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 2vsn_1_A DATA FIRST_RESID 22 DATA SEQUENCE AWLMLADAEL GXXXXXDTTA GEMAVQRXXX XXXXXPEAVA RLGRVRWTQQ DATA SEQUENCE RHAEAAVLLQ QASDAAPEHP GIALWLGHAL EDAGQAEAAA AAYTRAHQLL DATA SEQUENCE PEEPYITAQL LNWRRRLCDW RALDVLSAQV RAAVAQGVGA VEPFAFLSED DATA SEQUENCE ASAAEQLACA RTRAQAIAAS VRPLAPTRVR SKGPLRVGFV SNGFGAHPTG DATA SEQUENCE LLTVALFEAL QRRQPDLQMH LFATSGDDGS TLRTRLAQAS TLHDVTALGH DATA SEQUENCE LATAKHIRHH GIDLLFDLAG WGGGGRPEVF ALRPAPVQVN WLAYPGTSGA DATA SEQUENCE PWMDYVLGDA FALPPALEPF YSEHVLRLQG AFQPSDTSRV VAEPPSRTQC DATA SEQUENCE GLPEQGVVLC CFNNSYKLNP QSMARMLAVL REVPDSVLWL LSGPGEADAR DATA SEQUENCE LRAFAHAQGV DAQRLVFMPK LPHPQYLARY RHADLFLDTH PYNAHTTASD DATA SEQUENCE ALWTGCPVLT TPGETFAARV AGSLNHHLGL DEMNVADDAA FVAKAVALAS DATA SEQUENCE DPAALTALHA RVDVLRRASG VFHMDGFADD FGALLQALAR RHGWLGI 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.849 177.584 0.442 0.000 1.274 22 A CA 0.000 52.187 52.037 0.250 0.000 0.836 22 A CB 0.000 19.093 19.000 0.154 0.000 0.831 23 W N 1.131 122.442 121.300 0.018 0.000 2.538 23 W HA -0.018 4.676 4.660 0.057 0.000 0.254 23 W C 1.567 178.101 176.519 0.024 0.000 1.249 23 W CA 0.651 58.007 57.345 0.018 0.000 1.253 23 W CB -0.166 29.304 29.460 0.016 0.000 1.130 23 W HN 0.409 nan 8.180 nan 0.000 0.618 24 L N 0.239 121.619 121.223 0.261 0.000 1.990 24 L HA -0.328 4.047 4.340 0.057 0.000 0.213 24 L C 2.521 179.470 176.870 0.132 0.000 1.072 24 L CA 2.305 57.245 54.840 0.166 0.000 0.755 24 L CB -1.313 40.824 42.059 0.130 0.000 0.889 24 L HN 0.001 nan 8.230 nan 0.000 0.432 25 M N -1.242 118.428 119.600 0.117 0.000 2.252 25 M HA -0.228 4.286 4.480 0.057 0.000 0.257 25 M C 2.024 178.365 176.300 0.067 0.000 1.077 25 M CA 1.904 57.254 55.300 0.084 0.000 1.066 25 M CB -1.275 31.366 32.600 0.067 0.000 1.380 25 M HN 0.246 nan 8.290 nan 0.000 0.412 26 L N 1.080 122.341 121.223 0.064 0.000 1.988 26 L HA 0.068 4.443 4.340 0.057 0.000 0.207 26 L C 2.643 179.543 176.870 0.050 0.000 1.071 26 L CA 2.231 57.092 54.840 0.036 0.000 0.744 26 L CB -1.450 40.617 42.059 0.014 0.000 0.893 26 L HN 0.311 nan 8.230 nan 0.000 0.433 27 A N -0.134 122.729 122.820 0.071 0.000 1.896 27 A HA -0.363 3.991 4.320 0.057 0.000 0.220 27 A C 1.904 179.529 177.584 0.068 0.000 1.206 27 A CA 2.526 54.604 52.037 0.069 0.000 0.647 27 A CB -1.482 17.568 19.000 0.084 0.000 0.828 27 A HN 0.657 nan 8.150 nan 0.000 0.455 28 D N -0.073 120.379 120.400 0.087 0.000 2.103 28 D HA -0.097 4.578 4.640 0.057 0.000 0.190 28 D C 2.218 178.564 176.300 0.077 0.000 0.997 28 D CA 2.009 56.069 54.000 0.100 0.000 0.833 28 D CB -0.442 40.429 40.800 0.119 0.000 0.961 28 D HN 0.499 nan 8.370 nan 0.000 0.447 29 A N 0.493 123.349 122.820 0.060 0.000 1.997 29 A HA -0.292 4.062 4.320 0.057 0.000 0.221 29 A C 2.038 179.645 177.584 0.039 0.000 1.172 29 A CA 1.907 53.971 52.037 0.045 0.000 0.645 29 A CB -0.696 18.323 19.000 0.032 0.000 0.813 29 A HN 0.126 nan 8.150 nan 0.000 0.454 30 E N -0.541 119.681 120.200 0.036 0.000 2.160 30 E HA -0.162 4.223 4.350 0.057 0.000 0.195 30 E C 1.666 178.284 176.600 0.030 0.000 0.991 30 E CA 0.853 57.269 56.400 0.027 0.000 0.810 30 E CB -0.360 29.355 29.700 0.024 0.000 0.742 30 E HN 0.526 nan 8.360 nan 0.000 0.466 31 L N -0.477 120.770 121.223 0.041 0.000 2.189 31 L HA -0.082 4.292 4.340 0.057 0.000 0.214 31 L C 1.448 178.344 176.870 0.045 0.000 1.097 31 L CA 1.668 56.536 54.840 0.046 0.000 0.764 31 L CB -1.051 41.046 42.059 0.063 0.000 0.900 31 L HN 0.080 nan 8.230 nan 0.000 0.436 39 T N 1.610 116.161 114.554 -0.006 0.000 2.720 39 T HA -0.107 4.277 4.350 0.057 0.000 0.268 39 T C 1.508 176.202 174.700 -0.010 0.000 1.037 39 T CA 2.302 64.395 62.100 -0.012 0.000 1.144 39 T CB 0.221 69.074 68.868 -0.025 0.000 0.864 39 T HN 0.453 nan 8.240 nan 0.000 0.444 40 T N 0.656 115.205 114.554 -0.009 0.000 3.057 40 T HA 0.381 4.765 4.350 0.057 0.000 0.254 40 T C 2.125 176.827 174.700 0.003 0.000 1.094 40 T CA 0.604 62.701 62.100 -0.005 0.000 1.088 40 T CB -0.107 68.756 68.868 -0.008 0.000 0.934 40 T HN 0.360 nan 8.240 nan 0.000 0.497 41 A N 1.394 124.217 122.820 0.004 0.000 2.016 41 A HA 0.313 4.668 4.320 0.057 0.000 0.217 41 A C 2.454 180.048 177.584 0.017 0.000 1.162 41 A CA 1.360 53.402 52.037 0.009 0.000 0.662 41 A CB -1.033 17.971 19.000 0.005 0.000 0.812 41 A HN 0.470 nan 8.150 nan 0.000 0.450 42 G N -0.186 108.624 108.800 0.017 0.000 2.414 42 G HA2 -0.236 3.759 3.960 0.057 0.000 0.215 42 G HA3 -0.236 3.759 3.960 0.057 0.000 0.215 42 G C 1.440 176.358 174.900 0.030 0.000 1.188 42 G CA 0.989 46.104 45.100 0.026 0.000 0.783 42 G HN 0.643 nan 8.290 nan 0.000 0.537 43 E N -0.500 119.711 120.200 0.019 0.000 2.118 43 E HA -0.173 4.211 4.350 0.057 0.000 0.195 43 E C 2.413 179.031 176.600 0.030 0.000 0.992 43 E CA 0.852 57.264 56.400 0.019 0.000 0.804 43 E CB -0.167 29.537 29.700 0.006 0.000 0.741 43 E HN 0.246 nan 8.360 nan 0.000 0.458 44 M N 0.605 120.223 119.600 0.031 0.000 2.108 44 M HA -0.156 4.359 4.480 0.057 0.000 0.261 44 M C 2.298 178.637 176.300 0.065 0.000 1.066 44 M CA 1.764 57.089 55.300 0.040 0.000 1.107 44 M CB -0.984 31.636 32.600 0.033 0.000 1.356 44 M HN 0.297 nan 8.290 nan 0.000 0.406 45 A N -0.512 122.350 122.820 0.070 0.000 1.855 45 A HA -0.101 4.254 4.320 0.057 0.000 0.215 45 A C 2.050 179.705 177.584 0.118 0.000 1.191 45 A CA 1.821 53.923 52.037 0.108 0.000 0.613 45 A CB -1.106 17.948 19.000 0.091 0.000 0.829 45 A HN 0.340 nan 8.150 nan 0.000 0.442 46 V N 1.057 121.022 119.914 0.084 0.000 2.944 46 V HA -0.182 3.972 4.120 0.057 0.000 0.265 46 V C 0.516 176.645 176.094 0.058 0.000 1.125 46 V CA 0.916 63.260 62.300 0.073 0.000 1.145 46 V CB -1.291 30.564 31.823 0.052 0.000 0.725 46 V HN 0.517 nan 8.190 nan 0.000 0.510 47 Q N 1.470 121.307 119.800 0.061 0.000 2.325 47 Q HA 0.546 4.920 4.340 0.057 0.000 0.256 47 Q C 0.390 176.411 176.000 0.035 0.000 1.142 47 Q CA 0.749 56.578 55.803 0.043 0.000 0.902 47 Q CB 0.158 28.924 28.738 0.047 0.000 1.350 47 Q HN 0.743 nan 8.270 nan 0.000 0.449 58 E N -0.369 119.843 120.200 0.019 0.000 2.403 58 E HA 0.304 4.688 4.350 0.057 0.000 0.188 58 E C 0.602 177.238 176.600 0.060 0.000 1.056 58 E CA 0.432 56.846 56.400 0.023 0.000 0.892 58 E CB 0.427 30.155 29.700 0.046 0.000 1.049 58 E HN 0.456 nan 8.360 nan 0.000 0.465 59 A N -0.045 122.801 122.820 0.045 0.000 1.970 59 A HA 0.044 4.398 4.320 0.057 0.000 0.204 59 A C 2.236 179.846 177.584 0.043 0.000 1.325 59 A CA 0.041 52.108 52.037 0.051 0.000 0.767 59 A CB -0.173 18.846 19.000 0.031 0.000 0.949 59 A HN 0.097 nan 8.150 nan 0.000 0.481 60 V N 0.789 120.719 119.914 0.027 0.000 2.282 60 V HA -0.336 3.819 4.120 0.057 0.000 0.249 60 V C 3.072 179.186 176.094 0.034 0.000 1.057 60 V CA 2.295 64.608 62.300 0.021 0.000 1.032 60 V CB -1.251 30.578 31.823 0.009 0.000 0.645 60 V HN 0.590 nan 8.190 nan 0.000 0.447 61 A N -0.133 122.717 122.820 0.051 0.000 1.883 61 A HA -0.270 4.084 4.320 0.057 0.000 0.217 61 A C 2.342 180.011 177.584 0.142 0.000 1.186 61 A CA 2.187 54.288 52.037 0.108 0.000 0.624 61 A CB -0.521 18.551 19.000 0.119 0.000 0.822 61 A HN 0.550 nan 8.150 nan 0.000 0.444 62 R N -1.197 119.393 120.500 0.150 0.000 2.075 62 R HA -0.065 4.310 4.340 0.057 0.000 0.232 62 R C 2.129 178.427 176.300 -0.002 0.000 1.126 62 R CA 1.332 57.492 56.100 0.099 0.000 0.963 62 R CB -0.553 29.829 30.300 0.137 0.000 0.858 62 R HN 0.490 nan 8.270 nan 0.000 0.435 63 L N 0.546 121.780 121.223 0.019 0.000 2.046 63 L HA -0.040 4.335 4.340 0.057 0.000 0.208 63 L C 2.137 179.000 176.870 -0.013 0.000 1.077 63 L CA 2.163 57.006 54.840 0.004 0.000 0.747 63 L CB -0.961 41.106 42.059 0.013 0.000 0.896 63 L HN 0.208 nan 8.230 nan 0.000 0.432 64 G N -0.947 107.847 108.800 -0.010 0.000 2.440 64 G HA2 -0.366 3.629 3.960 0.057 0.000 0.218 64 G HA3 -0.366 3.629 3.960 0.057 0.000 0.218 64 G C 1.751 176.620 174.900 -0.051 0.000 1.154 64 G CA 0.890 45.982 45.100 -0.013 0.000 0.767 64 G HN 0.361 nan 8.290 nan 0.000 0.552 65 R N 0.183 120.576 120.500 -0.180 0.000 2.148 65 R HA 0.052 4.426 4.340 0.057 0.000 0.227 65 R C 2.563 178.794 176.300 -0.115 0.000 1.103 65 R CA 1.087 56.974 56.100 -0.356 0.000 0.983 65 R CB -0.692 29.015 30.300 -0.989 0.000 0.874 65 R HN 0.258 nan 8.270 nan 0.000 0.451 66 V N 0.993 120.860 119.914 -0.079 0.000 2.261 66 V HA -0.235 3.919 4.120 0.057 0.000 0.246 66 V C 2.360 178.443 176.094 -0.018 0.000 1.047 66 V CA 1.872 64.151 62.300 -0.035 0.000 1.015 66 V CB -0.500 31.309 31.823 -0.024 0.000 0.642 66 V HN 0.250 nan 8.190 nan 0.000 0.446 67 R N -0.976 119.518 120.500 -0.009 0.000 2.091 67 R HA -0.234 4.141 4.340 0.057 0.000 0.238 67 R C 1.965 178.244 176.300 -0.035 0.000 1.136 67 R CA 1.914 58.000 56.100 -0.023 0.000 0.959 67 R CB -1.202 29.096 30.300 -0.003 0.000 0.856 67 R HN 0.728 nan 8.270 nan 0.000 0.437 68 W N 1.911 123.124 121.300 -0.146 0.000 2.350 68 W HA -0.174 4.519 4.660 0.056 0.000 0.289 68 W C 1.667 178.098 176.519 -0.146 0.000 1.215 68 W CA 1.906 59.176 57.345 -0.125 0.000 1.236 68 W CB -0.208 29.209 29.460 -0.073 0.000 1.130 68 W HN 0.004 nan 8.180 nan 0.000 0.541 69 T N 0.299 114.798 114.554 -0.092 0.000 2.904 69 T HA -0.176 4.208 4.350 0.057 0.000 0.267 69 T C 1.261 175.792 174.700 -0.282 0.000 1.059 69 T CA 1.381 63.341 62.100 -0.232 0.000 1.137 69 T CB -0.239 68.594 68.868 -0.058 0.000 0.879 69 T HN 0.264 nan 8.240 nan 0.000 0.467 70 Q N 1.049 120.715 119.800 -0.223 0.000 2.253 70 Q HA 0.124 4.498 4.340 0.057 0.000 0.210 70 Q C 0.282 176.104 176.000 -0.296 0.000 0.907 70 Q CA -0.154 55.526 55.803 -0.205 0.000 0.948 70 Q CB 0.134 28.794 28.738 -0.130 0.000 1.033 70 Q HN 0.258 nan 8.270 nan 0.000 0.471 71 Q N -0.980 118.523 119.800 -0.496 0.000 2.243 71 Q HA -0.254 4.121 4.340 0.057 0.000 0.208 71 Q C -0.192 175.389 176.000 -0.699 0.000 0.722 71 Q CA 1.309 56.677 55.803 -0.726 0.000 1.420 71 Q CB -1.361 27.168 28.738 -0.349 0.000 1.787 71 Q HN 0.531 nan 8.270 nan 0.000 0.653 72 R N 1.087 121.332 120.500 -0.425 0.000 4.779 72 R HA 0.073 4.448 4.340 0.057 0.000 0.217 72 R C 1.167 177.379 176.300 -0.146 0.000 1.934 72 R CA -0.246 55.724 56.100 -0.216 0.000 1.623 72 R CB -0.054 30.175 30.300 -0.117 0.000 1.364 72 R HN 0.312 nan 8.270 nan 0.000 0.799 73 H N 1.100 120.178 119.070 0.013 0.000 2.325 73 H HA -0.246 4.345 4.556 0.058 0.000 0.293 73 H C 2.107 177.481 175.328 0.076 0.000 1.106 73 H CA 1.916 58.013 56.048 0.083 0.000 1.247 73 H CB -0.160 29.650 29.762 0.079 0.000 1.359 73 H HN 0.482 nan 8.280 nan 0.000 0.488 74 A N 1.256 124.170 122.820 0.157 0.000 1.859 74 A HA -0.263 4.091 4.320 0.057 0.000 0.217 74 A C 2.422 180.050 177.584 0.073 0.000 1.198 74 A CA 2.239 54.335 52.037 0.099 0.000 0.629 74 A CB -0.611 18.428 19.000 0.066 0.000 0.830 74 A HN 0.524 nan 8.150 nan 0.000 0.446 75 E N -0.412 119.818 120.200 0.050 0.000 2.031 75 E HA -0.057 4.327 4.350 0.057 0.000 0.193 75 E C 2.337 178.964 176.600 0.046 0.000 0.994 75 E CA 1.085 57.506 56.400 0.035 0.000 0.800 75 E CB -0.387 29.322 29.700 0.014 0.000 0.752 75 E HN 0.604 nan 8.360 nan 0.000 0.447 76 A N 1.374 124.234 122.820 0.067 0.000 1.958 76 A HA -0.249 4.105 4.320 0.057 0.000 0.221 76 A C 2.364 179.992 177.584 0.072 0.000 1.178 76 A CA 2.019 54.107 52.037 0.085 0.000 0.642 76 A CB -0.805 18.301 19.000 0.177 0.000 0.816 76 A HN 0.316 nan 8.150 nan 0.000 0.453 77 A N -1.053 121.819 122.820 0.086 0.000 1.929 77 A HA 0.102 4.457 4.320 0.057 0.000 0.216 77 A C 2.214 179.816 177.584 0.029 0.000 1.176 77 A CA 1.497 53.566 52.037 0.053 0.000 0.628 77 A CB -0.730 18.309 19.000 0.064 0.000 0.816 77 A HN 0.367 nan 8.150 nan 0.000 0.444 78 V N 0.136 120.069 119.914 0.032 0.000 2.358 78 V HA -0.231 3.923 4.120 0.057 0.000 0.246 78 V C 2.561 178.663 176.094 0.013 0.000 1.047 78 V CA 1.876 64.188 62.300 0.020 0.000 1.035 78 V CB -0.596 31.240 31.823 0.020 0.000 0.658 78 V HN 0.569 nan 8.190 nan 0.000 0.452 79 L N -0.921 120.312 121.223 0.016 0.000 1.988 79 L HA -0.179 4.196 4.340 0.057 0.000 0.207 79 L C 2.371 179.246 176.870 0.008 0.000 1.071 79 L CA 1.645 56.492 54.840 0.012 0.000 0.744 79 L CB -0.540 41.526 42.059 0.013 0.000 0.893 79 L HN 0.272 nan 8.230 nan 0.000 0.433 80 L N -0.501 120.727 121.223 0.008 0.000 2.191 80 L HA -0.220 4.154 4.340 0.057 0.000 0.212 80 L C 2.612 179.474 176.870 -0.012 0.000 1.103 80 L CA 0.724 55.565 54.840 0.002 0.000 0.769 80 L CB -0.387 41.670 42.059 -0.003 0.000 0.908 80 L HN 0.327 nan 8.230 nan 0.000 0.438 81 Q N 0.182 119.977 119.800 -0.010 0.000 2.167 81 Q HA -0.234 4.140 4.340 0.057 0.000 0.202 81 Q C 2.082 178.076 176.000 -0.011 0.000 0.970 81 Q CA 1.613 57.408 55.803 -0.014 0.000 0.855 81 Q CB -0.075 28.660 28.738 -0.006 0.000 0.911 81 Q HN 0.473 nan 8.270 nan 0.000 0.438 82 Q N -0.980 118.817 119.800 -0.006 0.000 1.994 82 Q HA -0.065 4.310 4.340 0.057 0.000 0.198 82 Q C 1.898 177.892 176.000 -0.009 0.000 0.976 82 Q CA 1.366 57.166 55.803 -0.005 0.000 0.828 82 Q CB -0.344 28.393 28.738 -0.001 0.000 0.894 82 Q HN 0.483 nan 8.270 nan 0.000 0.432 83 A N 0.097 122.910 122.820 -0.011 0.000 2.024 83 A HA -0.198 4.156 4.320 0.057 0.000 0.220 83 A C 2.104 179.666 177.584 -0.037 0.000 1.164 83 A CA 1.869 53.892 52.037 -0.022 0.000 0.643 83 A CB -0.764 18.223 19.000 -0.022 0.000 0.806 83 A HN 0.453 nan 8.150 nan 0.000 0.451 84 S N -0.466 115.214 115.700 -0.034 0.000 2.414 84 S HA -0.114 4.390 4.470 0.057 0.000 0.227 84 S C 1.403 175.992 174.600 -0.018 0.000 1.022 84 S CA 1.302 59.481 58.200 -0.035 0.000 0.958 84 S CB -0.385 62.791 63.200 -0.038 0.000 0.797 84 S HN 0.570 nan 8.310 nan 0.000 0.493 85 D N 1.580 121.972 120.400 -0.013 0.000 2.194 85 D HA 0.143 4.818 4.640 0.057 0.000 0.204 85 D C 1.880 178.178 176.300 -0.003 0.000 0.964 85 D CA 1.067 55.063 54.000 -0.006 0.000 0.846 85 D CB -0.447 40.350 40.800 -0.005 0.000 0.962 85 D HN 0.498 nan 8.370 nan 0.000 0.490 86 A N -0.105 122.713 122.820 -0.004 0.000 2.235 86 A HA 0.452 4.806 4.320 0.057 0.000 0.208 86 A C 0.986 178.575 177.584 0.008 0.000 1.172 86 A CA 0.782 52.819 52.037 0.000 0.000 0.786 86 A CB 0.151 19.149 19.000 -0.002 0.000 0.804 86 A HN 0.132 nan 8.150 nan 0.000 0.479 87 A N -0.098 122.728 122.820 0.010 0.000 3.068 87 A HA 0.520 4.874 4.320 0.057 0.000 0.269 87 A C -2.398 175.206 177.584 0.032 0.000 1.259 87 A CA -0.381 51.676 52.037 0.034 0.000 0.938 87 A CB 0.356 19.393 19.000 0.061 0.000 1.433 87 A HN 0.069 nan 8.150 nan 0.000 0.664 88 P HA 0.084 nan 4.420 nan 0.000 0.252 88 P C -0.023 177.289 177.300 0.020 0.000 1.265 88 P CA 0.852 63.960 63.100 0.013 0.000 0.775 88 P CB 0.033 31.736 31.700 0.006 0.000 1.128 89 E N -0.524 119.698 120.200 0.037 0.000 4.170 89 E HA 0.111 4.495 4.350 0.057 0.000 0.199 89 E C -0.696 175.932 176.600 0.048 0.000 1.080 89 E CA -0.239 56.177 56.400 0.027 0.000 1.446 89 E CB 0.124 29.827 29.700 0.005 0.000 1.170 89 E HN 0.120 nan 8.360 nan 0.000 0.429 90 H N 1.166 120.208 119.070 -0.047 0.000 2.991 90 H HA 0.215 4.805 4.556 0.057 0.000 0.304 90 H C -2.162 173.116 175.328 -0.084 0.000 1.040 90 H CA -2.449 53.560 56.048 -0.065 0.000 1.410 90 H CB 1.369 31.091 29.762 -0.066 0.000 1.529 90 H HN 0.025 nan 8.280 nan 0.000 0.509 91 P HA -0.066 nan 4.420 nan 0.000 0.220 91 P C 1.417 178.738 177.300 0.035 0.000 1.148 91 P CA 1.318 64.460 63.100 0.069 0.000 0.803 91 P CB 0.106 31.811 31.700 0.009 0.000 0.782 92 G N 0.337 109.225 108.800 0.146 0.000 2.418 92 G HA2 -0.230 3.765 3.960 0.057 0.000 0.217 92 G HA3 -0.230 3.765 3.960 0.057 0.000 0.217 92 G C 1.487 176.122 174.900 -0.442 0.000 1.158 92 G CA 0.540 45.521 45.100 -0.198 0.000 0.771 92 G HN 0.186 nan 8.290 nan 0.000 0.545 93 I N 1.594 121.932 120.570 -0.387 0.000 2.286 93 I HA 0.064 4.268 4.170 0.057 0.000 0.245 93 I C 3.113 179.148 176.117 -0.137 0.000 1.104 93 I CA 0.959 62.078 61.300 -0.300 0.000 1.397 93 I CB -0.412 37.352 38.000 -0.395 0.000 1.072 93 I HN 0.201 nan 8.210 nan 0.000 0.417 94 A N -0.133 122.623 122.820 -0.106 0.000 1.933 94 A HA -0.195 4.160 4.320 0.057 0.000 0.218 94 A C 2.246 179.737 177.584 -0.154 0.000 1.175 94 A CA 1.657 53.635 52.037 -0.098 0.000 0.628 94 A CB -0.915 18.056 19.000 -0.048 0.000 0.814 94 A HN 0.385 nan 8.150 nan 0.000 0.444 95 L N -1.556 119.578 121.223 -0.149 0.000 2.005 95 L HA -0.083 4.292 4.340 0.057 0.000 0.207 95 L C 2.195 178.863 176.870 -0.336 0.000 1.072 95 L CA 1.772 56.495 54.840 -0.196 0.000 0.744 95 L CB -0.770 41.208 42.059 -0.135 0.000 0.895 95 L HN 0.549 nan 8.230 nan 0.000 0.433 96 W N -0.283 120.752 121.300 -0.442 0.000 2.342 96 W HA -0.194 4.500 4.660 0.057 0.000 0.297 96 W C 2.522 178.789 176.519 -0.419 0.000 1.213 96 W CA 1.225 58.279 57.345 -0.483 0.000 1.251 96 W CB -0.867 28.407 29.460 -0.309 0.000 1.136 96 W HN 0.233 nan 8.180 nan 0.000 0.526 97 L N 0.217 121.383 121.223 -0.096 0.000 2.156 97 L HA -0.002 4.372 4.340 0.057 0.000 0.208 97 L C 2.016 178.746 176.870 -0.232 0.000 1.095 97 L CA 2.358 57.119 54.840 -0.132 0.000 0.770 97 L CB -1.573 40.422 42.059 -0.105 0.000 0.914 97 L HN 0.053 nan 8.230 nan 0.000 0.439 98 G N -0.948 107.612 108.800 -0.399 0.000 2.421 98 G HA2 -0.287 3.708 3.960 0.057 0.000 0.216 98 G HA3 -0.287 3.708 3.960 0.057 0.000 0.216 98 G C 1.286 175.937 174.900 -0.414 0.000 1.171 98 G CA 0.702 45.370 45.100 -0.721 0.000 0.775 98 G HN 0.469 nan 8.290 nan 0.000 0.543 99 H N 1.126 120.012 119.070 -0.306 0.000 2.319 99 H HA 0.007 4.597 4.556 0.057 0.000 0.299 99 H C 2.907 178.152 175.328 -0.138 0.000 1.092 99 H CA 1.163 57.091 56.048 -0.200 0.000 1.302 99 H CB -0.874 28.589 29.762 -0.499 0.000 1.373 99 H HN 0.364 nan 8.280 nan 0.000 0.497 100 A N 0.848 123.623 122.820 -0.076 0.000 1.883 100 A HA -0.131 4.223 4.320 0.057 0.000 0.217 100 A C 2.708 180.354 177.584 0.103 0.000 1.186 100 A CA 1.507 53.631 52.037 0.146 0.000 0.624 100 A CB -0.995 18.053 19.000 0.079 0.000 0.822 100 A HN 0.329 nan 8.150 nan 0.000 0.444 101 L N -0.711 120.504 121.223 -0.014 0.000 2.079 101 L HA -0.235 4.140 4.340 0.057 0.000 0.210 101 L C 2.706 179.567 176.870 -0.015 0.000 1.081 101 L CA 1.925 56.753 54.840 -0.020 0.000 0.752 101 L CB -0.469 41.544 42.059 -0.078 0.000 0.896 101 L HN 0.687 nan 8.230 nan 0.000 0.433 102 E N 0.488 120.642 120.200 -0.076 0.000 2.017 102 E HA -0.257 4.127 4.350 0.057 0.000 0.193 102 E C 1.248 177.820 176.600 -0.047 0.000 0.997 102 E CA 1.730 58.063 56.400 -0.110 0.000 0.804 102 E CB 0.015 29.506 29.700 -0.350 0.000 0.757 102 E HN 0.375 nan 8.360 nan 0.000 0.448 103 D N -0.327 120.026 120.400 -0.079 0.000 2.392 103 D HA -0.022 4.653 4.640 0.057 0.000 0.228 103 D C 0.471 176.571 176.300 -0.333 0.000 1.003 103 D CA 0.827 54.630 54.000 -0.328 0.000 0.917 103 D CB 0.361 40.777 40.800 -0.640 0.000 0.890 103 D HN 0.269 nan 8.370 nan 0.000 0.532 104 A N -0.896 121.893 122.820 -0.052 0.000 2.503 104 A HA 0.550 4.904 4.320 0.057 0.000 0.263 104 A C 1.728 179.344 177.584 0.054 0.000 1.258 104 A CA 0.363 52.430 52.037 0.050 0.000 0.936 104 A CB 0.023 19.086 19.000 0.104 0.000 1.070 104 A HN 0.130 nan 8.150 nan 0.000 0.522 105 G N -0.655 108.177 108.800 0.053 0.000 2.189 105 G HA2 -0.306 3.688 3.960 0.057 0.000 0.267 105 G HA3 -0.306 3.688 3.960 0.057 0.000 0.267 105 G C 0.328 175.292 174.900 0.107 0.000 0.975 105 G CA 0.599 45.752 45.100 0.089 0.000 0.644 105 G HN 0.582 nan 8.290 nan 0.000 0.537 106 Q N 0.382 120.240 119.800 0.096 0.000 2.835 106 Q HA 0.628 5.002 4.340 0.057 0.000 0.235 106 Q C 1.843 177.935 176.000 0.154 0.000 1.313 106 Q CA 0.196 56.057 55.803 0.097 0.000 1.053 106 Q CB 0.297 29.072 28.738 0.061 0.000 1.443 106 Q HN 0.557 nan 8.270 nan 0.000 0.576 107 A N 1.960 124.922 122.820 0.237 0.000 1.851 107 A HA -0.244 4.110 4.320 0.057 0.000 0.216 107 A C 1.849 179.679 177.584 0.409 0.000 1.195 107 A CA 1.708 54.011 52.037 0.444 0.000 0.622 107 A CB -0.179 19.046 19.000 0.375 0.000 0.831 107 A HN 0.596 nan 8.150 nan 0.000 0.444 108 E N 0.015 120.343 120.200 0.214 0.000 2.058 108 E HA -0.114 4.270 4.350 0.057 0.000 0.194 108 E C 2.125 178.809 176.600 0.141 0.000 0.997 108 E CA 1.750 58.241 56.400 0.153 0.000 0.801 108 E CB -0.539 29.205 29.700 0.073 0.000 0.746 108 E HN 0.484 nan 8.360 nan 0.000 0.450 109 A N 0.655 123.534 122.820 0.098 0.000 1.877 109 A HA -0.073 4.281 4.320 0.057 0.000 0.216 109 A C 2.438 180.036 177.584 0.023 0.000 1.186 109 A CA 2.192 54.259 52.037 0.050 0.000 0.620 109 A CB -1.066 17.950 19.000 0.027 0.000 0.822 109 A HN 0.358 nan 8.150 nan 0.000 0.443 110 A N -0.143 122.694 122.820 0.029 0.000 1.986 110 A HA 0.081 4.436 4.320 0.057 0.000 0.220 110 A C 2.432 179.953 177.584 -0.105 0.000 1.171 110 A CA 2.213 54.173 52.037 -0.127 0.000 0.640 110 A CB -0.942 17.982 19.000 -0.128 0.000 0.811 110 A HN 1.044 nan 8.150 nan 0.000 0.451 111 A N 0.027 122.975 122.820 0.214 0.000 1.835 111 A HA 0.131 4.485 4.320 0.057 0.000 0.215 111 A C 2.570 180.263 177.584 0.183 0.000 1.199 111 A CA 2.335 54.594 52.037 0.371 0.000 0.615 111 A CB -1.347 17.874 19.000 0.368 0.000 0.838 111 A HN 1.247 nan 8.150 nan 0.000 0.444 112 A N -0.234 122.647 122.820 0.101 0.000 1.958 112 A HA -0.000 4.354 4.320 0.057 0.000 0.221 112 A C 2.475 180.065 177.584 0.009 0.000 1.178 112 A CA 2.595 54.667 52.037 0.058 0.000 0.642 112 A CB -1.096 17.924 19.000 0.034 0.000 0.816 112 A HN 1.214 nan 8.150 nan 0.000 0.453 113 A N -1.282 121.483 122.820 -0.091 0.000 1.877 113 A HA -0.109 4.245 4.320 0.057 0.000 0.216 113 A C 2.108 179.598 177.584 -0.157 0.000 1.186 113 A CA 1.599 53.517 52.037 -0.198 0.000 0.620 113 A CB -0.835 17.928 19.000 -0.395 0.000 0.822 113 A HN 0.666 nan 8.150 nan 0.000 0.443 114 Y N 0.487 120.788 120.300 0.002 0.000 2.263 114 Y HA -0.147 4.437 4.550 0.057 0.000 0.292 114 Y C 3.078 179.012 175.900 0.056 0.000 1.130 114 Y CA 1.393 59.497 58.100 0.006 0.000 1.179 114 Y CB -0.576 37.883 38.460 -0.001 0.000 0.998 114 Y HN 0.489 nan 8.280 nan 0.000 0.532 115 T N -1.084 113.605 114.554 0.226 0.000 3.007 115 T HA -0.183 4.201 4.350 0.057 0.000 0.270 115 T C 1.730 176.533 174.700 0.171 0.000 1.107 115 T CA 1.239 63.458 62.100 0.198 0.000 1.118 115 T CB -0.194 68.769 68.868 0.158 0.000 0.889 115 T HN 0.336 nan 8.240 nan 0.000 0.506 116 R N 0.805 121.374 120.500 0.115 0.000 2.105 116 R HA 0.417 4.791 4.340 0.057 0.000 0.214 116 R C 2.576 178.923 176.300 0.078 0.000 1.091 116 R CA 0.838 56.982 56.100 0.072 0.000 1.007 116 R CB -0.677 29.640 30.300 0.028 0.000 0.912 116 R HN 0.355 nan 8.270 nan 0.000 0.450 117 A N -0.096 122.778 122.820 0.089 0.000 2.216 117 A HA -0.151 4.204 4.320 0.057 0.000 0.214 117 A C 1.576 179.246 177.584 0.145 0.000 1.160 117 A CA 1.426 53.515 52.037 0.087 0.000 0.725 117 A CB -0.661 18.386 19.000 0.079 0.000 0.784 117 A HN 0.559 nan 8.150 nan 0.000 0.472 118 H N -0.586 118.516 119.070 0.053 0.000 2.451 118 H HA 0.070 4.661 4.556 0.058 0.000 0.294 118 H C 2.076 177.423 175.328 0.032 0.000 1.028 118 H CA 1.515 57.591 56.048 0.047 0.000 1.349 118 H CB 0.014 29.813 29.762 0.061 0.000 1.444 118 H HN 0.436 nan 8.280 nan 0.000 0.538 119 Q N 0.422 120.205 119.800 -0.028 0.000 2.050 119 Q HA -0.087 4.287 4.340 0.057 0.000 0.202 119 Q C 2.231 178.183 176.000 -0.080 0.000 0.980 119 Q CA 1.395 57.141 55.803 -0.095 0.000 0.840 119 Q CB -0.141 28.584 28.738 -0.022 0.000 0.898 119 Q HN 0.513 nan 8.270 nan 0.000 0.424 120 L N -0.129 121.075 121.223 -0.033 0.000 2.551 120 L HA 0.016 4.391 4.340 0.057 0.000 0.228 120 L C 0.697 177.544 176.870 -0.038 0.000 1.153 120 L CA 0.157 54.978 54.840 -0.032 0.000 0.851 120 L CB 0.061 42.111 42.059 -0.015 0.000 0.959 120 L HN 0.051 nan 8.230 nan 0.000 0.451 121 L N -0.675 120.527 121.223 -0.034 0.000 2.367 121 L HA 0.305 4.680 4.340 0.057 0.000 0.263 121 L C -2.072 174.790 176.870 -0.013 0.000 1.533 121 L CA -0.702 54.127 54.840 -0.017 0.000 0.761 121 L CB 0.800 42.865 42.059 0.010 0.000 0.943 121 L HN -0.227 nan 8.230 nan 0.000 0.526 122 P HA -0.145 nan 4.420 nan 0.000 0.219 122 P C 0.579 177.874 177.300 -0.007 0.000 1.146 122 P CA 1.204 64.204 63.100 -0.166 0.000 0.808 122 P CB 0.370 31.960 31.700 -0.183 0.000 0.779 123 E N -1.288 118.919 120.200 0.012 0.000 2.472 123 E HA 0.036 4.420 4.350 0.057 0.000 0.196 123 E C 0.505 177.139 176.600 0.056 0.000 1.033 123 E CA 0.105 56.526 56.400 0.035 0.000 0.886 123 E CB -0.787 28.921 29.700 0.012 0.000 0.944 123 E HN 0.107 nan 8.360 nan 0.000 0.492 124 E N 2.173 122.418 120.200 0.074 0.000 2.166 124 E HA 0.128 4.512 4.350 0.057 0.000 0.279 124 E C -1.850 174.820 176.600 0.117 0.000 1.095 124 E CA -2.712 53.743 56.400 0.091 0.000 0.888 124 E CB 0.983 30.743 29.700 0.099 0.000 1.041 124 E HN -0.092 nan 8.360 nan 0.000 0.414 125 P HA -0.105 nan 4.420 nan 0.000 0.219 125 P C 0.826 178.173 177.300 0.078 0.000 1.150 125 P CA 0.647 63.792 63.100 0.075 0.000 0.814 125 P CB -0.090 31.640 31.700 0.050 0.000 0.787 126 Y N 0.811 121.114 120.300 0.004 0.000 2.165 126 Y HA -0.202 4.383 4.550 0.058 0.000 0.286 126 Y C 1.972 177.878 175.900 0.011 0.000 1.155 126 Y CA 1.520 59.622 58.100 0.004 0.000 1.164 126 Y CB -0.976 37.493 38.460 0.015 0.000 0.978 126 Y HN -0.170 nan 8.280 nan 0.000 0.513 127 I N -0.954 119.616 120.570 0.001 0.000 2.353 127 I HA -0.267 3.937 4.170 0.057 0.000 0.248 127 I C 2.183 178.226 176.117 -0.123 0.000 1.119 127 I CA 1.585 62.849 61.300 -0.061 0.000 1.417 127 I CB -0.628 37.438 38.000 0.110 0.000 1.078 127 I HN 0.169 nan 8.210 nan 0.000 0.421 128 T N 0.957 115.465 114.554 -0.076 0.000 2.708 128 T HA -0.163 4.221 4.350 0.057 0.000 0.266 128 T C 2.134 176.728 174.700 -0.177 0.000 1.037 128 T CA 1.422 63.411 62.100 -0.185 0.000 1.146 128 T CB -0.396 68.435 68.868 -0.062 0.000 0.865 128 T HN 0.454 nan 8.240 nan 0.000 0.435 129 A N 1.572 124.305 122.820 -0.145 0.000 1.859 129 A HA -0.264 4.090 4.320 0.057 0.000 0.217 129 A C 2.304 179.776 177.584 -0.187 0.000 1.198 129 A CA 2.061 54.015 52.037 -0.137 0.000 0.629 129 A CB -0.922 17.995 19.000 -0.137 0.000 0.830 129 A HN 0.549 nan 8.150 nan 0.000 0.446 130 Q N -1.234 118.377 119.800 -0.315 0.000 2.084 130 Q HA -0.161 4.214 4.340 0.057 0.000 0.202 130 Q C 2.110 177.888 176.000 -0.371 0.000 0.978 130 Q CA 1.508 57.074 55.803 -0.395 0.000 0.844 130 Q CB -0.346 28.042 28.738 -0.583 0.000 0.898 130 Q HN 0.649 nan 8.270 nan 0.000 0.426 131 L N 0.366 121.412 121.223 -0.295 0.000 2.017 131 L HA -0.178 4.196 4.340 0.057 0.000 0.208 131 L C 2.031 178.871 176.870 -0.050 0.000 1.073 131 L CA 1.523 56.274 54.840 -0.149 0.000 0.745 131 L CB -0.737 41.223 42.059 -0.164 0.000 0.894 131 L HN 0.235 nan 8.230 nan 0.000 0.432 132 L N 0.524 121.698 121.223 -0.082 0.000 2.012 132 L HA -0.271 4.104 4.340 0.057 0.000 0.210 132 L C 2.431 179.315 176.870 0.023 0.000 1.073 132 L CA 2.286 57.113 54.840 -0.021 0.000 0.748 132 L CB -1.347 40.695 42.059 -0.027 0.000 0.891 132 L HN 0.667 nan 8.230 nan 0.000 0.431 133 N N -1.083 117.625 118.700 0.014 0.000 2.104 133 N HA -0.297 4.478 4.740 0.057 0.000 0.190 133 N C 2.036 177.621 175.510 0.124 0.000 1.024 133 N CA 1.726 54.807 53.050 0.051 0.000 0.853 133 N CB -0.471 38.043 38.487 0.045 0.000 1.008 133 N HN 0.649 nan 8.380 nan 0.000 0.424 134 W N 1.768 123.020 121.300 -0.079 0.000 2.436 134 W HA -0.004 4.694 4.660 0.063 0.000 0.284 134 W C 2.052 178.594 176.519 0.039 0.000 1.225 134 W CA 0.321 57.659 57.345 -0.011 0.000 1.271 134 W CB 0.064 29.514 29.460 -0.016 0.000 1.114 134 W HN 0.164 nan 8.180 nan 0.000 0.559 135 R N 0.103 120.663 120.500 0.100 0.000 2.075 135 R HA -0.107 4.267 4.340 0.057 0.000 0.232 135 R C 2.160 178.476 176.300 0.026 0.000 1.126 135 R CA 0.915 57.046 56.100 0.052 0.000 0.963 135 R CB -0.534 29.823 30.300 0.095 0.000 0.858 135 R HN 0.236 nan 8.270 nan 0.000 0.435 136 R N 0.475 121.013 120.500 0.063 0.000 2.073 136 R HA -0.078 4.296 4.340 0.057 0.000 0.234 136 R C 2.305 178.636 176.300 0.052 0.000 1.134 136 R CA 1.239 57.410 56.100 0.119 0.000 0.952 136 R CB -0.292 30.073 30.300 0.107 0.000 0.850 136 R HN 0.216 nan 8.270 nan 0.000 0.433 137 R N 0.474 120.933 120.500 -0.070 0.000 2.159 137 R HA -0.077 4.297 4.340 0.057 0.000 0.237 137 R C 1.852 177.998 176.300 -0.257 0.000 1.131 137 R CA 0.955 56.953 56.100 -0.169 0.000 0.982 137 R CB -0.123 29.906 30.300 -0.451 0.000 0.868 137 R HN 0.245 nan 8.270 nan 0.000 0.453 138 L N -0.869 120.188 121.223 -0.277 0.000 2.640 138 L HA 0.119 4.493 4.340 0.057 0.000 0.230 138 L C 0.330 177.068 176.870 -0.221 0.000 1.123 138 L CA -0.339 54.352 54.840 -0.249 0.000 0.900 138 L CB 0.414 42.327 42.059 -0.243 0.000 1.146 138 L HN 0.239 nan 8.230 nan 0.000 0.484 139 C N 1.177 120.373 119.300 -0.173 0.000 4.454 139 C HA -0.172 4.322 4.460 0.057 0.000 0.298 139 C C 0.619 175.147 174.990 -0.769 0.000 1.384 139 C CA 0.301 59.102 59.018 -0.361 0.000 2.002 139 C CB -2.414 25.090 27.740 -0.393 0.000 1.249 139 C HN 0.569 nan 8.230 nan 0.000 0.783 140 D N -0.083 120.103 120.400 -0.356 0.000 2.428 140 D HA 0.301 4.975 4.640 0.057 0.000 0.221 140 D C 0.402 176.682 176.300 -0.033 0.000 1.123 140 D CA -0.333 53.524 54.000 -0.239 0.000 0.869 140 D CB 0.297 41.053 40.800 -0.073 0.000 1.032 140 D HN 0.540 nan 8.370 nan 0.000 0.506 141 W N 3.921 125.207 121.300 -0.023 0.000 3.269 141 W HA 0.242 4.931 4.660 0.049 0.000 0.413 141 W C 0.367 176.892 176.519 0.010 0.000 1.057 141 W CA -0.768 56.563 57.345 -0.023 0.000 1.953 141 W CB -0.700 28.724 29.460 -0.060 0.000 1.053 141 W HN 0.129 nan 8.180 nan 0.000 0.753 142 R N 1.222 121.831 120.500 0.181 0.000 2.370 142 R HA 0.287 4.661 4.340 0.057 0.000 0.309 142 R C 1.173 177.550 176.300 0.128 0.000 1.059 142 R CA 0.646 56.829 56.100 0.138 0.000 0.981 142 R CB 0.477 30.835 30.300 0.098 0.000 0.972 142 R HN 0.092 nan 8.270 nan 0.000 0.437 143 A N 2.760 125.650 122.820 0.117 0.000 2.832 143 A HA -0.201 4.154 4.320 0.057 0.000 0.280 143 A C 1.104 178.741 177.584 0.088 0.000 1.464 143 A CA 0.720 52.816 52.037 0.098 0.000 0.804 143 A CB -1.566 17.496 19.000 0.103 0.000 1.020 143 A HN 0.739 nan 8.150 nan 0.000 0.563 144 L N 1.089 122.371 121.223 0.098 0.000 1.989 144 L HA -0.198 4.176 4.340 0.057 0.000 0.211 144 L C 2.479 179.364 176.870 0.025 0.000 1.071 144 L CA 3.145 58.025 54.840 0.067 0.000 0.749 144 L CB -0.554 41.539 42.059 0.055 0.000 0.890 144 L HN 0.720 nan 8.230 nan 0.000 0.431 145 D N -1.326 119.084 120.400 0.017 0.000 2.149 145 D HA -0.186 4.488 4.640 0.057 0.000 0.198 145 D C 2.009 178.321 176.300 0.020 0.000 0.990 145 D CA 1.739 55.741 54.000 0.004 0.000 0.839 145 D CB -0.731 40.072 40.800 0.004 0.000 0.948 145 D HN 0.361 nan 8.370 nan 0.000 0.460 146 V N 1.196 121.134 119.914 0.039 0.000 2.379 146 V HA -0.184 3.970 4.120 0.057 0.000 0.245 146 V C 2.838 178.964 176.094 0.053 0.000 1.044 146 V CA 0.959 63.289 62.300 0.050 0.000 1.036 146 V CB -0.549 31.313 31.823 0.066 0.000 0.664 146 V HN 0.153 nan 8.190 nan 0.000 0.453 147 L N -0.121 121.131 121.223 0.048 0.000 2.017 147 L HA -0.163 4.212 4.340 0.057 0.000 0.208 147 L C 2.756 179.640 176.870 0.023 0.000 1.073 147 L CA 1.843 56.699 54.840 0.026 0.000 0.745 147 L CB -0.729 41.329 42.059 -0.002 0.000 0.894 147 L HN 0.368 nan 8.230 nan 0.000 0.432 148 S N -0.293 115.418 115.700 0.019 0.000 2.359 148 S HA -0.247 4.257 4.470 0.057 0.000 0.224 148 S C 2.124 176.747 174.600 0.038 0.000 1.035 148 S CA 1.448 59.658 58.200 0.017 0.000 1.018 148 S CB -0.147 63.041 63.200 -0.020 0.000 0.876 148 S HN 0.451 nan 8.310 nan 0.000 0.448 149 A N 0.720 123.559 122.820 0.031 0.000 1.877 149 A HA -0.152 4.202 4.320 0.057 0.000 0.216 149 A C 2.133 179.746 177.584 0.048 0.000 1.186 149 A CA 1.739 53.798 52.037 0.037 0.000 0.620 149 A CB -0.872 18.145 19.000 0.029 0.000 0.822 149 A HN 0.706 nan 8.150 nan 0.000 0.443 150 Q N -0.570 119.259 119.800 0.048 0.000 2.061 150 Q HA -0.146 4.228 4.340 0.057 0.000 0.204 150 Q C 2.175 178.201 176.000 0.043 0.000 0.984 150 Q CA 1.831 57.663 55.803 0.048 0.000 0.846 150 Q CB -0.395 28.380 28.738 0.061 0.000 0.902 150 Q HN 0.498 nan 8.270 nan 0.000 0.421 151 V N 0.826 120.771 119.914 0.052 0.000 2.343 151 V HA -0.271 3.883 4.120 0.057 0.000 0.247 151 V C 2.160 178.305 176.094 0.086 0.000 1.051 151 V CA 1.881 64.216 62.300 0.057 0.000 1.036 151 V CB -0.482 31.399 31.823 0.096 0.000 0.654 151 V HN 0.302 nan 8.190 nan 0.000 0.451 152 R N 0.211 120.818 120.500 0.180 0.000 2.081 152 R HA -0.096 4.278 4.340 0.057 0.000 0.235 152 R C 2.445 178.795 176.300 0.083 0.000 1.131 152 R CA 1.430 57.674 56.100 0.239 0.000 0.960 152 R CB -0.625 29.799 30.300 0.206 0.000 0.856 152 R HN 0.530 nan 8.270 nan 0.000 0.436 153 A N 1.442 124.293 122.820 0.052 0.000 1.902 153 A HA -0.129 4.226 4.320 0.057 0.000 0.217 153 A C 2.410 179.992 177.584 -0.005 0.000 1.181 153 A CA 1.695 53.746 52.037 0.023 0.000 0.623 153 A CB -0.726 18.289 19.000 0.025 0.000 0.818 153 A HN 0.394 nan 8.150 nan 0.000 0.443 154 A N -0.531 122.281 122.820 -0.014 0.000 1.908 154 A HA -0.052 4.302 4.320 0.057 0.000 0.218 154 A C 2.221 179.752 177.584 -0.088 0.000 1.181 154 A CA 1.900 53.913 52.037 -0.039 0.000 0.627 154 A CB -0.999 17.979 19.000 -0.037 0.000 0.818 154 A HN 0.433 nan 8.150 nan 0.000 0.445 155 V N -0.267 119.557 119.914 -0.150 0.000 2.407 155 V HA -0.255 3.899 4.120 0.057 0.000 0.248 155 V C 3.002 179.013 176.094 -0.138 0.000 1.055 155 V CA 1.945 64.099 62.300 -0.243 0.000 1.049 155 V CB -1.153 30.389 31.823 -0.468 0.000 0.662 155 V HN 0.627 nan 8.190 nan 0.000 0.455 156 A N -0.681 122.096 122.820 -0.071 0.000 1.969 156 A HA -0.189 4.165 4.320 0.057 0.000 0.218 156 A C 2.112 179.675 177.584 -0.034 0.000 1.169 156 A CA 1.269 53.284 52.037 -0.036 0.000 0.635 156 A CB -0.301 18.695 19.000 -0.007 0.000 0.810 156 A HN 0.637 nan 8.150 nan 0.000 0.445 157 Q N -1.412 118.367 119.800 -0.036 0.000 2.451 157 Q HA 0.173 4.548 4.340 0.057 0.000 0.206 157 Q C 1.171 177.148 176.000 -0.038 0.000 0.947 157 Q CA 0.534 56.321 55.803 -0.028 0.000 0.937 157 Q CB 0.053 28.780 28.738 -0.019 0.000 1.025 157 Q HN 0.890 nan 8.270 nan 0.000 0.511 158 G N 1.189 109.954 108.800 -0.059 0.000 2.155 158 G HA2 -0.272 3.723 3.960 0.057 0.000 0.257 158 G HA3 -0.272 3.723 3.960 0.057 0.000 0.257 158 G C 0.135 174.998 174.900 -0.062 0.000 0.983 158 G CA 0.483 45.542 45.100 -0.069 0.000 0.676 158 G HN 0.319 nan 8.290 nan 0.000 0.528 159 V N -1.267 118.615 119.914 -0.052 0.000 3.352 159 V HA 0.835 4.990 4.120 0.057 0.000 0.299 159 V C 1.978 178.052 176.094 -0.033 0.000 1.228 159 V CA 1.494 63.774 62.300 -0.034 0.000 1.017 159 V CB 1.143 32.956 31.823 -0.016 0.000 1.237 159 V HN 2.013 nan 8.190 nan 0.000 0.472 160 G N 0.734 109.538 108.800 0.007 0.000 2.284 160 G HA2 -0.129 3.866 3.960 0.057 0.000 0.261 160 G HA3 -0.129 3.866 3.960 0.057 0.000 0.261 160 G C 1.065 176.011 174.900 0.077 0.000 0.997 160 G CA 0.870 45.997 45.100 0.045 0.000 0.621 160 G HN 2.511 nan 8.290 nan 0.000 0.534 161 A N -1.640 121.186 122.820 0.011 0.000 2.511 161 A HA 0.135 4.489 4.320 0.057 0.000 0.297 161 A C 1.470 179.059 177.584 0.009 0.000 1.476 161 A CA 1.853 53.894 52.037 0.008 0.000 0.757 161 A CB -1.876 17.163 19.000 0.066 0.000 1.072 161 A HN 2.439 nan 8.150 nan 0.000 0.413 162 V N -0.332 119.527 119.914 -0.091 0.000 2.775 162 V HA 0.537 4.691 4.120 0.057 0.000 0.299 162 V C 0.607 176.616 176.094 -0.141 0.000 1.062 162 V CA 0.025 62.253 62.300 -0.119 0.000 1.063 162 V CB 1.413 33.116 31.823 -0.201 0.000 0.994 162 V HN 0.667 nan 8.190 nan 0.000 0.483 163 E N 6.558 126.717 120.200 -0.068 0.000 2.257 163 E HA 0.337 4.721 4.350 0.057 0.000 0.278 163 E C -1.882 174.718 176.600 0.001 0.000 1.049 163 E CA -1.861 54.521 56.400 -0.030 0.000 0.876 163 E CB 1.618 31.361 29.700 0.072 0.000 1.035 163 E HN 0.580 nan 8.360 nan 0.000 0.419 164 P HA -0.184 nan 4.420 nan 0.000 0.216 164 P C 0.836 178.356 177.300 0.366 0.000 1.153 164 P CA 0.943 64.054 63.100 0.018 0.000 0.858 164 P CB 0.026 31.495 31.700 -0.385 0.000 0.789 165 F N 0.385 120.509 119.950 0.290 0.000 2.186 165 F HA -0.057 4.504 4.527 0.056 0.000 0.299 165 F C 2.139 178.053 175.800 0.191 0.000 1.090 165 F CA 1.266 59.481 58.000 0.359 0.000 1.307 165 F CB -0.823 38.367 39.000 0.316 0.000 1.019 165 F HN -0.152 nan 8.300 nan 0.000 0.489 166 A N -0.445 122.427 122.820 0.087 0.000 1.930 166 A HA -0.183 4.171 4.320 0.057 0.000 0.217 166 A C 2.044 179.628 177.584 -0.001 0.000 1.175 166 A CA 1.222 53.233 52.037 -0.043 0.000 0.627 166 A CB -1.512 17.517 19.000 0.048 0.000 0.815 166 A HN 0.438 nan 8.150 nan 0.000 0.443 167 F N 0.661 120.551 119.950 -0.100 0.000 2.451 167 F HA -0.022 4.541 4.527 0.059 0.000 0.299 167 F C 1.691 177.409 175.800 -0.137 0.000 1.101 167 F CA 0.614 58.554 58.000 -0.100 0.000 1.436 167 F CB -0.246 38.709 39.000 -0.075 0.000 1.074 167 F HN 0.130 nan 8.300 nan 0.000 0.553 168 L N -1.182 119.948 121.223 -0.156 0.000 2.353 168 L HA -0.181 4.194 4.340 0.057 0.000 0.220 168 L C 2.094 178.803 176.870 -0.269 0.000 1.133 168 L CA 1.001 55.637 54.840 -0.340 0.000 0.798 168 L CB -0.739 40.971 42.059 -0.581 0.000 0.922 168 L HN -0.024 nan 8.230 nan 0.000 0.445 169 S N -1.364 114.244 115.700 -0.154 0.000 2.558 169 S HA 0.040 4.544 4.470 0.057 0.000 0.217 169 S C 0.643 175.146 174.600 -0.162 0.000 0.975 169 S CA 0.179 58.353 58.200 -0.043 0.000 0.912 169 S CB -0.034 63.177 63.200 0.019 0.000 0.776 169 S HN 0.315 nan 8.310 nan 0.000 0.526 170 E N 1.591 121.606 120.200 -0.308 0.000 2.280 170 E HA 0.191 4.575 4.350 0.057 0.000 0.264 170 E C -0.607 175.756 176.600 -0.395 0.000 1.064 170 E CA -0.457 55.720 56.400 -0.371 0.000 0.900 170 E CB 0.358 29.720 29.700 -0.563 0.000 1.123 170 E HN -0.056 nan 8.360 nan 0.000 0.418 171 D N 0.695 120.914 120.400 -0.302 0.000 2.856 171 D HA 0.209 4.883 4.640 0.057 0.000 0.242 171 D C -0.333 175.816 176.300 -0.252 0.000 1.226 171 D CA 0.024 53.878 54.000 -0.245 0.000 0.855 171 D CB -0.275 40.433 40.800 -0.153 0.000 1.065 171 D HN 0.342 nan 8.370 nan 0.000 0.462 172 A N 0.206 122.793 122.820 -0.388 0.000 2.279 172 A HA 0.537 4.892 4.320 0.057 0.000 0.303 172 A C 0.838 178.267 177.584 -0.259 0.000 1.108 172 A CA -0.549 51.284 52.037 -0.340 0.000 0.830 172 A CB 0.774 19.407 19.000 -0.612 0.000 1.106 172 A HN 0.247 nan 8.150 nan 0.000 0.493 173 S N 0.363 115.949 115.700 -0.189 0.000 2.655 173 S HA 0.508 5.013 4.470 0.057 0.000 0.265 173 S C 1.258 175.675 174.600 -0.304 0.000 1.240 173 S CA -0.044 58.019 58.200 -0.229 0.000 0.986 173 S CB 0.971 64.043 63.200 -0.213 0.000 0.985 173 S HN 1.634 nan 8.310 nan 0.000 0.562 174 A N 0.565 123.088 122.820 -0.496 0.000 2.019 174 A HA 0.182 4.536 4.320 0.057 0.000 0.219 174 A C 2.307 179.506 177.584 -0.642 0.000 1.164 174 A CA 1.656 53.314 52.037 -0.631 0.000 0.644 174 A CB -1.645 16.786 19.000 -0.948 0.000 0.805 174 A HN 1.245 nan 8.150 nan 0.000 0.449 175 A N -0.046 122.364 122.820 -0.684 0.000 1.873 175 A HA -0.165 4.189 4.320 0.057 0.000 0.215 175 A C 1.919 179.474 177.584 -0.049 0.000 1.186 175 A CA 1.616 53.531 52.037 -0.203 0.000 0.616 175 A CB -0.535 18.435 19.000 -0.050 0.000 0.823 175 A HN 0.606 nan 8.150 nan 0.000 0.442 176 E N -0.408 119.772 120.200 -0.033 0.000 2.077 176 E HA -0.238 4.146 4.350 0.057 0.000 0.193 176 E C 2.319 179.033 176.600 0.191 0.000 0.989 176 E CA 1.419 57.887 56.400 0.112 0.000 0.800 176 E CB -0.200 29.625 29.700 0.207 0.000 0.746 176 E HN 0.715 nan 8.360 nan 0.000 0.452 177 Q N 0.254 120.138 119.800 0.141 0.000 2.096 177 Q HA -0.194 4.181 4.340 0.057 0.000 0.204 177 Q C 2.357 178.385 176.000 0.047 0.000 0.982 177 Q CA 1.061 56.960 55.803 0.161 0.000 0.850 177 Q CB -0.178 28.577 28.738 0.029 0.000 0.901 177 Q HN 0.202 nan 8.270 nan 0.000 0.422 178 L N 0.703 121.923 121.223 -0.006 0.000 2.042 178 L HA -0.157 4.218 4.340 0.057 0.000 0.210 178 L C 2.133 178.986 176.870 -0.029 0.000 1.076 178 L CA 2.216 57.050 54.840 -0.011 0.000 0.749 178 L CB -0.891 41.196 42.059 0.047 0.000 0.893 178 L HN 0.121 nan 8.230 nan 0.000 0.432 179 A N -1.084 121.720 122.820 -0.025 0.000 1.877 179 A HA -0.289 4.065 4.320 0.057 0.000 0.216 179 A C 2.564 180.068 177.584 -0.134 0.000 1.186 179 A CA 1.796 53.796 52.037 -0.062 0.000 0.620 179 A CB -1.684 17.286 19.000 -0.050 0.000 0.822 179 A HN 0.709 nan 8.150 nan 0.000 0.443 180 C N -0.627 118.562 119.300 -0.184 0.000 2.398 180 C HA -0.034 4.461 4.460 0.057 0.000 0.276 180 C C 3.167 177.973 174.990 -0.306 0.000 1.222 180 C CA 1.578 60.407 59.018 -0.316 0.000 1.746 180 C CB -1.394 26.084 27.740 -0.437 0.000 2.039 180 C HN 0.683 nan 8.230 nan 0.000 0.470 181 A N 0.180 122.855 122.820 -0.242 0.000 1.858 181 A HA -0.158 4.197 4.320 0.057 0.000 0.216 181 A C 2.314 179.748 177.584 -0.251 0.000 1.190 181 A CA 1.740 53.584 52.037 -0.322 0.000 0.617 181 A CB -0.770 18.156 19.000 -0.123 0.000 0.827 181 A HN 0.731 nan 8.150 nan 0.000 0.443 182 R N -0.986 119.427 120.500 -0.146 0.000 2.096 182 R HA -0.132 4.242 4.340 0.057 0.000 0.240 182 R C 2.353 178.589 176.300 -0.107 0.000 1.139 182 R CA 2.030 58.066 56.100 -0.106 0.000 0.952 182 R CB -0.797 29.457 30.300 -0.077 0.000 0.854 182 R HN 0.582 nan 8.270 nan 0.000 0.436 183 T N 0.284 114.755 114.554 -0.139 0.000 2.684 183 T HA -0.155 4.230 4.350 0.057 0.000 0.267 183 T C 1.816 176.437 174.700 -0.132 0.000 1.036 183 T CA 1.125 63.151 62.100 -0.124 0.000 1.148 183 T CB -0.138 68.643 68.868 -0.146 0.000 0.863 183 T HN 0.255 nan 8.240 nan 0.000 0.436 184 R N 0.533 120.880 120.500 -0.254 0.000 2.075 184 R HA 0.025 4.399 4.340 0.057 0.000 0.232 184 R C 2.795 179.066 176.300 -0.048 0.000 1.126 184 R CA 1.284 57.205 56.100 -0.299 0.000 0.963 184 R CB -0.556 29.265 30.300 -0.797 0.000 0.858 184 R HN 0.398 nan 8.270 nan 0.000 0.435 185 A N 1.065 123.897 122.820 0.019 0.000 1.877 185 A HA -0.222 4.133 4.320 0.057 0.000 0.216 185 A C 2.044 179.795 177.584 0.278 0.000 1.186 185 A CA 1.304 53.516 52.037 0.291 0.000 0.620 185 A CB -0.490 18.496 19.000 -0.022 0.000 0.822 185 A HN 0.361 nan 8.150 nan 0.000 0.443 186 Q N -0.741 119.125 119.800 0.111 0.000 2.170 186 Q HA -0.107 4.268 4.340 0.057 0.000 0.203 186 Q C 2.353 178.427 176.000 0.124 0.000 0.976 186 Q CA 1.250 57.118 55.803 0.108 0.000 0.858 186 Q CB -0.365 28.395 28.738 0.037 0.000 0.907 186 Q HN 0.714 nan 8.270 nan 0.000 0.433 187 A N 0.922 123.805 122.820 0.105 0.000 1.854 187 A HA -0.148 4.206 4.320 0.057 0.000 0.214 187 A C 1.970 179.631 177.584 0.129 0.000 1.192 187 A CA 0.951 53.040 52.037 0.087 0.000 0.611 187 A CB -0.385 18.645 19.000 0.050 0.000 0.832 187 A HN 0.223 nan 8.150 nan 0.000 0.442 188 I N 0.332 121.026 120.570 0.206 0.000 2.163 188 I HA -0.262 3.942 4.170 0.057 0.000 0.243 188 I C 2.937 179.158 176.117 0.173 0.000 1.085 188 I CA 1.555 62.977 61.300 0.203 0.000 1.347 188 I CB -1.676 36.530 38.000 0.344 0.000 1.044 188 I HN 0.363 nan 8.210 nan 0.000 0.408 189 A N 0.905 123.919 122.820 0.322 0.000 1.978 189 A HA -0.137 4.217 4.320 0.057 0.000 0.220 189 A C 2.576 180.248 177.584 0.146 0.000 1.170 189 A CA 2.039 54.250 52.037 0.291 0.000 0.636 189 A CB -0.681 18.557 19.000 0.396 0.000 0.810 189 A HN 0.444 nan 8.150 nan 0.000 0.448 190 A N 0.226 123.118 122.820 0.120 0.000 1.873 190 A HA -0.048 4.307 4.320 0.057 0.000 0.215 190 A C 2.303 179.920 177.584 0.055 0.000 1.186 190 A CA 1.999 54.081 52.037 0.075 0.000 0.616 190 A CB -0.911 18.126 19.000 0.062 0.000 0.823 190 A HN 1.091 nan 8.150 nan 0.000 0.442 191 S N -1.278 114.453 115.700 0.052 0.000 2.720 191 S HA 0.358 4.863 4.470 0.057 0.000 0.222 191 S C 0.052 174.670 174.600 0.029 0.000 0.958 191 S CA 0.092 58.315 58.200 0.037 0.000 0.943 191 S CB -0.511 62.709 63.200 0.034 0.000 0.779 191 S HN 0.172 nan 8.310 nan 0.000 0.526 192 V N 1.021 120.949 119.914 0.023 0.000 2.760 192 V HA 0.484 4.639 4.120 0.057 0.000 0.309 192 V C -0.410 175.686 176.094 0.002 0.000 1.077 192 V CA -0.904 61.399 62.300 0.005 0.000 0.910 192 V CB 2.144 33.945 31.823 -0.037 0.000 1.008 192 V HN 0.290 nan 8.190 nan 0.000 0.424 193 R N 3.970 124.467 120.500 -0.006 0.000 2.239 193 R HA 0.452 4.826 4.340 0.057 0.000 0.332 193 R C -2.552 173.734 176.300 -0.025 0.000 0.988 193 R CA -1.711 54.384 56.100 -0.008 0.000 0.859 193 R CB 1.651 31.947 30.300 -0.007 0.000 1.148 193 R HN 0.475 nan 8.270 nan 0.000 0.482 194 P HA -0.092 nan 4.420 nan 0.000 0.266 194 P C -0.263 177.014 177.300 -0.038 0.000 1.193 194 P CA -0.220 62.859 63.100 -0.035 0.000 0.770 194 P CB 0.485 32.180 31.700 -0.008 0.000 0.836 195 L N 1.950 123.140 121.223 -0.055 0.000 2.444 195 L HA 0.213 4.588 4.340 0.057 0.000 0.251 195 L C 0.887 177.734 176.870 -0.038 0.000 1.247 195 L CA 0.119 54.926 54.840 -0.054 0.000 0.825 195 L CB -0.739 41.277 42.059 -0.072 0.000 1.129 195 L HN 0.431 nan 8.230 nan 0.000 0.527 196 A N 1.235 124.034 122.820 -0.035 0.000 2.511 196 A HA 0.428 4.782 4.320 0.057 0.000 0.242 196 A C -2.181 175.387 177.584 -0.025 0.000 1.069 196 A CA -0.807 51.214 52.037 -0.025 0.000 0.763 196 A CB -0.953 18.032 19.000 -0.024 0.000 1.001 196 A HN 0.555 nan 8.150 nan 0.000 0.498 197 P HA 0.353 nan 4.420 nan 0.000 0.275 197 P C 0.156 177.449 177.300 -0.011 0.000 1.227 197 P CA 0.100 63.194 63.100 -0.010 0.000 0.781 197 P CB 1.141 32.842 31.700 0.001 0.000 0.906 198 T N 0.170 114.716 114.554 -0.012 0.000 2.669 198 T HA 0.743 5.128 4.350 0.057 0.000 0.283 198 T C -0.425 174.277 174.700 0.003 0.000 1.019 198 T CA -1.026 61.069 62.100 -0.010 0.000 1.039 198 T CB 1.665 70.517 68.868 -0.026 0.000 1.374 198 T HN 0.261 nan 8.240 nan 0.000 0.523 199 R N -0.635 119.871 120.500 0.011 0.000 2.855 199 R HA 0.703 5.078 4.340 0.057 0.000 0.266 199 R C -1.020 175.301 176.300 0.036 0.000 1.034 199 R CA -1.055 55.065 56.100 0.034 0.000 0.944 199 R CB 1.932 32.263 30.300 0.052 0.000 1.219 199 R HN 0.493 nan 8.270 nan 0.000 0.474 200 V N 2.863 122.814 119.914 0.061 0.000 2.843 200 V HA -0.041 4.113 4.120 0.057 0.000 0.305 200 V C 1.906 178.069 176.094 0.116 0.000 1.065 200 V CA 0.175 62.515 62.300 0.066 0.000 1.116 200 V CB 0.797 32.679 31.823 0.098 0.000 0.968 200 V HN 0.813 nan 8.190 nan 0.000 0.487 201 R N 3.143 123.722 120.500 0.132 0.000 2.105 201 R HA -0.153 4.221 4.340 0.057 0.000 0.239 201 R C 1.518 177.945 176.300 0.213 0.000 1.135 201 R CA 1.604 57.802 56.100 0.165 0.000 0.967 201 R CB -0.551 29.847 30.300 0.163 0.000 0.861 201 R HN 1.200 nan 8.270 nan 0.000 0.442 202 S N -0.232 115.693 115.700 0.375 0.000 2.929 202 S HA -0.333 4.172 4.470 0.057 0.000 0.271 202 S C 1.109 175.724 174.600 0.025 0.000 1.295 202 S CA 1.782 60.089 58.200 0.178 0.000 1.277 202 S CB -1.500 61.748 63.200 0.081 0.000 1.557 202 S HN 0.785 nan 8.310 nan 0.000 0.666 203 K N 1.692 122.183 120.400 0.152 0.000 2.287 203 K HA 0.469 4.823 4.320 0.057 0.000 0.199 203 K C 1.213 177.916 176.600 0.172 0.000 1.061 203 K CA 0.841 57.181 56.287 0.087 0.000 0.976 203 K CB 0.032 32.587 32.500 0.092 0.000 0.898 203 K HN 1.758 nan 8.250 nan 0.000 0.492 204 G N 1.860 110.955 108.800 0.491 0.000 2.825 204 G HA2 -0.185 3.809 3.960 0.057 0.000 0.684 204 G HA3 -0.185 3.809 3.960 0.057 0.000 0.684 204 G C -2.593 172.483 174.900 0.293 0.000 1.528 204 G CA -0.495 44.993 45.100 0.647 0.000 0.963 204 G HN 0.216 nan 8.290 nan 0.000 0.577 205 P HA 0.324 nan 4.420 nan 0.000 0.268 205 P C 0.177 177.573 177.300 0.160 0.000 1.208 205 P CA -0.556 62.685 63.100 0.236 0.000 0.777 205 P CB 0.500 32.291 31.700 0.151 0.000 0.875 206 L N 3.573 124.797 121.223 0.002 0.000 2.349 206 L HA 0.239 4.613 4.340 0.057 0.000 0.275 206 L C 0.459 177.302 176.870 -0.045 0.000 1.115 206 L CA 0.195 54.907 54.840 -0.212 0.000 0.820 206 L CB -0.008 41.706 42.059 -0.575 0.000 1.135 206 L HN 0.272 nan 8.230 nan 0.000 0.445 207 R N 4.282 124.772 120.500 -0.017 0.000 2.246 207 R HA 0.535 4.909 4.340 0.057 0.000 0.332 207 R C -1.259 175.092 176.300 0.085 0.000 0.974 207 R CA -0.739 55.412 56.100 0.086 0.000 0.837 207 R CB 1.266 31.588 30.300 0.037 0.000 1.145 207 R HN 0.359 nan 8.270 nan 0.000 0.467 208 V N 2.188 122.211 119.914 0.180 0.000 2.398 208 V HA 0.551 4.706 4.120 0.057 0.000 0.286 208 V C 0.664 176.913 176.094 0.258 0.000 1.026 208 V CA -0.786 61.618 62.300 0.174 0.000 0.868 208 V CB 1.658 33.602 31.823 0.203 0.000 0.982 208 V HN 0.912 nan 8.190 nan 0.000 0.443 209 G N 2.994 111.901 108.800 0.178 0.000 2.432 209 G HA2 0.763 4.757 3.960 0.057 0.000 0.331 209 G HA3 0.763 4.757 3.960 0.057 0.000 0.331 209 G C -1.461 173.531 174.900 0.152 0.000 1.170 209 G CA -0.443 44.900 45.100 0.405 0.000 0.943 209 G HN 0.435 nan 8.290 nan 0.000 0.483 210 F N 0.537 120.883 119.950 0.660 0.000 2.536 210 F HA 0.438 4.999 4.527 0.058 0.000 0.322 210 F C -0.135 176.109 175.800 0.741 0.000 1.144 210 F CA -0.859 57.557 58.000 0.693 0.000 0.924 210 F CB 2.768 42.157 39.000 0.648 0.000 1.181 210 F HN 0.240 nan 8.300 nan 0.000 0.438 211 V N 2.426 122.800 119.914 0.766 0.000 2.384 211 V HA 0.752 4.906 4.120 0.057 0.000 0.287 211 V C -0.322 175.964 176.094 0.320 0.000 1.020 211 V CA -0.359 62.291 62.300 0.584 0.000 0.850 211 V CB 1.384 33.507 31.823 0.501 0.000 0.987 211 V HN 0.799 nan 8.190 nan 0.000 0.436 212 S N 2.730 118.442 115.700 0.021 0.000 2.588 212 S HA 0.425 4.930 4.470 0.057 0.000 0.269 212 S C 0.009 174.359 174.600 -0.416 0.000 1.157 212 S CA -0.443 57.518 58.200 -0.398 0.000 0.824 212 S CB 1.895 64.504 63.200 -0.986 0.000 1.126 212 S HN 0.859 nan 8.310 nan 0.000 0.464 213 N N 0.916 119.376 118.700 -0.400 0.000 2.184 213 N HA 0.176 4.950 4.740 0.057 0.000 0.206 213 N C 0.820 176.043 175.510 -0.479 0.000 1.151 213 N CA 0.304 53.180 53.050 -0.291 0.000 0.878 213 N CB 0.374 38.756 38.487 -0.175 0.000 1.014 213 N HN 0.553 nan 8.380 nan 0.000 0.512 214 G N -0.017 108.303 108.800 -0.800 0.000 3.502 214 G HA2 0.191 4.186 3.960 0.057 0.000 0.267 214 G HA3 0.191 4.186 3.960 0.057 0.000 0.267 214 G C -0.697 173.959 174.900 -0.406 0.000 1.090 214 G CA -0.408 44.084 45.100 -1.013 0.000 0.795 214 G HN 0.065 nan 8.290 nan 0.000 0.535 215 F N 2.098 121.973 119.950 -0.126 0.000 2.556 215 F HA 0.475 5.037 4.527 0.057 0.000 0.344 215 F C 1.099 176.872 175.800 -0.043 0.000 1.255 215 F CA -0.282 57.682 58.000 -0.060 0.000 1.091 215 F CB 0.134 39.104 39.000 -0.049 0.000 1.325 215 F HN 0.228 nan 8.300 nan 0.000 0.627 216 G N 2.109 111.002 108.800 0.156 0.000 3.373 216 G HA2 0.450 4.444 3.960 0.057 0.000 0.685 216 G HA3 0.450 4.444 3.960 0.057 0.000 0.685 216 G C 0.127 175.069 174.900 0.070 0.000 1.166 216 G CA -0.586 44.564 45.100 0.084 0.000 1.063 216 G HN 1.646 nan 8.290 nan 0.000 0.481 217 A N 1.388 124.233 122.820 0.042 0.000 2.914 217 A HA 0.120 4.474 4.320 0.057 0.000 0.280 217 A C 0.335 177.970 177.584 0.086 0.000 1.447 217 A CA 2.300 54.356 52.037 0.033 0.000 0.759 217 A CB -1.741 17.282 19.000 0.039 0.000 1.034 217 A HN 2.739 nan 8.150 nan 0.000 0.529 218 H N -2.487 116.551 119.070 -0.054 0.000 3.064 218 H HA 0.410 5.002 4.556 0.060 0.000 0.352 218 H C -2.633 172.656 175.328 -0.066 0.000 1.260 218 H CA -0.567 55.451 56.048 -0.050 0.000 1.160 218 H CB 1.306 31.042 29.762 -0.044 0.000 1.879 218 H HN -0.038 nan 8.280 nan 0.000 0.544 219 P HA -0.186 nan 4.420 nan 0.000 0.216 219 P C 1.327 178.687 177.300 0.100 0.000 1.167 219 P CA 2.824 65.916 63.100 -0.013 0.000 0.914 219 P CB 0.046 31.696 31.700 -0.084 0.000 0.793 220 T N -1.097 113.627 114.554 0.283 0.000 2.635 220 T HA -0.177 4.207 4.350 0.057 0.000 0.267 220 T C 1.961 176.694 174.700 0.054 0.000 1.040 220 T CA 2.045 64.191 62.100 0.078 0.000 1.156 220 T CB -1.407 67.431 68.868 -0.050 0.000 0.863 220 T HN 0.258 nan 8.240 nan 0.000 0.430 221 G N 0.976 109.842 108.800 0.110 0.000 2.402 221 G HA2 -0.116 3.878 3.960 0.057 0.000 0.216 221 G HA3 -0.116 3.878 3.960 0.057 0.000 0.216 221 G C 1.514 176.430 174.900 0.026 0.000 1.162 221 G CA 0.641 45.840 45.100 0.166 0.000 0.777 221 G HN 0.417 nan 8.290 nan 0.000 0.539 222 L N 0.380 121.583 121.223 -0.032 0.000 2.127 222 L HA 0.094 4.468 4.340 0.057 0.000 0.211 222 L C 2.546 179.317 176.870 -0.165 0.000 1.089 222 L CA 1.362 56.121 54.840 -0.134 0.000 0.757 222 L CB -0.285 41.651 42.059 -0.207 0.000 0.899 222 L HN 0.208 nan 8.230 nan 0.000 0.434 223 L N -1.400 119.727 121.223 -0.160 0.000 2.209 223 L HA -0.060 4.314 4.340 0.057 0.000 0.207 223 L C 2.152 178.812 176.870 -0.350 0.000 1.094 223 L CA 1.313 56.004 54.840 -0.250 0.000 0.790 223 L CB -0.686 41.218 42.059 -0.259 0.000 0.932 223 L HN 0.463 nan 8.230 nan 0.000 0.447 224 T N -3.915 110.459 114.554 -0.301 0.000 3.044 224 T HA 0.020 4.404 4.350 0.057 0.000 0.250 224 T C 1.732 176.211 174.700 -0.368 0.000 1.081 224 T CA 0.558 62.382 62.100 -0.461 0.000 1.040 224 T CB -0.351 68.232 68.868 -0.476 0.000 0.962 224 T HN 0.119 nan 8.240 nan 0.000 0.506 225 V N 1.527 121.350 119.914 -0.152 0.000 2.252 225 V HA -0.110 4.044 4.120 0.057 0.000 0.249 225 V C 3.034 179.042 176.094 -0.142 0.000 1.056 225 V CA 1.759 64.014 62.300 -0.074 0.000 1.022 225 V CB -1.981 29.797 31.823 -0.075 0.000 0.641 225 V HN 0.539 nan 8.190 nan 0.000 0.445 226 A N 0.183 122.869 122.820 -0.222 0.000 1.940 226 A HA -0.088 4.266 4.320 0.057 0.000 0.219 226 A C 2.359 179.790 177.584 -0.254 0.000 1.176 226 A CA 2.138 54.041 52.037 -0.225 0.000 0.631 226 A CB -0.628 18.209 19.000 -0.271 0.000 0.814 226 A HN 0.580 nan 8.150 nan 0.000 0.446 227 L N -1.729 119.253 121.223 -0.402 0.000 2.017 227 L HA -0.152 4.223 4.340 0.057 0.000 0.208 227 L C 2.398 179.056 176.870 -0.352 0.000 1.073 227 L CA 1.736 56.291 54.840 -0.474 0.000 0.745 227 L CB -0.364 41.222 42.059 -0.789 0.000 0.894 227 L HN 0.413 nan 8.230 nan 0.000 0.432 228 F N 0.618 120.432 119.950 -0.225 0.000 2.171 228 F HA -0.195 4.367 4.527 0.057 0.000 0.300 228 F C 2.531 178.247 175.800 -0.140 0.000 1.090 228 F CA 1.203 59.085 58.000 -0.198 0.000 1.293 228 F CB -0.576 38.264 39.000 -0.265 0.000 1.013 228 F HN 0.159 nan 8.300 nan 0.000 0.486 229 E N -0.105 120.112 120.200 0.028 0.000 2.072 229 E HA -0.156 4.228 4.350 0.057 0.000 0.191 229 E C 2.427 179.018 176.600 -0.015 0.000 0.985 229 E CA 0.997 57.391 56.400 -0.011 0.000 0.801 229 E CB -0.301 29.372 29.700 -0.045 0.000 0.750 229 E HN 0.337 nan 8.360 nan 0.000 0.452 230 A N 1.037 123.835 122.820 -0.037 0.000 1.898 230 A HA -0.140 4.214 4.320 0.057 0.000 0.216 230 A C 2.170 179.769 177.584 0.025 0.000 1.181 230 A CA 0.950 52.974 52.037 -0.021 0.000 0.620 230 A CB -0.590 18.383 19.000 -0.044 0.000 0.819 230 A HN 0.123 nan 8.150 nan 0.000 0.442 231 L N -0.723 120.530 121.223 0.050 0.000 2.046 231 L HA -0.263 4.112 4.340 0.057 0.000 0.208 231 L C 2.920 179.841 176.870 0.085 0.000 1.077 231 L CA 1.890 56.793 54.840 0.106 0.000 0.747 231 L CB -0.513 41.655 42.059 0.181 0.000 0.896 231 L HN 0.630 nan 8.230 nan 0.000 0.432 232 Q N 0.373 120.211 119.800 0.064 0.000 2.135 232 Q HA -0.280 4.095 4.340 0.057 0.000 0.204 232 Q C 2.342 178.356 176.000 0.024 0.000 0.981 232 Q CA 1.867 57.689 55.803 0.032 0.000 0.856 232 Q CB -0.025 28.714 28.738 0.001 0.000 0.902 232 Q HN 0.371 nan 8.270 nan 0.000 0.425 233 R N -0.481 120.031 120.500 0.021 0.000 2.127 233 R HA 0.019 4.393 4.340 0.057 0.000 0.217 233 R C 1.469 177.786 176.300 0.029 0.000 1.074 233 R CA 0.799 56.909 56.100 0.017 0.000 0.991 233 R CB 0.253 30.557 30.300 0.006 0.000 0.895 233 R HN 0.161 nan 8.270 nan 0.000 0.450 234 R N -0.673 119.851 120.500 0.041 0.000 2.397 234 R HA 0.191 4.565 4.340 0.057 0.000 0.241 234 R C -0.040 176.298 176.300 0.063 0.000 0.914 234 R CA 0.049 56.180 56.100 0.051 0.000 1.071 234 R CB 0.986 31.319 30.300 0.056 0.000 1.116 234 R HN 0.093 nan 8.270 nan 0.000 0.524 235 Q N -0.374 119.467 119.800 0.069 0.000 3.007 235 Q HA 0.175 4.550 4.340 0.057 0.000 0.321 235 Q C -2.424 173.620 176.000 0.073 0.000 0.784 235 Q CA -1.334 54.515 55.803 0.078 0.000 0.990 235 Q CB 1.704 30.499 28.738 0.096 0.000 1.493 235 Q HN 0.017 nan 8.270 nan 0.000 0.382 236 P HA -0.192 nan 4.420 nan 0.000 0.219 236 P C 0.992 178.330 177.300 0.063 0.000 1.146 236 P CA 1.330 64.460 63.100 0.051 0.000 0.808 236 P CB 0.246 31.971 31.700 0.041 0.000 0.779 237 D N -0.494 119.953 120.400 0.078 0.000 2.218 237 D HA -0.125 4.550 4.640 0.057 0.000 0.204 237 D C 0.633 176.993 176.300 0.100 0.000 0.976 237 D CA 0.691 54.752 54.000 0.102 0.000 0.853 237 D CB -0.595 40.280 40.800 0.126 0.000 0.939 237 D HN 0.232 nan 8.370 nan 0.000 0.481 238 L N 1.098 122.369 121.223 0.081 0.000 2.260 238 L HA 0.187 4.562 4.340 0.057 0.000 0.289 238 L C 0.417 177.341 176.870 0.090 0.000 1.057 238 L CA -0.357 54.524 54.840 0.069 0.000 0.811 238 L CB 1.468 43.568 42.059 0.069 0.000 1.184 238 L HN -0.141 nan 8.230 nan 0.000 0.429 239 Q N 4.246 124.107 119.800 0.101 0.000 2.389 239 Q HA 0.257 4.632 4.340 0.057 0.000 0.244 239 Q C -0.688 175.415 176.000 0.171 0.000 1.056 239 Q CA -0.595 55.275 55.803 0.112 0.000 0.908 239 Q CB 0.691 29.526 28.738 0.162 0.000 1.273 239 Q HN 0.477 nan 8.270 nan 0.000 0.471 240 M N 3.571 123.213 119.600 0.070 0.000 2.162 240 M HA 0.225 4.739 4.480 0.057 0.000 0.356 240 M C -0.492 175.725 176.300 -0.137 0.000 1.303 240 M CA 0.253 55.609 55.300 0.093 0.000 1.116 240 M CB 0.577 33.186 32.600 0.014 0.000 1.632 240 M HN 0.478 nan 8.290 nan 0.000 0.469 241 H N 3.693 122.788 119.070 0.041 0.000 2.658 241 H HA 0.440 5.030 4.556 0.057 0.000 0.337 241 H C -1.210 174.037 175.328 -0.136 0.000 1.009 241 H CA -0.790 55.173 56.048 -0.141 0.000 1.231 241 H CB 2.021 31.746 29.762 -0.061 0.000 1.508 241 H HN 0.400 nan 8.280 nan 0.000 0.517 242 L N 4.006 125.029 121.223 -0.333 0.000 2.287 242 L HA 0.264 4.638 4.340 0.057 0.000 0.287 242 L C -0.578 176.171 176.870 -0.203 0.000 1.022 242 L CA -0.230 54.449 54.840 -0.267 0.000 0.814 242 L CB 0.497 42.079 42.059 -0.795 0.000 1.217 242 L HN 0.465 nan 8.230 nan 0.000 0.420 243 F N 3.255 123.442 119.950 0.395 0.000 2.300 243 F HA 0.547 5.109 4.527 0.057 0.000 0.364 243 F C 0.759 176.811 175.800 0.420 0.000 1.090 243 F CA -0.670 57.553 58.000 0.373 0.000 1.200 243 F CB 0.675 39.846 39.000 0.284 0.000 1.493 243 F HN 0.521 nan 8.300 nan 0.000 0.518 244 A N 1.338 124.444 122.820 0.477 0.000 2.409 244 A HA 0.404 4.759 4.320 0.057 0.000 0.267 244 A C 1.075 178.805 177.584 0.243 0.000 1.127 244 A CA -0.112 52.195 52.037 0.449 0.000 0.795 244 A CB -0.013 19.221 19.000 0.389 0.000 1.061 244 A HN 0.732 nan 8.150 nan 0.000 0.502 245 T N -0.556 114.087 114.554 0.149 0.000 3.186 245 T HA 0.378 4.762 4.350 0.057 0.000 0.257 245 T C 0.345 175.070 174.700 0.042 0.000 1.029 245 T CA 0.312 62.463 62.100 0.086 0.000 0.916 245 T CB -0.853 68.051 68.868 0.061 0.000 1.041 245 T HN 1.081 nan 8.240 nan 0.000 0.562 246 S N -0.609 115.120 115.700 0.049 0.000 2.549 246 S HA 0.801 5.305 4.470 0.057 0.000 0.280 246 S C 0.283 174.910 174.600 0.045 0.000 1.109 246 S CA -0.769 57.448 58.200 0.028 0.000 0.905 246 S CB 1.454 64.652 63.200 -0.003 0.000 1.081 246 S HN 0.423 nan 8.310 nan 0.000 0.477 247 G N 0.315 109.132 108.800 0.030 0.000 2.621 247 G HA2 0.361 4.355 3.960 0.057 0.000 0.271 247 G HA3 0.361 4.355 3.960 0.057 0.000 0.271 247 G C -0.564 174.353 174.900 0.028 0.000 1.236 247 G CA -0.459 44.657 45.100 0.027 0.000 0.958 247 G HN 0.791 nan 8.290 nan 0.000 0.512 248 D N -0.338 120.073 120.400 0.018 0.000 2.417 248 D HA 0.035 4.709 4.640 0.057 0.000 0.250 248 D C 0.630 176.940 176.300 0.016 0.000 1.166 248 D CA -0.274 53.735 54.000 0.015 0.000 0.881 248 D CB 1.199 42.000 40.800 0.002 0.000 1.164 248 D HN 0.358 nan 8.370 nan 0.000 0.467 249 D N 2.154 122.566 120.400 0.021 0.000 2.369 249 D HA 0.135 4.809 4.640 0.057 0.000 0.211 249 D C 1.370 177.681 176.300 0.017 0.000 1.077 249 D CA 0.373 54.386 54.000 0.022 0.000 0.842 249 D CB 0.012 40.830 40.800 0.030 0.000 0.947 249 D HN 0.583 nan 8.370 nan 0.000 0.509 250 G N 0.496 109.303 108.800 0.012 0.000 2.176 250 G HA2 -0.283 3.712 3.960 0.057 0.000 0.253 250 G HA3 -0.283 3.712 3.960 0.057 0.000 0.253 250 G C 0.391 175.297 174.900 0.010 0.000 0.979 250 G CA 0.432 45.538 45.100 0.009 0.000 0.641 250 G HN 0.811 nan 8.290 nan 0.000 0.530 251 S N -0.673 115.035 115.700 0.014 0.000 2.603 251 S HA 0.589 5.093 4.470 0.057 0.000 0.268 251 S C 1.352 175.955 174.600 0.006 0.000 1.317 251 S CA 0.761 58.970 58.200 0.015 0.000 1.012 251 S CB 1.685 64.898 63.200 0.021 0.000 0.926 251 S HN 0.338 nan 8.310 nan 0.000 0.539 252 T N 1.843 116.401 114.554 0.006 0.000 2.788 252 T HA -0.046 4.338 4.350 0.057 0.000 0.268 252 T C 1.682 176.374 174.700 -0.013 0.000 1.044 252 T CA 1.375 63.473 62.100 -0.003 0.000 1.139 252 T CB -0.611 68.258 68.868 0.003 0.000 0.867 252 T HN 0.511 nan 8.240 nan 0.000 0.454 253 L N 0.646 121.864 121.223 -0.009 0.000 1.989 253 L HA -0.167 4.208 4.340 0.057 0.000 0.211 253 L C 2.818 179.680 176.870 -0.014 0.000 1.071 253 L CA 1.437 56.268 54.840 -0.014 0.000 0.749 253 L CB -0.442 41.613 42.059 -0.008 0.000 0.890 253 L HN 0.125 nan 8.230 nan 0.000 0.431 254 R N 0.020 120.520 120.500 0.001 0.000 2.091 254 R HA -0.156 4.218 4.340 0.057 0.000 0.238 254 R C 2.154 178.423 176.300 -0.051 0.000 1.136 254 R CA 2.366 58.461 56.100 -0.007 0.000 0.959 254 R CB -1.056 29.251 30.300 0.011 0.000 0.856 254 R HN 0.243 nan 8.270 nan 0.000 0.437 255 T N 0.420 114.949 114.554 -0.043 0.000 2.746 255 T HA -0.069 4.315 4.350 0.057 0.000 0.267 255 T C 1.810 176.466 174.700 -0.074 0.000 1.039 255 T CA 1.653 63.719 62.100 -0.056 0.000 1.142 255 T CB -0.170 68.675 68.868 -0.038 0.000 0.866 255 T HN 0.332 nan 8.240 nan 0.000 0.444 256 R N 0.465 120.926 120.500 -0.065 0.000 2.081 256 R HA 0.062 4.437 4.340 0.057 0.000 0.235 256 R C 2.464 178.700 176.300 -0.106 0.000 1.131 256 R CA 1.018 57.075 56.100 -0.072 0.000 0.960 256 R CB -0.527 29.740 30.300 -0.055 0.000 0.856 256 R HN 0.345 nan 8.270 nan 0.000 0.436 257 L N 0.133 121.279 121.223 -0.128 0.000 2.046 257 L HA -0.147 4.227 4.340 0.057 0.000 0.208 257 L C 2.692 179.383 176.870 -0.297 0.000 1.077 257 L CA 1.226 55.930 54.840 -0.227 0.000 0.747 257 L CB -0.594 41.298 42.059 -0.277 0.000 0.896 257 L HN 0.246 nan 8.230 nan 0.000 0.432 258 A N 0.287 122.965 122.820 -0.235 0.000 1.940 258 A HA -0.231 4.123 4.320 0.057 0.000 0.219 258 A C 2.054 179.509 177.584 -0.216 0.000 1.176 258 A CA 1.818 53.714 52.037 -0.235 0.000 0.631 258 A CB -0.506 18.395 19.000 -0.164 0.000 0.814 258 A HN 0.660 nan 8.150 nan 0.000 0.446 259 Q N -1.631 118.069 119.800 -0.166 0.000 2.204 259 Q HA 0.569 4.943 4.340 0.057 0.000 0.209 259 Q C 0.528 176.446 176.000 -0.137 0.000 0.861 259 Q CA 0.495 56.214 55.803 -0.140 0.000 0.971 259 Q CB 0.186 28.865 28.738 -0.098 0.000 1.095 259 Q HN 0.439 nan 8.270 nan 0.000 0.486 260 A N 0.419 123.135 122.820 -0.174 0.000 2.609 260 A HA 0.448 4.802 4.320 0.057 0.000 0.286 260 A C 0.128 177.583 177.584 -0.214 0.000 1.138 260 A CA 0.270 52.222 52.037 -0.142 0.000 0.960 260 A CB 0.541 19.486 19.000 -0.091 0.000 1.208 260 A HN 0.442 nan 8.150 nan 0.000 0.541 261 S N -2.128 113.397 115.700 -0.292 0.000 2.660 261 S HA 0.403 4.907 4.470 0.057 0.000 0.264 261 S C -0.861 173.487 174.600 -0.420 0.000 1.131 261 S CA -0.304 57.663 58.200 -0.387 0.000 0.846 261 S CB 0.446 63.294 63.200 -0.587 0.000 1.151 261 S HN 0.164 nan 8.310 nan 0.000 0.486 262 T N 1.911 116.143 114.554 -0.536 0.000 2.781 262 T HA 0.512 4.896 4.350 0.057 0.000 0.305 262 T C -0.495 173.768 174.700 -0.729 0.000 1.001 262 T CA -0.286 61.445 62.100 -0.615 0.000 0.950 262 T CB 0.113 68.516 68.868 -0.775 0.000 0.955 262 T HN 0.595 nan 8.240 nan 0.000 0.471 263 L N 5.603 126.466 121.223 -0.599 0.000 2.257 263 L HA 0.403 4.778 4.340 0.057 0.000 0.290 263 L C -0.322 176.263 176.870 -0.475 0.000 1.044 263 L CA -0.670 53.851 54.840 -0.532 0.000 0.810 263 L CB 0.317 42.138 42.059 -0.397 0.000 1.193 263 L HN 0.605 nan 8.230 nan 0.000 0.425 264 H N 3.536 122.457 119.070 -0.248 0.000 2.552 264 H HA 0.169 4.759 4.556 0.057 0.000 0.311 264 H C -0.995 174.334 175.328 0.001 0.000 1.071 264 H CA -0.600 55.391 56.048 -0.094 0.000 1.307 264 H CB 1.604 31.344 29.762 -0.038 0.000 1.416 264 H HN 0.535 nan 8.280 nan 0.000 0.464 265 D N 4.274 124.736 120.400 0.104 0.000 2.441 265 D HA 0.034 4.708 4.640 0.057 0.000 0.221 265 D C 0.757 177.099 176.300 0.070 0.000 1.156 265 D CA -0.382 53.668 54.000 0.083 0.000 0.896 265 D CB 0.407 41.229 40.800 0.036 0.000 1.028 265 D HN 0.399 nan 8.370 nan 0.000 0.509 266 V N 1.785 121.764 119.914 0.108 0.000 3.170 266 V HA 0.136 4.291 4.120 0.057 0.000 0.354 266 V C 1.782 177.900 176.094 0.039 0.000 1.350 266 V CA -0.161 62.164 62.300 0.042 0.000 1.244 266 V CB -0.150 31.732 31.823 0.099 0.000 1.222 266 V HN 0.374 nan 8.190 nan 0.000 0.478 267 T N 1.403 115.983 114.554 0.043 0.000 2.803 267 T HA -0.124 4.260 4.350 0.057 0.000 0.269 267 T C 1.727 176.433 174.700 0.010 0.000 1.052 267 T CA 2.427 64.545 62.100 0.031 0.000 1.136 267 T CB -0.082 68.803 68.868 0.028 0.000 0.864 267 T HN 0.861 nan 8.240 nan 0.000 0.467 268 A N 0.006 122.823 122.820 -0.005 0.000 2.238 268 A HA 0.423 4.777 4.320 0.057 0.000 0.210 268 A C 0.779 178.350 177.584 -0.022 0.000 1.179 268 A CA -0.104 51.924 52.037 -0.015 0.000 0.827 268 A CB -0.069 18.918 19.000 -0.021 0.000 0.856 268 A HN 0.504 nan 8.150 nan 0.000 0.488 269 L N -0.102 121.104 121.223 -0.028 0.000 2.418 269 L HA 0.460 4.834 4.340 0.057 0.000 0.265 269 L C 1.210 178.070 176.870 -0.016 0.000 1.143 269 L CA -0.518 54.299 54.840 -0.039 0.000 0.809 269 L CB 0.716 42.739 42.059 -0.060 0.000 1.124 269 L HN 0.290 nan 8.230 nan 0.000 0.456 270 G N -0.768 108.013 108.800 -0.033 0.000 2.588 270 G HA2 0.111 4.106 3.960 0.057 0.000 0.281 270 G HA3 0.111 4.106 3.960 0.057 0.000 0.281 270 G C 0.958 175.851 174.900 -0.012 0.000 1.236 270 G CA -0.232 44.867 45.100 -0.003 0.000 0.969 270 G HN 0.883 nan 8.290 nan 0.000 0.504 271 H N -0.531 118.509 119.070 -0.051 0.000 2.387 271 H HA -0.104 4.487 4.556 0.057 0.000 0.299 271 H C 2.329 177.602 175.328 -0.091 0.000 1.090 271 H CA 1.334 57.338 56.048 -0.073 0.000 1.332 271 H CB -0.603 29.113 29.762 -0.076 0.000 1.386 271 H HN 0.289 nan 8.280 nan 0.000 0.516 272 L N 1.633 122.578 121.223 -0.463 0.000 2.027 272 L HA 0.047 4.421 4.340 0.057 0.000 0.206 272 L C 2.798 179.565 176.870 -0.172 0.000 1.074 272 L CA 2.011 56.675 54.840 -0.293 0.000 0.745 272 L CB -1.174 40.690 42.059 -0.325 0.000 0.898 272 L HN 0.326 nan 8.230 nan 0.000 0.433 273 A N -1.507 121.221 122.820 -0.153 0.000 1.908 273 A HA -0.233 4.121 4.320 0.057 0.000 0.218 273 A C 2.270 179.822 177.584 -0.053 0.000 1.181 273 A CA 2.451 54.434 52.037 -0.091 0.000 0.627 273 A CB -1.294 17.655 19.000 -0.085 0.000 0.818 273 A HN 0.519 nan 8.150 nan 0.000 0.445 274 T N 0.205 114.722 114.554 -0.062 0.000 2.746 274 T HA -0.014 4.370 4.350 0.057 0.000 0.267 274 T C 2.203 176.842 174.700 -0.101 0.000 1.039 274 T CA 1.565 63.640 62.100 -0.042 0.000 1.142 274 T CB -0.445 68.397 68.868 -0.042 0.000 0.866 274 T HN 0.616 nan 8.240 nan 0.000 0.444 275 A N 2.002 124.736 122.820 -0.144 0.000 1.858 275 A HA -0.121 4.233 4.320 0.057 0.000 0.216 275 A C 2.281 179.773 177.584 -0.154 0.000 1.190 275 A CA 1.363 53.279 52.037 -0.201 0.000 0.617 275 A CB -0.402 18.487 19.000 -0.185 0.000 0.827 275 A HN 0.359 nan 8.150 nan 0.000 0.443 276 K N -1.097 119.246 120.400 -0.094 0.000 2.152 276 K HA -0.194 4.160 4.320 0.057 0.000 0.206 276 K C 2.022 178.619 176.600 -0.005 0.000 1.048 276 K CA 1.376 57.630 56.287 -0.056 0.000 0.933 276 K CB -0.419 32.054 32.500 -0.044 0.000 0.721 276 K HN 0.759 nan 8.250 nan 0.000 0.447 277 H N 0.891 119.914 119.070 -0.079 0.000 2.357 277 H HA -0.027 4.563 4.556 0.057 0.000 0.301 277 H C 2.105 177.448 175.328 0.026 0.000 1.082 277 H CA 1.293 57.339 56.048 -0.003 0.000 1.342 277 H CB 0.123 29.895 29.762 0.017 0.000 1.389 277 H HN 0.091 nan 8.280 nan 0.000 0.511 278 I N 0.549 120.981 120.570 -0.231 0.000 2.226 278 I HA -0.251 3.954 4.170 0.057 0.000 0.245 278 I C 2.846 178.817 176.117 -0.243 0.000 1.100 278 I CA 1.147 62.149 61.300 -0.496 0.000 1.374 278 I CB -0.215 37.303 38.000 -0.803 0.000 1.057 278 I HN 0.123 nan 8.210 nan 0.000 0.413 279 R N 0.796 121.183 120.500 -0.189 0.000 2.105 279 R HA -0.267 4.107 4.340 0.057 0.000 0.239 279 R C 2.281 178.512 176.300 -0.115 0.000 1.135 279 R CA 1.900 57.919 56.100 -0.135 0.000 0.967 279 R CB -0.988 29.247 30.300 -0.109 0.000 0.861 279 R HN 0.464 nan 8.270 nan 0.000 0.442 280 H N -0.958 117.991 119.070 -0.202 0.000 2.456 280 H HA -0.072 4.519 4.556 0.057 0.000 0.296 280 H C 0.958 176.069 175.328 -0.361 0.000 1.079 280 H CA 1.996 57.884 56.048 -0.267 0.000 1.322 280 H CB -0.046 29.527 29.762 -0.316 0.000 1.388 280 H HN 0.386 nan 8.280 nan 0.000 0.538 281 H N -0.772 118.152 119.070 -0.244 0.000 2.526 281 H HA 0.178 4.768 4.556 0.058 0.000 0.274 281 H C 1.100 176.287 175.328 -0.235 0.000 0.999 281 H CA 0.598 56.491 56.048 -0.258 0.000 1.157 281 H CB 0.125 29.750 29.762 -0.228 0.000 1.407 281 H HN 0.600 nan 8.280 nan 0.000 0.568 282 G N 2.024 110.746 108.800 -0.131 0.000 2.323 282 G HA2 -0.259 3.735 3.960 0.057 0.000 0.292 282 G HA3 -0.259 3.735 3.960 0.057 0.000 0.292 282 G C 0.194 175.046 174.900 -0.080 0.000 1.040 282 G CA -0.092 44.947 45.100 -0.102 0.000 0.942 282 G HN 0.208 nan 8.290 nan 0.000 0.506 283 I N 0.629 121.148 120.570 -0.085 0.000 2.618 283 I HA 0.097 4.302 4.170 0.057 0.000 0.284 283 I C 1.047 177.128 176.117 -0.060 0.000 1.146 283 I CA -0.089 61.174 61.300 -0.061 0.000 1.425 283 I CB 0.714 38.688 38.000 -0.044 0.000 1.383 283 I HN 0.226 nan 8.210 nan 0.000 0.562 284 D N 5.592 125.962 120.400 -0.050 0.000 2.369 284 D HA 0.128 4.802 4.640 0.057 0.000 0.231 284 D C 0.450 176.704 176.300 -0.077 0.000 0.967 284 D CA 0.920 54.879 54.000 -0.069 0.000 0.905 284 D CB 0.629 41.370 40.800 -0.097 0.000 1.044 284 D HN 0.320 nan 8.370 nan 0.000 0.487 285 L N 1.856 123.051 121.223 -0.047 0.000 2.316 285 L HA 0.402 4.776 4.340 0.057 0.000 0.280 285 L C -0.910 175.992 176.870 0.052 0.000 1.006 285 L CA -0.726 54.097 54.840 -0.028 0.000 0.836 285 L CB 2.189 44.260 42.059 0.019 0.000 1.221 285 L HN -0.107 nan 8.230 nan 0.000 0.418 286 L N 3.529 124.756 121.223 0.006 0.000 2.313 286 L HA 0.611 4.985 4.340 0.057 0.000 0.283 286 L C -1.047 175.912 176.870 0.149 0.000 1.013 286 L CA 0.126 55.029 54.840 0.105 0.000 0.816 286 L CB 1.227 43.308 42.059 0.036 0.000 1.236 286 L HN 0.180 nan 8.230 nan 0.000 0.419 287 F N 2.579 122.583 119.950 0.090 0.000 2.443 287 F HA 0.340 4.901 4.527 0.057 0.000 0.335 287 F C 0.173 176.217 175.800 0.406 0.000 1.104 287 F CA -0.706 57.444 58.000 0.249 0.000 1.013 287 F CB 1.343 40.500 39.000 0.262 0.000 1.136 287 F HN 0.418 nan 8.300 nan 0.000 0.470 288 D N 3.425 124.006 120.400 0.300 0.000 2.411 288 D HA 0.228 4.902 4.640 0.057 0.000 0.225 288 D C -0.136 176.258 176.300 0.157 0.000 1.156 288 D CA -0.070 53.889 54.000 -0.070 0.000 0.874 288 D CB 0.640 40.910 40.800 -0.883 0.000 1.034 288 D HN 0.310 nan 8.370 nan 0.000 0.502 289 L N 3.224 124.607 121.223 0.267 0.000 2.848 289 L HA 0.392 4.767 4.340 0.057 0.000 0.240 289 L C 1.256 178.148 176.870 0.036 0.000 1.232 289 L CA 0.088 55.040 54.840 0.187 0.000 1.031 289 L CB 0.153 42.362 42.059 0.250 0.000 1.338 289 L HN 0.531 nan 8.230 nan 0.000 0.509 290 A N -1.970 120.852 122.820 0.005 0.000 1.964 290 A HA 0.659 5.014 4.320 0.057 0.000 0.198 290 A C 1.338 178.902 177.584 -0.033 0.000 1.599 290 A CA 0.537 52.553 52.037 -0.035 0.000 0.968 290 A CB -0.492 18.485 19.000 -0.039 0.000 1.029 290 A HN 0.379 nan 8.150 nan 0.000 0.508 291 G N -1.110 107.609 108.800 -0.134 0.000 2.682 291 G HA2 -0.265 3.729 3.960 0.057 0.000 0.256 291 G HA3 -0.265 3.729 3.960 0.057 0.000 0.256 291 G C -0.239 174.500 174.900 -0.267 0.000 1.333 291 G CA -0.008 44.961 45.100 -0.218 0.000 0.904 291 G HN 0.758 nan 8.290 nan 0.000 0.569 292 W N 0.940 122.131 121.300 -0.181 0.000 2.210 292 W HA 0.464 5.158 4.660 0.056 0.000 0.330 292 W C 0.987 177.506 176.519 0.002 0.000 1.334 292 W CA 1.232 58.486 57.345 -0.152 0.000 1.227 292 W CB 0.520 29.749 29.460 -0.385 0.000 1.178 292 W HN 1.895 nan 8.180 nan 0.000 0.560 293 G N 1.417 110.364 108.800 0.245 0.000 2.722 293 G HA2 0.357 4.351 3.960 0.057 0.000 0.686 293 G HA3 0.357 4.351 3.960 0.057 0.000 0.686 293 G C 0.195 175.042 174.900 -0.088 0.000 1.282 293 G CA -0.431 44.689 45.100 0.033 0.000 0.817 293 G HN 1.804 nan 8.290 nan 0.000 0.605 294 G N -0.087 108.663 108.800 -0.084 0.000 2.401 294 G HA2 0.449 4.443 3.960 0.057 0.000 0.283 294 G HA3 0.449 4.443 3.960 0.057 0.000 0.283 294 G C 1.768 176.661 174.900 -0.012 0.000 1.117 294 G CA 0.582 45.656 45.100 -0.043 0.000 1.051 294 G HN 3.219 nan 8.290 nan 0.000 0.510 295 G N 0.199 109.006 108.800 0.012 0.000 3.181 295 G HA2 0.184 4.178 3.960 0.057 0.000 0.322 295 G HA3 0.184 4.178 3.960 0.057 0.000 0.322 295 G C 1.797 176.708 174.900 0.018 0.000 1.246 295 G CA 2.805 47.915 45.100 0.016 0.000 0.989 295 G HN 2.684 nan 8.290 nan 0.000 0.607 296 G N -0.423 108.376 108.800 -0.002 0.000 2.435 296 G HA2 -0.247 3.747 3.960 0.057 0.000 0.245 296 G HA3 -0.247 3.747 3.960 0.057 0.000 0.245 296 G C 0.643 175.559 174.900 0.026 0.000 1.073 296 G CA 1.268 46.361 45.100 -0.012 0.000 0.638 296 G HN 2.101 nan 8.290 nan 0.000 0.521 297 R N -0.927 119.588 120.500 0.025 0.000 3.079 297 R HA -0.179 4.195 4.340 0.057 0.000 0.254 297 R C -0.976 175.337 176.300 0.022 0.000 0.900 297 R CA 0.995 57.111 56.100 0.027 0.000 0.641 297 R CB -1.649 28.685 30.300 0.058 0.000 1.307 297 R HN 0.572 nan 8.270 nan 0.000 0.477 298 P HA -0.167 nan 4.420 nan 0.000 0.217 298 P C 0.761 177.953 177.300 -0.181 0.000 1.150 298 P CA 1.290 64.329 63.100 -0.102 0.000 0.832 298 P CB 0.279 31.957 31.700 -0.036 0.000 0.787 299 E N 0.040 120.133 120.200 -0.179 0.000 2.110 299 E HA -0.107 4.278 4.350 0.057 0.000 0.193 299 E C 2.170 178.647 176.600 -0.205 0.000 0.988 299 E CA 0.808 57.070 56.400 -0.229 0.000 0.804 299 E CB -1.329 28.240 29.700 -0.219 0.000 0.745 299 E HN 0.026 nan 8.360 nan 0.000 0.458 300 V N 0.258 120.101 119.914 -0.118 0.000 2.380 300 V HA -0.271 3.883 4.120 0.057 0.000 0.251 300 V C 1.734 177.593 176.094 -0.392 0.000 1.063 300 V CA 1.743 63.922 62.300 -0.202 0.000 1.055 300 V CB -0.481 31.225 31.823 -0.194 0.000 0.657 300 V HN 0.242 nan 8.190 nan 0.000 0.455 301 F N -0.006 119.724 119.950 -0.366 0.000 2.416 301 F HA 0.141 4.703 4.527 0.058 0.000 0.296 301 F C 2.314 177.600 175.800 -0.857 0.000 1.099 301 F CA 0.880 58.613 58.000 -0.445 0.000 1.427 301 F CB -0.522 38.328 39.000 -0.249 0.000 1.079 301 F HN 0.065 nan 8.300 nan 0.000 0.536 302 A N -0.144 122.045 122.820 -1.053 0.000 1.969 302 A HA -0.105 4.249 4.320 0.057 0.000 0.218 302 A C 1.958 179.294 177.584 -0.414 0.000 1.169 302 A CA 1.011 52.386 52.037 -1.105 0.000 0.635 302 A CB -0.727 17.667 19.000 -1.011 0.000 0.810 302 A HN 0.227 nan 8.150 nan 0.000 0.445 303 L N -0.668 120.365 121.223 -0.316 0.000 2.633 303 L HA -0.010 4.364 4.340 0.057 0.000 0.235 303 L C 0.644 177.422 176.870 -0.153 0.000 1.163 303 L CA 1.041 55.769 54.840 -0.187 0.000 0.859 303 L CB -1.636 40.320 42.059 -0.171 0.000 0.973 303 L HN 0.485 nan 8.230 nan 0.000 0.451 304 R N -0.550 119.857 120.500 -0.155 0.000 3.158 304 R HA -0.176 4.198 4.340 0.057 0.000 0.244 304 R C -1.454 174.777 176.300 -0.115 0.000 0.900 304 R CA 0.334 56.385 56.100 -0.082 0.000 0.618 304 R CB -1.116 29.177 30.300 -0.011 0.000 1.061 304 R HN 0.354 nan 8.270 nan 0.000 0.471 305 P HA -0.042 nan 4.420 nan 0.000 0.233 305 P C -0.053 177.148 177.300 -0.165 0.000 1.167 305 P CA 1.231 64.215 63.100 -0.194 0.000 0.770 305 P CB 0.552 32.081 31.700 -0.284 0.000 0.837 306 A N 0.818 123.554 122.820 -0.140 0.000 2.393 306 A HA 0.565 4.919 4.320 0.057 0.000 0.306 306 A C -1.802 175.742 177.584 -0.067 0.000 1.050 306 A CA -1.718 50.256 52.037 -0.104 0.000 0.724 306 A CB 1.207 20.140 19.000 -0.111 0.000 1.248 306 A HN -0.193 nan 8.150 nan 0.000 0.424 307 P HA -0.097 nan 4.420 nan 0.000 0.216 307 P C 0.323 177.568 177.300 -0.091 0.000 1.153 307 P CA 1.439 64.506 63.100 -0.055 0.000 0.858 307 P CB 0.103 31.778 31.700 -0.043 0.000 0.789 308 V N 1.080 120.919 119.914 -0.124 0.000 2.444 308 V HA 0.262 4.416 4.120 0.057 0.000 0.294 308 V C -0.080 175.967 176.094 -0.079 0.000 1.022 308 V CA -0.475 61.735 62.300 -0.150 0.000 0.850 308 V CB 1.587 33.248 31.823 -0.270 0.000 0.992 308 V HN 0.008 nan 8.190 nan 0.000 0.426 309 Q N 3.342 123.129 119.800 -0.022 0.000 2.316 309 Q HA 0.723 5.098 4.340 0.057 0.000 0.264 309 Q C -1.245 174.731 176.000 -0.041 0.000 0.987 309 Q CA -0.633 55.190 55.803 0.033 0.000 0.852 309 Q CB 2.887 31.752 28.738 0.213 0.000 1.287 309 Q HN 0.595 nan 8.270 nan 0.000 0.448 310 V N 2.167 121.950 119.914 -0.220 0.000 2.555 310 V HA 0.341 4.495 4.120 0.057 0.000 0.302 310 V C -0.461 175.574 176.094 -0.098 0.000 1.038 310 V CA -1.011 61.111 62.300 -0.296 0.000 0.887 310 V CB 1.882 33.124 31.823 -0.969 0.000 0.991 310 V HN 0.672 nan 8.190 nan 0.000 0.434 311 N N 3.022 121.755 118.700 0.054 0.000 2.422 311 N HA 0.455 5.230 4.740 0.057 0.000 0.266 311 N C -1.475 174.271 175.510 0.393 0.000 1.007 311 N CA -0.353 52.789 53.050 0.154 0.000 0.941 311 N CB 1.049 39.597 38.487 0.103 0.000 1.115 311 N HN 0.746 nan 8.380 nan 0.000 0.492 312 W N 5.409 126.869 121.300 0.267 0.000 3.624 312 W HA 0.378 5.074 4.660 0.059 0.000 0.312 312 W C -0.913 175.840 176.519 0.389 0.000 1.203 312 W CA -0.909 56.664 57.345 0.381 0.000 1.225 312 W CB 0.304 30.137 29.460 0.622 0.000 1.321 312 W HN 0.438 nan 8.180 nan 0.000 0.506 313 L N 3.731 124.999 121.223 0.075 0.000 3.737 313 L HA -0.213 4.161 4.340 0.057 0.000 0.418 313 L C 0.326 177.206 176.870 0.016 0.000 1.216 313 L CA 2.494 57.248 54.840 -0.143 0.000 0.915 313 L CB -1.695 39.780 42.059 -0.973 0.000 1.834 313 L HN 0.873 nan 8.230 nan 0.000 0.943 314 A N -1.163 121.762 122.820 0.176 0.000 1.791 314 A HA 0.336 4.690 4.320 0.057 0.000 0.177 314 A C 0.025 177.797 177.584 0.314 0.000 1.851 314 A CA 0.404 52.555 52.037 0.190 0.000 1.130 314 A CB -0.082 18.999 19.000 0.136 0.000 0.958 314 A HN 0.406 nan 8.150 nan 0.000 0.637 315 Y N 3.778 124.191 120.300 0.189 0.000 2.367 315 Y HA 0.519 5.105 4.550 0.058 0.000 0.342 315 Y C -2.245 173.802 175.900 0.245 0.000 0.979 315 Y CA -2.594 55.665 58.100 0.264 0.000 1.161 315 Y CB 1.363 39.958 38.460 0.226 0.000 1.155 315 Y HN 0.181 nan 8.280 nan 0.000 0.503 316 P HA 0.240 nan 4.420 nan 0.000 0.228 316 P C -0.197 176.928 177.300 -0.293 0.000 1.748 316 P CA 0.553 63.658 63.100 0.009 0.000 0.909 316 P CB -0.136 31.822 31.700 0.431 0.000 1.882 317 G N -1.039 107.480 108.800 -0.468 0.000 2.548 317 G HA2 0.329 4.323 3.960 0.057 0.000 0.301 317 G HA3 0.329 4.323 3.960 0.057 0.000 0.301 317 G C -1.455 173.500 174.900 0.091 0.000 1.349 317 G CA -0.397 44.548 45.100 -0.258 0.000 0.792 317 G HN 0.045 nan 8.290 nan 0.000 0.481 318 T N -0.622 113.827 114.554 -0.174 0.000 2.884 318 T HA 0.390 4.774 4.350 0.057 0.000 0.298 318 T C 1.891 176.711 174.700 0.200 0.000 0.998 318 T CA 0.806 62.828 62.100 -0.129 0.000 1.124 318 T CB 0.820 69.428 68.868 -0.434 0.000 0.931 318 T HN 1.297 nan 8.240 nan 0.000 0.531 319 S N 3.434 119.228 115.700 0.156 0.000 2.428 319 S HA 0.140 4.645 4.470 0.057 0.000 0.230 319 S C 1.885 176.548 174.600 0.105 0.000 1.014 319 S CA 0.794 59.070 58.200 0.126 0.000 0.957 319 S CB -0.858 62.289 63.200 -0.088 0.000 0.784 319 S HN 1.768 nan 8.310 nan 0.000 0.499 320 G N 1.207 109.999 108.800 -0.014 0.000 2.283 320 G HA2 -0.045 3.949 3.960 0.057 0.000 0.280 320 G HA3 -0.045 3.949 3.960 0.057 0.000 0.280 320 G C 0.097 174.892 174.900 -0.176 0.000 1.029 320 G CA 0.301 45.358 45.100 -0.070 0.000 0.840 320 G HN 1.349 nan 8.290 nan 0.000 0.505 321 A N -0.658 121.950 122.820 -0.352 0.000 2.337 321 A HA 0.877 5.232 4.320 0.057 0.000 0.329 321 A C -0.751 176.453 177.584 -0.634 0.000 1.146 321 A CA -1.246 50.330 52.037 -0.769 0.000 0.800 321 A CB 1.434 19.426 19.000 -1.680 0.000 1.220 321 A HN 0.008 nan 8.150 nan 0.000 0.472 322 P HA -0.097 nan 4.420 nan 0.000 0.222 322 P C 0.794 178.073 177.300 -0.036 0.000 1.147 322 P CA 1.309 64.323 63.100 -0.143 0.000 0.790 322 P CB 0.015 31.728 31.700 0.021 0.000 0.780 323 W N -3.300 118.013 121.300 0.022 0.000 3.290 323 W HA 0.458 5.152 4.660 0.057 0.000 0.287 323 W C 0.170 176.693 176.519 0.007 0.000 1.288 323 W CA -0.329 57.028 57.345 0.019 0.000 1.725 323 W CB -0.939 28.549 29.460 0.046 0.000 1.103 323 W HN -0.242 nan 8.180 nan 0.000 0.670 324 M N 2.912 122.391 119.600 -0.202 0.000 2.088 324 M HA 0.197 4.712 4.480 0.057 0.000 0.346 324 M C 0.728 176.947 176.300 -0.134 0.000 1.111 324 M CA -0.336 54.892 55.300 -0.120 0.000 1.017 324 M CB 0.855 33.305 32.600 -0.251 0.000 1.568 324 M HN -0.005 nan 8.290 nan 0.000 0.445 325 D N 3.527 123.843 120.400 -0.140 0.000 2.149 325 D HA -0.025 4.649 4.640 0.057 0.000 0.206 325 D C -0.390 175.579 176.300 -0.552 0.000 0.967 325 D CA 1.535 55.307 54.000 -0.380 0.000 0.848 325 D CB 0.199 40.734 40.800 -0.441 0.000 0.998 325 D HN 0.481 nan 8.370 nan 0.000 0.474 326 Y N -0.607 119.687 120.300 -0.010 0.000 2.605 326 Y HA 0.411 4.995 4.550 0.057 0.000 0.343 326 Y C -0.148 175.754 175.900 0.004 0.000 1.036 326 Y CA -1.337 56.776 58.100 0.022 0.000 1.065 326 Y CB 1.953 40.419 38.460 0.010 0.000 1.288 326 Y HN -0.338 nan 8.280 nan 0.000 0.481 327 V N 0.802 120.833 119.914 0.195 0.000 2.735 327 V HA 0.649 4.804 4.120 0.057 0.000 0.310 327 V C -1.375 174.779 176.094 0.099 0.000 1.061 327 V CA -0.991 61.380 62.300 0.119 0.000 0.913 327 V CB 1.926 33.748 31.823 -0.002 0.000 1.005 327 V HN 0.568 nan 8.190 nan 0.000 0.428 328 L N 4.064 125.400 121.223 0.188 0.000 2.295 328 L HA 0.951 5.326 4.340 0.057 0.000 0.281 328 L C 0.287 177.321 176.870 0.274 0.000 1.018 328 L CA 0.615 55.562 54.840 0.178 0.000 0.841 328 L CB 0.551 42.659 42.059 0.082 0.000 1.218 328 L HN 0.997 nan 8.230 nan 0.000 0.424 329 G N 3.220 112.099 108.800 0.130 0.000 3.211 329 G HA2 0.670 4.665 3.960 0.057 0.000 0.167 329 G HA3 0.670 4.665 3.960 0.057 0.000 0.167 329 G C -1.443 173.598 174.900 0.234 0.000 1.212 329 G CA 0.029 45.225 45.100 0.159 0.000 0.928 329 G HN 0.674 nan 8.290 nan 0.000 0.607 330 D N -3.299 117.225 120.400 0.207 0.000 2.596 330 D HA 0.527 5.202 4.640 0.057 0.000 0.262 330 D C 0.865 177.277 176.300 0.187 0.000 1.210 330 D CA 0.103 54.223 54.000 0.201 0.000 0.873 330 D CB 1.144 42.083 40.800 0.232 0.000 1.408 330 D HN 0.617 nan 8.370 nan 0.000 0.441 331 A N -0.127 122.811 122.820 0.197 0.000 2.032 331 A HA -0.080 4.275 4.320 0.057 0.000 0.221 331 A C 1.625 179.330 177.584 0.202 0.000 1.165 331 A CA 1.353 53.489 52.037 0.166 0.000 0.645 331 A CB -0.938 18.151 19.000 0.149 0.000 0.807 331 A HN 0.534 nan 8.150 nan 0.000 0.453 332 F N -0.331 119.712 119.950 0.156 0.000 2.243 332 F HA 0.291 4.852 4.527 0.057 0.000 0.287 332 F C 2.505 178.357 175.800 0.087 0.000 1.067 332 F CA 0.971 59.063 58.000 0.154 0.000 1.304 332 F CB -0.282 38.844 39.000 0.210 0.000 1.087 332 F HN 0.193 nan 8.300 nan 0.000 0.513 333 A N -0.103 122.879 122.820 0.270 0.000 1.969 333 A HA -0.003 4.352 4.320 0.057 0.000 0.218 333 A C 1.224 178.816 177.584 0.014 0.000 1.169 333 A CA 1.057 53.055 52.037 -0.066 0.000 0.635 333 A CB -0.629 18.061 19.000 -0.516 0.000 0.810 333 A HN 0.372 nan 8.150 nan 0.000 0.445 334 L N 1.227 122.526 121.223 0.126 0.000 2.637 334 L HA 0.285 4.660 4.340 0.057 0.000 0.241 334 L C -2.599 174.292 176.870 0.033 0.000 1.398 334 L CA -2.339 52.575 54.840 0.122 0.000 0.895 334 L CB 1.764 43.830 42.059 0.012 0.000 1.183 334 L HN 0.117 nan 8.230 nan 0.000 0.497 335 P HA 0.213 nan 4.420 nan 0.000 0.274 335 P C -2.355 174.951 177.300 0.010 0.000 1.246 335 P CA -1.211 61.887 63.100 -0.004 0.000 0.795 335 P CB 0.502 32.168 31.700 -0.057 0.000 1.006 336 P HA -0.210 nan 4.420 nan 0.000 0.216 336 P C 1.520 178.821 177.300 0.002 0.000 1.154 336 P CA 2.447 65.543 63.100 -0.007 0.000 0.865 336 P CB -0.604 31.092 31.700 -0.007 0.000 0.789 337 A N -1.845 120.985 122.820 0.017 0.000 2.131 337 A HA -0.142 4.212 4.320 0.057 0.000 0.220 337 A C 2.006 179.652 177.584 0.104 0.000 1.158 337 A CA 1.277 53.337 52.037 0.038 0.000 0.665 337 A CB -1.263 17.765 19.000 0.046 0.000 0.795 337 A HN 0.167 nan 8.150 nan 0.000 0.460 338 L N -1.228 120.081 121.223 0.144 0.000 2.515 338 L HA 0.174 4.548 4.340 0.057 0.000 0.223 338 L C 1.906 178.951 176.870 0.291 0.000 1.079 338 L CA 0.817 55.852 54.840 0.325 0.000 0.857 338 L CB -0.199 42.054 42.059 0.324 0.000 1.050 338 L HN 0.391 nan 8.230 nan 0.000 0.476 339 E N 0.207 120.473 120.200 0.109 0.000 2.147 339 E HA -0.250 4.135 4.350 0.057 0.000 0.199 339 E C -0.696 175.921 176.600 0.028 0.000 1.005 339 E CA 1.632 58.068 56.400 0.060 0.000 0.810 339 E CB -0.873 28.803 29.700 -0.039 0.000 0.736 339 E HN 0.469 nan 8.360 nan 0.000 0.460 340 P HA -0.152 nan 4.420 nan 0.000 0.218 340 P C 0.708 177.825 177.300 -0.305 0.000 1.148 340 P CA 1.118 64.022 63.100 -0.326 0.000 0.822 340 P CB -0.058 31.288 31.700 -0.591 0.000 0.784 341 F N -3.486 116.508 119.950 0.074 0.000 2.748 341 F HA 0.055 4.617 4.527 0.058 0.000 0.299 341 F C 0.851 176.602 175.800 -0.081 0.000 1.154 341 F CA 0.042 58.038 58.000 -0.007 0.000 1.446 341 F CB -1.226 37.751 39.000 -0.039 0.000 1.112 341 F HN -0.103 nan 8.300 nan 0.000 0.584 342 Y N 0.401 120.765 120.300 0.107 0.000 2.350 342 Y HA 0.145 4.729 4.550 0.056 0.000 0.340 342 Y C 1.791 177.697 175.900 0.010 0.000 1.006 342 Y CA -0.564 57.570 58.100 0.055 0.000 1.166 342 Y CB 1.172 39.644 38.460 0.021 0.000 1.168 342 Y HN -0.028 nan 8.280 nan 0.000 0.502 343 S N 1.189 116.941 115.700 0.085 0.000 2.402 343 S HA -0.114 4.390 4.470 0.057 0.000 0.229 343 S C 0.526 175.142 174.600 0.027 0.000 1.021 343 S CA 0.671 58.887 58.200 0.027 0.000 0.974 343 S CB -0.328 62.853 63.200 -0.031 0.000 0.800 343 S HN 0.711 nan 8.310 nan 0.000 0.484 344 E N 1.545 121.783 120.200 0.065 0.000 2.314 344 E HA 0.118 4.502 4.350 0.057 0.000 0.262 344 E C -0.430 176.212 176.600 0.070 0.000 1.093 344 E CA -0.748 55.668 56.400 0.026 0.000 0.908 344 E CB 0.125 29.839 29.700 0.022 0.000 1.091 344 E HN 0.474 nan 8.360 nan 0.000 0.425 345 H N 1.408 120.444 119.070 -0.057 0.000 2.848 345 H HA 0.111 4.702 4.556 0.058 0.000 0.317 345 H C -0.636 174.788 175.328 0.161 0.000 1.046 345 H CA -0.282 55.799 56.048 0.055 0.000 1.470 345 H CB 0.679 30.480 29.762 0.064 0.000 1.483 345 H HN 0.166 nan 8.280 nan 0.000 0.548 346 V N 7.845 127.575 119.914 -0.307 0.000 2.508 346 V HA 0.089 4.244 4.120 0.057 0.000 0.281 346 V C 0.639 176.666 176.094 -0.113 0.000 1.041 346 V CA -0.155 62.024 62.300 -0.203 0.000 1.016 346 V CB 0.763 32.431 31.823 -0.257 0.000 0.984 346 V HN 0.533 nan 8.190 nan 0.000 0.478 347 L N 6.247 127.469 121.223 -0.002 0.000 2.346 347 L HA 0.712 5.086 4.340 0.057 0.000 0.274 347 L C -0.082 176.786 176.870 -0.003 0.000 1.007 347 L CA -0.754 54.092 54.840 0.011 0.000 0.818 347 L CB 2.141 44.195 42.059 -0.009 0.000 1.284 347 L HN 0.564 nan 8.230 nan 0.000 0.424 348 R N 2.416 122.915 120.500 -0.003 0.000 2.744 348 R HA 0.657 5.032 4.340 0.057 0.000 0.279 348 R C -1.223 175.075 176.300 -0.003 0.000 0.977 348 R CA -0.910 55.202 56.100 0.021 0.000 0.906 348 R CB 2.670 32.987 30.300 0.029 0.000 1.197 348 R HN 0.454 nan 8.270 nan 0.000 0.463 349 L N 1.968 123.190 121.223 -0.001 0.000 2.416 349 L HA 0.232 4.607 4.340 0.057 0.000 0.262 349 L C 1.680 178.512 176.870 -0.063 0.000 1.093 349 L CA -0.320 54.470 54.840 -0.083 0.000 0.801 349 L CB 1.132 43.081 42.059 -0.184 0.000 1.191 349 L HN 0.609 nan 8.230 nan 0.000 0.459 350 Q N 0.873 120.619 119.800 -0.090 0.000 2.061 350 Q HA -0.114 4.260 4.340 0.057 0.000 0.204 350 Q C 1.066 177.061 176.000 -0.009 0.000 0.984 350 Q CA 1.671 57.451 55.803 -0.039 0.000 0.846 350 Q CB -0.123 28.587 28.738 -0.048 0.000 0.902 350 Q HN 0.888 nan 8.270 nan 0.000 0.421 351 G N -0.162 108.580 108.800 -0.096 0.000 2.773 351 G HA2 0.536 4.530 3.960 0.057 0.000 0.186 351 G HA3 0.536 4.530 3.960 0.057 0.000 0.186 351 G C -0.758 173.836 174.900 -0.511 0.000 1.411 351 G CA -0.095 44.928 45.100 -0.128 0.000 1.054 351 G HN 0.375 nan 8.290 nan 0.000 0.579 352 A N -0.902 121.420 122.820 -0.830 0.000 2.425 352 A HA 0.443 4.797 4.320 0.057 0.000 0.242 352 A C 0.845 178.387 177.584 -0.071 0.000 1.077 352 A CA 0.158 51.775 52.037 -0.700 0.000 0.781 352 A CB -0.007 18.701 19.000 -0.486 0.000 1.020 352 A HN 1.109 nan 8.150 nan 0.000 0.494 353 F N -0.108 119.860 119.950 0.030 0.000 2.407 353 F HA 0.095 4.656 4.527 0.056 0.000 0.299 353 F C 0.917 177.043 175.800 0.543 0.000 1.097 353 F CA 0.766 58.959 58.000 0.321 0.000 1.422 353 F CB -0.320 38.929 39.000 0.416 0.000 1.067 353 F HN 0.584 nan 8.300 nan 0.000 0.539 354 Q N 3.969 123.340 119.800 -0.716 0.000 2.303 354 Q HA 0.320 4.694 4.340 0.057 0.000 0.257 354 Q C -2.497 173.296 176.000 -0.344 0.000 0.941 354 Q CA -2.547 52.830 55.803 -0.709 0.000 0.931 354 Q CB 1.489 29.605 28.738 -1.038 0.000 1.215 354 Q HN 0.086 nan 8.270 nan 0.000 0.437 355 P HA 0.253 nan 4.420 nan 0.000 0.297 355 P C -1.118 175.889 177.300 -0.488 0.000 1.307 355 P CA -0.431 62.162 63.100 -0.845 0.000 0.773 355 P CB 1.552 32.479 31.700 -1.288 0.000 1.265 356 S N -1.262 114.182 115.700 -0.426 0.000 2.565 356 S HA 0.233 4.738 4.470 0.057 0.000 0.269 356 S C -1.553 172.817 174.600 -0.383 0.000 1.153 356 S CA -0.683 57.332 58.200 -0.308 0.000 0.835 356 S CB 1.101 64.239 63.200 -0.103 0.000 1.122 356 S HN 0.366 nan 8.310 nan 0.000 0.462 357 D N 2.185 122.342 120.400 -0.405 0.000 2.435 357 D HA 0.226 4.901 4.640 0.057 0.000 0.230 357 D C 1.425 177.310 176.300 -0.691 0.000 1.215 357 D CA 0.064 53.812 54.000 -0.419 0.000 0.947 357 D CB 0.684 41.308 40.800 -0.294 0.000 1.048 357 D HN 0.633 nan 8.370 nan 0.000 0.512 358 T N -0.694 113.459 114.554 -0.669 0.000 3.252 358 T HA -0.057 4.327 4.350 0.057 0.000 0.250 358 T C 1.427 175.902 174.700 -0.376 0.000 1.123 358 T CA 0.367 61.913 62.100 -0.923 0.000 1.006 358 T CB -0.176 68.400 68.868 -0.487 0.000 0.992 358 T HN 0.207 nan 8.240 nan 0.000 0.547 359 S N -0.031 115.520 115.700 -0.248 0.000 2.540 359 S HA 0.256 4.760 4.470 0.057 0.000 0.218 359 S C 0.731 175.351 174.600 0.034 0.000 0.977 359 S CA -0.865 57.304 58.200 -0.053 0.000 0.918 359 S CB -0.233 62.927 63.200 -0.066 0.000 0.806 359 S HN 0.424 nan 8.310 nan 0.000 0.496 360 R N 1.722 122.235 120.500 0.023 0.000 2.351 360 R HA 0.356 4.731 4.340 0.057 0.000 0.318 360 R C -0.918 175.574 176.300 0.319 0.000 1.055 360 R CA -0.184 56.014 56.100 0.162 0.000 0.968 360 R CB 0.785 31.172 30.300 0.146 0.000 0.974 360 R HN 0.175 nan 8.270 nan 0.000 0.439 361 V N 4.717 124.733 119.914 0.170 0.000 2.498 361 V HA 0.104 4.258 4.120 0.057 0.000 0.279 361 V C 0.342 176.484 176.094 0.080 0.000 1.048 361 V CA -0.573 61.793 62.300 0.110 0.000 0.967 361 V CB 1.655 33.512 31.823 0.057 0.000 0.988 361 V HN 0.442 nan 8.190 nan 0.000 0.473 362 V N 5.546 125.472 119.914 0.020 0.000 2.320 362 V HA 0.500 4.654 4.120 0.057 0.000 0.265 362 V C 0.828 176.901 176.094 -0.035 0.000 1.048 362 V CA -0.271 62.018 62.300 -0.018 0.000 0.865 362 V CB 0.707 32.478 31.823 -0.086 0.000 1.043 362 V HN 1.033 nan 8.190 nan 0.000 0.474 363 A N 5.113 127.920 122.820 -0.021 0.000 2.346 363 A HA 0.416 4.771 4.320 0.057 0.000 0.255 363 A C 0.457 178.017 177.584 -0.040 0.000 1.113 363 A CA -0.353 51.670 52.037 -0.023 0.000 0.798 363 A CB 0.228 19.223 19.000 -0.009 0.000 1.073 363 A HN 0.682 nan 8.150 nan 0.000 0.502 364 E N 1.188 121.368 120.200 -0.034 0.000 2.289 364 E HA 0.338 4.722 4.350 0.057 0.000 0.278 364 E C -2.046 174.532 176.600 -0.037 0.000 1.032 364 E CA -1.406 54.966 56.400 -0.047 0.000 0.854 364 E CB 0.731 30.414 29.700 -0.028 0.000 1.046 364 E HN 0.484 nan 8.360 nan 0.000 0.409 365 P HA 0.363 nan 4.420 nan 0.000 0.279 365 P C -2.522 174.829 177.300 0.086 0.000 1.276 365 P CA -1.438 61.658 63.100 -0.007 0.000 0.801 365 P CB -0.077 31.581 31.700 -0.069 0.000 1.127 366 P HA 0.071 nan 4.420 nan 0.000 0.275 366 P C 0.169 177.625 177.300 0.261 0.000 1.266 366 P CA -0.189 63.000 63.100 0.149 0.000 0.793 366 P CB 0.044 31.813 31.700 0.116 0.000 1.074 367 S N 0.409 116.197 115.700 0.146 0.000 2.580 367 S HA 0.021 4.525 4.470 0.057 0.000 0.261 367 S C 1.304 175.853 174.600 -0.084 0.000 1.366 367 S CA -0.207 58.047 58.200 0.089 0.000 0.996 367 S CB 0.267 63.474 63.200 0.013 0.000 0.902 367 S HN 0.284 nan 8.310 nan 0.000 0.566 368 R N 0.650 120.926 120.500 -0.373 0.000 2.105 368 R HA -0.088 4.286 4.340 0.057 0.000 0.239 368 R C 2.340 178.453 176.300 -0.312 0.000 1.135 368 R CA 1.808 57.552 56.100 -0.593 0.000 0.967 368 R CB -1.748 28.233 30.300 -0.531 0.000 0.861 368 R HN 0.767 nan 8.270 nan 0.000 0.442 369 T N 1.932 116.374 114.554 -0.186 0.000 2.674 369 T HA -0.166 4.218 4.350 0.057 0.000 0.265 369 T C 1.815 176.468 174.700 -0.079 0.000 1.039 369 T CA 1.335 63.363 62.100 -0.120 0.000 1.150 369 T CB -0.162 68.659 68.868 -0.077 0.000 0.864 369 T HN 0.370 nan 8.240 nan 0.000 0.427 370 Q N -0.463 119.311 119.800 -0.043 0.000 2.500 370 Q HA -0.005 4.370 4.340 0.057 0.000 0.213 370 Q C 1.575 177.588 176.000 0.022 0.000 0.974 370 Q CA 0.544 56.347 55.803 0.001 0.000 0.918 370 Q CB -0.213 28.541 28.738 0.028 0.000 0.980 370 Q HN 0.486 nan 8.270 nan 0.000 0.505 371 C N -0.330 118.959 119.300 -0.018 0.000 2.780 371 C HA 0.305 4.799 4.460 0.057 0.000 0.287 371 C C 1.415 176.365 174.990 -0.067 0.000 1.288 371 C CA 0.114 59.150 59.018 0.030 0.000 1.713 371 C CB -0.627 27.137 27.740 0.040 0.000 1.955 371 C HN 0.723 nan 8.230 nan 0.000 0.613 372 G N 0.978 109.726 108.800 -0.087 0.000 2.179 372 G HA2 -0.220 3.775 3.960 0.057 0.000 0.257 372 G HA3 -0.220 3.775 3.960 0.057 0.000 0.257 372 G C -0.346 174.429 174.900 -0.208 0.000 1.010 372 G CA 0.043 45.085 45.100 -0.096 0.000 0.736 372 G HN 0.395 nan 8.290 nan 0.000 0.513 373 L N 1.506 122.539 121.223 -0.316 0.000 2.317 373 L HA 0.560 4.934 4.340 0.057 0.000 0.281 373 L C -1.573 175.131 176.870 -0.276 0.000 1.024 373 L CA -2.885 51.715 54.840 -0.400 0.000 0.810 373 L CB 1.279 42.955 42.059 -0.639 0.000 1.240 373 L HN -0.055 nan 8.230 nan 0.000 0.427 374 P HA 0.023 nan 4.420 nan 0.000 0.264 374 P C 0.139 177.337 177.300 -0.170 0.000 1.193 374 P CA -0.115 62.890 63.100 -0.157 0.000 0.763 374 P CB 0.872 32.497 31.700 -0.125 0.000 0.810 375 E N 1.001 121.118 120.200 -0.138 0.000 2.333 375 E HA -0.116 4.268 4.350 0.057 0.000 0.198 375 E C 0.477 177.013 176.600 -0.107 0.000 1.007 375 E CA 1.206 57.527 56.400 -0.131 0.000 0.845 375 E CB 0.278 29.920 29.700 -0.096 0.000 0.766 375 E HN 0.532 nan 8.360 nan 0.000 0.507 376 Q N -0.583 119.160 119.800 -0.095 0.000 2.377 376 Q HA 0.561 4.936 4.340 0.057 0.000 0.271 376 Q C 0.011 175.964 176.000 -0.078 0.000 1.077 376 Q CA -0.304 55.454 55.803 -0.075 0.000 0.820 376 Q CB 2.513 31.216 28.738 -0.058 0.000 1.347 376 Q HN 0.169 nan 8.270 nan 0.000 0.444 377 G N -0.256 108.504 108.800 -0.067 0.000 2.539 377 G HA2 -0.103 3.891 3.960 0.057 0.000 0.686 377 G HA3 -0.103 3.891 3.960 0.057 0.000 0.686 377 G C -1.218 173.645 174.900 -0.062 0.000 1.258 377 G CA -0.963 44.099 45.100 -0.062 0.000 0.846 377 G HN 0.361 nan 8.290 nan 0.000 0.647 378 V N 0.711 120.596 119.914 -0.048 0.000 2.508 378 V HA 0.379 4.533 4.120 0.057 0.000 0.281 378 V C 0.899 176.973 176.094 -0.034 0.000 1.041 378 V CA -0.306 61.973 62.300 -0.036 0.000 1.016 378 V CB 1.361 33.168 31.823 -0.027 0.000 0.984 378 V HN 0.818 nan 8.190 nan 0.000 0.478 379 V N 7.909 127.814 119.914 -0.016 0.000 2.334 379 V HA 0.334 4.488 4.120 0.057 0.000 0.267 379 V C 0.115 176.240 176.094 0.052 0.000 1.040 379 V CA -0.272 62.028 62.300 -0.001 0.000 0.866 379 V CB 0.960 32.787 31.823 0.006 0.000 1.019 379 V HN 0.577 nan 8.190 nan 0.000 0.468 380 L N 5.735 126.973 121.223 0.024 0.000 2.307 380 L HA 0.676 5.051 4.340 0.057 0.000 0.282 380 L C 0.065 176.925 176.870 -0.017 0.000 1.051 380 L CA -0.252 54.591 54.840 0.005 0.000 0.804 380 L CB 1.467 43.515 42.059 -0.018 0.000 1.197 380 L HN 0.857 nan 8.230 nan 0.000 0.431 381 C N 1.639 120.867 119.300 -0.121 0.000 2.994 381 C HA 0.822 5.316 4.460 0.057 0.000 0.304 381 C C -0.593 173.967 174.990 -0.718 0.000 1.273 381 C CA -1.232 57.578 59.018 -0.347 0.000 1.537 381 C CB 1.110 28.567 27.740 -0.472 0.000 2.001 381 C HN 1.016 nan 8.230 nan 0.000 0.471 382 C N 3.509 122.338 119.300 -0.786 0.000 2.892 382 C HA 0.568 5.063 4.460 0.057 0.000 0.360 382 C C -0.372 174.389 174.990 -0.382 0.000 1.054 382 C CA -0.535 57.970 59.018 -0.855 0.000 1.326 382 C CB -0.813 26.665 27.740 -0.436 0.000 1.806 382 C HN 0.929 nan 8.230 nan 0.000 0.490 383 F N 3.766 123.652 119.950 -0.107 0.000 2.798 383 F HA 0.277 4.843 4.527 0.065 0.000 0.291 383 F C 1.198 177.042 175.800 0.074 0.000 1.174 383 F CA -0.557 57.465 58.000 0.036 0.000 1.392 383 F CB -0.068 39.038 39.000 0.178 0.000 0.966 383 F HN 0.596 nan 8.300 nan 0.000 0.509 384 N N 0.903 119.711 118.700 0.181 0.000 2.467 384 N HA 0.002 4.777 4.740 0.057 0.000 0.262 384 N C 0.040 175.479 175.510 -0.118 0.000 1.234 384 N CA -0.103 52.972 53.050 0.041 0.000 0.952 384 N CB 0.370 38.850 38.487 -0.011 0.000 1.158 384 N HN 0.115 nan 8.380 nan 0.000 0.463 385 N N -0.110 118.404 118.700 -0.311 0.000 2.395 385 N HA -0.085 4.689 4.740 0.057 0.000 0.246 385 N C 1.162 176.371 175.510 -0.502 0.000 1.246 385 N CA 0.210 52.972 53.050 -0.480 0.000 0.879 385 N CB 0.574 38.532 38.487 -0.881 0.000 1.098 385 N HN 0.551 nan 8.380 nan 0.000 0.444 386 S N 2.915 118.425 115.700 -0.316 0.000 2.387 386 S HA -0.250 4.255 4.470 0.057 0.000 0.230 386 S C 1.817 176.341 174.600 -0.128 0.000 1.035 386 S CA 1.588 59.691 58.200 -0.162 0.000 1.014 386 S CB -0.805 62.343 63.200 -0.087 0.000 0.836 386 S HN 0.761 nan 8.310 nan 0.000 0.466 387 Y N 1.214 121.473 120.300 -0.070 0.000 2.497 387 Y HA 0.319 4.908 4.550 0.065 0.000 0.292 387 Y C 1.925 177.776 175.900 -0.083 0.000 1.137 387 Y CA 0.460 58.521 58.100 -0.066 0.000 1.285 387 Y CB -0.516 37.898 38.460 -0.077 0.000 0.991 387 Y HN 0.151 nan 8.280 nan 0.000 0.556 388 K N 0.103 120.324 120.400 -0.298 0.000 2.400 388 K HA 0.106 4.460 4.320 0.057 0.000 0.194 388 K C -0.217 176.321 176.600 -0.103 0.000 1.033 388 K CA 0.016 56.181 56.287 -0.203 0.000 1.021 388 K CB 0.165 32.439 32.500 -0.377 0.000 0.808 388 K HN 0.156 nan 8.250 nan 0.000 0.505 389 L N 3.280 124.465 121.223 -0.064 0.000 2.389 389 L HA 0.076 4.450 4.340 0.057 0.000 0.265 389 L C -0.337 176.558 176.870 0.041 0.000 1.167 389 L CA -0.260 54.588 54.840 0.013 0.000 1.045 389 L CB -0.725 41.382 42.059 0.081 0.000 1.351 389 L HN 0.164 nan 8.230 nan 0.000 0.419 390 N N 1.966 120.572 118.700 -0.157 0.000 2.491 390 N HA 0.477 5.251 4.740 0.057 0.000 0.279 390 N C -2.126 172.859 175.510 -0.876 0.000 1.236 390 N CA -2.037 50.725 53.050 -0.481 0.000 0.982 390 N CB -0.234 38.028 38.487 -0.376 0.000 1.194 390 N HN -0.093 nan 8.380 nan 0.000 0.582 391 P HA -0.248 nan 4.420 nan 0.000 0.215 391 P C 1.391 178.390 177.300 -0.502 0.000 1.157 391 P CA 1.817 64.156 63.100 -1.268 0.000 0.874 391 P CB 0.130 31.270 31.700 -0.934 0.000 0.790 392 Q N -0.396 119.197 119.800 -0.345 0.000 2.030 392 Q HA -0.175 4.200 4.340 0.057 0.000 0.204 392 Q C 2.060 177.980 176.000 -0.133 0.000 0.986 392 Q CA 2.479 58.180 55.803 -0.169 0.000 0.843 392 Q CB -0.548 28.116 28.738 -0.123 0.000 0.904 392 Q HN 0.114 nan 8.270 nan 0.000 0.420 393 S N 0.211 115.818 115.700 -0.155 0.000 2.368 393 S HA -0.127 4.378 4.470 0.057 0.000 0.225 393 S C 1.916 176.490 174.600 -0.043 0.000 1.030 393 S CA 1.238 59.367 58.200 -0.120 0.000 0.999 393 S CB -0.153 62.988 63.200 -0.098 0.000 0.844 393 S HN 0.379 nan 8.310 nan 0.000 0.459 394 M N 1.452 121.035 119.600 -0.029 0.000 2.086 394 M HA -0.015 4.500 4.480 0.057 0.000 0.261 394 M C 2.552 179.009 176.300 0.261 0.000 1.067 394 M CA 1.516 56.893 55.300 0.128 0.000 1.116 394 M CB -1.641 31.038 32.600 0.132 0.000 1.348 394 M HN 0.377 nan 8.290 nan 0.000 0.407 395 A N -0.095 122.888 122.820 0.272 0.000 1.892 395 A HA -0.239 4.115 4.320 0.057 0.000 0.218 395 A C 2.305 179.987 177.584 0.163 0.000 1.188 395 A CA 2.117 54.324 52.037 0.284 0.000 0.631 395 A CB -0.767 18.360 19.000 0.212 0.000 0.822 395 A HN 0.449 nan 8.150 nan 0.000 0.447 396 R N -1.129 119.432 120.500 0.102 0.000 2.097 396 R HA -0.183 4.192 4.340 0.057 0.000 0.236 396 R C 2.414 178.851 176.300 0.228 0.000 1.135 396 R CA 2.337 58.511 56.100 0.123 0.000 0.934 396 R CB -0.388 29.879 30.300 -0.054 0.000 0.846 396 R HN 0.637 nan 8.270 nan 0.000 0.431 397 M N -0.217 119.508 119.600 0.209 0.000 2.086 397 M HA -0.192 4.322 4.480 0.057 0.000 0.261 397 M C 2.078 178.461 176.300 0.138 0.000 1.067 397 M CA 1.288 56.706 55.300 0.196 0.000 1.116 397 M CB -0.354 32.331 32.600 0.142 0.000 1.348 397 M HN 0.117 nan 8.290 nan 0.000 0.407 398 L N 0.735 122.046 121.223 0.147 0.000 2.042 398 L HA -0.133 4.241 4.340 0.057 0.000 0.210 398 L C 2.849 179.762 176.870 0.072 0.000 1.076 398 L CA 2.085 56.990 54.840 0.109 0.000 0.749 398 L CB -1.547 40.590 42.059 0.129 0.000 0.893 398 L HN 0.281 nan 8.230 nan 0.000 0.432 399 A N -1.133 121.739 122.820 0.086 0.000 1.948 399 A HA -0.184 4.170 4.320 0.057 0.000 0.220 399 A C 2.394 180.007 177.584 0.048 0.000 1.177 399 A CA 2.020 54.094 52.037 0.062 0.000 0.636 399 A CB -0.838 18.211 19.000 0.081 0.000 0.815 399 A HN 0.255 nan 8.150 nan 0.000 0.449 400 V N -0.430 119.519 119.914 0.059 0.000 2.379 400 V HA -0.216 3.938 4.120 0.057 0.000 0.245 400 V C 2.522 178.622 176.094 0.009 0.000 1.044 400 V CA 1.790 64.104 62.300 0.023 0.000 1.036 400 V CB -0.741 31.086 31.823 0.007 0.000 0.664 400 V HN 0.548 nan 8.190 nan 0.000 0.453 401 L N -0.260 120.973 121.223 0.017 0.000 1.994 401 L HA -0.201 4.173 4.340 0.057 0.000 0.208 401 L C 2.746 179.615 176.870 -0.003 0.000 1.071 401 L CA 2.076 56.919 54.840 0.004 0.000 0.745 401 L CB -0.574 41.492 42.059 0.011 0.000 0.892 401 L HN 0.214 nan 8.230 nan 0.000 0.431 402 R N -0.001 120.499 120.500 -0.000 0.000 2.139 402 R HA -0.251 4.123 4.340 0.057 0.000 0.243 402 R C 2.060 178.353 176.300 -0.011 0.000 1.145 402 R CA 1.987 58.080 56.100 -0.011 0.000 0.976 402 R CB -0.089 30.203 30.300 -0.013 0.000 0.866 402 R HN 0.404 nan 8.270 nan 0.000 0.449 403 E N -0.675 119.521 120.200 -0.006 0.000 2.472 403 E HA 0.039 4.423 4.350 0.057 0.000 0.196 403 E C -0.898 175.694 176.600 -0.013 0.000 1.033 403 E CA 0.037 56.432 56.400 -0.009 0.000 0.886 403 E CB 0.772 30.470 29.700 -0.004 0.000 0.944 403 E HN 0.062 nan 8.360 nan 0.000 0.492 404 V N 3.153 123.059 119.914 -0.014 0.000 2.385 404 V HA 0.307 4.461 4.120 0.057 0.000 0.277 404 V C -2.436 173.646 176.094 -0.020 0.000 1.012 404 V CA -1.814 60.475 62.300 -0.018 0.000 0.832 404 V CB 1.161 32.972 31.823 -0.021 0.000 1.028 404 V HN 0.103 nan 8.190 nan 0.000 0.436 405 P HA 0.229 nan 4.420 nan 0.000 0.268 405 P C 0.267 177.552 177.300 -0.026 0.000 1.208 405 P CA 0.482 63.569 63.100 -0.022 0.000 0.777 405 P CB 0.395 32.083 31.700 -0.020 0.000 0.875 406 D N -1.902 118.481 120.400 -0.029 0.000 2.911 406 D HA -0.144 4.530 4.640 0.057 0.000 0.199 406 D C -0.220 176.055 176.300 -0.042 0.000 1.041 406 D CA 1.859 55.837 54.000 -0.036 0.000 1.013 406 D CB -1.509 39.270 40.800 -0.035 0.000 1.093 406 D HN 0.472 nan 8.370 nan 0.000 0.431 407 S N -0.769 114.910 115.700 -0.036 0.000 2.654 407 S HA 0.767 5.271 4.470 0.057 0.000 0.283 407 S C 0.127 174.702 174.600 -0.043 0.000 1.180 407 S CA -0.170 58.007 58.200 -0.039 0.000 1.021 407 S CB 2.568 65.751 63.200 -0.029 0.000 1.018 407 S HN 0.583 nan 8.310 nan 0.000 0.532 408 V N -0.697 119.186 119.914 -0.052 0.000 3.040 408 V HA 0.785 4.940 4.120 0.057 0.000 0.312 408 V C -1.103 174.966 176.094 -0.042 0.000 1.115 408 V CA -1.161 61.103 62.300 -0.060 0.000 0.998 408 V CB 1.460 33.221 31.823 -0.104 0.000 1.042 408 V HN 0.875 nan 8.190 nan 0.000 0.433 409 L N 2.891 124.089 121.223 -0.043 0.000 2.294 409 L HA 0.616 4.991 4.340 0.057 0.000 0.283 409 L C -1.135 175.732 176.870 -0.005 0.000 1.015 409 L CA -0.447 54.377 54.840 -0.027 0.000 0.831 409 L CB 1.085 43.124 42.059 -0.034 0.000 1.217 409 L HN 0.912 nan 8.230 nan 0.000 0.420 410 W N 7.553 128.753 121.300 -0.168 0.000 2.332 410 W HA 0.528 5.140 4.660 -0.081 0.000 0.306 410 W C -1.308 175.153 176.519 -0.097 0.000 1.149 410 W CA -1.047 56.231 57.345 -0.111 0.000 1.271 410 W CB 0.620 30.064 29.460 -0.027 0.000 1.243 410 W HN 0.419 nan 8.180 nan 0.000 0.459 411 L N 6.017 127.311 121.223 0.119 0.000 2.323 411 L HA 0.437 4.812 4.340 0.057 0.000 0.265 411 L C -0.481 176.529 176.870 0.234 0.000 1.012 411 L CA -1.635 53.257 54.840 0.086 0.000 0.820 411 L CB 1.646 43.662 42.059 -0.071 0.000 1.334 411 L HN 0.070 nan 8.230 nan 0.000 0.427 412 L N 1.322 122.696 121.223 0.252 0.000 2.315 412 L HA 0.236 4.611 4.340 0.057 0.000 0.283 412 L C 0.511 177.497 176.870 0.193 0.000 1.089 412 L CA 0.544 55.453 54.840 0.115 0.000 0.833 412 L CB 1.117 43.193 42.059 0.028 0.000 1.170 412 L HN 0.610 nan 8.230 nan 0.000 0.442 413 S N 3.546 119.372 115.700 0.209 0.000 2.563 413 S HA 0.366 4.870 4.470 0.057 0.000 0.294 413 S C 0.516 175.130 174.600 0.023 0.000 1.279 413 S CA 0.126 58.426 58.200 0.166 0.000 1.069 413 S CB -0.305 62.949 63.200 0.090 0.000 0.828 413 S HN 0.980 nan 8.310 nan 0.000 0.497 414 G N 4.685 113.458 108.800 -0.044 0.000 2.531 414 G HA2 0.630 4.624 3.960 0.057 0.000 0.313 414 G HA3 0.630 4.624 3.960 0.057 0.000 0.313 414 G C -2.525 172.312 174.900 -0.105 0.000 1.238 414 G CA -1.335 43.718 45.100 -0.078 0.000 0.994 414 G HN 0.647 nan 8.290 nan 0.000 0.493 415 P HA 0.315 nan 4.420 nan 0.000 0.277 415 P C 1.085 178.318 177.300 -0.110 0.000 1.276 415 P CA 0.812 63.854 63.100 -0.097 0.000 0.788 415 P CB 0.423 32.053 31.700 -0.117 0.000 1.114 416 G N 1.249 110.012 108.800 -0.063 0.000 2.652 416 G HA2 -0.312 3.683 3.960 0.057 0.000 0.318 416 G HA3 -0.312 3.683 3.960 0.057 0.000 0.318 416 G C 0.202 175.051 174.900 -0.085 0.000 1.295 416 G CA 0.611 45.681 45.100 -0.050 0.000 0.999 416 G HN 0.663 nan 8.290 nan 0.000 0.548 417 E N 1.221 121.361 120.200 -0.100 0.000 2.609 417 E HA 0.524 4.909 4.350 0.057 0.000 0.208 417 E C 1.964 178.457 176.600 -0.177 0.000 1.013 417 E CA 0.315 56.639 56.400 -0.126 0.000 1.093 417 E CB 0.405 30.050 29.700 -0.092 0.000 1.129 417 E HN 0.688 nan 8.360 nan 0.000 0.450 418 A N 1.357 124.058 122.820 -0.197 0.000 1.892 418 A HA -0.276 4.079 4.320 0.057 0.000 0.218 418 A C 1.531 178.949 177.584 -0.276 0.000 1.188 418 A CA 1.994 53.895 52.037 -0.227 0.000 0.631 418 A CB -0.294 18.590 19.000 -0.192 0.000 0.822 418 A HN 0.153 nan 8.150 nan 0.000 0.447 419 D N 0.075 120.230 120.400 -0.408 0.000 2.104 419 D HA -0.072 4.603 4.640 0.057 0.000 0.194 419 D C 2.204 178.254 176.300 -0.417 0.000 0.994 419 D CA 1.737 55.273 54.000 -0.774 0.000 0.830 419 D CB -0.413 39.706 40.800 -1.136 0.000 0.959 419 D HN 0.465 nan 8.370 nan 0.000 0.452 420 A N 0.854 123.511 122.820 -0.273 0.000 1.883 420 A HA -0.220 4.135 4.320 0.057 0.000 0.217 420 A C 2.123 179.644 177.584 -0.106 0.000 1.186 420 A CA 1.535 53.484 52.037 -0.146 0.000 0.624 420 A CB -0.481 18.447 19.000 -0.120 0.000 0.822 420 A HN 0.121 nan 8.150 nan 0.000 0.444 421 R N -1.228 119.180 120.500 -0.154 0.000 2.096 421 R HA -0.097 4.278 4.340 0.057 0.000 0.235 421 R C 1.894 178.115 176.300 -0.131 0.000 1.127 421 R CA 1.236 57.230 56.100 -0.176 0.000 0.968 421 R CB -0.503 29.612 30.300 -0.308 0.000 0.861 421 R HN 0.387 nan 8.270 nan 0.000 0.440 422 L N 1.023 122.191 121.223 -0.093 0.000 2.056 422 L HA -0.107 4.268 4.340 0.057 0.000 0.207 422 L C 2.322 179.334 176.870 0.235 0.000 1.078 422 L CA 1.623 56.514 54.840 0.086 0.000 0.749 422 L CB -0.534 41.654 42.059 0.216 0.000 0.901 422 L HN 0.079 nan 8.230 nan 0.000 0.433 423 R N -0.854 119.767 120.500 0.202 0.000 2.096 423 R HA -0.107 4.267 4.340 0.057 0.000 0.235 423 R C 2.198 178.600 176.300 0.170 0.000 1.127 423 R CA 1.239 57.467 56.100 0.214 0.000 0.968 423 R CB -0.703 29.696 30.300 0.165 0.000 0.861 423 R HN 0.356 nan 8.270 nan 0.000 0.440 424 A N 1.650 124.540 122.820 0.116 0.000 1.845 424 A HA -0.211 4.143 4.320 0.057 0.000 0.215 424 A C 2.025 179.719 177.584 0.183 0.000 1.195 424 A CA 1.305 53.407 52.037 0.109 0.000 0.616 424 A CB -0.795 18.236 19.000 0.051 0.000 0.832 424 A HN 0.346 nan 8.150 nan 0.000 0.443 425 F N 1.125 121.104 119.950 0.049 0.000 2.091 425 F HA -0.205 4.351 4.527 0.049 0.000 0.299 425 F C 2.547 178.429 175.800 0.137 0.000 1.103 425 F CA 1.472 59.533 58.000 0.102 0.000 1.228 425 F CB -0.557 38.510 39.000 0.111 0.000 0.984 425 F HN 0.268 nan 8.300 nan 0.000 0.477 426 A N -0.216 122.738 122.820 0.224 0.000 1.892 426 A HA -0.318 4.036 4.320 0.057 0.000 0.218 426 A C 2.419 180.006 177.584 0.005 0.000 1.188 426 A CA 2.058 54.162 52.037 0.110 0.000 0.631 426 A CB -1.608 17.503 19.000 0.185 0.000 0.822 426 A HN 0.698 nan 8.150 nan 0.000 0.447 427 H N -0.108 118.954 119.070 -0.013 0.000 2.293 427 H HA -0.086 4.502 4.556 0.054 0.000 0.300 427 H C 2.261 177.545 175.328 -0.074 0.000 1.082 427 H CA 1.819 57.851 56.048 -0.027 0.000 1.308 427 H CB -0.258 29.504 29.762 -0.000 0.000 1.375 427 H HN 0.413 nan 8.280 nan 0.000 0.495 428 A N 0.252 123.061 122.820 -0.019 0.000 2.131 428 A HA -0.159 4.196 4.320 0.057 0.000 0.220 428 A C 2.125 179.567 177.584 -0.237 0.000 1.158 428 A CA 1.502 53.479 52.037 -0.101 0.000 0.665 428 A CB -0.255 18.711 19.000 -0.057 0.000 0.795 428 A HN 0.410 nan 8.150 nan 0.000 0.460 429 Q N -1.437 118.171 119.800 -0.320 0.000 2.247 429 Q HA 0.342 4.716 4.340 0.057 0.000 0.204 429 Q C 0.840 176.724 176.000 -0.193 0.000 0.872 429 Q CA 0.701 56.316 55.803 -0.314 0.000 0.951 429 Q CB 0.069 28.539 28.738 -0.447 0.000 1.099 429 Q HN 0.900 nan 8.270 nan 0.000 0.501 430 G N -0.616 108.058 108.800 -0.210 0.000 2.171 430 G HA2 -0.178 3.817 3.960 0.057 0.000 0.238 430 G HA3 -0.178 3.817 3.960 0.057 0.000 0.238 430 G C -0.502 174.319 174.900 -0.132 0.000 1.039 430 G CA 0.223 45.217 45.100 -0.177 0.000 0.759 430 G HN 0.193 nan 8.290 nan 0.000 0.501 431 V N -0.121 119.719 119.914 -0.123 0.000 2.638 431 V HA 0.486 4.641 4.120 0.057 0.000 0.306 431 V C 0.024 176.112 176.094 -0.011 0.000 1.052 431 V CA -0.813 61.456 62.300 -0.051 0.000 0.885 431 V CB 1.997 33.813 31.823 -0.012 0.000 0.999 431 V HN 0.374 nan 8.190 nan 0.000 0.424 432 D N 3.685 124.092 120.400 0.012 0.000 2.402 432 D HA 0.154 4.828 4.640 0.057 0.000 0.268 432 D C 1.315 177.668 176.300 0.088 0.000 1.294 432 D CA 0.680 54.719 54.000 0.066 0.000 0.945 432 D CB 1.383 42.206 40.800 0.039 0.000 1.112 432 D HN 0.756 nan 8.370 nan 0.000 0.517 433 A N 4.585 127.493 122.820 0.147 0.000 2.204 433 A HA -0.230 4.124 4.320 0.057 0.000 0.220 433 A C 1.791 179.442 177.584 0.111 0.000 1.165 433 A CA 1.197 53.319 52.037 0.141 0.000 0.671 433 A CB -0.264 18.827 19.000 0.152 0.000 0.792 433 A HN 0.637 nan 8.150 nan 0.000 0.473 434 Q N -0.791 119.056 119.800 0.079 0.000 2.403 434 Q HA 0.063 4.438 4.340 0.057 0.000 0.203 434 Q C 1.417 177.431 176.000 0.024 0.000 0.932 434 Q CA 0.395 56.231 55.803 0.055 0.000 0.945 434 Q CB 0.013 28.774 28.738 0.038 0.000 1.045 434 Q HN 0.745 nan 8.270 nan 0.000 0.511 435 R N -0.441 120.070 120.500 0.018 0.000 2.297 435 R HA 0.118 4.492 4.340 0.057 0.000 0.197 435 R C -0.214 176.060 176.300 -0.043 0.000 0.943 435 R CA -0.086 56.005 56.100 -0.016 0.000 1.038 435 R CB 0.368 30.662 30.300 -0.010 0.000 0.957 435 R HN -0.018 nan 8.270 nan 0.000 0.484 436 L N 1.179 122.380 121.223 -0.037 0.000 2.265 436 L HA 0.223 4.598 4.340 0.057 0.000 0.288 436 L C -0.429 176.309 176.870 -0.219 0.000 1.058 436 L CA -0.204 54.540 54.840 -0.160 0.000 0.809 436 L CB 1.779 43.762 42.059 -0.127 0.000 1.179 436 L HN -0.233 nan 8.230 nan 0.000 0.429 437 V N 4.631 124.388 119.914 -0.262 0.000 2.417 437 V HA 0.433 4.588 4.120 0.057 0.000 0.291 437 V C -0.468 175.582 176.094 -0.074 0.000 1.024 437 V CA -0.578 61.661 62.300 -0.102 0.000 0.861 437 V CB 1.335 33.089 31.823 -0.114 0.000 0.985 437 V HN 0.355 nan 8.190 nan 0.000 0.436 438 F N 4.713 124.806 119.950 0.237 0.000 2.404 438 F HA 0.566 5.174 4.527 0.135 0.000 0.354 438 F C 0.311 176.242 175.800 0.219 0.000 1.122 438 F CA -0.420 57.712 58.000 0.219 0.000 1.080 438 F CB 1.579 40.646 39.000 0.112 0.000 1.131 438 F HN 0.392 nan 8.300 nan 0.000 0.471 439 M N 6.266 126.063 119.600 0.327 0.000 2.233 439 M HA 0.513 5.028 4.480 0.057 0.000 0.355 439 M C -2.739 173.586 176.300 0.042 0.000 1.191 439 M CA -1.626 53.770 55.300 0.160 0.000 1.101 439 M CB 1.594 34.115 32.600 -0.130 0.000 1.592 439 M HN 0.212 nan 8.290 nan 0.000 0.461 440 P HA 0.197 nan 4.420 nan 0.000 0.277 440 P C -1.748 175.508 177.300 -0.074 0.000 1.240 440 P CA -0.452 62.645 63.100 -0.005 0.000 0.798 440 P CB 0.560 32.270 31.700 0.017 0.000 0.979 441 K N 2.593 122.942 120.400 -0.085 0.000 2.447 441 K HA 0.169 4.523 4.320 0.057 0.000 0.281 441 K C -0.929 175.615 176.600 -0.094 0.000 1.031 441 K CA 0.657 56.866 56.287 -0.131 0.000 1.019 441 K CB -0.633 31.801 32.500 -0.109 0.000 0.918 441 K HN 0.329 nan 8.250 nan 0.000 0.476 442 L N 5.744 126.900 121.223 -0.111 0.000 2.303 442 L HA 0.563 4.937 4.340 0.057 0.000 0.266 442 L C -2.052 174.809 176.870 -0.015 0.000 1.011 442 L CA -2.730 52.084 54.840 -0.043 0.000 0.818 442 L CB 1.775 43.821 42.059 -0.022 0.000 1.326 442 L HN 0.617 nan 8.230 nan 0.000 0.435 443 P HA 0.034 nan 4.420 nan 0.000 0.268 443 P C 0.131 177.506 177.300 0.125 0.000 1.205 443 P CA 0.009 63.146 63.100 0.062 0.000 0.771 443 P CB 0.499 32.232 31.700 0.056 0.000 0.858 444 H N 5.575 124.688 119.070 0.072 0.000 2.297 444 H HA -0.210 4.383 4.556 0.061 0.000 0.289 444 H C -0.896 174.547 175.328 0.193 0.000 1.105 444 H CA 3.007 59.163 56.048 0.180 0.000 1.219 444 H CB -1.468 28.372 29.762 0.131 0.000 1.351 444 H HN 0.463 nan 8.280 nan 0.000 0.481 445 P HA -0.162 nan 4.420 nan 0.000 0.215 445 P C 1.317 178.608 177.300 -0.016 0.000 1.157 445 P CA 2.219 65.342 63.100 0.038 0.000 0.874 445 P CB -0.051 31.693 31.700 0.073 0.000 0.790 446 Q N -2.108 117.701 119.800 0.015 0.000 2.119 446 Q HA -0.202 4.173 4.340 0.057 0.000 0.201 446 Q C 2.227 178.207 176.000 -0.035 0.000 0.972 446 Q CA 1.292 57.095 55.803 0.000 0.000 0.847 446 Q CB -0.753 27.998 28.738 0.021 0.000 0.903 446 Q HN 0.363 nan 8.270 nan 0.000 0.433 447 Y N 0.990 121.185 120.300 -0.176 0.000 2.145 447 Y HA -0.189 4.390 4.550 0.049 0.000 0.286 447 Y C 1.803 177.533 175.900 -0.283 0.000 1.145 447 Y CA 1.116 59.040 58.100 -0.292 0.000 1.148 447 Y CB -0.415 37.871 38.460 -0.290 0.000 0.981 447 Y HN -0.005 nan 8.280 nan 0.000 0.507 448 L N 0.375 121.243 121.223 -0.591 0.000 2.043 448 L HA -0.278 4.097 4.340 0.057 0.000 0.212 448 L C 2.755 179.492 176.870 -0.221 0.000 1.075 448 L CA 1.609 56.144 54.840 -0.509 0.000 0.752 448 L CB -0.967 40.899 42.059 -0.322 0.000 0.891 448 L HN 0.501 nan 8.230 nan 0.000 0.432 449 A N -0.651 122.070 122.820 -0.165 0.000 2.019 449 A HA -0.192 4.162 4.320 0.057 0.000 0.219 449 A C 2.154 179.686 177.584 -0.086 0.000 1.164 449 A CA 1.079 53.061 52.037 -0.093 0.000 0.644 449 A CB -0.393 18.569 19.000 -0.063 0.000 0.805 449 A HN 0.321 nan 8.150 nan 0.000 0.449 450 R N -1.341 119.072 120.500 -0.144 0.000 2.152 450 R HA -0.130 4.244 4.340 0.057 0.000 0.232 450 R C 1.589 177.932 176.300 0.071 0.000 1.117 450 R CA 1.173 57.259 56.100 -0.024 0.000 0.981 450 R CB -0.893 29.239 30.300 -0.280 0.000 0.870 450 R HN 0.694 nan 8.270 nan 0.000 0.451 451 Y N 1.075 121.392 120.300 0.028 0.000 2.315 451 Y HA -0.138 4.447 4.550 0.059 0.000 0.288 451 Y C 2.299 178.262 175.900 0.106 0.000 1.154 451 Y CA 1.040 59.195 58.100 0.092 0.000 1.229 451 Y CB -0.301 38.148 38.460 -0.017 0.000 0.980 451 Y HN -0.001 nan 8.280 nan 0.000 0.540 452 R N -0.973 119.614 120.500 0.145 0.000 2.193 452 R HA -0.151 4.224 4.340 0.057 0.000 0.229 452 R C 1.193 177.548 176.300 0.092 0.000 1.110 452 R CA 1.095 57.223 56.100 0.046 0.000 0.988 452 R CB -0.269 29.969 30.300 -0.103 0.000 0.871 452 R HN 0.440 nan 8.270 nan 0.000 0.458 453 H N -0.700 118.532 119.070 0.270 0.000 2.553 453 H HA 0.263 4.850 4.556 0.051 0.000 0.265 453 H C 0.341 175.828 175.328 0.265 0.000 0.964 453 H CA 0.125 56.307 56.048 0.223 0.000 1.156 453 H CB 0.187 30.065 29.762 0.193 0.000 1.411 453 H HN 0.119 nan 8.280 nan 0.000 0.558 454 A N 0.653 123.756 122.820 0.471 0.000 2.354 454 A HA 0.186 4.540 4.320 0.057 0.000 0.269 454 A C 0.586 178.366 177.584 0.327 0.000 1.109 454 A CA -0.361 51.915 52.037 0.398 0.000 0.800 454 A CB 0.690 19.939 19.000 0.415 0.000 1.045 454 A HN 0.157 nan 8.150 nan 0.000 0.489 455 D N -0.182 120.370 120.400 0.252 0.000 2.422 455 D HA 0.209 4.883 4.640 0.057 0.000 0.218 455 D C -0.532 175.950 176.300 0.303 0.000 1.047 455 D CA 0.777 54.933 54.000 0.259 0.000 0.885 455 D CB 0.645 41.505 40.800 0.099 0.000 1.035 455 D HN 0.329 nan 8.370 nan 0.000 0.502 456 L N 0.138 121.474 121.223 0.190 0.000 2.641 456 L HA 0.333 4.707 4.340 0.057 0.000 0.261 456 L C -1.954 174.992 176.870 0.127 0.000 0.926 456 L CA -0.736 54.187 54.840 0.138 0.000 0.917 456 L CB 2.018 44.121 42.059 0.073 0.000 1.361 456 L HN -0.233 nan 8.230 nan 0.000 0.417 457 F N 5.656 125.616 119.950 0.015 0.000 2.411 457 F HA 0.594 5.173 4.527 0.087 0.000 0.355 457 F C -0.752 175.079 175.800 0.052 0.000 1.117 457 F CA -0.371 57.640 58.000 0.018 0.000 1.139 457 F CB 0.704 39.714 39.000 0.017 0.000 1.120 457 F HN 0.357 nan 8.300 nan 0.000 0.493 458 L N 6.034 127.141 121.223 -0.193 0.000 2.255 458 L HA 0.257 4.632 4.340 0.057 0.000 0.289 458 L C -0.320 176.626 176.870 0.126 0.000 1.046 458 L CA -0.766 54.138 54.840 0.108 0.000 0.816 458 L CB 0.853 42.989 42.059 0.129 0.000 1.197 458 L HN 0.566 nan 8.230 nan 0.000 0.427 459 D N 2.059 122.718 120.400 0.433 0.000 2.344 459 D HA 0.253 4.928 4.640 0.057 0.000 0.244 459 D C 0.130 176.529 176.300 0.165 0.000 1.134 459 D CA 0.017 54.252 54.000 0.391 0.000 0.930 459 D CB 1.232 42.280 40.800 0.412 0.000 1.175 459 D HN 0.564 nan 8.370 nan 0.000 0.437 460 T N -0.422 114.214 114.554 0.136 0.000 2.944 460 T HA 0.553 4.937 4.350 0.057 0.000 0.284 460 T C -0.572 174.184 174.700 0.093 0.000 1.010 460 T CA -0.650 61.475 62.100 0.043 0.000 1.025 460 T CB 1.389 70.262 68.868 0.010 0.000 1.079 460 T HN 0.506 nan 8.240 nan 0.000 0.516 461 H N 0.688 119.718 119.070 -0.066 0.000 2.894 461 H HA 0.471 5.060 4.556 0.055 0.000 0.367 461 H C -2.406 172.885 175.328 -0.061 0.000 1.144 461 H CA -1.965 54.052 56.048 -0.050 0.000 1.180 461 H CB 2.579 32.276 29.762 -0.109 0.000 1.758 461 H HN 0.381 nan 8.280 nan 0.000 0.541 462 P HA -0.014 nan 4.420 nan 0.000 0.257 462 P C -0.819 176.335 177.300 -0.244 0.000 1.281 462 P CA 0.373 62.924 63.100 -0.915 0.000 0.826 462 P CB 0.235 31.450 31.700 -0.809 0.000 1.237 463 Y N 1.855 122.036 120.300 -0.199 0.000 2.478 463 Y HA 0.385 4.972 4.550 0.061 0.000 0.329 463 Y C 0.232 176.126 175.900 -0.010 0.000 0.967 463 Y CA -2.408 55.642 58.100 -0.084 0.000 1.255 463 Y CB -0.201 38.203 38.460 -0.094 0.000 1.103 463 Y HN -0.212 nan 8.280 nan 0.000 0.497 464 N N 2.487 121.449 118.700 0.437 0.000 2.235 464 N HA 0.331 5.105 4.740 0.057 0.000 0.231 464 N C -0.417 175.272 175.510 0.298 0.000 1.330 464 N CA 0.185 53.456 53.050 0.370 0.000 0.898 464 N CB 0.484 39.232 38.487 0.436 0.000 1.151 464 N HN 0.621 nan 8.380 nan 0.000 0.472 465 A N -0.600 122.407 122.820 0.312 0.000 2.331 465 A HA 0.323 4.677 4.320 0.057 0.000 0.283 465 A C 0.119 177.940 177.584 0.394 0.000 1.142 465 A CA -0.199 51.983 52.037 0.240 0.000 0.812 465 A CB 0.091 19.255 19.000 0.273 0.000 1.074 465 A HN 0.836 nan 8.150 nan 0.000 0.497 466 H N 1.143 120.310 119.070 0.161 0.000 2.398 466 H HA 0.018 4.608 4.556 0.057 0.000 0.279 466 H C 1.596 176.979 175.328 0.091 0.000 1.114 466 H CA 0.631 56.779 56.048 0.168 0.000 1.609 466 H CB 0.242 30.166 29.762 0.270 0.000 1.460 466 H HN 0.615 nan 8.280 nan 0.000 0.608 467 T N 0.562 115.264 114.554 0.248 0.000 2.788 467 T HA -0.127 4.257 4.350 0.057 0.000 0.268 467 T C 1.860 176.647 174.700 0.145 0.000 1.044 467 T CA 1.890 64.072 62.100 0.136 0.000 1.139 467 T CB -0.408 68.519 68.868 0.099 0.000 0.867 467 T HN 0.387 nan 8.240 nan 0.000 0.454 468 T N 1.857 116.511 114.554 0.166 0.000 2.867 468 T HA 0.035 4.419 4.350 0.057 0.000 0.268 468 T C 2.385 177.056 174.700 -0.048 0.000 1.057 468 T CA 0.964 63.188 62.100 0.207 0.000 1.136 468 T CB -0.403 68.641 68.868 0.294 0.000 0.874 468 T HN 0.427 nan 8.240 nan 0.000 0.466 469 A N 2.034 124.790 122.820 -0.106 0.000 1.898 469 A HA -0.060 4.295 4.320 0.057 0.000 0.216 469 A C 2.581 180.048 177.584 -0.194 0.000 1.181 469 A CA 1.883 53.742 52.037 -0.297 0.000 0.620 469 A CB -0.780 18.164 19.000 -0.093 0.000 0.819 469 A HN 0.585 nan 8.150 nan 0.000 0.442 470 S N -0.479 115.201 115.700 -0.034 0.000 2.461 470 S HA -0.097 4.407 4.470 0.057 0.000 0.228 470 S C 1.262 175.920 174.600 0.097 0.000 1.005 470 S CA 1.066 59.312 58.200 0.076 0.000 0.942 470 S CB -0.308 62.945 63.200 0.090 0.000 0.776 470 S HN 0.466 nan 8.310 nan 0.000 0.514 471 D N 2.507 122.927 120.400 0.033 0.000 2.097 471 D HA 0.050 4.725 4.640 0.057 0.000 0.197 471 D C 2.337 178.464 176.300 -0.288 0.000 0.984 471 D CA 1.523 55.554 54.000 0.052 0.000 0.826 471 D CB -0.672 40.295 40.800 0.279 0.000 0.973 471 D HN 0.538 nan 8.370 nan 0.000 0.460 472 A N 0.828 123.254 122.820 -0.656 0.000 1.858 472 A HA -0.162 4.192 4.320 0.057 0.000 0.216 472 A C 2.173 179.471 177.584 -0.477 0.000 1.190 472 A CA 1.067 52.464 52.037 -1.068 0.000 0.617 472 A CB -0.748 17.673 19.000 -0.965 0.000 0.827 472 A HN 0.143 nan 8.150 nan 0.000 0.443 473 L N -1.240 119.854 121.223 -0.215 0.000 2.046 473 L HA -0.171 4.204 4.340 0.057 0.000 0.208 473 L C 2.324 179.224 176.870 0.049 0.000 1.077 473 L CA 1.506 56.346 54.840 0.001 0.000 0.747 473 L CB -1.102 41.065 42.059 0.181 0.000 0.896 473 L HN 0.762 nan 8.230 nan 0.000 0.432 474 W N -0.147 121.029 121.300 -0.207 0.000 2.350 474 W HA -0.248 4.445 4.660 0.055 0.000 0.289 474 W C 1.792 178.088 176.519 -0.372 0.000 1.215 474 W CA 1.625 58.625 57.345 -0.575 0.000 1.236 474 W CB -0.037 29.092 29.460 -0.552 0.000 1.130 474 W HN 0.124 nan 8.180 nan 0.000 0.541 475 T N -0.258 114.089 114.554 -0.345 0.000 2.985 475 T HA 0.074 4.458 4.350 0.057 0.000 0.266 475 T C 1.401 175.921 174.700 -0.300 0.000 1.076 475 T CA 1.703 63.594 62.100 -0.350 0.000 1.135 475 T CB -0.443 68.300 68.868 -0.207 0.000 0.890 475 T HN 0.431 nan 8.240 nan 0.000 0.480 476 G N 0.118 108.760 108.800 -0.264 0.000 2.184 476 G HA2 -0.210 3.785 3.960 0.057 0.000 0.206 476 G HA3 -0.210 3.785 3.960 0.057 0.000 0.206 476 G C 0.371 175.124 174.900 -0.246 0.000 0.995 476 G CA -0.140 44.833 45.100 -0.212 0.000 0.651 476 G HN 0.620 nan 8.290 nan 0.000 0.511 477 C N 3.881 123.046 119.300 -0.225 0.000 2.394 477 C HA 0.673 5.168 4.460 0.057 0.000 0.362 477 C C -1.286 173.580 174.990 -0.206 0.000 1.268 477 C CA -1.901 56.988 59.018 -0.214 0.000 1.828 477 C CB 0.425 28.138 27.740 -0.045 0.000 2.442 477 C HN 0.419 nan 8.230 nan 0.000 0.549 478 P HA 0.193 nan 4.420 nan 0.000 0.271 478 P C -0.945 176.359 177.300 0.007 0.000 1.218 478 P CA 0.203 63.231 63.100 -0.120 0.000 0.780 478 P CB 0.816 32.440 31.700 -0.126 0.000 0.901 479 V N 4.103 124.030 119.914 0.022 0.000 2.459 479 V HA 0.265 4.420 4.120 0.057 0.000 0.295 479 V C 0.271 176.446 176.094 0.134 0.000 1.029 479 V CA -0.758 61.618 62.300 0.125 0.000 0.874 479 V CB 1.496 33.327 31.823 0.013 0.000 0.985 479 V HN 0.419 nan 8.190 nan 0.000 0.438 480 L N 4.726 126.067 121.223 0.197 0.000 2.295 480 L HA 0.836 5.210 4.340 0.057 0.000 0.285 480 L C -0.045 177.041 176.870 0.360 0.000 1.035 480 L CA 0.851 55.786 54.840 0.159 0.000 0.806 480 L CB 1.725 43.754 42.059 -0.051 0.000 1.214 480 L HN 0.828 nan 8.230 nan 0.000 0.426 481 T N 1.506 116.251 114.554 0.319 0.000 2.864 481 T HA 0.636 5.020 4.350 0.057 0.000 0.299 481 T C -0.946 173.916 174.700 0.270 0.000 1.166 481 T CA -0.054 62.243 62.100 0.327 0.000 1.007 481 T CB 1.439 70.448 68.868 0.234 0.000 1.219 481 T HN 0.685 nan 8.240 nan 0.000 0.506 482 T N 1.843 116.505 114.554 0.179 0.000 3.250 482 T HA 0.537 4.922 4.350 0.057 0.000 0.391 482 T C -2.854 171.905 174.700 0.097 0.000 1.502 482 T CA -1.609 60.548 62.100 0.095 0.000 1.320 482 T CB 0.307 69.139 68.868 -0.061 0.000 1.102 482 T HN 0.333 nan 8.240 nan 0.000 0.610 483 P HA 0.174 nan 4.420 nan 0.000 0.255 483 P C 0.897 178.262 177.300 0.109 0.000 1.161 483 P CA 0.551 63.765 63.100 0.189 0.000 0.768 483 P CB 0.271 32.148 31.700 0.294 0.000 0.746 484 G N 3.042 111.921 108.800 0.133 0.000 2.630 484 G HA2 0.253 4.247 3.960 0.057 0.000 0.223 484 G HA3 0.253 4.247 3.960 0.057 0.000 0.223 484 G C -0.043 174.887 174.900 0.051 0.000 1.434 484 G CA -0.487 44.690 45.100 0.128 0.000 1.057 484 G HN 0.560 nan 8.290 nan 0.000 0.570 485 E N -1.005 119.221 120.200 0.043 0.000 2.736 485 E HA 0.274 4.658 4.350 0.057 0.000 0.208 485 E C -0.357 176.232 176.600 -0.019 0.000 0.996 485 E CA -0.423 55.979 56.400 0.004 0.000 1.104 485 E CB 0.180 29.877 29.700 -0.004 0.000 1.111 485 E HN 0.386 nan 8.360 nan 0.000 0.455 486 T N -3.525 111.026 114.554 -0.005 0.000 2.923 486 T HA 0.262 4.647 4.350 0.057 0.000 0.311 486 T C 0.144 174.890 174.700 0.077 0.000 1.183 486 T CA -0.858 61.242 62.100 -0.000 0.000 1.020 486 T CB 1.104 69.920 68.868 -0.086 0.000 1.165 486 T HN 0.032 nan 8.240 nan 0.000 0.482 487 F N 2.595 122.547 119.950 0.004 0.000 2.043 487 F HA -0.070 4.492 4.527 0.059 0.000 0.297 487 F C 2.660 178.439 175.800 -0.034 0.000 1.118 487 F CA 2.712 60.714 58.000 0.003 0.000 1.202 487 F CB -0.804 38.238 39.000 0.070 0.000 0.965 487 F HN 0.827 nan 8.300 nan 0.000 0.482 488 A N -0.189 122.733 122.820 0.170 0.000 2.084 488 A HA -0.075 4.280 4.320 0.057 0.000 0.221 488 A C 2.025 179.674 177.584 0.108 0.000 1.161 488 A CA 1.649 53.749 52.037 0.105 0.000 0.653 488 A CB -1.433 17.465 19.000 -0.169 0.000 0.802 488 A HN 0.563 nan 8.150 nan 0.000 0.457 489 A N -1.321 121.512 122.820 0.022 0.000 2.345 489 A HA 0.338 4.692 4.320 0.057 0.000 0.225 489 A C 1.469 179.114 177.584 0.102 0.000 1.243 489 A CA 0.055 52.135 52.037 0.072 0.000 0.875 489 A CB -0.012 19.007 19.000 0.031 0.000 0.929 489 A HN 0.477 nan 8.150 nan 0.000 0.502 490 R N -1.368 119.135 120.500 0.005 0.000 2.566 490 R HA 0.196 4.570 4.340 0.057 0.000 0.388 490 R C 0.689 176.999 176.300 0.016 0.000 0.989 490 R CA 0.127 56.264 56.100 0.061 0.000 1.164 490 R CB 0.456 30.750 30.300 -0.009 0.000 1.459 490 R HN 0.239 nan 8.270 nan 0.000 0.553 491 V N 0.820 120.650 119.914 -0.140 0.000 2.379 491 V HA -0.165 3.990 4.120 0.057 0.000 0.245 491 V C 2.398 178.523 176.094 0.050 0.000 1.044 491 V CA 2.342 64.555 62.300 -0.145 0.000 1.036 491 V CB -0.286 31.251 31.823 -0.476 0.000 0.664 491 V HN 0.395 nan 8.190 nan 0.000 0.453 492 A N 0.544 123.427 122.820 0.106 0.000 1.969 492 A HA -0.032 4.322 4.320 0.057 0.000 0.218 492 A C 2.382 180.000 177.584 0.055 0.000 1.169 492 A CA 1.725 53.820 52.037 0.096 0.000 0.635 492 A CB -1.056 18.034 19.000 0.150 0.000 0.810 492 A HN 0.518 nan 8.150 nan 0.000 0.445 493 G N -0.908 107.957 108.800 0.108 0.000 2.422 493 G HA2 -0.177 3.817 3.960 0.057 0.000 0.218 493 G HA3 -0.177 3.817 3.960 0.057 0.000 0.218 493 G C 1.897 176.530 174.900 -0.445 0.000 1.146 493 G CA 1.400 46.506 45.100 0.011 0.000 0.769 493 G HN 0.548 nan 8.290 nan 0.000 0.547 494 S N -0.303 115.310 115.700 -0.145 0.000 2.382 494 S HA -0.050 4.455 4.470 0.057 0.000 0.228 494 S C 2.367 176.973 174.600 0.010 0.000 1.027 494 S CA 0.785 58.937 58.200 -0.081 0.000 0.991 494 S CB -0.187 63.198 63.200 0.308 0.000 0.823 494 S HN 0.090 nan 8.310 nan 0.000 0.469 495 L N 2.560 123.772 121.223 -0.019 0.000 2.017 495 L HA -0.000 4.374 4.340 0.057 0.000 0.208 495 L C 2.324 179.155 176.870 -0.066 0.000 1.073 495 L CA 1.572 56.382 54.840 -0.050 0.000 0.745 495 L CB -1.953 40.067 42.059 -0.065 0.000 0.894 495 L HN 0.331 nan 8.230 nan 0.000 0.432 496 N N -1.041 117.604 118.700 -0.091 0.000 2.043 496 N HA -0.237 4.537 4.740 0.057 0.000 0.193 496 N C 1.922 177.375 175.510 -0.095 0.000 1.037 496 N CA 1.345 54.344 53.050 -0.086 0.000 0.851 496 N CB -0.483 37.955 38.487 -0.082 0.000 1.027 496 N HN 0.394 nan 8.380 nan 0.000 0.422 497 H N 0.930 119.769 119.070 -0.386 0.000 2.265 497 H HA -0.112 4.478 4.556 0.056 0.000 0.295 497 H C 1.477 176.608 175.328 -0.327 0.000 1.084 497 H CA 2.087 57.862 56.048 -0.454 0.000 1.261 497 H CB -0.732 28.487 29.762 -0.904 0.000 1.360 497 H HN 0.399 nan 8.280 nan 0.000 0.487 498 H N -1.076 117.900 119.070 -0.156 0.000 2.545 498 H HA -0.016 4.573 4.556 0.056 0.000 0.282 498 H C 2.006 177.277 175.328 -0.095 0.000 1.020 498 H CA 0.752 56.700 56.048 -0.166 0.000 1.243 498 H CB 0.207 29.853 29.762 -0.193 0.000 1.377 498 H HN 0.200 nan 8.280 nan 0.000 0.581 499 L N -1.270 119.956 121.223 0.004 0.000 2.249 499 L HA 0.208 4.582 4.340 0.057 0.000 0.207 499 L C 1.821 178.694 176.870 0.005 0.000 1.090 499 L CA 1.633 56.464 54.840 -0.014 0.000 0.802 499 L CB -0.088 41.953 42.059 -0.030 0.000 0.947 499 L HN 0.451 nan 8.230 nan 0.000 0.453 500 G N -1.401 107.403 108.800 0.006 0.000 2.205 500 G HA2 -0.183 3.812 3.960 0.057 0.000 0.180 500 G HA3 -0.183 3.812 3.960 0.057 0.000 0.180 500 G C 0.398 175.291 174.900 -0.013 0.000 1.004 500 G CA 0.053 45.157 45.100 0.006 0.000 0.670 500 G HN 0.181 nan 8.290 nan 0.000 0.496 501 L N 1.870 123.080 121.223 -0.023 0.000 2.934 501 L HA 0.291 4.665 4.340 0.057 0.000 0.233 501 L C 1.180 178.023 176.870 -0.045 0.000 1.358 501 L CA -0.490 54.333 54.840 -0.028 0.000 1.233 501 L CB 0.090 42.135 42.059 -0.024 0.000 1.594 501 L HN 0.084 nan 8.230 nan 0.000 0.439 502 D N 0.959 121.321 120.400 -0.063 0.000 2.265 502 D HA -0.192 4.483 4.640 0.057 0.000 0.208 502 D C 1.791 178.067 176.300 -0.040 0.000 0.977 502 D CA 1.147 55.097 54.000 -0.084 0.000 0.871 502 D CB 0.319 41.048 40.800 -0.118 0.000 0.925 502 D HN 0.599 nan 8.370 nan 0.000 0.485 503 E N 0.582 120.766 120.200 -0.027 0.000 2.338 503 E HA -0.148 4.236 4.350 0.057 0.000 0.197 503 E C 1.567 178.166 176.600 -0.003 0.000 1.007 503 E CA 0.520 56.913 56.400 -0.012 0.000 0.849 503 E CB -0.235 29.458 29.700 -0.011 0.000 0.774 503 E HN 0.250 nan 8.360 nan 0.000 0.506 504 M N 0.887 120.485 119.600 -0.002 0.000 2.561 504 M HA 0.120 4.635 4.480 0.057 0.000 0.238 504 M C -0.046 176.283 176.300 0.049 0.000 1.131 504 M CA 0.179 55.489 55.300 0.015 0.000 1.046 504 M CB -0.556 32.050 32.600 0.011 0.000 1.532 504 M HN -0.101 nan 8.290 nan 0.000 0.497 505 N N 1.867 120.593 118.700 0.042 0.000 2.801 505 N HA 0.264 5.038 4.740 0.057 0.000 0.235 505 N C -0.203 175.361 175.510 0.088 0.000 1.069 505 N CA -0.064 53.036 53.050 0.083 0.000 0.946 505 N CB 0.997 39.529 38.487 0.075 0.000 1.212 505 N HN 0.073 nan 8.380 nan 0.000 0.509 506 V N -0.793 119.187 119.914 0.110 0.000 3.295 506 V HA 0.635 4.790 4.120 0.057 0.000 0.308 506 V C 1.293 177.439 176.094 0.087 0.000 1.068 506 V CA -0.433 61.924 62.300 0.095 0.000 1.062 506 V CB 0.933 32.822 31.823 0.110 0.000 1.162 506 V HN 0.347 nan 8.190 nan 0.000 0.456 507 A N 0.759 123.616 122.820 0.061 0.000 2.081 507 A HA 0.338 4.692 4.320 0.057 0.000 0.214 507 A C 0.604 178.195 177.584 0.011 0.000 1.158 507 A CA 1.203 53.261 52.037 0.035 0.000 0.724 507 A CB -0.862 18.152 19.000 0.023 0.000 0.826 507 A HN 1.280 nan 8.150 nan 0.000 0.463 508 D N -4.271 116.145 120.400 0.027 0.000 2.809 508 D HA 0.173 4.847 4.640 0.057 0.000 0.336 508 D C -0.562 175.757 176.300 0.032 0.000 1.367 508 D CA -0.327 53.664 54.000 -0.016 0.000 0.815 508 D CB -0.353 40.431 40.800 -0.025 0.000 1.381 508 D HN -0.206 nan 8.370 nan 0.000 0.471 509 D N -0.118 120.269 120.400 -0.023 0.000 2.116 509 D HA -0.131 4.543 4.640 0.057 0.000 0.193 509 D C 2.078 178.450 176.300 0.120 0.000 0.998 509 D CA 2.729 56.744 54.000 0.025 0.000 0.836 509 D CB -0.672 40.106 40.800 -0.036 0.000 0.951 509 D HN 0.514 nan 8.370 nan 0.000 0.449 510 A N 0.864 123.723 122.820 0.066 0.000 1.883 510 A HA -0.121 4.234 4.320 0.057 0.000 0.217 510 A C 2.298 179.928 177.584 0.078 0.000 1.186 510 A CA 2.650 54.724 52.037 0.063 0.000 0.624 510 A CB -0.872 18.148 19.000 0.033 0.000 0.822 510 A HN 0.263 nan 8.150 nan 0.000 0.444 511 A N -1.821 121.048 122.820 0.081 0.000 2.014 511 A HA 0.076 4.431 4.320 0.057 0.000 0.218 511 A C 1.988 179.636 177.584 0.106 0.000 1.163 511 A CA 1.363 53.444 52.037 0.074 0.000 0.652 511 A CB -0.603 18.435 19.000 0.063 0.000 0.808 511 A HN 0.649 nan 8.150 nan 0.000 0.449 512 F N 0.728 120.676 119.950 -0.002 0.000 2.084 512 F HA -0.138 4.418 4.527 0.050 0.000 0.296 512 F C 2.196 178.001 175.800 0.008 0.000 1.111 512 F CA 2.074 60.077 58.000 0.005 0.000 1.224 512 F CB -0.251 38.750 39.000 0.001 0.000 0.991 512 F HN 0.023 nan 8.300 nan 0.000 0.471 513 V N 0.767 120.789 119.914 0.179 0.000 2.407 513 V HA -0.294 3.860 4.120 0.057 0.000 0.248 513 V C 2.717 178.794 176.094 -0.029 0.000 1.055 513 V CA 1.610 63.946 62.300 0.059 0.000 1.049 513 V CB -1.763 30.124 31.823 0.108 0.000 0.662 513 V HN 0.501 nan 8.190 nan 0.000 0.455 514 A N 0.398 123.215 122.820 -0.006 0.000 1.851 514 A HA -0.303 4.051 4.320 0.057 0.000 0.216 514 A C 2.269 179.821 177.584 -0.052 0.000 1.195 514 A CA 2.488 54.513 52.037 -0.019 0.000 0.622 514 A CB -0.613 18.387 19.000 -0.000 0.000 0.831 514 A HN 0.461 nan 8.150 nan 0.000 0.444 515 K N -0.169 120.186 120.400 -0.074 0.000 2.103 515 K HA -0.067 4.287 4.320 0.057 0.000 0.207 515 K C 2.001 178.523 176.600 -0.129 0.000 1.048 515 K CA 1.635 57.867 56.287 -0.092 0.000 0.930 515 K CB -0.481 31.959 32.500 -0.099 0.000 0.716 515 K HN 0.393 nan 8.250 nan 0.000 0.444 516 A N -0.151 122.543 122.820 -0.210 0.000 1.877 516 A HA -0.107 4.247 4.320 0.057 0.000 0.216 516 A C 2.279 179.799 177.584 -0.108 0.000 1.186 516 A CA 1.830 53.742 52.037 -0.207 0.000 0.620 516 A CB -0.776 18.035 19.000 -0.314 0.000 0.822 516 A HN 0.117 nan 8.150 nan 0.000 0.443 517 V N -0.076 119.788 119.914 -0.083 0.000 2.490 517 V HA -0.225 3.929 4.120 0.057 0.000 0.250 517 V C 2.987 179.057 176.094 -0.039 0.000 1.061 517 V CA 1.833 64.104 62.300 -0.048 0.000 1.064 517 V CB -1.236 30.568 31.823 -0.032 0.000 0.670 517 V HN 0.625 nan 8.190 nan 0.000 0.461 518 A N -0.231 122.564 122.820 -0.042 0.000 1.855 518 A HA -0.138 4.217 4.320 0.057 0.000 0.215 518 A C 2.108 179.676 177.584 -0.028 0.000 1.191 518 A CA 1.643 53.662 52.037 -0.030 0.000 0.613 518 A CB -0.606 18.377 19.000 -0.029 0.000 0.829 518 A HN 0.390 nan 8.150 nan 0.000 0.442 519 L N -0.359 120.844 121.223 -0.033 0.000 2.083 519 L HA -0.089 4.285 4.340 0.057 0.000 0.209 519 L C 2.853 179.712 176.870 -0.018 0.000 1.083 519 L CA 1.851 56.679 54.840 -0.020 0.000 0.752 519 L CB -0.948 41.099 42.059 -0.020 0.000 0.899 519 L HN 0.414 nan 8.230 nan 0.000 0.433 520 A N -2.205 120.598 122.820 -0.028 0.000 1.929 520 A HA -0.115 4.240 4.320 0.057 0.000 0.216 520 A C 2.442 180.011 177.584 -0.025 0.000 1.176 520 A CA 1.644 53.666 52.037 -0.026 0.000 0.628 520 A CB -0.546 18.434 19.000 -0.032 0.000 0.816 520 A HN 0.406 nan 8.150 nan 0.000 0.444 521 S N -0.400 115.285 115.700 -0.025 0.000 2.406 521 S HA -0.058 4.447 4.470 0.057 0.000 0.228 521 S C 0.625 175.212 174.600 -0.021 0.000 1.020 521 S CA 0.832 59.019 58.200 -0.022 0.000 0.965 521 S CB -0.114 63.074 63.200 -0.020 0.000 0.798 521 S HN 0.623 nan 8.310 nan 0.000 0.488 522 D N 1.197 121.585 120.400 -0.020 0.000 2.472 522 D HA 0.230 4.905 4.640 0.057 0.000 0.234 522 D C -1.836 174.452 176.300 -0.021 0.000 1.088 522 D CA -2.365 51.624 54.000 -0.018 0.000 0.882 522 D CB 1.479 42.270 40.800 -0.015 0.000 1.037 522 D HN 0.049 nan 8.370 nan 0.000 0.520 523 P HA -0.066 nan 4.420 nan 0.000 0.226 523 P C 1.017 178.296 177.300 -0.035 0.000 1.153 523 P CA 0.398 63.476 63.100 -0.037 0.000 0.777 523 P CB 0.404 32.080 31.700 -0.040 0.000 0.794 524 A N 0.705 123.510 122.820 -0.024 0.000 1.930 524 A HA 0.050 4.404 4.320 0.057 0.000 0.217 524 A C 2.463 180.040 177.584 -0.012 0.000 1.175 524 A CA 1.729 53.755 52.037 -0.019 0.000 0.627 524 A CB -1.321 17.670 19.000 -0.014 0.000 0.815 524 A HN 0.235 nan 8.150 nan 0.000 0.443 525 A N -0.340 122.476 122.820 -0.008 0.000 1.872 525 A HA 0.040 4.394 4.320 0.057 0.000 0.214 525 A C 2.175 179.771 177.584 0.020 0.000 1.187 525 A CA 1.268 53.307 52.037 0.004 0.000 0.614 525 A CB -0.590 18.410 19.000 0.000 0.000 0.826 525 A HN 0.442 nan 8.150 nan 0.000 0.442 526 L N -0.530 120.699 121.223 0.010 0.000 1.989 526 L HA -0.206 4.168 4.340 0.057 0.000 0.211 526 L C 2.807 179.694 176.870 0.028 0.000 1.071 526 L CA 2.153 57.013 54.840 0.033 0.000 0.749 526 L CB -0.742 41.299 42.059 -0.031 0.000 0.890 526 L HN 0.382 nan 8.230 nan 0.000 0.431 527 T N -0.337 114.183 114.554 -0.057 0.000 2.759 527 T HA -0.202 4.182 4.350 0.057 0.000 0.269 527 T C 1.808 176.524 174.700 0.027 0.000 1.042 527 T CA 1.292 63.353 62.100 -0.065 0.000 1.140 527 T CB -0.211 68.620 68.868 -0.061 0.000 0.864 527 T HN 0.505 nan 8.240 nan 0.000 0.455 528 A N 0.939 123.778 122.820 0.031 0.000 1.930 528 A HA 0.040 4.395 4.320 0.057 0.000 0.217 528 A C 2.197 179.818 177.584 0.062 0.000 1.175 528 A CA 1.077 53.136 52.037 0.037 0.000 0.627 528 A CB -0.652 18.360 19.000 0.020 0.000 0.815 528 A HN 0.420 nan 8.150 nan 0.000 0.443 529 L N -1.006 120.275 121.223 0.096 0.000 2.093 529 L HA -0.090 4.285 4.340 0.057 0.000 0.208 529 L C 2.181 179.113 176.870 0.103 0.000 1.085 529 L CA 2.184 57.080 54.840 0.094 0.000 0.755 529 L CB -0.744 41.378 42.059 0.104 0.000 0.904 529 L HN 0.489 nan 8.230 nan 0.000 0.435 530 H N -0.560 118.508 119.070 -0.004 0.000 2.357 530 H HA 0.059 4.644 4.556 0.048 0.000 0.301 530 H C 2.196 177.515 175.328 -0.015 0.000 1.082 530 H CA 1.385 57.428 56.048 -0.008 0.000 1.342 530 H CB -0.451 29.307 29.762 -0.007 0.000 1.389 530 H HN 0.461 nan 8.280 nan 0.000 0.511 531 A N 0.491 123.379 122.820 0.114 0.000 1.969 531 A HA -0.159 4.195 4.320 0.057 0.000 0.218 531 A C 2.311 179.910 177.584 0.026 0.000 1.169 531 A CA 1.571 53.638 52.037 0.050 0.000 0.635 531 A CB -0.401 18.621 19.000 0.036 0.000 0.810 531 A HN 0.361 nan 8.150 nan 0.000 0.445 532 R N -0.579 119.937 120.500 0.026 0.000 2.090 532 R HA -0.020 4.354 4.340 0.057 0.000 0.228 532 R C 1.785 178.086 176.300 0.003 0.000 1.110 532 R CA 1.369 57.476 56.100 0.013 0.000 0.973 532 R CB -0.252 30.055 30.300 0.013 0.000 0.869 532 R HN 0.273 nan 8.270 nan 0.000 0.440 533 V N 1.276 121.181 119.914 -0.014 0.000 2.358 533 V HA -0.219 3.935 4.120 0.057 0.000 0.246 533 V C 1.773 177.859 176.094 -0.014 0.000 1.047 533 V CA 2.201 64.486 62.300 -0.026 0.000 1.035 533 V CB -0.514 31.258 31.823 -0.084 0.000 0.658 533 V HN 0.414 nan 8.190 nan 0.000 0.452 534 D N -0.348 120.036 120.400 -0.027 0.000 2.182 534 D HA -0.147 4.528 4.640 0.057 0.000 0.201 534 D C 1.892 178.186 176.300 -0.011 0.000 0.986 534 D CA 1.286 55.263 54.000 -0.037 0.000 0.847 534 D CB 0.066 40.843 40.800 -0.039 0.000 0.942 534 D HN 0.267 nan 8.370 nan 0.000 0.467 535 V N -0.141 119.776 119.914 0.005 0.000 2.273 535 V HA -0.144 4.010 4.120 0.057 0.000 0.242 535 V C 2.333 178.446 176.094 0.032 0.000 1.035 535 V CA 0.846 63.155 62.300 0.015 0.000 1.013 535 V CB -0.490 31.341 31.823 0.013 0.000 0.652 535 V HN 0.192 nan 8.190 nan 0.000 0.452 536 L N 0.210 121.453 121.223 0.033 0.000 2.129 536 L HA -0.175 4.199 4.340 0.057 0.000 0.212 536 L C 2.507 179.429 176.870 0.087 0.000 1.087 536 L CA 1.905 56.772 54.840 0.045 0.000 0.757 536 L CB -1.123 40.954 42.059 0.031 0.000 0.896 536 L HN 0.311 nan 8.230 nan 0.000 0.434 537 R N -0.293 120.275 120.500 0.113 0.000 2.083 537 R HA -0.169 4.205 4.340 0.057 0.000 0.237 537 R C 2.358 178.801 176.300 0.238 0.000 1.137 537 R CA 1.624 57.863 56.100 0.232 0.000 0.951 537 R CB -0.063 30.320 30.300 0.138 0.000 0.851 537 R HN 0.235 nan 8.270 nan 0.000 0.434 538 R N -0.906 119.672 120.500 0.130 0.000 2.161 538 R HA 0.127 4.501 4.340 0.057 0.000 0.213 538 R C 2.026 178.392 176.300 0.109 0.000 1.055 538 R CA 0.952 57.126 56.100 0.123 0.000 0.996 538 R CB 0.119 30.458 30.300 0.065 0.000 0.901 538 R HN 0.255 nan 8.270 nan 0.000 0.456 539 A N 0.276 123.144 122.820 0.079 0.000 2.030 539 A HA 0.064 4.419 4.320 0.057 0.000 0.215 539 A C 1.139 178.748 177.584 0.042 0.000 1.164 539 A CA 0.209 52.276 52.037 0.050 0.000 0.697 539 A CB 0.108 19.128 19.000 0.033 0.000 0.827 539 A HN 0.219 nan 8.150 nan 0.000 0.457 540 S N -1.133 114.604 115.700 0.062 0.000 2.632 540 S HA 0.446 4.950 4.470 0.057 0.000 0.271 540 S C 1.337 175.969 174.600 0.054 0.000 1.260 540 S CA 0.072 58.298 58.200 0.042 0.000 1.010 540 S CB 1.341 64.559 63.200 0.029 0.000 0.965 540 S HN 0.448 nan 8.310 nan 0.000 0.534 541 G N 1.617 110.434 108.800 0.028 0.000 2.484 541 G HA2 -0.070 3.924 3.960 0.057 0.000 0.218 541 G HA3 -0.070 3.924 3.960 0.057 0.000 0.218 541 G C 1.282 176.222 174.900 0.066 0.000 1.130 541 G CA 0.656 45.788 45.100 0.054 0.000 0.784 541 G HN 0.667 nan 8.290 nan 0.000 0.543 542 V N 0.202 120.080 119.914 -0.060 0.000 2.363 542 V HA -0.195 3.959 4.120 0.057 0.000 0.254 542 V C 1.655 177.528 176.094 -0.368 0.000 1.074 542 V CA 1.461 63.594 62.300 -0.278 0.000 1.069 542 V CB -0.505 31.000 31.823 -0.530 0.000 0.659 542 V HN 0.361 nan 8.190 nan 0.000 0.455 543 F N -1.709 118.329 119.950 0.146 0.000 2.791 543 F HA 0.356 4.916 4.527 0.055 0.000 0.308 543 F C 0.798 176.680 175.800 0.136 0.000 1.138 543 F CA -0.729 57.344 58.000 0.122 0.000 1.294 543 F CB -0.147 39.032 39.000 0.298 0.000 0.975 543 F HN 0.146 nan 8.300 nan 0.000 0.512 544 H N 1.649 120.828 119.070 0.181 0.000 2.628 544 H HA 0.200 4.790 4.556 0.057 0.000 0.250 544 H C 1.137 176.538 175.328 0.122 0.000 1.442 544 H CA -0.129 56.003 56.048 0.140 0.000 1.282 544 H CB 0.673 30.506 29.762 0.118 0.000 1.487 544 H HN 0.004 nan 8.280 nan 0.000 0.544 545 M N 1.798 121.375 119.600 -0.040 0.000 2.358 545 M HA -0.118 4.397 4.480 0.057 0.000 0.264 545 M C 1.138 177.434 176.300 -0.007 0.000 1.064 545 M CA 0.748 56.022 55.300 -0.043 0.000 1.093 545 M CB -0.512 31.989 32.600 -0.165 0.000 1.401 545 M HN 0.460 nan 8.290 nan 0.000 0.440 546 D N 0.055 120.373 120.400 -0.138 0.000 2.117 546 D HA -0.048 4.627 4.640 0.057 0.000 0.198 546 D C 2.114 178.498 176.300 0.139 0.000 0.982 546 D CA 1.565 55.538 54.000 -0.044 0.000 0.828 546 D CB -0.473 40.243 40.800 -0.140 0.000 0.967 546 D HN 0.430 nan 8.370 nan 0.000 0.464 547 G N -0.478 108.519 108.800 0.329 0.000 2.408 547 G HA2 -0.239 3.755 3.960 0.057 0.000 0.217 547 G HA3 -0.239 3.755 3.960 0.057 0.000 0.217 547 G C 1.531 176.559 174.900 0.214 0.000 1.150 547 G CA 0.049 45.342 45.100 0.322 0.000 0.776 547 G HN 0.245 nan 8.290 nan 0.000 0.542 548 F N 2.047 122.049 119.950 0.087 0.000 2.102 548 F HA 0.042 4.603 4.527 0.057 0.000 0.298 548 F C 2.901 178.739 175.800 0.064 0.000 1.105 548 F CA 1.352 59.376 58.000 0.040 0.000 1.239 548 F CB 0.031 39.013 39.000 -0.030 0.000 0.991 548 F HN 0.228 nan 8.300 nan 0.000 0.474 549 A N -0.158 122.863 122.820 0.336 0.000 1.978 549 A HA -0.229 4.125 4.320 0.057 0.000 0.220 549 A C 1.912 179.627 177.584 0.219 0.000 1.170 549 A CA 2.172 54.365 52.037 0.259 0.000 0.636 549 A CB -0.856 18.227 19.000 0.139 0.000 0.810 549 A HN 0.454 nan 8.150 nan 0.000 0.448 550 D N -0.529 119.963 120.400 0.153 0.000 2.120 550 D HA -0.104 4.571 4.640 0.057 0.000 0.202 550 D C 1.612 177.949 176.300 0.061 0.000 0.972 550 D CA 1.396 55.456 54.000 0.099 0.000 0.837 550 D CB -0.468 40.382 40.800 0.084 0.000 0.989 550 D HN 0.399 nan 8.370 nan 0.000 0.469 551 D N 0.095 120.513 120.400 0.029 0.000 2.092 551 D HA -0.183 4.492 4.640 0.057 0.000 0.193 551 D C 1.929 178.207 176.300 -0.036 0.000 0.994 551 D CA 0.607 54.581 54.000 -0.044 0.000 0.828 551 D CB -0.365 40.348 40.800 -0.144 0.000 0.963 551 D HN 0.050 nan 8.370 nan 0.000 0.450 552 F N 0.864 120.715 119.950 -0.164 0.000 2.095 552 F HA -0.062 4.500 4.527 0.059 0.000 0.298 552 F C 2.232 177.995 175.800 -0.063 0.000 1.104 552 F CA 2.271 60.190 58.000 -0.135 0.000 1.232 552 F CB -0.704 38.288 39.000 -0.014 0.000 0.987 552 F HN 0.031 nan 8.300 nan 0.000 0.475 553 G N -0.480 108.318 108.800 -0.002 0.000 2.418 553 G HA2 -0.219 3.775 3.960 0.057 0.000 0.217 553 G HA3 -0.219 3.775 3.960 0.057 0.000 0.217 553 G C 1.842 176.673 174.900 -0.116 0.000 1.158 553 G CA 0.879 45.930 45.100 -0.082 0.000 0.771 553 G HN 0.635 nan 8.290 nan 0.000 0.545 554 A N 0.462 123.245 122.820 -0.062 0.000 1.908 554 A HA 0.003 4.358 4.320 0.057 0.000 0.218 554 A C 2.356 179.884 177.584 -0.094 0.000 1.181 554 A CA 1.783 53.793 52.037 -0.046 0.000 0.627 554 A CB -0.453 18.533 19.000 -0.024 0.000 0.818 554 A HN 0.479 nan 8.150 nan 0.000 0.445 555 L N -0.249 120.878 121.223 -0.159 0.000 2.093 555 L HA -0.066 4.308 4.340 0.057 0.000 0.208 555 L C 2.219 178.945 176.870 -0.240 0.000 1.085 555 L CA 1.567 56.291 54.840 -0.193 0.000 0.755 555 L CB -0.508 41.415 42.059 -0.227 0.000 0.904 555 L HN 0.403 nan 8.230 nan 0.000 0.435 556 L N -1.046 119.973 121.223 -0.341 0.000 2.083 556 L HA -0.220 4.154 4.340 0.057 0.000 0.209 556 L C 2.618 179.341 176.870 -0.244 0.000 1.083 556 L CA 1.361 56.010 54.840 -0.319 0.000 0.752 556 L CB -0.573 41.250 42.059 -0.393 0.000 0.899 556 L HN 0.414 nan 8.230 nan 0.000 0.433 557 Q N -0.323 119.369 119.800 -0.180 0.000 2.083 557 Q HA -0.113 4.261 4.340 0.057 0.000 0.198 557 Q C 2.486 178.517 176.000 0.052 0.000 0.969 557 Q CA 1.329 57.079 55.803 -0.088 0.000 0.838 557 Q CB -0.206 28.590 28.738 0.096 0.000 0.900 557 Q HN 0.530 nan 8.270 nan 0.000 0.436 558 A N 1.469 124.294 122.820 0.009 0.000 1.902 558 A HA -0.172 4.183 4.320 0.057 0.000 0.217 558 A C 2.053 179.638 177.584 0.001 0.000 1.181 558 A CA 0.946 52.996 52.037 0.021 0.000 0.623 558 A CB -0.777 18.211 19.000 -0.020 0.000 0.818 558 A HN 0.364 nan 8.150 nan 0.000 0.443 559 L N -0.761 120.419 121.223 -0.072 0.000 2.012 559 L HA -0.219 4.155 4.340 0.057 0.000 0.210 559 L C 2.919 179.810 176.870 0.035 0.000 1.073 559 L CA 1.733 56.518 54.840 -0.092 0.000 0.748 559 L CB -0.608 41.322 42.059 -0.215 0.000 0.891 559 L HN 0.458 nan 8.230 nan 0.000 0.431 560 A N -0.181 122.626 122.820 -0.022 0.000 1.877 560 A HA -0.230 4.125 4.320 0.057 0.000 0.216 560 A C 2.246 179.981 177.584 0.252 0.000 1.186 560 A CA 1.442 53.489 52.037 0.017 0.000 0.620 560 A CB -0.554 18.249 19.000 -0.327 0.000 0.822 560 A HN 0.400 nan 8.150 nan 0.000 0.443 561 R N -0.978 119.709 120.500 0.311 0.000 2.127 561 R HA -0.128 4.246 4.340 0.057 0.000 0.238 561 R C 2.333 178.718 176.300 0.142 0.000 1.134 561 R CA 1.463 57.733 56.100 0.283 0.000 0.975 561 R CB -0.272 30.161 30.300 0.221 0.000 0.865 561 R HN 0.566 nan 8.270 nan 0.000 0.447 562 R N 0.026 120.582 120.500 0.093 0.000 2.280 562 R HA -0.076 4.298 4.340 0.057 0.000 0.207 562 R C 0.532 176.729 176.300 -0.171 0.000 1.043 562 R CA 0.985 57.063 56.100 -0.037 0.000 1.006 562 R CB 0.174 30.436 30.300 -0.064 0.000 0.885 562 R HN 0.346 nan 8.270 nan 0.000 0.467 563 H N -1.880 117.230 119.070 0.066 0.000 2.567 563 H HA 0.218 4.808 4.556 0.057 0.000 0.267 563 H C 0.577 175.957 175.328 0.086 0.000 1.148 563 H CA 0.561 56.649 56.048 0.067 0.000 1.031 563 H CB 1.629 31.428 29.762 0.061 0.000 1.691 563 H HN 0.488 nan 8.280 nan 0.000 0.588 564 G N 0.704 109.601 108.800 0.161 0.000 2.278 564 G HA2 -0.243 3.751 3.960 0.057 0.000 0.210 564 G HA3 -0.243 3.751 3.960 0.057 0.000 0.210 564 G C 0.064 175.081 174.900 0.194 0.000 1.000 564 G CA -0.192 44.994 45.100 0.143 0.000 0.635 564 G HN 0.333 nan 8.290 nan 0.000 0.495 565 W N 1.643 122.965 121.300 0.038 0.000 2.231 565 W HA 0.534 5.229 4.660 0.058 0.000 0.341 565 W C 1.107 177.635 176.519 0.014 0.000 1.298 565 W CA 1.060 58.420 57.345 0.026 0.000 1.266 565 W CB 0.306 29.783 29.460 0.028 0.000 1.172 565 W HN 0.112 nan 8.180 nan 0.000 0.568 566 L N 5.097 126.005 121.223 -0.525 0.000 2.781 566 L HA 0.425 4.799 4.340 0.057 0.000 0.245 566 L C 1.229 177.585 176.870 -0.858 0.000 1.118 566 L CA 0.480 55.017 54.840 -0.505 0.000 0.918 566 L CB -0.481 41.409 42.059 -0.282 0.000 1.246 566 L HN 0.805 nan 8.230 nan 0.000 0.526 567 G N 0.322 108.074 108.800 -1.746 0.000 2.342 567 G HA2 0.035 4.030 3.960 0.057 0.000 0.220 567 G HA3 0.035 4.030 3.960 0.057 0.000 0.220 567 G C -0.452 174.033 174.900 -0.692 0.000 1.243 567 G CA -0.570 43.615 45.100 -1.525 0.000 1.083 567 G HN -0.130 nan 8.290 nan 0.000 0.500 568 I N 0.000 120.398 120.570 -0.287 0.000 2.984 568 I HA 0.000 4.204 4.170 0.057 0.000 0.288 568 I CA 0.000 61.258 61.300 -0.070 0.000 1.566 568 I CB 0.000 37.951 38.000 -0.082 0.000 1.214 568 I HN 0.000 nan 8.210 nan 0.000 0.494