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 2abj_1_A DATA FIRST_RESID 19 DATA SEQUENCE VVGTFKAKDL IVTPATILKE KPDPNNLVFG TVFTDHMLTV EWSSEFGWEK DATA SEQUENCE PHIKPLQNLS LHPGSSALHY AVELFEGLKA FRGVDNKIRL FQPNLNMDRM DATA SEQUENCE YRSAVRATLP VFDKEELLEC IQQLVKLDQE WVPYSTSASL YIRPAFIGTE DATA SEQUENCE PSLGVKKPTK ALLFVLLSPV GPYFSSGTFN PVSLWANPKY VRAWKGGTGD DATA SEQUENCE CKMGGNYGSS LFAQCEDVDN GCQQVLWLYG RDHQITEVGT MNLFLYWINE DATA SEQUENCE DGEEELATPP LDGIILPGVT RRCILDLAHQ WGEFKVSERY LTMDDLTTAL DATA SEQUENCE EGNRVREMFS SGTACVVCPV SDILYKGETI HIPTMENGPK LASRILSKLT DATA SEQUENCE DIQYGREESD WTIVLS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 19 V HA 0.000 nan 4.120 nan 0.000 0.244 19 V C 0.000 176.182 176.094 0.146 0.000 1.182 19 V CA 0.000 62.357 62.300 0.095 0.000 1.235 19 V CB 0.000 31.882 31.823 0.099 0.000 1.184 20 V N 2.964 122.998 119.914 0.200 0.000 2.364 20 V HA 0.806 4.926 4.120 0.000 0.000 0.272 20 V C 1.581 177.910 176.094 0.391 0.000 1.036 20 V CA 0.867 63.324 62.300 0.262 0.000 0.880 20 V CB 0.821 32.808 31.823 0.273 0.000 0.991 20 V HN 0.637 nan 8.190 nan 0.000 0.460 21 G N 4.641 113.633 108.800 0.320 0.000 2.443 21 G HA2 0.058 4.018 3.960 0.000 0.000 0.219 21 G HA3 0.058 4.018 3.960 0.000 0.000 0.219 21 G C 0.700 175.872 174.900 0.453 0.000 1.131 21 G CA 1.052 46.369 45.100 0.361 0.000 0.775 21 G HN 0.953 nan 8.290 nan 0.000 0.547 22 T N -0.836 113.903 114.554 0.307 0.000 2.942 22 T HA 0.455 4.805 4.350 0.000 0.000 0.327 22 T C -0.663 174.000 174.700 -0.062 0.000 1.360 22 T CA -1.018 61.039 62.100 -0.071 0.000 1.055 22 T CB 0.665 69.355 68.868 -0.297 0.000 1.261 22 T HN 0.296 nan 8.240 nan 0.000 0.485 23 F N 2.036 121.858 119.950 -0.214 0.000 2.490 23 F HA 0.710 5.237 4.527 0.000 0.000 0.336 23 F C 0.199 175.944 175.800 -0.090 0.000 1.178 23 F CA -0.456 57.495 58.000 -0.082 0.000 1.301 23 F CB 0.282 39.186 39.000 -0.161 0.000 1.175 23 F HN 0.408 nan 8.300 nan 0.000 0.593 24 K N 1.356 121.826 120.400 0.118 0.000 2.397 24 K HA 0.587 4.907 4.320 0.000 0.000 0.253 24 K C 0.382 177.029 176.600 0.078 0.000 0.932 24 K CA -0.576 55.724 56.287 0.021 0.000 0.795 24 K CB 2.053 34.559 32.500 0.011 0.000 1.159 24 K HN 0.733 nan 8.250 nan 0.000 0.424 25 A N 2.714 125.561 122.820 0.045 0.000 1.940 25 A HA -0.208 4.112 4.320 0.000 0.000 0.219 25 A C 1.980 179.574 177.584 0.016 0.000 1.176 25 A CA 1.642 53.702 52.037 0.039 0.000 0.631 25 A CB -0.318 18.692 19.000 0.017 0.000 0.814 25 A HN 0.833 nan 8.150 nan 0.000 0.446 26 K N -0.528 119.878 120.400 0.009 0.000 2.173 26 K HA -0.218 4.102 4.320 0.000 0.000 0.207 26 K C 0.349 176.951 176.600 0.004 0.000 1.046 26 K CA 1.787 58.076 56.287 0.004 0.000 0.929 26 K CB -0.184 32.319 32.500 0.004 0.000 0.720 26 K HN 0.424 nan 8.250 nan 0.000 0.453 27 D N 0.572 120.980 120.400 0.015 0.000 2.339 27 D HA -0.013 4.627 4.640 0.000 0.000 0.217 27 D C -0.015 176.267 176.300 -0.030 0.000 1.050 27 D CA -0.107 53.897 54.000 0.007 0.000 0.856 27 D CB 0.075 40.899 40.800 0.040 0.000 0.922 27 D HN 0.054 nan 8.370 nan 0.000 0.518 28 L N 1.535 122.739 121.223 -0.032 0.000 2.601 28 L HA 0.011 4.351 4.340 0.000 0.000 0.277 28 L C 0.075 176.868 176.870 -0.128 0.000 1.219 28 L CA 0.451 55.247 54.840 -0.073 0.000 0.915 28 L CB -0.045 41.987 42.059 -0.046 0.000 1.160 28 L HN -0.056 nan 8.230 nan 0.000 0.494 29 I N 5.726 126.151 120.570 -0.242 0.000 2.354 29 I HA 0.257 4.427 4.170 0.000 0.000 0.286 29 I C -0.351 175.656 176.117 -0.185 0.000 1.007 29 I CA -0.654 60.481 61.300 -0.275 0.000 1.167 29 I CB 1.606 39.292 38.000 -0.523 0.000 1.320 29 I HN 0.359 nan 8.210 nan 0.000 0.458 30 V N 5.298 125.155 119.914 -0.096 0.000 2.398 30 V HA 0.524 4.644 4.120 0.000 0.000 0.286 30 V C -0.111 175.971 176.094 -0.019 0.000 1.026 30 V CA 0.224 62.489 62.300 -0.059 0.000 0.868 30 V CB 1.739 33.513 31.823 -0.083 0.000 0.982 30 V HN 0.738 nan 8.190 nan 0.000 0.443 31 T N 8.903 123.470 114.554 0.022 0.000 3.053 31 T HA 0.430 4.780 4.350 0.000 0.000 0.363 31 T C -2.693 172.067 174.700 0.100 0.000 1.239 31 T CA -0.899 61.238 62.100 0.061 0.000 1.071 31 T CB 0.966 69.890 68.868 0.093 0.000 1.089 31 T HN 0.666 nan 8.240 nan 0.000 0.527 32 P HA 0.222 nan 4.420 nan 0.000 0.266 32 P C -0.254 177.203 177.300 0.262 0.000 1.195 32 P CA -0.248 62.970 63.100 0.196 0.000 0.768 32 P CB 0.414 32.175 31.700 0.102 0.000 0.838 33 A N 2.542 125.602 122.820 0.399 0.000 2.445 33 A HA 0.252 4.572 4.320 0.000 0.000 0.242 33 A C 1.403 179.044 177.584 0.097 0.000 1.075 33 A CA 0.523 52.628 52.037 0.113 0.000 0.777 33 A CB -0.414 18.534 19.000 -0.087 0.000 1.013 33 A HN 0.659 nan 8.150 nan 0.000 0.493 34 T N -0.556 114.030 114.554 0.054 0.000 3.051 34 T HA 0.256 4.606 4.350 0.000 0.000 0.255 34 T C 0.459 175.182 174.700 0.039 0.000 1.085 34 T CA 0.340 62.468 62.100 0.047 0.000 1.109 34 T CB -0.058 68.830 68.868 0.034 0.000 0.921 34 T HN 0.370 nan 8.240 nan 0.000 0.488 35 I N 2.113 122.701 120.570 0.030 0.000 2.433 35 I HA 0.492 4.662 4.170 0.000 0.000 0.292 35 I C -0.509 175.630 176.117 0.037 0.000 1.001 35 I CA -1.616 59.702 61.300 0.029 0.000 1.119 35 I CB 1.762 39.774 38.000 0.020 0.000 1.289 35 I HN 0.189 nan 8.210 nan 0.000 0.438 36 L N 5.374 126.628 121.223 0.053 0.000 2.317 36 L HA 0.474 4.814 4.340 0.000 0.000 0.281 36 L C 0.378 177.302 176.870 0.091 0.000 1.024 36 L CA -0.863 54.028 54.840 0.084 0.000 0.810 36 L CB 1.653 43.768 42.059 0.093 0.000 1.240 36 L HN 0.479 nan 8.230 nan 0.000 0.427 37 K N 1.789 122.291 120.400 0.170 0.000 2.154 37 K HA 0.261 4.581 4.320 0.000 0.000 0.264 37 K C -0.420 176.221 176.600 0.068 0.000 1.008 37 K CA -0.578 55.814 56.287 0.176 0.000 0.937 37 K CB 0.927 33.625 32.500 0.328 0.000 1.002 37 K HN 0.485 nan 8.250 nan 0.000 0.469 38 E N 2.362 122.569 120.200 0.012 0.000 2.373 38 E HA 0.004 4.354 4.350 0.000 0.000 0.267 38 E C -0.382 176.100 176.600 -0.197 0.000 1.032 38 E CA -0.170 56.174 56.400 -0.094 0.000 0.889 38 E CB 0.661 30.332 29.700 -0.049 0.000 0.984 38 E HN 0.151 nan 8.360 nan 0.000 0.425 39 K N 3.316 123.480 120.400 -0.394 0.000 2.202 39 K HA 0.262 4.582 4.320 0.000 0.000 0.264 39 K C -1.975 174.524 176.600 -0.169 0.000 1.010 39 K CA -1.504 54.471 56.287 -0.519 0.000 0.940 39 K CB -0.110 32.054 32.500 -0.561 0.000 0.983 39 K HN 0.418 nan 8.250 nan 0.000 0.475 40 P HA 0.119 nan 4.420 nan 0.000 0.282 40 P C -0.645 176.652 177.300 -0.004 0.000 1.259 40 P CA -0.510 62.595 63.100 0.009 0.000 0.826 40 P CB 0.556 32.296 31.700 0.067 0.000 1.064 41 D N 2.239 122.636 120.400 -0.005 0.000 2.412 41 D HA -0.005 4.635 4.640 0.000 0.000 0.257 41 D C -1.164 175.141 176.300 0.008 0.000 1.217 41 D CA -1.581 52.418 54.000 -0.003 0.000 0.897 41 D CB 0.559 41.354 40.800 -0.008 0.000 1.132 41 D HN 0.169 nan 8.370 nan 0.000 0.493 42 P HA -0.095 nan 4.420 nan 0.000 0.225 42 P C 0.434 177.739 177.300 0.009 0.000 1.148 42 P CA 0.598 63.717 63.100 0.031 0.000 0.779 42 P CB 0.414 32.151 31.700 0.061 0.000 0.780 43 N N 0.009 118.710 118.700 0.002 0.000 2.467 43 N HA -0.001 4.739 4.740 0.000 0.000 0.184 43 N C 0.384 175.877 175.510 -0.028 0.000 1.106 43 N CA 0.515 53.557 53.050 -0.012 0.000 0.892 43 N CB -0.195 38.290 38.487 -0.004 0.000 0.969 43 N HN 0.222 nan 8.380 nan 0.000 0.454 44 N N 0.687 119.372 118.700 -0.025 0.000 2.553 44 N HA 0.206 4.946 4.740 0.000 0.000 0.298 44 N C -0.743 174.743 175.510 -0.039 0.000 1.596 44 N CA -0.052 52.979 53.050 -0.033 0.000 0.910 44 N CB 1.111 39.585 38.487 -0.023 0.000 1.336 44 N HN 0.094 nan 8.380 nan 0.000 0.497 45 L N 0.756 121.949 121.223 -0.050 0.000 2.292 45 L HA 0.471 4.811 4.340 0.000 0.000 0.284 45 L C 0.124 176.941 176.870 -0.087 0.000 1.065 45 L CA -0.777 54.029 54.840 -0.058 0.000 0.806 45 L CB 1.489 43.523 42.059 -0.043 0.000 1.175 45 L HN -0.225 nan 8.230 nan 0.000 0.431 46 V N 3.423 123.286 119.914 -0.085 0.000 2.398 46 V HA 0.213 4.333 4.120 0.000 0.000 0.286 46 V C -0.035 176.011 176.094 -0.080 0.000 1.026 46 V CA -0.666 61.586 62.300 -0.081 0.000 0.868 46 V CB 1.433 33.218 31.823 -0.063 0.000 0.982 46 V HN 0.463 nan 8.190 nan 0.000 0.443 47 F N 4.543 124.386 119.950 -0.177 0.000 2.623 47 F HA 0.410 4.937 4.527 -0.000 0.000 0.383 47 F C 1.343 177.032 175.800 -0.185 0.000 1.077 47 F CA 1.300 59.199 58.000 -0.168 0.000 1.268 47 F CB 0.351 39.286 39.000 -0.108 0.000 1.053 47 F HN 0.880 nan 8.300 nan 0.000 0.571 48 G N 3.642 111.731 108.800 -1.186 0.000 2.203 48 G HA2 -0.373 3.587 3.960 0.000 0.000 0.263 48 G HA3 -0.373 3.587 3.960 0.000 0.000 0.263 48 G C 0.731 175.227 174.900 -0.673 0.000 1.012 48 G CA 0.926 45.382 45.100 -1.073 0.000 0.749 48 G HN 1.254 nan 8.290 nan 0.000 0.512 49 T N -3.798 110.426 114.554 -0.550 0.000 3.018 49 T HA 0.437 4.787 4.350 0.000 0.000 0.246 49 T C 1.123 175.563 174.700 -0.434 0.000 1.026 49 T CA 1.035 62.921 62.100 -0.356 0.000 1.081 49 T CB 0.456 69.227 68.868 -0.162 0.000 0.970 49 T HN 1.623 nan 8.240 nan 0.000 0.475 50 V N 0.103 119.703 119.914 -0.522 0.000 2.483 50 V HA 0.810 4.930 4.120 0.000 0.000 0.295 50 V C -1.326 174.393 176.094 -0.625 0.000 1.035 50 V CA -1.498 60.586 62.300 -0.361 0.000 0.896 50 V CB 0.785 32.559 31.823 -0.082 0.000 0.986 50 V HN 0.240 nan 8.190 nan 0.000 0.447 51 F N 2.740 122.583 119.950 -0.178 0.000 2.538 51 F HA 0.735 5.262 4.527 0.000 0.000 0.325 51 F C 1.146 176.561 175.800 -0.641 0.000 1.066 51 F CA -0.100 57.712 58.000 -0.312 0.000 0.946 51 F CB 2.290 41.157 39.000 -0.222 0.000 1.199 51 F HN 0.896 nan 8.300 nan 0.000 0.473 52 T N -2.771 111.338 114.554 -0.742 0.000 2.773 52 T HA 0.086 4.436 4.350 0.000 0.000 0.337 52 T C 0.720 174.943 174.700 -0.796 0.000 1.086 52 T CA -0.311 60.811 62.100 -1.631 0.000 0.998 52 T CB 0.477 68.468 68.868 -1.462 0.000 1.281 52 T HN 0.531 nan 8.240 nan 0.000 0.525 53 D N -0.095 119.950 120.400 -0.591 0.000 2.194 53 D HA 0.055 4.695 4.640 0.000 0.000 0.204 53 D C 0.407 176.407 176.300 -0.499 0.000 0.964 53 D CA 1.251 55.047 54.000 -0.339 0.000 0.846 53 D CB -0.017 40.657 40.800 -0.210 0.000 0.962 53 D HN 0.629 nan 8.370 nan 0.000 0.490 54 H N -1.284 117.719 119.070 -0.112 0.000 2.771 54 H HA 0.511 5.067 4.556 0.000 0.000 0.367 54 H C 0.027 175.308 175.328 -0.079 0.000 1.172 54 H CA -0.862 55.147 56.048 -0.065 0.000 1.186 54 H CB 1.991 31.740 29.762 -0.022 0.000 1.790 54 H HN -0.163 nan 8.280 nan 0.000 0.556 55 M N 0.950 120.602 119.600 0.088 0.000 2.593 55 M HA 0.511 4.991 4.480 0.000 0.000 0.290 55 M C -1.825 174.502 176.300 0.044 0.000 1.244 55 M CA -1.287 54.035 55.300 0.037 0.000 0.857 55 M CB 2.478 35.075 32.600 -0.004 0.000 1.738 55 M HN 0.424 nan 8.290 nan 0.000 0.461 56 L N 2.317 123.556 121.223 0.028 0.000 2.307 56 L HA 0.791 5.131 4.340 0.000 0.000 0.282 56 L C -0.633 176.251 176.870 0.024 0.000 1.051 56 L CA 0.560 55.401 54.840 0.001 0.000 0.804 56 L CB 1.750 43.774 42.059 -0.058 0.000 1.197 56 L HN 0.955 nan 8.230 nan 0.000 0.431 57 T N 2.082 116.645 114.554 0.014 0.000 2.893 57 T HA 0.798 5.148 4.350 0.000 0.000 0.293 57 T C -1.005 173.683 174.700 -0.021 0.000 1.027 57 T CA -0.736 61.377 62.100 0.023 0.000 0.988 57 T CB 1.546 70.418 68.868 0.007 0.000 1.043 57 T HN 0.401 nan 8.240 nan 0.000 0.461 58 V N 1.819 121.710 119.914 -0.038 0.000 2.612 58 V HA 0.492 4.612 4.120 0.000 0.000 0.301 58 V C -0.494 175.732 176.094 0.221 0.000 1.059 58 V CA -0.972 61.324 62.300 -0.006 0.000 0.886 58 V CB 1.708 33.276 31.823 -0.425 0.000 1.007 58 V HN 0.927 nan 8.190 nan 0.000 0.426 59 E N 2.301 122.644 120.200 0.239 0.000 2.313 59 E HA 0.371 4.721 4.350 0.000 0.000 0.272 59 E C -1.175 175.609 176.600 0.306 0.000 1.038 59 E CA -0.244 56.297 56.400 0.236 0.000 0.863 59 E CB 2.586 32.363 29.700 0.129 0.000 1.060 59 E HN 0.751 nan 8.360 nan 0.000 0.402 60 W N 1.287 122.540 121.300 -0.079 0.000 3.032 60 W HA 0.356 5.016 4.660 0.000 0.000 0.335 60 W C -1.019 175.402 176.519 -0.163 0.000 1.154 60 W CA -0.417 56.730 57.345 -0.331 0.000 1.204 60 W CB 1.350 30.198 29.460 -1.021 0.000 1.416 60 W HN 0.447 nan 8.180 nan 0.000 0.521 61 S N 1.552 116.626 115.700 -1.043 0.000 2.564 61 S HA 0.360 4.830 4.470 0.000 0.000 0.274 61 S C 0.456 173.925 174.600 -1.884 0.000 1.124 61 S CA -0.100 57.437 58.200 -1.105 0.000 0.869 61 S CB 1.404 64.352 63.200 -0.420 0.000 1.105 61 S HN 0.854 nan 8.310 nan 0.000 0.472 62 S N 0.609 115.442 115.700 -1.446 0.000 2.399 62 S HA -0.184 4.286 4.470 0.000 0.000 0.231 62 S C 1.456 175.717 174.600 -0.565 0.000 1.022 62 S CA 1.311 58.996 58.200 -0.859 0.000 0.983 62 S CB -0.744 62.258 63.200 -0.330 0.000 0.803 62 S HN 0.851 nan 8.310 nan 0.000 0.480 63 E N 0.391 120.240 120.200 -0.585 0.000 2.028 63 E HA -0.069 4.281 4.350 0.000 0.000 0.191 63 E C 0.901 177.064 176.600 -0.728 0.000 0.988 63 E CA 1.316 57.306 56.400 -0.684 0.000 0.799 63 E CB -0.097 29.062 29.700 -0.901 0.000 0.755 63 E HN 0.681 nan 8.360 nan 0.000 0.447 64 F N -0.520 119.268 119.950 -0.271 0.000 2.678 64 F HA 0.362 4.889 4.527 0.000 0.000 0.305 64 F C 1.175 176.868 175.800 -0.178 0.000 1.090 64 F CA 0.395 58.290 58.000 -0.175 0.000 1.272 64 F CB 0.806 39.732 39.000 -0.124 0.000 1.060 64 F HN 0.240 nan 8.300 nan 0.000 0.576 65 G N 0.149 108.788 108.800 -0.269 0.000 2.562 65 G HA2 -0.318 3.642 3.960 0.000 0.000 0.250 65 G HA3 -0.318 3.642 3.960 0.000 0.000 0.250 65 G C -0.671 174.161 174.900 -0.113 0.000 1.269 65 G CA -0.661 44.302 45.100 -0.228 0.000 0.919 65 G HN 0.199 nan 8.290 nan 0.000 0.574 66 W N 1.504 123.026 121.300 0.371 0.000 2.304 66 W HA 0.573 5.233 4.660 0.000 0.000 0.313 66 W C 0.796 177.479 176.519 0.272 0.000 1.323 66 W CA 0.129 57.742 57.345 0.446 0.000 1.223 66 W CB 0.839 30.623 29.460 0.540 0.000 1.237 66 W HN 0.756 nan 8.180 nan 0.000 0.535 67 E N 2.413 122.907 120.200 0.489 0.000 2.376 67 E HA 0.159 4.509 4.350 0.000 0.000 0.254 67 E C -0.204 176.596 176.600 0.333 0.000 1.213 67 E CA -0.258 56.331 56.400 0.314 0.000 0.945 67 E CB 0.564 30.399 29.700 0.225 0.000 1.057 67 E HN 0.192 nan 8.360 nan 0.000 0.479 68 K N 2.265 122.805 120.400 0.234 0.000 2.350 68 K HA 0.180 4.500 4.320 0.000 0.000 0.279 68 K C -2.108 174.595 176.600 0.172 0.000 1.027 68 K CA -1.474 54.917 56.287 0.173 0.000 0.969 68 K CB 0.372 32.916 32.500 0.072 0.000 0.954 68 K HN 0.402 nan 8.250 nan 0.000 0.474 69 P HA 0.062 nan 4.420 nan 0.000 0.275 69 P C -1.045 176.227 177.300 -0.046 0.000 1.227 69 P CA 0.109 63.205 63.100 -0.007 0.000 0.781 69 P CB 0.752 32.399 31.700 -0.088 0.000 0.906 70 H N 2.224 121.260 119.070 -0.055 0.000 2.505 70 H HA 0.416 4.972 4.556 0.000 0.000 0.338 70 H C -0.056 175.248 175.328 -0.039 0.000 1.057 70 H CA -0.700 55.328 56.048 -0.033 0.000 1.202 70 H CB 1.587 31.338 29.762 -0.019 0.000 1.466 70 H HN 0.298 nan 8.280 nan 0.000 0.499 71 I N 4.823 125.415 120.570 0.036 0.000 2.315 71 I HA 0.216 4.386 4.170 0.000 0.000 0.291 71 I C 0.035 176.191 176.117 0.066 0.000 1.006 71 I CA -0.220 61.094 61.300 0.022 0.000 1.265 71 I CB 0.757 38.727 38.000 -0.050 0.000 1.387 71 I HN 0.498 nan 8.210 nan 0.000 0.475 72 K N 5.804 126.274 120.400 0.117 0.000 2.499 72 K HA 0.659 4.979 4.320 0.000 0.000 0.277 72 K C -3.168 173.556 176.600 0.207 0.000 1.025 72 K CA -2.092 54.291 56.287 0.160 0.000 0.900 72 K CB 1.345 33.909 32.500 0.107 0.000 1.494 72 K HN 0.003 nan 8.250 nan 0.000 0.442 73 P HA -0.025 nan 4.420 nan 0.000 0.266 73 P C -0.533 176.732 177.300 -0.058 0.000 1.195 73 P CA -0.401 62.690 63.100 -0.015 0.000 0.768 73 P CB 0.295 31.975 31.700 -0.034 0.000 0.838 74 L N 4.087 125.238 121.223 -0.121 0.000 2.559 74 L HA 0.042 4.382 4.340 0.000 0.000 0.274 74 L C 0.214 177.005 176.870 -0.132 0.000 1.205 74 L CA 1.359 56.118 54.840 -0.136 0.000 0.907 74 L CB -0.601 41.359 42.059 -0.166 0.000 1.153 74 L HN 0.448 nan 8.230 nan 0.000 0.490 75 Q N 2.672 122.381 119.800 -0.153 0.000 2.575 75 Q HA 0.453 4.793 4.340 0.000 0.000 0.290 75 Q C -1.086 174.803 176.000 -0.185 0.000 0.963 75 Q CA -1.196 54.521 55.803 -0.143 0.000 0.783 75 Q CB 0.668 29.340 28.738 -0.109 0.000 1.467 75 Q HN 0.507 nan 8.270 nan 0.000 0.402 76 N N 0.527 119.131 118.700 -0.161 0.000 2.374 76 N HA 0.195 4.935 4.740 0.000 0.000 0.241 76 N C -0.657 174.741 175.510 -0.188 0.000 1.262 76 N CA 0.212 53.158 53.050 -0.173 0.000 0.880 76 N CB 0.299 38.709 38.487 -0.127 0.000 1.105 76 N HN 0.427 nan 8.380 nan 0.000 0.438 77 L N 0.365 121.458 121.223 -0.217 0.000 2.312 77 L HA 0.259 4.599 4.340 0.000 0.000 0.281 77 L C 0.752 177.543 176.870 -0.131 0.000 1.070 77 L CA -0.445 54.269 54.840 -0.211 0.000 0.805 77 L CB 1.194 43.080 42.059 -0.288 0.000 1.174 77 L HN 0.367 nan 8.230 nan 0.000 0.434 78 S N 3.696 119.336 115.700 -0.099 0.000 2.404 78 S HA 0.571 5.041 4.470 0.000 0.000 0.309 78 S C -0.628 173.952 174.600 -0.034 0.000 1.076 78 S CA -0.587 57.575 58.200 -0.063 0.000 1.095 78 S CB 0.018 63.185 63.200 -0.054 0.000 0.972 78 S HN 0.282 nan 8.310 nan 0.000 0.484 79 L N 5.304 126.515 121.223 -0.021 0.000 2.362 79 L HA 0.425 4.765 4.340 0.000 0.000 0.275 79 L C 0.357 177.256 176.870 0.049 0.000 0.998 79 L CA -0.671 54.184 54.840 0.026 0.000 0.820 79 L CB 1.420 43.491 42.059 0.021 0.000 1.270 79 L HN 0.704 nan 8.230 nan 0.000 0.415 80 H N 5.904 124.980 119.070 0.010 0.000 3.094 80 H HA 0.022 4.578 4.556 0.000 0.000 0.320 80 H C -1.567 173.782 175.328 0.036 0.000 1.000 80 H CA -0.544 55.515 56.048 0.018 0.000 1.413 80 H CB 1.276 31.050 29.762 0.020 0.000 1.405 80 H HN 0.385 nan 8.280 nan 0.000 0.586 81 P HA -0.065 nan 4.420 nan 0.000 0.228 81 P C 1.105 178.578 177.300 0.288 0.000 1.151 81 P CA 1.194 64.315 63.100 0.035 0.000 0.770 81 P CB -0.019 31.638 31.700 -0.071 0.000 0.786 82 G N -0.423 108.665 108.800 0.479 0.000 2.985 82 G HA2 -0.025 3.935 3.960 0.000 0.000 0.209 82 G HA3 -0.025 3.935 3.960 0.000 0.000 0.209 82 G C 0.422 175.420 174.900 0.163 0.000 1.165 82 G CA -0.076 45.183 45.100 0.265 0.000 0.776 82 G HN 0.173 nan 8.290 nan 0.000 0.541 83 S N 1.135 116.985 115.700 0.251 0.000 2.626 83 S HA 0.064 4.534 4.470 0.000 0.000 0.303 83 S C 1.879 176.589 174.600 0.183 0.000 1.256 83 S CA 0.421 58.723 58.200 0.171 0.000 1.069 83 S CB 1.058 64.348 63.200 0.151 0.000 0.807 83 S HN 0.566 nan 8.310 nan 0.000 0.500 84 S N 3.366 119.143 115.700 0.129 0.000 2.442 84 S HA -0.159 4.311 4.470 0.000 0.000 0.236 84 S C 1.908 176.583 174.600 0.125 0.000 1.007 84 S CA 0.634 58.917 58.200 0.138 0.000 0.965 84 S CB -0.431 62.886 63.200 0.196 0.000 0.773 84 S HN 0.829 nan 8.310 nan 0.000 0.504 85 A N 1.676 124.566 122.820 0.115 0.000 2.019 85 A HA 0.178 4.498 4.320 0.000 0.000 0.219 85 A C 2.159 179.778 177.584 0.058 0.000 1.164 85 A CA 1.181 53.278 52.037 0.100 0.000 0.644 85 A CB -0.628 18.443 19.000 0.119 0.000 0.805 85 A HN 0.591 nan 8.150 nan 0.000 0.449 86 L N -2.257 118.982 121.223 0.026 0.000 2.477 86 L HA 0.081 4.421 4.340 0.000 0.000 0.220 86 L C 2.194 178.883 176.870 -0.301 0.000 1.106 86 L CA 0.414 55.188 54.840 -0.111 0.000 0.851 86 L CB -0.306 41.668 42.059 -0.141 0.000 0.994 86 L HN 0.459 nan 8.230 nan 0.000 0.462 87 H N -1.704 117.224 119.070 -0.236 0.000 2.430 87 H HA 0.127 4.683 4.556 0.000 0.000 0.297 87 H C 0.630 175.677 175.328 -0.468 0.000 1.016 87 H CA 0.804 56.549 56.048 -0.505 0.000 1.294 87 H CB 0.747 29.927 29.762 -0.969 0.000 1.465 87 H HN 0.193 nan 8.280 nan 0.000 0.547 88 Y N -0.052 120.351 120.300 0.172 0.000 2.706 88 Y HA 0.517 5.067 4.550 0.000 0.000 0.255 88 Y C 1.034 176.984 175.900 0.083 0.000 1.163 88 Y CA -0.234 57.931 58.100 0.108 0.000 1.174 88 Y CB 0.286 38.798 38.460 0.087 0.000 1.200 88 Y HN 0.183 nan 8.280 nan 0.000 0.544 89 A N -0.285 122.632 122.820 0.162 0.000 2.745 89 A HA -0.203 4.117 4.320 0.000 0.000 0.296 89 A C 0.025 177.683 177.584 0.124 0.000 1.500 89 A CA 0.740 52.857 52.037 0.133 0.000 0.766 89 A CB -2.313 16.767 19.000 0.134 0.000 1.030 89 A HN 0.145 nan 8.150 nan 0.000 0.489 90 V N 1.320 121.307 119.914 0.121 0.000 2.302 90 V HA 0.447 4.567 4.120 0.000 0.000 0.244 90 V C 0.483 176.604 176.094 0.045 0.000 1.160 90 V CA 1.127 63.469 62.300 0.070 0.000 1.127 90 V CB -0.660 31.209 31.823 0.076 0.000 1.253 90 V HN 0.861 nan 8.190 nan 0.000 0.496 91 E N 5.668 125.896 120.200 0.047 0.000 2.388 91 E HA 0.715 5.065 4.350 0.000 0.000 0.281 91 E C -1.782 174.879 176.600 0.101 0.000 1.046 91 E CA -1.072 55.377 56.400 0.082 0.000 0.825 91 E CB 2.428 32.213 29.700 0.142 0.000 1.243 91 E HN 0.269 nan 8.360 nan 0.000 0.438 92 L N -0.944 120.360 121.223 0.135 0.000 2.568 92 L HA 0.807 5.147 4.340 0.000 0.000 0.257 92 L C -1.471 175.526 176.870 0.211 0.000 1.024 92 L CA -0.920 54.004 54.840 0.140 0.000 0.854 92 L CB 1.130 43.216 42.059 0.044 0.000 1.460 92 L HN 0.831 nan 8.230 nan 0.000 0.409 93 F N -1.256 118.711 119.950 0.027 0.000 2.664 93 F HA 0.946 5.473 4.527 0.000 0.000 0.317 93 F C -0.591 175.209 175.800 0.000 0.000 1.108 93 F CA -0.574 57.415 58.000 -0.020 0.000 0.957 93 F CB 1.497 40.471 39.000 -0.044 0.000 1.365 93 F HN 0.559 nan 8.300 nan 0.000 0.475 94 E N -0.203 120.070 120.200 0.121 0.000 2.423 94 E HA 0.702 5.052 4.350 0.000 0.000 0.269 94 E C -1.258 175.443 176.600 0.169 0.000 0.948 94 E CA -1.085 55.343 56.400 0.046 0.000 0.802 94 E CB 2.084 31.781 29.700 -0.006 0.000 1.339 94 E HN 1.048 nan 8.360 nan 0.000 0.445 95 G N 1.170 110.030 108.800 0.100 0.000 2.668 95 G HA2 0.543 4.503 3.960 0.000 0.000 0.284 95 G HA3 0.543 4.503 3.960 0.000 0.000 0.284 95 G C -1.235 173.669 174.900 0.007 0.000 1.456 95 G CA -0.449 44.678 45.100 0.044 0.000 1.214 95 G HN 0.162 nan 8.290 nan 0.000 0.568 96 L N -1.296 119.816 121.223 -0.184 0.000 2.630 96 L HA 0.827 5.167 4.340 0.000 0.000 0.258 96 L C -0.911 175.894 176.870 -0.109 0.000 1.072 96 L CA -1.910 52.911 54.840 -0.031 0.000 0.885 96 L CB 0.969 43.033 42.059 0.008 0.000 1.502 96 L HN 0.488 nan 8.230 nan 0.000 0.406 97 K N 0.142 120.526 120.400 -0.028 0.000 2.435 97 K HA 0.910 5.230 4.320 0.000 0.000 0.251 97 K C -1.109 175.286 176.600 -0.341 0.000 0.954 97 K CA -0.615 55.524 56.287 -0.247 0.000 0.820 97 K CB 2.733 34.959 32.500 -0.456 0.000 1.292 97 K HN 0.967 nan 8.250 nan 0.000 0.436 98 A N 2.209 124.770 122.820 -0.430 0.000 2.317 98 A HA 0.762 5.082 4.320 0.000 0.000 0.327 98 A C -1.268 175.985 177.584 -0.552 0.000 1.178 98 A CA -0.493 51.361 52.037 -0.304 0.000 0.817 98 A CB 0.110 19.038 19.000 -0.122 0.000 1.189 98 A HN 0.550 nan 8.150 nan 0.000 0.489 99 F N 0.964 120.859 119.950 -0.091 0.000 2.493 99 F HA 0.493 5.020 4.527 -0.000 0.000 0.329 99 F C 0.585 176.322 175.800 -0.106 0.000 1.126 99 F CA -0.495 57.378 58.000 -0.212 0.000 0.937 99 F CB 1.916 40.599 39.000 -0.528 0.000 1.146 99 F HN 0.666 nan 8.300 nan 0.000 0.442 100 R N 2.244 122.817 120.500 0.121 0.000 2.248 100 R HA 0.490 4.830 4.340 0.000 0.000 0.328 100 R C 0.404 176.844 176.300 0.233 0.000 1.067 100 R CA -0.204 55.953 56.100 0.095 0.000 0.924 100 R CB 0.290 30.553 30.300 -0.061 0.000 1.013 100 R HN 0.886 nan 8.270 nan 0.000 0.454 101 G N 1.574 110.483 108.800 0.181 0.000 2.651 101 G HA2 0.128 4.088 3.960 0.000 0.000 0.260 101 G HA3 0.128 4.088 3.960 0.000 0.000 0.260 101 G C 1.149 176.164 174.900 0.192 0.000 1.216 101 G CA -0.201 45.032 45.100 0.222 0.000 0.913 101 G HN 0.597 nan 8.290 nan 0.000 0.535 102 V N -1.414 118.603 119.914 0.171 0.000 2.568 102 V HA -0.123 3.997 4.120 0.000 0.000 0.253 102 V C 1.700 177.847 176.094 0.088 0.000 1.072 102 V CA 2.265 64.629 62.300 0.107 0.000 1.084 102 V CB -0.667 31.202 31.823 0.077 0.000 0.676 102 V HN 0.662 nan 8.190 nan 0.000 0.469 103 D N -0.757 119.695 120.400 0.088 0.000 2.325 103 D HA 0.053 4.694 4.640 0.000 0.000 0.225 103 D C 1.032 177.378 176.300 0.077 0.000 1.096 103 D CA 0.251 54.295 54.000 0.072 0.000 0.844 103 D CB -0.852 39.985 40.800 0.062 0.000 0.925 103 D HN 0.528 nan 8.370 nan 0.000 0.513 104 N N 0.160 118.913 118.700 0.089 0.000 2.741 104 N HA -0.210 4.530 4.740 0.000 0.000 0.251 104 N C -1.080 174.468 175.510 0.064 0.000 1.112 104 N CA 0.721 53.820 53.050 0.082 0.000 0.750 104 N CB -1.054 37.497 38.487 0.106 0.000 1.119 104 N HN 0.402 nan 8.380 nan 0.000 0.561 105 K N 0.402 120.842 120.400 0.068 0.000 2.156 105 K HA 0.394 4.714 4.320 0.000 0.000 0.271 105 K C 0.214 176.853 176.600 0.065 0.000 0.995 105 K CA -0.603 55.720 56.287 0.061 0.000 0.890 105 K CB 1.153 33.689 32.500 0.061 0.000 1.073 105 K HN 0.171 nan 8.250 nan 0.000 0.454 106 I N 3.228 123.830 120.570 0.052 0.000 2.395 106 I HA 0.211 4.381 4.170 0.000 0.000 0.289 106 I C 0.272 176.436 176.117 0.079 0.000 1.023 106 I CA -0.184 61.150 61.300 0.056 0.000 1.350 106 I CB 0.805 38.822 38.000 0.029 0.000 1.409 106 I HN 0.369 nan 8.210 nan 0.000 0.507 107 R N 5.705 126.278 120.500 0.120 0.000 2.686 107 R HA 0.670 5.010 4.340 0.000 0.000 0.286 107 R C -1.207 175.225 176.300 0.220 0.000 0.969 107 R CA -0.833 55.359 56.100 0.153 0.000 0.898 107 R CB 2.112 32.507 30.300 0.158 0.000 1.183 107 R HN 0.506 nan 8.270 nan 0.000 0.456 108 L N 2.308 123.641 121.223 0.183 0.000 2.360 108 L HA 0.497 4.837 4.340 0.000 0.000 0.271 108 L C -0.657 176.389 176.870 0.293 0.000 1.057 108 L CA -0.622 54.345 54.840 0.212 0.000 0.803 108 L CB 0.915 43.037 42.059 0.105 0.000 1.207 108 L HN 0.495 nan 8.230 nan 0.000 0.445 109 F N 2.374 122.434 119.950 0.183 0.000 2.403 109 F HA 0.266 4.793 4.527 0.000 0.000 0.355 109 F C 0.296 176.131 175.800 0.058 0.000 1.119 109 F CA -0.463 57.621 58.000 0.139 0.000 1.007 109 F CB 0.678 39.791 39.000 0.187 0.000 1.194 109 F HN 0.519 nan 8.300 nan 0.000 0.443 110 Q N 5.183 124.692 119.800 -0.485 0.000 2.434 110 Q HA -0.188 4.152 4.340 0.000 0.000 0.299 110 Q C -1.819 174.074 176.000 -0.179 0.000 1.286 110 Q CA 0.725 56.256 55.803 -0.453 0.000 0.872 110 Q CB -1.048 27.220 28.738 -0.784 0.000 1.193 110 Q HN 0.570 nan 8.270 nan 0.000 0.466 111 P HA -0.124 nan 4.420 nan 0.000 0.225 111 P C 0.675 177.955 177.300 -0.033 0.000 1.156 111 P CA 0.990 64.076 63.100 -0.023 0.000 0.787 111 P CB 0.018 31.721 31.700 0.004 0.000 0.802 112 N N -0.187 118.481 118.700 -0.055 0.000 2.289 112 N HA -0.045 4.695 4.740 0.000 0.000 0.184 112 N C 1.851 177.326 175.510 -0.060 0.000 1.016 112 N CA 0.631 53.650 53.050 -0.052 0.000 0.872 112 N CB -0.522 37.928 38.487 -0.062 0.000 0.973 112 N HN 0.118 nan 8.380 nan 0.000 0.433 113 L N 0.613 121.786 121.223 -0.084 0.000 2.093 113 L HA -0.115 4.225 4.340 0.000 0.000 0.208 113 L C 1.721 178.567 176.870 -0.040 0.000 1.085 113 L CA 0.900 55.691 54.840 -0.080 0.000 0.755 113 L CB -0.405 41.580 42.059 -0.124 0.000 0.904 113 L HN 0.339 nan 8.230 nan 0.000 0.435 114 N N -0.244 118.443 118.700 -0.022 0.000 2.188 114 N HA -0.126 4.614 4.740 0.000 0.000 0.184 114 N C 1.866 177.400 175.510 0.041 0.000 1.018 114 N CA 1.177 54.231 53.050 0.007 0.000 0.858 114 N CB -0.029 38.464 38.487 0.009 0.000 0.989 114 N HN 0.285 nan 8.380 nan 0.000 0.426 115 M N 1.223 120.852 119.600 0.048 0.000 2.132 115 M HA -0.089 4.391 4.480 0.000 0.000 0.263 115 M C 1.260 177.616 176.300 0.094 0.000 1.065 115 M CA 1.260 56.629 55.300 0.114 0.000 1.122 115 M CB -1.110 31.543 32.600 0.088 0.000 1.365 115 M HN -0.027 nan 8.290 nan 0.000 0.411 116 D N -0.040 120.366 120.400 0.009 0.000 2.104 116 D HA -0.170 4.470 4.640 0.000 0.000 0.194 116 D C 2.141 178.460 176.300 0.031 0.000 0.994 116 D CA 1.263 55.247 54.000 -0.027 0.000 0.830 116 D CB -0.331 40.432 40.800 -0.061 0.000 0.959 116 D HN 0.315 nan 8.370 nan 0.000 0.452 117 R N -0.229 120.288 120.500 0.028 0.000 2.075 117 R HA -0.010 4.330 4.340 0.000 0.000 0.232 117 R C 2.308 178.646 176.300 0.064 0.000 1.126 117 R CA 0.857 56.972 56.100 0.024 0.000 0.963 117 R CB -0.189 30.107 30.300 -0.007 0.000 0.858 117 R HN 0.159 nan 8.270 nan 0.000 0.435 118 M N -0.597 119.076 119.600 0.122 0.000 2.132 118 M HA -0.216 4.264 4.480 0.000 0.000 0.263 118 M C 1.819 178.291 176.300 0.287 0.000 1.065 118 M CA 1.663 57.088 55.300 0.208 0.000 1.122 118 M CB -0.232 32.538 32.600 0.283 0.000 1.365 118 M HN 0.244 nan 8.290 nan 0.000 0.411 119 Y N 0.774 121.120 120.300 0.077 0.000 2.128 119 Y HA -0.288 4.262 4.550 -0.000 0.000 0.284 119 Y C 2.296 178.153 175.900 -0.072 0.000 1.154 119 Y CA 2.043 60.048 58.100 -0.159 0.000 1.149 119 Y CB -0.140 38.108 38.460 -0.355 0.000 0.976 119 Y HN 0.172 nan 8.280 nan 0.000 0.505 120 R N -0.647 119.964 120.500 0.184 0.000 2.096 120 R HA -0.140 4.200 4.340 0.000 0.000 0.235 120 R C 2.419 178.722 176.300 0.004 0.000 1.127 120 R CA 1.554 57.707 56.100 0.088 0.000 0.968 120 R CB -0.399 29.935 30.300 0.057 0.000 0.861 120 R HN 0.245 nan 8.270 nan 0.000 0.440 121 S N 0.644 116.351 115.700 0.011 0.000 2.383 121 S HA -0.115 4.355 4.470 0.000 0.000 0.227 121 S C 2.032 176.611 174.600 -0.035 0.000 1.026 121 S CA 1.112 59.301 58.200 -0.017 0.000 0.981 121 S CB -0.093 63.099 63.200 -0.013 0.000 0.818 121 S HN 0.468 nan 8.310 nan 0.000 0.472 122 A N 1.267 124.079 122.820 -0.014 0.000 1.902 122 A HA -0.041 4.279 4.320 0.000 0.000 0.217 122 A C 2.331 179.812 177.584 -0.171 0.000 1.181 122 A CA 1.476 53.465 52.037 -0.080 0.000 0.623 122 A CB -0.919 18.124 19.000 0.071 0.000 0.818 122 A HN 0.340 nan 8.150 nan 0.000 0.443 123 V N -0.122 119.681 119.914 -0.184 0.000 2.343 123 V HA -0.248 3.872 4.120 0.000 0.000 0.247 123 V C 2.662 178.692 176.094 -0.106 0.000 1.051 123 V CA 2.403 64.609 62.300 -0.157 0.000 1.036 123 V CB -0.788 30.962 31.823 -0.121 0.000 0.654 123 V HN 0.617 nan 8.190 nan 0.000 0.451 124 R N 0.526 120.975 120.500 -0.085 0.000 2.115 124 R HA -0.028 4.312 4.340 0.000 0.000 0.230 124 R C 2.043 178.296 176.300 -0.078 0.000 1.111 124 R CA 1.520 57.577 56.100 -0.072 0.000 0.976 124 R CB -0.557 29.703 30.300 -0.066 0.000 0.870 124 R HN 0.489 nan 8.270 nan 0.000 0.445 125 A N -0.726 122.036 122.820 -0.098 0.000 2.123 125 A HA 0.031 4.351 4.320 0.000 0.000 0.214 125 A C 0.935 178.444 177.584 -0.126 0.000 1.152 125 A CA 1.261 53.235 52.037 -0.105 0.000 0.728 125 A CB -0.384 18.538 19.000 -0.130 0.000 0.814 125 A HN 0.588 nan 8.150 nan 0.000 0.464 126 T N -3.686 110.781 114.554 -0.145 0.000 5.383 126 T HA -0.176 4.174 4.350 0.000 0.000 0.279 126 T C -0.032 174.525 174.700 -0.239 0.000 1.930 126 T CA 0.989 62.996 62.100 -0.154 0.000 3.248 126 T CB -2.822 65.987 68.868 -0.098 0.000 1.367 126 T HN 0.368 nan 8.240 nan 0.000 1.030 127 L N 1.756 122.773 121.223 -0.344 0.000 2.436 127 L HA 0.510 4.850 4.340 0.000 0.000 0.265 127 L C -1.398 175.172 176.870 -0.500 0.000 1.168 127 L CA -2.422 52.072 54.840 -0.577 0.000 0.815 127 L CB 0.428 41.877 42.059 -1.018 0.000 1.109 127 L HN 0.097 nan 8.230 nan 0.000 0.462 128 P HA 0.006 nan 4.420 nan 0.000 0.268 128 P C -0.346 177.024 177.300 0.117 0.000 1.205 128 P CA -0.097 62.665 63.100 -0.563 0.000 0.771 128 P CB 0.783 31.464 31.700 -1.698 0.000 0.858 129 V N 4.453 124.390 119.914 0.037 0.000 2.924 129 V HA 0.250 4.370 4.120 0.000 0.000 0.305 129 V C 0.420 176.736 176.094 0.369 0.000 1.073 129 V CA 0.619 62.900 62.300 -0.032 0.000 1.098 129 V CB -0.395 31.312 31.823 -0.194 0.000 1.000 129 V HN 0.599 nan 8.190 nan 0.000 0.484 130 F N 0.895 120.919 119.950 0.124 0.000 2.664 130 F HA 0.552 5.079 4.527 0.000 0.000 0.317 130 F C -0.604 175.164 175.800 -0.053 0.000 1.108 130 F CA -1.448 56.494 58.000 -0.096 0.000 0.957 130 F CB 1.243 40.025 39.000 -0.363 0.000 1.365 130 F HN 0.376 nan 8.300 nan 0.000 0.475 131 D N 1.639 121.966 120.400 -0.122 0.000 2.317 131 D HA 0.165 4.805 4.640 0.000 0.000 0.252 131 D C 0.445 176.743 176.300 -0.004 0.000 1.174 131 D CA 0.027 53.949 54.000 -0.130 0.000 0.866 131 D CB 1.510 42.189 40.800 -0.201 0.000 1.127 131 D HN 0.693 nan 8.370 nan 0.000 0.467 132 K N 2.472 122.853 120.400 -0.032 0.000 2.147 132 K HA -0.110 4.210 4.320 0.000 0.000 0.205 132 K C 1.428 178.053 176.600 0.042 0.000 1.049 132 K CA 0.795 57.131 56.287 0.082 0.000 0.936 132 K CB 0.406 32.867 32.500 -0.065 0.000 0.722 132 K HN 0.436 nan 8.250 nan 0.000 0.446 133 E N 0.812 120.990 120.200 -0.036 0.000 2.158 133 E HA -0.119 4.231 4.350 0.000 0.000 0.191 133 E C 1.866 178.439 176.600 -0.045 0.000 0.982 133 E CA 0.785 57.161 56.400 -0.040 0.000 0.823 133 E CB 0.109 29.776 29.700 -0.055 0.000 0.766 133 E HN 0.281 nan 8.360 nan 0.000 0.468 134 E N 0.886 121.028 120.200 -0.097 0.000 2.072 134 E HA -0.146 4.204 4.350 0.000 0.000 0.191 134 E C 2.226 178.800 176.600 -0.043 0.000 0.985 134 E CA 0.411 56.731 56.400 -0.133 0.000 0.801 134 E CB -0.348 29.153 29.700 -0.331 0.000 0.750 134 E HN 0.139 nan 8.360 nan 0.000 0.452 135 L N 1.168 122.374 121.223 -0.028 0.000 2.017 135 L HA -0.147 4.193 4.340 0.000 0.000 0.208 135 L C 2.333 179.228 176.870 0.040 0.000 1.073 135 L CA 1.282 56.181 54.840 0.099 0.000 0.745 135 L CB -0.828 41.242 42.059 0.019 0.000 0.894 135 L HN 0.107 nan 8.230 nan 0.000 0.432 136 L N -0.124 121.117 121.223 0.029 0.000 2.013 136 L HA -0.235 4.105 4.340 0.000 0.000 0.212 136 L C 2.500 179.373 176.870 0.004 0.000 1.073 136 L CA 2.232 57.079 54.840 0.011 0.000 0.753 136 L CB -0.958 41.106 42.059 0.008 0.000 0.890 136 L HN 0.493 nan 8.230 nan 0.000 0.432 137 E N -1.129 119.074 120.200 0.004 0.000 2.106 137 E HA -0.176 4.174 4.350 0.000 0.000 0.192 137 E C 2.230 178.834 176.600 0.007 0.000 0.984 137 E CA 1.642 58.044 56.400 0.003 0.000 0.806 137 E CB -0.550 29.148 29.700 -0.003 0.000 0.750 137 E HN 0.625 nan 8.360 nan 0.000 0.458 138 C N -0.043 119.271 119.300 0.023 0.000 2.429 138 C HA -0.017 4.443 4.460 0.000 0.000 0.277 138 C C 2.576 177.555 174.990 -0.018 0.000 1.262 138 C CA 0.502 59.526 59.018 0.011 0.000 1.733 138 C CB -0.965 26.795 27.740 0.033 0.000 2.010 138 C HN 0.464 nan 8.230 nan 0.000 0.483 139 I N 0.476 121.032 120.570 -0.023 0.000 2.179 139 I HA -0.252 3.918 4.170 0.000 0.000 0.242 139 I C 2.762 178.866 176.117 -0.021 0.000 1.088 139 I CA 1.404 62.683 61.300 -0.034 0.000 1.357 139 I CB -0.678 37.296 38.000 -0.042 0.000 1.051 139 I HN 0.432 nan 8.210 nan 0.000 0.409 140 Q N 0.482 120.275 119.800 -0.011 0.000 2.077 140 Q HA -0.271 4.069 4.340 0.000 0.000 0.206 140 Q C 2.258 178.256 176.000 -0.004 0.000 0.989 140 Q CA 1.509 57.310 55.803 -0.003 0.000 0.853 140 Q CB -0.399 28.340 28.738 0.002 0.000 0.907 140 Q HN 0.560 nan 8.270 nan 0.000 0.418 141 Q N 0.355 120.150 119.800 -0.009 0.000 2.124 141 Q HA -0.113 4.227 4.340 0.000 0.000 0.202 141 Q C 2.197 178.183 176.000 -0.023 0.000 0.977 141 Q CA 0.767 56.560 55.803 -0.016 0.000 0.850 141 Q CB -0.439 28.287 28.738 -0.021 0.000 0.901 141 Q HN 0.297 nan 8.270 nan 0.000 0.429 142 L N -0.081 121.127 121.223 -0.024 0.000 2.027 142 L HA -0.101 4.239 4.340 0.000 0.000 0.206 142 L C 2.143 179.013 176.870 0.001 0.000 1.074 142 L CA 1.323 56.150 54.840 -0.022 0.000 0.745 142 L CB -0.592 41.454 42.059 -0.022 0.000 0.898 142 L HN -0.070 nan 8.230 nan 0.000 0.433 143 V N 0.181 120.096 119.914 0.002 0.000 2.343 143 V HA -0.300 3.820 4.120 0.000 0.000 0.247 143 V C 2.681 178.800 176.094 0.040 0.000 1.051 143 V CA 2.111 64.423 62.300 0.019 0.000 1.036 143 V CB -0.809 31.016 31.823 0.003 0.000 0.654 143 V HN 0.550 nan 8.190 nan 0.000 0.451 144 K N -0.221 120.195 120.400 0.025 0.000 2.063 144 K HA -0.225 4.095 4.320 0.000 0.000 0.208 144 K C 2.148 178.773 176.600 0.042 0.000 1.048 144 K CA 1.712 58.018 56.287 0.031 0.000 0.928 144 K CB -0.210 32.300 32.500 0.016 0.000 0.713 144 K HN 0.351 nan 8.250 nan 0.000 0.442 145 L N 1.309 122.546 121.223 0.022 0.000 2.093 145 L HA -0.091 4.249 4.340 0.000 0.000 0.208 145 L C 0.715 177.658 176.870 0.122 0.000 1.085 145 L CA 1.896 56.743 54.840 0.013 0.000 0.755 145 L CB -0.097 41.894 42.059 -0.113 0.000 0.904 145 L HN 0.098 nan 8.230 nan 0.000 0.435 146 D N -1.136 119.366 120.400 0.170 0.000 2.427 146 D HA 0.004 4.644 4.640 0.000 0.000 0.224 146 D C 1.821 178.323 176.300 0.335 0.000 1.157 146 D CA 0.252 54.453 54.000 0.335 0.000 0.828 146 D CB 0.235 41.175 40.800 0.232 0.000 0.974 146 D HN 0.601 nan 8.370 nan 0.000 0.498 147 Q N 0.377 120.294 119.800 0.196 0.000 2.234 147 Q HA -0.169 4.171 4.340 0.000 0.000 0.206 147 Q C 0.889 176.970 176.000 0.135 0.000 0.980 147 Q CA 1.038 56.922 55.803 0.135 0.000 0.869 147 Q CB -0.048 28.739 28.738 0.081 0.000 0.912 147 Q HN 0.001 nan 8.270 nan 0.000 0.436 148 E N 0.225 120.523 120.200 0.162 0.000 2.401 148 E HA -0.144 4.206 4.350 0.000 0.000 0.199 148 E C 0.952 177.590 176.600 0.063 0.000 1.023 148 E CA 0.706 57.179 56.400 0.122 0.000 0.859 148 E CB -0.211 29.527 29.700 0.063 0.000 0.780 148 E HN 0.612 nan 8.360 nan 0.000 0.523 149 W N 0.608 121.948 121.300 0.066 0.000 2.770 149 W HA 0.006 4.666 4.660 0.000 0.000 0.256 149 W C 0.534 177.057 176.519 0.007 0.000 1.291 149 W CA 0.016 57.389 57.345 0.045 0.000 1.396 149 W CB 0.171 29.654 29.460 0.038 0.000 1.114 149 W HN -0.291 nan 8.180 nan 0.000 0.637 150 V N 3.700 123.710 119.914 0.160 0.000 2.425 150 V HA 0.011 4.131 4.120 0.000 0.000 0.276 150 V C -1.805 174.261 176.094 -0.046 0.000 1.017 150 V CA -1.506 60.812 62.300 0.030 0.000 1.062 150 V CB -0.483 31.320 31.823 -0.034 0.000 0.997 150 V HN -0.285 nan 8.190 nan 0.000 0.476 151 P HA 0.007 nan 4.420 nan 0.000 0.265 151 P C -0.611 176.680 177.300 -0.016 0.000 1.193 151 P CA 0.122 63.254 63.100 0.055 0.000 0.765 151 P CB 0.140 31.898 31.700 0.097 0.000 0.823 152 Y N 1.696 122.034 120.300 0.063 0.000 2.623 152 Y HA 0.348 4.898 4.550 0.000 0.000 0.341 152 Y C 1.049 176.985 175.900 0.061 0.000 1.292 152 Y CA 0.658 58.795 58.100 0.062 0.000 1.840 152 Y CB -0.204 38.274 38.460 0.029 0.000 1.865 152 Y HN 0.202 nan 8.280 nan 0.000 0.440 153 S N -0.320 115.474 115.700 0.155 0.000 2.548 153 S HA 0.209 4.679 4.470 0.000 0.000 0.278 153 S C 0.548 175.201 174.600 0.089 0.000 1.150 153 S CA -0.448 57.819 58.200 0.112 0.000 0.907 153 S CB 0.755 64.016 63.200 0.102 0.000 1.108 153 S HN 0.459 nan 8.310 nan 0.000 0.459 154 T N 0.552 115.078 114.554 -0.046 0.000 3.169 154 T HA 0.150 4.500 4.350 0.000 0.000 0.250 154 T C 1.233 175.676 174.700 -0.429 0.000 1.111 154 T CA 0.698 62.571 62.100 -0.379 0.000 1.010 154 T CB -0.330 68.337 68.868 -0.334 0.000 0.984 154 T HN 0.721 nan 8.240 nan 0.000 0.537 155 S N -0.446 115.231 115.700 -0.038 0.000 2.604 155 S HA 0.676 5.146 4.470 0.000 0.000 0.235 155 S C 0.700 175.401 174.600 0.168 0.000 1.043 155 S CA -0.199 58.064 58.200 0.105 0.000 0.997 155 S CB 0.252 63.528 63.200 0.126 0.000 0.956 155 S HN 0.657 nan 8.310 nan 0.000 0.535 156 A N 1.698 124.637 122.820 0.199 0.000 2.311 156 A HA 0.911 5.231 4.320 0.000 0.000 0.334 156 A C 0.078 177.814 177.584 0.254 0.000 1.139 156 A CA -0.250 51.897 52.037 0.183 0.000 0.830 156 A CB 1.530 20.593 19.000 0.105 0.000 1.234 156 A HN 0.911 nan 8.150 nan 0.000 0.483 157 S N -0.343 115.437 115.700 0.134 0.000 2.705 157 S HA 0.681 5.151 4.470 0.000 0.000 0.280 157 S C -1.433 173.142 174.600 -0.042 0.000 1.174 157 S CA -0.603 57.579 58.200 -0.029 0.000 0.823 157 S CB 0.955 63.969 63.200 -0.309 0.000 1.162 157 S HN 1.389 nan 8.310 nan 0.000 0.487 158 L N 2.202 123.346 121.223 -0.131 0.000 2.276 158 L HA 0.549 4.889 4.340 0.000 0.000 0.286 158 L C -1.108 175.738 176.870 -0.041 0.000 1.024 158 L CA -0.599 54.215 54.840 -0.043 0.000 0.826 158 L CB 0.568 42.612 42.059 -0.025 0.000 1.211 158 L HN 0.793 nan 8.230 nan 0.000 0.422 159 Y N 5.713 125.961 120.300 -0.087 0.000 2.377 159 Y HA 0.510 5.060 4.550 0.000 0.000 0.330 159 Y C -0.326 175.551 175.900 -0.039 0.000 1.108 159 Y CA -0.242 57.834 58.100 -0.040 0.000 1.308 159 Y CB 0.582 39.050 38.460 0.013 0.000 1.216 159 Y HN 0.525 nan 8.280 nan 0.000 0.518 160 I N 7.252 127.486 120.570 -0.560 0.000 2.362 160 I HA 0.349 4.519 4.170 0.000 0.000 0.289 160 I C -0.530 175.238 176.117 -0.582 0.000 0.994 160 I CA -0.929 60.128 61.300 -0.404 0.000 1.158 160 I CB 1.439 39.293 38.000 -0.242 0.000 1.315 160 I HN 0.418 nan 8.210 nan 0.000 0.451 161 R N 8.597 128.925 120.500 -0.287 0.000 2.505 161 R HA 0.475 4.815 4.340 0.000 0.000 0.284 161 R C -2.843 173.388 176.300 -0.116 0.000 1.324 161 R CA -2.456 53.559 56.100 -0.143 0.000 1.432 161 R CB 0.370 30.716 30.300 0.077 0.000 1.107 161 R HN 0.171 nan 8.270 nan 0.000 0.587 162 P HA 0.311 nan 4.420 nan 0.000 0.276 162 P C -1.329 175.849 177.300 -0.204 0.000 1.230 162 P CA -0.288 62.698 63.100 -0.190 0.000 0.776 162 P CB 1.686 33.295 31.700 -0.151 0.000 0.888 163 A N 3.315 125.864 122.820 -0.452 0.000 2.455 163 A HA 0.727 5.047 4.320 0.000 0.000 0.300 163 A C -1.822 175.509 177.584 -0.423 0.000 1.040 163 A CA -0.381 51.347 52.037 -0.515 0.000 0.697 163 A CB 1.055 19.451 19.000 -1.007 0.000 1.265 163 A HN 0.379 nan 8.150 nan 0.000 0.407 164 F N 3.315 123.129 119.950 -0.227 0.000 2.612 164 F HA 0.641 5.168 4.527 -0.000 0.000 0.332 164 F C -0.729 175.095 175.800 0.040 0.000 1.167 164 F CA -1.822 56.142 58.000 -0.060 0.000 0.970 164 F CB 1.494 40.489 39.000 -0.009 0.000 1.234 164 F HN 0.638 nan 8.300 nan 0.000 0.453 165 I N 2.014 122.822 120.570 0.397 0.000 2.689 165 I HA 0.859 5.029 4.170 0.000 0.000 0.299 165 I C 0.135 176.344 176.117 0.153 0.000 1.059 165 I CA -1.120 60.316 61.300 0.228 0.000 1.055 165 I CB 2.128 40.308 38.000 0.300 0.000 1.243 165 I HN 0.631 nan 8.210 nan 0.000 0.425 166 G N 2.180 111.024 108.800 0.073 0.000 2.380 166 G HA2 0.436 4.396 3.960 0.000 0.000 0.262 166 G HA3 0.436 4.396 3.960 0.000 0.000 0.262 166 G C 0.470 175.442 174.900 0.119 0.000 1.243 166 G CA 0.017 45.160 45.100 0.072 0.000 0.865 166 G HN 0.900 nan 8.290 nan 0.000 0.513 167 T N -0.845 113.786 114.554 0.129 0.000 3.200 167 T HA 0.190 4.540 4.350 0.000 0.000 0.284 167 T C 0.465 175.214 174.700 0.081 0.000 1.009 167 T CA -0.446 61.725 62.100 0.118 0.000 0.907 167 T CB 0.341 69.286 68.868 0.127 0.000 1.120 167 T HN 0.481 nan 8.240 nan 0.000 0.534 168 E N 3.571 123.816 120.200 0.075 0.000 2.729 168 E HA 0.047 4.397 4.350 0.000 0.000 0.246 168 E C -1.706 174.878 176.600 -0.027 0.000 0.984 168 E CA -1.528 54.891 56.400 0.030 0.000 0.951 168 E CB 0.774 30.509 29.700 0.058 0.000 0.914 168 E HN 0.170 nan 8.360 nan 0.000 0.509 169 P HA -0.029 nan 4.420 nan 0.000 0.227 169 P C -0.396 176.746 177.300 -0.263 0.000 1.161 169 P CA 0.510 63.383 63.100 -0.378 0.000 0.788 169 P CB 0.196 31.472 31.700 -0.706 0.000 0.822 170 S N -0.566 115.049 115.700 -0.141 0.000 2.617 170 S HA 0.258 4.728 4.470 0.000 0.000 0.269 170 S C 0.961 175.538 174.600 -0.038 0.000 1.292 170 S CA -0.582 57.570 58.200 -0.081 0.000 1.010 170 S CB 0.389 63.557 63.200 -0.052 0.000 0.944 170 S HN -0.066 nan 8.310 nan 0.000 0.536 171 L N 1.062 122.271 121.223 -0.024 0.000 2.567 171 L HA 0.253 4.593 4.340 0.000 0.000 0.225 171 L C 1.621 178.584 176.870 0.155 0.000 1.119 171 L CA -0.055 54.797 54.840 0.021 0.000 0.871 171 L CB -0.998 41.043 42.059 -0.031 0.000 1.036 171 L HN 0.929 nan 8.230 nan 0.000 0.459 172 G N 0.545 109.384 108.800 0.066 0.000 2.414 172 G HA2 0.236 4.196 3.960 0.000 0.000 0.236 172 G HA3 0.236 4.196 3.960 0.000 0.000 0.236 172 G C -0.047 174.834 174.900 -0.032 0.000 1.293 172 G CA -0.319 44.787 45.100 0.011 0.000 0.869 172 G HN -0.058 nan 8.290 nan 0.000 0.556 173 V N 3.622 123.406 119.914 -0.218 0.000 2.352 173 V HA 0.327 4.447 4.120 0.000 0.000 0.253 173 V C 0.531 176.514 176.094 -0.185 0.000 1.083 173 V CA 0.123 62.173 62.300 -0.417 0.000 0.993 173 V CB -0.868 30.597 31.823 -0.596 0.000 1.111 173 V HN 0.926 nan 8.190 nan 0.000 0.490 174 K N 2.871 123.216 120.400 -0.091 0.000 2.556 174 K HA 0.519 4.839 4.320 0.000 0.000 0.274 174 K C -0.703 175.891 176.600 -0.011 0.000 0.966 174 K CA -1.162 55.099 56.287 -0.043 0.000 0.865 174 K CB 1.940 34.426 32.500 -0.023 0.000 1.444 174 K HN 0.168 nan 8.250 nan 0.000 0.433 175 K N 2.514 122.907 120.400 -0.012 0.000 2.504 175 K HA 0.038 4.358 4.320 0.000 0.000 0.278 175 K C -1.887 174.732 176.600 0.033 0.000 1.025 175 K CA -0.847 55.438 56.287 -0.003 0.000 1.093 175 K CB 0.187 32.685 32.500 -0.004 0.000 0.873 175 K HN 0.414 nan 8.250 nan 0.000 0.483 176 P HA -0.022 nan 4.420 nan 0.000 0.268 176 P C 0.034 177.467 177.300 0.221 0.000 1.205 176 P CA -0.025 63.133 63.100 0.097 0.000 0.771 176 P CB 0.918 32.660 31.700 0.069 0.000 0.858 177 T N -1.030 113.634 114.554 0.183 0.000 3.105 177 T HA 0.202 4.552 4.350 0.000 0.000 0.253 177 T C 0.404 175.153 174.700 0.083 0.000 1.047 177 T CA -0.014 62.174 62.100 0.146 0.000 0.944 177 T CB 0.118 68.978 68.868 -0.012 0.000 1.016 177 T HN 0.390 nan 8.240 nan 0.000 0.544 178 K N 0.345 120.891 120.400 0.242 0.000 2.535 178 K HA 0.686 5.006 4.320 0.000 0.000 0.251 178 K C -1.941 174.847 176.600 0.313 0.000 0.942 178 K CA -0.668 55.744 56.287 0.208 0.000 0.798 178 K CB 2.153 34.696 32.500 0.072 0.000 1.267 178 K HN 0.211 nan 8.250 nan 0.000 0.434 179 A N 3.743 126.798 122.820 0.391 0.000 2.587 179 A HA 0.675 4.995 4.320 0.000 0.000 0.293 179 A C -1.983 175.808 177.584 0.346 0.000 1.087 179 A CA -0.802 51.429 52.037 0.323 0.000 0.692 179 A CB 1.644 20.791 19.000 0.245 0.000 1.291 179 A HN 0.607 nan 8.150 nan 0.000 0.407 180 L N 1.951 123.409 121.223 0.392 0.000 2.376 180 L HA 0.584 4.924 4.340 0.000 0.000 0.275 180 L C -1.553 175.599 176.870 0.469 0.000 0.987 180 L CA -0.660 54.411 54.840 0.384 0.000 0.828 180 L CB 1.386 43.632 42.059 0.311 0.000 1.249 180 L HN 0.811 nan 8.230 nan 0.000 0.409 181 L N 5.880 127.249 121.223 0.243 0.000 2.282 181 L HA 0.573 4.913 4.340 0.000 0.000 0.288 181 L C -1.054 175.811 176.870 -0.009 0.000 1.033 181 L CA -0.488 54.273 54.840 -0.131 0.000 0.807 181 L CB 1.127 42.771 42.059 -0.692 0.000 1.209 181 L HN 0.568 nan 8.230 nan 0.000 0.423 182 F N 3.485 123.362 119.950 -0.121 0.000 2.613 182 F HA 0.831 5.358 4.527 -0.000 0.000 0.314 182 F C -1.561 174.174 175.800 -0.108 0.000 1.075 182 F CA -1.087 56.845 58.000 -0.113 0.000 0.945 182 F CB 1.446 40.406 39.000 -0.066 0.000 1.310 182 F HN 0.007 nan 8.300 nan 0.000 0.467 183 V N 3.430 123.373 119.914 0.047 0.000 2.577 183 V HA 0.498 4.618 4.120 0.000 0.000 0.303 183 V C -0.976 175.154 176.094 0.060 0.000 1.042 183 V CA -0.516 61.762 62.300 -0.037 0.000 0.872 183 V CB 1.415 33.185 31.823 -0.089 0.000 0.998 183 V HN 0.679 nan 8.190 nan 0.000 0.423 184 L N 5.382 126.642 121.223 0.061 0.000 2.334 184 L HA 0.680 5.020 4.340 0.000 0.000 0.272 184 L C -0.290 176.618 176.870 0.064 0.000 1.020 184 L CA -0.387 54.511 54.840 0.097 0.000 0.812 184 L CB 1.671 43.835 42.059 0.176 0.000 1.264 184 L HN 0.468 nan 8.230 nan 0.000 0.439 185 L N 1.128 122.390 121.223 0.065 0.000 2.362 185 L HA 0.746 5.086 4.340 0.000 0.000 0.271 185 L C -0.286 176.568 176.870 -0.025 0.000 1.002 185 L CA -0.418 54.416 54.840 -0.010 0.000 0.818 185 L CB 2.031 44.041 42.059 -0.081 0.000 1.298 185 L HN 0.578 nan 8.230 nan 0.000 0.420 186 S N 2.807 118.471 115.700 -0.061 0.000 2.649 186 S HA 0.538 5.008 4.470 0.000 0.000 0.274 186 S C -2.816 171.725 174.600 -0.098 0.000 1.176 186 S CA -1.061 57.015 58.200 -0.207 0.000 0.988 186 S CB 1.890 64.829 63.200 -0.435 0.000 1.071 186 S HN 0.204 nan 8.310 nan 0.000 0.478 187 P HA 0.225 nan 4.420 nan 0.000 0.268 187 P C -1.007 176.279 177.300 -0.023 0.000 1.204 187 P CA -0.221 62.898 63.100 0.032 0.000 0.768 187 P CB 0.871 32.648 31.700 0.127 0.000 0.842 188 V N 3.298 123.234 119.914 0.036 0.000 2.789 188 V HA 0.838 4.958 4.120 0.000 0.000 0.311 188 V C 0.078 176.213 176.094 0.069 0.000 1.073 188 V CA -0.431 61.910 62.300 0.068 0.000 0.921 188 V CB 2.020 33.974 31.823 0.218 0.000 1.009 188 V HN 0.679 nan 8.190 nan 0.000 0.426 189 G N 4.966 113.771 108.800 0.009 0.000 2.642 189 G HA2 0.717 4.677 3.960 0.000 0.000 0.291 189 G HA3 0.717 4.677 3.960 0.000 0.000 0.291 189 G C -2.780 172.062 174.900 -0.095 0.000 1.345 189 G CA -1.398 43.676 45.100 -0.044 0.000 1.043 189 G HN 0.671 nan 8.290 nan 0.000 0.528 190 P HA 0.152 nan 4.420 nan 0.000 0.272 190 P C -0.760 176.283 177.300 -0.428 0.000 1.223 190 P CA -0.088 62.709 63.100 -0.504 0.000 0.784 190 P CB 0.984 32.091 31.700 -0.988 0.000 0.923 191 Y N 0.092 120.144 120.300 -0.413 0.000 2.497 191 Y HA 0.138 4.688 4.550 0.000 0.000 0.265 191 Y C 1.244 177.117 175.900 -0.046 0.000 1.111 191 Y CA 0.156 58.171 58.100 -0.141 0.000 1.288 191 Y CB -0.418 38.041 38.460 -0.001 0.000 1.082 191 Y HN 0.221 nan 8.280 nan 0.000 0.536 192 F N 0.055 120.113 119.950 0.180 0.000 2.370 192 F HA 0.651 5.178 4.527 -0.000 0.000 0.324 192 F C 0.271 176.085 175.800 0.023 0.000 1.116 192 F CA -1.486 56.556 58.000 0.070 0.000 1.123 192 F CB 0.646 39.583 39.000 -0.105 0.000 1.238 192 F HN -0.181 nan 8.300 nan 0.000 0.536 193 S N -1.075 114.783 115.700 0.262 0.000 2.565 193 S HA 0.500 4.970 4.470 0.000 0.000 0.269 193 S C -0.389 174.285 174.600 0.123 0.000 1.153 193 S CA -0.492 57.797 58.200 0.149 0.000 0.835 193 S CB 1.030 64.267 63.200 0.062 0.000 1.122 193 S HN 1.231 nan 8.310 nan 0.000 0.462 194 S N 0.378 116.128 115.700 0.084 0.000 3.473 194 S HA -0.097 4.373 4.470 0.000 0.000 0.339 194 S C 1.441 176.065 174.600 0.040 0.000 1.148 194 S CA 1.637 59.869 58.200 0.053 0.000 0.969 194 S CB -1.777 61.450 63.200 0.045 0.000 0.936 194 S HN 2.553 nan 8.310 nan 0.000 0.530 195 G N -0.647 108.179 108.800 0.043 0.000 2.258 195 G HA2 -0.264 3.696 3.960 0.000 0.000 0.233 195 G HA3 -0.264 3.696 3.960 0.000 0.000 0.233 195 G C 0.159 175.005 174.900 -0.090 0.000 1.006 195 G CA 0.613 45.695 45.100 -0.030 0.000 0.620 195 G HN 1.760 nan 8.290 nan 0.000 0.511 196 T N -1.550 112.995 114.554 -0.015 0.000 2.930 196 T HA 0.713 5.063 4.350 0.000 0.000 0.290 196 T C 0.270 175.017 174.700 0.078 0.000 1.052 196 T CA -0.842 61.244 62.100 -0.023 0.000 1.017 196 T CB 1.987 70.886 68.868 0.052 0.000 1.137 196 T HN 0.386 nan 8.240 nan 0.000 0.511 197 F N 1.362 121.372 119.950 0.100 0.000 2.626 197 F HA 0.135 4.662 4.527 -0.000 0.000 0.354 197 F C 1.250 177.134 175.800 0.141 0.000 1.168 197 F CA 0.131 58.225 58.000 0.156 0.000 1.368 197 F CB 0.322 39.380 39.000 0.096 0.000 1.092 197 F HN 0.624 nan 8.300 nan 0.000 0.612 198 N N 3.530 122.475 118.700 0.409 0.000 2.707 198 N HA 0.244 4.984 4.740 0.000 0.000 0.235 198 N C -2.540 173.089 175.510 0.197 0.000 1.028 198 N CA -1.409 51.789 53.050 0.248 0.000 0.906 198 N CB 0.621 39.229 38.487 0.201 0.000 1.131 198 N HN 0.208 nan 8.380 nan 0.000 0.509 199 P HA -0.002 nan 4.420 nan 0.000 0.269 199 P C -0.408 176.936 177.300 0.073 0.000 1.215 199 P CA -0.252 62.896 63.100 0.080 0.000 0.780 199 P CB 0.858 32.599 31.700 0.070 0.000 0.898 200 V N -1.157 118.786 119.914 0.048 0.000 2.667 200 V HA 0.572 4.692 4.120 0.000 0.000 0.308 200 V C -0.018 176.099 176.094 0.039 0.000 1.048 200 V CA -0.732 61.597 62.300 0.048 0.000 0.928 200 V CB 1.585 33.435 31.823 0.044 0.000 1.004 200 V HN 0.466 nan 8.190 nan 0.000 0.444 201 S N 4.519 120.249 115.700 0.049 0.000 2.525 201 S HA 0.715 5.185 4.470 0.000 0.000 0.278 201 S C -0.320 174.317 174.600 0.060 0.000 1.234 201 S CA -0.532 57.702 58.200 0.057 0.000 1.058 201 S CB 0.822 64.068 63.200 0.076 0.000 0.983 201 S HN 0.666 nan 8.310 nan 0.000 0.495 202 L N 2.679 123.936 121.223 0.056 0.000 2.317 202 L HA 0.480 4.820 4.340 0.000 0.000 0.281 202 L C -0.414 176.533 176.870 0.130 0.000 1.024 202 L CA -0.613 54.258 54.840 0.051 0.000 0.810 202 L CB 1.130 43.178 42.059 -0.018 0.000 1.240 202 L HN 0.658 nan 8.230 nan 0.000 0.427 203 W N 3.814 125.063 121.300 -0.086 0.000 2.308 203 W HA 0.612 5.272 4.660 -0.000 0.000 0.311 203 W C -1.018 175.457 176.519 -0.074 0.000 1.088 203 W CA -0.825 56.485 57.345 -0.059 0.000 1.309 203 W CB 1.548 30.968 29.460 -0.067 0.000 1.229 203 W HN 0.527 nan 8.180 nan 0.000 0.427 204 A N 5.969 128.535 122.820 -0.424 0.000 2.322 204 A HA 0.249 4.569 4.320 0.000 0.000 0.327 204 A C -0.906 176.429 177.584 -0.414 0.000 1.394 204 A CA -0.554 51.285 52.037 -0.329 0.000 0.921 204 A CB 0.310 19.184 19.000 -0.211 0.000 1.153 204 A HN 0.570 nan 8.150 nan 0.000 0.523 205 N N 3.892 122.382 118.700 -0.350 0.000 2.524 205 N HA 0.380 5.120 4.740 0.000 0.000 0.261 205 N C -2.101 173.393 175.510 -0.026 0.000 0.998 205 N CA -2.137 50.778 53.050 -0.224 0.000 0.915 205 N CB 2.169 40.600 38.487 -0.094 0.000 1.187 205 N HN 0.252 nan 8.380 nan 0.000 0.507 206 P HA -0.043 nan 4.420 nan 0.000 0.234 206 P C 0.562 177.873 177.300 0.017 0.000 1.167 206 P CA 0.665 63.789 63.100 0.039 0.000 0.763 206 P CB 0.531 32.226 31.700 -0.008 0.000 0.835 207 K N -0.942 119.385 120.400 -0.122 0.000 2.283 207 K HA -0.066 4.254 4.320 0.000 0.000 0.202 207 K C 0.254 176.700 176.600 -0.257 0.000 1.048 207 K CA 0.867 57.000 56.287 -0.257 0.000 0.948 207 K CB -0.185 32.050 32.500 -0.441 0.000 0.742 207 K HN 0.282 nan 8.250 nan 0.000 0.458 208 Y N -0.572 119.853 120.300 0.209 0.000 2.420 208 Y HA 0.369 4.919 4.550 -0.000 0.000 0.334 208 Y C -0.079 176.061 175.900 0.400 0.000 1.094 208 Y CA -1.163 57.129 58.100 0.320 0.000 1.126 208 Y CB 1.511 40.240 38.460 0.448 0.000 1.217 208 Y HN -0.371 nan 8.280 nan 0.000 0.462 209 V N 4.365 124.601 119.914 0.538 0.000 2.540 209 V HA 0.414 4.534 4.120 0.000 0.000 0.302 209 V C 0.561 176.827 176.094 0.287 0.000 1.035 209 V CA -0.686 61.894 62.300 0.466 0.000 0.873 209 V CB 1.731 33.799 31.823 0.408 0.000 0.992 209 V HN 0.973 nan 8.190 nan 0.000 0.428 210 R N 4.074 124.567 120.500 -0.012 0.000 2.075 210 R HA 0.404 4.744 4.340 0.000 0.000 0.226 210 R C 0.428 176.540 176.300 -0.312 0.000 1.114 210 R CA 1.290 57.005 56.100 -0.643 0.000 0.972 210 R CB 0.313 29.866 30.300 -1.244 0.000 0.869 210 R HN 0.873 nan 8.270 nan 0.000 0.437 211 A N -0.621 122.127 122.820 -0.119 0.000 2.605 211 A HA 0.481 4.801 4.320 0.000 0.000 0.294 211 A C -2.099 175.465 177.584 -0.032 0.000 1.062 211 A CA -0.835 51.011 52.037 -0.319 0.000 0.682 211 A CB 0.509 19.222 19.000 -0.480 0.000 1.278 211 A HN 0.380 nan 8.150 nan 0.000 0.410 212 W N 0.765 122.004 121.300 -0.101 0.000 2.962 212 W HA 0.739 5.399 4.660 -0.000 0.000 0.341 212 W C -0.510 175.964 176.519 -0.076 0.000 1.155 212 W CA -1.059 56.280 57.345 -0.009 0.000 1.165 212 W CB 0.960 30.517 29.460 0.163 0.000 1.435 212 W HN 0.499 nan 8.180 nan 0.000 0.546 213 K N 1.821 122.322 120.400 0.169 0.000 2.472 213 K HA 0.307 4.627 4.320 0.000 0.000 0.280 213 K C 0.918 177.622 176.600 0.174 0.000 1.028 213 K CA 1.330 57.674 56.287 0.096 0.000 1.045 213 K CB 0.274 32.864 32.500 0.150 0.000 0.902 213 K HN 1.143 nan 8.250 nan 0.000 0.478 214 G N 2.118 110.949 108.800 0.051 0.000 2.213 214 G HA2 -0.231 3.729 3.960 0.000 0.000 0.236 214 G HA3 -0.231 3.729 3.960 0.000 0.000 0.236 214 G C 0.583 175.481 174.900 -0.004 0.000 0.991 214 G CA 0.003 45.151 45.100 0.080 0.000 0.629 214 G HN 0.843 nan 8.290 nan 0.000 0.517 215 G N -0.738 107.888 108.800 -0.291 0.000 2.630 215 G HA2 0.579 4.539 3.960 0.000 0.000 0.223 215 G HA3 0.579 4.539 3.960 0.000 0.000 0.223 215 G C 0.932 175.561 174.900 -0.452 0.000 1.434 215 G CA 1.231 45.938 45.100 -0.656 0.000 1.057 215 G HN 1.241 nan 8.290 nan 0.000 0.570 216 T N -3.732 110.503 114.554 -0.531 0.000 3.252 216 T HA 0.327 4.677 4.350 0.000 0.000 0.286 216 T C 1.716 176.207 174.700 -0.348 0.000 1.013 216 T CA 0.755 62.653 62.100 -0.337 0.000 0.914 216 T CB 0.722 69.448 68.868 -0.236 0.000 1.131 216 T HN 0.637 nan 8.240 nan 0.000 0.529 217 G N 2.621 111.160 108.800 -0.436 0.000 2.498 217 G HA2 -0.138 3.822 3.960 0.000 0.000 0.219 217 G HA3 -0.138 3.822 3.960 0.000 0.000 0.219 217 G C 1.153 175.894 174.900 -0.265 0.000 1.119 217 G CA 0.870 45.735 45.100 -0.392 0.000 0.766 217 G HN 0.700 nan 8.290 nan 0.000 0.552 218 D N -0.688 119.581 120.400 -0.218 0.000 2.319 218 D HA 0.101 4.741 4.640 0.000 0.000 0.230 218 D C 0.434 176.661 176.300 -0.121 0.000 1.094 218 D CA -0.362 53.547 54.000 -0.151 0.000 0.856 218 D CB -0.614 40.108 40.800 -0.131 0.000 0.915 218 D HN 0.125 nan 8.370 nan 0.000 0.517 219 C N -0.150 119.070 119.300 -0.133 0.000 2.779 219 C HA 0.442 4.902 4.460 0.000 0.000 0.314 219 C C 0.563 175.499 174.990 -0.090 0.000 1.231 219 C CA -0.954 58.002 59.018 -0.104 0.000 1.652 219 C CB 2.091 29.772 27.740 -0.098 0.000 2.198 219 C HN 0.047 nan 8.230 nan 0.000 0.483 220 K N 1.385 121.712 120.400 -0.122 0.000 3.141 220 K HA 0.316 4.636 4.320 0.000 0.000 0.248 220 K C -0.277 176.227 176.600 -0.161 0.000 1.282 220 K CA 0.165 56.316 56.287 -0.227 0.000 1.251 220 K CB -0.053 32.099 32.500 -0.579 0.000 1.533 220 K HN 0.589 nan 8.250 nan 0.000 0.409 221 M N -0.493 119.126 119.600 0.031 0.000 2.216 221 M HA 0.104 4.584 4.480 0.000 0.000 0.356 221 M C 1.628 178.112 176.300 0.307 0.000 1.205 221 M CA -0.118 55.243 55.300 0.101 0.000 1.122 221 M CB 1.377 33.992 32.600 0.024 0.000 1.571 221 M HN 0.415 nan 8.290 nan 0.000 0.464 222 G N 1.850 110.856 108.800 0.344 0.000 2.469 222 G HA2 -0.211 3.749 3.960 0.000 0.000 0.220 222 G HA3 -0.211 3.749 3.960 0.000 0.000 0.220 222 G C 1.317 176.441 174.900 0.372 0.000 1.136 222 G CA 1.069 46.435 45.100 0.444 0.000 0.759 222 G HN 0.989 nan 8.290 nan 0.000 0.562 223 G N 0.680 109.604 108.800 0.207 0.000 2.485 223 G HA2 -0.250 3.710 3.960 0.000 0.000 0.221 223 G HA3 -0.250 3.710 3.960 0.000 0.000 0.221 223 G C 1.587 176.510 174.900 0.038 0.000 1.115 223 G CA 1.045 46.219 45.100 0.123 0.000 0.751 223 G HN 0.604 nan 8.290 nan 0.000 0.567 224 N N -1.044 117.607 118.700 -0.083 0.000 2.453 224 N HA -0.041 4.699 4.740 0.000 0.000 0.183 224 N C 1.391 176.584 175.510 -0.529 0.000 1.041 224 N CA 0.817 53.609 53.050 -0.430 0.000 0.900 224 N CB -0.099 37.930 38.487 -0.763 0.000 0.961 224 N HN 0.525 nan 8.380 nan 0.000 0.443 225 Y N -0.883 119.457 120.300 0.066 0.000 2.558 225 Y HA 0.292 4.842 4.550 -0.000 0.000 0.273 225 Y C 2.482 178.441 175.900 0.100 0.000 1.100 225 Y CA -0.026 58.129 58.100 0.093 0.000 1.276 225 Y CB -0.381 38.168 38.460 0.149 0.000 1.196 225 Y HN -0.043 nan 8.280 nan 0.000 0.527 226 G N 0.087 109.023 108.800 0.225 0.000 2.432 226 G HA2 -0.263 3.697 3.960 0.000 0.000 0.219 226 G HA3 -0.263 3.697 3.960 0.000 0.000 0.219 226 G C 1.684 176.676 174.900 0.153 0.000 1.135 226 G CA 1.376 46.578 45.100 0.171 0.000 0.767 226 G HN 0.445 nan 8.290 nan 0.000 0.550 227 S N 0.665 116.443 115.700 0.130 0.000 2.522 227 S HA -0.036 4.434 4.470 0.000 0.000 0.227 227 S C 2.194 176.898 174.600 0.173 0.000 0.986 227 S CA 1.303 59.585 58.200 0.138 0.000 0.929 227 S CB -0.113 63.163 63.200 0.127 0.000 0.769 227 S HN 0.525 nan 8.310 nan 0.000 0.529 228 S N 1.082 116.890 115.700 0.180 0.000 2.548 228 S HA 0.282 4.752 4.470 0.000 0.000 0.215 228 S C 1.613 176.402 174.600 0.315 0.000 0.976 228 S CA -0.279 58.116 58.200 0.326 0.000 0.908 228 S CB -0.629 62.754 63.200 0.305 0.000 0.781 228 S HN 0.482 nan 8.310 nan 0.000 0.519 229 L N -0.203 121.155 121.223 0.227 0.000 2.093 229 L HA 0.031 4.371 4.340 0.000 0.000 0.208 229 L C 2.356 179.296 176.870 0.117 0.000 1.085 229 L CA 1.524 56.462 54.840 0.164 0.000 0.755 229 L CB -0.605 41.540 42.059 0.145 0.000 0.904 229 L HN 0.336 nan 8.230 nan 0.000 0.435 230 F N 0.916 120.869 119.950 0.004 0.000 2.102 230 F HA -0.240 4.287 4.527 0.000 0.000 0.298 230 F C 2.523 178.213 175.800 -0.184 0.000 1.105 230 F CA 1.477 59.442 58.000 -0.059 0.000 1.239 230 F CB -0.193 38.790 39.000 -0.029 0.000 0.991 230 F HN -0.005 nan 8.300 nan 0.000 0.474 231 A N -0.431 122.314 122.820 -0.126 0.000 1.940 231 A HA -0.279 4.041 4.320 0.000 0.000 0.219 231 A C 2.038 179.519 177.584 -0.172 0.000 1.176 231 A CA 1.847 53.667 52.037 -0.363 0.000 0.631 231 A CB -0.955 17.785 19.000 -0.433 0.000 0.814 231 A HN 0.536 nan 8.150 nan 0.000 0.446 232 Q N -0.412 119.342 119.800 -0.078 0.000 2.119 232 Q HA -0.136 4.204 4.340 0.000 0.000 0.201 232 Q C 1.922 177.834 176.000 -0.147 0.000 0.972 232 Q CA 2.278 58.040 55.803 -0.068 0.000 0.847 232 Q CB -0.942 27.817 28.738 0.034 0.000 0.903 232 Q HN 0.624 nan 8.270 nan 0.000 0.433 233 C N 0.401 119.581 119.300 -0.199 0.000 2.446 233 C HA -0.068 4.392 4.460 0.000 0.000 0.277 233 C C 2.487 177.270 174.990 -0.345 0.000 1.275 233 C CA 0.999 59.863 59.018 -0.257 0.000 1.727 233 C CB -0.877 26.682 27.740 -0.302 0.000 2.010 233 C HN 0.716 nan 8.230 nan 0.000 0.486 234 E N 1.106 121.049 120.200 -0.429 0.000 2.077 234 E HA -0.271 4.079 4.350 0.000 0.000 0.193 234 E C 1.618 177.747 176.600 -0.785 0.000 0.989 234 E CA 1.771 57.874 56.400 -0.495 0.000 0.800 234 E CB -0.220 29.305 29.700 -0.292 0.000 0.746 234 E HN 0.701 nan 8.360 nan 0.000 0.452 235 D N -0.398 119.602 120.400 -0.666 0.000 2.106 235 D HA -0.191 4.449 4.640 0.000 0.000 0.191 235 D C 1.935 177.995 176.300 -0.400 0.000 0.997 235 D CA 2.082 55.734 54.000 -0.580 0.000 0.834 235 D CB -0.107 40.590 40.800 -0.172 0.000 0.956 235 D HN 0.108 nan 8.370 nan 0.000 0.448 236 V N 0.610 120.358 119.914 -0.277 0.000 2.407 236 V HA -0.188 3.932 4.120 0.000 0.000 0.248 236 V C 1.794 177.758 176.094 -0.218 0.000 1.055 236 V CA 2.017 64.202 62.300 -0.191 0.000 1.049 236 V CB -0.637 31.105 31.823 -0.134 0.000 0.662 236 V HN 0.257 nan 8.190 nan 0.000 0.455 237 D N 0.340 120.568 120.400 -0.287 0.000 2.263 237 D HA -0.117 4.523 4.640 0.000 0.000 0.208 237 D C 1.479 177.611 176.300 -0.280 0.000 0.971 237 D CA 1.131 54.974 54.000 -0.260 0.000 0.867 237 D CB -0.372 40.262 40.800 -0.277 0.000 0.929 237 D HN 0.531 nan 8.370 nan 0.000 0.492 238 N N -0.990 117.468 118.700 -0.404 0.000 2.214 238 N HA 0.274 5.014 4.740 0.000 0.000 0.214 238 N C 0.752 176.169 175.510 -0.155 0.000 1.132 238 N CA 0.332 53.171 53.050 -0.351 0.000 0.856 238 N CB 1.229 39.265 38.487 -0.751 0.000 1.020 238 N HN 0.052 nan 8.380 nan 0.000 0.509 239 G N 0.001 108.723 108.800 -0.129 0.000 2.147 239 G HA2 -0.278 3.682 3.960 0.000 0.000 0.244 239 G HA3 -0.278 3.682 3.960 0.000 0.000 0.244 239 G C -0.046 174.846 174.900 -0.014 0.000 1.005 239 G CA -0.050 45.019 45.100 -0.051 0.000 0.713 239 G HN 0.390 nan 8.290 nan 0.000 0.515 240 C N -0.780 118.501 119.300 -0.032 0.000 2.397 240 C HA 0.673 5.133 4.460 0.000 0.000 0.343 240 C C 1.482 176.471 174.990 -0.002 0.000 1.188 240 C CA -0.459 58.574 59.018 0.024 0.000 1.992 240 C CB 1.822 29.625 27.740 0.104 0.000 2.358 240 C HN 0.566 nan 8.230 nan 0.000 0.518 241 Q N -0.028 119.785 119.800 0.022 0.000 2.297 241 Q HA 0.157 4.497 4.340 0.000 0.000 0.203 241 Q C 0.502 176.513 176.000 0.017 0.000 0.931 241 Q CA 1.155 56.970 55.803 0.019 0.000 0.885 241 Q CB 0.183 28.945 28.738 0.039 0.000 0.991 241 Q HN 0.628 nan 8.270 nan 0.000 0.498 242 Q N -0.928 118.882 119.800 0.018 0.000 2.553 242 Q HA 0.460 4.800 4.340 0.000 0.000 0.293 242 Q C -1.115 174.863 176.000 -0.037 0.000 1.038 242 Q CA -0.784 55.021 55.803 0.003 0.000 0.777 242 Q CB 2.350 31.098 28.738 0.017 0.000 1.487 242 Q HN -0.080 nan 8.270 nan 0.000 0.426 243 V N 1.842 121.664 119.914 -0.153 0.000 2.439 243 V HA 0.243 4.363 4.120 0.000 0.000 0.282 243 V C -0.188 175.618 176.094 -0.479 0.000 1.039 243 V CA -0.666 61.400 62.300 -0.390 0.000 0.913 243 V CB 1.228 32.519 31.823 -0.886 0.000 0.983 243 V HN 0.550 nan 8.190 nan 0.000 0.460 244 L N 6.050 127.071 121.223 -0.337 0.000 2.278 244 L HA 0.437 4.777 4.340 0.000 0.000 0.287 244 L C -0.794 175.925 176.870 -0.252 0.000 1.072 244 L CA -0.063 54.632 54.840 -0.242 0.000 0.819 244 L CB 0.379 42.346 42.059 -0.153 0.000 1.176 244 L HN 0.625 nan 8.230 nan 0.000 0.435 245 W N 6.794 128.123 121.300 0.048 0.000 2.358 245 W HA 0.482 5.142 4.660 0.000 0.000 0.307 245 W C -0.551 176.018 176.519 0.083 0.000 1.203 245 W CA -0.501 56.895 57.345 0.084 0.000 1.279 245 W CB 0.585 30.091 29.460 0.078 0.000 1.264 245 W HN 0.331 nan 8.180 nan 0.000 0.474 246 L N 4.038 125.470 121.223 0.348 0.000 2.322 246 L HA 0.518 4.858 4.340 0.000 0.000 0.279 246 L C -0.833 176.257 176.870 0.366 0.000 1.036 246 L CA -1.331 53.669 54.840 0.267 0.000 0.807 246 L CB 1.026 43.189 42.059 0.174 0.000 1.226 246 L HN 0.330 nan 8.230 nan 0.000 0.433 247 Y N 1.412 121.804 120.300 0.154 0.000 2.421 247 Y HA 0.649 5.199 4.550 -0.000 0.000 0.339 247 Y C 0.294 176.225 175.900 0.053 0.000 0.996 247 Y CA 0.117 58.288 58.100 0.119 0.000 1.046 247 Y CB 1.960 40.478 38.460 0.098 0.000 1.226 247 Y HN 0.776 nan 8.280 nan 0.000 0.445 248 G N 4.587 113.028 108.800 -0.599 0.000 2.796 248 G HA2 -0.200 3.760 3.960 0.000 0.000 0.571 248 G HA3 -0.200 3.760 3.960 0.000 0.000 0.571 248 G C 0.202 174.901 174.900 -0.336 0.000 1.370 248 G CA -0.229 44.564 45.100 -0.511 0.000 0.856 248 G HN 0.815 nan 8.290 nan 0.000 0.538 249 R N -0.227 120.077 120.500 -0.326 0.000 2.148 249 R HA 0.004 4.344 4.340 0.000 0.000 0.223 249 R C 1.419 177.391 176.300 -0.547 0.000 1.088 249 R CA 1.370 57.247 56.100 -0.373 0.000 0.985 249 R CB -0.083 30.078 30.300 -0.232 0.000 0.880 249 R HN 0.516 nan 8.270 nan 0.000 0.451 250 D N 0.257 120.439 120.400 -0.363 0.000 2.347 250 D HA -0.037 4.603 4.640 0.000 0.000 0.215 250 D C -0.344 175.848 176.300 -0.180 0.000 0.976 250 D CA 0.552 54.403 54.000 -0.249 0.000 0.884 250 D CB -0.134 40.586 40.800 -0.134 0.000 0.915 250 D HN 0.346 nan 8.370 nan 0.000 0.526 251 H N -0.075 118.987 119.070 -0.013 0.000 2.750 251 H HA -0.158 4.398 4.556 0.000 0.000 0.327 251 H C -0.238 175.090 175.328 -0.000 0.000 1.199 251 H CA -0.044 56.008 56.048 0.006 0.000 1.149 251 H CB -2.118 27.662 29.762 0.029 0.000 1.543 251 H HN 0.231 nan 8.280 nan 0.000 0.427 252 Q N 1.276 121.140 119.800 0.107 0.000 2.300 252 Q HA 0.174 4.514 4.340 0.000 0.000 0.280 252 Q C 1.042 177.105 176.000 0.105 0.000 1.033 252 Q CA 0.189 56.055 55.803 0.104 0.000 0.903 252 Q CB 0.922 29.744 28.738 0.141 0.000 1.195 252 Q HN 0.561 nan 8.270 nan 0.000 0.386 253 I N -0.097 120.494 120.570 0.035 0.000 2.396 253 I HA 0.185 4.355 4.170 0.000 0.000 0.289 253 I C 0.799 176.930 176.117 0.024 0.000 1.056 253 I CA -0.240 61.061 61.300 0.002 0.000 1.365 253 I CB 1.040 38.986 38.000 -0.091 0.000 1.407 253 I HN 0.682 nan 8.210 nan 0.000 0.509 254 T N 2.148 116.746 114.554 0.073 0.000 3.151 254 T HA 0.349 4.699 4.350 0.000 0.000 0.239 254 T C 0.554 175.270 174.700 0.027 0.000 0.979 254 T CA -0.004 62.129 62.100 0.054 0.000 1.194 254 T CB 0.156 69.074 68.868 0.084 0.000 0.982 254 T HN 0.732 nan 8.240 nan 0.000 0.428 255 E N 0.124 120.404 120.200 0.134 0.000 2.383 255 E HA 0.586 4.936 4.350 0.000 0.000 0.275 255 E C -1.828 174.917 176.600 0.241 0.000 0.918 255 E CA -0.890 55.603 56.400 0.154 0.000 0.764 255 E CB 3.256 33.051 29.700 0.159 0.000 1.252 255 E HN 0.066 nan 8.360 nan 0.000 0.449 256 V N 2.669 122.678 119.914 0.158 0.000 2.294 256 V HA 0.367 4.487 4.120 0.000 0.000 0.272 256 V C 0.920 177.124 176.094 0.183 0.000 1.027 256 V CA 0.673 63.041 62.300 0.113 0.000 0.823 256 V CB 0.027 31.873 31.823 0.039 0.000 1.030 256 V HN 1.025 nan 8.190 nan 0.000 0.457 257 G N 5.531 114.481 108.800 0.250 0.000 2.646 257 G HA2 -0.368 3.592 3.960 0.000 0.000 0.324 257 G HA3 -0.368 3.592 3.960 0.000 0.000 0.324 257 G C 0.847 176.020 174.900 0.456 0.000 1.195 257 G CA 0.836 46.160 45.100 0.375 0.000 0.976 257 G HN 1.270 nan 8.290 nan 0.000 0.546 258 T N -1.555 113.168 114.554 0.281 0.000 3.243 258 T HA 0.718 5.068 4.350 0.000 0.000 0.264 258 T C 0.470 175.271 174.700 0.169 0.000 1.000 258 T CA 0.467 62.723 62.100 0.259 0.000 0.901 258 T CB -0.093 68.923 68.868 0.247 0.000 1.083 258 T HN 0.520 nan 8.240 nan 0.000 0.559 259 M N 1.502 121.190 119.600 0.146 0.000 2.591 259 M HA 0.453 4.933 4.480 0.000 0.000 0.306 259 M C -0.448 175.906 176.300 0.090 0.000 1.190 259 M CA -0.931 54.432 55.300 0.104 0.000 0.889 259 M CB 1.882 34.529 32.600 0.079 0.000 1.728 259 M HN -0.030 nan 8.290 nan 0.000 0.458 260 N N 1.639 120.385 118.700 0.076 0.000 2.482 260 N HA 0.255 4.995 4.740 0.000 0.000 0.260 260 N C -1.318 174.158 175.510 -0.056 0.000 1.236 260 N CA -0.160 52.885 53.050 -0.008 0.000 0.938 260 N CB 1.021 39.492 38.487 -0.027 0.000 1.128 260 N HN 0.467 nan 8.380 nan 0.000 0.448 261 L N 2.706 123.793 121.223 -0.225 0.000 2.282 261 L HA 0.475 4.815 4.340 0.000 0.000 0.288 261 L C -1.264 175.276 176.870 -0.549 0.000 1.033 261 L CA -0.254 54.428 54.840 -0.264 0.000 0.807 261 L CB -0.171 41.769 42.059 -0.197 0.000 1.209 261 L HN 0.388 nan 8.230 nan 0.000 0.423 262 F N 5.183 124.846 119.950 -0.480 0.000 2.508 262 F HA 0.528 5.055 4.527 0.000 0.000 0.325 262 F C -0.119 175.298 175.800 -0.639 0.000 1.090 262 F CA -0.617 56.989 58.000 -0.657 0.000 0.945 262 F CB 2.134 40.445 39.000 -1.149 0.000 1.156 262 F HN 0.248 nan 8.300 nan 0.000 0.463 263 L N 4.074 125.133 121.223 -0.273 0.000 2.406 263 L HA 0.398 4.738 4.340 0.000 0.000 0.272 263 L C -1.859 174.963 176.870 -0.080 0.000 0.980 263 L CA -0.907 53.763 54.840 -0.284 0.000 0.831 263 L CB 1.753 43.473 42.059 -0.565 0.000 1.253 263 L HN 0.610 nan 8.230 nan 0.000 0.406 264 Y N 6.885 127.151 120.300 -0.056 0.000 2.342 264 Y HA 0.597 5.147 4.550 -0.000 0.000 0.338 264 Y C -1.031 174.994 175.900 0.208 0.000 0.965 264 Y CA -0.958 57.186 58.100 0.074 0.000 1.159 264 Y CB 0.675 39.186 38.460 0.086 0.000 1.157 264 Y HN 0.575 nan 8.280 nan 0.000 0.486 265 W N 6.627 127.769 121.300 -0.264 0.000 2.959 265 W HA 0.518 5.178 4.660 -0.000 0.000 0.358 265 W C -2.327 174.064 176.519 -0.213 0.000 1.228 265 W CA -1.887 55.307 57.345 -0.250 0.000 1.183 265 W CB 0.083 29.483 29.460 -0.101 0.000 1.467 265 W HN 0.198 nan 8.180 nan 0.000 0.578 266 I N 4.439 124.854 120.570 -0.258 0.000 2.312 266 I HA 0.098 4.268 4.170 0.000 0.000 0.291 266 I C 0.690 176.257 176.117 -0.915 0.000 1.031 266 I CA -0.727 60.318 61.300 -0.426 0.000 1.293 266 I CB -0.266 37.584 38.000 -0.250 0.000 1.403 266 I HN 0.455 nan 8.210 nan 0.000 0.484 267 N N 5.644 123.740 118.700 -1.006 0.000 2.322 267 N HA 0.018 4.758 4.740 0.000 0.000 0.270 267 N C 0.564 175.689 175.510 -0.642 0.000 1.286 267 N CA -0.156 52.167 53.050 -1.210 0.000 0.948 267 N CB 0.434 38.558 38.487 -0.606 0.000 1.164 267 N HN 0.349 nan 8.380 nan 0.000 0.551 268 E N -1.275 118.660 120.200 -0.443 0.000 2.265 268 E HA -0.101 4.249 4.350 0.000 0.000 0.196 268 E C 0.176 176.687 176.600 -0.147 0.000 0.996 268 E CA 1.140 57.406 56.400 -0.224 0.000 0.832 268 E CB -0.158 29.478 29.700 -0.106 0.000 0.756 268 E HN 0.520 nan 8.360 nan 0.000 0.491 269 D N -0.862 119.455 120.400 -0.139 0.000 2.340 269 D HA 0.088 4.728 4.640 0.000 0.000 0.220 269 D C 1.003 177.249 176.300 -0.090 0.000 1.039 269 D CA 0.767 54.717 54.000 -0.084 0.000 0.866 269 D CB 0.591 41.362 40.800 -0.049 0.000 0.913 269 D HN 0.282 nan 8.370 nan 0.000 0.523 270 G N 1.572 110.289 108.800 -0.138 0.000 2.148 270 G HA2 -0.285 3.675 3.960 0.000 0.000 0.254 270 G HA3 -0.285 3.675 3.960 0.000 0.000 0.254 270 G C -0.005 174.833 174.900 -0.102 0.000 0.981 270 G CA -0.107 44.921 45.100 -0.120 0.000 0.670 270 G HN 0.369 nan 8.290 nan 0.000 0.528 271 E N 0.445 120.579 120.200 -0.110 0.000 2.216 271 E HA 0.388 4.738 4.350 0.000 0.000 0.279 271 E C 0.186 176.748 176.600 -0.064 0.000 0.997 271 E CA -0.648 55.723 56.400 -0.048 0.000 0.817 271 E CB 1.364 31.063 29.700 -0.001 0.000 1.096 271 E HN 0.398 nan 8.360 nan 0.000 0.393 272 E N 3.025 123.231 120.200 0.011 0.000 2.415 272 E HA -0.074 4.276 4.350 0.000 0.000 0.260 272 E C -0.711 175.999 176.600 0.182 0.000 1.016 272 E CA 0.530 56.956 56.400 0.045 0.000 0.924 272 E CB 0.540 30.314 29.700 0.124 0.000 0.961 272 E HN 0.438 nan 8.360 nan 0.000 0.459 273 E N 4.467 124.779 120.200 0.187 0.000 2.321 273 E HA 0.244 4.594 4.350 0.000 0.000 0.278 273 E C -1.852 175.027 176.600 0.465 0.000 0.902 273 E CA -0.899 55.716 56.400 0.358 0.000 0.758 273 E CB 1.173 31.069 29.700 0.326 0.000 1.213 273 E HN 0.357 nan 8.360 nan 0.000 0.426 274 L N 3.754 125.232 121.223 0.425 0.000 2.262 274 L HA 0.696 5.036 4.340 0.000 0.000 0.288 274 L C -1.099 175.950 176.870 0.299 0.000 1.035 274 L CA -0.070 54.986 54.840 0.359 0.000 0.820 274 L CB 0.849 43.116 42.059 0.348 0.000 1.204 274 L HN 0.595 nan 8.230 nan 0.000 0.424 275 A N 3.320 126.245 122.820 0.175 0.000 2.340 275 A HA 0.848 5.168 4.320 0.000 0.000 0.331 275 A C -0.422 177.075 177.584 -0.144 0.000 1.140 275 A CA -0.441 51.617 52.037 0.036 0.000 0.801 275 A CB 1.555 20.550 19.000 -0.007 0.000 1.234 275 A HN 0.623 nan 8.150 nan 0.000 0.469 276 T N 1.858 116.275 114.554 -0.228 0.000 2.923 276 T HA 0.642 4.992 4.350 0.000 0.000 0.311 276 T C -3.079 171.430 174.700 -0.318 0.000 1.183 276 T CA -1.306 60.517 62.100 -0.463 0.000 1.020 276 T CB 1.597 69.920 68.868 -0.909 0.000 1.165 276 T HN 0.344 nan 8.240 nan 0.000 0.482 277 P HA 0.227 nan 4.420 nan 0.000 0.267 277 P C -2.515 174.638 177.300 -0.244 0.000 1.200 277 P CA -0.891 62.074 63.100 -0.225 0.000 0.772 277 P CB -0.088 31.530 31.700 -0.135 0.000 0.855 278 P HA 0.135 nan 4.420 nan 0.000 0.276 278 P C -0.336 176.869 177.300 -0.158 0.000 1.244 278 P CA -0.151 62.800 63.100 -0.247 0.000 0.801 278 P CB 0.674 32.158 31.700 -0.359 0.000 1.006 279 L N 2.253 123.406 121.223 -0.116 0.000 2.376 279 L HA 0.058 4.398 4.340 0.000 0.000 0.250 279 L C 1.014 177.845 176.870 -0.066 0.000 1.335 279 L CA 0.210 54.998 54.840 -0.088 0.000 1.214 279 L CB -0.922 41.094 42.059 -0.072 0.000 1.395 279 L HN 0.410 nan 8.230 nan 0.000 0.424 280 D N -0.285 120.085 120.400 -0.050 0.000 2.368 280 D HA 0.122 4.762 4.640 0.000 0.000 0.218 280 D C 1.253 177.530 176.300 -0.038 0.000 1.112 280 D CA 0.498 54.494 54.000 -0.007 0.000 0.834 280 D CB 0.924 41.782 40.800 0.096 0.000 0.953 280 D HN 0.464 nan 8.370 nan 0.000 0.505 281 G N 1.267 110.016 108.800 -0.085 0.000 2.284 281 G HA2 -0.249 3.711 3.960 0.000 0.000 0.201 281 G HA3 -0.249 3.711 3.960 0.000 0.000 0.201 281 G C 0.842 175.625 174.900 -0.195 0.000 0.998 281 G CA 0.067 45.093 45.100 -0.122 0.000 0.651 281 G HN 0.520 nan 8.290 nan 0.000 0.489 282 I N -1.124 119.312 120.570 -0.223 0.000 4.018 282 I HA 0.524 4.694 4.170 0.000 0.000 0.337 282 I C -0.055 175.916 176.117 -0.244 0.000 1.327 282 I CA -0.427 60.687 61.300 -0.310 0.000 1.100 282 I CB 0.263 37.971 38.000 -0.487 0.000 1.025 282 I HN -0.089 nan 8.210 nan 0.000 0.396 283 I N 3.305 123.768 120.570 -0.178 0.000 2.377 283 I HA 0.298 4.468 4.170 0.000 0.000 0.293 283 I C -0.263 175.778 176.117 -0.126 0.000 0.987 283 I CA -0.854 60.361 61.300 -0.142 0.000 1.185 283 I CB 1.873 39.799 38.000 -0.122 0.000 1.341 283 I HN 0.083 nan 8.210 nan 0.000 0.455 284 L N 9.230 130.389 121.223 -0.107 0.000 2.361 284 L HA 0.312 4.652 4.340 0.000 0.000 0.278 284 L C -2.087 174.750 176.870 -0.054 0.000 1.113 284 L CA -1.253 53.541 54.840 -0.075 0.000 0.849 284 L CB 0.775 42.813 42.059 -0.035 0.000 1.155 284 L HN 0.265 nan 8.230 nan 0.000 0.452 285 P HA 0.127 nan 4.420 nan 0.000 0.256 285 P C 0.201 177.491 177.300 -0.018 0.000 1.688 285 P CA -0.202 62.874 63.100 -0.041 0.000 1.162 285 P CB 0.077 31.749 31.700 -0.046 0.000 1.870 286 G N 1.701 110.504 108.800 0.005 0.000 2.491 286 G HA2 0.130 4.090 3.960 0.000 0.000 0.242 286 G HA3 0.130 4.090 3.960 0.000 0.000 0.242 286 G C 1.227 176.145 174.900 0.030 0.000 1.266 286 G CA -0.523 44.599 45.100 0.036 0.000 0.844 286 G HN 0.187 nan 8.290 nan 0.000 0.571 287 V N 1.785 121.718 119.914 0.031 0.000 2.358 287 V HA -0.165 3.955 4.120 0.000 0.000 0.246 287 V C 3.100 179.210 176.094 0.027 0.000 1.047 287 V CA 2.448 64.748 62.300 0.000 0.000 1.035 287 V CB -0.919 30.918 31.823 0.024 0.000 0.658 287 V HN 0.819 nan 8.190 nan 0.000 0.452 288 T N -0.052 114.560 114.554 0.097 0.000 2.708 288 T HA -0.259 4.091 4.350 0.000 0.000 0.266 288 T C 2.009 176.788 174.700 0.131 0.000 1.037 288 T CA 1.803 63.971 62.100 0.113 0.000 1.146 288 T CB -0.336 68.608 68.868 0.126 0.000 0.865 288 T HN 0.385 nan 8.240 nan 0.000 0.435 289 R N 0.949 121.568 120.500 0.199 0.000 2.096 289 R HA -0.193 4.147 4.340 0.000 0.000 0.240 289 R C 2.587 179.024 176.300 0.227 0.000 1.139 289 R CA 1.837 58.139 56.100 0.336 0.000 0.952 289 R CB -0.174 30.248 30.300 0.204 0.000 0.854 289 R HN 0.141 nan 8.270 nan 0.000 0.436 290 R N 0.618 121.167 120.500 0.082 0.000 2.073 290 R HA -0.085 4.255 4.340 0.000 0.000 0.234 290 R C 2.208 178.501 176.300 -0.013 0.000 1.134 290 R CA 2.203 58.316 56.100 0.021 0.000 0.952 290 R CB -1.179 29.090 30.300 -0.052 0.000 0.850 290 R HN 0.376 nan 8.270 nan 0.000 0.433 291 C N -0.040 119.192 119.300 -0.113 0.000 2.413 291 C HA -0.010 4.450 4.460 0.000 0.000 0.276 291 C C 2.624 177.661 174.990 0.078 0.000 1.248 291 C CA 0.788 59.704 59.018 -0.170 0.000 1.742 291 C CB -0.975 26.588 27.740 -0.295 0.000 2.017 291 C HN 0.520 nan 8.230 nan 0.000 0.481 292 I N -0.086 120.498 120.570 0.024 0.000 2.202 292 I HA -0.171 3.999 4.170 0.000 0.000 0.242 292 I C 2.406 178.477 176.117 -0.077 0.000 1.091 292 I CA 1.049 62.302 61.300 -0.078 0.000 1.368 292 I CB -0.449 37.374 38.000 -0.295 0.000 1.058 292 I HN 0.200 nan 8.210 nan 0.000 0.410 293 L N 0.601 121.852 121.223 0.046 0.000 2.012 293 L HA -0.273 4.067 4.340 0.000 0.000 0.210 293 L C 2.149 178.994 176.870 -0.042 0.000 1.073 293 L CA 1.933 56.770 54.840 -0.005 0.000 0.748 293 L CB -1.263 40.860 42.059 0.106 0.000 0.891 293 L HN 0.244 nan 8.230 nan 0.000 0.431 294 D N -0.953 119.504 120.400 0.095 0.000 2.104 294 D HA -0.193 4.447 4.640 0.000 0.000 0.194 294 D C 2.284 178.563 176.300 -0.035 0.000 0.994 294 D CA 0.917 55.010 54.000 0.154 0.000 0.830 294 D CB -0.193 40.797 40.800 0.316 0.000 0.959 294 D HN 0.071 nan 8.370 nan 0.000 0.452 295 L N 0.910 122.026 121.223 -0.177 0.000 2.012 295 L HA -0.107 4.233 4.340 0.000 0.000 0.210 295 L C 2.411 178.614 176.870 -1.113 0.000 1.073 295 L CA 1.541 55.961 54.840 -0.700 0.000 0.748 295 L CB -1.347 40.247 42.059 -0.775 0.000 0.891 295 L HN -0.021 nan 8.230 nan 0.000 0.431 296 A N -1.782 120.609 122.820 -0.715 0.000 1.930 296 A HA -0.231 4.089 4.320 0.000 0.000 0.217 296 A C 2.161 179.580 177.584 -0.277 0.000 1.175 296 A CA 1.598 53.389 52.037 -0.409 0.000 0.627 296 A CB -0.881 18.096 19.000 -0.038 0.000 0.815 296 A HN 0.586 nan 8.150 nan 0.000 0.443 297 H N -0.855 118.123 119.070 -0.153 0.000 2.353 297 H HA -0.134 4.422 4.556 0.000 0.000 0.300 297 H C 2.415 177.675 175.328 -0.113 0.000 1.090 297 H CA 1.431 57.425 56.048 -0.090 0.000 1.327 297 H CB 0.146 29.882 29.762 -0.044 0.000 1.383 297 H HN 0.399 nan 8.280 nan 0.000 0.508 298 Q N -0.203 119.560 119.800 -0.062 0.000 2.046 298 Q HA -0.162 4.178 4.340 0.000 0.000 0.200 298 Q C 2.090 178.099 176.000 0.014 0.000 0.975 298 Q CA 0.951 56.711 55.803 -0.072 0.000 0.836 298 Q CB -0.571 28.073 28.738 -0.155 0.000 0.896 298 Q HN 0.584 nan 8.270 nan 0.000 0.428 299 W N 0.514 121.765 121.300 -0.082 0.000 2.304 299 W HA -0.071 4.589 4.660 0.000 0.000 0.315 299 W C 1.337 177.764 176.519 -0.155 0.000 1.233 299 W CA 1.809 59.075 57.345 -0.133 0.000 1.261 299 W CB -1.193 28.145 29.460 -0.202 0.000 1.150 299 W HN 0.459 nan 8.180 nan 0.000 0.494 300 G N 0.340 109.158 108.800 0.031 0.000 2.246 300 G HA2 -0.337 3.623 3.960 0.000 0.000 0.273 300 G HA3 -0.337 3.623 3.960 0.000 0.000 0.273 300 G C 0.705 175.565 174.900 -0.065 0.000 1.055 300 G CA 0.617 45.704 45.100 -0.023 0.000 0.851 300 G HN 0.428 nan 8.290 nan 0.000 0.500 301 E N -1.532 118.534 120.200 -0.223 0.000 2.389 301 E HA 0.362 4.712 4.350 0.000 0.000 0.199 301 E C 0.726 177.335 176.600 0.015 0.000 0.978 301 E CA 0.651 56.975 56.400 -0.127 0.000 0.912 301 E CB 0.362 30.000 29.700 -0.103 0.000 0.907 301 E HN 0.788 nan 8.360 nan 0.000 0.494 302 F N -1.175 118.888 119.950 0.188 0.000 2.715 302 F HA 0.486 5.013 4.527 0.000 0.000 0.318 302 F C -0.573 175.338 175.800 0.184 0.000 1.141 302 F CA -1.683 56.434 58.000 0.195 0.000 0.950 302 F CB 0.854 40.021 39.000 0.277 0.000 1.374 302 F HN -0.463 nan 8.300 nan 0.000 0.477 303 K N 1.150 121.822 120.400 0.453 0.000 2.326 303 K HA 0.542 4.862 4.320 0.000 0.000 0.275 303 K C -1.426 175.425 176.600 0.418 0.000 1.018 303 K CA -0.329 56.159 56.287 0.334 0.000 0.962 303 K CB 0.965 33.614 32.500 0.247 0.000 0.953 303 K HN 0.608 nan 8.250 nan 0.000 0.475 304 V N 3.291 123.382 119.914 0.296 0.000 2.407 304 V HA 0.255 4.375 4.120 0.000 0.000 0.291 304 V C -0.962 175.254 176.094 0.203 0.000 1.018 304 V CA -0.720 61.716 62.300 0.227 0.000 0.842 304 V CB 1.605 33.399 31.823 -0.048 0.000 0.996 304 V HN 0.771 nan 8.190 nan 0.000 0.426 305 S N 3.729 119.538 115.700 0.183 0.000 2.561 305 S HA 0.470 4.940 4.470 0.000 0.000 0.303 305 S C -0.554 174.081 174.600 0.058 0.000 1.110 305 S CA -0.814 57.466 58.200 0.134 0.000 1.034 305 S CB 1.581 64.871 63.200 0.151 0.000 1.010 305 S HN 0.765 nan 8.310 nan 0.000 0.482 306 E N 2.888 123.100 120.200 0.020 0.000 2.105 306 E HA 0.417 4.767 4.350 0.000 0.000 0.285 306 E C 0.069 176.588 176.600 -0.134 0.000 1.055 306 E CA -0.373 55.983 56.400 -0.073 0.000 0.843 306 E CB 0.769 30.430 29.700 -0.065 0.000 1.067 306 E HN 0.348 nan 8.360 nan 0.000 0.398 307 R N 3.684 124.066 120.500 -0.198 0.000 2.687 307 R HA 0.117 4.457 4.340 0.000 0.000 0.265 307 R C -1.592 174.569 176.300 -0.231 0.000 1.048 307 R CA -0.588 55.383 56.100 -0.215 0.000 0.884 307 R CB 0.715 31.000 30.300 -0.026 0.000 1.258 307 R HN 0.483 nan 8.270 nan 0.000 0.469 308 Y N 2.150 122.456 120.300 0.009 0.000 2.497 308 Y HA 0.270 4.820 4.550 -0.000 0.000 0.334 308 Y C 0.251 176.147 175.900 -0.006 0.000 1.199 308 Y CA -0.318 57.781 58.100 -0.000 0.000 1.425 308 Y CB 0.657 39.131 38.460 0.023 0.000 1.291 308 Y HN 0.232 nan 8.280 nan 0.000 0.562 309 L N 3.369 124.672 121.223 0.134 0.000 2.441 309 L HA 0.348 4.688 4.340 0.000 0.000 0.270 309 L C -0.054 176.822 176.870 0.010 0.000 0.973 309 L CA -0.751 54.086 54.840 -0.006 0.000 0.842 309 L CB 1.619 43.578 42.059 -0.167 0.000 1.239 309 L HN 0.760 nan 8.230 nan 0.000 0.406 310 T N -0.475 114.091 114.554 0.020 0.000 2.948 310 T HA 0.431 4.781 4.350 0.000 0.000 0.285 310 T C 1.285 175.969 174.700 -0.026 0.000 1.019 310 T CA -0.781 61.331 62.100 0.020 0.000 1.013 310 T CB 1.138 70.035 68.868 0.049 0.000 1.117 310 T HN 0.324 nan 8.240 nan 0.000 0.533 311 M N 0.726 120.301 119.600 -0.042 0.000 2.159 311 M HA -0.048 4.432 4.480 0.000 0.000 0.263 311 M C 1.403 177.687 176.300 -0.026 0.000 1.063 311 M CA 1.412 56.630 55.300 -0.136 0.000 1.110 311 M CB -1.410 30.995 32.600 -0.324 0.000 1.374 311 M HN 0.677 nan 8.290 nan 0.000 0.411 312 D N 0.541 120.972 120.400 0.053 0.000 2.117 312 D HA -0.131 4.509 4.640 0.000 0.000 0.198 312 D C 1.555 177.910 176.300 0.090 0.000 0.982 312 D CA 1.017 55.066 54.000 0.082 0.000 0.828 312 D CB -0.286 40.570 40.800 0.093 0.000 0.967 312 D HN 0.267 nan 8.370 nan 0.000 0.464 313 D N 0.575 121.036 120.400 0.102 0.000 2.116 313 D HA -0.148 4.492 4.640 0.000 0.000 0.193 313 D C 2.201 178.625 176.300 0.206 0.000 0.998 313 D CA 0.378 54.489 54.000 0.184 0.000 0.836 313 D CB -0.347 40.570 40.800 0.195 0.000 0.951 313 D HN 0.199 nan 8.370 nan 0.000 0.449 314 L N 0.709 121.971 121.223 0.064 0.000 2.005 314 L HA -0.161 4.179 4.340 0.000 0.000 0.207 314 L C 2.556 179.466 176.870 0.068 0.000 1.072 314 L CA 1.925 56.777 54.840 0.019 0.000 0.744 314 L CB -0.650 41.353 42.059 -0.094 0.000 0.895 314 L HN 0.209 nan 8.230 nan 0.000 0.433 315 T N -4.833 109.752 114.554 0.051 0.000 2.821 315 T HA -0.159 4.191 4.350 0.000 0.000 0.267 315 T C 1.723 176.470 174.700 0.079 0.000 1.046 315 T CA 1.603 63.741 62.100 0.063 0.000 1.139 315 T CB -0.734 68.176 68.868 0.070 0.000 0.871 315 T HN 0.241 nan 8.240 nan 0.000 0.454 316 T N 2.208 116.817 114.554 0.092 0.000 2.708 316 T HA 0.084 4.434 4.350 0.000 0.000 0.266 316 T C 2.474 177.229 174.700 0.091 0.000 1.037 316 T CA 1.353 63.504 62.100 0.085 0.000 1.146 316 T CB -0.826 68.093 68.868 0.086 0.000 0.865 316 T HN 0.605 nan 8.240 nan 0.000 0.435 317 A N 0.961 123.870 122.820 0.149 0.000 1.930 317 A HA 0.057 4.377 4.320 0.000 0.000 0.217 317 A C 2.281 179.936 177.584 0.117 0.000 1.175 317 A CA 1.094 53.228 52.037 0.161 0.000 0.627 317 A CB -0.775 18.459 19.000 0.391 0.000 0.815 317 A HN 0.469 nan 8.150 nan 0.000 0.443 318 L N -0.991 120.297 121.223 0.108 0.000 2.093 318 L HA -0.171 4.169 4.340 0.000 0.000 0.208 318 L C 2.573 179.481 176.870 0.063 0.000 1.085 318 L CA 1.600 56.488 54.840 0.079 0.000 0.755 318 L CB -0.406 41.694 42.059 0.067 0.000 0.904 318 L HN 0.512 nan 8.230 nan 0.000 0.435 319 E N 0.079 120.314 120.200 0.059 0.000 2.110 319 E HA -0.182 4.168 4.350 0.000 0.000 0.193 319 E C 1.747 178.368 176.600 0.035 0.000 0.988 319 E CA 1.103 57.531 56.400 0.046 0.000 0.804 319 E CB -0.076 29.651 29.700 0.044 0.000 0.745 319 E HN 0.459 nan 8.360 nan 0.000 0.458 320 G N -0.178 108.641 108.800 0.032 0.000 3.448 320 G HA2 -0.036 3.924 3.960 0.000 0.000 0.261 320 G HA3 -0.036 3.924 3.960 0.000 0.000 0.261 320 G C -0.185 174.722 174.900 0.011 0.000 1.173 320 G CA -0.203 44.907 45.100 0.015 0.000 0.835 320 G HN 0.191 nan 8.290 nan 0.000 0.534 321 N N -0.068 118.647 118.700 0.026 0.000 2.710 321 N HA -0.178 4.562 4.740 0.000 0.000 0.249 321 N C 1.261 176.777 175.510 0.011 0.000 1.059 321 N CA 0.827 53.892 53.050 0.024 0.000 0.720 321 N CB -0.647 37.850 38.487 0.018 0.000 0.983 321 N HN 0.515 nan 8.380 nan 0.000 0.544 322 R N -0.583 119.929 120.500 0.020 0.000 2.280 322 R HA 0.167 4.507 4.340 0.000 0.000 0.195 322 R C 0.441 176.776 176.300 0.057 0.000 0.935 322 R CA 0.190 56.287 56.100 -0.006 0.000 1.033 322 R CB 0.663 30.928 30.300 -0.057 0.000 0.964 322 R HN -0.017 nan 8.270 nan 0.000 0.489 323 V N 1.604 121.582 119.914 0.107 0.000 2.498 323 V HA 0.136 4.256 4.120 0.000 0.000 0.279 323 V C 1.057 177.175 176.094 0.039 0.000 1.048 323 V CA 0.024 62.401 62.300 0.128 0.000 0.967 323 V CB 1.529 33.420 31.823 0.113 0.000 0.988 323 V HN 0.243 nan 8.190 nan 0.000 0.473 324 R N 2.527 123.026 120.500 -0.001 0.000 2.056 324 R HA 0.317 4.657 4.340 0.000 0.000 0.215 324 R C -0.086 176.262 176.300 0.080 0.000 1.205 324 R CA 0.344 56.428 56.100 -0.026 0.000 1.020 324 R CB 0.463 30.614 30.300 -0.248 0.000 0.911 324 R HN 0.720 nan 8.270 nan 0.000 0.451 325 E N 0.035 120.333 120.200 0.163 0.000 2.356 325 E HA 0.387 4.737 4.350 0.000 0.000 0.275 325 E C -1.404 175.306 176.600 0.184 0.000 0.904 325 E CA -0.415 56.115 56.400 0.217 0.000 0.757 325 E CB 3.104 33.016 29.700 0.354 0.000 1.232 325 E HN -0.051 nan 8.360 nan 0.000 0.442 326 M N 3.641 123.318 119.600 0.129 0.000 2.327 326 M HA 0.549 5.029 4.480 0.000 0.000 0.298 326 M C -1.961 174.414 176.300 0.125 0.000 1.065 326 M CA -0.699 54.616 55.300 0.025 0.000 0.916 326 M CB 1.021 33.581 32.600 -0.065 0.000 1.630 326 M HN 0.617 nan 8.290 nan 0.000 0.442 327 F N 0.917 120.865 119.950 -0.004 0.000 2.626 327 F HA 0.834 5.361 4.527 0.000 0.000 0.311 327 F C -1.243 174.591 175.800 0.056 0.000 1.088 327 F CA -0.905 57.077 58.000 -0.030 0.000 0.949 327 F CB 1.047 39.984 39.000 -0.104 0.000 1.322 327 F HN 0.402 nan 8.300 nan 0.000 0.461 328 S N 0.718 116.529 115.700 0.185 0.000 2.608 328 S HA 0.773 5.243 4.470 0.000 0.000 0.291 328 S C -0.683 174.066 174.600 0.248 0.000 1.146 328 S CA -0.636 57.653 58.200 0.148 0.000 1.043 328 S CB 1.458 64.704 63.200 0.077 0.000 1.037 328 S HN 0.949 nan 8.310 nan 0.000 0.520 329 S N 0.175 116.024 115.700 0.247 0.000 2.538 329 S HA 0.929 5.399 4.470 0.000 0.000 0.288 329 S C -0.318 174.372 174.600 0.149 0.000 1.108 329 S CA -0.616 57.726 58.200 0.237 0.000 0.971 329 S CB 1.546 64.959 63.200 0.355 0.000 1.041 329 S HN 1.277 nan 8.310 nan 0.000 0.483 330 G N 0.706 109.564 108.800 0.097 0.000 2.523 330 G HA2 0.459 4.419 3.960 0.000 0.000 0.291 330 G HA3 0.459 4.419 3.960 0.000 0.000 0.291 330 G C 0.125 175.062 174.900 0.062 0.000 1.450 330 G CA -0.222 44.922 45.100 0.073 0.000 0.790 330 G HN 0.546 nan 8.290 nan 0.000 0.496 331 T N 0.989 115.605 114.554 0.103 0.000 2.708 331 T HA -0.046 4.304 4.350 0.000 0.000 0.266 331 T C 2.806 177.578 174.700 0.120 0.000 1.037 331 T CA 2.670 64.866 62.100 0.160 0.000 1.146 331 T CB -0.423 68.602 68.868 0.262 0.000 0.865 331 T HN 0.932 nan 8.240 nan 0.000 0.435 332 A N 0.979 123.792 122.820 -0.011 0.000 1.873 332 A HA -0.168 4.152 4.320 0.000 0.000 0.218 332 A C 2.664 180.105 177.584 -0.238 0.000 1.193 332 A CA 2.031 53.966 52.037 -0.169 0.000 0.629 332 A CB -1.090 17.570 19.000 -0.566 0.000 0.826 332 A HN 0.799 nan 8.150 nan 0.000 0.447 333 C N -3.154 115.906 119.300 -0.401 0.000 3.038 333 C HA 0.492 4.952 4.460 0.000 0.000 0.279 333 C C 1.850 176.831 174.990 -0.014 0.000 1.276 333 C CA 0.260 59.047 59.018 -0.385 0.000 1.697 333 C CB -0.512 26.832 27.740 -0.660 0.000 2.032 333 C HN 1.675 nan 8.230 nan 0.000 0.636 334 V N 0.571 120.499 119.914 0.024 0.000 0.540 334 V HA -0.246 3.874 4.120 0.000 0.000 0.092 334 V C 0.243 176.390 176.094 0.088 0.000 2.123 334 V CA 2.612 64.956 62.300 0.072 0.000 3.520 334 V CB -1.553 30.318 31.823 0.080 0.000 0.812 334 V HN 0.817 nan 8.190 nan 0.000 0.847 335 V N 0.101 120.086 119.914 0.117 0.000 2.733 335 V HA 0.697 4.817 4.120 0.000 0.000 0.306 335 V C -0.525 175.588 176.094 0.032 0.000 1.084 335 V CA 0.073 62.424 62.300 0.085 0.000 0.905 335 V CB 1.447 33.250 31.823 -0.033 0.000 1.010 335 V HN 0.943 nan 8.190 nan 0.000 0.424 336 C N 8.715 128.009 119.300 -0.010 0.000 2.407 336 C HA 0.630 5.090 4.460 0.000 0.000 0.328 336 C C -2.606 172.328 174.990 -0.093 0.000 1.137 336 C CA -1.860 57.115 59.018 -0.070 0.000 1.390 336 C CB 1.385 29.117 27.740 -0.012 0.000 1.989 336 C HN 0.726 nan 8.230 nan 0.000 0.432 337 P HA 0.180 nan 4.420 nan 0.000 0.271 337 P C -0.755 176.514 177.300 -0.050 0.000 1.218 337 P CA 0.295 63.289 63.100 -0.176 0.000 0.780 337 P CB 0.922 32.417 31.700 -0.342 0.000 0.901 338 V N 2.648 122.554 119.914 -0.014 0.000 2.384 338 V HA 0.159 4.279 4.120 0.000 0.000 0.287 338 V C 1.505 177.566 176.094 -0.055 0.000 1.020 338 V CA 0.171 62.457 62.300 -0.023 0.000 0.850 338 V CB 1.103 32.909 31.823 -0.028 0.000 0.987 338 V HN 0.739 nan 8.190 nan 0.000 0.436 339 S N 1.887 117.555 115.700 -0.053 0.000 2.497 339 S HA 0.266 4.736 4.470 0.000 0.000 0.221 339 S C 0.255 174.750 174.600 -0.174 0.000 1.037 339 S CA -0.107 58.021 58.200 -0.119 0.000 0.920 339 S CB 0.387 63.587 63.200 -0.000 0.000 0.800 339 S HN 0.704 nan 8.310 nan 0.000 0.505 340 D N 0.252 120.622 120.400 -0.050 0.000 2.736 340 D HA 0.486 5.126 4.640 0.000 0.000 0.223 340 D C -1.520 174.787 176.300 0.012 0.000 1.231 340 D CA -0.366 53.637 54.000 0.006 0.000 0.818 340 D CB 2.189 43.043 40.800 0.091 0.000 1.587 340 D HN 0.182 nan 8.370 nan 0.000 0.463 341 I N 1.565 122.146 120.570 0.019 0.000 2.447 341 I HA 0.213 4.383 4.170 0.000 0.000 0.287 341 I C -0.475 175.676 176.117 0.056 0.000 1.023 341 I CA -0.708 60.599 61.300 0.011 0.000 1.083 341 I CB 2.183 40.149 38.000 -0.057 0.000 1.245 341 I HN 0.098 nan 8.210 nan 0.000 0.434 342 L N 6.942 128.215 121.223 0.083 0.000 2.260 342 L HA 0.369 4.709 4.340 0.000 0.000 0.289 342 L C -1.131 175.713 176.870 -0.044 0.000 1.057 342 L CA -0.204 54.691 54.840 0.092 0.000 0.811 342 L CB 0.450 42.685 42.059 0.292 0.000 1.184 342 L HN 0.608 nan 8.230 nan 0.000 0.429 343 Y N 4.270 124.455 120.300 -0.192 0.000 2.399 343 Y HA 0.179 4.729 4.550 -0.000 0.000 0.327 343 Y C 0.041 175.829 175.900 -0.187 0.000 1.111 343 Y CA -0.984 56.964 58.100 -0.254 0.000 1.047 343 Y CB 1.110 39.456 38.460 -0.190 0.000 1.259 343 Y HN 0.587 nan 8.280 nan 0.000 0.434 344 K N 4.605 124.622 120.400 -0.639 0.000 3.148 344 K HA -0.249 4.071 4.320 0.000 0.000 0.267 344 K C 0.853 177.310 176.600 -0.238 0.000 0.996 344 K CA 1.077 57.057 56.287 -0.511 0.000 0.737 344 K CB -1.735 30.377 32.500 -0.646 0.000 1.308 344 K HN 1.384 nan 8.250 nan 0.000 0.470 345 G N -0.375 108.332 108.800 -0.154 0.000 2.212 345 G HA2 -0.346 3.614 3.960 0.000 0.000 0.266 345 G HA3 -0.346 3.614 3.960 0.000 0.000 0.266 345 G C -0.023 174.875 174.900 -0.003 0.000 0.978 345 G CA 0.992 46.068 45.100 -0.041 0.000 0.632 345 G HN 0.534 nan 8.290 nan 0.000 0.537 346 E N 0.046 120.237 120.200 -0.016 0.000 2.222 346 E HA 0.572 4.922 4.350 0.000 0.000 0.267 346 E C -0.559 176.077 176.600 0.061 0.000 0.963 346 E CA -0.450 55.965 56.400 0.025 0.000 0.837 346 E CB 1.219 30.931 29.700 0.020 0.000 1.183 346 E HN 0.075 nan 8.360 nan 0.000 0.403 347 T N 2.340 116.939 114.554 0.074 0.000 2.753 347 T HA 0.377 4.727 4.350 0.000 0.000 0.297 347 T C -0.003 174.755 174.700 0.097 0.000 0.981 347 T CA -0.404 61.751 62.100 0.093 0.000 0.956 347 T CB -0.140 68.785 68.868 0.096 0.000 0.936 347 T HN 0.236 nan 8.240 nan 0.000 0.463 348 I N 3.331 123.958 120.570 0.097 0.000 2.315 348 I HA 0.249 4.419 4.170 0.000 0.000 0.291 348 I C 0.401 176.582 176.117 0.107 0.000 1.006 348 I CA -0.813 60.544 61.300 0.095 0.000 1.265 348 I CB 0.670 38.712 38.000 0.069 0.000 1.387 348 I HN 0.589 nan 8.210 nan 0.000 0.475 349 H N 7.177 126.268 119.070 0.034 0.000 2.580 349 H HA 0.415 4.971 4.556 0.000 0.000 0.322 349 H C -0.684 174.662 175.328 0.029 0.000 1.082 349 H CA -0.293 55.775 56.048 0.033 0.000 1.383 349 H CB 0.736 30.518 29.762 0.034 0.000 1.450 349 H HN 0.318 nan 8.280 nan 0.000 0.505 350 I N 7.892 128.165 120.570 -0.495 0.000 2.354 350 I HA 0.186 4.356 4.170 0.000 0.000 0.292 350 I C -1.988 173.860 176.117 -0.449 0.000 0.989 350 I CA -2.748 58.359 61.300 -0.322 0.000 1.188 350 I CB 1.525 39.414 38.000 -0.185 0.000 1.342 350 I HN 0.655 nan 8.210 nan 0.000 0.457 351 P HA 0.065 nan 4.420 nan 0.000 0.259 351 P C 0.957 178.266 177.300 0.014 0.000 1.480 351 P CA 0.169 63.266 63.100 -0.005 0.000 0.842 351 P CB -0.075 31.672 31.700 0.078 0.000 1.513 352 T N 0.188 114.724 114.554 -0.030 0.000 2.635 352 T HA -0.146 4.204 4.350 0.000 0.000 0.267 352 T C 1.793 176.522 174.700 0.047 0.000 1.040 352 T CA 1.468 63.581 62.100 0.023 0.000 1.156 352 T CB -0.374 68.496 68.868 0.003 0.000 0.863 352 T HN 0.069 nan 8.240 nan 0.000 0.430 353 M N 0.868 120.499 119.600 0.052 0.000 2.319 353 M HA 0.071 4.551 4.480 0.000 0.000 0.265 353 M C 2.021 178.377 176.300 0.094 0.000 1.068 353 M CA 1.171 56.522 55.300 0.085 0.000 1.118 353 M CB -1.162 31.500 32.600 0.103 0.000 1.395 353 M HN 0.206 nan 8.290 nan 0.000 0.435 354 E N 0.504 120.766 120.200 0.104 0.000 2.274 354 E HA -0.036 4.314 4.350 0.000 0.000 0.194 354 E C 0.865 177.510 176.600 0.075 0.000 0.996 354 E CA 0.576 57.033 56.400 0.095 0.000 0.840 354 E CB -0.099 29.671 29.700 0.116 0.000 0.772 354 E HN 0.410 nan 8.360 nan 0.000 0.491 355 N N -0.239 118.506 118.700 0.075 0.000 2.327 355 N HA 0.167 4.907 4.740 0.000 0.000 0.231 355 N C 0.479 176.035 175.510 0.078 0.000 1.130 355 N CA 0.715 53.808 53.050 0.073 0.000 0.845 355 N CB 1.359 39.891 38.487 0.076 0.000 1.073 355 N HN 0.229 nan 8.380 nan 0.000 0.496 356 G N 1.353 110.196 108.800 0.072 0.000 1.929 356 G HA2 -0.176 3.784 3.960 0.000 0.000 0.219 356 G HA3 -0.176 3.784 3.960 0.000 0.000 0.219 356 G C -2.512 172.443 174.900 0.091 0.000 2.200 356 G CA -0.634 44.507 45.100 0.068 0.000 1.552 356 G HN 0.256 nan 8.290 nan 0.000 0.498 357 P HA 0.345 nan 4.420 nan 0.000 0.287 357 P C 0.469 177.799 177.300 0.050 0.000 1.307 357 P CA 0.061 63.203 63.100 0.070 0.000 0.777 357 P CB 1.795 33.500 31.700 0.008 0.000 0.883 358 K N 2.896 123.328 120.400 0.054 0.000 1.991 358 K HA -0.187 4.133 4.320 0.000 0.000 0.212 358 K C 1.632 178.205 176.600 -0.044 0.000 1.049 358 K CA 1.346 57.648 56.287 0.024 0.000 0.932 358 K CB -0.389 32.151 32.500 0.067 0.000 0.717 358 K HN 0.252 nan 8.250 nan 0.000 0.441 359 L N 0.725 121.892 121.223 -0.093 0.000 2.044 359 L HA 0.049 4.389 4.340 0.000 0.000 0.205 359 L C 2.245 178.946 176.870 -0.282 0.000 1.075 359 L CA 1.965 56.667 54.840 -0.229 0.000 0.747 359 L CB -0.763 40.995 42.059 -0.502 0.000 0.903 359 L HN 0.284 nan 8.230 nan 0.000 0.435 360 A N -1.194 121.374 122.820 -0.420 0.000 1.917 360 A HA -0.238 4.082 4.320 0.000 0.000 0.219 360 A C 2.380 179.879 177.584 -0.142 0.000 1.182 360 A CA 2.293 53.952 52.037 -0.630 0.000 0.633 360 A CB -1.039 17.537 19.000 -0.707 0.000 0.819 360 A HN 0.545 nan 8.150 nan 0.000 0.448 361 S N -1.047 114.682 115.700 0.048 0.000 2.368 361 S HA -0.140 4.330 4.470 0.000 0.000 0.224 361 S C 2.063 176.657 174.600 -0.010 0.000 1.029 361 S CA 1.196 59.457 58.200 0.101 0.000 0.988 361 S CB -0.335 62.899 63.200 0.055 0.000 0.838 361 S HN 0.660 nan 8.310 nan 0.000 0.462 362 R N 0.926 121.396 120.500 -0.050 0.000 2.081 362 R HA -0.032 4.308 4.340 0.000 0.000 0.235 362 R C 2.123 178.452 176.300 0.049 0.000 1.131 362 R CA 1.320 57.385 56.100 -0.059 0.000 0.960 362 R CB -0.370 29.833 30.300 -0.161 0.000 0.856 362 R HN 0.382 nan 8.270 nan 0.000 0.436 363 I N 0.712 121.321 120.570 0.065 0.000 2.202 363 I HA -0.287 3.883 4.170 0.000 0.000 0.242 363 I C 2.377 178.540 176.117 0.076 0.000 1.091 363 I CA 0.722 62.095 61.300 0.122 0.000 1.368 363 I CB -0.277 37.701 38.000 -0.037 0.000 1.058 363 I HN 0.231 nan 8.210 nan 0.000 0.410 364 L N 0.345 121.598 121.223 0.050 0.000 2.012 364 L HA -0.226 4.114 4.340 0.000 0.000 0.210 364 L C 2.581 179.475 176.870 0.041 0.000 1.073 364 L CA 1.947 56.835 54.840 0.081 0.000 0.748 364 L CB -0.565 41.586 42.059 0.153 0.000 0.891 364 L HN 0.089 nan 8.230 nan 0.000 0.431 365 S N -0.586 115.118 115.700 0.007 0.000 2.368 365 S HA -0.242 4.228 4.470 0.000 0.000 0.225 365 S C 1.940 176.563 174.600 0.038 0.000 1.030 365 S CA 1.668 59.862 58.200 -0.010 0.000 0.999 365 S CB -0.327 62.849 63.200 -0.040 0.000 0.844 365 S HN 0.444 nan 8.310 nan 0.000 0.459 366 K N 1.425 121.878 120.400 0.089 0.000 2.002 366 K HA 0.028 4.348 4.320 0.000 0.000 0.209 366 K C 1.931 178.599 176.600 0.113 0.000 1.048 366 K CA 1.182 57.550 56.287 0.136 0.000 0.930 366 K CB -0.458 32.205 32.500 0.270 0.000 0.714 366 K HN 0.253 nan 8.250 nan 0.000 0.438 367 L N 0.631 121.914 121.223 0.100 0.000 2.046 367 L HA -0.200 4.140 4.340 0.000 0.000 0.208 367 L C 2.596 179.416 176.870 -0.083 0.000 1.077 367 L CA 1.958 56.812 54.840 0.025 0.000 0.747 367 L CB -1.049 40.995 42.059 -0.024 0.000 0.896 367 L HN 0.515 nan 8.230 nan 0.000 0.432 368 T N -4.198 110.354 114.554 -0.004 0.000 2.821 368 T HA -0.167 4.183 4.350 0.000 0.000 0.267 368 T C 1.509 176.286 174.700 0.128 0.000 1.046 368 T CA 1.152 63.301 62.100 0.082 0.000 1.139 368 T CB -0.366 68.603 68.868 0.169 0.000 0.871 368 T HN 0.156 nan 8.240 nan 0.000 0.454 369 D N 1.612 122.055 120.400 0.073 0.000 2.126 369 D HA -0.066 4.574 4.640 0.000 0.000 0.190 369 D C 2.001 178.341 176.300 0.067 0.000 1.001 369 D CA 1.164 55.205 54.000 0.069 0.000 0.841 369 D CB -0.472 40.357 40.800 0.047 0.000 0.949 369 D HN 0.453 nan 8.370 nan 0.000 0.446 370 I N 0.484 121.087 120.570 0.054 0.000 2.142 370 I HA -0.300 3.870 4.170 0.000 0.000 0.240 370 I C 2.524 178.652 176.117 0.018 0.000 1.078 370 I CA 1.192 62.543 61.300 0.086 0.000 1.343 370 I CB -0.270 37.864 38.000 0.224 0.000 1.046 370 I HN 0.012 nan 8.210 nan 0.000 0.405 371 Q N -0.340 119.327 119.800 -0.221 0.000 2.096 371 Q HA -0.213 4.127 4.340 0.000 0.000 0.204 371 Q C 1.550 177.211 176.000 -0.566 0.000 0.982 371 Q CA 1.784 57.164 55.803 -0.705 0.000 0.850 371 Q CB -0.127 27.602 28.738 -1.683 0.000 0.901 371 Q HN 0.562 nan 8.270 nan 0.000 0.422 372 Y N -1.133 119.054 120.300 -0.188 0.000 2.461 372 Y HA 0.224 4.774 4.550 0.000 0.000 0.277 372 Y C 1.295 177.204 175.900 0.016 0.000 1.182 372 Y CA 0.301 58.386 58.100 -0.025 0.000 1.276 372 Y CB 0.732 39.194 38.460 0.002 0.000 1.087 372 Y HN 0.209 nan 8.280 nan 0.000 0.519 373 G N 0.409 109.275 108.800 0.109 0.000 2.148 373 G HA2 -0.340 3.620 3.960 0.000 0.000 0.254 373 G HA3 -0.340 3.620 3.960 0.000 0.000 0.254 373 G C 1.342 176.289 174.900 0.079 0.000 0.981 373 G CA 0.481 45.635 45.100 0.090 0.000 0.670 373 G HN 0.432 nan 8.290 nan 0.000 0.528 374 R N 0.066 120.616 120.500 0.083 0.000 2.115 374 R HA 0.065 4.405 4.340 0.000 0.000 0.226 374 R C 1.101 177.422 176.300 0.036 0.000 1.100 374 R CA 1.205 57.338 56.100 0.055 0.000 0.980 374 R CB 0.186 30.515 30.300 0.048 0.000 0.875 374 R HN 0.599 nan 8.270 nan 0.000 0.445 375 E N 1.428 121.650 120.200 0.036 0.000 2.176 375 E HA 0.112 4.462 4.350 0.000 0.000 0.267 375 E C -1.253 175.355 176.600 0.013 0.000 0.893 375 E CA -0.313 56.097 56.400 0.016 0.000 0.761 375 E CB 1.335 31.040 29.700 0.009 0.000 1.133 375 E HN 0.044 nan 8.360 nan 0.000 0.409 376 E N 1.970 122.170 120.200 -0.000 0.000 2.299 376 E HA 0.188 4.538 4.350 0.000 0.000 0.272 376 E C -0.879 175.697 176.600 -0.040 0.000 1.043 376 E CA 0.193 56.590 56.400 -0.005 0.000 0.895 376 E CB 1.447 31.143 29.700 -0.006 0.000 1.011 376 E HN 0.182 nan 8.360 nan 0.000 0.432 377 S N 1.228 116.908 115.700 -0.034 0.000 2.556 377 S HA 0.074 4.544 4.470 0.000 0.000 0.271 377 S C -0.179 174.396 174.600 -0.041 0.000 1.135 377 S CA -0.854 57.283 58.200 -0.105 0.000 0.858 377 S CB 1.021 64.104 63.200 -0.195 0.000 1.114 377 S HN 0.671 nan 8.310 nan 0.000 0.468 378 D N 1.007 121.363 120.400 -0.073 0.000 2.371 378 D HA -0.075 4.565 4.640 0.000 0.000 0.221 378 D C 0.997 177.376 176.300 0.133 0.000 0.986 378 D CA 0.570 54.581 54.000 0.018 0.000 0.899 378 D CB -0.093 40.712 40.800 0.009 0.000 0.902 378 D HN 0.543 nan 8.370 nan 0.000 0.530 379 W N 2.049 123.283 121.300 -0.110 0.000 2.465 379 W HA 0.064 4.724 4.660 -0.000 0.000 0.268 379 W C 0.851 177.215 176.519 -0.258 0.000 1.242 379 W CA 0.758 57.947 57.345 -0.260 0.000 1.248 379 W CB -0.991 28.288 29.460 -0.302 0.000 1.118 379 W HN 0.009 nan 8.180 nan 0.000 0.587 380 T N -1.572 113.068 114.554 0.144 0.000 2.945 380 T HA 0.731 5.081 4.350 0.000 0.000 0.286 380 T C -0.572 174.178 174.700 0.084 0.000 1.025 380 T CA -0.605 61.576 62.100 0.135 0.000 1.039 380 T CB 2.524 71.504 68.868 0.186 0.000 1.068 380 T HN -0.175 nan 8.240 nan 0.000 0.497 381 I N 1.612 122.232 120.570 0.084 0.000 2.533 381 I HA 0.369 4.539 4.170 0.000 0.000 0.290 381 I C -0.400 175.758 176.117 0.068 0.000 1.056 381 I CA -1.338 59.997 61.300 0.059 0.000 1.057 381 I CB 2.477 40.500 38.000 0.038 0.000 1.240 381 I HN 0.482 nan 8.210 nan 0.000 0.423 382 V N 6.182 126.129 119.914 0.055 0.000 2.715 382 V HA 0.110 4.231 4.120 0.000 0.000 0.299 382 V C 0.585 176.705 176.094 0.044 0.000 1.054 382 V CA -0.437 61.895 62.300 0.053 0.000 1.077 382 V CB 1.298 33.148 31.823 0.044 0.000 0.972 382 V HN 0.506 nan 8.190 nan 0.000 0.484 383 L N 3.870 125.120 121.223 0.044 0.000 2.559 383 L HA 0.010 4.350 4.340 0.000 0.000 0.282 383 L C 1.130 178.016 176.870 0.026 0.000 1.232 383 L CA 0.536 55.397 54.840 0.034 0.000 0.885 383 L CB 0.800 42.880 42.059 0.034 0.000 1.131 383 L HN 0.865 nan 8.230 nan 0.000 0.498 384 S N 0.000 115.712 115.700 0.020 0.000 2.498 384 S HA 0.000 4.470 4.470 0.000 0.000 0.327 384 S CA 0.000 58.209 58.200 0.014 0.000 1.107 384 S CB 0.000 63.205 63.200 0.008 0.000 0.593 384 S HN 0.000 nan 8.310 nan 0.000 0.517