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 1jbq_1_A DATA FIRST_RESID 43 DATA SEQUENCE WIRPDAPSRC TWQLGRPASE SPHHHTAPAK SPKILPDILK KIGDTPMVRI DATA SEQUENCE NKIGKKFGLK CELLAKCEFF NAGGSVKDRI SLRMIEDAER DGTLKPGDTI DATA SEQUENCE IEPTSGNTGI GLALAAAVRG YRCIIVMPEK MSSEKVDVLR ALGAEIVRTP DATA SEQUENCE TXXXXXXXES HVGVAWRLKN EIPNSHILDQ YRNASNPLAH YDTTADEILQ DATA SEQUENCE QCDGKLDMLV ASVGTGGTIT GIARKLKEKC PGCRIIGVDP EGSILAEPEE DATA SEQUENCE LNQTEQTTYE VEGIGYDFIP TVLDRTVVDK WFKSNDEEAF TFARMLIAQE DATA SEQUENCE GLLCGGSAGS TVAVAVKAAQ ELQEGQRCVV ILPDSVRNYM TKFLSDRWML DATA SEQUENCE QKGFL 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 43 W HA 0.000 nan 4.660 nan 0.000 0.303 43 W C 0.000 176.238 176.519 -0.469 0.000 1.175 43 W CA 0.000 56.762 57.345 -0.971 0.000 1.226 43 W CB 0.000 28.806 29.460 -1.089 0.000 1.126 44 I N 4.319 124.445 120.570 -0.740 0.000 3.709 44 I HA 0.605 4.775 4.170 -0.000 0.000 0.274 44 I C 0.291 175.613 176.117 -1.325 0.000 1.240 44 I CA -1.511 59.393 61.300 -0.660 0.000 1.076 44 I CB 1.461 39.261 38.000 -0.333 0.000 1.389 44 I HN 0.476 nan 8.210 nan 0.000 0.529 45 R N 0.196 120.079 120.500 -1.029 0.000 2.836 45 R HA 0.554 4.894 4.340 -0.000 0.000 0.269 45 R C -2.576 173.384 176.300 -0.568 0.000 1.010 45 R CA -1.389 53.979 56.100 -1.221 0.000 0.930 45 R CB 0.349 29.787 30.300 -1.437 0.000 1.218 45 R HN 0.094 nan 8.270 nan 0.000 0.473 46 P HA -0.225 nan 4.420 nan 0.000 0.217 46 P C 0.156 177.387 177.300 -0.114 0.000 1.151 46 P CA 1.735 64.741 63.100 -0.156 0.000 0.849 46 P CB 0.035 31.650 31.700 -0.141 0.000 0.787 47 D N -1.876 118.389 120.400 -0.224 0.000 2.339 47 D HA 0.095 4.735 4.640 -0.000 0.000 0.217 47 D C 0.536 176.785 176.300 -0.086 0.000 1.050 47 D CA -0.089 53.850 54.000 -0.102 0.000 0.856 47 D CB -0.478 40.262 40.800 -0.100 0.000 0.922 47 D HN 0.012 nan 8.370 nan 0.000 0.518 48 A N 2.860 125.596 122.820 -0.141 0.000 2.565 48 A HA 0.232 4.552 4.320 -0.000 0.000 0.237 48 A C -1.958 175.601 177.584 -0.042 0.000 1.053 48 A CA -0.759 51.216 52.037 -0.104 0.000 0.755 48 A CB -0.235 18.686 19.000 -0.132 0.000 0.980 48 A HN 0.108 nan 8.150 nan 0.000 0.506 49 P HA 0.060 nan 4.420 nan 0.000 0.271 49 P C 0.048 177.354 177.300 0.011 0.000 1.216 49 P CA 0.019 63.123 63.100 0.007 0.000 0.771 49 P CB 0.833 32.539 31.700 0.011 0.000 0.864 50 S N 2.705 118.421 115.700 0.027 0.000 2.549 50 S HA 0.050 4.520 4.470 -0.000 0.000 0.286 50 S C 0.973 175.597 174.600 0.039 0.000 1.314 50 S CA -0.221 57.998 58.200 0.032 0.000 1.062 50 S CB -0.058 63.166 63.200 0.041 0.000 0.865 50 S HN 0.301 nan 8.310 nan 0.000 0.498 51 R N 2.434 122.958 120.500 0.040 0.000 2.393 51 R HA 0.227 4.567 4.340 -0.000 0.000 0.244 51 R C 0.487 176.825 176.300 0.064 0.000 0.920 51 R CA -0.161 55.965 56.100 0.043 0.000 1.076 51 R CB -0.487 29.830 30.300 0.029 0.000 1.119 51 R HN 0.653 nan 8.270 nan 0.000 0.524 52 C N 1.552 120.903 119.300 0.086 0.000 2.611 52 C HA 0.010 4.470 4.460 -0.000 0.000 0.416 52 C C 1.943 177.017 174.990 0.139 0.000 1.366 52 C CA 0.564 59.659 59.018 0.129 0.000 1.761 52 C CB 0.161 27.987 27.740 0.142 0.000 2.619 52 C HN 0.705 nan 8.230 nan 0.000 0.606 53 T N 1.978 116.617 114.554 0.142 0.000 3.145 53 T HA 0.092 4.441 4.350 -0.000 0.000 0.255 53 T C 0.096 174.882 174.700 0.143 0.000 1.039 53 T CA -0.415 61.753 62.100 0.113 0.000 0.928 53 T CB -0.220 68.682 68.868 0.056 0.000 1.029 53 T HN 0.840 nan 8.240 nan 0.000 0.554 54 W N 2.784 124.098 121.300 0.023 0.000 2.209 54 W HA 0.340 5.000 4.660 -0.000 0.000 0.344 54 W C -0.388 176.137 176.519 0.011 0.000 1.285 54 W CA 0.265 57.619 57.345 0.014 0.000 1.267 54 W CB 0.383 29.840 29.460 -0.005 0.000 1.167 54 W HN 0.231 nan 8.180 nan 0.000 0.574 55 Q N 5.580 124.772 119.800 -1.014 0.000 2.295 55 Q HA 0.191 4.530 4.340 -0.000 0.000 0.268 55 Q C -1.226 173.890 176.000 -1.474 0.000 1.010 55 Q CA -1.375 53.821 55.803 -1.012 0.000 0.856 55 Q CB 2.053 30.540 28.738 -0.418 0.000 1.349 55 Q HN 0.542 nan 8.270 nan 0.000 0.412 56 L N 1.532 121.922 121.223 -1.388 0.000 2.525 56 L HA 0.242 4.582 4.340 -0.000 0.000 0.278 56 L C 1.115 177.755 176.870 -0.384 0.000 1.218 56 L CA 2.629 57.042 54.840 -0.711 0.000 0.878 56 L CB 0.042 41.986 42.059 -0.191 0.000 1.127 56 L HN 0.957 nan 8.230 nan 0.000 0.492 57 G N 3.258 111.922 108.800 -0.228 0.000 2.213 57 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.236 57 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.236 57 G C 0.617 175.429 174.900 -0.146 0.000 0.991 57 G CA 0.273 45.289 45.100 -0.140 0.000 0.629 57 G HN 0.813 nan 8.290 nan 0.000 0.517 58 R N 1.604 121.964 120.500 -0.235 0.000 2.308 58 R HA 0.506 4.846 4.340 -0.000 0.000 0.305 58 R C -2.051 174.196 176.300 -0.088 0.000 1.053 58 R CA -1.469 54.524 56.100 -0.177 0.000 0.957 58 R CB 0.476 30.620 30.300 -0.259 0.000 1.022 58 R HN 0.095 nan 8.270 nan 0.000 0.461 59 P HA -0.056 nan 4.420 nan 0.000 0.266 59 P C -0.366 176.960 177.300 0.042 0.000 1.193 59 P CA 0.214 63.317 63.100 0.005 0.000 0.770 59 P CB 0.830 32.532 31.700 0.003 0.000 0.836 60 A N 2.314 125.174 122.820 0.066 0.000 2.014 60 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 60 A C 2.047 179.684 177.584 0.088 0.000 1.163 60 A CA 1.602 53.696 52.037 0.094 0.000 0.652 60 A CB -1.387 17.655 19.000 0.071 0.000 0.808 60 A HN 0.603 nan 8.150 nan 0.000 0.449 61 S N 0.127 115.865 115.700 0.063 0.000 2.440 61 S HA -0.163 4.307 4.470 -0.000 0.000 0.238 61 S C 1.234 175.872 174.600 0.064 0.000 1.010 61 S CA 1.374 59.610 58.200 0.061 0.000 0.972 61 S CB -0.379 62.844 63.200 0.039 0.000 0.774 61 S HN 0.703 nan 8.310 nan 0.000 0.501 62 E N 1.393 121.629 120.200 0.061 0.000 2.489 62 E HA 0.155 4.505 4.350 -0.000 0.000 0.193 62 E C 0.339 176.982 176.600 0.071 0.000 1.057 62 E CA -0.153 56.276 56.400 0.049 0.000 0.866 62 E CB 0.267 29.981 29.700 0.024 0.000 0.916 62 E HN 0.484 nan 8.360 nan 0.000 0.500 63 S N 1.986 117.765 115.700 0.131 0.000 2.548 63 S HA 0.109 4.579 4.470 -0.000 0.000 0.277 63 S C -1.517 173.128 174.600 0.076 0.000 1.315 63 S CA -1.275 57.032 58.200 0.179 0.000 1.050 63 S CB 0.826 64.277 63.200 0.418 0.000 0.918 63 S HN -0.006 nan 8.310 nan 0.000 0.497 64 P HA 0.213 nan 4.420 nan 0.000 0.268 64 P C -0.456 176.701 177.300 -0.239 0.000 1.329 64 P CA -0.076 62.919 63.100 -0.175 0.000 0.899 64 P CB 0.062 31.614 31.700 -0.248 0.000 1.378 65 H N 0.034 119.110 119.070 0.011 0.000 2.496 65 H HA 0.198 4.754 4.556 -0.000 0.000 0.342 65 H C 0.020 175.227 175.328 -0.202 0.000 1.170 65 H CA -0.243 55.716 56.048 -0.148 0.000 1.274 65 H CB 0.869 30.433 29.762 -0.330 0.000 1.538 65 H HN 0.163 nan 8.280 nan 0.000 0.542 66 H N 2.917 121.907 119.070 -0.134 0.000 2.723 66 H HA 0.109 4.665 4.556 -0.000 0.000 0.294 66 H C -0.595 174.597 175.328 -0.227 0.000 1.079 66 H CA -0.420 55.563 56.048 -0.109 0.000 1.411 66 H CB 0.136 29.869 29.762 -0.049 0.000 1.439 66 H HN 0.524 nan 8.280 nan 0.000 0.474 67 H N 3.820 122.776 119.070 -0.191 0.000 2.472 67 H HA 0.213 4.769 4.556 -0.000 0.000 0.338 67 H C -0.154 174.985 175.328 -0.315 0.000 1.133 67 H CA -0.442 55.502 56.048 -0.173 0.000 1.216 67 H CB 2.048 31.825 29.762 0.024 0.000 1.497 67 H HN 0.588 nan 8.280 nan 0.000 0.500 68 T N 1.389 115.887 114.554 -0.094 0.000 2.918 68 T HA 0.600 4.950 4.350 -0.000 0.000 0.286 68 T C -0.126 174.550 174.700 -0.040 0.000 1.026 68 T CA -0.617 61.418 62.100 -0.108 0.000 1.031 68 T CB 1.645 70.442 68.868 -0.118 0.000 1.046 68 T HN 0.705 nan 8.240 nan 0.000 0.479 69 A N 3.006 125.802 122.820 -0.039 0.000 2.320 69 A HA 0.823 5.143 4.320 -0.000 0.000 0.334 69 A C -2.474 175.087 177.584 -0.040 0.000 1.147 69 A CA -1.693 50.320 52.037 -0.039 0.000 0.820 69 A CB -0.066 18.916 19.000 -0.029 0.000 1.218 69 A HN 0.576 nan 8.150 nan 0.000 0.482 70 P HA 0.387 nan 4.420 nan 0.000 0.270 70 P C -0.599 176.682 177.300 -0.033 0.000 1.227 70 P CA 0.238 63.313 63.100 -0.042 0.000 0.788 70 P CB 0.649 32.320 31.700 -0.048 0.000 0.926 71 A N 1.144 123.946 122.820 -0.030 0.000 2.422 71 A HA 0.501 4.821 4.320 -0.000 0.000 0.302 71 A C -0.657 176.912 177.584 -0.026 0.000 1.041 71 A CA -0.693 51.330 52.037 -0.024 0.000 0.708 71 A CB 1.171 20.160 19.000 -0.019 0.000 1.257 71 A HN 0.396 nan 8.150 nan 0.000 0.414 72 K N 0.812 121.197 120.400 -0.025 0.000 2.098 72 K HA 0.439 4.759 4.320 -0.000 0.000 0.261 72 K C 0.386 176.971 176.600 -0.024 0.000 0.987 72 K CA -0.296 55.974 56.287 -0.028 0.000 0.916 72 K CB 1.517 34.001 32.500 -0.028 0.000 1.039 72 K HN 0.726 nan 8.250 nan 0.000 0.455 73 S N 3.406 119.090 115.700 -0.027 0.000 2.525 73 S HA 0.107 4.577 4.470 -0.000 0.000 0.285 73 S C -1.625 172.964 174.600 -0.019 0.000 1.283 73 S CA -1.224 56.962 58.200 -0.023 0.000 1.072 73 S CB 0.058 63.242 63.200 -0.027 0.000 0.867 73 S HN 0.364 nan 8.310 nan 0.000 0.492 74 P HA 0.287 nan 4.420 nan 0.000 0.279 74 P C 0.605 177.898 177.300 -0.011 0.000 1.276 74 P CA -0.698 62.395 63.100 -0.012 0.000 0.801 74 P CB 0.736 32.430 31.700 -0.009 0.000 1.127 75 K N -0.358 120.036 120.400 -0.010 0.000 1.977 75 K HA -0.039 4.281 4.320 -0.000 0.000 0.218 75 K C 0.726 177.321 176.600 -0.007 0.000 1.051 75 K CA 1.331 57.613 56.287 -0.009 0.000 0.953 75 K CB -0.273 32.223 32.500 -0.008 0.000 0.727 75 K HN 0.420 nan 8.250 nan 0.000 0.445 76 I N 2.213 122.779 120.570 -0.006 0.000 2.354 76 I HA 0.105 4.275 4.170 -0.000 0.000 0.292 76 I C -0.952 175.162 176.117 -0.004 0.000 0.989 76 I CA -0.940 60.358 61.300 -0.004 0.000 1.188 76 I CB 1.509 39.506 38.000 -0.004 0.000 1.342 76 I HN 0.019 nan 8.210 nan 0.000 0.457 77 L N 9.306 130.527 121.223 -0.003 0.000 2.290 77 L HA 0.285 4.625 4.340 -0.000 0.000 0.284 77 L C -0.944 175.925 176.870 -0.002 0.000 1.078 77 L CA -1.067 53.772 54.840 -0.002 0.000 0.815 77 L CB -0.015 42.044 42.059 -0.000 0.000 1.162 77 L HN 0.440 nan 8.230 nan 0.000 0.435 78 P HA -0.084 nan 4.420 nan 0.000 0.220 78 P C -0.517 176.780 177.300 -0.004 0.000 1.148 78 P CA 0.914 64.011 63.100 -0.004 0.000 0.803 78 P CB 0.159 31.857 31.700 -0.004 0.000 0.782 79 D N -3.393 117.006 120.400 -0.002 0.000 2.671 79 D HA 0.085 4.725 4.640 -0.000 0.000 0.273 79 D C 0.334 176.635 176.300 0.002 0.000 1.264 79 D CA -0.795 53.204 54.000 -0.002 0.000 0.788 79 D CB -0.069 40.728 40.800 -0.005 0.000 1.324 79 D HN -0.284 nan 8.370 nan 0.000 0.424 80 I N 0.395 120.968 120.570 0.005 0.000 2.493 80 I HA 0.004 4.173 4.170 -0.000 0.000 0.254 80 I C 1.637 177.761 176.117 0.011 0.000 1.160 80 I CA 1.012 62.318 61.300 0.010 0.000 1.445 80 I CB -0.347 37.661 38.000 0.012 0.000 1.086 80 I HN 0.565 nan 8.210 nan 0.000 0.433 81 L N -0.372 120.857 121.223 0.010 0.000 2.261 81 L HA -0.202 4.138 4.340 -0.000 0.000 0.216 81 L C 1.961 178.835 176.870 0.007 0.000 1.114 81 L CA 0.817 55.663 54.840 0.011 0.000 0.777 81 L CB -0.696 41.371 42.059 0.013 0.000 0.910 81 L HN 0.070 nan 8.230 nan 0.000 0.440 82 K N 0.272 120.675 120.400 0.005 0.000 2.555 82 K HA -0.092 4.228 4.320 -0.000 0.000 0.193 82 K C 1.144 177.745 176.600 0.002 0.000 1.032 82 K CA 0.628 56.916 56.287 0.001 0.000 1.004 82 K CB -0.103 32.396 32.500 -0.001 0.000 0.804 82 K HN -0.123 nan 8.250 nan 0.000 0.496 83 K N 0.931 121.336 120.400 0.008 0.000 2.965 83 K HA 0.301 4.621 4.320 -0.000 0.000 0.216 83 K C -1.042 175.569 176.600 0.019 0.000 1.164 83 K CA -0.060 56.235 56.287 0.014 0.000 1.153 83 K CB -0.283 32.230 32.500 0.023 0.000 1.045 83 K HN -0.048 nan 8.250 nan 0.000 0.460 84 I N 0.305 120.881 120.570 0.010 0.000 2.466 84 I HA 0.552 4.722 4.170 -0.000 0.000 0.289 84 I C 0.279 176.395 176.117 -0.002 0.000 1.026 84 I CA -0.495 60.812 61.300 0.010 0.000 1.078 84 I CB 1.917 39.920 38.000 0.006 0.000 1.249 84 I HN 0.406 nan 8.210 nan 0.000 0.429 85 G N 4.256 113.056 108.800 0.000 0.000 2.710 85 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.668 85 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.668 85 G C -0.108 174.779 174.900 -0.022 0.000 1.320 85 G CA -0.119 44.974 45.100 -0.012 0.000 0.860 85 G HN 0.988 nan 8.290 nan 0.000 0.538 86 D N -1.043 119.338 120.400 -0.032 0.000 2.708 86 D HA -0.099 4.541 4.640 -0.000 0.000 0.236 86 D C 0.932 177.192 176.300 -0.067 0.000 1.146 86 D CA 2.872 56.843 54.000 -0.047 0.000 0.662 86 D CB -1.275 39.498 40.800 -0.044 0.000 1.059 86 D HN 1.628 nan 8.370 nan 0.000 0.428 87 T N -1.736 112.781 114.554 -0.061 0.000 2.899 87 T HA 0.567 4.917 4.350 -0.000 0.000 0.295 87 T C -2.132 172.484 174.700 -0.140 0.000 1.033 87 T CA -1.364 60.681 62.100 -0.092 0.000 1.084 87 T CB 1.741 70.580 68.868 -0.049 0.000 0.979 87 T HN 0.062 nan 8.240 nan 0.000 0.532 88 P HA 0.266 nan 4.420 nan 0.000 0.275 88 P C -0.943 176.267 177.300 -0.150 0.000 1.227 88 P CA -0.656 62.299 63.100 -0.241 0.000 0.781 88 P CB 0.630 32.069 31.700 -0.435 0.000 0.906 89 M N 4.247 123.784 119.600 -0.105 0.000 2.061 89 M HA 0.273 4.753 4.480 -0.000 0.000 0.346 89 M C -1.418 174.854 176.300 -0.045 0.000 1.112 89 M CA -0.525 54.739 55.300 -0.060 0.000 1.021 89 M CB 0.320 32.890 32.600 -0.050 0.000 1.530 89 M HN 0.024 nan 8.290 nan 0.000 0.437 90 V N 5.134 125.040 119.914 -0.014 0.000 2.581 90 V HA 0.569 4.689 4.120 -0.000 0.000 0.303 90 V C 0.009 176.119 176.094 0.026 0.000 1.041 90 V CA -0.963 61.344 62.300 0.012 0.000 0.907 90 V CB 1.773 33.628 31.823 0.054 0.000 0.994 90 V HN 0.753 nan 8.190 nan 0.000 0.442 91 R N 3.778 124.291 120.500 0.022 0.000 2.340 91 R HA 0.373 4.713 4.340 -0.000 0.000 0.300 91 R C -0.850 175.473 176.300 0.038 0.000 1.069 91 R CA -0.607 55.507 56.100 0.023 0.000 0.984 91 R CB 0.601 30.909 30.300 0.015 0.000 1.003 91 R HN 0.545 nan 8.270 nan 0.000 0.459 92 I N 5.085 125.679 120.570 0.039 0.000 2.352 92 I HA 0.026 4.196 4.170 -0.000 0.000 0.290 92 I C 0.775 176.919 176.117 0.044 0.000 1.036 92 I CA 0.070 61.400 61.300 0.049 0.000 1.336 92 I CB 1.066 39.094 38.000 0.047 0.000 1.407 92 I HN 0.689 nan 8.210 nan 0.000 0.497 93 N N 4.797 123.525 118.700 0.047 0.000 2.348 93 N HA 0.073 4.813 4.740 -0.000 0.000 0.183 93 N C 1.094 176.632 175.510 0.046 0.000 1.094 93 N CA 0.393 53.468 53.050 0.041 0.000 0.885 93 N CB 1.047 39.554 38.487 0.034 0.000 1.065 93 N HN 0.551 nan 8.380 nan 0.000 0.472 94 K N 0.739 121.171 120.400 0.054 0.000 2.266 94 K HA 0.314 4.634 4.320 -0.000 0.000 0.209 94 K C 1.982 178.638 176.600 0.093 0.000 1.065 94 K CA -0.013 56.308 56.287 0.057 0.000 0.946 94 K CB 0.302 32.827 32.500 0.043 0.000 1.069 94 K HN -0.119 nan 8.250 nan 0.000 0.472 95 I N 1.798 122.437 120.570 0.114 0.000 2.113 95 I HA -0.314 3.855 4.170 -0.000 0.000 0.242 95 I C 2.454 178.745 176.117 0.289 0.000 1.057 95 I CA 1.827 63.250 61.300 0.205 0.000 1.314 95 I CB -0.768 37.322 38.000 0.152 0.000 1.022 95 I HN 0.389 nan 8.210 nan 0.000 0.408 96 G N 0.766 109.664 108.800 0.164 0.000 2.421 96 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.216 96 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.216 96 G C 1.712 176.714 174.900 0.170 0.000 1.171 96 G CA 0.529 45.715 45.100 0.143 0.000 0.775 96 G HN 0.201 nan 8.290 nan 0.000 0.543 97 K N 0.742 121.214 120.400 0.120 0.000 2.057 97 K HA -0.066 4.254 4.320 -0.000 0.000 0.207 97 K C 2.245 178.895 176.600 0.083 0.000 1.049 97 K CA 1.148 57.485 56.287 0.085 0.000 0.931 97 K CB -0.426 32.105 32.500 0.052 0.000 0.714 97 K HN 0.428 nan 8.250 nan 0.000 0.440 98 K N 0.018 120.475 120.400 0.095 0.000 2.360 98 K HA -0.099 4.221 4.320 -0.000 0.000 0.201 98 K C 0.671 177.177 176.600 -0.156 0.000 1.046 98 K CA 0.966 57.238 56.287 -0.025 0.000 0.940 98 K CB 0.025 32.503 32.500 -0.036 0.000 0.748 98 K HN -0.004 nan 8.250 nan 0.000 0.465 99 F N -0.546 119.419 119.950 0.025 0.000 2.654 99 F HA 0.293 4.820 4.527 -0.000 0.000 0.303 99 F C 1.220 177.034 175.800 0.023 0.000 1.099 99 F CA 0.248 58.268 58.000 0.034 0.000 1.270 99 F CB 1.348 40.384 39.000 0.060 0.000 1.024 99 F HN 0.191 nan 8.300 nan 0.000 0.548 100 G N 0.509 109.389 108.800 0.132 0.000 2.179 100 G HA2 -0.292 3.668 3.960 -0.000 0.000 0.260 100 G HA3 -0.292 3.668 3.960 -0.000 0.000 0.260 100 G C 0.097 175.046 174.900 0.082 0.000 0.977 100 G CA -0.385 44.767 45.100 0.086 0.000 0.641 100 G HN 0.132 nan 8.290 nan 0.000 0.533 101 L N 0.491 121.775 121.223 0.101 0.000 2.513 101 L HA 0.372 4.712 4.340 -0.000 0.000 0.272 101 L C 1.521 178.417 176.870 0.043 0.000 1.187 101 L CA 1.177 56.055 54.840 0.063 0.000 0.895 101 L CB 0.880 42.974 42.059 0.059 0.000 1.147 101 L HN 0.296 nan 8.230 nan 0.000 0.483 102 K N 2.518 122.935 120.400 0.029 0.000 2.354 102 K HA 0.121 4.441 4.320 -0.000 0.000 0.194 102 K C 0.638 177.246 176.600 0.014 0.000 1.038 102 K CA 0.074 56.374 56.287 0.021 0.000 1.052 102 K CB 0.087 32.598 32.500 0.018 0.000 0.861 102 K HN 0.799 nan 8.250 nan 0.000 0.535 103 C N 0.448 119.754 119.300 0.010 0.000 2.411 103 C HA 0.366 4.826 4.460 -0.000 0.000 0.358 103 C C 0.426 175.419 174.990 0.004 0.000 1.349 103 C CA -1.139 57.881 59.018 0.003 0.000 2.326 103 C CB 0.633 28.370 27.740 -0.005 0.000 2.166 103 C HN 0.384 nan 8.230 nan 0.000 0.609 104 E N 0.230 120.429 120.200 -0.001 0.000 2.227 104 E HA 0.450 4.800 4.350 -0.000 0.000 0.282 104 E C -1.348 175.249 176.600 -0.005 0.000 1.015 104 E CA -0.449 55.951 56.400 0.000 0.000 0.823 104 E CB 0.777 30.475 29.700 -0.002 0.000 1.081 104 E HN 0.728 nan 8.360 nan 0.000 0.396 105 L N 6.882 128.105 121.223 -0.000 0.000 2.265 105 L HA 0.397 4.737 4.340 -0.000 0.000 0.289 105 L C -0.984 175.885 176.870 -0.001 0.000 1.033 105 L CA -0.638 54.197 54.840 -0.007 0.000 0.814 105 L CB 0.639 42.697 42.059 -0.002 0.000 1.203 105 L HN 0.627 nan 8.230 nan 0.000 0.423 106 L N 3.972 125.190 121.223 -0.009 0.000 2.334 106 L HA 0.710 5.050 4.340 -0.000 0.000 0.273 106 L C -0.082 176.789 176.870 0.002 0.000 1.013 106 L CA -0.625 54.213 54.840 -0.003 0.000 0.816 106 L CB 1.951 44.003 42.059 -0.012 0.000 1.278 106 L HN 0.601 nan 8.230 nan 0.000 0.431 107 A N 2.137 124.969 122.820 0.020 0.000 2.304 107 A HA 0.513 4.833 4.320 -0.000 0.000 0.314 107 A C -0.652 176.949 177.584 0.030 0.000 1.187 107 A CA -0.642 51.420 52.037 0.041 0.000 0.810 107 A CB 1.061 20.118 19.000 0.095 0.000 1.183 107 A HN 0.484 nan 8.150 nan 0.000 0.487 108 K N 2.299 122.709 120.400 0.017 0.000 2.250 108 K HA 0.222 4.542 4.320 -0.000 0.000 0.285 108 K C -0.872 175.733 176.600 0.009 0.000 1.097 108 K CA -0.120 56.164 56.287 -0.005 0.000 0.913 108 K CB 0.030 32.523 32.500 -0.012 0.000 1.179 108 K HN 0.734 nan 8.250 nan 0.000 0.462 109 C N 3.808 123.081 119.300 -0.045 0.000 2.311 109 C HA 0.159 4.619 4.460 -0.000 0.000 0.357 109 C C 1.631 176.472 174.990 -0.249 0.000 1.086 109 C CA -0.695 58.193 59.018 -0.216 0.000 1.486 109 C CB -1.001 26.485 27.740 -0.424 0.000 1.974 109 C HN 0.688 nan 8.230 nan 0.000 0.508 110 E N 1.184 121.346 120.200 -0.064 0.000 2.482 110 E HA -0.003 4.346 4.350 -0.000 0.000 0.196 110 E C 1.323 177.942 176.600 0.032 0.000 1.047 110 E CA 0.465 56.871 56.400 0.010 0.000 0.869 110 E CB -0.146 29.600 29.700 0.076 0.000 0.836 110 E HN 0.850 nan 8.360 nan 0.000 0.520 111 F N -2.538 117.445 119.950 0.055 0.000 2.771 111 F HA 0.145 4.672 4.527 -0.000 0.000 0.299 111 F C 0.905 176.606 175.800 -0.164 0.000 1.177 111 F CA 0.046 58.008 58.000 -0.064 0.000 1.450 111 F CB -0.564 38.359 39.000 -0.129 0.000 1.114 111 F HN -0.089 nan 8.300 nan 0.000 0.587 112 F N 0.324 120.146 119.950 -0.215 0.000 2.727 112 F HA 0.173 4.700 4.527 -0.000 0.000 0.302 112 F C 1.004 176.775 175.800 -0.048 0.000 1.097 112 F CA -0.451 57.472 58.000 -0.128 0.000 1.330 112 F CB -0.399 38.463 39.000 -0.230 0.000 1.084 112 F HN -0.122 nan 8.300 nan 0.000 0.578 113 N N 0.682 119.446 118.700 0.106 0.000 2.453 113 N HA 0.057 4.797 4.740 -0.000 0.000 0.253 113 N C 1.417 176.968 175.510 0.068 0.000 1.252 113 N CA 0.677 53.772 53.050 0.075 0.000 0.917 113 N CB 0.912 39.433 38.487 0.057 0.000 1.117 113 N HN 0.142 nan 8.380 nan 0.000 0.442 114 A N 2.073 124.925 122.820 0.053 0.000 1.954 114 A HA -0.202 4.118 4.320 -0.000 0.000 0.222 114 A C 1.799 179.406 177.584 0.037 0.000 1.199 114 A CA 2.386 54.449 52.037 0.043 0.000 0.657 114 A CB -0.977 18.042 19.000 0.031 0.000 0.823 114 A HN 0.740 nan 8.150 nan 0.000 0.463 115 G N -3.121 105.700 108.800 0.035 0.000 3.042 115 G HA2 0.396 4.356 3.960 -0.000 0.000 0.212 115 G HA3 0.396 4.356 3.960 -0.000 0.000 0.212 115 G C 1.139 176.058 174.900 0.032 0.000 1.166 115 G CA 0.707 45.824 45.100 0.028 0.000 0.767 115 G HN 1.752 nan 8.290 nan 0.000 0.546 116 G N -0.616 108.213 108.800 0.048 0.000 2.157 116 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.239 116 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.239 116 G C 0.320 175.280 174.900 0.100 0.000 0.982 116 G CA 0.729 45.868 45.100 0.065 0.000 0.650 116 G HN 1.671 nan 8.290 nan 0.000 0.527 117 S N -2.265 113.487 115.700 0.087 0.000 2.607 117 S HA 0.664 5.134 4.470 -0.000 0.000 0.273 117 S C 0.701 175.357 174.600 0.093 0.000 1.148 117 S CA 0.285 58.548 58.200 0.104 0.000 0.833 117 S CB 1.769 65.021 63.200 0.087 0.000 1.130 117 S HN 1.393 nan 8.310 nan 0.000 0.470 118 V N 1.408 121.385 119.914 0.105 0.000 3.078 118 V HA -0.020 4.100 4.120 -0.000 0.000 0.265 118 V C 1.672 177.834 176.094 0.114 0.000 1.122 118 V CA 1.499 63.868 62.300 0.115 0.000 1.141 118 V CB -0.890 31.001 31.823 0.113 0.000 0.735 118 V HN 0.810 nan 8.190 nan 0.000 0.498 119 K N 0.168 120.617 120.400 0.080 0.000 2.365 119 K HA -0.061 4.259 4.320 -0.000 0.000 0.199 119 K C 1.588 178.204 176.600 0.026 0.000 1.045 119 K CA 1.089 57.408 56.287 0.052 0.000 0.962 119 K CB -0.429 32.094 32.500 0.039 0.000 0.759 119 K HN 0.537 nan 8.250 nan 0.000 0.469 120 D N 0.678 121.097 120.400 0.031 0.000 2.218 120 D HA -0.114 4.526 4.640 -0.000 0.000 0.204 120 D C 1.929 178.226 176.300 -0.005 0.000 0.976 120 D CA 0.785 54.795 54.000 0.016 0.000 0.853 120 D CB 0.041 40.857 40.800 0.026 0.000 0.939 120 D HN 0.188 nan 8.370 nan 0.000 0.481 121 R N 0.404 120.895 120.500 -0.015 0.000 2.061 121 R HA -0.020 4.320 4.340 -0.000 0.000 0.230 121 R C 2.652 178.886 176.300 -0.110 0.000 1.140 121 R CA 1.126 57.183 56.100 -0.073 0.000 0.940 121 R CB -0.491 29.735 30.300 -0.123 0.000 0.839 121 R HN 0.303 nan 8.270 nan 0.000 0.429 122 I N -1.048 119.451 120.570 -0.119 0.000 2.454 122 I HA -0.152 4.018 4.170 -0.000 0.000 0.254 122 I C 1.697 177.770 176.117 -0.073 0.000 1.156 122 I CA 1.451 62.681 61.300 -0.117 0.000 1.433 122 I CB -0.165 37.785 38.000 -0.084 0.000 1.082 122 I HN -0.062 nan 8.210 nan 0.000 0.432 123 S N 1.629 117.301 115.700 -0.047 0.000 2.345 123 S HA -0.092 4.378 4.470 -0.000 0.000 0.220 123 S C 1.879 176.459 174.600 -0.032 0.000 1.031 123 S CA 1.549 59.728 58.200 -0.034 0.000 0.996 123 S CB -0.593 62.599 63.200 -0.013 0.000 0.882 123 S HN 0.510 nan 8.310 nan 0.000 0.445 124 L N 2.182 123.390 121.223 -0.025 0.000 2.012 124 L HA -0.039 4.301 4.340 -0.000 0.000 0.210 124 L C 2.265 179.118 176.870 -0.027 0.000 1.073 124 L CA 1.821 56.652 54.840 -0.014 0.000 0.748 124 L CB -0.634 41.418 42.059 -0.012 0.000 0.891 124 L HN 0.073 nan 8.230 nan 0.000 0.431 125 R N -0.728 119.742 120.500 -0.051 0.000 2.096 125 R HA -0.091 4.249 4.340 -0.000 0.000 0.235 125 R C 2.156 178.424 176.300 -0.055 0.000 1.127 125 R CA 1.935 58.000 56.100 -0.057 0.000 0.968 125 R CB -0.450 29.795 30.300 -0.092 0.000 0.861 125 R HN 0.453 nan 8.270 nan 0.000 0.440 126 M N -0.796 118.766 119.600 -0.064 0.000 2.200 126 M HA -0.059 4.421 4.480 -0.000 0.000 0.265 126 M C 1.985 178.235 176.300 -0.082 0.000 1.066 126 M CA 1.388 56.646 55.300 -0.070 0.000 1.127 126 M CB -0.112 32.445 32.600 -0.072 0.000 1.379 126 M HN 0.139 nan 8.290 nan 0.000 0.420 127 I N -0.176 120.348 120.570 -0.077 0.000 2.233 127 I HA -0.256 3.913 4.170 -0.000 0.000 0.243 127 I C 2.150 178.232 176.117 -0.059 0.000 1.093 127 I CA 1.351 62.591 61.300 -0.100 0.000 1.380 127 I CB -0.321 37.650 38.000 -0.049 0.000 1.067 127 I HN 0.316 nan 8.210 nan 0.000 0.413 128 E N 0.710 120.899 120.200 -0.019 0.000 2.077 128 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 128 E C 1.684 178.284 176.600 0.001 0.000 0.989 128 E CA 1.403 57.806 56.400 0.006 0.000 0.800 128 E CB -0.008 29.703 29.700 0.017 0.000 0.746 128 E HN 0.404 nan 8.360 nan 0.000 0.452 129 D N 0.015 120.411 120.400 -0.008 0.000 2.144 129 D HA -0.107 4.533 4.640 -0.000 0.000 0.199 129 D C 1.721 177.999 176.300 -0.037 0.000 0.984 129 D CA 1.127 55.129 54.000 0.002 0.000 0.834 129 D CB -0.147 40.653 40.800 -0.000 0.000 0.955 129 D HN 0.165 nan 8.370 nan 0.000 0.465 130 A N 0.515 123.289 122.820 -0.077 0.000 2.014 130 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 130 A C 2.013 179.525 177.584 -0.120 0.000 1.163 130 A CA 1.034 52.995 52.037 -0.126 0.000 0.652 130 A CB -0.238 18.636 19.000 -0.210 0.000 0.808 130 A HN 0.169 nan 8.150 nan 0.000 0.449 131 E N -0.691 119.463 120.200 -0.077 0.000 2.051 131 E HA -0.102 4.248 4.350 -0.000 0.000 0.189 131 E C 2.281 178.864 176.600 -0.029 0.000 0.979 131 E CA 0.666 57.046 56.400 -0.033 0.000 0.803 131 E CB -0.161 29.554 29.700 0.024 0.000 0.761 131 E HN 0.518 nan 8.360 nan 0.000 0.451 132 R N 1.013 121.496 120.500 -0.029 0.000 2.105 132 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 132 R C 1.672 177.933 176.300 -0.064 0.000 1.135 132 R CA 1.549 57.619 56.100 -0.050 0.000 0.967 132 R CB -0.064 30.197 30.300 -0.065 0.000 0.861 132 R HN 0.086 nan 8.270 nan 0.000 0.442 133 D N -1.283 119.082 120.400 -0.059 0.000 2.218 133 D HA -0.082 4.558 4.640 -0.000 0.000 0.204 133 D C 1.187 177.461 176.300 -0.044 0.000 0.976 133 D CA 1.608 55.575 54.000 -0.054 0.000 0.853 133 D CB 0.060 40.828 40.800 -0.053 0.000 0.939 133 D HN 0.570 nan 8.370 nan 0.000 0.481 134 G N -1.280 107.494 108.800 -0.043 0.000 2.213 134 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.236 134 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.236 134 G C 1.383 176.265 174.900 -0.030 0.000 0.991 134 G CA 0.912 45.996 45.100 -0.027 0.000 0.629 134 G HN 0.366 nan 8.290 nan 0.000 0.517 135 T N 0.060 114.576 114.554 -0.063 0.000 2.668 135 T HA 0.082 4.432 4.350 -0.000 0.000 0.262 135 T C 1.025 175.592 174.700 -0.220 0.000 1.045 135 T CA 1.392 63.435 62.100 -0.095 0.000 1.152 135 T CB -0.019 68.767 68.868 -0.136 0.000 0.864 135 T HN 0.427 nan 8.240 nan 0.000 0.419 136 L N 2.953 123.987 121.223 -0.315 0.000 2.295 136 L HA 0.307 4.647 4.340 -0.000 0.000 0.288 136 L C -0.302 176.523 176.870 -0.076 0.000 1.079 136 L CA -0.178 54.429 54.840 -0.387 0.000 0.830 136 L CB 0.007 41.780 42.059 -0.477 0.000 1.200 136 L HN -0.002 nan 8.230 nan 0.000 0.438 137 K N 5.868 126.292 120.400 0.039 0.000 2.098 137 K HA 0.483 4.803 4.320 -0.000 0.000 0.261 137 K C -2.373 174.373 176.600 0.244 0.000 0.987 137 K CA -1.802 54.559 56.287 0.125 0.000 0.916 137 K CB 0.392 32.956 32.500 0.106 0.000 1.039 137 K HN 0.368 nan 8.250 nan 0.000 0.455 138 P HA -0.100 nan 4.420 nan 0.000 0.264 138 P C 0.543 177.905 177.300 0.103 0.000 1.183 138 P CA 1.141 64.293 63.100 0.086 0.000 0.763 138 P CB 0.404 32.108 31.700 0.006 0.000 0.807 139 G N 1.603 110.441 108.800 0.062 0.000 2.184 139 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.264 139 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.264 139 G C 0.212 175.229 174.900 0.196 0.000 0.975 139 G CA -0.071 45.085 45.100 0.093 0.000 0.642 139 G HN 0.479 nan 8.290 nan 0.000 0.536 140 D N 0.505 121.100 120.400 0.326 0.000 2.363 140 D HA 0.527 5.167 4.640 -0.000 0.000 0.240 140 D C 0.751 177.184 176.300 0.222 0.000 1.236 140 D CA 0.704 54.853 54.000 0.248 0.000 0.927 140 D CB 0.568 41.517 40.800 0.248 0.000 1.150 140 D HN 0.085 nan 8.370 nan 0.000 0.458 141 T N 0.739 115.371 114.554 0.130 0.000 2.824 141 T HA 0.556 4.906 4.350 -0.000 0.000 0.280 141 T C 0.131 174.854 174.700 0.038 0.000 0.995 141 T CA -0.505 61.639 62.100 0.073 0.000 1.009 141 T CB 0.606 69.487 68.868 0.021 0.000 0.955 141 T HN 0.120 nan 8.240 nan 0.000 0.452 142 I N 3.777 124.351 120.570 0.006 0.000 2.362 142 I HA 0.450 4.620 4.170 -0.000 0.000 0.289 142 I C -0.455 175.639 176.117 -0.040 0.000 0.994 142 I CA -0.680 60.599 61.300 -0.035 0.000 1.158 142 I CB 1.272 39.226 38.000 -0.076 0.000 1.315 142 I HN 0.428 nan 8.210 nan 0.000 0.451 143 I N 5.722 126.248 120.570 -0.073 0.000 2.354 143 I HA 0.368 4.538 4.170 -0.000 0.000 0.292 143 I C -0.377 175.680 176.117 -0.100 0.000 0.989 143 I CA -0.424 60.824 61.300 -0.088 0.000 1.188 143 I CB 1.798 39.718 38.000 -0.135 0.000 1.342 143 I HN 0.506 nan 8.210 nan 0.000 0.457 144 E N 8.920 129.084 120.200 -0.060 0.000 2.260 144 E HA 0.424 4.774 4.350 -0.000 0.000 0.266 144 E C -2.683 173.908 176.600 -0.015 0.000 0.887 144 E CA -2.115 54.261 56.400 -0.040 0.000 0.777 144 E CB 2.279 31.971 29.700 -0.014 0.000 1.205 144 E HN 0.127 nan 8.360 nan 0.000 0.414 145 P HA 0.235 nan 4.420 nan 0.000 0.274 145 P C -0.966 176.330 177.300 -0.007 0.000 1.504 145 P CA -0.284 62.773 63.100 -0.071 0.000 1.011 145 P CB 0.818 32.435 31.700 -0.138 0.000 1.366 146 T N 0.962 115.570 114.554 0.090 0.000 3.087 146 T HA 0.267 4.617 4.350 -0.000 0.000 0.351 146 T C 0.256 175.069 174.700 0.189 0.000 1.520 146 T CA -0.315 61.894 62.100 0.182 0.000 1.111 146 T CB 0.598 69.557 68.868 0.152 0.000 1.353 146 T HN 0.129 nan 8.240 nan 0.000 0.481 147 S N 1.585 117.420 115.700 0.226 0.000 2.574 147 S HA 0.541 5.011 4.470 -0.000 0.000 0.242 147 S C 0.841 175.529 174.600 0.145 0.000 0.982 147 S CA 0.021 58.325 58.200 0.173 0.000 0.977 147 S CB 0.378 63.687 63.200 0.182 0.000 0.814 147 S HN 0.940 nan 8.310 nan 0.000 0.464 148 G N 1.240 110.124 108.800 0.140 0.000 3.075 148 G HA2 0.367 4.327 3.960 -0.000 0.000 0.253 148 G HA3 0.367 4.327 3.960 -0.000 0.000 0.253 148 G C 0.347 175.292 174.900 0.074 0.000 1.353 148 G CA -0.758 44.412 45.100 0.117 0.000 1.051 148 G HN 0.194 nan 8.290 nan 0.000 0.553 149 N N -0.407 118.333 118.700 0.067 0.000 2.381 149 N HA -0.085 4.655 4.740 -0.000 0.000 0.182 149 N C 2.134 177.665 175.510 0.035 0.000 1.025 149 N CA 1.178 54.256 53.050 0.046 0.000 0.888 149 N CB -0.040 38.481 38.487 0.058 0.000 0.965 149 N HN 0.374 nan 8.380 nan 0.000 0.438 150 T N -0.148 114.424 114.554 0.031 0.000 2.915 150 T HA -0.038 4.312 4.350 -0.000 0.000 0.269 150 T C 1.892 176.602 174.700 0.018 0.000 1.071 150 T CA 1.168 63.275 62.100 0.012 0.000 1.132 150 T CB -0.325 68.536 68.868 -0.011 0.000 0.878 150 T HN 0.354 nan 8.240 nan 0.000 0.479 151 G N 1.399 110.218 108.800 0.033 0.000 2.404 151 G HA2 -0.109 3.851 3.960 -0.000 0.000 0.215 151 G HA3 -0.109 3.851 3.960 -0.000 0.000 0.215 151 G C 1.491 176.406 174.900 0.024 0.000 1.174 151 G CA 0.409 45.528 45.100 0.032 0.000 0.780 151 G HN 0.485 nan 8.290 nan 0.000 0.537 152 I N 1.287 121.870 120.570 0.022 0.000 2.252 152 I HA -0.063 4.107 4.170 -0.000 0.000 0.245 152 I C 3.091 179.218 176.117 0.017 0.000 1.102 152 I CA 0.941 62.251 61.300 0.016 0.000 1.385 152 I CB -0.499 37.505 38.000 0.008 0.000 1.064 152 I HN 0.239 nan 8.210 nan 0.000 0.414 153 G N 1.292 110.102 108.800 0.018 0.000 2.446 153 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.217 153 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.217 153 G C 1.710 176.620 174.900 0.017 0.000 1.168 153 G CA 0.662 45.773 45.100 0.017 0.000 0.771 153 G HN 0.262 nan 8.290 nan 0.000 0.551 154 L N 0.719 121.950 121.223 0.013 0.000 2.046 154 L HA -0.045 4.295 4.340 -0.000 0.000 0.208 154 L C 3.435 180.323 176.870 0.031 0.000 1.077 154 L CA 1.011 55.859 54.840 0.014 0.000 0.747 154 L CB -0.445 41.614 42.059 -0.000 0.000 0.896 154 L HN 0.306 nan 8.230 nan 0.000 0.432 155 A N 0.150 122.987 122.820 0.027 0.000 1.883 155 A HA -0.244 4.076 4.320 -0.000 0.000 0.217 155 A C 2.208 179.813 177.584 0.035 0.000 1.186 155 A CA 1.934 53.990 52.037 0.032 0.000 0.624 155 A CB -0.786 18.228 19.000 0.024 0.000 0.822 155 A HN 0.325 nan 8.150 nan 0.000 0.444 156 L N -0.045 121.195 121.223 0.028 0.000 1.970 156 L HA -0.100 4.240 4.340 -0.000 0.000 0.212 156 L C 2.630 179.520 176.870 0.034 0.000 1.071 156 L CA 2.622 57.478 54.840 0.026 0.000 0.751 156 L CB -1.146 40.926 42.059 0.022 0.000 0.889 156 L HN 0.339 nan 8.230 nan 0.000 0.432 157 A N -0.574 122.271 122.820 0.043 0.000 1.972 157 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 157 A C 2.431 180.076 177.584 0.101 0.000 1.169 157 A CA 1.877 53.950 52.037 0.060 0.000 0.635 157 A CB -1.159 17.877 19.000 0.060 0.000 0.810 157 A HN 0.663 nan 8.150 nan 0.000 0.446 158 A N -0.019 122.870 122.820 0.115 0.000 1.877 158 A HA 0.163 4.483 4.320 -0.000 0.000 0.216 158 A C 2.516 180.148 177.584 0.079 0.000 1.186 158 A CA 2.049 54.190 52.037 0.173 0.000 0.620 158 A CB -1.086 18.000 19.000 0.144 0.000 0.822 158 A HN 1.091 nan 8.150 nan 0.000 0.443 159 A N -0.651 122.196 122.820 0.044 0.000 1.972 159 A HA 0.024 4.344 4.320 -0.000 0.000 0.219 159 A C 2.184 179.760 177.584 -0.012 0.000 1.169 159 A CA 1.831 53.875 52.037 0.012 0.000 0.635 159 A CB -0.750 18.257 19.000 0.012 0.000 0.810 159 A HN 0.402 nan 8.150 nan 0.000 0.446 160 V N 0.023 119.934 119.914 -0.005 0.000 2.407 160 V HA -0.136 3.984 4.120 -0.000 0.000 0.245 160 V C 2.412 178.470 176.094 -0.061 0.000 1.041 160 V CA 1.685 63.971 62.300 -0.022 0.000 1.040 160 V CB -0.692 31.128 31.823 -0.004 0.000 0.671 160 V HN 0.469 nan 8.190 nan 0.000 0.455 161 R N 0.413 120.861 120.500 -0.086 0.000 2.276 161 R HA 0.207 4.547 4.340 -0.000 0.000 0.196 161 R C 1.530 177.572 176.300 -0.429 0.000 0.961 161 R CA 0.837 56.802 56.100 -0.225 0.000 1.024 161 R CB -0.313 29.870 30.300 -0.196 0.000 0.940 161 R HN 0.613 nan 8.270 nan 0.000 0.480 162 G N 0.944 109.560 108.800 -0.306 0.000 2.207 162 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.216 162 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.216 162 G C -0.513 174.195 174.900 -0.320 0.000 1.053 162 G CA -0.325 44.608 45.100 -0.280 0.000 0.764 162 G HN 0.329 nan 8.290 nan 0.000 0.495 163 Y N -0.710 119.590 120.300 0.001 0.000 2.446 163 Y HA 0.644 5.194 4.550 -0.000 0.000 0.338 163 Y C 0.922 176.825 175.900 0.005 0.000 1.055 163 Y CA -1.172 56.931 58.100 0.005 0.000 1.101 163 Y CB 1.206 39.667 38.460 0.003 0.000 1.221 163 Y HN 0.206 nan 8.280 nan 0.000 0.460 164 R N 1.678 122.294 120.500 0.193 0.000 2.441 164 R HA 0.489 4.829 4.340 -0.000 0.000 0.284 164 R C -1.433 174.921 176.300 0.089 0.000 1.070 164 R CA -0.198 55.963 56.100 0.101 0.000 1.047 164 R CB 0.739 31.082 30.300 0.071 0.000 1.016 164 R HN 0.796 nan 8.270 nan 0.000 0.477 165 C N 6.459 125.794 119.300 0.059 0.000 2.441 165 C HA 0.611 5.071 4.460 -0.000 0.000 0.318 165 C C -0.754 174.250 174.990 0.022 0.000 1.222 165 C CA -0.633 58.408 59.018 0.039 0.000 1.474 165 C CB 0.295 28.061 27.740 0.044 0.000 2.125 165 C HN 0.843 nan 8.230 nan 0.000 0.479 166 I N 6.899 127.474 120.570 0.008 0.000 2.468 166 I HA 0.395 4.565 4.170 -0.000 0.000 0.284 166 I C -0.775 175.343 176.117 0.003 0.000 1.038 166 I CA -0.309 60.994 61.300 0.004 0.000 1.083 166 I CB 1.352 39.348 38.000 -0.006 0.000 1.223 166 I HN 0.425 nan 8.210 nan 0.000 0.443 167 I N 7.043 127.623 120.570 0.016 0.000 2.385 167 I HA 0.350 4.520 4.170 -0.000 0.000 0.294 167 I C -0.165 175.976 176.117 0.040 0.000 0.988 167 I CA -0.526 60.791 61.300 0.027 0.000 1.265 167 I CB 1.831 39.854 38.000 0.038 0.000 1.388 167 I HN 0.135 nan 8.210 nan 0.000 0.480 168 V N 7.332 127.277 119.914 0.051 0.000 2.378 168 V HA 0.619 4.739 4.120 -0.000 0.000 0.288 168 V C -0.067 176.128 176.094 0.168 0.000 1.016 168 V CA -0.564 61.786 62.300 0.082 0.000 0.840 168 V CB 1.149 33.004 31.823 0.054 0.000 0.994 168 V HN 0.781 nan 8.190 nan 0.000 0.431 169 M N 4.628 124.346 119.600 0.196 0.000 2.631 169 M HA 0.788 5.268 4.480 -0.000 0.000 0.288 169 M C -3.024 173.369 176.300 0.154 0.000 1.260 169 M CA -2.096 53.362 55.300 0.264 0.000 0.842 169 M CB 2.221 34.923 32.600 0.169 0.000 1.743 169 M HN 0.185 nan 8.290 nan 0.000 0.461 170 P HA -0.051 nan 4.420 nan 0.000 0.282 170 P C -0.249 177.061 177.300 0.017 0.000 1.273 170 P CA 0.200 63.284 63.100 -0.028 0.000 0.809 170 P CB 0.203 31.853 31.700 -0.082 0.000 1.246 171 E N -1.146 119.057 120.200 0.005 0.000 2.474 171 E HA 0.034 4.384 4.350 -0.000 0.000 0.195 171 E C 0.374 176.987 176.600 0.021 0.000 1.039 171 E CA 0.261 56.671 56.400 0.016 0.000 0.881 171 E CB -0.012 29.694 29.700 0.010 0.000 0.970 171 E HN 0.136 nan 8.360 nan 0.000 0.486 172 K N 0.214 120.628 120.400 0.024 0.000 3.590 172 K HA 0.320 4.640 4.320 -0.000 0.000 0.170 172 K C -0.031 176.596 176.600 0.044 0.000 1.138 172 K CA -0.278 56.031 56.287 0.036 0.000 1.560 172 K CB -0.062 32.462 32.500 0.041 0.000 2.149 172 K HN -0.090 nan 8.250 nan 0.000 0.487 173 M N 0.821 120.455 119.600 0.057 0.000 4.047 173 M HA -0.158 4.322 4.480 -0.000 0.000 0.157 173 M C -0.849 175.479 176.300 0.047 0.000 1.532 173 M CA 0.089 55.425 55.300 0.060 0.000 1.097 173 M CB -1.520 31.116 32.600 0.059 0.000 1.346 173 M HN 0.444 nan 8.290 nan 0.000 0.190 174 S N 2.851 118.577 115.700 0.044 0.000 2.559 174 S HA 0.119 4.589 4.470 -0.000 0.000 0.282 174 S C 1.270 175.869 174.600 -0.002 0.000 1.336 174 S CA 0.001 58.212 58.200 0.017 0.000 1.037 174 S CB 0.608 63.801 63.200 -0.012 0.000 0.853 174 S HN 0.723 nan 8.310 nan 0.000 0.523 175 S N 1.469 117.162 115.700 -0.012 0.000 2.414 175 S HA -0.068 4.401 4.470 -0.000 0.000 0.227 175 S C 1.778 176.356 174.600 -0.037 0.000 1.022 175 S CA 0.654 58.844 58.200 -0.017 0.000 0.958 175 S CB -0.263 62.929 63.200 -0.014 0.000 0.797 175 S HN 0.660 nan 8.310 nan 0.000 0.493 176 E N 1.747 121.909 120.200 -0.063 0.000 2.097 176 E HA -0.142 4.208 4.350 -0.000 0.000 0.196 176 E C 1.961 178.512 176.600 -0.082 0.000 1.000 176 E CA 1.370 57.714 56.400 -0.093 0.000 0.804 176 E CB -0.080 29.528 29.700 -0.153 0.000 0.740 176 E HN 0.446 nan 8.360 nan 0.000 0.454 177 K N -0.602 119.756 120.400 -0.071 0.000 2.098 177 K HA 0.027 4.347 4.320 -0.000 0.000 0.203 177 K C 2.116 178.704 176.600 -0.019 0.000 1.051 177 K CA 0.867 57.125 56.287 -0.048 0.000 0.957 177 K CB 0.008 32.487 32.500 -0.035 0.000 0.738 177 K HN -0.034 nan 8.250 nan 0.000 0.447 178 V N 2.379 122.288 119.914 -0.009 0.000 2.343 178 V HA -0.240 3.880 4.120 -0.000 0.000 0.247 178 V C 1.647 177.739 176.094 -0.003 0.000 1.051 178 V CA 1.847 64.149 62.300 0.003 0.000 1.036 178 V CB -0.358 31.471 31.823 0.009 0.000 0.654 178 V HN 0.300 nan 8.190 nan 0.000 0.451 179 D N -0.218 120.175 120.400 -0.011 0.000 2.178 179 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 179 D C 2.148 178.441 176.300 -0.013 0.000 0.974 179 D CA 1.052 55.045 54.000 -0.011 0.000 0.841 179 D CB 0.106 40.896 40.800 -0.016 0.000 0.953 179 D HN 0.336 nan 8.370 nan 0.000 0.478 180 V N 1.240 121.143 119.914 -0.019 0.000 2.379 180 V HA -0.177 3.943 4.120 -0.000 0.000 0.245 180 V C 2.648 178.738 176.094 -0.006 0.000 1.044 180 V CA 0.911 63.201 62.300 -0.017 0.000 1.036 180 V CB -0.304 31.502 31.823 -0.027 0.000 0.664 180 V HN 0.169 nan 8.190 nan 0.000 0.453 181 L N -0.431 120.791 121.223 -0.002 0.000 1.994 181 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 181 L C 2.800 179.675 176.870 0.008 0.000 1.071 181 L CA 1.802 56.647 54.840 0.007 0.000 0.745 181 L CB -0.565 41.502 42.059 0.013 0.000 0.892 181 L HN 0.239 nan 8.230 nan 0.000 0.431 182 R N -0.239 120.265 120.500 0.006 0.000 2.120 182 R HA -0.133 4.207 4.340 -0.000 0.000 0.234 182 R C 2.300 178.603 176.300 0.005 0.000 1.123 182 R CA 1.206 57.310 56.100 0.007 0.000 0.975 182 R CB -0.454 29.849 30.300 0.005 0.000 0.866 182 R HN 0.364 nan 8.270 nan 0.000 0.446 183 A N 0.982 123.803 122.820 0.002 0.000 1.968 183 A HA -0.030 4.290 4.320 -0.000 0.000 0.217 183 A C 1.961 179.547 177.584 0.003 0.000 1.169 183 A CA 0.838 52.876 52.037 0.000 0.000 0.638 183 A CB -0.210 18.788 19.000 -0.003 0.000 0.812 183 A HN 0.177 nan 8.150 nan 0.000 0.446 184 L N -1.096 120.131 121.223 0.006 0.000 2.599 184 L HA 0.166 4.506 4.340 -0.000 0.000 0.230 184 L C 1.640 178.517 176.870 0.012 0.000 1.141 184 L CA 0.571 55.417 54.840 0.009 0.000 0.877 184 L CB -0.146 41.920 42.059 0.012 0.000 1.009 184 L HN 0.574 nan 8.230 nan 0.000 0.447 185 G N -0.123 108.683 108.800 0.011 0.000 2.141 185 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.242 185 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.242 185 G C 0.347 175.257 174.900 0.017 0.000 0.982 185 G CA -0.033 45.075 45.100 0.012 0.000 0.662 185 G HN 0.480 nan 8.290 nan 0.000 0.527 186 A N 0.203 123.033 122.820 0.018 0.000 2.409 186 A HA 0.606 4.926 4.320 -0.000 0.000 0.262 186 A C 0.470 178.065 177.584 0.018 0.000 1.113 186 A CA -0.004 52.046 52.037 0.021 0.000 0.790 186 A CB 0.315 19.328 19.000 0.022 0.000 1.046 186 A HN 0.490 nan 8.150 nan 0.000 0.496 187 E N 1.694 121.905 120.200 0.019 0.000 2.289 187 E HA 0.349 4.699 4.350 -0.000 0.000 0.278 187 E C -0.787 175.825 176.600 0.019 0.000 1.032 187 E CA 0.128 56.538 56.400 0.017 0.000 0.854 187 E CB 0.981 30.689 29.700 0.014 0.000 1.046 187 E HN 0.568 nan 8.360 nan 0.000 0.409 188 I N 2.684 123.267 120.570 0.021 0.000 2.412 188 I HA 0.275 4.445 4.170 -0.000 0.000 0.296 188 I C -0.502 175.632 176.117 0.029 0.000 0.987 188 I CA -1.003 60.313 61.300 0.028 0.000 1.180 188 I CB 1.700 39.717 38.000 0.029 0.000 1.340 188 I HN 0.185 nan 8.210 nan 0.000 0.455 189 V N 6.342 126.278 119.914 0.037 0.000 2.407 189 V HA 0.433 4.552 4.120 -0.000 0.000 0.291 189 V C -0.131 175.994 176.094 0.053 0.000 1.018 189 V CA -0.798 61.526 62.300 0.039 0.000 0.842 189 V CB 1.666 33.510 31.823 0.035 0.000 0.996 189 V HN 0.604 nan 8.190 nan 0.000 0.426 190 R N 2.750 123.276 120.500 0.044 0.000 2.312 190 R HA 0.575 4.915 4.340 -0.000 0.000 0.311 190 R C 0.140 176.467 176.300 0.045 0.000 1.004 190 R CA -0.319 55.809 56.100 0.046 0.000 0.902 190 R CB 1.781 32.101 30.300 0.033 0.000 1.073 190 R HN 0.842 nan 8.270 nan 0.000 0.457 191 T N -0.486 114.099 114.554 0.051 0.000 2.888 191 T HA 0.395 4.745 4.350 -0.000 0.000 0.284 191 T C -1.545 173.166 174.700 0.018 0.000 1.017 191 T CA -1.781 60.345 62.100 0.043 0.000 1.022 191 T CB 2.192 71.103 68.868 0.072 0.000 1.013 191 T HN 0.214 nan 8.240 nan 0.000 0.465 192 P HA 0.027 nan 4.420 nan 0.000 0.199 192 P C 1.225 178.519 177.300 -0.010 0.000 1.118 192 P CA 2.074 65.175 63.100 0.001 0.000 0.913 192 P CB -1.142 30.559 31.700 0.001 0.000 0.738 202 S N -1.182 114.571 115.700 0.088 0.000 2.431 202 S HA 0.003 4.473 4.470 -0.000 0.000 0.210 202 S C 1.933 176.630 174.600 0.161 0.000 1.013 202 S CA 1.681 59.924 58.200 0.071 0.000 0.920 202 S CB -0.979 62.235 63.200 0.023 0.000 0.882 202 S HN 1.187 nan 8.310 nan 0.000 0.567 203 H N 0.482 119.570 119.070 0.032 0.000 2.462 203 H HA 0.231 4.787 4.556 -0.000 0.000 0.292 203 H C 1.808 177.187 175.328 0.084 0.000 1.049 203 H CA 0.818 56.900 56.048 0.055 0.000 1.334 203 H CB -0.332 29.475 29.762 0.075 0.000 1.404 203 H HN 0.261 nan 8.280 nan 0.000 0.544 204 V N 1.461 121.439 119.914 0.107 0.000 2.427 204 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 204 V C 2.820 178.964 176.094 0.084 0.000 1.051 204 V CA 1.697 64.031 62.300 0.055 0.000 1.048 204 V CB -0.789 31.102 31.823 0.115 0.000 0.666 204 V HN 0.749 nan 8.190 nan 0.000 0.456 205 G N 0.007 108.785 108.800 -0.037 0.000 2.408 205 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.217 205 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.217 205 G C 1.616 176.532 174.900 0.027 0.000 1.150 205 G CA 1.177 46.216 45.100 -0.101 0.000 0.776 205 G HN 0.402 nan 8.290 nan 0.000 0.542 206 V N 1.452 121.395 119.914 0.049 0.000 2.515 206 V HA -0.063 4.057 4.120 -0.000 0.000 0.250 206 V C 3.244 179.368 176.094 0.051 0.000 1.058 206 V CA 1.703 64.032 62.300 0.050 0.000 1.064 206 V CB -0.722 31.135 31.823 0.057 0.000 0.675 206 V HN 0.472 nan 8.190 nan 0.000 0.461 207 A N -0.372 122.486 122.820 0.063 0.000 1.851 207 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 207 A C 2.117 179.683 177.584 -0.031 0.000 1.195 207 A CA 1.844 53.880 52.037 -0.002 0.000 0.622 207 A CB -0.860 18.137 19.000 -0.006 0.000 0.831 207 A HN 0.639 nan 8.150 nan 0.000 0.444 208 W N 0.173 121.459 121.300 -0.023 0.000 2.392 208 W HA -0.111 4.549 4.660 -0.000 0.000 0.279 208 W C 2.575 179.083 176.519 -0.019 0.000 1.225 208 W CA 1.654 58.996 57.345 -0.004 0.000 1.233 208 W CB -0.264 29.189 29.460 -0.011 0.000 1.122 208 W HN 0.472 nan 8.180 nan 0.000 0.561 209 R N 0.580 121.164 120.500 0.140 0.000 2.062 209 R HA -0.163 4.177 4.340 -0.000 0.000 0.231 209 R C 2.348 178.664 176.300 0.028 0.000 1.136 209 R CA 1.375 57.519 56.100 0.073 0.000 0.948 209 R CB -0.803 29.522 30.300 0.041 0.000 0.845 209 R HN 0.165 nan 8.270 nan 0.000 0.430 210 L N 1.130 122.354 121.223 0.001 0.000 2.079 210 L HA -0.177 4.163 4.340 -0.000 0.000 0.210 210 L C 2.765 179.600 176.870 -0.058 0.000 1.081 210 L CA 1.534 56.358 54.840 -0.026 0.000 0.752 210 L CB -0.453 41.586 42.059 -0.033 0.000 0.896 210 L HN 0.261 nan 8.230 nan 0.000 0.433 211 K N 0.270 120.611 120.400 -0.099 0.000 2.097 211 K HA -0.180 4.140 4.320 -0.000 0.000 0.206 211 K C 1.719 178.266 176.600 -0.088 0.000 1.049 211 K CA 1.508 57.706 56.287 -0.149 0.000 0.933 211 K CB 0.030 32.364 32.500 -0.276 0.000 0.717 211 K HN 0.363 nan 8.250 nan 0.000 0.442 212 N N 0.802 119.485 118.700 -0.027 0.000 2.409 212 N HA -0.079 4.661 4.740 -0.000 0.000 0.179 212 N C 0.842 176.345 175.510 -0.010 0.000 1.032 212 N CA 0.863 53.913 53.050 -0.001 0.000 0.898 212 N CB 0.258 38.771 38.487 0.043 0.000 0.971 212 N HN 0.409 nan 8.380 nan 0.000 0.441 213 E N 0.134 120.324 120.200 -0.016 0.000 2.400 213 E HA 0.180 4.530 4.350 -0.000 0.000 0.195 213 E C 0.104 176.691 176.600 -0.023 0.000 1.012 213 E CA 0.255 56.647 56.400 -0.013 0.000 0.875 213 E CB 0.730 30.426 29.700 -0.007 0.000 0.859 213 E HN 0.272 nan 8.360 nan 0.000 0.498 214 I N 2.459 123.005 120.570 -0.040 0.000 2.382 214 I HA 0.260 4.430 4.170 -0.000 0.000 0.286 214 I C -2.491 173.589 176.117 -0.062 0.000 1.002 214 I CA -2.727 58.547 61.300 -0.044 0.000 1.135 214 I CB 1.479 39.451 38.000 -0.046 0.000 1.288 214 I HN -0.302 nan 8.210 nan 0.000 0.448 215 P HA 0.068 nan 4.420 nan 0.000 0.267 215 P C -0.290 176.969 177.300 -0.068 0.000 1.200 215 P CA 0.120 63.190 63.100 -0.051 0.000 0.772 215 P CB 0.272 31.957 31.700 -0.024 0.000 0.855 216 N N -1.169 117.471 118.700 -0.100 0.000 2.754 216 N HA -0.136 4.604 4.740 -0.000 0.000 0.248 216 N C -0.709 174.659 175.510 -0.237 0.000 1.093 216 N CA 0.936 53.917 53.050 -0.115 0.000 0.699 216 N CB -1.717 36.775 38.487 0.009 0.000 1.016 216 N HN 0.289 nan 8.380 nan 0.000 0.552 217 S N 0.152 115.632 115.700 -0.367 0.000 2.578 217 S HA 0.504 4.973 4.470 -0.000 0.000 0.283 217 S C -0.236 173.954 174.600 -0.684 0.000 1.195 217 S CA -0.434 57.549 58.200 -0.362 0.000 1.050 217 S CB 1.559 64.627 63.200 -0.221 0.000 1.012 217 S HN 0.217 nan 8.310 nan 0.000 0.511 218 H N 1.199 120.189 119.070 -0.133 0.000 2.947 218 H HA 0.380 4.936 4.556 -0.000 0.000 0.354 218 H C -1.129 174.079 175.328 -0.200 0.000 1.085 218 H CA -0.451 55.504 56.048 -0.155 0.000 1.253 218 H CB 1.147 30.823 29.762 -0.145 0.000 1.757 218 H HN 0.404 nan 8.280 nan 0.000 0.523 219 I N 4.150 124.628 120.570 -0.152 0.000 2.330 219 I HA 0.049 4.219 4.170 -0.000 0.000 0.286 219 I C 1.484 177.526 176.117 -0.127 0.000 1.025 219 I CA -0.232 60.917 61.300 -0.252 0.000 1.197 219 I CB 1.237 38.860 38.000 -0.628 0.000 1.358 219 I HN 0.448 nan 8.210 nan 0.000 0.467 220 L N 3.892 125.068 121.223 -0.079 0.000 1.989 220 L HA -0.129 4.211 4.340 -0.000 0.000 0.211 220 L C 0.518 177.384 176.870 -0.006 0.000 1.071 220 L CA 1.030 55.841 54.840 -0.048 0.000 0.749 220 L CB -0.262 41.758 42.059 -0.065 0.000 0.890 220 L HN 0.733 nan 8.230 nan 0.000 0.431 221 D N -0.063 120.344 120.400 0.013 0.000 4.161 221 D HA -0.180 4.460 4.640 -0.000 0.000 0.246 221 D C 1.108 177.441 176.300 0.055 0.000 1.064 221 D CA 0.792 54.853 54.000 0.101 0.000 1.187 221 D CB -0.145 40.778 40.800 0.206 0.000 0.871 221 D HN 0.602 nan 8.370 nan 0.000 0.413 222 Q N 1.391 121.174 119.800 -0.027 0.000 2.291 222 Q HA -0.208 4.132 4.340 -0.000 0.000 0.206 222 Q C 1.251 177.118 176.000 -0.223 0.000 0.976 222 Q CA 1.195 56.900 55.803 -0.164 0.000 0.875 222 Q CB -0.286 28.280 28.738 -0.286 0.000 0.927 222 Q HN 0.703 nan 8.270 nan 0.000 0.450 223 Y N 0.673 120.979 120.300 0.011 0.000 2.457 223 Y HA 0.094 4.644 4.550 -0.000 0.000 0.292 223 Y C 1.928 177.823 175.900 -0.009 0.000 1.125 223 Y CA 0.773 58.862 58.100 -0.017 0.000 1.254 223 Y CB 0.375 38.830 38.460 -0.008 0.000 1.012 223 Y HN 0.062 nan 8.280 nan 0.000 0.555 224 R N -1.454 119.121 120.500 0.125 0.000 2.453 224 R HA 0.085 4.425 4.340 -0.000 0.000 0.233 224 R C 0.115 176.434 176.300 0.030 0.000 0.895 224 R CA -0.128 56.013 56.100 0.068 0.000 1.028 224 R CB 0.188 30.526 30.300 0.064 0.000 1.255 224 R HN -0.018 nan 8.270 nan 0.000 0.571 225 N N 1.838 120.549 118.700 0.019 0.000 2.416 225 N HA 0.030 4.770 4.740 -0.000 0.000 0.265 225 N C 0.743 176.227 175.510 -0.044 0.000 1.195 225 N CA 0.136 53.181 53.050 -0.009 0.000 0.943 225 N CB 1.488 39.965 38.487 -0.017 0.000 1.115 225 N HN 0.159 nan 8.380 nan 0.000 0.481 226 A N 3.275 126.061 122.820 -0.058 0.000 2.032 226 A HA -0.166 4.154 4.320 -0.000 0.000 0.221 226 A C 2.147 179.643 177.584 -0.146 0.000 1.165 226 A CA 1.651 53.611 52.037 -0.128 0.000 0.645 226 A CB -0.372 18.518 19.000 -0.183 0.000 0.807 226 A HN 0.712 nan 8.150 nan 0.000 0.453 227 S N 0.311 115.948 115.700 -0.105 0.000 2.419 227 S HA -0.203 4.267 4.470 -0.000 0.000 0.235 227 S C 1.954 176.488 174.600 -0.111 0.000 1.019 227 S CA 1.253 59.392 58.200 -0.102 0.000 0.982 227 S CB -0.457 62.697 63.200 -0.076 0.000 0.789 227 S HN 0.811 nan 8.310 nan 0.000 0.490 228 N N 2.258 120.901 118.700 -0.095 0.000 2.048 228 N HA -0.041 4.699 4.740 -0.000 0.000 0.193 228 N C -0.968 174.516 175.510 -0.044 0.000 1.061 228 N CA 1.520 54.522 53.050 -0.080 0.000 0.849 228 N CB -1.220 37.231 38.487 -0.060 0.000 1.044 228 N HN 0.201 nan 8.380 nan 0.000 0.429 229 P HA -0.099 nan 4.420 nan 0.000 0.220 229 P C 1.757 179.050 177.300 -0.012 0.000 1.148 229 P CA 0.997 64.104 63.100 0.011 0.000 0.803 229 P CB -0.024 31.632 31.700 -0.074 0.000 0.782 230 L N -0.470 120.703 121.223 -0.085 0.000 2.093 230 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 230 L C 2.844 179.711 176.870 -0.004 0.000 1.085 230 L CA 1.406 56.220 54.840 -0.043 0.000 0.755 230 L CB -1.165 40.812 42.059 -0.137 0.000 0.904 230 L HN -0.048 nan 8.230 nan 0.000 0.435 231 A N -0.435 122.310 122.820 -0.125 0.000 1.892 231 A HA -0.265 4.055 4.320 -0.000 0.000 0.218 231 A C 2.096 179.557 177.584 -0.206 0.000 1.188 231 A CA 1.767 53.676 52.037 -0.214 0.000 0.631 231 A CB -0.829 17.946 19.000 -0.375 0.000 0.822 231 A HN 0.450 nan 8.150 nan 0.000 0.447 232 H N -3.053 116.020 119.070 0.005 0.000 2.462 232 H HA -0.088 4.468 4.556 -0.000 0.000 0.292 232 H C 1.871 177.219 175.328 0.033 0.000 1.049 232 H CA 1.660 57.709 56.048 0.002 0.000 1.334 232 H CB -0.374 29.379 29.762 -0.015 0.000 1.404 232 H HN 0.750 nan 8.280 nan 0.000 0.544 233 Y N 1.746 122.058 120.300 0.019 0.000 2.337 233 Y HA -0.081 4.469 4.550 -0.000 0.000 0.293 233 Y C 1.481 177.370 175.900 -0.019 0.000 1.123 233 Y CA 0.994 59.081 58.100 -0.021 0.000 1.201 233 Y CB 0.287 38.717 38.460 -0.050 0.000 1.011 233 Y HN -0.029 nan 8.280 nan 0.000 0.545 234 D N -1.156 119.278 120.400 0.057 0.000 2.216 234 D HA -0.059 4.581 4.640 -0.000 0.000 0.208 234 D C 2.036 178.292 176.300 -0.074 0.000 0.960 234 D CA 1.938 55.919 54.000 -0.031 0.000 0.861 234 D CB -0.064 40.770 40.800 0.058 0.000 0.985 234 D HN 0.529 nan 8.370 nan 0.000 0.493 235 T N -3.007 111.516 114.554 -0.051 0.000 3.205 235 T HA 0.012 4.362 4.350 -0.000 0.000 0.238 235 T C 2.001 176.682 174.700 -0.031 0.000 0.974 235 T CA 0.865 62.935 62.100 -0.050 0.000 1.246 235 T CB -0.617 68.221 68.868 -0.050 0.000 1.007 235 T HN -0.134 nan 8.240 nan 0.000 0.414 236 T N 2.960 117.522 114.554 0.013 0.000 2.635 236 T HA -0.043 4.307 4.350 -0.000 0.000 0.267 236 T C 2.390 177.093 174.700 0.006 0.000 1.040 236 T CA 1.809 63.940 62.100 0.051 0.000 1.156 236 T CB -1.067 67.919 68.868 0.197 0.000 0.863 236 T HN 0.599 nan 8.240 nan 0.000 0.430 237 A N 2.028 124.845 122.820 -0.006 0.000 1.883 237 A HA -0.194 4.126 4.320 -0.000 0.000 0.217 237 A C 2.197 179.735 177.584 -0.078 0.000 1.186 237 A CA 1.970 53.978 52.037 -0.049 0.000 0.624 237 A CB -0.855 18.097 19.000 -0.079 0.000 0.822 237 A HN 0.369 nan 8.150 nan 0.000 0.444 238 D N -0.437 119.902 120.400 -0.103 0.000 2.117 238 D HA -0.118 4.522 4.640 -0.000 0.000 0.197 238 D C 2.022 178.280 176.300 -0.070 0.000 0.987 238 D CA 1.453 55.391 54.000 -0.103 0.000 0.829 238 D CB -0.355 40.374 40.800 -0.118 0.000 0.961 238 D HN 0.660 nan 8.370 nan 0.000 0.460 239 E N 0.197 120.363 120.200 -0.056 0.000 2.058 239 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 239 E C 2.398 178.970 176.600 -0.046 0.000 0.997 239 E CA 0.533 56.904 56.400 -0.048 0.000 0.801 239 E CB -0.070 29.606 29.700 -0.040 0.000 0.746 239 E HN 0.313 nan 8.360 nan 0.000 0.450 240 I N 1.117 121.661 120.570 -0.043 0.000 2.118 240 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 240 I C 2.438 178.529 176.117 -0.043 0.000 1.070 240 I CA 1.251 62.526 61.300 -0.041 0.000 1.327 240 I CB -0.341 37.635 38.000 -0.040 0.000 1.034 240 I HN 0.130 nan 8.210 nan 0.000 0.405 241 L N 0.004 121.198 121.223 -0.048 0.000 2.046 241 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 241 L C 2.696 179.541 176.870 -0.042 0.000 1.077 241 L CA 1.471 56.284 54.840 -0.045 0.000 0.747 241 L CB -0.655 41.372 42.059 -0.053 0.000 0.896 241 L HN 0.294 nan 8.230 nan 0.000 0.432 242 Q N 0.434 120.207 119.800 -0.045 0.000 2.096 242 Q HA -0.261 4.079 4.340 -0.000 0.000 0.204 242 Q C 2.124 178.101 176.000 -0.038 0.000 0.982 242 Q CA 1.777 57.555 55.803 -0.041 0.000 0.850 242 Q CB -0.151 28.560 28.738 -0.044 0.000 0.901 242 Q HN 0.474 nan 8.270 nan 0.000 0.422 243 Q N -1.597 118.179 119.800 -0.040 0.000 2.369 243 Q HA -0.014 4.326 4.340 -0.000 0.000 0.206 243 Q C 1.309 177.288 176.000 -0.034 0.000 0.963 243 Q CA 1.012 56.792 55.803 -0.039 0.000 0.894 243 Q CB 0.255 28.967 28.738 -0.044 0.000 0.965 243 Q HN 0.425 nan 8.270 nan 0.000 0.475 244 C N 0.543 119.824 119.300 -0.032 0.000 3.038 244 C HA 0.108 4.568 4.460 -0.000 0.000 0.279 244 C C -0.076 174.899 174.990 -0.025 0.000 1.276 244 C CA -0.579 58.423 59.018 -0.028 0.000 1.697 244 C CB -0.261 27.462 27.740 -0.028 0.000 2.032 244 C HN 0.497 nan 8.230 nan 0.000 0.636 245 D N 0.466 120.850 120.400 -0.027 0.000 2.837 245 D HA -0.178 4.462 4.640 -0.000 0.000 0.230 245 D C 1.337 177.624 176.300 -0.023 0.000 1.152 245 D CA 1.455 55.441 54.000 -0.024 0.000 0.736 245 D CB -1.341 39.447 40.800 -0.020 0.000 1.084 245 D HN 0.785 nan 8.370 nan 0.000 0.429 246 G N -0.276 108.509 108.800 -0.026 0.000 2.184 246 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.264 246 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.264 246 G C 0.213 175.101 174.900 -0.020 0.000 0.975 246 G CA 0.874 45.960 45.100 -0.024 0.000 0.642 246 G HN 0.464 nan 8.290 nan 0.000 0.536 247 K N 0.045 120.434 120.400 -0.019 0.000 2.263 247 K HA 0.793 5.113 4.320 -0.000 0.000 0.272 247 K C -0.338 176.251 176.600 -0.018 0.000 1.033 247 K CA -0.476 55.802 56.287 -0.016 0.000 0.884 247 K CB 2.081 34.572 32.500 -0.014 0.000 1.107 247 K HN 0.285 nan 8.250 nan 0.000 0.460 248 L N 1.898 123.110 121.223 -0.018 0.000 2.612 248 L HA 0.299 4.638 4.340 -0.000 0.000 0.256 248 L C -1.048 175.812 176.870 -0.018 0.000 0.949 248 L CA -0.293 54.534 54.840 -0.021 0.000 0.867 248 L CB 2.213 44.257 42.059 -0.025 0.000 1.417 248 L HN 0.685 nan 8.230 nan 0.000 0.414 249 D N 3.687 124.075 120.400 -0.020 0.000 2.498 249 D HA 0.233 4.873 4.640 -0.000 0.000 0.223 249 D C -0.270 176.016 176.300 -0.022 0.000 1.125 249 D CA 0.321 54.311 54.000 -0.017 0.000 0.835 249 D CB 1.761 42.553 40.800 -0.013 0.000 1.086 249 D HN 0.378 nan 8.370 nan 0.000 0.510 250 M N 1.242 120.822 119.600 -0.032 0.000 2.490 250 M HA 0.336 4.816 4.480 -0.000 0.000 0.286 250 M C -2.469 173.796 176.300 -0.058 0.000 1.185 250 M CA -0.741 54.533 55.300 -0.044 0.000 0.912 250 M CB 2.892 35.463 32.600 -0.048 0.000 1.744 250 M HN -0.116 nan 8.290 nan 0.000 0.494 251 L N 4.598 125.778 121.223 -0.072 0.000 2.406 251 L HA 0.780 5.119 4.340 -0.000 0.000 0.272 251 L C -1.951 174.850 176.870 -0.115 0.000 0.980 251 L CA -0.392 54.396 54.840 -0.087 0.000 0.831 251 L CB 2.133 44.142 42.059 -0.082 0.000 1.253 251 L HN 0.512 nan 8.230 nan 0.000 0.406 252 V N 4.612 124.451 119.914 -0.125 0.000 2.409 252 V HA 0.946 5.066 4.120 -0.000 0.000 0.291 252 V C -0.067 175.938 176.094 -0.148 0.000 1.020 252 V CA -0.087 62.120 62.300 -0.155 0.000 0.848 252 V CB 1.221 32.935 31.823 -0.181 0.000 0.990 252 V HN 0.957 nan 8.190 nan 0.000 0.430 253 A N 3.521 126.243 122.820 -0.164 0.000 2.486 253 A HA 0.833 5.153 4.320 -0.000 0.000 0.300 253 A C -0.134 177.365 177.584 -0.141 0.000 1.048 253 A CA -0.488 51.461 52.037 -0.147 0.000 0.696 253 A CB 1.882 20.788 19.000 -0.157 0.000 1.278 253 A HN 0.959 nan 8.150 nan 0.000 0.405 254 S N 0.555 116.192 115.700 -0.106 0.000 2.601 254 S HA 0.657 5.127 4.470 -0.000 0.000 0.271 254 S C -0.127 174.452 174.600 -0.036 0.000 1.305 254 S CA -0.500 57.658 58.200 -0.070 0.000 1.022 254 S CB 1.153 64.309 63.200 -0.074 0.000 0.940 254 S HN 1.055 nan 8.310 nan 0.000 0.525 255 V N 2.170 122.107 119.914 0.039 0.000 2.495 255 V HA 0.720 4.840 4.120 -0.000 0.000 0.298 255 V C 0.932 177.096 176.094 0.117 0.000 1.031 255 V CA -0.110 62.243 62.300 0.089 0.000 0.871 255 V CB 1.125 33.080 31.823 0.221 0.000 0.988 255 V HN 1.135 nan 8.190 nan 0.000 0.432 256 G N 2.248 111.098 108.800 0.083 0.000 2.485 256 G HA2 0.070 4.030 3.960 -0.000 0.000 0.192 256 G HA3 0.070 4.030 3.960 -0.000 0.000 0.192 256 G C 1.233 176.168 174.900 0.058 0.000 1.368 256 G CA 0.942 46.102 45.100 0.100 0.000 0.685 256 G HN 0.682 nan 8.290 nan 0.000 0.608 257 T N -2.518 112.009 114.554 -0.045 0.000 3.044 257 T HA 0.381 4.731 4.350 -0.000 0.000 0.255 257 T C 1.935 176.631 174.700 -0.006 0.000 1.073 257 T CA 1.293 63.321 62.100 -0.120 0.000 1.125 257 T CB 0.287 68.958 68.868 -0.328 0.000 0.908 257 T HN 1.700 nan 8.240 nan 0.000 0.480 258 G N 0.233 109.034 108.800 0.002 0.000 2.176 258 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.232 258 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.232 258 G C 1.152 176.035 174.900 -0.028 0.000 0.986 258 G CA 0.125 45.238 45.100 0.022 0.000 0.643 258 G HN 0.871 nan 8.290 nan 0.000 0.522 259 G N 0.400 109.179 108.800 -0.035 0.000 2.514 259 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.217 259 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.217 259 G C 1.737 176.612 174.900 -0.043 0.000 1.198 259 G CA 2.583 47.693 45.100 0.016 0.000 0.780 259 G HN 0.751 nan 8.290 nan 0.000 0.565 260 T N 0.943 115.314 114.554 -0.304 0.000 2.607 260 T HA -0.168 4.182 4.350 -0.000 0.000 0.267 260 T C 2.296 176.816 174.700 -0.299 0.000 1.049 260 T CA 1.292 63.000 62.100 -0.654 0.000 1.162 260 T CB -0.257 68.260 68.868 -0.584 0.000 0.863 260 T HN 0.226 nan 8.240 nan 0.000 0.424 261 I N 0.581 121.029 120.570 -0.203 0.000 2.394 261 I HA -0.192 3.978 4.170 -0.000 0.000 0.251 261 I C 2.266 178.304 176.117 -0.131 0.000 1.136 261 I CA 1.211 62.411 61.300 -0.167 0.000 1.425 261 I CB -0.154 37.733 38.000 -0.188 0.000 1.079 261 I HN 0.272 nan 8.210 nan 0.000 0.425 262 T N 0.135 114.624 114.554 -0.108 0.000 2.812 262 T HA -0.043 4.307 4.350 -0.000 0.000 0.264 262 T C 1.692 176.319 174.700 -0.121 0.000 1.042 262 T CA 1.187 63.217 62.100 -0.116 0.000 1.140 262 T CB -0.675 68.133 68.868 -0.101 0.000 0.870 262 T HN 0.574 nan 8.240 nan 0.000 0.445 263 G N 1.578 110.348 108.800 -0.049 0.000 2.453 263 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.215 263 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.215 263 G C 1.520 176.472 174.900 0.087 0.000 1.201 263 G CA 0.570 45.701 45.100 0.052 0.000 0.784 263 G HN 0.484 nan 8.290 nan 0.000 0.545 264 I N 1.477 122.060 120.570 0.021 0.000 2.226 264 I HA -0.140 4.030 4.170 -0.000 0.000 0.245 264 I C 3.290 179.400 176.117 -0.013 0.000 1.100 264 I CA 0.914 62.212 61.300 -0.002 0.000 1.374 264 I CB -0.248 37.721 38.000 -0.051 0.000 1.057 264 I HN 0.242 nan 8.210 nan 0.000 0.413 265 A N 0.900 123.691 122.820 -0.048 0.000 1.902 265 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 265 A C 2.421 179.998 177.584 -0.013 0.000 1.181 265 A CA 1.483 53.492 52.037 -0.046 0.000 0.623 265 A CB -0.565 18.386 19.000 -0.082 0.000 0.818 265 A HN 0.303 nan 8.150 nan 0.000 0.443 266 R N -0.980 119.474 120.500 -0.077 0.000 2.115 266 R HA -0.114 4.226 4.340 -0.000 0.000 0.230 266 R C 2.167 178.605 176.300 0.230 0.000 1.111 266 R CA 1.540 57.565 56.100 -0.125 0.000 0.976 266 R CB -0.110 29.795 30.300 -0.660 0.000 0.870 266 R HN 0.419 nan 8.270 nan 0.000 0.445 267 K N 0.411 120.961 120.400 0.251 0.000 2.243 267 K HA -0.037 4.283 4.320 -0.000 0.000 0.201 267 K C 1.601 178.224 176.600 0.038 0.000 1.051 267 K CA 0.872 57.212 56.287 0.089 0.000 0.970 267 K CB -0.017 32.353 32.500 -0.216 0.000 0.755 267 K HN -0.031 nan 8.250 nan 0.000 0.465 268 L N 1.206 122.452 121.223 0.040 0.000 2.095 268 L HA 0.067 4.407 4.340 -0.000 0.000 0.204 268 L C 1.815 178.719 176.870 0.056 0.000 1.080 268 L CA 1.649 56.503 54.840 0.022 0.000 0.759 268 L CB -0.503 41.556 42.059 -0.000 0.000 0.914 268 L HN 0.100 nan 8.230 nan 0.000 0.439 269 K N -0.444 120.014 120.400 0.098 0.000 2.280 269 K HA -0.165 4.155 4.320 -0.000 0.000 0.202 269 K C 1.783 178.465 176.600 0.137 0.000 1.047 269 K CA 1.082 57.443 56.287 0.123 0.000 0.942 269 K CB 0.057 32.666 32.500 0.181 0.000 0.739 269 K HN 0.495 nan 8.250 nan 0.000 0.457 270 E N 0.304 120.605 120.200 0.168 0.000 2.060 270 E HA -0.079 4.271 4.350 -0.000 0.000 0.189 270 E C 1.883 178.526 176.600 0.072 0.000 0.974 270 E CA 0.684 57.173 56.400 0.148 0.000 0.808 270 E CB 0.228 30.059 29.700 0.218 0.000 0.768 270 E HN 0.099 nan 8.360 nan 0.000 0.453 271 K N 0.283 120.709 120.400 0.044 0.000 2.099 271 K HA 0.049 4.369 4.320 -0.000 0.000 0.203 271 K C 1.149 177.754 176.600 0.009 0.000 1.047 271 K CA 0.328 56.621 56.287 0.011 0.000 0.963 271 K CB -0.242 32.247 32.500 -0.019 0.000 0.759 271 K HN 0.087 nan 8.250 nan 0.000 0.451 272 C N 5.178 124.485 119.300 0.012 0.000 2.288 272 C HA 0.343 4.803 4.460 -0.000 0.000 0.328 272 C C -1.249 173.752 174.990 0.017 0.000 1.071 272 C CA -2.248 56.775 59.018 0.007 0.000 1.594 272 C CB -0.041 27.697 27.740 -0.004 0.000 1.700 272 C HN 0.230 nan 8.230 nan 0.000 0.436 273 P HA -0.092 nan 4.420 nan 0.000 0.215 273 P C 1.489 178.801 177.300 0.019 0.000 1.157 273 P CA 2.157 65.272 63.100 0.025 0.000 0.874 273 P CB -0.057 31.655 31.700 0.020 0.000 0.790 274 G N -0.822 107.985 108.800 0.011 0.000 2.807 274 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.207 274 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.207 274 G C 0.374 175.276 174.900 0.003 0.000 1.151 274 G CA -0.193 44.911 45.100 0.007 0.000 0.800 274 G HN 0.305 nan 8.290 nan 0.000 0.523 275 C N 1.439 120.741 119.300 0.003 0.000 2.482 275 C HA 0.394 4.854 4.460 -0.000 0.000 0.378 275 C C 0.923 175.909 174.990 -0.007 0.000 1.284 275 C CA -0.969 58.045 59.018 -0.005 0.000 1.826 275 C CB -0.324 27.411 27.740 -0.008 0.000 2.473 275 C HN 0.365 nan 8.230 nan 0.000 0.562 276 R N 3.518 124.009 120.500 -0.014 0.000 2.308 276 R HA 0.456 4.795 4.340 -0.000 0.000 0.305 276 R C -0.425 175.850 176.300 -0.041 0.000 1.053 276 R CA -0.417 55.673 56.100 -0.018 0.000 0.957 276 R CB 0.697 30.991 30.300 -0.009 0.000 1.022 276 R HN 0.550 nan 8.270 nan 0.000 0.461 277 I N 5.196 125.734 120.570 -0.055 0.000 2.336 277 I HA 0.307 4.477 4.170 -0.000 0.000 0.292 277 I C 0.104 176.136 176.117 -0.141 0.000 0.991 277 I CA -0.631 60.608 61.300 -0.102 0.000 1.227 277 I CB 1.283 39.217 38.000 -0.110 0.000 1.366 277 I HN 0.397 nan 8.210 nan 0.000 0.466 278 I N 5.209 125.680 120.570 -0.166 0.000 2.436 278 I HA 0.457 4.627 4.170 -0.000 0.000 0.289 278 I C 0.564 176.506 176.117 -0.292 0.000 1.010 278 I CA -0.421 60.778 61.300 -0.169 0.000 1.098 278 I CB 1.540 39.485 38.000 -0.091 0.000 1.266 278 I HN 0.555 nan 8.210 nan 0.000 0.434 279 G N 5.331 113.836 108.800 -0.491 0.000 2.379 279 G HA2 0.568 4.527 3.960 -0.000 0.000 0.327 279 G HA3 0.568 4.527 3.960 -0.000 0.000 0.327 279 G C -0.935 173.861 174.900 -0.174 0.000 1.145 279 G CA -0.348 44.351 45.100 -0.667 0.000 0.905 279 G HN 0.310 nan 8.290 nan 0.000 0.466 280 V N 2.607 122.493 119.914 -0.046 0.000 2.347 280 V HA 0.332 4.452 4.120 -0.000 0.000 0.280 280 V C -0.810 175.390 176.094 0.178 0.000 1.021 280 V CA -0.541 61.808 62.300 0.083 0.000 0.847 280 V CB 1.430 33.220 31.823 -0.056 0.000 0.990 280 V HN 0.780 nan 8.190 nan 0.000 0.444 281 D N 6.887 127.436 120.400 0.249 0.000 2.505 281 D HA 0.515 5.155 4.640 -0.000 0.000 0.249 281 D C -2.684 173.613 176.300 -0.005 0.000 1.082 281 D CA -1.783 52.315 54.000 0.163 0.000 0.839 281 D CB 3.057 43.970 40.800 0.189 0.000 1.317 281 D HN 0.260 nan 8.370 nan 0.000 0.497 282 P HA 0.149 nan 4.420 nan 0.000 0.279 282 P C -0.647 176.537 177.300 -0.193 0.000 1.239 282 P CA -0.352 62.564 63.100 -0.307 0.000 0.789 282 P CB 0.819 32.069 31.700 -0.750 0.000 0.933 283 E N 1.206 121.343 120.200 -0.107 0.000 2.480 283 E HA 0.241 4.591 4.350 -0.000 0.000 0.258 283 E C 1.120 177.802 176.600 0.137 0.000 0.984 283 E CA 0.911 57.316 56.400 0.009 0.000 0.930 283 E CB -0.326 29.390 29.700 0.027 0.000 0.936 283 E HN 0.832 nan 8.360 nan 0.000 0.466 284 G N 2.268 111.154 108.800 0.144 0.000 2.192 284 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.193 284 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.193 284 G C 0.168 175.203 174.900 0.225 0.000 0.999 284 G CA 0.059 45.287 45.100 0.215 0.000 0.659 284 G HN 0.535 nan 8.290 nan 0.000 0.503 285 S N -0.600 115.196 115.700 0.160 0.000 2.607 285 S HA 0.757 5.227 4.470 -0.000 0.000 0.303 285 S C 1.236 175.835 174.600 -0.001 0.000 1.086 285 S CA -0.209 58.060 58.200 0.114 0.000 0.995 285 S CB 1.239 64.515 63.200 0.126 0.000 1.084 285 S HN 1.037 nan 8.310 nan 0.000 0.507 286 I N 1.444 121.995 120.570 -0.031 0.000 4.082 286 I HA 0.297 4.467 4.170 -0.000 0.000 0.337 286 I C 1.059 177.081 176.117 -0.158 0.000 1.352 286 I CA -0.037 61.207 61.300 -0.094 0.000 1.097 286 I CB -0.077 37.868 38.000 -0.091 0.000 1.048 286 I HN 0.470 nan 8.210 nan 0.000 0.393 287 L N 2.159 123.291 121.223 -0.151 0.000 1.989 287 L HA -0.023 4.317 4.340 -0.000 0.000 0.211 287 L C 2.039 178.378 176.870 -0.885 0.000 1.071 287 L CA 1.073 55.734 54.840 -0.298 0.000 0.749 287 L CB -0.785 41.221 42.059 -0.088 0.000 0.890 287 L HN 0.420 nan 8.230 nan 0.000 0.431 288 A N 0.582 122.802 122.820 -1.000 0.000 2.492 288 A HA 0.135 4.455 4.320 -0.000 0.000 0.236 288 A C 0.069 177.002 177.584 -1.086 0.000 1.078 288 A CA 0.325 51.430 52.037 -1.553 0.000 0.773 288 A CB 0.078 18.756 19.000 -0.537 0.000 1.023 288 A HN 0.398 nan 8.150 nan 0.000 0.504 289 E N 0.824 120.344 120.200 -1.133 0.000 2.340 289 E HA 0.441 4.791 4.350 -0.000 0.000 0.273 289 E C -2.703 173.795 176.600 -0.170 0.000 0.891 289 E CA -1.830 54.307 56.400 -0.438 0.000 0.757 289 E CB 1.669 31.223 29.700 -0.243 0.000 1.231 289 E HN 0.454 nan 8.360 nan 0.000 0.439 290 P HA 0.021 nan 4.420 nan 0.000 0.286 290 P C 0.688 177.913 177.300 -0.124 0.000 1.293 290 P CA -0.357 62.686 63.100 -0.094 0.000 0.770 290 P CB 0.678 32.347 31.700 -0.051 0.000 1.206 291 E N 0.395 120.539 120.200 -0.095 0.000 2.049 291 E HA -0.238 4.112 4.350 -0.000 0.000 0.198 291 E C 1.664 178.216 176.600 -0.081 0.000 1.007 291 E CA 1.751 58.098 56.400 -0.090 0.000 0.809 291 E CB -0.563 29.100 29.700 -0.062 0.000 0.749 291 E HN 0.456 nan 8.360 nan 0.000 0.450 292 E N 1.002 121.164 120.200 -0.064 0.000 2.136 292 E HA -0.217 4.133 4.350 -0.000 0.000 0.208 292 E C 2.094 178.658 176.600 -0.060 0.000 1.035 292 E CA 0.914 57.282 56.400 -0.053 0.000 0.838 292 E CB -0.392 29.281 29.700 -0.046 0.000 0.748 292 E HN 0.144 nan 8.360 nan 0.000 0.459 293 L N 0.879 122.056 121.223 -0.077 0.000 2.137 293 L HA -0.206 4.134 4.340 -0.000 0.000 0.213 293 L C 1.075 177.903 176.870 -0.071 0.000 1.085 293 L CA 1.629 56.422 54.840 -0.079 0.000 0.760 293 L CB -1.049 40.946 42.059 -0.107 0.000 0.893 293 L HN 0.271 nan 8.230 nan 0.000 0.434 294 N N 0.195 118.846 118.700 -0.082 0.000 2.276 294 N HA 0.019 4.759 4.740 -0.000 0.000 0.212 294 N C 0.142 175.625 175.510 -0.045 0.000 1.127 294 N CA 0.064 53.073 53.050 -0.068 0.000 0.834 294 N CB 0.239 38.671 38.487 -0.092 0.000 1.014 294 N HN 0.508 nan 8.380 nan 0.000 0.491 295 Q N 0.913 120.691 119.800 -0.037 0.000 2.381 295 Q HA 0.227 4.567 4.340 -0.000 0.000 0.243 295 Q C -0.377 175.615 176.000 -0.015 0.000 1.154 295 Q CA 0.451 56.239 55.803 -0.027 0.000 0.899 295 Q CB 0.335 29.059 28.738 -0.025 0.000 1.396 295 Q HN 0.034 nan 8.270 nan 0.000 0.485 296 T N 0.269 114.816 114.554 -0.012 0.000 2.722 296 T HA 0.099 4.449 4.350 -0.000 0.000 0.314 296 T C 0.138 174.836 174.700 -0.003 0.000 1.675 296 T CA -0.756 61.344 62.100 -0.001 0.000 1.003 296 T CB 1.376 70.252 68.868 0.013 0.000 1.602 296 T HN 0.367 nan 8.240 nan 0.000 0.496 297 E N 0.118 120.319 120.200 0.002 0.000 2.415 297 E HA 0.068 4.418 4.350 -0.000 0.000 0.197 297 E C 0.111 176.713 176.600 0.004 0.000 1.007 297 E CA 0.202 56.600 56.400 -0.004 0.000 0.890 297 E CB 0.392 30.090 29.700 -0.005 0.000 0.891 297 E HN 0.414 nan 8.360 nan 0.000 0.496 298 Q N 0.505 120.319 119.800 0.023 0.000 2.262 298 Q HA -0.029 4.311 4.340 -0.000 0.000 0.298 298 Q C 0.618 176.638 176.000 0.035 0.000 1.083 298 Q CA 0.689 56.519 55.803 0.045 0.000 0.962 298 Q CB 0.993 29.785 28.738 0.089 0.000 1.104 298 Q HN -0.048 nan 8.270 nan 0.000 0.376 299 T N 0.600 115.155 114.554 0.001 0.000 2.958 299 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 299 T C 0.089 174.716 174.700 -0.123 0.000 0.983 299 T CA 0.570 62.644 62.100 -0.043 0.000 0.924 299 T CB 0.602 69.431 68.868 -0.065 0.000 1.136 299 T HN 0.740 nan 8.240 nan 0.000 0.506 300 T N 0.838 115.329 114.554 -0.105 0.000 2.887 300 T HA 0.760 5.110 4.350 -0.000 0.000 0.288 300 T C -1.162 173.491 174.700 -0.079 0.000 1.021 300 T CA -0.770 61.196 62.100 -0.223 0.000 1.000 300 T CB 1.815 70.616 68.868 -0.111 0.000 1.034 300 T HN 0.256 nan 8.240 nan 0.000 0.467 301 Y N -0.883 119.490 120.300 0.122 0.000 2.638 301 Y HA 0.675 5.225 4.550 -0.000 0.000 0.335 301 Y C 0.432 176.475 175.900 0.238 0.000 1.155 301 Y CA -1.468 56.731 58.100 0.166 0.000 1.046 301 Y CB 0.753 39.275 38.460 0.104 0.000 1.303 301 Y HN 0.448 nan 8.280 nan 0.000 0.460 302 E N 0.660 121.210 120.200 0.584 0.000 2.318 302 E HA 0.073 4.422 4.350 -0.000 0.000 0.193 302 E C 0.397 177.388 176.600 0.652 0.000 0.998 302 E CA 0.593 57.397 56.400 0.674 0.000 0.859 302 E CB 0.265 30.576 29.700 1.018 0.000 0.812 302 E HN 0.528 nan 8.360 nan 0.000 0.492 303 V N 1.197 121.364 119.914 0.423 0.000 2.529 303 V HA 0.101 4.221 4.120 -0.000 0.000 0.292 303 V C 0.277 176.563 176.094 0.320 0.000 1.028 303 V CA -0.384 62.028 62.300 0.185 0.000 1.074 303 V CB 0.197 31.894 31.823 -0.209 0.000 0.958 303 V HN -0.062 nan 8.190 nan 0.000 0.481 304 E N 3.301 123.695 120.200 0.323 0.000 2.277 304 E HA 0.603 4.953 4.350 -0.000 0.000 0.274 304 E C 1.110 177.870 176.600 0.267 0.000 1.022 304 E CA -0.179 56.428 56.400 0.345 0.000 0.853 304 E CB 1.432 31.379 29.700 0.412 0.000 1.086 304 E HN 1.172 nan 8.360 nan 0.000 0.397 305 G N 1.701 110.657 108.800 0.260 0.000 2.225 305 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.254 305 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.254 305 G C 0.255 175.259 174.900 0.173 0.000 0.988 305 G CA 0.471 45.692 45.100 0.202 0.000 0.625 305 G HN 0.569 nan 8.290 nan 0.000 0.527 306 I N -2.585 118.092 120.570 0.178 0.000 2.846 306 I HA 0.843 5.013 4.170 -0.000 0.000 0.307 306 I C 0.704 176.942 176.117 0.202 0.000 1.053 306 I CA -0.741 60.638 61.300 0.131 0.000 1.050 306 I CB 2.058 40.065 38.000 0.011 0.000 1.239 306 I HN 1.675 nan 8.210 nan 0.000 0.439 307 G N 1.531 110.453 108.800 0.204 0.000 2.781 307 G HA2 0.017 3.977 3.960 -0.000 0.000 0.683 307 G HA3 0.017 3.977 3.960 -0.000 0.000 0.683 307 G C -1.592 173.588 174.900 0.467 0.000 1.390 307 G CA -0.203 45.065 45.100 0.280 0.000 0.850 307 G HN 1.316 nan 8.290 nan 0.000 0.557 308 Y N -0.518 119.898 120.300 0.195 0.000 2.717 308 Y HA 0.410 4.960 4.550 -0.000 0.000 0.345 308 Y C -0.029 175.888 175.900 0.029 0.000 1.187 308 Y CA -0.087 58.102 58.100 0.148 0.000 1.128 308 Y CB 0.922 39.497 38.460 0.191 0.000 1.360 308 Y HN 0.772 nan 8.280 nan 0.000 0.467 309 D N 1.003 121.181 120.400 -0.369 0.000 2.342 309 D HA 0.265 4.905 4.640 -0.000 0.000 0.221 309 D C -0.693 175.143 176.300 -0.773 0.000 1.101 309 D CA 0.465 54.149 54.000 -0.527 0.000 0.837 309 D CB 0.035 40.432 40.800 -0.672 0.000 0.938 309 D HN 0.137 nan 8.370 nan 0.000 0.508 310 F N -0.094 119.831 119.950 -0.041 0.000 2.619 310 F HA 0.406 4.933 4.527 -0.000 0.000 0.308 310 F C -0.288 175.676 175.800 0.273 0.000 1.097 310 F CA -1.446 56.610 58.000 0.094 0.000 0.953 310 F CB 1.863 40.900 39.000 0.062 0.000 1.287 310 F HN -0.295 nan 8.300 nan 0.000 0.446 311 I N 4.249 125.033 120.570 0.356 0.000 2.308 311 I HA 0.210 4.380 4.170 -0.000 0.000 0.293 311 I C -2.287 173.968 176.117 0.230 0.000 1.078 311 I CA -1.709 59.736 61.300 0.241 0.000 1.292 311 I CB 0.376 38.461 38.000 0.141 0.000 1.423 311 I HN 0.148 nan 8.210 nan 0.000 0.493 312 P HA -0.073 nan 4.420 nan 0.000 0.266 312 P C 1.033 178.412 177.300 0.131 0.000 1.193 312 P CA 0.211 63.427 63.100 0.194 0.000 0.770 312 P CB 0.644 32.477 31.700 0.222 0.000 0.836 313 T N 0.003 114.616 114.554 0.099 0.000 2.995 313 T HA -0.075 4.275 4.350 -0.000 0.000 0.269 313 T C 1.317 176.045 174.700 0.047 0.000 1.091 313 T CA 1.444 63.579 62.100 0.058 0.000 1.128 313 T CB -0.773 68.111 68.868 0.027 0.000 0.891 313 T HN 0.186 nan 8.240 nan 0.000 0.492 314 V N -0.185 119.758 119.914 0.048 0.000 3.217 314 V HA 0.353 4.473 4.120 -0.000 0.000 0.264 314 V C 1.016 177.114 176.094 0.006 0.000 1.135 314 V CA 0.022 62.327 62.300 0.009 0.000 1.142 314 V CB -1.237 30.580 31.823 -0.011 0.000 0.754 314 V HN 0.449 nan 8.190 nan 0.000 0.484 315 L N 2.317 123.568 121.223 0.046 0.000 2.290 315 L HA 0.597 4.937 4.340 -0.000 0.000 0.284 315 L C -0.488 176.422 176.870 0.065 0.000 1.078 315 L CA 0.093 54.971 54.840 0.063 0.000 0.815 315 L CB 0.863 42.995 42.059 0.122 0.000 1.162 315 L HN 0.241 nan 8.230 nan 0.000 0.435 316 D N 3.933 124.358 120.400 0.042 0.000 2.479 316 D HA 0.243 4.883 4.640 -0.000 0.000 0.247 316 D C 0.820 177.182 176.300 0.103 0.000 1.119 316 D CA -0.311 53.720 54.000 0.052 0.000 0.922 316 D CB 0.609 41.393 40.800 -0.026 0.000 1.014 316 D HN 0.622 nan 8.370 nan 0.000 0.510 317 R N 0.947 121.551 120.500 0.173 0.000 2.341 317 R HA -0.044 4.296 4.340 -0.000 0.000 0.213 317 R C 1.609 178.042 176.300 0.221 0.000 1.082 317 R CA 0.853 57.122 56.100 0.282 0.000 1.017 317 R CB 0.058 30.540 30.300 0.302 0.000 0.860 317 R HN 0.281 nan 8.270 nan 0.000 0.473 318 T N 0.235 114.884 114.554 0.158 0.000 2.915 318 T HA -0.068 4.282 4.350 -0.000 0.000 0.269 318 T C 1.692 176.474 174.700 0.137 0.000 1.071 318 T CA 1.420 63.611 62.100 0.151 0.000 1.132 318 T CB 0.085 69.054 68.868 0.168 0.000 0.878 318 T HN 0.259 nan 8.240 nan 0.000 0.479 319 V N -0.987 118.988 119.914 0.102 0.000 3.649 319 V HA 0.333 4.453 4.120 -0.000 0.000 0.275 319 V C 0.665 176.757 176.094 -0.002 0.000 1.281 319 V CA -0.295 62.045 62.300 0.067 0.000 1.143 319 V CB -0.533 31.302 31.823 0.020 0.000 0.892 319 V HN 0.073 nan 8.190 nan 0.000 0.441 320 V N 2.466 122.369 119.914 -0.019 0.000 2.389 320 V HA 0.266 4.386 4.120 -0.000 0.000 0.264 320 V C 1.038 177.079 176.094 -0.088 0.000 1.049 320 V CA -0.057 62.141 62.300 -0.169 0.000 0.932 320 V CB 0.823 32.401 31.823 -0.409 0.000 1.011 320 V HN 0.387 nan 8.190 nan 0.000 0.475 321 D N 3.336 123.682 120.400 -0.090 0.000 2.219 321 D HA -0.006 4.634 4.640 -0.000 0.000 0.205 321 D C 0.811 177.108 176.300 -0.006 0.000 0.970 321 D CA 1.177 55.163 54.000 -0.022 0.000 0.851 321 D CB 0.515 41.307 40.800 -0.013 0.000 0.943 321 D HN 0.578 nan 8.370 nan 0.000 0.488 322 K N -0.792 119.566 120.400 -0.071 0.000 2.598 322 K HA 0.212 4.532 4.320 -0.000 0.000 0.271 322 K C -2.017 174.552 176.600 -0.053 0.000 0.947 322 K CA -0.637 55.653 56.287 0.005 0.000 0.854 322 K CB 1.059 33.577 32.500 0.029 0.000 1.401 322 K HN -0.224 nan 8.250 nan 0.000 0.415 323 W N 2.522 123.784 121.300 -0.062 0.000 2.655 323 W HA 0.654 5.314 4.660 -0.000 0.000 0.358 323 W C -0.722 175.694 176.519 -0.170 0.000 1.100 323 W CA -0.402 56.934 57.345 -0.015 0.000 1.195 323 W CB 1.082 30.522 29.460 -0.034 0.000 1.403 323 W HN 0.293 nan 8.180 nan 0.000 0.589 324 F N 1.626 121.701 119.950 0.209 0.000 2.591 324 F HA 0.396 4.923 4.527 -0.000 0.000 0.309 324 F C 0.073 175.913 175.800 0.067 0.000 1.098 324 F CA -1.362 56.684 58.000 0.077 0.000 0.937 324 F CB 1.580 40.571 39.000 -0.014 0.000 1.250 324 F HN -0.106 nan 8.300 nan 0.000 0.447 325 K N 1.390 121.896 120.400 0.177 0.000 2.095 325 K HA 0.763 5.083 4.320 -0.000 0.000 0.252 325 K C -0.356 176.264 176.600 0.033 0.000 0.977 325 K CA -0.448 55.886 56.287 0.077 0.000 0.900 325 K CB 1.900 34.415 32.500 0.025 0.000 1.060 325 K HN 0.757 nan 8.250 nan 0.000 0.449 326 S N -0.091 115.581 115.700 -0.047 0.000 2.697 326 S HA 0.634 5.104 4.470 -0.000 0.000 0.289 326 S C -0.798 173.723 174.600 -0.130 0.000 1.149 326 S CA -0.947 57.188 58.200 -0.108 0.000 0.850 326 S CB 1.458 64.549 63.200 -0.181 0.000 1.151 326 S HN 0.678 nan 8.310 nan 0.000 0.491 327 N N -0.725 117.889 118.700 -0.143 0.000 2.405 327 N HA 0.492 5.232 4.740 -0.000 0.000 0.285 327 N C -0.447 174.931 175.510 -0.220 0.000 1.262 327 N CA -0.846 52.135 53.050 -0.115 0.000 0.773 327 N CB 0.480 38.958 38.487 -0.015 0.000 1.490 327 N HN 0.350 nan 8.380 nan 0.000 0.486 328 D N 0.101 120.389 120.400 -0.187 0.000 2.106 328 D HA -0.225 4.415 4.640 -0.000 0.000 0.191 328 D C 1.275 177.200 176.300 -0.625 0.000 0.997 328 D CA 1.598 55.307 54.000 -0.484 0.000 0.834 328 D CB -0.169 40.567 40.800 -0.106 0.000 0.956 328 D HN 0.849 nan 8.370 nan 0.000 0.448 329 E N 0.539 120.605 120.200 -0.224 0.000 2.070 329 E HA -0.252 4.098 4.350 -0.000 0.000 0.197 329 E C 1.991 178.567 176.600 -0.039 0.000 1.004 329 E CA 1.465 57.839 56.400 -0.044 0.000 0.805 329 E CB -0.011 29.829 29.700 0.233 0.000 0.744 329 E HN 0.301 nan 8.360 nan 0.000 0.451 330 E N -0.363 119.810 120.200 -0.046 0.000 2.051 330 E HA -0.246 4.104 4.350 -0.000 0.000 0.192 330 E C 1.948 178.520 176.600 -0.046 0.000 0.991 330 E CA 1.065 57.474 56.400 0.015 0.000 0.799 330 E CB -0.203 29.458 29.700 -0.065 0.000 0.748 330 E HN 0.369 nan 8.360 nan 0.000 0.449 331 A N 0.595 123.232 122.820 -0.306 0.000 1.851 331 A HA -0.193 4.127 4.320 -0.000 0.000 0.216 331 A C 2.020 179.360 177.584 -0.405 0.000 1.195 331 A CA 1.675 53.437 52.037 -0.459 0.000 0.622 331 A CB -1.194 17.349 19.000 -0.761 0.000 0.831 331 A HN 0.412 nan 8.150 nan 0.000 0.444 332 F N 0.808 120.566 119.950 -0.320 0.000 2.234 332 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 332 F C 2.923 178.610 175.800 -0.188 0.000 1.087 332 F CA 1.300 59.068 58.000 -0.387 0.000 1.340 332 F CB -0.510 38.314 39.000 -0.294 0.000 1.031 332 F HN 0.404 nan 8.300 nan 0.000 0.500 333 T N -2.162 112.453 114.554 0.101 0.000 2.857 333 T HA -0.179 4.171 4.350 -0.000 0.000 0.266 333 T C 1.649 176.341 174.700 -0.014 0.000 1.048 333 T CA 0.981 63.126 62.100 0.076 0.000 1.139 333 T CB -0.857 68.064 68.868 0.088 0.000 0.874 333 T HN 0.120 nan 8.240 nan 0.000 0.455 334 F N 2.010 121.904 119.950 -0.093 0.000 2.293 334 F HA 0.387 4.914 4.527 -0.000 0.000 0.297 334 F C 2.864 178.586 175.800 -0.131 0.000 1.089 334 F CA 0.330 58.266 58.000 -0.107 0.000 1.377 334 F CB -0.721 38.179 39.000 -0.165 0.000 1.051 334 F HN 0.244 nan 8.300 nan 0.000 0.511 335 A N 0.125 122.907 122.820 -0.064 0.000 1.902 335 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 335 A C 2.264 179.829 177.584 -0.033 0.000 1.181 335 A CA 1.621 53.535 52.037 -0.204 0.000 0.623 335 A CB -0.627 17.926 19.000 -0.744 0.000 0.818 335 A HN 0.287 nan 8.150 nan 0.000 0.443 336 R N -1.613 118.904 120.500 0.028 0.000 2.115 336 R HA 0.016 4.356 4.340 -0.000 0.000 0.230 336 R C 2.206 178.528 176.300 0.037 0.000 1.111 336 R CA 1.465 57.634 56.100 0.114 0.000 0.976 336 R CB -0.276 30.105 30.300 0.136 0.000 0.870 336 R HN 0.645 nan 8.270 nan 0.000 0.445 337 M N 0.122 119.705 119.600 -0.028 0.000 2.254 337 M HA -0.089 4.391 4.480 -0.000 0.000 0.265 337 M C 1.601 177.893 176.300 -0.013 0.000 1.066 337 M CA 1.401 56.664 55.300 -0.062 0.000 1.123 337 M CB 0.227 32.705 32.600 -0.204 0.000 1.388 337 M HN 0.142 nan 8.290 nan 0.000 0.425 338 L N -0.386 120.842 121.223 0.007 0.000 2.156 338 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 338 L C 2.114 178.998 176.870 0.023 0.000 1.095 338 L CA 0.914 55.769 54.840 0.024 0.000 0.770 338 L CB -0.376 41.694 42.059 0.018 0.000 0.914 338 L HN 0.328 nan 8.230 nan 0.000 0.439 339 I N -0.502 120.083 120.570 0.024 0.000 2.286 339 I HA -0.188 3.982 4.170 -0.000 0.000 0.245 339 I C 2.673 178.805 176.117 0.025 0.000 1.104 339 I CA 1.059 62.373 61.300 0.023 0.000 1.397 339 I CB -0.358 37.669 38.000 0.045 0.000 1.072 339 I HN 0.152 nan 8.210 nan 0.000 0.417 340 A N -0.127 122.708 122.820 0.025 0.000 1.930 340 A HA -0.124 4.196 4.320 -0.000 0.000 0.215 340 A C 2.199 179.794 177.584 0.018 0.000 1.176 340 A CA 1.156 53.205 52.037 0.019 0.000 0.632 340 A CB -0.229 18.780 19.000 0.015 0.000 0.819 340 A HN 0.434 nan 8.150 nan 0.000 0.445 341 Q N -1.433 118.378 119.800 0.019 0.000 2.394 341 Q HA 0.053 4.392 4.340 -0.000 0.000 0.218 341 Q C 0.944 176.965 176.000 0.036 0.000 0.907 341 Q CA 0.618 56.435 55.803 0.023 0.000 0.919 341 Q CB 0.390 29.140 28.738 0.019 0.000 1.051 341 Q HN 0.512 nan 8.270 nan 0.000 0.538 342 E N -0.648 119.579 120.200 0.045 0.000 2.511 342 E HA 0.125 4.475 4.350 -0.000 0.000 0.209 342 E C 0.669 177.314 176.600 0.074 0.000 0.986 342 E CA 0.532 56.969 56.400 0.062 0.000 0.974 342 E CB 1.239 30.983 29.700 0.074 0.000 1.030 342 E HN 0.391 nan 8.360 nan 0.000 0.490 343 G N 2.179 111.014 108.800 0.059 0.000 2.198 343 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.260 343 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.260 343 G C 0.084 175.034 174.900 0.083 0.000 1.025 343 G CA 0.375 45.513 45.100 0.063 0.000 0.769 343 G HN 0.199 nan 8.290 nan 0.000 0.507 344 L N 0.192 121.453 121.223 0.063 0.000 2.264 344 L HA 0.452 4.792 4.340 -0.000 0.000 0.287 344 L C 1.066 177.809 176.870 -0.212 0.000 1.039 344 L CA -0.804 54.059 54.840 0.039 0.000 0.829 344 L CB 1.264 43.401 42.059 0.131 0.000 1.211 344 L HN 0.031 nan 8.230 nan 0.000 0.427 345 L N 4.242 125.265 121.223 -0.333 0.000 2.416 345 L HA 0.117 4.457 4.340 -0.000 0.000 0.243 345 L C 0.640 177.096 176.870 -0.690 0.000 1.373 345 L CA -0.459 54.164 54.840 -0.362 0.000 1.227 345 L CB -0.814 41.117 42.059 -0.214 0.000 1.428 345 L HN 0.755 nan 8.230 nan 0.000 0.425 346 C N -1.599 117.309 119.300 -0.652 0.000 2.352 346 C HA 0.920 5.380 4.460 -0.000 0.000 0.387 346 C C 1.114 176.060 174.990 -0.073 0.000 1.294 346 C CA -0.528 58.145 59.018 -0.575 0.000 2.137 346 C CB 0.519 27.999 27.740 -0.433 0.000 2.146 346 C HN 0.539 nan 8.230 nan 0.000 0.559 347 G N -0.554 108.254 108.800 0.013 0.000 2.642 347 G HA2 0.501 4.461 3.960 -0.000 0.000 0.291 347 G HA3 0.501 4.461 3.960 -0.000 0.000 0.291 347 G C 0.897 175.581 174.900 -0.359 0.000 1.345 347 G CA -0.038 45.090 45.100 0.047 0.000 1.043 347 G HN 1.327 nan 8.290 nan 0.000 0.528 348 G N -0.570 107.808 108.800 -0.704 0.000 2.440 348 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 348 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 348 G C 2.044 176.697 174.900 -0.412 0.000 1.154 348 G CA 1.807 46.523 45.100 -0.640 0.000 0.767 348 G HN 0.692 nan 8.290 nan 0.000 0.552 349 S N 0.789 116.347 115.700 -0.238 0.000 2.370 349 S HA -0.062 4.408 4.470 -0.000 0.000 0.226 349 S C 2.737 177.239 174.600 -0.163 0.000 1.033 349 S CA 1.745 59.851 58.200 -0.156 0.000 1.011 349 S CB -0.499 62.679 63.200 -0.037 0.000 0.852 349 S HN 0.599 nan 8.310 nan 0.000 0.457 350 A N 0.749 123.488 122.820 -0.135 0.000 1.940 350 A HA 0.060 4.380 4.320 -0.000 0.000 0.219 350 A C 2.337 179.834 177.584 -0.145 0.000 1.176 350 A CA 1.931 53.908 52.037 -0.100 0.000 0.631 350 A CB -1.635 17.329 19.000 -0.060 0.000 0.814 350 A HN 0.638 nan 8.150 nan 0.000 0.446 351 G N -0.795 107.877 108.800 -0.214 0.000 2.421 351 G HA2 -0.145 3.815 3.960 -0.000 0.000 0.216 351 G HA3 -0.145 3.815 3.960 -0.000 0.000 0.216 351 G C 1.822 176.561 174.900 -0.268 0.000 1.171 351 G CA 1.260 46.251 45.100 -0.183 0.000 0.775 351 G HN 0.487 nan 8.290 nan 0.000 0.543 352 S N 0.507 116.018 115.700 -0.315 0.000 2.374 352 S HA -0.161 4.309 4.470 -0.000 0.000 0.227 352 S C 2.538 176.946 174.600 -0.321 0.000 1.037 352 S CA 1.902 59.903 58.200 -0.330 0.000 1.024 352 S CB -0.557 62.471 63.200 -0.287 0.000 0.861 352 S HN 0.501 nan 8.310 nan 0.000 0.456 353 T N 1.549 115.950 114.554 -0.254 0.000 2.821 353 T HA -0.003 4.347 4.350 -0.000 0.000 0.267 353 T C 1.871 176.402 174.700 -0.281 0.000 1.046 353 T CA 1.055 63.016 62.100 -0.232 0.000 1.139 353 T CB -0.276 68.499 68.868 -0.155 0.000 0.871 353 T HN 0.231 nan 8.240 nan 0.000 0.454 354 V N 1.438 121.182 119.914 -0.284 0.000 2.649 354 V HA 0.040 4.160 4.120 -0.000 0.000 0.248 354 V C 2.886 178.611 176.094 -0.615 0.000 1.054 354 V CA 1.111 63.237 62.300 -0.290 0.000 1.073 354 V CB -1.087 30.688 31.823 -0.079 0.000 0.699 354 V HN 0.493 nan 8.190 nan 0.000 0.463 355 A N 0.170 122.387 122.820 -1.006 0.000 1.908 355 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 355 A C 2.374 179.423 177.584 -0.892 0.000 1.181 355 A CA 2.256 53.304 52.037 -1.648 0.000 0.627 355 A CB -0.615 17.568 19.000 -1.362 0.000 0.818 355 A HN 0.342 nan 8.150 nan 0.000 0.445 356 V N -0.433 119.104 119.914 -0.628 0.000 2.379 356 V HA -0.153 3.967 4.120 -0.000 0.000 0.245 356 V C 3.034 178.754 176.094 -0.622 0.000 1.044 356 V CA 1.639 63.583 62.300 -0.593 0.000 1.036 356 V CB -1.154 30.366 31.823 -0.504 0.000 0.664 356 V HN 0.613 nan 8.190 nan 0.000 0.453 357 A N 0.913 123.443 122.820 -0.484 0.000 1.908 357 A HA -0.187 4.133 4.320 -0.000 0.000 0.218 357 A C 2.329 179.718 177.584 -0.326 0.000 1.181 357 A CA 2.261 54.076 52.037 -0.369 0.000 0.627 357 A CB -0.876 17.966 19.000 -0.263 0.000 0.818 357 A HN 0.710 nan 8.150 nan 0.000 0.445 358 V N -2.626 117.066 119.914 -0.371 0.000 3.026 358 V HA -0.156 3.964 4.120 -0.000 0.000 0.265 358 V C 1.681 177.644 176.094 -0.220 0.000 1.121 358 V CA 2.246 64.363 62.300 -0.305 0.000 1.142 358 V CB -0.763 30.716 31.823 -0.575 0.000 0.730 358 V HN 0.554 nan 8.190 nan 0.000 0.503 359 K N 0.972 121.193 120.400 -0.297 0.000 2.161 359 K HA 0.420 4.740 4.320 -0.000 0.000 0.205 359 K C 2.459 178.933 176.600 -0.210 0.000 1.035 359 K CA 0.991 57.152 56.287 -0.210 0.000 0.970 359 K CB -0.376 31.971 32.500 -0.254 0.000 0.866 359 K HN 0.406 nan 8.250 nan 0.000 0.461 360 A N 1.696 124.254 122.820 -0.437 0.000 1.933 360 A HA -0.089 4.231 4.320 -0.000 0.000 0.218 360 A C 2.200 179.710 177.584 -0.124 0.000 1.175 360 A CA 1.905 53.756 52.037 -0.310 0.000 0.628 360 A CB -0.619 18.059 19.000 -0.537 0.000 0.814 360 A HN 0.331 nan 8.150 nan 0.000 0.444 361 A N -1.310 121.426 122.820 -0.140 0.000 2.238 361 A HA 0.076 4.396 4.320 -0.000 0.000 0.208 361 A C 1.820 179.383 177.584 -0.034 0.000 1.177 361 A CA 0.630 52.621 52.037 -0.076 0.000 0.804 361 A CB -0.296 18.653 19.000 -0.084 0.000 0.823 361 A HN 0.472 nan 8.150 nan 0.000 0.482 362 Q N 0.829 120.615 119.800 -0.023 0.000 2.061 362 Q HA -0.245 4.095 4.340 -0.000 0.000 0.204 362 Q C 1.916 177.926 176.000 0.016 0.000 0.984 362 Q CA 2.027 57.836 55.803 0.009 0.000 0.846 362 Q CB -0.487 28.267 28.738 0.026 0.000 0.902 362 Q HN 0.999 nan 8.270 nan 0.000 0.421 363 E N 0.102 120.313 120.200 0.018 0.000 2.171 363 E HA -0.169 4.181 4.350 -0.000 0.000 0.197 363 E C 0.057 176.664 176.600 0.012 0.000 0.997 363 E CA 0.312 56.724 56.400 0.020 0.000 0.810 363 E CB -0.270 29.445 29.700 0.026 0.000 0.738 363 E HN 0.046 nan 8.360 nan 0.000 0.467 364 L N 2.399 123.625 121.223 0.005 0.000 2.453 364 L HA 0.058 4.398 4.340 -0.000 0.000 0.272 364 L C 0.336 177.210 176.870 0.005 0.000 1.182 364 L CA 0.877 55.718 54.840 0.001 0.000 0.858 364 L CB 0.762 42.817 42.059 -0.008 0.000 1.120 364 L HN 0.165 nan 8.230 nan 0.000 0.474 365 Q N 2.245 122.049 119.800 0.005 0.000 2.204 365 Q HA 0.343 4.683 4.340 -0.000 0.000 0.254 365 Q C -0.400 175.603 176.000 0.005 0.000 0.981 365 Q CA -0.943 54.864 55.803 0.007 0.000 0.897 365 Q CB 1.431 30.173 28.738 0.007 0.000 1.273 365 Q HN 0.580 nan 8.270 nan 0.000 0.464 366 E N -0.208 119.996 120.200 0.007 0.000 2.467 366 E HA 0.076 4.426 4.350 -0.000 0.000 0.264 366 E C 0.463 177.065 176.600 0.003 0.000 1.020 366 E CA 0.609 57.012 56.400 0.005 0.000 0.945 366 E CB 0.067 29.771 29.700 0.006 0.000 0.942 366 E HN 0.896 nan 8.360 nan 0.000 0.449 367 G N 2.086 110.887 108.800 0.001 0.000 2.254 367 G HA2 -0.282 3.678 3.960 -0.000 0.000 0.225 367 G HA3 -0.282 3.678 3.960 -0.000 0.000 0.225 367 G C 0.172 175.070 174.900 -0.003 0.000 1.003 367 G CA 0.146 45.246 45.100 -0.001 0.000 0.622 367 G HN 0.541 nan 8.290 nan 0.000 0.507 368 Q N -0.222 119.576 119.800 -0.003 0.000 2.212 368 Q HA 0.721 5.061 4.340 -0.000 0.000 0.238 368 Q C 0.035 176.030 176.000 -0.009 0.000 0.955 368 Q CA -0.559 55.241 55.803 -0.006 0.000 0.906 368 Q CB 1.355 30.090 28.738 -0.005 0.000 1.215 368 Q HN 0.308 nan 8.270 nan 0.000 0.478 369 R N 0.134 120.627 120.500 -0.013 0.000 2.561 369 R HA 0.464 4.804 4.340 -0.000 0.000 0.297 369 R C -1.852 174.434 176.300 -0.024 0.000 0.969 369 R CA -0.336 55.754 56.100 -0.017 0.000 0.879 369 R CB 1.462 31.752 30.300 -0.017 0.000 1.178 369 R HN 0.703 nan 8.270 nan 0.000 0.445 370 C N 5.315 124.598 119.300 -0.028 0.000 2.340 370 C HA 0.653 5.113 4.460 -0.000 0.000 0.323 370 C C -0.858 174.106 174.990 -0.043 0.000 1.260 370 C CA -0.412 58.581 59.018 -0.042 0.000 1.464 370 C CB 0.567 28.276 27.740 -0.052 0.000 2.156 370 C HN 0.607 nan 8.230 nan 0.000 0.476 371 V N 6.868 126.753 119.914 -0.049 0.000 2.394 371 V HA 0.541 4.661 4.120 -0.000 0.000 0.282 371 V C 0.158 176.216 176.094 -0.060 0.000 1.031 371 V CA -0.279 61.993 62.300 -0.047 0.000 0.881 371 V CB 1.431 33.228 31.823 -0.043 0.000 0.982 371 V HN 0.748 nan 8.190 nan 0.000 0.451 372 V N 6.570 126.453 119.914 -0.052 0.000 2.667 372 V HA 0.580 4.700 4.120 -0.000 0.000 0.308 372 V C -0.400 175.671 176.094 -0.039 0.000 1.048 372 V CA -0.601 61.661 62.300 -0.063 0.000 0.928 372 V CB 2.132 33.914 31.823 -0.068 0.000 1.004 372 V HN 0.748 nan 8.190 nan 0.000 0.444 373 I N 6.360 126.901 120.570 -0.049 0.000 2.339 373 I HA 0.391 4.561 4.170 -0.000 0.000 0.290 373 I C -0.677 175.445 176.117 0.009 0.000 0.994 373 I CA -0.392 60.894 61.300 -0.024 0.000 1.191 373 I CB 1.384 39.348 38.000 -0.059 0.000 1.343 373 I HN 0.321 nan 8.210 nan 0.000 0.458 374 L N 8.455 129.726 121.223 0.079 0.000 2.276 374 L HA 0.340 4.680 4.340 -0.000 0.000 0.286 374 L C -1.881 175.106 176.870 0.194 0.000 1.024 374 L CA -1.523 53.409 54.840 0.154 0.000 0.826 374 L CB 1.173 43.414 42.059 0.303 0.000 1.211 374 L HN 0.316 nan 8.230 nan 0.000 0.422 375 P HA -0.115 nan 4.420 nan 0.000 0.215 375 P C -0.437 176.981 177.300 0.197 0.000 1.157 375 P CA 1.219 64.400 63.100 0.135 0.000 0.863 375 P CB 0.209 31.960 31.700 0.085 0.000 0.787 376 D N -3.016 117.524 120.400 0.233 0.000 2.664 376 D HA 0.253 4.893 4.640 -0.000 0.000 0.292 376 D C -0.632 175.789 176.300 0.202 0.000 1.214 376 D CA -0.769 53.380 54.000 0.248 0.000 0.932 376 D CB 0.283 41.210 40.800 0.211 0.000 1.420 376 D HN -0.046 nan 8.370 nan 0.000 0.471 377 S N -1.107 114.683 115.700 0.149 0.000 2.681 377 S HA 0.371 4.841 4.470 -0.000 0.000 0.270 377 S C 1.495 176.165 174.600 0.116 0.000 1.209 377 S CA -0.088 58.108 58.200 -0.006 0.000 0.988 377 S CB 0.934 64.127 63.200 -0.011 0.000 1.006 377 S HN 0.960 nan 8.310 nan 0.000 0.558 378 V N -0.808 119.130 119.914 0.039 0.000 3.141 378 V HA 0.050 4.170 4.120 -0.000 0.000 0.265 378 V C 2.501 178.604 176.094 0.015 0.000 1.126 378 V CA 1.314 63.695 62.300 0.135 0.000 1.141 378 V CB -1.358 30.437 31.823 -0.047 0.000 0.743 378 V HN 0.942 nan 8.190 nan 0.000 0.492 379 R N 1.242 121.707 120.500 -0.057 0.000 2.113 379 R HA -0.244 4.096 4.340 -0.000 0.000 0.244 379 R C 1.877 178.046 176.300 -0.218 0.000 1.142 379 R CA 2.397 58.425 56.100 -0.119 0.000 0.953 379 R CB -0.354 29.891 30.300 -0.092 0.000 0.860 379 R HN 0.563 nan 8.270 nan 0.000 0.438 380 N N -0.597 117.869 118.700 -0.390 0.000 2.571 380 N HA -0.092 4.648 4.740 -0.000 0.000 0.189 380 N C -0.303 174.717 175.510 -0.816 0.000 1.154 380 N CA 0.797 53.458 53.050 -0.649 0.000 0.907 380 N CB 0.218 38.192 38.487 -0.855 0.000 0.977 380 N HN 0.386 nan 8.380 nan 0.000 0.449 381 Y N -1.374 118.826 120.300 -0.166 0.000 2.719 381 Y HA 0.293 4.843 4.550 -0.000 0.000 0.251 381 Y C 1.306 176.927 175.900 -0.465 0.000 1.159 381 Y CA -0.506 57.404 58.100 -0.318 0.000 1.166 381 Y CB 0.129 38.414 38.460 -0.291 0.000 1.219 381 Y HN -0.125 nan 8.280 nan 0.000 0.551 382 M N 0.083 119.538 119.600 -0.240 0.000 2.106 382 M HA -0.164 4.316 4.480 -0.000 0.000 0.259 382 M C 1.851 178.003 176.300 -0.246 0.000 1.068 382 M CA 2.139 57.299 55.300 -0.233 0.000 1.100 382 M CB -1.521 30.983 32.600 -0.160 0.000 1.351 382 M HN 0.424 nan 8.290 nan 0.000 0.404 383 T N -3.066 111.348 114.554 -0.233 0.000 3.206 383 T HA 0.227 4.577 4.350 -0.000 0.000 0.253 383 T C 1.000 175.464 174.700 -0.393 0.000 1.042 383 T CA -0.169 61.806 62.100 -0.207 0.000 0.931 383 T CB 0.578 69.382 68.868 -0.108 0.000 1.029 383 T HN 0.274 nan 8.240 nan 0.000 0.564 384 K N 0.345 120.350 120.400 -0.658 0.000 4.485 384 K HA 0.391 4.711 4.320 -0.000 0.000 0.264 384 K C 1.190 177.111 176.600 -1.133 0.000 1.023 384 K CA -0.136 55.261 56.287 -1.483 0.000 1.902 384 K CB -0.324 31.365 32.500 -1.351 0.000 3.087 384 K HN 0.164 nan 8.250 nan 0.000 0.774 385 F N 1.369 120.608 119.950 -1.185 0.000 2.373 385 F HA -0.070 4.457 4.527 -0.000 0.000 0.300 385 F C 1.403 177.062 175.800 -0.235 0.000 1.080 385 F CA 0.900 58.517 58.000 -0.639 0.000 1.417 385 F CB -0.222 38.270 39.000 -0.846 0.000 1.070 385 F HN 0.070 nan 8.300 nan 0.000 0.546 386 L N 0.336 121.001 121.223 -0.930 0.000 2.599 386 L HA 0.217 4.557 4.340 -0.000 0.000 0.230 386 L C 0.234 176.952 176.870 -0.253 0.000 1.141 386 L CA 0.633 55.095 54.840 -0.631 0.000 0.877 386 L CB -0.725 40.906 42.059 -0.713 0.000 1.009 386 L HN 0.355 nan 8.230 nan 0.000 0.447 387 S N -0.644 114.962 115.700 -0.157 0.000 2.552 387 S HA 0.235 4.704 4.470 -0.000 0.000 0.314 387 S C 0.547 175.213 174.600 0.110 0.000 1.099 387 S CA -0.703 57.488 58.200 -0.015 0.000 1.070 387 S CB 1.287 64.483 63.200 -0.007 0.000 0.998 387 S HN 0.183 nan 8.310 nan 0.000 0.474 388 D N 3.705 124.158 120.400 0.088 0.000 2.149 388 D HA -0.077 4.563 4.640 -0.000 0.000 0.198 388 D C 1.920 178.295 176.300 0.125 0.000 0.990 388 D CA 1.308 55.374 54.000 0.110 0.000 0.839 388 D CB 0.007 40.849 40.800 0.071 0.000 0.948 388 D HN 0.553 nan 8.370 nan 0.000 0.460 389 R N -0.616 119.950 120.500 0.110 0.000 2.094 389 R HA -0.180 4.160 4.340 -0.000 0.000 0.239 389 R C 2.174 178.558 176.300 0.141 0.000 1.137 389 R CA 1.572 57.732 56.100 0.100 0.000 0.943 389 R CB -0.518 29.836 30.300 0.090 0.000 0.850 389 R HN 0.306 nan 8.270 nan 0.000 0.433 390 W N 0.881 122.183 121.300 0.002 0.000 2.354 390 W HA -0.186 4.474 4.660 -0.000 0.000 0.315 390 W C 2.047 178.595 176.519 0.048 0.000 1.206 390 W CA 1.285 58.638 57.345 0.013 0.000 1.290 390 W CB -0.070 29.388 29.460 -0.003 0.000 1.152 390 W HN -0.045 nan 8.180 nan 0.000 0.489 391 M N 0.178 120.031 119.600 0.422 0.000 2.106 391 M HA -0.242 4.238 4.480 -0.000 0.000 0.259 391 M C 2.074 178.431 176.300 0.095 0.000 1.068 391 M CA 1.695 57.200 55.300 0.343 0.000 1.100 391 M CB -1.772 31.032 32.600 0.339 0.000 1.351 391 M HN 0.197 nan 8.290 nan 0.000 0.404 392 L N -0.240 121.014 121.223 0.051 0.000 1.988 392 L HA -0.269 4.071 4.340 -0.000 0.000 0.207 392 L C 2.664 179.465 176.870 -0.116 0.000 1.071 392 L CA 1.718 56.549 54.840 -0.015 0.000 0.744 392 L CB -0.898 41.165 42.059 0.007 0.000 0.893 392 L HN 0.340 nan 8.230 nan 0.000 0.433 393 Q N 0.262 119.975 119.800 -0.145 0.000 2.135 393 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 393 Q C 1.757 177.548 176.000 -0.348 0.000 0.981 393 Q CA 1.593 57.272 55.803 -0.207 0.000 0.856 393 Q CB -0.205 28.421 28.738 -0.186 0.000 0.902 393 Q HN 0.178 nan 8.270 nan 0.000 0.425 394 K N -0.008 120.063 120.400 -0.547 0.000 2.486 394 K HA 0.128 4.448 4.320 -0.000 0.000 0.194 394 K C 0.912 176.995 176.600 -0.862 0.000 1.033 394 K CA 0.760 56.553 56.287 -0.823 0.000 1.004 394 K CB -0.113 31.625 32.500 -1.269 0.000 0.798 394 K HN 0.526 nan 8.250 nan 0.000 0.495 395 G N 1.326 109.826 108.800 -0.500 0.000 2.246 395 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.273 395 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.273 395 G C 0.482 175.220 174.900 -0.270 0.000 1.055 395 G CA 0.181 45.082 45.100 -0.332 0.000 0.851 395 G HN 0.389 nan 8.290 nan 0.000 0.500 396 F N -1.570 118.384 119.950 0.007 0.000 2.622 396 F HA 0.477 5.004 4.527 -0.000 0.000 0.288 396 F C 1.525 177.380 175.800 0.092 0.000 1.120 396 F CA -0.214 57.840 58.000 0.091 0.000 1.423 396 F CB 0.362 39.472 39.000 0.183 0.000 1.127 396 F HN 0.285 nan 8.300 nan 0.000 0.588 397 L N 0.000 121.363 121.223 0.233 0.000 2.949 397 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 397 L CA 0.000 54.936 54.840 0.160 0.000 0.813 397 L CB 0.000 42.161 42.059 0.171 0.000 0.961 397 L HN 0.000 nan 8.230 nan 0.000 0.502