 0.003 0.000 2.307 257 V HA -0.223 3.896 4.120 -0.002 0.000 0.245 257 V C 2.127 178.192 176.094 -0.048 0.000 1.045 257 V CA 1.443 63.744 62.300 0.001 0.000 1.024 257 V CB -0.416 31.380 31.823 -0.045 0.000 0.651 257 V HN 0.238 nan 8.190 nan 0.000 0.449 258 L N 0.197 121.333 121.223 -0.145 0.000 2.131 258 L HA -0.125 4.214 4.340 -0.002 0.000 0.210 258 L C 2.449 179.336 176.870 0.027 0.000 1.092 258 L CA 1.959 56.696 54.840 -0.171 0.000 0.759 258 L CB -0.558 41.422 42.059 -0.130 0.000 0.903 258 L HN 0.281 nan 8.230 nan 0.000 0.435 259 S N -0.926 114.804 115.700 0.049 0.000 2.447 259 S HA -0.092 4.377 4.470 -0.002 0.000 0.233 259 S C 1.682 176.358 174.600 0.127 0.000 1.006 259 S CA 1.142 59.393 58.200 0.086 0.000 0.957 259 S CB -0.261 62.975 63.200 0.060 0.000 0.773 259 S HN 0.390 nan 8.310 nan 0.000 0.507 260 L N 0.291 121.602 121.223 0.145 0.000 2.168 260 L HA 0.227 4.566 4.340 -0.002 0.000 0.203 260 L C 1.671 178.697 176.870 0.260 0.000 1.078 260 L CA 1.353 56.293 54.840 0.167 0.000 0.780 260 L CB -0.893 41.249 42.059 0.138 0.000 0.939 260 L HN 0.261 nan 8.230 nan 0.000 0.451 261 Y N 0.498 120.859 120.300 0.100 0.000 2.144 261 Y HA -0.334 4.215 4.550 -0.002 0.000 0.277 261 Y C -0.330 175.732 175.900 0.270 0.000 1.229 261 Y CA 1.989 60.208 58.100 0.198 0.000 1.144 261 Y CB -1.502 36.976 38.460 0.029 0.000 0.953 261 Y HN 0.295 nan 8.280 nan 0.000 0.515 262 P HA -0.149 nan 4.420 nan 0.000 0.221 262 P C 0.623 177.955 177.300 0.054 0.000 1.145 262 P CA 1.756 65.007 63.100 0.252 0.000 0.795 262 P CB -0.003 31.904 31.700 0.345 0.000 0.775 263 R N -1.501 119.054 120.500 0.092 0.000 2.317 263 R HA 0.156 4.495 4.340 -0.002 0.000 0.208 263 R C 0.269 176.594 176.300 0.042 0.000 0.914 263 R CA 0.292 56.421 56.100 0.049 0.000 1.060 263 R CB -0.070 30.265 30.300 0.059 0.000 1.015 263 R HN 0.125 nan 8.270 nan 0.000 0.498 264 L N 0.135 121.391 121.223 0.055 0.000 3.017 264 L HA 0.126 4.465 4.340 -0.002 0.000 0.255 264 L C 1.383 178.241 176.870 -0.020 0.000 1.247 264 L CA 0.206 55.081 54.840 0.059 0.000 1.038 264 L CB 0.522 42.476 42.059 -0.175 0.000 1.380 264 L HN -0.072 nan 8.230 nan 0.000 0.548 265 V N 1.521 121.398 119.914 -0.061 0.000 2.324 265 V HA -0.294 3.825 4.120 -0.002 0.000 0.250 265 V C 2.651 178.697 176.094 -0.081 0.000 1.060 265 V CA 2.344 64.559 62.300 -0.140 0.000 1.042 265 V CB -0.159 31.420 31.823 -0.408 0.000 0.650 265 V HN 0.775 nan 8.190 nan 0.000 0.450 266 R N -1.675 118.698 120.500 -0.212 0.000 2.280 266 R HA -0.111 4.228 4.340 -0.002 0.000 0.207 266 R C 1.683 177.736 176.300 -0.413 0.000 1.043 266 R CA 1.695 57.609 56.100 -0.309 0.000 1.006 266 R CB -0.668 29.388 30.300 -0.407 0.000 0.885 266 R HN 0.591 nan 8.270 nan 0.000 0.467 267 Y N 0.020 120.102 120.300 -0.364 0.000 2.466 267 Y HA 0.263 4.812 4.550 -0.002 0.000 0.272 267 Y C 0.141 175.667 175.900 -0.622 0.000 1.169 267 Y CA -0.389 57.419 58.100 -0.486 0.000 1.285 267 Y CB 0.159 38.243 38.460 -0.627 0.000 1.078 267 Y HN -0.117 nan 8.280 nan 0.000 0.523 268 F N -0.795 119.131 119.950 -0.040 0.000 2.461 268 F HA 0.391 4.917 4.527 -0.001 0.000 0.332 268 F C 1.025 176.793 175.800 -0.052 0.000 1.073 268 F CA -1.810 56.156 58.000 -0.056 0.000 1.017 268 F CB 0.354 39.342 39.000 -0.020 0.000 1.301 268 F HN -0.262 nan 8.300 nan 0.000 0.492 269 S N 0.154 115.956 115.700 0.170 0.000 2.580 269 S HA 0.025 4.494 4.470 -0.002 0.000 0.261 269 S C 0.896 175.549 174.600 0.088 0.000 1.366 269 S CA -0.497 57.745 58.200 0.070 0.000 0.996 269 S CB 0.530 63.751 63.200 0.033 0.000 0.902 269 S HN 0.591 nan 8.310 nan 0.000 0.566 270 E N 0.785 121.020 120.200 0.059 0.000 2.072 270 E HA -0.164 4.185 4.350 -0.002 0.000 0.191 270 E C 1.955 178.625 176.600 0.117 0.000 0.985 270 E CA 1.397 57.840 56.400 0.071 0.000 0.801 270 E CB -0.604 29.123 29.700 0.044 0.000 0.750 270 E HN 0.922 nan 8.360 nan 0.000 0.452 271 E N 0.966 121.238 120.200 0.121 0.000 2.070 271 E HA -0.169 4.180 4.350 -0.002 0.000 0.197 271 E C 2.087 178.847 176.600 0.267 0.000 1.004 271 E CA 1.603 58.118 56.400 0.193 0.000 0.805 271 E CB 0.142 29.940 29.700 0.164 0.000 0.744 271 E HN 0.033 nan 8.360 nan 0.000 0.451 272 V N 1.258 121.253 119.914 0.135 0.000 2.490 272 V HA -0.245 3.874 4.120 -0.002 0.000 0.250 272 V C 2.355 178.634 176.094 0.308 0.000 1.061 272 V CA 1.934 64.272 62.300 0.063 0.000 1.064 272 V CB -0.530 31.252 31.823 -0.069 0.000 0.670 272 V HN 0.323 nan 8.190 nan 0.000 0.461 273 Q N -0.313 119.654 119.800 0.279 0.000 2.245 273 Q HA -0.033 4.306 4.340 -0.002 0.000 0.201 273 Q C 2.448 178.609 176.000 0.268 0.000 0.955 273 Q CA 1.272 57.240 55.803 0.275 0.000 0.870 273 Q CB -0.268 28.558 28.738 0.147 0.000 0.945 273 Q HN 0.682 nan 8.270 nan 0.000 0.461 274 A N 1.158 124.125 122.820 0.244 0.000 1.845 274 A HA -0.243 4.076 4.320 -0.002 0.000 0.215 274 A C 1.599 179.261 177.584 0.130 0.000 1.195 274 A CA 1.844 53.972 52.037 0.151 0.000 0.616 274 A CB -0.972 18.088 19.000 0.100 0.000 0.832 274 A HN 0.348 nan 8.150 nan 0.000 0.443 275 H N -1.486 117.620 119.070 0.060 0.000 2.357 275 H HA -0.158 4.397 4.556 -0.002 0.000 0.296 275 H C 1.699 176.990 175.328 -0.063 0.000 1.108 275 H CA 2.048 58.081 56.048 -0.026 0.000 1.273 275 H CB -0.535 29.158 29.762 -0.115 0.000 1.367 275 H HN 0.533 nan 8.280 nan 0.000 0.498 276 F N -0.470 119.545 119.950 0.108 0.000 2.234 276 F HA -0.109 4.418 4.527 -0.001 0.000 0.299 276 F C 2.269 178.098 175.800 0.049 0.000 1.087 276 F CA 0.578 58.614 58.000 0.060 0.000 1.340 276 F CB -0.354 38.685 39.000 0.066 0.000 1.031 276 F HN 0.136 nan 8.300 nan 0.000 0.500 277 L N 0.343 121.701 121.223 0.225 0.000 2.083 277 L HA -0.206 4.133 4.340 -0.002 0.000 0.209 277 L C 1.971 178.887 176.870 0.077 0.000 1.083 277 L CA 1.833 56.749 54.840 0.127 0.000 0.752 277 L CB -0.898 41.214 42.059 0.088 0.000 0.899 277 L HN 0.189 nan 8.230 nan 0.000 0.433 278 Q N -0.063 119.765 119.800 0.047 0.000 2.515 278 Q HA 0.115 4.454 4.340 -0.002 0.000 0.212 278 Q C 1.089 177.104 176.000 0.025 0.000 0.970 278 Q CA 0.589 56.401 55.803 0.014 0.000 0.941 278 Q CB -0.195 28.527 28.738 -0.026 0.000 0.998 278 Q HN 0.710 nan 8.270 nan 0.000 0.518 279 G N 2.142 110.972 108.800 0.050 0.000 2.182 279 G HA2 -0.284 3.675 3.960 -0.002 0.000 0.248 279 G HA3 -0.284 3.675 3.960 -0.002 0.000 0.248 279 G C -0.376 174.534 174.900 0.017 0.000 1.042 279 G CA 0.439 45.570 45.100 0.051 0.000 0.775 279 G HN 0.388 nan 8.290 nan 0.000 0.501 280 K N -0.868 119.507 120.400 -0.042 0.000 2.513 280 K HA 0.507 4.826 4.320 -0.002 0.000 0.251 280 K C -0.671 175.701 176.600 -0.380 0.000 0.939 280 K CA -1.261 54.961 56.287 -0.108 0.000 0.793 280 K CB 1.515 34.012 32.500 -0.005 0.000 1.241 280 K HN -0.005 nan 8.250 nan 0.000 0.431 281 N N 4.870 123.329 118.700 -0.401 0.000 2.406 281 N HA 0.042 4.781 4.740 -0.002 0.000 0.265 281 N C -1.560 173.430 175.510 -0.866 0.000 1.203 281 N CA -1.556 51.101 53.050 -0.656 0.000 0.945 281 N CB 0.767 39.117 38.487 -0.227 0.000 1.165 281 N HN 0.519 nan 8.380 nan 0.000 0.485 282 P HA -0.020 nan 4.420 nan 0.000 0.242 282 P C 0.150 176.810 177.300 -1.068 0.000 1.197 282 P CA 0.549 62.774 63.100 -1.460 0.000 0.765 282 P CB -0.096 31.040 31.700 -0.939 0.000 0.936 283 F N -0.188 119.536 119.950 -0.377 0.000 2.664 283 F HA 0.294 4.820 4.527 -0.002 0.000 0.303 283 F C 1.307 177.044 175.800 -0.104 0.000 1.092 283 F CA -0.136 57.799 58.000 -0.109 0.000 1.305 283 F CB 0.265 39.238 39.000 -0.045 0.000 1.054 283 F HN -0.272 nan 8.300 nan 0.000 0.565 284 R N 1.608 122.063 120.500 -0.075 0.000 2.494 284 R HA 0.243 4.582 4.340 -0.002 0.000 0.284 284 R C -2.436 173.936 176.300 0.120 0.000 1.525 284 R CA -1.546 54.567 56.100 0.022 0.000 1.460 284 R CB 1.058 31.363 30.300 0.007 0.000 1.134 284 R HN -0.028 nan 8.270 nan 0.000 0.592 285 P HA 0.009 nan 4.420 nan 0.000 0.317 285 P C -0.364 177.034 177.300 0.163 0.000 1.316 285 P CA -0.303 62.995 63.100 0.331 0.000 0.744 285 P CB 0.481 32.318 31.700 0.229 0.000 1.521 286 A N -0.926 121.943 122.820 0.082 0.000 2.524 286 A HA 0.401 4.720 4.320 -0.002 0.000 0.250 286 A C 1.271 178.865 177.584 0.016 0.000 1.078 286 A CA 0.417 52.473 52.037 0.031 0.000 0.761 286 A CB -1.710 17.289 19.000 -0.002 0.000 1.012 286 A HN 0.796 nan 8.150 nan 0.000 0.500 287 G N 1.788 110.591 108.800 0.004 0.000 2.332 287 G HA2 -0.119 3.840 3.960 -0.002 0.000 0.277 287 G HA3 -0.119 3.840 3.960 -0.002 0.000 0.277 287 G C 0.078 174.945 174.900 -0.056 0.000 0.884 287 G CA 0.600 45.686 45.100 -0.024 0.000 1.251 287 G HN 1.322 nan 8.290 nan 0.000 0.462 288 L N -0.588 120.615 121.223 -0.033 0.000 2.476 288 L HA 0.659 4.998 4.340 -0.002 0.000 0.264 288 L C 0.428 177.221 176.870 -0.127 0.000 1.224 288 L CA -0.019 54.788 54.840 -0.055 0.000 0.821 288 L CB 1.029 43.087 42.059 -0.002 0.000 1.101 288 L HN 0.339 nan 8.230 nan 0.000 0.488 289 E N 1.021 121.113 120.200 -0.179 0.000 2.279 289 E HA 0.325 4.674 4.350 -0.002 0.000 0.252 289 E C -1.219 175.327 176.600 -0.089 0.000 0.894 289 E CA -0.507 55.750 56.400 -0.238 0.000 0.785 289 E CB 1.027 30.328 29.700 -0.665 0.000 1.237 289 E HN 0.396 nan 8.360 nan 0.000 0.418 290 V N 2.700 122.595 119.914 -0.031 0.000 2.153 290 V HA 0.330 4.449 4.120 -0.002 0.000 0.250 290 V C 0.126 176.252 176.094 0.052 0.000 1.334 290 V CA -0.852 61.458 62.300 0.016 0.000 1.249 290 V CB 0.236 32.070 31.823 0.020 0.000 1.371 290 V HN 0.354 nan 8.190 nan 0.000 0.498 291 V N 5.175 125.140 119.914 0.084 0.000 2.434 291 V HA 0.097 4.216 4.120 -0.002 0.000 0.281 291 V C 1.248 177.405 176.094 0.105 0.000 1.005 291 V CA 0.490 62.868 62.300 0.129 0.000 1.089 291 V CB -0.191 31.739 31.823 0.180 0.000 0.978 291 V HN 0.860 nan 8.190 nan 0.000 0.474 292 E N 3.268 123.544 120.200 0.127 0.000 2.156 292 E HA 0.111 4.460 4.350 -0.002 0.000 0.225 292 E C 0.442 177.056 176.600 0.024 0.000 0.906 292 E CA 0.212 56.639 56.400 0.046 0.000 0.988 292 E CB -0.221 29.485 29.700 0.012 0.000 1.151 292 E HN 0.823 nan 8.360 nan 0.000 0.504 293 H N 0.722 119.814 119.070 0.036 0.000 2.983 293 H HA 0.007 4.562 4.556 -0.002 0.000 0.361 293 H C 1.270 176.615 175.328 0.029 0.000 1.145 293 H CA 0.947 57.012 56.048 0.029 0.000 1.404 293 H CB 0.126 29.901 29.762 0.022 0.000 1.356 293 H HN 0.073 nan 8.280 nan 0.000 0.612 294 T N 1.201 115.834 114.554 0.132 0.000 3.035 294 T HA -0.094 4.255 4.350 -0.002 0.000 0.268 294 T C 1.385 176.114 174.700 0.049 0.000 1.109 294 T CA 1.125 63.265 62.100 0.067 0.000 1.119 294 T CB -0.024 68.863 68.868 0.032 0.000 0.900 294 T HN 0.499 nan 8.240 nan 0.000 0.503 295 E N 2.084 122.327 120.200 0.071 0.000 2.006 295 E HA 0.063 4.412 4.350 -0.002 0.000 0.192 295 E C 2.528 179.146 176.600 0.031 0.000 0.993 295 E CA 1.218 57.635 56.400 0.028 0.000 0.808 295 E CB -0.794 28.914 29.700 0.013 0.000 0.764 295 E HN 0.406 nan 8.360 nan 0.000 0.449 296 A N 0.582 123.439 122.820 0.061 0.000 1.997 296 A HA -0.296 4.023 4.320 -0.002 0.000 0.221 296 A C 2.314 179.948 177.584 0.084 0.000 1.172 296 A CA 2.192 54.276 52.037 0.078 0.000 0.645 296 A CB -0.972 18.100 19.000 0.119 0.000 0.813 296 A HN 0.242 nan 8.150 nan 0.000 0.454 297 S N -0.587 115.162 115.700 0.082 0.000 2.356 297 S HA -0.196 4.273 4.470 -0.002 0.000 0.223 297 S C 2.058 176.673 174.600 0.024 0.000 1.032 297 S CA 1.821 60.070 58.200 0.080 0.000 1.005 297 S CB -0.308 62.934 63.200 0.069 0.000 0.867 297 S HN 0.644 nan 8.310 nan 0.000 0.449 298 K N 0.582 120.962 120.400 -0.032 0.000 2.442 298 K HA 0.094 4.413 4.320 -0.002 0.000 0.198 298 K C 0.958 177.515 176.600 -0.073 0.000 1.042 298 K CA 0.838 57.072 56.287 -0.089 0.000 0.958 298 K CB -0.300 32.135 32.500 -0.110 0.000 0.766 298 K HN 0.379 nan 8.250 nan 0.000 0.474 299 A N 1.098 123.896 122.820 -0.036 0.000 2.543 299 A HA 0.191 4.510 4.320 -0.002 0.000 0.258 299 A C 0.867 178.411 177.584 -0.067 0.000 1.391 299 A CA -0.019 51.992 52.037 -0.043 0.000 1.066 299 A CB -0.250 18.742 19.000 -0.013 0.000 0.972 299 A HN 0.334 nan 8.150 nan 0.000 0.560 300 L N -1.125 120.064 121.223 -0.056 0.000 3.017 300 L HA 0.097 4.436 4.340 -0.002 0.000 0.265 300 L C 1.676 178.537 176.870 -0.014 0.000 1.128 300 L CA 0.298 55.094 54.840 -0.074 0.000 0.984 300 L CB -0.016 42.038 42.059 -0.008 0.000 1.464 300 L HN 0.596 nan 8.230 nan 0.000 0.556 301 N N 1.440 120.123 118.700 -0.028 0.000 2.398 301 N HA -0.101 4.638 4.740 -0.002 0.000 0.188 301 N C 1.387 176.806 175.510 -0.151 0.000 1.122 301 N CA 0.471 53.476 53.050 -0.076 0.000 0.866 301 N CB 0.375 38.671 38.487 -0.318 0.000 0.970 301 N HN 0.403 nan 8.380 nan 0.000 0.462 302 R N -1.086 119.340 120.500 -0.123 0.000 2.582 302 R HA 0.431 4.770 4.340 -0.002 0.000 0.285 302 R C 0.489 176.744 176.300 -0.075 0.000 0.940 302 R CA 0.066 56.105 56.100 -0.102 0.000 1.072 302 R CB -0.506 29.726 30.300 -0.113 0.000 1.527 302 R HN 0.070 nan 8.270 nan 0.000 0.538 303 A N 3.201 125.970 122.820 -0.085 0.000 2.492 303 A HA 0.394 4.713 4.320 -0.002 0.000 0.236 303 A C -1.925 175.619 177.584 -0.067 0.000 1.078 303 A CA -0.796 51.192 52.037 -0.082 0.000 0.773 303 A CB -0.422 18.495 19.000 -0.139 0.000 1.023 303 A HN 0.352 nan 8.150 nan 0.000 0.504 304 P HA 0.279 nan 4.420 nan 0.000 0.287 304 P C 0.254 177.538 177.300 -0.027 0.000 1.294 304 P CA 0.243 63.325 63.100 -0.029 0.000 0.776 304 P CB 0.931 32.622 31.700 -0.013 0.000 0.889 305 G N 5.232 114.013 108.800 -0.031 0.000 2.563 305 G HA2 0.417 4.376 3.960 -0.002 0.000 0.283 305 G HA3 0.417 4.376 3.960 -0.002 0.000 0.283 305 G C -2.291 172.602 174.900 -0.013 0.000 1.309 305 G CA -1.252 43.832 45.100 -0.027 0.000 1.022 305 G HN 0.389 nan 8.290 nan 0.000 0.501 306 P HA 0.292 nan 4.420 nan 0.000 0.272 306 P C -0.334 176.966 177.300 0.000 0.000 1.240 306 P CA 0.205 63.294 63.100 -0.017 0.000 0.791 306 P CB 1.160 32.847 31.700 -0.021 0.000 0.978 307 M N -0.552 119.043 119.600 -0.008 0.000 2.895 307 M HA 0.528 5.007 4.480 -0.002 0.000 0.271 307 M C -2.005 174.303 176.300 0.013 0.000 1.174 307 M CA -1.155 54.165 55.300 0.032 0.000 0.816 307 M CB 1.863 34.454 32.600 -0.015 0.000 1.647 307 M HN 0.106 nan 8.290 nan 0.000 0.506 308 V N 1.636 121.602 119.914 0.087 0.000 2.577 308 V HA 0.861 4.980 4.120 -0.002 0.000 0.303 308 V C -1.894 174.257 176.094 0.096 0.000 1.042 308 V CA -0.366 61.968 62.300 0.057 0.000 0.872 308 V CB 2.024 33.886 31.823 0.065 0.000 0.998 308 V HN 0.797 nan 8.190 nan 0.000 0.423 309 V N 7.417 127.324 119.914 -0.011 0.000 2.540 309 V HA 0.615 4.734 4.120 -0.002 0.000 0.302 309 V C -0.880 175.197 176.094 -0.028 0.000 1.035 309 V CA -0.566 61.701 62.300 -0.055 0.000 0.873 309 V CB 1.697 33.319 31.823 -0.336 0.000 0.992 309 V HN 0.780 nan 8.190 nan 0.000 0.428 310 L N 4.563 125.806 121.223 0.033 0.000 2.343 310 L HA 0.942 5.281 4.340 -0.002 0.000 0.278 310 L C 0.092 176.996 176.870 0.057 0.000 0.996 310 L CA 0.065 54.933 54.840 0.046 0.000 0.831 310 L CB 1.492 43.595 42.059 0.072 0.000 1.232 310 L HN 0.877 nan 8.230 nan 0.000 0.413 311 A N 1.657 124.506 122.820 0.049 0.000 2.599 311 A HA 0.966 5.285 4.320 -0.002 0.000 0.290 311 A C -0.609 176.986 177.584 0.018 0.000 1.101 311 A CA 0.001 52.081 52.037 0.071 0.000 0.674 311 A CB 1.322 20.418 19.000 0.160 0.000 1.277 311 A HN 0.722 nan 8.150 nan 0.000 0.419 312 G N -0.488 108.313 108.800 0.002 0.000 3.140 312 G HA2 0.669 4.628 3.960 -0.002 0.000 0.271 312 G HA3 0.669 4.628 3.960 -0.002 0.000 0.271 312 G C 0.057 174.931 174.900 -0.044 0.000 1.370 312 G CA 0.246 45.300 45.100 -0.078 0.000 1.014 312 G HN 1.828 nan 8.290 nan 0.000 0.541 313 S N -0.969 114.686 115.700 -0.075 0.000 2.572 313 S HA 0.361 4.830 4.470 -0.002 0.000 0.279 313 S C 1.628 176.038 174.600 -0.317 0.000 1.341 313 S CA 0.381 58.476 58.200 -0.174 0.000 1.043 313 S CB 1.269 64.417 63.200 -0.087 0.000 0.887 313 S HN 1.362 nan 8.310 nan 0.000 0.516 314 G N 1.442 109.775 108.800 -0.778 0.000 2.501 314 G HA2 -0.111 3.848 3.960 -0.002 0.000 0.220 314 G HA3 -0.111 3.848 3.960 -0.002 0.000 0.220 314 G C 0.842 175.536 174.900 -0.343 0.000 1.114 314 G CA 0.898 45.494 45.100 -0.839 0.000 0.757 314 G HN 0.713 nan 8.290 nan 0.000 0.559 315 M N -0.604 118.870 119.600 -0.210 0.000 2.428 315 M HA 0.450 4.929 4.480 -0.002 0.000 0.239 315 M C 0.751 177.035 176.300 -0.027 0.000 1.121 315 M CA -0.155 55.131 55.300 -0.023 0.000 1.019 315 M CB 0.012 32.661 32.600 0.082 0.000 1.485 315 M HN -0.026 nan 8.290 nan 0.000 0.484 316 L N 0.064 121.262 121.223 -0.042 0.000 3.600 316 L HA -0.207 4.132 4.340 -0.002 0.000 0.424 316 L C 0.161 177.016 176.870 -0.026 0.000 1.260 316 L CA 0.177 55.006 54.840 -0.019 0.000 0.883 316 L CB -2.143 39.929 42.059 0.021 0.000 1.895 316 L HN 0.481 nan 8.230 nan 0.000 0.827 317 A N 0.652 123.457 122.820 -0.024 0.000 3.264 317 A HA 0.682 5.001 4.320 -0.002 0.000 0.299 317 A C 1.074 178.649 177.584 -0.016 0.000 1.272 317 A CA 0.604 52.636 52.037 -0.010 0.000 1.030 317 A CB 0.098 19.108 19.000 0.017 0.000 1.102 317 A HN 1.400 nan 8.150 nan 0.000 0.615 318 G N -1.011 107.765 108.800 -0.041 0.000 2.592 318 G HA2 0.530 4.489 3.960 -0.002 0.000 0.684 318 G HA3 0.530 4.489 3.960 -0.002 0.000 0.684 318 G C 0.658 175.529 174.900 -0.047 0.000 1.291 318 G CA 0.044 45.115 45.100 -0.048 0.000 0.891 318 G HN 2.606 nan 8.290 nan 0.000 0.544 319 G N -1.073 107.709 108.800 -0.030 0.000 2.482 319 G HA2 0.101 4.060 3.960 -0.002 0.000 0.214 319 G HA3 0.101 4.060 3.960 -0.002 0.000 0.214 319 G C 0.636 175.547 174.900 0.017 0.000 1.271 319 G CA 0.740 45.844 45.100 0.008 0.000 0.944 319 G HN 1.443 nan 8.290 nan 0.000 0.568 320 R N -0.703 119.838 120.500 0.069 0.000 2.265 320 R HA 0.272 4.611 4.340 -0.002 0.000 0.194 320 R C 2.436 178.758 176.300 0.037 0.000 0.931 320 R CA 0.665 56.833 56.100 0.114 0.000 1.032 320 R CB 0.011 30.390 30.300 0.131 0.000 0.980 320 R HN 0.379 nan 8.270 nan 0.000 0.497 321 I N 1.235 121.848 120.570 0.072 0.000 2.850 321 I HA -0.153 4.016 4.170 -0.002 0.000 0.266 321 I C 1.389 177.523 176.117 0.029 0.000 1.257 321 I CA 1.314 62.690 61.300 0.126 0.000 1.465 321 I CB 0.102 38.135 38.000 0.055 0.000 1.091 321 I HN 0.117 nan 8.210 nan 0.000 0.467 322 L N -1.125 120.022 121.223 -0.126 0.000 2.416 322 L HA 0.022 4.361 4.340 -0.002 0.000 0.216 322 L C 1.608 178.330 176.870 -0.247 0.000 1.098 322 L CA 0.219 54.936 54.840 -0.205 0.000 0.840 322 L CB -0.685 41.194 42.059 -0.301 0.000 0.981 322 L HN 0.258 nan 8.230 nan 0.000 0.462 323 H N -1.074 117.928 119.070 -0.114 0.000 2.533 323 H HA 0.100 4.655 4.556 -0.002 0.000 0.271 323 H C 1.322 176.586 175.328 -0.107 0.000 1.000 323 H CA 0.541 56.516 56.048 -0.122 0.000 1.149 323 H CB 0.342 29.994 29.762 -0.184 0.000 1.375 323 H HN 0.381 nan 8.280 nan 0.000 0.582 324 H N -0.917 118.242 119.070 0.148 0.000 2.594 324 H HA 0.057 4.612 4.556 -0.002 0.000 0.274 324 H C 1.870 177.228 175.328 0.051 0.000 0.982 324 H CA 0.020 56.134 56.048 0.111 0.000 1.228 324 H CB 0.382 30.173 29.762 0.048 0.000 1.447 324 H HN 0.148 nan 8.280 nan 0.000 0.485 325 L N 1.357 122.644 121.223 0.106 0.000 2.156 325 L HA -0.036 4.303 4.340 -0.002 0.000 0.208 325 L C 2.291 179.135 176.870 -0.044 0.000 1.095 325 L CA 1.332 56.182 54.840 0.018 0.000 0.770 325 L CB -0.354 41.702 42.059 -0.006 0.000 0.914 325 L HN 0.084 nan 8.230 nan 0.000 0.439 326 K N -1.667 118.659 120.400 -0.123 0.000 2.504 326 K HA -0.115 4.204 4.320 -0.002 0.000 0.195 326 K C 1.383 177.722 176.600 -0.434 0.000 1.036 326 K CA 0.861 56.976 56.287 -0.286 0.000 0.984 326 K CB 0.125 32.396 32.500 -0.382 0.000 0.788 326 K HN 0.452 nan 8.250 nan 0.000 0.488 327 H N -2.621 116.462 119.070 0.021 0.000 2.735 327 H HA 0.134 4.689 4.556 -0.002 0.000 0.250 327 H C 1.661 176.995 175.328 0.011 0.000 0.948 327 H CA 0.843 56.901 56.048 0.018 0.000 1.137 327 H CB 0.534 30.312 29.762 0.027 0.000 1.440 327 H HN 0.268 nan 8.280 nan 0.000 0.444 328 G N 0.633 109.508 108.800 0.126 0.000 2.880 328 G HA2 -0.021 3.938 3.960 -0.002 0.000 0.209 328 G HA3 -0.021 3.938 3.960 -0.002 0.000 0.209 328 G C 1.541 176.448 174.900 0.012 0.000 1.157 328 G CA 0.003 45.138 45.100 0.058 0.000 0.779 328 G HN 0.109 nan 8.290 nan 0.000 0.539 329 L N 1.739 122.962 121.223 -0.001 0.000 2.179 329 L HA 0.049 4.388 4.340 -0.002 0.000 0.208 329 L C 2.940 179.798 176.870 -0.021 0.000 1.096 329 L CA 1.923 56.747 54.840 -0.026 0.000 0.779 329 L CB -0.231 41.807 42.059 -0.036 0.000 0.922 329 L HN 0.262 nan 8.230 nan 0.000 0.443 330 S N -1.935 113.759 115.700 -0.010 0.000 2.507 330 S HA -0.080 4.389 4.470 -0.002 0.000 0.235 330 S C 0.805 175.402 174.600 -0.004 0.000 0.988 330 S CA 0.251 58.447 58.200 -0.007 0.000 0.944 330 S CB -0.538 62.663 63.200 0.002 0.000 0.762 330 S HN 0.465 nan 8.310 nan 0.000 0.526 331 D N 2.290 122.688 120.400 -0.002 0.000 2.193 331 D HA 0.308 4.947 4.640 -0.002 0.000 0.244 331 D C -1.960 174.332 176.300 -0.015 0.000 1.064 331 D CA -2.504 51.493 54.000 -0.005 0.000 0.845 331 D CB 1.977 42.777 40.800 0.000 0.000 1.148 331 D HN -0.009 nan 8.370 nan 0.000 0.464 332 P HA 0.092 nan 4.420 nan 0.000 0.249 332 P C 0.645 177.935 177.300 -0.016 0.000 1.229 332 P CA 0.213 63.302 63.100 -0.018 0.000 0.788 332 P CB 0.559 32.250 31.700 -0.015 0.000 1.072 333 R N -0.742 119.748 120.500 -0.015 0.000 2.156 333 R HA 0.115 4.454 4.340 -0.002 0.000 0.207 333 R C 0.713 177.001 176.300 -0.020 0.000 1.040 333 R CA 0.131 56.221 56.100 -0.016 0.000 1.013 333 R CB -0.171 30.119 30.300 -0.016 0.000 0.931 333 R HN 0.205 nan 8.270 nan 0.000 0.465 334 N N 1.263 119.949 118.700 -0.023 0.000 2.530 334 N HA 0.206 4.945 4.740 -0.002 0.000 0.273 334 N C -0.795 174.696 175.510 -0.032 0.000 1.173 334 N CA 0.179 53.211 53.050 -0.030 0.000 0.967 334 N CB 1.431 39.901 38.487 -0.029 0.000 1.109 334 N HN 0.113 nan 8.380 nan 0.000 0.453 335 A N 2.124 124.927 122.820 -0.029 0.000 2.318 335 A HA 0.489 4.808 4.320 -0.002 0.000 0.317 335 A C -0.434 177.127 177.584 -0.038 0.000 1.159 335 A CA -0.708 51.331 52.037 0.004 0.000 0.799 335 A CB 0.693 19.733 19.000 0.066 0.000 1.194 335 A HN 0.682 nan 8.150 nan 0.000 0.479 336 L N 3.642 124.804 121.223 -0.101 0.000 2.275 336 L HA 0.646 4.985 4.340 -0.002 0.000 0.288 336 L C -1.240 175.504 176.870 -0.210 0.000 1.046 336 L CA -0.606 54.102 54.840 -0.220 0.000 0.805 336 L CB 1.399 43.241 42.059 -0.361 0.000 1.193 336 L HN 0.447 nan 8.230 nan 0.000 0.426 337 V N 5.117 124.916 119.914 -0.191 0.000 2.349 337 V HA 0.274 4.393 4.120 -0.002 0.000 0.284 337 V C -0.467 175.566 176.094 -0.101 0.000 1.014 337 V CA -0.528 61.725 62.300 -0.079 0.000 0.826 337 V CB 1.058 32.913 31.823 0.053 0.000 1.009 337 V HN 0.447 nan 8.190 nan 0.000 0.431 338 F N 4.493 124.470 119.950 0.046 0.000 2.466 338 F HA 0.195 4.722 4.527 -0.001 0.000 0.363 338 F C 1.374 177.168 175.800 -0.010 0.000 1.109 338 F CA -0.362 57.652 58.000 0.022 0.000 1.161 338 F CB 1.240 40.263 39.000 0.039 0.000 1.117 338 F HN 0.459 nan 8.300 nan 0.000 0.539 339 V N 1.188 121.174 119.914 0.120 0.000 3.306 339 V HA 0.406 4.525 4.120 -0.002 0.000 0.264 339 V C 0.888 177.057 176.094 0.125 0.000 1.149 339 V CA 0.959 63.200 62.300 -0.098 0.000 1.143 339 V CB -0.755 30.932 31.823 -0.227 0.000 0.767 339 V HN 0.677 nan 8.190 nan 0.000 0.476 340 G N -1.704 107.246 108.800 0.251 0.000 2.682 340 G HA2 0.463 4.422 3.960 -0.002 0.000 0.290 340 G HA3 0.463 4.422 3.960 -0.002 0.000 0.290 340 G C -1.525 173.561 174.900 0.310 0.000 1.425 340 G CA -0.827 44.469 45.100 0.328 0.000 0.807 340 G HN 0.219 nan 8.290 nan 0.000 0.482 341 Y N 0.788 121.245 120.300 0.262 0.000 2.788 341 Y HA 0.291 4.840 4.550 -0.002 0.000 0.341 341 Y C 0.372 176.332 175.900 0.100 0.000 1.258 341 Y CA 0.604 58.833 58.100 0.214 0.000 1.503 341 Y CB 0.662 39.345 38.460 0.373 0.000 1.325 341 Y HN 0.336 nan 8.280 nan 0.000 0.614 342 Q N 6.978 126.270 119.800 -0.847 0.000 2.345 342 Q HA 0.388 4.727 4.340 -0.002 0.000 0.268 342 Q C -2.452 173.050 176.000 -0.830 0.000 1.054 342 Q CA -2.069 53.330 55.803 -0.674 0.000 0.835 342 Q CB 1.839 30.176 28.738 -0.668 0.000 1.339 342 Q HN 0.548 nan 8.270 nan 0.000 0.447 343 P HA -0.014 nan 4.420 nan 0.000 0.272 343 P C -0.592 176.625 177.300 -0.137 0.000 1.230 343 P CA -0.264 62.775 63.100 -0.102 0.000 0.788 343 P CB 0.685 32.383 31.700 -0.005 0.000 0.949 344 Q N 0.819 120.596 119.800 -0.037 0.000 2.300 344 Q HA 0.379 4.718 4.340 -0.002 0.000 0.262 344 Q C 1.182 177.161 176.000 -0.035 0.000 1.109 344 Q CA 1.275 57.058 55.803 -0.034 0.000 0.905 344 Q CB -1.074 27.672 28.738 0.013 0.000 1.280 344 Q HN 0.820 nan 8.270 nan 0.000 0.426 345 G N 2.422 111.190 108.800 -0.053 0.000 2.195 345 G HA2 -0.230 3.729 3.960 -0.002 0.000 0.246 345 G HA3 -0.230 3.729 3.960 -0.002 0.000 0.246 345 G C 0.479 175.354 174.900 -0.043 0.000 0.984 345 G CA -0.222 44.855 45.100 -0.039 0.000 0.633 345 G HN 0.990 nan 8.290 nan 0.000 0.525 346 G N -0.391 108.374 108.800 -0.059 0.000 2.732 346 G HA2 0.452 4.411 3.960 -0.002 0.000 0.244 346 G HA3 0.452 4.411 3.960 -0.002 0.000 0.244 346 G C 1.287 176.156 174.900 -0.051 0.000 1.226 346 G CA 0.252 45.320 45.100 -0.053 0.000 0.860 346 G HN 1.075 nan 8.290 nan 0.000 0.583 347 L N 1.401 122.604 121.223 -0.033 0.000 2.089 347 L HA -0.068 4.271 4.340 -0.002 0.000 0.213 347 L C 2.532 179.404 176.870 0.002 0.000 1.079 347 L CA 3.034 57.866 54.840 -0.014 0.000 0.758 347 L CB -0.874 41.182 42.059 -0.006 0.000 0.891 347 L HN 0.583 nan 8.230 nan 0.000 0.433 348 G N -1.357 107.424 108.800 -0.031 0.000 2.404 348 G HA2 -0.134 3.825 3.960 -0.002 0.000 0.214 348 G HA3 -0.134 3.825 3.960 -0.002 0.000 0.214 348 G C 1.578 176.409 174.900 -0.115 0.000 1.189 348 G CA 0.613 45.685 45.100 -0.048 0.000 0.789 348 G HN 0.650 nan 8.290 nan 0.000 0.533 349 A N 0.703 123.412 122.820 -0.184 0.000 2.139 349 A HA -0.071 4.248 4.320 -0.002 0.000 0.221 349 A C 2.111 179.658 177.584 -0.063 0.000 1.159 349 A CA 2.017 53.964 52.037 -0.150 0.000 0.662 349 A CB -0.307 18.605 19.000 -0.147 0.000 0.796 349 A HN 0.539 nan 8.150 nan 0.000 0.463 350 E N -0.685 119.495 120.200 -0.033 0.000 2.102 350 E HA 0.059 4.408 4.350 -0.002 0.000 0.190 350 E C 1.702 178.312 176.600 0.017 0.000 0.971 350 E CA 0.637 57.032 56.400 -0.009 0.000 0.821 350 E CB -0.152 29.543 29.700 -0.009 0.000 0.777 350 E HN 0.675 nan 8.360 nan 0.000 0.460 351 I N 1.303 121.903 120.570 0.051 0.000 2.614 351 I HA -0.185 3.984 4.170 -0.002 0.000 0.258 351 I C 2.122 178.297 176.117 0.097 0.000 1.189 351 I CA 0.901 62.249 61.300 0.080 0.000 1.462 351 I CB -0.081 38.001 38.000 0.136 0.000 1.092 351 I HN 0.111 nan 8.210 nan 0.000 0.442 352 I N 0.685 121.319 120.570 0.108 0.000 2.761 352 I HA -0.126 4.043 4.170 -0.002 0.000 0.261 352 I C 2.662 178.805 176.117 0.044 0.000 1.198 352 I CA 0.604 61.966 61.300 0.103 0.000 1.482 352 I CB -0.283 37.759 38.000 0.069 0.000 1.100 352 I HN 0.126 nan 8.210 nan 0.000 0.445 353 A N 0.581 123.414 122.820 0.023 0.000 2.067 353 A HA -0.156 4.163 4.320 -0.002 0.000 0.219 353 A C 1.532 179.123 177.584 0.012 0.000 1.158 353 A CA 0.672 52.716 52.037 0.012 0.000 0.661 353 A CB -0.346 18.655 19.000 0.003 0.000 0.801 353 A HN 0.507 nan 8.150 nan 0.000 0.452 354 R N -1.423 119.086 120.500 0.015 0.000 3.246 354 R HA -0.102 4.237 4.340 -0.002 0.000 0.260 354 R C -2.377 173.923 176.300 -0.000 0.000 1.034 354 R CA 0.552 56.655 56.100 0.005 0.000 0.691 354 R CB -1.882 28.419 30.300 0.002 0.000 1.186 354 R HN 0.498 nan 8.270 nan 0.000 0.416 355 P HA 0.153 nan 4.420 nan 0.000 0.274 355 P C -1.955 175.340 177.300 -0.007 0.000 1.256 355 P CA -1.078 62.019 63.100 -0.004 0.000 0.795 355 P CB 0.557 32.254 31.700 -0.004 0.000 1.038 356 P HA 0.006 nan 4.420 nan 0.000 0.228 356 P C 0.186 177.478 177.300 -0.012 0.000 1.151 356 P CA 1.196 64.291 63.100 -0.010 0.000 0.770 356 P CB 0.135 31.830 31.700 -0.008 0.000 0.786 357 A N -1.926 120.886 122.820 -0.013 0.000 2.522 357 A HA 0.511 4.830 4.320 -0.002 0.000 0.294 357 A C -1.600 175.975 177.584 -0.015 0.000 1.001 357 A CA -0.522 51.506 52.037 -0.016 0.000 0.642 357 A CB 0.828 19.817 19.000 -0.017 0.000 1.326 357 A HN -0.166 nan 8.150 nan 0.000 0.435 358 V N 0.529 120.431 119.914 -0.019 0.000 2.914 358 V HA 0.621 4.740 4.120 -0.002 0.000 0.314 358 V C -0.065 176.013 176.094 -0.027 0.000 1.084 358 V CA -0.813 61.476 62.300 -0.019 0.000 0.963 358 V CB 2.112 33.928 31.823 -0.012 0.000 1.025 358 V HN 0.859 nan 8.190 nan 0.000 0.432 359 R N 3.024 123.508 120.500 -0.026 0.000 2.207 359 R HA 0.741 5.080 4.340 -0.002 0.000 0.334 359 R C -1.143 175.133 176.300 -0.040 0.000 1.013 359 R CA -0.168 55.913 56.100 -0.032 0.000 0.858 359 R CB 0.816 31.101 30.300 -0.026 0.000 1.094 359 R HN 0.585 nan 8.270 nan 0.000 0.457 360 I N 3.249 123.787 120.570 -0.054 0.000 2.686 360 I HA 0.171 4.340 4.170 -0.002 0.000 0.295 360 I C -0.028 176.044 176.117 -0.075 0.000 1.114 360 I CA -1.008 60.251 61.300 -0.069 0.000 1.038 360 I CB 2.062 40.011 38.000 -0.085 0.000 1.238 360 I HN 0.411 nan 8.210 nan 0.000 0.420 361 L N 4.412 125.591 121.223 -0.073 0.000 3.865 361 L HA -0.192 4.147 4.340 -0.002 0.000 0.408 361 L C 1.017 177.871 176.870 -0.025 0.000 1.209 361 L CA 1.255 56.068 54.840 -0.046 0.000 0.940 361 L CB -2.520 39.519 42.059 -0.034 0.000 1.971 361 L HN 1.222 nan 8.230 nan 0.000 0.899 362 G N 0.446 109.230 108.800 -0.028 0.000 2.333 362 G HA2 -0.210 3.749 3.960 -0.002 0.000 0.296 362 G HA3 -0.210 3.749 3.960 -0.002 0.000 0.296 362 G C 0.100 174.987 174.900 -0.021 0.000 1.059 362 G CA 1.074 46.163 45.100 -0.020 0.000 1.050 362 G HN 0.828 nan 8.290 nan 0.000 0.508 363 E N -1.049 119.132 120.200 -0.030 0.000 2.389 363 E HA 0.405 4.754 4.350 -0.002 0.000 0.281 363 E C -1.092 175.486 176.600 -0.037 0.000 1.072 363 E CA -0.824 55.557 56.400 -0.032 0.000 0.845 363 E CB 0.978 30.656 29.700 -0.037 0.000 1.239 363 E HN 0.159 nan 8.360 nan 0.000 0.434 364 E N 1.983 122.165 120.200 -0.031 0.000 2.200 364 E HA 0.432 4.781 4.350 -0.002 0.000 0.283 364 E C -1.674 174.905 176.600 -0.035 0.000 1.015 364 E CA -0.493 55.889 56.400 -0.030 0.000 0.819 364 E CB 1.723 31.410 29.700 -0.021 0.000 1.081 364 E HN 0.249 nan 8.360 nan 0.000 0.397 365 V N 6.431 126.321 119.914 -0.040 0.000 2.588 365 V HA 0.540 4.659 4.120 -0.002 0.000 0.304 365 V C -2.540 173.535 176.094 -0.032 0.000 1.042 365 V CA -2.743 59.531 62.300 -0.044 0.000 0.877 365 V CB 2.056 33.838 31.823 -0.069 0.000 0.996 365 V HN 0.733 nan 8.190 nan 0.000 0.425 366 P HA 0.065 nan 4.420 nan 0.000 0.263 366 P C -0.413 176.873 177.300 -0.024 0.000 1.195 366 P CA 0.043 63.130 63.100 -0.021 0.000 0.762 366 P CB 0.366 32.057 31.700 -0.015 0.000 0.799 367 L N 4.794 126.003 121.223 -0.024 0.000 2.796 367 L HA 0.191 4.530 4.340 -0.002 0.000 0.235 367 L C 1.227 178.078 176.870 -0.033 0.000 1.344 367 L CA 0.462 55.284 54.840 -0.029 0.000 1.245 367 L CB -0.847 41.197 42.059 -0.025 0.000 1.556 367 L HN 0.210 nan 8.230 nan 0.000 0.423 368 R N 0.986 121.468 120.500 -0.030 0.000 2.161 368 R HA 0.251 4.590 4.340 -0.002 0.000 0.213 368 R C 1.002 177.278 176.300 -0.040 0.000 1.055 368 R CA 0.558 56.641 56.100 -0.029 0.000 0.996 368 R CB -0.063 30.225 30.300 -0.020 0.000 0.901 368 R HN 0.590 nan 8.270 nan 0.000 0.456 369 A N 1.959 124.751 122.820 -0.047 0.000 2.531 369 A HA 0.125 4.444 4.320 -0.002 0.000 0.236 369 A C 0.529 178.053 177.584 -0.100 0.000 1.062 369 A CA -0.125 51.875 52.037 -0.062 0.000 0.760 369 A CB 0.228 19.191 19.000 -0.062 0.000 0.995 369 A HN 0.377 nan 8.150 nan 0.000 0.501 370 S N 0.751 116.380 115.700 -0.117 0.000 2.576 370 S HA 0.437 4.906 4.470 -0.002 0.000 0.272 370 S C -0.090 174.286 174.600 -0.373 0.000 1.352 370 S CA -0.471 57.594 58.200 -0.225 0.000 1.021 370 S CB 0.758 63.856 63.200 -0.171 0.000 0.887 370 S HN 0.925 nan 8.310 nan 0.000 0.542 371 V N 2.989 122.578 119.914 -0.541 0.000 2.588 371 V HA 0.482 4.601 4.120 -0.002 0.000 0.304 371 V C -0.847 174.865 176.094 -0.638 0.000 1.042 371 V CA -0.625 61.391 62.300 -0.474 0.000 0.877 371 V CB 1.511 33.216 31.823 -0.197 0.000 0.996 371 V HN 0.951 nan 8.190 nan 0.000 0.425 372 H N 2.077 121.093 119.070 -0.091 0.000 2.771 372 H HA 0.570 5.125 4.556 -0.002 0.000 0.361 372 H C -0.427 174.957 175.328 0.093 0.000 1.108 372 H CA -0.575 55.474 56.048 0.003 0.000 1.201 372 H CB 2.407 32.159 29.762 -0.018 0.000 1.681 372 H HN 0.680 nan 8.280 nan 0.000 0.534 373 T N 0.958 115.691 114.554 0.299 0.000 2.864 373 T HA 0.444 4.793 4.350 -0.002 0.000 0.310 373 T C 0.125 174.976 174.700 0.252 0.000 1.040 373 T CA -0.873 61.426 62.100 0.332 0.000 0.977 373 T CB -0.044 69.002 68.868 0.297 0.000 0.976 373 T HN 0.354 nan 8.240 nan 0.000 0.459 374 L N 3.641 125.008 121.223 0.239 0.000 2.475 374 L HA 0.439 4.778 4.340 -0.002 0.000 0.253 374 L C 1.451 178.483 176.870 0.270 0.000 1.137 374 L CA -0.931 54.049 54.840 0.234 0.000 1.058 374 L CB 0.269 42.455 42.059 0.211 0.000 1.382 374 L HN 0.975 nan 8.230 nan 0.000 0.416 375 G N 0.440 109.384 108.800 0.242 0.000 3.352 375 G HA2 0.137 4.096 3.960 -0.002 0.000 0.236 375 G HA3 0.137 4.096 3.960 -0.002 0.000 0.236 375 G C 1.012 176.037 174.900 0.208 0.000 1.324 375 G CA 0.491 45.735 45.100 0.240 0.000 1.404 375 G HN 0.711 nan 8.290 nan 0.000 0.542 376 G N -0.170 108.779 108.800 0.248 0.000 2.743 376 G HA2 0.110 4.069 3.960 -0.002 0.000 0.206 376 G HA3 0.110 4.069 3.960 -0.002 0.000 0.206 376 G C 1.066 176.049 174.900 0.139 0.000 1.115 376 G CA -0.143 45.042 45.100 0.142 0.000 0.782 376 G HN 0.312 nan 8.290 nan 0.000 0.524 377 F N 1.491 121.473 119.950 0.052 0.000 2.699 377 F HA 0.178 4.703 4.527 -0.002 0.000 0.298 377 F C 1.549 177.372 175.800 0.038 0.000 1.154 377 F CA -0.450 57.609 58.000 0.098 0.000 1.457 377 F CB -0.421 38.613 39.000 0.055 0.000 1.106 377 F HN 0.106 nan 8.300 nan 0.000 0.585 378 Q N 0.559 120.448 119.800 0.148 0.000 3.002 378 Q HA -0.121 4.218 4.340 -0.002 0.000 0.384 378 Q C 1.397 177.340 176.000 -0.095 0.000 1.084 378 Q CA 0.512 56.306 55.803 -0.015 0.000 1.189 378 Q CB 0.561 29.196 28.738 -0.171 0.000 1.072 378 Q HN 0.469 nan 8.270 nan 0.000 0.443 379 G N 4.002 112.741 108.800 -0.102 0.000 2.572 379 G HA2 -0.090 3.869 3.960 -0.002 0.000 0.214 379 G HA3 -0.090 3.869 3.960 -0.002 0.000 0.214 379 G C 0.006 174.835 174.900 -0.120 0.000 1.246 379 G CA -0.114 44.878 45.100 -0.180 0.000 0.835 379 G HN 0.794 nan 8.290 nan 0.000 0.551 380 H N 1.262 120.403 119.070 0.118 0.000 3.073 380 H HA 0.251 4.806 4.556 -0.002 0.000 0.340 380 H C 1.055 176.345 175.328 -0.063 0.000 1.054 380 H CA 0.254 56.355 56.048 0.087 0.000 1.372 380 H CB 0.265 30.148 29.762 0.203 0.000 1.314 380 H HN 0.390 nan 8.280 nan 0.000 0.603 381 A N 2.462 125.319 122.820 0.062 0.000 2.448 381 A HA 0.380 4.699 4.320 -0.002 0.000 0.239 381 A C 1.114 178.752 177.584 0.091 0.000 1.080 381 A CA 0.314 52.367 52.037 0.027 0.000 0.779 381 A CB -0.028 18.934 19.000 -0.063 0.000 1.026 381 A HN 0.770 nan 8.150 nan 0.000 0.499 382 G N -1.460 107.438 108.800 0.163 0.000 2.535 382 G HA2 0.395 4.354 3.960 -0.002 0.000 0.303 382 G HA3 0.395 4.354 3.960 -0.002 0.000 0.303 382 G C 0.601 175.525 174.900 0.039 0.000 1.237 382 G CA 0.321 45.497 45.100 0.127 0.000 0.986 382 G HN 0.898 nan 8.290 nan 0.000 0.494 383 Q N -0.550 119.261 119.800 0.018 0.000 1.975 383 Q HA -0.192 4.147 4.340 -0.002 0.000 0.205 383 Q C 2.143 178.139 176.000 -0.006 0.000 0.990 383 Q CA 2.437 58.252 55.803 0.020 0.000 0.845 383 Q CB -0.294 28.457 28.738 0.022 0.000 0.913 383 Q HN 0.683 nan 8.270 nan 0.000 0.420 384 D N 0.268 120.635 120.400 -0.054 0.000 2.133 384 D HA -0.253 4.386 4.640 -0.002 0.000 0.192 384 D C 1.528 177.823 176.300 -0.009 0.000 1.001 384 D CA 1.969 55.943 54.000 -0.043 0.000 0.844 384 D CB -0.737 40.011 40.800 -0.087 0.000 0.944 384 D HN 0.520 nan 8.370 nan 0.000 0.447 385 E N -0.378 119.815 120.200 -0.012 0.000 2.110 385 E HA -0.109 4.240 4.350 -0.002 0.000 0.193 385 E C 2.171 178.811 176.600 0.066 0.000 0.988 385 E CA 0.356 56.781 56.400 0.042 0.000 0.804 385 E CB -0.117 29.627 29.700 0.073 0.000 0.745 385 E HN 0.161 nan 8.360 nan 0.000 0.458 386 L N 0.769 122.021 121.223 0.048 0.000 2.056 386 L HA -0.155 4.184 4.340 -0.002 0.000 0.207 386 L C 2.201 179.138 176.870 0.113 0.000 1.078 386 L CA 1.387 56.268 54.840 0.069 0.000 0.749 386 L CB -0.432 41.652 42.059 0.042 0.000 0.901 386 L HN 0.140 nan 8.230 nan 0.000 0.433 387 L N -0.974 120.292 121.223 0.071 0.000 2.079 387 L HA -0.241 4.098 4.340 -0.002 0.000 0.210 387 L C 2.148 179.057 176.870 0.066 0.000 1.081 387 L CA 1.126 56.002 54.840 0.060 0.000 0.752 387 L CB -0.742 41.337 42.059 0.033 0.000 0.896 387 L HN 0.277 nan 8.230 nan 0.000 0.433 388 D N -0.869 119.576 120.400 0.076 0.000 2.097 388 D HA -0.220 4.419 4.640 -0.002 0.000 0.197 388 D C 1.734 178.087 176.300 0.088 0.000 0.984 388 D CA 1.081 55.122 54.000 0.067 0.000 0.826 388 D CB -0.321 40.522 40.800 0.071 0.000 0.973 388 D HN 0.339 nan 8.370 nan 0.000 0.460 389 W N 1.042 122.303 121.300 -0.064 0.000 2.338 389 W HA -0.111 4.548 4.660 -0.002 0.000 0.304 389 W C 1.554 178.012 176.519 -0.101 0.000 1.212 389 W CA 0.869 58.153 57.345 -0.102 0.000 1.264 389 W CB -0.029 29.354 29.460 -0.129 0.000 1.142 389 W HN -0.093 nan 8.180 nan 0.000 0.512 390 L N 0.966 122.273 121.223 0.140 0.000 2.599 390 L HA 0.021 4.360 4.340 -0.002 0.000 0.230 390 L C 1.257 178.098 176.870 -0.048 0.000 1.141 390 L CA 0.880 55.733 54.840 0.023 0.000 0.877 390 L CB -2.063 40.062 42.059 0.110 0.000 1.009 390 L HN 0.014 nan 8.230 nan 0.000 0.447 391 Q N 1.181 120.952 119.800 -0.048 0.000 2.263 391 Q HA 0.111 4.450 4.340 -0.002 0.000 0.289 391 Q C 1.123 177.075 176.000 -0.081 0.000 1.061 391 Q CA 1.261 57.034 55.803 -0.049 0.000 0.927 391 Q CB 0.512 29.227 28.738 -0.038 0.000 1.154 391 Q HN 0.544 nan 8.270 nan 0.000 0.378 392 G N 3.888 112.654 108.800 -0.057 0.000 2.176 392 G HA2 -0.192 3.767 3.960 -0.002 0.000 0.253 392 G HA3 -0.192 3.767 3.960 -0.002 0.000 0.253 392 G C -0.221 174.641 174.900 -0.064 0.000 0.979 392 G CA 0.238 45.303 45.100 -0.060 0.000 0.641 392 G HN 0.587 nan 8.290 nan 0.000 0.530 393 E N 0.625 120.785 120.200 -0.067 0.000 2.216 393 E HA 0.310 4.659 4.350 -0.002 0.000 0.279 393 E C -1.112 175.469 176.600 -0.032 0.000 0.997 393 E CA -1.400 54.964 56.400 -0.060 0.000 0.817 393 E CB 2.149 31.803 29.700 -0.076 0.000 1.096 393 E HN 0.243 nan 8.360 nan 0.000 0.393 394 P HA -0.073 nan 4.420 nan 0.000 0.215 394 P C -0.035 177.260 177.300 -0.008 0.000 1.157 394 P CA 0.961 64.052 63.100 -0.015 0.000 0.859 394 P CB 0.711 32.402 31.700 -0.015 0.000 0.786 395 R N -0.269 120.227 120.500 -0.006 0.000 2.480 395 R HA 0.589 4.928 4.340 -0.002 0.000 0.306 395 R C -1.222 175.083 176.300 0.008 0.000 0.958 395 R CA -0.671 55.429 56.100 0.001 0.000 0.861 395 R CB 2.634 32.934 30.300 -0.001 0.000 1.171 395 R HN -0.139 nan 8.270 nan 0.000 0.445 396 V N 3.667 123.591 119.914 0.015 0.000 2.531 396 V HA 0.376 4.495 4.120 -0.002 0.000 0.301 396 V C -0.551 175.559 176.094 0.027 0.000 1.034 396 V CA -0.847 61.471 62.300 0.029 0.000 0.865 396 V CB 2.192 34.039 31.823 0.040 0.000 0.995 396 V HN 0.441 nan 8.190 nan 0.000 0.424 397 V N 6.106 126.037 119.914 0.028 0.000 2.350 397 V HA 0.406 4.525 4.120 -0.002 0.000 0.285 397 V C -0.298 175.814 176.094 0.030 0.000 1.014 397 V CA -0.555 61.755 62.300 0.017 0.000 0.831 397 V CB 1.445 33.263 31.823 -0.008 0.000 1.000 397 V HN 0.556 nan 8.190 nan 0.000 0.433 398 L N 6.474 127.722 121.223 0.041 0.000 2.417 398 L HA 0.654 4.993 4.340 -0.002 0.000 0.268 398 L C 0.268 177.181 176.870 0.073 0.000 1.158 398 L CA 0.503 55.379 54.840 0.059 0.000 0.819 398 L CB 1.381 43.473 42.059 0.055 0.000 1.112 398 L HN 0.621 nan 8.230 nan 0.000 0.458 399 V N -1.104 118.877 119.914 0.111 0.000 3.130 399 V HA 0.528 4.647 4.120 -0.002 0.000 0.308 399 V C -0.208 176.026 176.094 0.232 0.000 1.413 399 V CA -1.020 61.381 62.300 0.167 0.000 1.053 399 V CB 1.393 33.343 31.823 0.210 0.000 1.075 399 V HN 0.861 nan 8.190 nan 0.000 0.465 400 H N 0.412 119.550 119.070 0.113 0.000 2.727 400 H HA 0.040 4.595 4.556 -0.002 0.000 0.312 400 H C -0.201 175.122 175.328 -0.008 0.000 0.958 400 H CA 1.796 57.884 56.048 0.067 0.000 1.016 400 H CB -0.936 28.893 29.762 0.112 0.000 1.616 400 H HN 2.456 nan 8.280 nan 0.000 0.345 401 G N 3.071 111.852 108.800 -0.032 0.000 2.368 401 G HA2 0.169 4.128 3.960 -0.002 0.000 0.303 401 G HA3 0.169 4.128 3.960 -0.002 0.000 0.303 401 G C -1.062 173.805 174.900 -0.054 0.000 1.590 401 G CA -0.487 44.579 45.100 -0.057 0.000 0.938 401 G HN 0.353 nan 8.290 nan 0.000 0.675 402 E N 0.261 120.413 120.200 -0.080 0.000 2.392 402 E HA 0.091 4.440 4.350 -0.002 0.000 0.264 402 E C 1.093 177.681 176.600 -0.021 0.000 1.024 402 E CA 0.066 56.436 56.400 -0.049 0.000 0.903 402 E CB 1.774 31.440 29.700 -0.057 0.000 0.963 402 E HN 0.667 nan 8.360 nan 0.000 0.432 403 E N 2.690 122.886 120.200 -0.007 0.000 2.114 403 E HA -0.293 4.056 4.350 -0.002 0.000 0.199 403 E C 1.193 177.795 176.600 0.003 0.000 1.008 403 E CA 1.749 58.152 56.400 0.005 0.000 0.810 403 E CB 0.186 29.890 29.700 0.007 0.000 0.739 403 E HN 0.510 nan 8.360 nan 0.000 0.456 404 E N 0.202 120.401 120.200 -0.002 0.000 2.051 404 E HA -0.190 4.159 4.350 -0.002 0.000 0.192 404 E C 2.191 178.791 176.600 0.001 0.000 0.991 404 E CA 0.842 57.243 56.400 0.002 0.000 0.799 404 E CB -0.035 29.666 29.700 0.002 0.000 0.748 404 E HN 0.109 nan 8.360 nan 0.000 0.449 405 K N 0.685 121.077 120.400 -0.013 0.000 2.009 405 K HA -0.158 4.161 4.320 -0.002 0.000 0.210 405 K C 2.252 178.854 176.600 0.002 0.000 1.049 405 K CA 0.931 57.207 56.287 -0.018 0.000 0.929 405 K CB -0.522 31.942 32.500 -0.061 0.000 0.714 405 K HN 0.063 nan 8.250 nan 0.000 0.440 406 L N 1.285 122.512 121.223 0.005 0.000 1.970 406 L HA -0.183 4.156 4.340 -0.002 0.000 0.212 406 L C 2.434 179.317 176.870 0.022 0.000 1.071 406 L CA 1.348 56.200 54.840 0.021 0.000 0.751 406 L CB -0.916 41.159 42.059 0.027 0.000 0.889 406 L HN 0.133 nan 8.230 nan 0.000 0.432 407 L N -0.666 120.568 121.223 0.018 0.000 2.051 407 L HA -0.310 4.029 4.340 -0.002 0.000 0.214 407 L C 2.672 179.553 176.870 0.018 0.000 1.076 407 L CA 2.237 57.087 54.840 0.017 0.000 0.758 407 L CB -1.663 40.404 42.059 0.014 0.000 0.890 407 L HN 0.384 nan 8.230 nan 0.000 0.433 408 A N -0.425 122.406 122.820 0.018 0.000 1.865 408 A HA -0.251 4.068 4.320 -0.002 0.000 0.217 408 A C 2.401 179.999 177.584 0.024 0.000 1.191 408 A CA 1.940 53.990 52.037 0.021 0.000 0.623 408 A CB -0.814 18.200 19.000 0.023 0.000 0.826 408 A HN 0.425 nan 8.150 nan 0.000 0.444 409 L N -0.652 120.587 121.223 0.027 0.000 2.017 409 L HA -0.102 4.237 4.340 -0.002 0.000 0.208 409 L C 2.558 179.445 176.870 0.028 0.000 1.073 409 L CA 1.553 56.412 54.840 0.031 0.000 0.745 409 L CB -0.716 41.365 42.059 0.037 0.000 0.894 409 L HN 0.450 nan 8.230 nan 0.000 0.432 410 G N -0.417 108.399 108.800 0.027 0.000 2.485 410 G HA2 -0.343 3.616 3.960 -0.002 0.000 0.221 410 G HA3 -0.343 3.616 3.960 -0.002 0.000 0.221 410 G C 1.642 176.554 174.900 0.020 0.000 1.115 410 G CA 1.048 46.163 45.100 0.024 0.000 0.751 410 G HN 0.394 nan 8.290 nan 0.000 0.567 411 K N -0.041 120.370 120.400 0.019 0.000 2.025 411 K HA 0.096 4.415 4.320 -0.002 0.000 0.207 411 K C 2.480 179.090 176.600 0.016 0.000 1.049 411 K CA 0.642 56.939 56.287 0.016 0.000 0.933 411 K CB -0.253 32.257 32.500 0.016 0.000 0.714 411 K HN 0.335 nan 8.250 nan 0.000 0.438 412 L N 1.087 122.321 121.223 0.018 0.000 2.083 412 L HA -0.180 4.159 4.340 -0.002 0.000 0.209 412 L C 2.382 179.262 176.870 0.016 0.000 1.083 412 L CA 0.945 55.795 54.840 0.017 0.000 0.752 412 L CB -0.370 41.700 42.059 0.020 0.000 0.899 412 L HN 0.232 nan 8.230 nan 0.000 0.433 413 L N -0.434 120.800 121.223 0.019 0.000 2.191 413 L HA -0.175 4.164 4.340 -0.002 0.000 0.212 413 L C 2.833 179.710 176.870 0.012 0.000 1.103 413 L CA 0.901 55.752 54.840 0.017 0.000 0.769 413 L CB -0.654 41.418 42.059 0.022 0.000 0.908 413 L HN 0.252 nan 8.230 nan 0.000 0.438 414 A N 0.116 122.943 122.820 0.012 0.000 1.930 414 A HA -0.131 4.188 4.320 -0.002 0.000 0.217 414 A C 2.222 179.810 177.584 0.007 0.000 1.175 414 A CA 1.184 53.226 52.037 0.009 0.000 0.627 414 A CB -0.520 18.486 19.000 0.010 0.000 0.815 414 A HN 0.359 nan 8.150 nan 0.000 0.443 415 L N -1.356 119.872 121.223 0.008 0.000 2.141 415 L HA -0.080 4.259 4.340 -0.002 0.000 0.209 415 L C 2.619 179.492 176.870 0.005 0.000 1.094 415 L CA 1.368 56.212 54.840 0.007 0.000 0.763 415 L CB -0.323 41.740 42.059 0.008 0.000 0.908 415 L HN 0.373 nan 8.230 nan 0.000 0.437 416 R N 0.324 120.828 120.500 0.005 0.000 2.323 416 R HA -0.006 4.333 4.340 -0.002 0.000 0.198 416 R C 1.095 177.396 176.300 0.000 0.000 0.988 416 R CA 0.675 56.776 56.100 0.003 0.000 1.041 416 R CB -0.012 30.290 30.300 0.003 0.000 0.926 416 R HN 0.391 nan 8.270 nan 0.000 0.476 417 G N 0.450 109.251 108.800 0.002 0.000 2.136 417 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.242 417 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.242 417 G C -0.449 174.450 174.900 -0.001 0.000 0.989 417 G CA 0.052 45.152 45.100 -0.000 0.000 0.682 417 G HN 0.444 nan 8.290 nan 0.000 0.522 418 Q N 0.056 119.857 119.800 0.001 0.000 2.257 418 Q HA 0.440 4.779 4.340 -0.002 0.000 0.255 418 Q C 0.039 176.041 176.000 0.004 0.000 0.920 418 Q CA -0.535 55.268 55.803 0.001 0.000 0.927 418 Q CB 1.702 30.441 28.738 0.002 0.000 1.229 418 Q HN 0.466 nan 8.270 nan 0.000 0.433 419 E N 2.700 122.901 120.200 0.002 0.000 2.220 419 E HA 0.189 4.538 4.350 -0.002 0.000 0.272 419 E C -1.275 175.330 176.600 0.007 0.000 1.099 419 E CA -0.160 56.242 56.400 0.004 0.000 0.907 419 E CB 0.818 30.519 29.700 0.001 0.000 1.022 419 E HN 0.326 nan 8.360 nan 0.000 0.428 420 V N 3.475 123.395 119.914 0.010 0.000 3.158 420 V HA 0.769 4.888 4.120 -0.002 0.000 0.315 420 V C -1.141 174.961 176.094 0.013 0.000 1.148 420 V CA 0.168 62.477 62.300 0.014 0.000 1.042 420 V CB 2.342 34.177 31.823 0.019 0.000 1.101 420 V HN 0.896 nan 8.190 nan 0.000 0.448 421 S N 2.647 118.356 115.700 0.016 0.000 2.683 421 S HA 0.548 5.017 4.470 -0.002 0.000 0.278 421 S C -1.858 172.753 174.600 0.019 0.000 1.059 421 S CA -0.785 57.424 58.200 0.015 0.000 0.847 421 S CB 0.796 64.001 63.200 0.009 0.000 1.078 421 S HN 0.710 nan 8.310 nan 0.000 0.456 422 L N 1.981 123.217 121.223 0.022 0.000 2.343 422 L HA 0.826 5.165 4.340 -0.002 0.000 0.275 422 L C 0.891 177.777 176.870 0.027 0.000 1.056 422 L CA -0.181 54.676 54.840 0.029 0.000 0.804 422 L CB 1.054 43.133 42.059 0.034 0.000 1.203 422 L HN 1.073 nan 8.230 nan 0.000 0.440 423 A N 3.175 126.016 122.820 0.035 0.000 2.440 423 A HA 0.532 4.851 4.320 -0.002 0.000 0.251 423 A C 0.042 177.656 177.584 0.050 0.000 1.089 423 A CA -0.297 51.757 52.037 0.028 0.000 0.779 423 A CB 0.039 19.058 19.000 0.033 0.000 1.022 423 A HN 0.690 nan 8.150 nan 0.000 0.492 424 R N 1.502 122.020 120.500 0.030 0.000 2.343 424 R HA 0.277 4.616 4.340 -0.002 0.000 0.320 424 R C -0.782 175.554 176.300 0.060 0.000 0.956 424 R CA -0.531 55.607 56.100 0.062 0.000 0.836 424 R CB 1.324 31.649 30.300 0.042 0.000 1.151 424 R HN 0.730 nan 8.270 nan 0.000 0.450 425 F N 1.861 121.809 119.950 -0.003 0.000 2.623 425 F HA -0.096 4.430 4.527 -0.002 0.000 0.381 425 F C 1.536 177.299 175.800 -0.061 0.000 1.081 425 F CA 2.340 60.337 58.000 -0.006 0.000 1.293 425 F CB 0.505 39.543 39.000 0.064 0.000 1.006 425 F HN 0.919 nan 8.300 nan 0.000 0.578 426 G N 3.597 111.858 108.800 -0.898 0.000 2.284 426 G HA2 -0.398 3.561 3.960 -0.002 0.000 0.268 426 G HA3 -0.398 3.561 3.960 -0.002 0.000 0.268 426 G C 0.345 175.046 174.900 -0.331 0.000 0.980 426 G CA 0.596 45.320 45.100 -0.627 0.000 0.631 426 G HN 0.875 nan 8.290 nan 0.000 0.548 427 E N 1.011 121.075 120.200 -0.226 0.000 2.089 427 E HA 0.513 4.862 4.350 -0.002 0.000 0.284 427 E C 1.145 177.646 176.600 -0.166 0.000 1.023 427 E CA -0.065 56.258 56.400 -0.128 0.000 0.819 427 E CB 0.056 29.725 29.700 -0.051 0.000 1.076 427 E HN 0.406 nan 8.360 nan 0.000 0.396 428 G N 2.368 111.083 108.800 -0.142 0.000 2.594 428 G HA2 0.322 4.281 3.960 -0.002 0.000 0.243 428 G HA3 0.322 4.281 3.960 -0.002 0.000 0.243 428 G C -0.635 174.213 174.900 -0.086 0.000 1.229 428 G CA -0.416 44.607 45.100 -0.128 0.000 0.843 428 G HN 0.424 nan 8.290 nan 0.000 0.578 429 V N 3.613 123.479 119.914 -0.080 0.000 2.525 429 V HA 0.367 4.486 4.120 -0.002 0.000 0.299 429 V C -1.970 174.097 176.094 -0.044 0.000 1.034 429 V CA -1.341 60.925 62.300 -0.056 0.000 0.863 429 V CB 2.257 34.046 31.823 -0.057 0.000 0.999 429 V HN 0.741 nan 8.190 nan 0.000 0.423 430 P HA 0.257 nan 4.420 nan 0.000 0.271 430 P C -0.419 176.869 177.300 -0.020 0.000 1.218 430 P CA 0.159 63.244 63.100 -0.024 0.000 0.780 430 P CB 1.659 33.348 31.700 -0.018 0.000 0.901 431 V N 0.000 119.905 119.914 -0.016 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.295 62.300 -0.009 0.000 1.235 431 V CB 0.000 31.821 31.823 -0.004 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556