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 1maa_1_C DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDRKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SATDTLD VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.607 176.600 0.012 0.000 1.382 1 E CA 0.000 56.409 56.400 0.015 0.000 0.976 1 E CB 0.000 29.709 29.700 0.015 0.000 0.812 2 G N 2.535 111.343 108.800 0.013 0.000 2.352 2 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.204 2 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.204 2 G C 1.145 176.052 174.900 0.012 0.000 1.004 2 G CA 0.567 45.674 45.100 0.011 0.000 0.648 2 G HN 0.893 nan 8.290 nan 0.000 0.491 3 R N 0.404 120.911 120.500 0.011 0.000 2.246 3 R HA 0.577 4.917 4.340 -0.000 0.000 0.199 3 R C 0.996 177.304 176.300 0.013 0.000 0.984 3 R CA 1.774 57.880 56.100 0.010 0.000 1.015 3 R CB -0.274 30.029 30.300 0.006 0.000 0.930 3 R HN 0.542 nan 8.270 nan 0.000 0.475 4 E N 1.462 121.673 120.200 0.017 0.000 2.390 4 E HA 0.107 4.457 4.350 -0.000 0.000 0.261 4 E C -0.710 175.911 176.600 0.034 0.000 1.076 4 E CA -0.346 56.068 56.400 0.023 0.000 0.905 4 E CB 0.787 30.503 29.700 0.027 0.000 0.984 4 E HN 0.396 nan 8.360 nan 0.000 0.427 5 D N 3.597 124.023 120.400 0.044 0.000 2.458 5 D HA -0.030 4.610 4.640 -0.000 0.000 0.243 5 D C -1.525 174.821 176.300 0.077 0.000 1.146 5 D CA -1.256 52.790 54.000 0.075 0.000 0.877 5 D CB 1.024 41.886 40.800 0.103 0.000 1.176 5 D HN 0.246 nan 8.370 nan 0.000 0.461 6 P HA -0.113 nan 4.420 nan 0.000 0.221 6 P C 0.868 178.190 177.300 0.037 0.000 1.150 6 P CA 0.771 63.896 63.100 0.042 0.000 0.800 6 P CB 0.484 32.198 31.700 0.023 0.000 0.787 7 Q N -0.481 119.343 119.800 0.040 0.000 2.451 7 Q HA 0.124 4.464 4.340 -0.000 0.000 0.206 7 Q C 1.824 177.916 176.000 0.154 0.000 0.947 7 Q CA 0.640 56.444 55.803 0.001 0.000 0.937 7 Q CB 0.039 28.622 28.738 -0.258 0.000 1.025 7 Q HN 0.436 nan 8.270 nan 0.000 0.511 8 L N -0.104 121.229 121.223 0.184 0.000 2.728 8 L HA 0.244 4.584 4.340 -0.000 0.000 0.238 8 L C 0.382 177.422 176.870 0.283 0.000 1.143 8 L CA -0.111 54.870 54.840 0.234 0.000 0.937 8 L CB 0.492 42.596 42.059 0.075 0.000 1.225 8 L HN 0.035 nan 8.230 nan 0.000 0.507 9 L N 2.052 123.388 121.223 0.189 0.000 2.287 9 L HA 0.599 4.939 4.340 -0.000 0.000 0.287 9 L C -0.961 175.955 176.870 0.075 0.000 1.022 9 L CA -0.189 54.738 54.840 0.144 0.000 0.814 9 L CB 1.773 43.880 42.059 0.081 0.000 1.217 9 L HN -0.210 nan 8.230 nan 0.000 0.420 10 V N 5.675 125.621 119.914 0.054 0.000 2.789 10 V HA 0.553 4.673 4.120 -0.000 0.000 0.311 10 V C -0.094 175.939 176.094 -0.102 0.000 1.073 10 V CA -0.890 61.306 62.300 -0.174 0.000 0.921 10 V CB 2.509 33.964 31.823 -0.614 0.000 1.009 10 V HN 0.725 nan 8.190 nan 0.000 0.426 11 R N 1.806 122.206 120.500 -0.166 0.000 2.407 11 R HA 0.830 5.169 4.340 -0.000 0.000 0.303 11 R C -1.601 174.619 176.300 -0.133 0.000 0.981 11 R CA -0.266 55.772 56.100 -0.103 0.000 0.905 11 R CB 1.851 32.088 30.300 -0.105 0.000 1.099 11 R HN 0.562 nan 8.270 nan 0.000 0.459 12 V N 3.672 123.554 119.914 -0.054 0.000 3.040 12 V HA 0.200 4.320 4.120 -0.000 0.000 0.312 12 V C 0.898 176.918 176.094 -0.124 0.000 1.115 12 V CA -0.784 61.492 62.300 -0.040 0.000 0.998 12 V CB 1.888 33.859 31.823 0.247 0.000 1.042 12 V HN 0.834 nan 8.190 nan 0.000 0.433 13 R N 2.722 123.129 120.500 -0.155 0.000 2.174 13 R HA -0.156 4.184 4.340 -0.000 0.000 0.253 13 R C 1.588 177.769 176.300 -0.199 0.000 1.165 13 R CA 2.526 58.531 56.100 -0.158 0.000 0.984 13 R CB -0.738 29.474 30.300 -0.146 0.000 0.873 13 R HN 0.875 nan 8.270 nan 0.000 0.456 14 G N -2.360 106.278 108.800 -0.269 0.000 2.744 14 G HA2 0.415 4.375 3.960 -0.000 0.000 0.211 14 G HA3 0.415 4.375 3.960 -0.000 0.000 0.211 14 G C 0.347 174.405 174.900 -1.405 0.000 1.146 14 G CA 0.315 45.049 45.100 -0.611 0.000 0.787 14 G HN 0.717 nan 8.290 nan 0.000 0.534 15 G N -1.147 106.931 108.800 -1.204 0.000 2.345 15 G HA2 0.322 4.282 3.960 -0.000 0.000 0.285 15 G HA3 0.322 4.282 3.960 -0.000 0.000 0.285 15 G C -1.454 173.282 174.900 -0.274 0.000 1.297 15 G CA -0.882 43.574 45.100 -1.073 0.000 0.875 15 G HN 0.212 nan 8.290 nan 0.000 0.506 16 Q N -0.699 119.131 119.800 0.050 0.000 2.205 16 Q HA 0.724 5.064 4.340 -0.000 0.000 0.249 16 Q C -0.723 175.574 176.000 0.495 0.000 0.948 16 Q CA -0.647 55.296 55.803 0.234 0.000 0.895 16 Q CB 2.183 31.008 28.738 0.145 0.000 1.249 16 Q HN 0.820 nan 8.270 nan 0.000 0.458 17 L N -1.879 119.558 121.223 0.358 0.000 2.556 17 L HA 0.635 4.975 4.340 -0.000 0.000 0.257 17 L C -1.125 175.922 176.870 0.295 0.000 0.955 17 L CA -0.991 54.061 54.840 0.354 0.000 0.850 17 L CB 1.796 44.117 42.059 0.437 0.000 1.398 17 L HN 0.601 nan 8.230 nan 0.000 0.412 18 R N 0.911 121.547 120.500 0.225 0.000 2.494 18 R HA 0.886 5.226 4.340 -0.000 0.000 0.305 18 R C -0.302 176.051 176.300 0.089 0.000 0.959 18 R CA -0.114 56.091 56.100 0.175 0.000 0.864 18 R CB 1.827 32.181 30.300 0.090 0.000 1.159 18 R HN 1.034 nan 8.270 nan 0.000 0.446 19 G N 3.333 112.107 108.800 -0.044 0.000 2.695 19 G HA2 0.469 4.429 3.960 -0.000 0.000 0.213 19 G HA3 0.469 4.429 3.960 -0.000 0.000 0.213 19 G C -0.845 173.825 174.900 -0.383 0.000 1.406 19 G CA -0.738 44.063 45.100 -0.498 0.000 1.049 19 G HN 0.632 nan 8.290 nan 0.000 0.573 20 I N -1.089 119.189 120.570 -0.487 0.000 2.827 20 I HA 0.503 4.673 4.170 -0.000 0.000 0.298 20 I C -0.795 175.168 176.117 -0.257 0.000 1.235 20 I CA -1.041 60.084 61.300 -0.291 0.000 1.021 20 I CB 2.338 40.185 38.000 -0.255 0.000 1.259 20 I HN 0.477 nan 8.210 nan 0.000 0.427 21 R N 6.316 126.705 120.500 -0.185 0.000 2.234 21 R HA 0.526 4.866 4.340 -0.000 0.000 0.324 21 R C -1.741 174.443 176.300 -0.194 0.000 1.054 21 R CA -0.444 55.532 56.100 -0.207 0.000 0.912 21 R CB 0.817 30.906 30.300 -0.352 0.000 1.030 21 R HN 0.496 nan 8.270 nan 0.000 0.455 22 L N 3.358 124.494 121.223 -0.146 0.000 2.330 22 L HA 0.455 4.795 4.340 -0.000 0.000 0.271 22 L C -0.214 176.589 176.870 -0.113 0.000 1.013 22 L CA -0.546 54.226 54.840 -0.112 0.000 0.816 22 L CB 1.627 43.653 42.059 -0.055 0.000 1.287 22 L HN 0.496 nan 8.230 nan 0.000 0.435 23 K N 1.815 122.151 120.400 -0.108 0.000 2.293 23 K HA 0.713 5.032 4.320 -0.000 0.000 0.267 23 K C -0.958 175.567 176.600 -0.125 0.000 1.010 23 K CA -0.308 55.916 56.287 -0.105 0.000 0.875 23 K CB 1.458 33.904 32.500 -0.090 0.000 1.106 23 K HN 0.730 nan 8.250 nan 0.000 0.450 24 A N 5.205 127.945 122.820 -0.133 0.000 2.294 24 A HA 0.512 4.832 4.320 -0.000 0.000 0.330 24 A C -1.836 175.695 177.584 -0.087 0.000 1.133 24 A CA -1.554 50.361 52.037 -0.203 0.000 0.836 24 A CB 0.570 19.432 19.000 -0.229 0.000 1.190 24 A HN 0.439 nan 8.150 nan 0.000 0.492 25 P HA -0.187 nan 4.420 nan 0.000 0.217 25 P C 1.200 178.510 177.300 0.018 0.000 1.158 25 P CA 2.386 65.505 63.100 0.033 0.000 0.887 25 P CB 0.213 31.979 31.700 0.111 0.000 0.792 26 G N -2.536 106.274 108.800 0.017 0.000 3.337 26 G HA2 0.488 4.448 3.960 -0.000 0.000 0.246 26 G HA3 0.488 4.448 3.960 -0.000 0.000 0.246 26 G C 0.367 175.273 174.900 0.009 0.000 1.131 26 G CA 0.382 45.492 45.100 0.016 0.000 0.773 26 G HN 0.597 nan 8.290 nan 0.000 0.544 27 G N -0.319 108.478 108.800 -0.005 0.000 2.337 27 G HA2 0.427 4.387 3.960 -0.000 0.000 0.298 27 G HA3 0.427 4.387 3.960 -0.000 0.000 0.298 27 G C -3.424 171.466 174.900 -0.017 0.000 1.335 27 G CA -0.713 44.387 45.100 0.000 0.000 0.875 27 G HN 0.031 nan 8.290 nan 0.000 0.579 28 P HA 0.665 nan 4.420 nan 0.000 0.278 28 P C -0.878 176.459 177.300 0.061 0.000 1.258 28 P CA -0.504 62.563 63.100 -0.054 0.000 0.811 28 P CB 2.249 33.838 31.700 -0.186 0.000 1.063 29 V N 0.408 120.357 119.914 0.059 0.000 2.932 29 V HA 0.229 4.349 4.120 -0.000 0.000 0.307 29 V C -0.265 175.944 176.094 0.191 0.000 1.147 29 V CA -0.492 61.908 62.300 0.167 0.000 0.951 29 V CB 2.473 34.367 31.823 0.118 0.000 1.031 29 V HN 0.548 nan 8.190 nan 0.000 0.426 30 S N 2.828 118.701 115.700 0.288 0.000 2.554 30 S HA 0.854 5.324 4.470 -0.000 0.000 0.278 30 S C -0.131 174.499 174.600 0.050 0.000 1.242 30 S CA -0.236 58.090 58.200 0.210 0.000 1.051 30 S CB 1.601 65.046 63.200 0.407 0.000 0.986 30 S HN 1.214 nan 8.310 nan 0.000 0.502 31 A N 2.412 125.008 122.820 -0.374 0.000 2.402 31 A HA 0.700 5.020 4.320 -0.000 0.000 0.291 31 A C -1.372 175.747 177.584 -0.775 0.000 1.051 31 A CA -0.678 51.060 52.037 -0.499 0.000 0.716 31 A CB 0.441 19.135 19.000 -0.510 0.000 1.223 31 A HN 0.612 nan 8.150 nan 0.000 0.425 32 F N 3.296 123.095 119.950 -0.252 0.000 2.325 32 F HA 0.559 5.086 4.527 -0.000 0.000 0.369 32 F C -0.456 175.170 175.800 -0.291 0.000 1.095 32 F CA -0.965 56.954 58.000 -0.134 0.000 1.082 32 F CB 1.278 40.364 39.000 0.143 0.000 1.289 32 F HN 0.236 nan 8.300 nan 0.000 0.462 33 L N 2.078 123.143 121.223 -0.264 0.000 2.317 33 L HA 0.724 5.064 4.340 -0.000 0.000 0.281 33 L C 0.840 177.614 176.870 -0.160 0.000 1.024 33 L CA -0.926 53.724 54.840 -0.316 0.000 0.810 33 L CB 1.133 42.824 42.059 -0.615 0.000 1.240 33 L HN 0.786 nan 8.230 nan 0.000 0.427 34 G N 3.056 111.824 108.800 -0.053 0.000 2.149 34 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.235 34 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.235 34 G C 0.117 175.015 174.900 -0.004 0.000 1.018 34 G CA -0.234 44.822 45.100 -0.074 0.000 0.728 34 G HN 0.477 nan 8.290 nan 0.000 0.508 35 I N 2.322 122.933 120.570 0.069 0.000 2.436 35 I HA 0.238 4.408 4.170 -0.000 0.000 0.289 35 I C -1.444 174.750 176.117 0.128 0.000 1.083 35 I CA -2.004 59.337 61.300 0.068 0.000 1.372 35 I CB 0.842 38.870 38.000 0.045 0.000 1.408 35 I HN -0.031 nan 8.210 nan 0.000 0.516 36 P HA 0.051 nan 4.420 nan 0.000 0.276 36 P C -0.224 177.052 177.300 -0.040 0.000 1.235 36 P CA -0.039 63.036 63.100 -0.043 0.000 0.772 36 P CB 0.627 32.298 31.700 -0.049 0.000 0.871 37 F N 1.119 120.931 119.950 -0.231 0.000 2.706 37 F HA 0.718 5.245 4.527 -0.000 0.000 0.308 37 F C 0.129 175.920 175.800 -0.015 0.000 1.095 37 F CA -0.732 57.163 58.000 -0.174 0.000 1.244 37 F CB 0.206 38.969 39.000 -0.396 0.000 1.063 37 F HN 0.328 nan 8.300 nan 0.000 0.582 38 A N 0.173 122.716 122.820 -0.462 0.000 2.572 38 A HA 0.554 4.874 4.320 -0.000 0.000 0.295 38 A C -0.966 176.448 177.584 -0.283 0.000 1.072 38 A CA -0.757 51.094 52.037 -0.309 0.000 0.691 38 A CB 1.080 19.814 19.000 -0.443 0.000 1.291 38 A HN 0.070 nan 8.150 nan 0.000 0.404 39 E N 2.652 122.772 120.200 -0.134 0.000 2.344 39 E HA 0.227 4.577 4.350 -0.000 0.000 0.270 39 E C -2.192 174.313 176.600 -0.159 0.000 1.021 39 E CA -1.456 54.884 56.400 -0.100 0.000 0.887 39 E CB 0.529 30.212 29.700 -0.029 0.000 0.997 39 E HN 0.395 nan 8.360 nan 0.000 0.429 40 P HA -0.055 nan 4.420 nan 0.000 0.253 40 P C -2.284 174.938 177.300 -0.132 0.000 1.159 40 P CA -0.701 62.298 63.100 -0.168 0.000 0.779 40 P CB -0.307 31.331 31.700 -0.103 0.000 0.745 41 P HA 0.005 nan 4.420 nan 0.000 0.232 41 P C 0.182 177.400 177.300 -0.137 0.000 1.738 41 P CA 0.120 63.145 63.100 -0.125 0.000 0.948 41 P CB -0.209 31.416 31.700 -0.126 0.000 1.943 42 V N -3.077 116.766 119.914 -0.118 0.000 3.096 42 V HA 0.886 5.006 4.120 -0.000 0.000 0.319 42 V C 1.022 177.055 176.094 -0.101 0.000 1.103 42 V CA 0.082 62.308 62.300 -0.123 0.000 1.016 42 V CB 0.863 32.624 31.823 -0.103 0.000 1.090 42 V HN 0.510 nan 8.190 nan 0.000 0.449 43 G N 2.462 111.200 108.800 -0.103 0.000 2.634 43 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.318 43 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.318 43 G C 1.223 176.077 174.900 -0.076 0.000 1.207 43 G CA 1.768 46.823 45.100 -0.076 0.000 0.987 43 G HN 2.376 nan 8.290 nan 0.000 0.547 44 S N 0.328 116.001 115.700 -0.045 0.000 2.607 44 S HA 0.175 4.645 4.470 -0.000 0.000 0.224 44 S C 1.818 176.402 174.600 -0.027 0.000 0.969 44 S CA 1.310 59.496 58.200 -0.024 0.000 0.927 44 S CB 0.180 63.377 63.200 -0.005 0.000 0.772 44 S HN 0.543 nan 8.310 nan 0.000 0.533 45 R N 1.281 121.749 120.500 -0.053 0.000 2.317 45 R HA 0.273 4.613 4.340 -0.000 0.000 0.208 45 R C 0.565 176.811 176.300 -0.091 0.000 0.914 45 R CA -0.131 55.939 56.100 -0.050 0.000 1.060 45 R CB -0.290 29.977 30.300 -0.055 0.000 1.015 45 R HN 0.466 nan 8.270 nan 0.000 0.498 46 R N 0.551 120.949 120.500 -0.170 0.000 2.489 46 R HA -0.053 4.287 4.340 -0.000 0.000 0.287 46 R C -0.125 175.953 176.300 -0.370 0.000 1.053 46 R CA 0.390 56.254 56.100 -0.394 0.000 1.036 46 R CB 0.136 30.060 30.300 -0.627 0.000 0.966 46 R HN 0.039 nan 8.270 nan 0.000 0.432 47 F N -0.688 119.280 119.950 0.030 0.000 2.571 47 F HA -0.297 4.230 4.527 -0.000 0.000 0.515 47 F C 0.296 176.096 175.800 0.000 0.000 0.532 47 F CA 0.505 58.506 58.000 0.002 0.000 1.158 47 F CB -1.398 37.595 39.000 -0.011 0.000 1.848 47 F HN 0.456 nan 8.300 nan 0.000 0.266 48 M N 1.667 121.344 119.600 0.128 0.000 2.228 48 M HA 0.315 4.795 4.480 -0.000 0.000 0.326 48 M C -1.798 174.536 176.300 0.058 0.000 1.122 48 M CA -1.339 54.012 55.300 0.085 0.000 1.161 48 M CB -0.094 32.536 32.600 0.051 0.000 1.437 48 M HN -0.275 nan 8.290 nan 0.000 0.465 49 P HA 0.188 nan 4.420 nan 0.000 0.272 49 P C -2.421 174.908 177.300 0.049 0.000 1.230 49 P CA -0.740 62.398 63.100 0.063 0.000 0.788 49 P CB -0.399 31.349 31.700 0.079 0.000 0.949 50 P HA 0.099 nan 4.420 nan 0.000 0.276 50 P C -0.732 176.602 177.300 0.057 0.000 1.235 50 P CA -0.036 63.088 63.100 0.041 0.000 0.772 50 P CB 0.637 32.380 31.700 0.071 0.000 0.871 51 E N 4.138 124.358 120.200 0.032 0.000 2.191 51 E HA 0.488 4.838 4.350 -0.000 0.000 0.278 51 E C -2.629 174.007 176.600 0.060 0.000 0.972 51 E CA -2.933 53.498 56.400 0.050 0.000 0.804 51 E CB 0.263 29.985 29.700 0.037 0.000 1.110 51 E HN 0.242 nan 8.360 nan 0.000 0.394 52 P HA -0.126 nan 4.420 nan 0.000 0.266 52 P C -0.642 176.736 177.300 0.130 0.000 1.186 52 P CA -0.047 63.140 63.100 0.145 0.000 0.767 52 P CB 0.365 32.160 31.700 0.157 0.000 0.820 53 K N 3.853 124.358 120.400 0.175 0.000 2.419 53 K HA 0.030 4.350 4.320 -0.000 0.000 0.282 53 K C 0.088 176.831 176.600 0.238 0.000 1.056 53 K CA 0.445 56.845 56.287 0.189 0.000 1.035 53 K CB -0.223 32.437 32.500 0.267 0.000 0.921 53 K HN 0.253 nan 8.250 nan 0.000 0.472 54 R N 4.927 125.539 120.500 0.186 0.000 2.590 54 R HA 0.109 4.449 4.340 -0.000 0.000 0.274 54 R C -1.962 174.481 176.300 0.239 0.000 1.061 54 R CA -1.467 54.732 56.100 0.165 0.000 1.081 54 R CB 0.247 30.619 30.300 0.120 0.000 0.984 54 R HN 0.536 nan 8.270 nan 0.000 0.448 55 P HA -0.081 nan 4.420 nan 0.000 0.266 55 P C -1.313 176.059 177.300 0.120 0.000 1.195 55 P CA 0.316 63.414 63.100 -0.002 0.000 0.768 55 P CB 0.306 31.951 31.700 -0.093 0.000 0.838 56 W N 1.417 122.760 121.300 0.070 0.000 2.719 56 W HA 0.707 5.367 4.660 -0.000 0.000 0.352 56 W C -0.824 175.726 176.519 0.052 0.000 1.085 56 W CA -0.942 56.440 57.345 0.061 0.000 1.187 56 W CB 0.370 29.873 29.460 0.072 0.000 1.417 56 W HN 0.359 nan 8.180 nan 0.000 0.557 57 S N 1.610 117.442 115.700 0.220 0.000 2.638 57 S HA 0.907 5.377 4.470 -0.000 0.000 0.298 57 S C 0.241 174.982 174.600 0.236 0.000 1.111 57 S CA -0.107 58.164 58.200 0.117 0.000 1.027 57 S CB 1.081 64.329 63.200 0.081 0.000 1.064 57 S HN 2.185 nan 8.310 nan 0.000 0.525 58 G N -0.233 108.664 108.800 0.162 0.000 2.728 58 G HA2 -0.049 3.911 3.960 -0.000 0.000 0.294 58 G HA3 -0.049 3.911 3.960 -0.000 0.000 0.294 58 G C -1.000 174.055 174.900 0.259 0.000 1.342 58 G CA -0.479 44.727 45.100 0.177 0.000 0.866 58 G HN 1.560 nan 8.290 nan 0.000 0.534 59 V N 1.991 122.025 119.914 0.201 0.000 2.333 59 V HA 0.456 4.576 4.120 -0.000 0.000 0.274 59 V C 0.943 177.145 176.094 0.179 0.000 1.028 59 V CA -0.838 61.592 62.300 0.217 0.000 0.851 59 V CB 1.297 33.202 31.823 0.137 0.000 1.000 59 V HN 0.796 nan 8.190 nan 0.000 0.456 60 L N 4.410 125.768 121.223 0.224 0.000 2.455 60 L HA 0.284 4.624 4.340 -0.000 0.000 0.272 60 L C 0.217 177.092 176.870 0.009 0.000 1.174 60 L CA 0.367 55.196 54.840 -0.019 0.000 0.869 60 L CB 0.961 42.845 42.059 -0.292 0.000 1.130 60 L HN 0.754 nan 8.230 nan 0.000 0.474 61 D N 4.220 124.587 120.400 -0.056 0.000 2.422 61 D HA 0.312 4.952 4.640 -0.000 0.000 0.227 61 D C 0.259 176.512 176.300 -0.080 0.000 1.190 61 D CA -0.048 53.920 54.000 -0.052 0.000 0.905 61 D CB 0.754 41.511 40.800 -0.072 0.000 1.034 61 D HN 0.582 nan 8.370 nan 0.000 0.507 62 A N 3.263 126.064 122.820 -0.032 0.000 3.181 62 A HA 0.220 4.540 4.320 -0.000 0.000 0.293 62 A C 1.317 178.808 177.584 -0.156 0.000 1.346 62 A CA -0.243 51.763 52.037 -0.051 0.000 1.018 62 A CB -0.412 18.657 19.000 0.115 0.000 1.093 62 A HN 0.560 nan 8.150 nan 0.000 0.629 63 T N -3.953 110.492 114.554 -0.181 0.000 3.014 63 T HA 0.203 4.553 4.350 -0.000 0.000 0.250 63 T C 0.756 175.290 174.700 -0.276 0.000 1.060 63 T CA 0.785 62.744 62.100 -0.235 0.000 1.040 63 T CB 0.146 68.908 68.868 -0.177 0.000 0.971 63 T HN 0.305 nan 8.240 nan 0.000 0.497 64 T N 0.758 115.161 114.554 -0.251 0.000 2.907 64 T HA 0.597 4.947 4.350 -0.000 0.000 0.292 64 T C -1.249 173.306 174.700 -0.241 0.000 1.043 64 T CA -0.932 61.017 62.100 -0.252 0.000 1.003 64 T CB 0.571 69.347 68.868 -0.152 0.000 1.084 64 T HN 0.080 nan 8.240 nan 0.000 0.483 65 F N 3.023 122.901 119.950 -0.119 0.000 2.553 65 F HA 0.302 4.829 4.527 -0.000 0.000 0.356 65 F C 1.336 177.047 175.800 -0.149 0.000 1.142 65 F CA -0.000 57.937 58.000 -0.105 0.000 1.322 65 F CB 0.569 39.537 39.000 -0.054 0.000 1.126 65 F HN 0.418 nan 8.300 nan 0.000 0.599 66 Q N 1.170 121.014 119.800 0.074 0.000 2.166 66 Q HA 0.228 4.568 4.340 -0.000 0.000 0.226 66 Q C -0.249 175.731 176.000 -0.034 0.000 0.989 66 Q CA -0.925 54.791 55.803 -0.144 0.000 0.966 66 Q CB 0.668 29.075 28.738 -0.553 0.000 1.173 66 Q HN 0.500 nan 8.270 nan 0.000 0.509 67 N N -0.180 118.484 118.700 -0.059 0.000 2.237 67 N HA -0.054 4.686 4.740 -0.000 0.000 0.245 67 N C -0.615 174.893 175.510 -0.003 0.000 1.239 67 N CA 0.272 53.311 53.050 -0.019 0.000 0.842 67 N CB 0.265 38.760 38.487 0.014 0.000 1.089 67 N HN 0.175 nan 8.380 nan 0.000 0.454 68 V N 2.014 121.885 119.914 -0.072 0.000 2.567 68 V HA 0.113 4.233 4.120 -0.000 0.000 0.289 68 V C 0.488 176.521 176.094 -0.101 0.000 1.049 68 V CA -0.835 61.402 62.300 -0.104 0.000 0.969 68 V CB 1.280 33.006 31.823 -0.161 0.000 0.995 68 V HN 0.727 nan 8.190 nan 0.000 0.471 69 c N 4.567 123.123 118.600 -0.072 0.000 2.642 69 c HA 0.079 4.649 4.570 -0.000 0.000 0.420 69 c C 0.461 174.510 174.090 -0.068 0.000 1.349 69 c CA -0.563 55.735 56.329 -0.053 0.000 1.821 69 c CB -1.090 41.420 42.510 0.000 0.000 2.637 69 c HN 0.721 nan 8.230 nan 0.000 0.605 70 Y N 4.384 124.569 120.300 -0.191 0.000 2.802 70 Y HA 0.160 4.710 4.550 -0.000 0.000 0.333 70 Y C 0.808 176.766 175.900 0.096 0.000 1.244 70 Y CA 1.117 59.115 58.100 -0.170 0.000 1.558 70 Y CB 0.010 38.139 38.460 -0.552 0.000 1.233 70 Y HN 0.763 nan 8.280 nan 0.000 0.547 71 Q N 3.931 123.836 119.800 0.176 0.000 2.707 71 Q HA 0.294 4.634 4.340 -0.000 0.000 0.307 71 Q C -1.814 174.406 176.000 0.367 0.000 0.934 71 Q CA -1.252 54.764 55.803 0.355 0.000 0.753 71 Q CB 1.442 30.310 28.738 0.218 0.000 1.478 71 Q HN 0.572 nan 8.270 nan 0.000 0.458 72 Y N 0.916 121.441 120.300 0.374 0.000 2.346 72 Y HA 0.483 5.033 4.550 -0.000 0.000 0.330 72 Y C -1.129 174.961 175.900 0.317 0.000 1.178 72 Y CA -0.205 58.141 58.100 0.410 0.000 1.331 72 Y CB 1.198 40.039 38.460 0.635 0.000 1.253 72 Y HN 0.408 nan 8.280 nan 0.000 0.529 73 V N 5.892 125.533 119.914 -0.455 0.000 2.417 73 V HA 0.137 4.257 4.120 -0.000 0.000 0.291 73 V C -0.644 175.114 176.094 -0.561 0.000 1.024 73 V CA -1.037 61.072 62.300 -0.319 0.000 0.861 73 V CB 1.389 33.104 31.823 -0.180 0.000 0.985 73 V HN 0.758 nan 8.190 nan 0.000 0.436 74 D N 3.549 123.905 120.400 -0.073 0.000 2.348 74 D HA 0.108 4.748 4.640 -0.000 0.000 0.259 74 D C 1.213 177.568 176.300 0.092 0.000 1.296 74 D CA 0.202 54.299 54.000 0.162 0.000 0.931 74 D CB 0.986 42.051 40.800 0.442 0.000 1.067 74 D HN 0.763 nan 8.370 nan 0.000 0.503 75 T N 1.221 115.794 114.554 0.032 0.000 3.186 75 T HA 0.029 4.379 4.350 -0.000 0.000 0.257 75 T C 1.632 176.350 174.700 0.030 0.000 1.029 75 T CA -0.476 61.641 62.100 0.028 0.000 0.916 75 T CB -0.150 68.714 68.868 -0.007 0.000 1.041 75 T HN 0.254 nan 8.240 nan 0.000 0.562 76 L N 0.663 121.891 121.223 0.009 0.000 1.970 76 L HA 0.099 4.439 4.340 -0.000 0.000 0.212 76 L C 0.015 176.776 176.870 -0.183 0.000 1.071 76 L CA 1.690 56.401 54.840 -0.216 0.000 0.751 76 L CB -0.405 41.336 42.059 -0.530 0.000 0.889 76 L HN 0.399 nan 8.230 nan 0.000 0.432 77 Y N -0.133 120.191 120.300 0.039 0.000 2.837 77 Y HA 0.428 4.978 4.550 -0.000 0.000 0.356 77 Y C -2.165 173.771 175.900 0.060 0.000 1.035 77 Y CA -3.989 54.126 58.100 0.023 0.000 1.165 77 Y CB -0.561 37.909 38.460 0.016 0.000 1.147 77 Y HN 0.106 nan 8.280 nan 0.000 0.628 78 P HA 0.078 nan 4.420 nan 0.000 0.260 78 P C 1.019 178.370 177.300 0.085 0.000 1.172 78 P CA 1.765 64.924 63.100 0.098 0.000 0.760 78 P CB 0.596 32.332 31.700 0.060 0.000 0.773 79 G N 2.544 111.380 108.800 0.059 0.000 2.199 79 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.254 79 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.254 79 G C -0.034 174.898 174.900 0.054 0.000 0.982 79 G CA -0.480 44.638 45.100 0.030 0.000 0.632 79 G HN 0.530 nan 8.290 nan 0.000 0.529 80 F N 2.471 122.363 119.950 -0.096 0.000 2.445 80 F HA 0.546 5.073 4.527 -0.000 0.000 0.359 80 F C 1.364 177.052 175.800 -0.186 0.000 1.101 80 F CA -0.566 57.323 58.000 -0.185 0.000 1.177 80 F CB 1.042 39.891 39.000 -0.251 0.000 1.110 80 F HN 0.286 nan 8.300 nan 0.000 0.522 81 E N 4.070 123.857 120.200 -0.688 0.000 2.033 81 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 81 E C 2.082 178.177 176.600 -0.841 0.000 1.011 81 E CA 1.751 57.759 56.400 -0.653 0.000 0.815 81 E CB -0.475 28.919 29.700 -0.510 0.000 0.755 81 E HN 0.975 nan 8.360 nan 0.000 0.451 82 G N -0.850 107.009 108.800 -1.567 0.000 2.499 82 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 82 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 82 G C 1.531 176.328 174.900 -0.172 0.000 1.109 82 G CA 1.401 45.870 45.100 -1.051 0.000 0.749 82 G HN 0.318 nan 8.290 nan 0.000 0.568 83 T N -0.403 113.959 114.554 -0.321 0.000 3.046 83 T HA 0.076 4.426 4.350 -0.000 0.000 0.242 83 T C 2.196 177.039 174.700 0.239 0.000 1.018 83 T CA 0.571 62.862 62.100 0.319 0.000 1.131 83 T CB 0.106 69.227 68.868 0.420 0.000 0.904 83 T HN 0.292 nan 8.240 nan 0.000 0.459 84 E N 2.266 122.455 120.200 -0.017 0.000 2.208 84 E HA -0.079 4.271 4.350 -0.000 0.000 0.193 84 E C 2.183 178.690 176.600 -0.156 0.000 0.988 84 E CA 0.800 57.170 56.400 -0.050 0.000 0.828 84 E CB -0.453 29.187 29.700 -0.099 0.000 0.763 84 E HN 0.656 nan 8.360 nan 0.000 0.478 85 M N -1.460 117.945 119.600 -0.326 0.000 2.426 85 M HA -0.118 4.362 4.480 -0.000 0.000 0.261 85 M C 0.955 176.826 176.300 -0.716 0.000 1.068 85 M CA 1.575 56.521 55.300 -0.590 0.000 1.066 85 M CB -0.553 31.567 32.600 -0.801 0.000 1.399 85 M HN 0.042 nan 8.290 nan 0.000 0.449 86 W N 0.686 121.930 121.300 -0.093 0.000 3.103 86 W HA 0.341 5.001 4.660 -0.000 0.000 0.325 86 W C 0.440 176.896 176.519 -0.106 0.000 1.170 86 W CA -0.868 56.409 57.345 -0.113 0.000 1.712 86 W CB -0.168 29.282 29.460 -0.016 0.000 1.068 86 W HN 0.069 nan 8.180 nan 0.000 0.592 87 N N 1.848 120.589 118.700 0.068 0.000 2.467 87 N HA 0.125 4.865 4.740 -0.000 0.000 0.262 87 N C -2.419 173.041 175.510 -0.082 0.000 1.234 87 N CA -1.001 52.058 53.050 0.015 0.000 0.952 87 N CB 0.024 38.516 38.487 0.008 0.000 1.158 87 N HN -0.390 nan 8.380 nan 0.000 0.463 88 P HA 0.011 nan 4.420 nan 0.000 0.262 88 P C 0.132 177.344 177.300 -0.147 0.000 1.182 88 P CA 0.152 63.167 63.100 -0.141 0.000 0.761 88 P CB 0.229 31.845 31.700 -0.140 0.000 0.795 89 N N 2.412 121.008 118.700 -0.174 0.000 2.234 89 N HA 0.103 4.843 4.740 -0.000 0.000 0.227 89 N C -0.024 175.408 175.510 -0.129 0.000 1.151 89 N CA -0.120 52.836 53.050 -0.157 0.000 0.865 89 N CB 0.372 38.747 38.487 -0.187 0.000 1.066 89 N HN 0.142 nan 8.380 nan 0.000 0.515 90 R N 0.070 120.493 120.500 -0.128 0.000 2.710 90 R HA 0.197 4.537 4.340 -0.000 0.000 0.270 90 R C -0.885 175.349 176.300 -0.110 0.000 1.021 90 R CA -0.631 55.409 56.100 -0.100 0.000 0.889 90 R CB 1.225 31.474 30.300 -0.086 0.000 1.243 90 R HN 0.343 nan 8.270 nan 0.000 0.464 91 E N 2.203 122.347 120.200 -0.094 0.000 2.708 91 E HA -0.087 4.263 4.350 -0.000 0.000 0.260 91 E C -0.519 175.999 176.600 -0.136 0.000 0.937 91 E CA 0.296 56.635 56.400 -0.102 0.000 0.953 91 E CB 0.470 30.125 29.700 -0.074 0.000 0.915 91 E HN 0.276 nan 8.360 nan 0.000 0.487 92 L N 3.791 124.891 121.223 -0.205 0.000 2.349 92 L HA 0.276 4.616 4.340 -0.000 0.000 0.275 92 L C 0.345 177.088 176.870 -0.212 0.000 1.115 92 L CA -0.087 54.552 54.840 -0.335 0.000 0.820 92 L CB 1.279 42.897 42.059 -0.736 0.000 1.135 92 L HN 0.445 nan 8.230 nan 0.000 0.445 93 S N 0.885 116.516 115.700 -0.115 0.000 2.547 93 S HA 0.213 4.682 4.470 -0.000 0.000 0.270 93 S C 0.360 174.954 174.600 -0.010 0.000 1.150 93 S CA -0.649 57.568 58.200 0.028 0.000 0.850 93 S CB 1.700 64.900 63.200 0.000 0.000 1.118 93 S HN 0.742 nan 8.310 nan 0.000 0.461 94 E N 0.908 121.068 120.200 -0.068 0.000 2.106 94 E HA -0.108 4.241 4.350 -0.000 0.000 0.192 94 E C -0.173 176.338 176.600 -0.149 0.000 0.984 94 E CA 0.706 56.967 56.400 -0.233 0.000 0.806 94 E CB 0.002 29.512 29.700 -0.317 0.000 0.750 94 E HN 0.578 nan 8.360 nan 0.000 0.458 95 D N 0.536 120.885 120.400 -0.085 0.000 2.441 95 D HA -0.043 4.597 4.640 -0.000 0.000 0.243 95 D C 0.057 176.376 176.300 0.032 0.000 1.257 95 D CA -0.067 53.902 54.000 -0.052 0.000 1.027 95 D CB -0.143 40.661 40.800 0.007 0.000 1.084 95 D HN 0.152 nan 8.370 nan 0.000 0.514 96 c N 2.576 121.137 118.600 -0.066 0.000 3.626 96 c HA 0.380 4.950 4.570 -0.000 0.000 0.276 96 c C 0.653 174.666 174.090 -0.128 0.000 1.694 96 c CA -0.720 55.629 56.329 0.032 0.000 1.785 96 c CB -1.289 41.219 42.510 -0.003 0.000 3.152 96 c HN 0.424 nan 8.230 nan 0.000 0.571 97 L N 2.687 123.574 121.223 -0.561 0.000 2.395 97 L HA 0.419 4.759 4.340 -0.000 0.000 0.268 97 L C -0.918 175.183 176.870 -1.281 0.000 1.223 97 L CA 0.474 54.816 54.840 -0.831 0.000 1.093 97 L CB -0.554 40.967 42.059 -0.897 0.000 1.349 97 L HN 0.384 nan 8.230 nan 0.000 0.427 98 Y N 1.818 122.058 120.300 -0.100 0.000 2.581 98 Y HA 0.659 5.209 4.550 -0.000 0.000 0.345 98 Y C -0.103 175.999 175.900 0.337 0.000 1.036 98 Y CA -1.250 56.887 58.100 0.062 0.000 1.042 98 Y CB 1.905 40.365 38.460 0.000 0.000 1.289 98 Y HN 0.198 nan 8.280 nan 0.000 0.471 99 L N -0.258 121.169 121.223 0.340 0.000 2.303 99 L HA 0.827 5.167 4.340 -0.000 0.000 0.256 99 L C -1.347 175.560 176.870 0.061 0.000 1.034 99 L CA -0.957 53.969 54.840 0.143 0.000 0.832 99 L CB 2.033 43.991 42.059 -0.169 0.000 1.403 99 L HN 0.484 nan 8.230 nan 0.000 0.419 100 N N 0.027 118.764 118.700 0.061 0.000 2.225 100 N HA 0.717 5.457 4.740 -0.000 0.000 0.298 100 N C -1.526 173.934 175.510 -0.083 0.000 1.076 100 N CA -0.423 52.582 53.050 -0.075 0.000 0.792 100 N CB 2.845 41.293 38.487 -0.066 0.000 1.498 100 N HN 0.518 nan 8.380 nan 0.000 0.474 101 V N 0.905 120.694 119.914 -0.208 0.000 2.656 101 V HA 0.530 4.650 4.120 -0.000 0.000 0.307 101 V C -0.873 175.229 176.094 0.013 0.000 1.051 101 V CA -0.753 61.522 62.300 -0.043 0.000 0.893 101 V CB 2.605 34.252 31.823 -0.293 0.000 0.999 101 V HN 0.569 nan 8.190 nan 0.000 0.426 102 W N 2.777 124.196 121.300 0.199 0.000 2.683 102 W HA 0.635 5.295 4.660 -0.000 0.000 0.329 102 W C 0.015 176.660 176.519 0.211 0.000 1.037 102 W CA -0.390 57.080 57.345 0.208 0.000 1.232 102 W CB 2.498 32.051 29.460 0.155 0.000 1.390 102 W HN 0.719 nan 8.180 nan 0.000 0.465 103 T N 0.783 115.607 114.554 0.451 0.000 2.887 103 T HA 0.651 5.001 4.350 -0.000 0.000 0.292 103 T C -2.832 172.043 174.700 0.292 0.000 1.087 103 T CA -2.415 59.890 62.100 0.343 0.000 1.009 103 T CB 2.600 71.678 68.868 0.350 0.000 1.203 103 T HN -0.080 nan 8.240 nan 0.000 0.518 104 P HA 0.309 nan 4.420 nan 0.000 0.274 104 P C -1.672 175.752 177.300 0.206 0.000 1.256 104 P CA -0.363 62.847 63.100 0.183 0.000 0.795 104 P CB 0.140 31.914 31.700 0.122 0.000 1.038 105 Y N 1.865 122.217 120.300 0.087 0.000 2.326 105 Y HA 0.424 4.974 4.550 -0.000 0.000 0.331 105 Y C -2.345 173.586 175.900 0.051 0.000 0.962 105 Y CA -2.557 55.587 58.100 0.073 0.000 1.167 105 Y CB 0.972 39.462 38.460 0.048 0.000 1.148 105 Y HN 0.299 nan 8.280 nan 0.000 0.463 106 P HA 0.248 nan 4.420 nan 0.000 0.274 106 P C -0.901 176.303 177.300 -0.160 0.000 1.256 106 P CA -0.465 62.359 63.100 -0.459 0.000 0.795 106 P CB 1.154 32.661 31.700 -0.321 0.000 1.038 107 R N 1.443 121.861 120.500 -0.137 0.000 2.538 107 R HA 0.109 4.449 4.340 -0.000 0.000 0.282 107 R C -1.471 174.824 176.300 -0.008 0.000 1.009 107 R CA -0.833 55.265 56.100 -0.004 0.000 1.063 107 R CB -0.656 29.649 30.300 0.009 0.000 0.945 107 R HN 0.471 nan 8.270 nan 0.000 0.414 108 P HA -0.132 nan 4.420 nan 0.000 0.264 108 P C -0.295 177.007 177.300 0.003 0.000 1.179 108 P CA 0.295 63.408 63.100 0.021 0.000 0.763 108 P CB 0.972 32.697 31.700 0.042 0.000 0.806 109 A N 3.102 125.921 122.820 -0.003 0.000 1.872 109 A HA -0.022 4.297 4.320 -0.000 0.000 0.214 109 A C 1.426 179.005 177.584 -0.008 0.000 1.187 109 A CA 1.343 53.374 52.037 -0.010 0.000 0.614 109 A CB -0.718 18.276 19.000 -0.010 0.000 0.826 109 A HN 0.635 nan 8.150 nan 0.000 0.442 110 S N 0.090 115.788 115.700 -0.003 0.000 2.541 110 S HA 0.528 4.998 4.470 -0.000 0.000 0.283 110 S C -2.948 171.653 174.600 0.001 0.000 1.196 110 S CA -1.751 56.446 58.200 -0.005 0.000 1.062 110 S CB 0.676 63.872 63.200 -0.006 0.000 1.009 110 S HN 0.070 nan 8.310 nan 0.000 0.502 111 P HA 0.107 nan 4.420 nan 0.000 0.261 111 P C -0.512 176.790 177.300 0.004 0.000 1.203 111 P CA 0.161 63.263 63.100 0.004 0.000 0.767 111 P CB 0.155 31.852 31.700 -0.006 0.000 0.785 112 T N 2.022 116.588 114.554 0.020 0.000 2.929 112 T HA 0.530 4.880 4.350 -0.000 0.000 0.284 112 T C -2.678 172.032 174.700 0.017 0.000 1.014 112 T CA -2.928 59.182 62.100 0.018 0.000 1.051 112 T CB 0.926 69.814 68.868 0.034 0.000 1.028 112 T HN -0.002 nan 8.240 nan 0.000 0.485 113 P HA 0.272 nan 4.420 nan 0.000 0.267 113 P C -0.624 176.690 177.300 0.023 0.000 1.205 113 P CA -0.416 62.678 63.100 -0.009 0.000 0.765 113 P CB 0.452 32.129 31.700 -0.039 0.000 0.828 114 V N 5.081 125.024 119.914 0.047 0.000 2.644 114 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 114 V C 0.417 176.555 176.094 0.073 0.000 1.053 114 V CA -0.378 61.972 62.300 0.083 0.000 0.987 114 V CB 1.014 32.907 31.823 0.118 0.000 1.006 114 V HN 0.383 nan 8.190 nan 0.000 0.472 115 L N 5.010 126.283 121.223 0.083 0.000 2.376 115 L HA 0.590 4.930 4.340 -0.000 0.000 0.275 115 L C -0.847 176.175 176.870 0.254 0.000 0.987 115 L CA -0.261 54.599 54.840 0.034 0.000 0.828 115 L CB 1.745 43.690 42.059 -0.189 0.000 1.249 115 L HN 0.499 nan 8.230 nan 0.000 0.409 116 I N 3.001 123.785 120.570 0.357 0.000 2.378 116 I HA 0.272 4.442 4.170 -0.000 0.000 0.291 116 I C -0.796 175.731 176.117 0.683 0.000 0.992 116 I CA -0.474 61.088 61.300 0.436 0.000 1.154 116 I CB 1.761 39.895 38.000 0.222 0.000 1.315 116 I HN 0.613 nan 8.210 nan 0.000 0.448 117 W N 8.457 129.994 121.300 0.395 0.000 2.391 117 W HA 0.573 5.233 4.660 -0.000 0.000 0.311 117 W C -1.653 174.838 176.519 -0.046 0.000 1.087 117 W CA -0.687 56.669 57.345 0.018 0.000 1.209 117 W CB 1.291 30.710 29.460 -0.068 0.000 1.273 117 W HN 0.345 nan 8.180 nan 0.000 0.482 118 I N 8.956 128.996 120.570 -0.883 0.000 2.354 118 I HA 0.097 4.267 4.170 -0.000 0.000 0.286 118 I C -0.174 175.199 176.117 -1.240 0.000 1.007 118 I CA -1.133 59.706 61.300 -0.768 0.000 1.167 118 I CB 0.651 38.347 38.000 -0.507 0.000 1.320 118 I HN 0.316 nan 8.210 nan 0.000 0.458 119 Y N 4.383 124.229 120.300 -0.756 0.000 2.426 119 Y HA 0.623 5.172 4.550 -0.000 0.000 0.344 119 Y C 0.976 176.665 175.900 -0.352 0.000 1.256 119 Y CA -0.688 57.022 58.100 -0.650 0.000 1.451 119 Y CB -0.110 38.191 38.460 -0.264 0.000 1.342 119 Y HN 0.593 nan 8.280 nan 0.000 0.600 120 G N -0.159 108.621 108.800 -0.034 0.000 2.580 120 G HA2 0.396 4.356 3.960 -0.000 0.000 0.225 120 G HA3 0.396 4.356 3.960 -0.000 0.000 0.225 120 G C 0.685 175.502 174.900 -0.139 0.000 1.521 120 G CA -0.665 44.348 45.100 -0.145 0.000 1.068 120 G HN 1.880 nan 8.290 nan 0.000 0.564 121 G N -2.499 106.088 108.800 -0.354 0.000 2.141 121 G HA2 0.310 4.270 3.960 -0.000 0.000 0.195 121 G HA3 0.310 4.270 3.960 -0.000 0.000 0.195 121 G C 1.285 175.686 174.900 -0.832 0.000 1.012 121 G CA 0.743 45.521 45.100 -0.536 0.000 0.696 121 G HN 2.354 nan 8.290 nan 0.000 0.508 122 G N -0.826 107.502 108.800 -0.786 0.000 2.321 122 G HA2 -0.085 3.875 3.960 -0.000 0.000 0.287 122 G HA3 -0.085 3.875 3.960 -0.000 0.000 0.287 122 G C 0.952 175.651 174.900 -0.336 0.000 1.018 122 G CA 0.920 45.419 45.100 -1.003 0.000 0.855 122 G HN 1.845 nan 8.290 nan 0.000 0.507 123 F N -3.601 116.300 119.950 -0.082 0.000 2.890 123 F HA -0.350 4.177 4.527 -0.000 0.000 0.346 123 F C 1.605 177.560 175.800 0.259 0.000 0.660 123 F CA 2.281 60.376 58.000 0.158 0.000 1.091 123 F CB -2.039 36.927 39.000 -0.056 0.000 1.535 123 F HN 0.843 nan 8.300 nan 0.000 0.314 124 Y N -0.754 119.645 120.300 0.166 0.000 2.444 124 Y HA 0.645 5.194 4.550 -0.000 0.000 0.249 124 Y C 0.701 176.735 175.900 0.224 0.000 1.134 124 Y CA 0.253 58.462 58.100 0.183 0.000 1.261 124 Y CB 0.006 38.482 38.460 0.027 0.000 1.143 124 Y HN 0.118 nan 8.280 nan 0.000 0.523 125 S N -1.028 114.473 115.700 -0.332 0.000 2.661 125 S HA 0.852 5.322 4.470 -0.000 0.000 0.268 125 S C -0.240 174.250 174.600 -0.183 0.000 1.162 125 S CA -0.431 57.635 58.200 -0.223 0.000 0.817 125 S CB 1.402 64.392 63.200 -0.350 0.000 1.141 125 S HN 1.361 nan 8.310 nan 0.000 0.477 126 G N -0.560 108.111 108.800 -0.215 0.000 2.440 126 G HA2 0.579 4.539 3.960 -0.000 0.000 0.684 126 G HA3 0.579 4.539 3.960 -0.000 0.000 0.684 126 G C -0.639 173.685 174.900 -0.959 0.000 1.309 126 G CA -0.230 44.607 45.100 -0.439 0.000 0.931 126 G HN 2.381 nan 8.290 nan 0.000 0.612 127 A N -1.456 120.573 122.820 -1.318 0.000 2.590 127 A HA 0.973 5.293 4.320 -0.000 0.000 0.294 127 A C 0.538 177.867 177.584 -0.424 0.000 1.046 127 A CA 0.802 52.273 52.037 -0.942 0.000 0.684 127 A CB 0.618 19.359 19.000 -0.431 0.000 1.279 127 A HN 2.586 nan 8.150 nan 0.000 0.415 128 A N 0.257 123.046 122.820 -0.052 0.000 2.169 128 A HA 0.260 4.580 4.320 -0.000 0.000 0.212 128 A C 1.756 179.323 177.584 -0.030 0.000 1.153 128 A CA 1.883 54.085 52.037 0.276 0.000 0.756 128 A CB -0.540 18.719 19.000 0.431 0.000 0.813 128 A HN 1.261 nan 8.150 nan 0.000 0.471 129 S N 0.365 115.812 115.700 -0.422 0.000 2.442 129 S HA 0.030 4.500 4.470 -0.000 0.000 0.236 129 S C 0.768 174.921 174.600 -0.745 0.000 1.007 129 S CA 0.162 57.709 58.200 -1.089 0.000 0.965 129 S CB -0.524 62.246 63.200 -0.717 0.000 0.773 129 S HN 0.533 nan 8.310 nan 0.000 0.504 130 L N 2.638 123.582 121.223 -0.464 0.000 2.525 130 L HA 0.009 4.349 4.340 -0.000 0.000 0.278 130 L C 1.007 177.556 176.870 -0.535 0.000 1.218 130 L CA -0.283 54.225 54.840 -0.552 0.000 0.878 130 L CB 0.092 41.651 42.059 -0.835 0.000 1.127 130 L HN 0.085 nan 8.230 nan 0.000 0.492 131 D N 1.432 121.556 120.400 -0.461 0.000 2.221 131 D HA -0.137 4.503 4.640 -0.000 0.000 0.204 131 D C 1.931 177.970 176.300 -0.435 0.000 0.982 131 D CA 1.050 54.851 54.000 -0.332 0.000 0.857 131 D CB -0.011 40.630 40.800 -0.264 0.000 0.934 131 D HN 0.542 nan 8.370 nan 0.000 0.475 132 V N -1.523 117.972 119.914 -0.697 0.000 3.041 132 V HA -0.119 4.001 4.120 -0.000 0.000 0.260 132 V C 0.817 176.325 176.094 -0.977 0.000 1.105 132 V CA 0.804 62.666 62.300 -0.730 0.000 1.125 132 V CB -1.096 30.272 31.823 -0.759 0.000 0.730 132 V HN 0.063 nan 8.190 nan 0.000 0.479 133 Y N 0.721 120.421 120.300 -1.000 0.000 2.801 133 Y HA 0.459 5.009 4.550 -0.000 0.000 0.340 133 Y C 0.610 175.974 175.900 -0.893 0.000 1.088 133 Y CA -1.970 55.182 58.100 -1.581 0.000 1.444 133 Y CB -1.057 36.888 38.460 -0.858 0.000 1.251 133 Y HN 0.215 nan 8.280 nan 0.000 0.522 134 D N 0.382 120.507 120.400 -0.458 0.000 2.336 134 D HA 0.119 4.759 4.640 -0.000 0.000 0.249 134 D C 1.361 177.450 176.300 -0.351 0.000 1.213 134 D CA 0.249 54.095 54.000 -0.256 0.000 0.870 134 D CB 1.617 42.447 40.800 0.049 0.000 1.076 134 D HN 0.539 nan 8.370 nan 0.000 0.483 135 G N 4.326 112.285 108.800 -1.403 0.000 2.443 135 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.219 135 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.219 135 G C 1.519 175.989 174.900 -0.717 0.000 1.131 135 G CA 0.533 44.920 45.100 -1.188 0.000 0.775 135 G HN 0.596 nan 8.290 nan 0.000 0.547 136 R N -0.074 119.937 120.500 -0.814 0.000 2.190 136 R HA -0.251 4.089 4.340 -0.000 0.000 0.255 136 R C 2.090 178.166 176.300 -0.374 0.000 1.143 136 R CA 2.254 58.122 56.100 -0.386 0.000 0.965 136 R CB -0.735 29.305 30.300 -0.433 0.000 0.889 136 R HN 0.400 nan 8.270 nan 0.000 0.448 137 F N 0.325 120.207 119.950 -0.113 0.000 2.163 137 F HA -0.066 4.461 4.527 -0.000 0.000 0.297 137 F C 2.317 178.065 175.800 -0.088 0.000 1.094 137 F CA 0.313 58.262 58.000 -0.085 0.000 1.290 137 F CB -0.667 38.271 39.000 -0.104 0.000 1.017 137 F HN 0.013 nan 8.300 nan 0.000 0.483 138 L N 0.553 121.817 121.223 0.068 0.000 2.046 138 L HA -0.112 4.228 4.340 -0.000 0.000 0.208 138 L C 2.504 179.375 176.870 0.002 0.000 1.077 138 L CA 1.789 56.616 54.840 -0.022 0.000 0.747 138 L CB -1.545 40.442 42.059 -0.119 0.000 0.896 138 L HN 0.134 nan 8.230 nan 0.000 0.432 139 A N -1.551 121.279 122.820 0.018 0.000 1.858 139 A HA -0.238 4.082 4.320 -0.000 0.000 0.216 139 A C 2.264 179.890 177.584 0.071 0.000 1.190 139 A CA 1.650 53.736 52.037 0.082 0.000 0.617 139 A CB -0.582 18.521 19.000 0.172 0.000 0.827 139 A HN 0.494 nan 8.150 nan 0.000 0.443 140 Q N -0.026 119.799 119.800 0.042 0.000 2.016 140 Q HA -0.101 4.239 4.340 -0.000 0.000 0.200 140 Q C 2.229 178.251 176.000 0.037 0.000 0.978 140 Q CA 2.144 57.970 55.803 0.038 0.000 0.833 140 Q CB -0.381 28.354 28.738 -0.004 0.000 0.895 140 Q HN 0.417 nan 8.270 nan 0.000 0.427 141 V N 1.301 121.235 119.914 0.034 0.000 2.379 141 V HA -0.145 3.975 4.120 -0.000 0.000 0.245 141 V C 1.853 177.957 176.094 0.017 0.000 1.044 141 V CA 1.767 64.085 62.300 0.029 0.000 1.036 141 V CB -0.274 31.567 31.823 0.031 0.000 0.664 141 V HN 0.257 nan 8.190 nan 0.000 0.453 142 E N -0.457 119.751 120.200 0.013 0.000 2.476 142 E HA 0.206 4.555 4.350 -0.000 0.000 0.199 142 E C 1.717 178.328 176.600 0.018 0.000 1.021 142 E CA 0.753 57.157 56.400 0.006 0.000 0.907 142 E CB 0.648 30.342 29.700 -0.010 0.000 0.974 142 E HN 0.612 nan 8.360 nan 0.000 0.489 143 G N 1.773 110.593 108.800 0.034 0.000 2.160 143 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.251 143 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.251 143 G C 0.534 175.467 174.900 0.055 0.000 1.008 143 G CA 0.407 45.536 45.100 0.049 0.000 0.724 143 G HN 0.487 nan 8.290 nan 0.000 0.514 144 A N -0.990 121.860 122.820 0.050 0.000 2.313 144 A HA 0.733 5.053 4.320 -0.000 0.000 0.261 144 A C 0.459 178.109 177.584 0.110 0.000 1.090 144 A CA 0.188 52.258 52.037 0.055 0.000 0.807 144 A CB 1.177 20.187 19.000 0.017 0.000 1.055 144 A HN 1.132 nan 8.150 nan 0.000 0.492 145 V N 1.891 121.877 119.914 0.118 0.000 2.328 145 V HA 0.337 4.457 4.120 -0.000 0.000 0.278 145 V C -0.317 175.893 176.094 0.192 0.000 1.021 145 V CA -0.079 62.324 62.300 0.172 0.000 0.838 145 V CB 0.729 32.642 31.823 0.149 0.000 0.999 145 V HN 0.681 nan 8.190 nan 0.000 0.447 146 L N 6.646 128.041 121.223 0.285 0.000 2.305 146 L HA 0.670 5.010 4.340 -0.000 0.000 0.284 146 L C -0.551 176.605 176.870 0.476 0.000 1.013 146 L CA -0.208 54.840 54.840 0.348 0.000 0.819 146 L CB 1.544 43.785 42.059 0.303 0.000 1.227 146 L HN 0.430 nan 8.230 nan 0.000 0.417 147 V N 3.081 123.232 119.914 0.395 0.000 2.732 147 V HA 0.775 4.895 4.120 -0.000 0.000 0.310 147 V C -0.216 176.146 176.094 0.446 0.000 1.053 147 V CA -0.436 62.073 62.300 0.349 0.000 0.957 147 V CB 1.849 33.798 31.823 0.209 0.000 1.018 147 V HN 0.837 nan 8.190 nan 0.000 0.452 148 S N 4.619 120.566 115.700 0.410 0.000 2.562 148 S HA 0.728 5.198 4.470 -0.000 0.000 0.274 148 S C -1.034 173.758 174.600 0.321 0.000 1.160 148 S CA -0.831 57.644 58.200 0.458 0.000 0.933 148 S CB 1.921 65.533 63.200 0.688 0.000 1.100 148 S HN 0.957 nan 8.310 nan 0.000 0.468 149 M N 1.608 121.352 119.600 0.240 0.000 2.761 149 M HA 0.714 5.194 4.480 -0.000 0.000 0.305 149 M C -1.586 174.941 176.300 0.378 0.000 1.235 149 M CA -0.559 54.867 55.300 0.210 0.000 0.850 149 M CB 0.786 33.319 32.600 -0.111 0.000 1.744 149 M HN 0.563 nan 8.290 nan 0.000 0.480 150 N N 1.537 120.500 118.700 0.438 0.000 2.430 150 N HA 0.657 5.397 4.740 -0.000 0.000 0.292 150 N C -1.621 174.124 175.510 0.392 0.000 1.051 150 N CA -0.014 53.304 53.050 0.446 0.000 0.917 150 N CB 0.921 39.592 38.487 0.306 0.000 1.164 150 N HN 0.692 nan 8.380 nan 0.000 0.484 151 Y N -1.472 118.982 120.300 0.257 0.000 2.512 151 Y HA 0.587 5.137 4.550 -0.000 0.000 0.348 151 Y C 0.144 176.133 175.900 0.147 0.000 0.990 151 Y CA -1.323 56.861 58.100 0.141 0.000 1.033 151 Y CB 0.914 39.384 38.460 0.016 0.000 1.259 151 Y HN 0.181 nan 8.280 nan 0.000 0.461 152 R N 1.651 122.270 120.500 0.199 0.000 2.640 152 R HA 0.437 4.777 4.340 -0.000 0.000 0.270 152 R C -0.344 176.066 176.300 0.184 0.000 1.024 152 R CA 0.094 56.264 56.100 0.116 0.000 1.085 152 R CB 0.649 30.977 30.300 0.046 0.000 0.963 152 R HN 0.734 nan 8.270 nan 0.000 0.426 153 V N -0.687 119.381 119.914 0.256 0.000 3.126 153 V HA 0.876 4.996 4.120 -0.000 0.000 0.314 153 V C 0.635 176.997 176.094 0.447 0.000 1.138 153 V CA -0.173 62.380 62.300 0.421 0.000 1.034 153 V CB 1.263 33.285 31.823 0.331 0.000 1.075 153 V HN 0.990 nan 8.190 nan 0.000 0.442 154 G N 2.042 111.153 108.800 0.518 0.000 2.574 154 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.282 154 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.282 154 G C 0.964 175.916 174.900 0.086 0.000 1.257 154 G CA 1.432 46.728 45.100 0.326 0.000 0.956 154 G HN 2.320 nan 8.290 nan 0.000 0.560 155 T N -1.378 112.944 114.554 -0.387 0.000 2.737 155 T HA -0.146 4.204 4.350 -0.000 0.000 0.269 155 T C 2.094 176.650 174.700 -0.239 0.000 1.040 155 T CA 2.591 64.277 62.100 -0.689 0.000 1.142 155 T CB -0.384 67.923 68.868 -0.934 0.000 0.861 155 T HN 0.531 nan 8.240 nan 0.000 0.456 156 F N 2.313 122.311 119.950 0.080 0.000 2.102 156 F HA 0.190 4.717 4.527 -0.000 0.000 0.298 156 F C 2.792 178.596 175.800 0.008 0.000 1.105 156 F CA 0.999 59.016 58.000 0.029 0.000 1.239 156 F CB -1.081 37.901 39.000 -0.030 0.000 0.991 156 F HN 0.369 nan 8.300 nan 0.000 0.474 157 G N -2.609 106.250 108.800 0.099 0.000 2.887 157 G HA2 0.041 4.001 3.960 -0.000 0.000 0.211 157 G HA3 0.041 4.001 3.960 -0.000 0.000 0.211 157 G C 0.843 175.356 174.900 -0.645 0.000 1.152 157 G CA 0.165 45.088 45.100 -0.295 0.000 0.769 157 G HN 0.316 nan 8.290 nan 0.000 0.541 158 F N -0.648 119.390 119.950 0.148 0.000 2.871 158 F HA 0.424 4.951 4.527 -0.000 0.000 0.344 158 F C 0.601 176.473 175.800 0.120 0.000 1.078 158 F CA -1.136 56.930 58.000 0.110 0.000 1.149 158 F CB 0.300 39.376 39.000 0.127 0.000 1.087 158 F HN -0.094 nan 8.300 nan 0.000 0.557 159 L N 2.094 123.407 121.223 0.151 0.000 2.534 159 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 159 L C 0.022 176.894 176.870 0.004 0.000 1.178 159 L CA 0.006 54.863 54.840 0.028 0.000 0.907 159 L CB 0.193 41.973 42.059 -0.465 0.000 1.164 159 L HN 0.126 nan 8.230 nan 0.000 0.482 160 A N 5.555 128.419 122.820 0.074 0.000 2.401 160 A HA 0.750 5.070 4.320 -0.000 0.000 0.310 160 A C -1.176 176.399 177.584 -0.015 0.000 1.075 160 A CA -0.590 51.457 52.037 0.016 0.000 0.746 160 A CB 1.563 20.594 19.000 0.050 0.000 1.277 160 A HN 0.593 nan 8.150 nan 0.000 0.425 161 L N 2.508 123.712 121.223 -0.032 0.000 2.529 161 L HA 0.363 4.703 4.340 -0.000 0.000 0.246 161 L C -2.542 174.322 176.870 -0.010 0.000 1.394 161 L CA -1.517 53.305 54.840 -0.030 0.000 0.906 161 L CB 0.970 42.999 42.059 -0.051 0.000 1.170 161 L HN 0.371 nan 8.230 nan 0.000 0.501 162 P HA 0.113 nan 4.420 nan 0.000 0.261 162 P C 0.991 178.295 177.300 0.007 0.000 1.158 162 P CA 1.444 64.548 63.100 0.006 0.000 0.758 162 P CB 0.546 32.246 31.700 0.001 0.000 0.763 163 G N 1.798 110.607 108.800 0.015 0.000 2.217 163 G HA2 -0.248 3.711 3.960 -0.000 0.000 0.246 163 G HA3 -0.248 3.711 3.960 -0.000 0.000 0.246 163 G C 0.419 175.328 174.900 0.016 0.000 0.990 163 G CA 0.262 45.371 45.100 0.015 0.000 0.627 163 G HN 0.799 nan 8.290 nan 0.000 0.522 164 S N -0.464 115.245 115.700 0.015 0.000 2.645 164 S HA 0.703 5.173 4.470 -0.000 0.000 0.266 164 S C 1.229 175.845 174.600 0.028 0.000 1.258 164 S CA 0.271 58.481 58.200 0.017 0.000 0.990 164 S CB 1.740 64.945 63.200 0.009 0.000 0.967 164 S HN 0.446 nan 8.310 nan 0.000 0.556 165 R N 0.780 121.299 120.500 0.031 0.000 2.075 165 R HA 0.030 4.370 4.340 -0.000 0.000 0.220 165 R C 2.120 178.452 176.300 0.053 0.000 1.118 165 R CA 1.032 57.157 56.100 0.040 0.000 0.986 165 R CB -0.287 30.034 30.300 0.036 0.000 0.884 165 R HN 0.852 nan 8.270 nan 0.000 0.439 166 E N 0.867 121.100 120.200 0.055 0.000 2.409 166 E HA -0.066 4.283 4.350 -0.000 0.000 0.198 166 E C 0.080 176.748 176.600 0.114 0.000 1.024 166 E CA 0.881 57.330 56.400 0.082 0.000 0.861 166 E CB 0.339 30.088 29.700 0.081 0.000 0.788 166 E HN 0.249 nan 8.360 nan 0.000 0.521 167 A N 1.945 124.806 122.820 0.068 0.000 3.399 167 A HA 0.276 4.596 4.320 -0.000 0.000 0.262 167 A C -2.077 175.525 177.584 0.031 0.000 1.145 167 A CA -0.819 51.249 52.037 0.052 0.000 0.916 167 A CB 0.807 19.754 19.000 -0.088 0.000 1.360 167 A HN -0.039 nan 8.150 nan 0.000 0.628 168 P HA 0.108 nan 4.420 nan 0.000 0.230 168 P C 0.956 178.290 177.300 0.057 0.000 1.158 168 P CA 1.811 64.942 63.100 0.052 0.000 0.769 168 P CB 0.124 31.863 31.700 0.065 0.000 0.807 169 G N 0.909 109.748 108.800 0.065 0.000 2.781 169 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.683 169 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.683 169 G C 0.072 175.020 174.900 0.079 0.000 1.390 169 G CA -0.199 44.950 45.100 0.082 0.000 0.850 169 G HN 0.173 nan 8.290 nan 0.000 0.557 170 N N -2.468 116.306 118.700 0.123 0.000 2.900 170 N HA -0.302 4.438 4.740 -0.000 0.000 0.240 170 N C 2.067 177.536 175.510 -0.069 0.000 0.953 170 N CA 2.600 55.683 53.050 0.056 0.000 0.950 170 N CB -1.577 36.871 38.487 -0.066 0.000 1.102 170 N HN 1.933 nan 8.380 nan 0.000 0.593 171 V N -2.308 117.558 119.914 -0.080 0.000 2.380 171 V HA -0.136 3.984 4.120 -0.000 0.000 0.251 171 V C 2.361 178.364 176.094 -0.152 0.000 1.063 171 V CA 2.578 64.835 62.300 -0.072 0.000 1.055 171 V CB -1.180 30.630 31.823 -0.021 0.000 0.657 171 V HN 0.297 nan 8.190 nan 0.000 0.455 172 G N -0.148 108.377 108.800 -0.457 0.000 2.448 172 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.219 172 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.219 172 G C 1.559 176.389 174.900 -0.115 0.000 1.127 172 G CA 1.046 45.931 45.100 -0.359 0.000 0.766 172 G HN 0.546 nan 8.290 nan 0.000 0.552 173 L N -0.223 120.921 121.223 -0.132 0.000 2.131 173 L HA 0.129 4.469 4.340 -0.000 0.000 0.206 173 L C 2.809 179.745 176.870 0.110 0.000 1.087 173 L CA 0.272 55.022 54.840 -0.151 0.000 0.767 173 L CB -0.193 41.447 42.059 -0.699 0.000 0.917 173 L HN 0.190 nan 8.230 nan 0.000 0.441 174 L N -0.626 120.674 121.223 0.129 0.000 2.046 174 L HA -0.230 4.110 4.340 -0.000 0.000 0.208 174 L C 2.203 179.200 176.870 0.212 0.000 1.077 174 L CA 1.035 56.022 54.840 0.245 0.000 0.747 174 L CB -0.732 41.443 42.059 0.192 0.000 0.896 174 L HN 0.286 nan 8.230 nan 0.000 0.432 175 D N 0.202 120.709 120.400 0.178 0.000 2.106 175 D HA -0.229 4.411 4.640 -0.000 0.000 0.191 175 D C 2.295 178.744 176.300 0.248 0.000 0.997 175 D CA 1.369 55.537 54.000 0.280 0.000 0.834 175 D CB -0.317 40.650 40.800 0.278 0.000 0.956 175 D HN 0.432 nan 8.370 nan 0.000 0.448 176 Q N 0.072 119.957 119.800 0.142 0.000 2.135 176 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 176 Q C 2.288 178.260 176.000 -0.047 0.000 0.981 176 Q CA 0.981 56.794 55.803 0.016 0.000 0.856 176 Q CB -0.101 28.653 28.738 0.027 0.000 0.902 176 Q HN 0.249 nan 8.270 nan 0.000 0.425 177 R N 1.020 121.576 120.500 0.095 0.000 2.066 177 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 177 R C 2.283 178.616 176.300 0.056 0.000 1.131 177 R CA 0.835 56.969 56.100 0.057 0.000 0.955 177 R CB -0.279 30.165 30.300 0.239 0.000 0.851 177 R HN 0.278 nan 8.270 nan 0.000 0.432 178 L N 0.530 121.832 121.223 0.132 0.000 2.081 178 L HA -0.191 4.149 4.340 -0.000 0.000 0.212 178 L C 2.419 179.340 176.870 0.086 0.000 1.080 178 L CA 1.614 56.566 54.840 0.187 0.000 0.754 178 L CB -0.446 41.809 42.059 0.327 0.000 0.893 178 L HN 0.403 nan 8.230 nan 0.000 0.433 179 A N -0.628 122.061 122.820 -0.218 0.000 1.930 179 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 179 A C 2.012 179.512 177.584 -0.140 0.000 1.175 179 A CA 1.279 52.967 52.037 -0.582 0.000 0.627 179 A CB -0.526 17.943 19.000 -0.884 0.000 0.815 179 A HN 0.361 nan 8.150 nan 0.000 0.443 180 L N -0.273 120.897 121.223 -0.088 0.000 2.141 180 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 180 L C 2.671 179.590 176.870 0.081 0.000 1.094 180 L CA 1.846 56.677 54.840 -0.016 0.000 0.763 180 L CB -0.614 41.381 42.059 -0.107 0.000 0.908 180 L HN 0.476 nan 8.230 nan 0.000 0.437 181 Q N -2.463 117.400 119.800 0.105 0.000 2.049 181 Q HA -0.243 4.097 4.340 -0.000 0.000 0.198 181 Q C 2.081 178.195 176.000 0.191 0.000 0.971 181 Q CA 1.825 57.706 55.803 0.131 0.000 0.833 181 Q CB -0.445 28.374 28.738 0.135 0.000 0.896 181 Q HN 0.581 nan 8.270 nan 0.000 0.434 182 W N 0.977 122.298 121.300 0.035 0.000 2.318 182 W HA -0.272 4.388 4.660 -0.000 0.000 0.313 182 W C 1.891 178.441 176.519 0.052 0.000 1.221 182 W CA 1.529 58.914 57.345 0.067 0.000 1.266 182 W CB -0.175 29.336 29.460 0.085 0.000 1.150 182 W HN -0.132 nan 8.180 nan 0.000 0.496 183 V N 0.693 120.930 119.914 0.539 0.000 2.469 183 V HA -0.360 3.760 4.120 -0.000 0.000 0.251 183 V C 2.268 178.436 176.094 0.122 0.000 1.064 183 V CA 2.301 64.816 62.300 0.359 0.000 1.066 183 V CB -1.194 30.788 31.823 0.266 0.000 0.667 183 V HN 0.281 nan 8.190 nan 0.000 0.461 184 Q N 0.324 120.184 119.800 0.100 0.000 2.050 184 Q HA -0.217 4.123 4.340 -0.000 0.000 0.202 184 Q C 2.193 178.189 176.000 -0.006 0.000 0.980 184 Q CA 2.383 58.221 55.803 0.057 0.000 0.840 184 Q CB -0.241 28.534 28.738 0.062 0.000 0.898 184 Q HN 0.759 nan 8.270 nan 0.000 0.424 185 E N -0.743 119.418 120.200 -0.066 0.000 2.005 185 E HA -0.109 4.241 4.350 -0.000 0.000 0.191 185 E C 1.446 177.926 176.600 -0.200 0.000 0.987 185 E CA 1.040 57.363 56.400 -0.129 0.000 0.814 185 E CB -0.116 29.487 29.700 -0.161 0.000 0.772 185 E HN 0.435 nan 8.360 nan 0.000 0.453 186 N N 0.721 119.175 118.700 -0.409 0.000 2.512 186 N HA -0.115 4.625 4.740 -0.000 0.000 0.183 186 N C 1.781 177.200 175.510 -0.151 0.000 1.073 186 N CA 0.392 53.162 53.050 -0.466 0.000 0.911 186 N CB 0.013 37.826 38.487 -1.123 0.000 0.964 186 N HN 0.217 nan 8.380 nan 0.000 0.447 187 I N 1.742 122.281 120.570 -0.051 0.000 2.614 187 I HA -0.126 4.044 4.170 -0.000 0.000 0.258 187 I C 2.140 178.363 176.117 0.176 0.000 1.189 187 I CA 0.257 61.646 61.300 0.149 0.000 1.462 187 I CB -0.209 37.867 38.000 0.128 0.000 1.092 187 I HN 0.032 nan 8.210 nan 0.000 0.442 188 A N 0.319 123.174 122.820 0.059 0.000 1.933 188 A HA -0.095 4.225 4.320 -0.000 0.000 0.218 188 A C 2.480 180.061 177.584 -0.006 0.000 1.175 188 A CA 1.450 53.501 52.037 0.023 0.000 0.628 188 A CB -1.070 17.918 19.000 -0.019 0.000 0.814 188 A HN 0.458 nan 8.150 nan 0.000 0.444 189 A N -1.538 121.246 122.820 -0.060 0.000 2.131 189 A HA 0.030 4.350 4.320 -0.000 0.000 0.220 189 A C 1.579 178.912 177.584 -0.419 0.000 1.158 189 A CA 1.365 53.245 52.037 -0.263 0.000 0.665 189 A CB -0.653 18.102 19.000 -0.408 0.000 0.795 189 A HN 0.508 nan 8.150 nan 0.000 0.460 190 F N -1.863 118.011 119.950 -0.128 0.000 2.721 190 F HA 0.394 4.921 4.527 -0.000 0.000 0.301 190 F C 1.779 177.544 175.800 -0.058 0.000 1.096 190 F CA 0.497 58.410 58.000 -0.145 0.000 1.308 190 F CB 0.392 39.298 39.000 -0.157 0.000 1.086 190 F HN 0.319 nan 8.300 nan 0.000 0.587 191 G N 0.116 108.983 108.800 0.111 0.000 2.168 191 G HA2 -0.119 3.841 3.960 -0.000 0.000 0.197 191 G HA3 -0.119 3.841 3.960 -0.000 0.000 0.197 191 G C 0.553 175.505 174.900 0.087 0.000 0.997 191 G CA -0.400 44.743 45.100 0.072 0.000 0.658 191 G HN 0.679 nan 8.290 nan 0.000 0.513 192 G N -0.371 108.502 108.800 0.122 0.000 2.476 192 G HA2 0.485 4.445 3.960 -0.000 0.000 0.269 192 G HA3 0.485 4.445 3.960 -0.000 0.000 0.269 192 G C -0.792 174.147 174.900 0.064 0.000 1.195 192 G CA 0.246 45.407 45.100 0.101 0.000 0.843 192 G HN 0.216 nan 8.290 nan 0.000 0.545 193 D N 1.385 121.812 120.400 0.044 0.000 2.412 193 D HA 0.348 4.988 4.640 -0.000 0.000 0.224 193 D C -1.503 174.815 176.300 0.030 0.000 1.093 193 D CA -2.324 51.686 54.000 0.017 0.000 0.850 193 D CB 1.861 42.651 40.800 -0.016 0.000 1.046 193 D HN -0.037 nan 8.370 nan 0.000 0.507 194 P HA -0.066 nan 4.420 nan 0.000 0.221 194 P C 0.917 178.302 177.300 0.141 0.000 1.145 194 P CA 1.086 64.239 63.100 0.089 0.000 0.795 194 P CB 0.102 31.838 31.700 0.061 0.000 0.775 195 M N -2.160 117.446 119.600 0.011 0.000 2.551 195 M HA 0.135 4.615 4.480 -0.000 0.000 0.252 195 M C 0.661 176.591 176.300 -0.617 0.000 1.219 195 M CA 0.502 55.690 55.300 -0.187 0.000 0.978 195 M CB 0.100 32.613 32.600 -0.145 0.000 1.533 195 M HN -0.243 nan 8.290 nan 0.000 0.474 196 S N 0.361 115.885 115.700 -0.293 0.000 2.801 196 S HA 0.241 4.711 4.470 -0.000 0.000 0.236 196 S C -0.437 174.176 174.600 0.021 0.000 0.852 196 S CA -0.438 57.614 58.200 -0.246 0.000 1.089 196 S CB 0.312 63.411 63.200 -0.169 0.000 1.376 196 S HN 0.067 nan 8.310 nan 0.000 0.470 197 V N 2.434 122.508 119.914 0.267 0.000 2.530 197 V HA 0.444 4.564 4.120 -0.000 0.000 0.282 197 V C 0.355 176.627 176.094 0.296 0.000 1.048 197 V CA 0.194 62.662 62.300 0.281 0.000 0.997 197 V CB 1.377 33.388 31.823 0.313 0.000 0.987 197 V HN 0.494 nan 8.190 nan 0.000 0.477 198 T N 6.579 121.249 114.554 0.192 0.000 2.847 198 T HA 0.535 4.885 4.350 -0.000 0.000 0.291 198 T C -0.354 174.464 174.700 0.197 0.000 0.998 198 T CA -0.382 61.828 62.100 0.184 0.000 0.967 198 T CB 0.794 69.701 68.868 0.064 0.000 0.954 198 T HN 0.356 nan 8.240 nan 0.000 0.441 199 L N 4.545 125.890 121.223 0.204 0.000 2.375 199 L HA 0.733 5.073 4.340 -0.000 0.000 0.271 199 L C -0.468 176.628 176.870 0.378 0.000 1.107 199 L CA -0.844 54.106 54.840 0.184 0.000 0.806 199 L CB 0.446 42.422 42.059 -0.139 0.000 1.146 199 L HN 0.619 nan 8.230 nan 0.000 0.447 200 F N 0.260 120.273 119.950 0.106 0.000 2.615 200 F HA 0.901 5.428 4.527 -0.000 0.000 0.312 200 F C -0.447 175.320 175.800 -0.055 0.000 1.119 200 F CA -1.521 56.582 58.000 0.172 0.000 0.979 200 F CB 1.117 40.361 39.000 0.406 0.000 1.266 200 F HN 0.470 nan 8.300 nan 0.000 0.444 201 G N 1.385 110.037 108.800 -0.247 0.000 2.727 201 G HA2 0.592 4.552 3.960 -0.000 0.000 0.289 201 G HA3 0.592 4.552 3.960 -0.000 0.000 0.289 201 G C -2.252 172.417 174.900 -0.385 0.000 1.418 201 G CA -0.788 43.853 45.100 -0.766 0.000 0.818 201 G HN 0.827 nan 8.290 nan 0.000 0.486 202 E N -0.297 119.649 120.200 -0.424 0.000 2.343 202 E HA 0.547 4.897 4.350 -0.000 0.000 0.278 202 E C 0.323 176.840 176.600 -0.138 0.000 0.910 202 E CA 0.148 56.481 56.400 -0.111 0.000 0.757 202 E CB 2.365 32.090 29.700 0.041 0.000 1.218 202 E HN 0.845 nan 8.360 nan 0.000 0.435 203 S N 2.287 117.988 115.700 0.002 0.000 3.938 203 S HA -0.394 4.076 4.470 -0.000 0.000 0.624 203 S C 1.468 176.132 174.600 0.107 0.000 2.186 203 S CA 2.166 60.429 58.200 0.105 0.000 4.144 203 S CB -1.467 61.683 63.200 -0.083 0.000 0.230 203 S HN 1.046 nan 8.310 nan 0.000 0.755 204 A N 0.909 123.665 122.820 -0.106 0.000 2.084 204 A HA 0.058 4.378 4.320 -0.000 0.000 0.221 204 A C 2.452 179.808 177.584 -0.379 0.000 1.161 204 A CA 2.635 54.441 52.037 -0.385 0.000 0.653 204 A CB -1.668 16.659 19.000 -1.122 0.000 0.802 204 A HN 1.609 nan 8.150 nan 0.000 0.457 205 G N -0.656 107.957 108.800 -0.311 0.000 2.414 205 G HA2 0.046 4.005 3.960 -0.000 0.000 0.215 205 G HA3 0.046 4.005 3.960 -0.000 0.000 0.215 205 G C 1.750 176.490 174.900 -0.267 0.000 1.188 205 G CA 1.207 46.072 45.100 -0.391 0.000 0.783 205 G HN 0.809 nan 8.290 nan 0.000 0.537 206 A N 1.045 123.775 122.820 -0.151 0.000 1.972 206 A HA 0.307 4.627 4.320 -0.000 0.000 0.219 206 A C 2.764 180.340 177.584 -0.014 0.000 1.169 206 A CA 2.092 54.101 52.037 -0.047 0.000 0.635 206 A CB -0.646 18.379 19.000 0.042 0.000 0.810 206 A HN 0.729 nan 8.150 nan 0.000 0.446 207 A N -0.384 122.460 122.820 0.041 0.000 1.877 207 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 207 A C 2.456 180.034 177.584 -0.009 0.000 1.186 207 A CA 2.087 54.142 52.037 0.031 0.000 0.620 207 A CB -0.985 18.114 19.000 0.166 0.000 0.822 207 A HN 0.448 nan 8.150 nan 0.000 0.443 208 S N -0.422 115.275 115.700 -0.006 0.000 2.359 208 S HA -0.165 4.305 4.470 -0.000 0.000 0.224 208 S C 1.924 176.429 174.600 -0.159 0.000 1.035 208 S CA 1.486 59.613 58.200 -0.122 0.000 1.018 208 S CB -0.638 62.438 63.200 -0.206 0.000 0.876 208 S HN 0.340 nan 8.310 nan 0.000 0.448 209 V N 1.732 121.592 119.914 -0.090 0.000 2.231 209 V HA -0.237 3.883 4.120 -0.000 0.000 0.248 209 V C 2.676 178.742 176.094 -0.047 0.000 1.054 209 V CA 2.133 64.399 62.300 -0.056 0.000 1.015 209 V CB -1.623 30.163 31.823 -0.062 0.000 0.638 209 V HN 0.606 nan 8.190 nan 0.000 0.444 210 G N -1.027 107.744 108.800 -0.048 0.000 2.505 210 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.220 210 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.220 210 G C 1.564 176.451 174.900 -0.021 0.000 1.145 210 G CA 1.576 46.652 45.100 -0.040 0.000 0.761 210 G HN 0.414 nan 8.290 nan 0.000 0.571 211 M N 0.023 119.581 119.600 -0.069 0.000 2.149 211 M HA -0.017 4.463 4.480 -0.000 0.000 0.261 211 M C 2.175 178.529 176.300 0.090 0.000 1.064 211 M CA 1.066 56.360 55.300 -0.009 0.000 1.102 211 M CB -0.332 32.190 32.600 -0.130 0.000 1.369 211 M HN 0.262 nan 8.290 nan 0.000 0.408 212 H N -1.025 118.138 119.070 0.156 0.000 2.495 212 H HA 0.073 4.629 4.556 -0.000 0.000 0.287 212 H C 2.101 177.582 175.328 0.255 0.000 1.033 212 H CA 1.263 57.398 56.048 0.144 0.000 1.307 212 H CB -0.207 29.498 29.762 -0.095 0.000 1.401 212 H HN 0.408 nan 8.280 nan 0.000 0.555 213 I N 0.078 120.839 120.570 0.317 0.000 2.406 213 I HA -0.182 3.988 4.170 -0.000 0.000 0.249 213 I C 1.276 177.535 176.117 0.236 0.000 1.122 213 I CA 0.551 62.061 61.300 0.349 0.000 1.431 213 I CB 0.104 38.204 38.000 0.167 0.000 1.087 213 I HN 0.098 nan 8.210 nan 0.000 0.424 214 L N -0.203 121.120 121.223 0.168 0.000 2.591 214 L HA 0.148 4.487 4.340 -0.000 0.000 0.228 214 L C 0.911 177.833 176.870 0.086 0.000 1.133 214 L CA 0.730 55.660 54.840 0.150 0.000 0.880 214 L CB -0.553 41.573 42.059 0.112 0.000 1.033 214 L HN -0.046 nan 8.230 nan 0.000 0.450 215 S N -0.260 115.465 115.700 0.041 0.000 2.530 215 S HA 0.262 4.732 4.470 -0.000 0.000 0.322 215 S C 1.104 175.652 174.600 -0.087 0.000 1.085 215 S CA -0.557 57.550 58.200 -0.156 0.000 1.096 215 S CB 0.706 63.525 63.200 -0.636 0.000 0.988 215 S HN 0.137 nan 8.310 nan 0.000 0.466 216 L N 6.788 127.962 121.223 -0.083 0.000 1.978 216 L HA -0.032 4.308 4.340 -0.000 0.000 0.218 216 L C -0.972 175.869 176.870 -0.048 0.000 1.075 216 L CA 2.637 57.448 54.840 -0.048 0.000 0.767 216 L CB -2.152 39.877 42.059 -0.051 0.000 0.890 216 L HN 0.504 nan 8.230 nan 0.000 0.434 217 P HA -0.120 nan 4.420 nan 0.000 0.214 217 P C 1.930 179.231 177.300 0.001 0.000 1.163 217 P CA 1.804 64.875 63.100 -0.049 0.000 0.889 217 P CB -0.009 31.646 31.700 -0.075 0.000 0.790 218 S N -1.012 114.702 115.700 0.024 0.000 2.419 218 S HA -0.150 4.320 4.470 -0.000 0.000 0.235 218 S C 1.912 176.692 174.600 0.299 0.000 1.019 218 S CA 0.844 59.151 58.200 0.178 0.000 0.982 218 S CB -0.624 62.795 63.200 0.366 0.000 0.789 218 S HN 0.155 nan 8.310 nan 0.000 0.490 219 R N 1.348 121.941 120.500 0.155 0.000 2.189 219 R HA -0.038 4.302 4.340 -0.000 0.000 0.223 219 R C 1.531 177.665 176.300 -0.278 0.000 1.092 219 R CA 1.344 57.423 56.100 -0.035 0.000 0.989 219 R CB -0.175 30.100 30.300 -0.042 0.000 0.876 219 R HN 0.480 nan 8.270 nan 0.000 0.457 220 S N -0.580 115.041 115.700 -0.131 0.000 2.679 220 S HA 0.154 4.624 4.470 -0.000 0.000 0.233 220 S C 1.012 175.533 174.600 -0.132 0.000 0.951 220 S CA -0.258 57.844 58.200 -0.164 0.000 0.973 220 S CB 0.142 63.292 63.200 -0.084 0.000 0.778 220 S HN 0.212 nan 8.310 nan 0.000 0.477 221 L N 0.513 121.695 121.223 -0.069 0.000 3.016 221 L HA 0.537 4.877 4.340 -0.000 0.000 0.267 221 L C -0.329 176.623 176.870 0.137 0.000 1.182 221 L CA -0.461 54.408 54.840 0.050 0.000 0.997 221 L CB 0.183 42.312 42.059 0.118 0.000 1.354 221 L HN 0.514 nan 8.230 nan 0.000 0.569 222 F N -3.806 115.967 119.950 -0.296 0.000 2.817 222 F HA 0.469 4.996 4.527 -0.000 0.000 0.317 222 F C 0.155 175.622 175.800 -0.556 0.000 1.168 222 F CA -0.997 56.836 58.000 -0.278 0.000 0.911 222 F CB 0.805 39.770 39.000 -0.059 0.000 1.337 222 F HN -0.123 nan 8.300 nan 0.000 0.464 223 H N -1.022 118.027 119.070 -0.034 0.000 3.436 223 H HA 0.424 4.980 4.556 -0.000 0.000 0.244 223 H C -0.087 175.227 175.328 -0.024 0.000 1.009 223 H CA -0.187 55.776 56.048 -0.143 0.000 1.129 223 H CB 1.161 30.870 29.762 -0.087 0.000 1.473 223 H HN 0.374 nan 8.280 nan 0.000 0.510 224 R N 0.578 121.240 120.500 0.271 0.000 2.888 224 R HA 0.778 5.118 4.340 -0.000 0.000 0.264 224 R C -1.236 175.318 176.300 0.424 0.000 1.045 224 R CA -0.705 55.528 56.100 0.223 0.000 0.962 224 R CB 2.861 33.089 30.300 -0.120 0.000 1.210 224 R HN 0.147 nan 8.270 nan 0.000 0.479 225 A N 0.651 123.737 122.820 0.444 0.000 2.589 225 A HA 0.613 4.933 4.320 -0.000 0.000 0.296 225 A C -1.606 176.159 177.584 0.302 0.000 1.062 225 A CA -0.592 51.656 52.037 0.353 0.000 0.686 225 A CB 1.870 21.037 19.000 0.279 0.000 1.282 225 A HN 0.303 nan 8.150 nan 0.000 0.404 226 V N 1.574 121.623 119.914 0.225 0.000 2.483 226 V HA 0.537 4.657 4.120 -0.000 0.000 0.297 226 V C -1.177 175.021 176.094 0.173 0.000 1.027 226 V CA -0.307 62.067 62.300 0.124 0.000 0.855 226 V CB 1.268 33.181 31.823 0.149 0.000 0.995 226 V HN 0.673 nan 8.190 nan 0.000 0.424 227 L N 5.060 126.357 121.223 0.124 0.000 2.318 227 L HA 0.524 4.864 4.340 -0.000 0.000 0.277 227 L C 0.043 177.020 176.870 0.177 0.000 1.008 227 L CA 0.031 54.938 54.840 0.113 0.000 0.846 227 L CB 1.418 43.503 42.059 0.044 0.000 1.220 227 L HN 0.628 nan 8.230 nan 0.000 0.423 228 Q N 1.879 121.827 119.800 0.246 0.000 2.331 228 Q HA 0.416 4.756 4.340 -0.000 0.000 0.257 228 Q C 0.157 176.293 176.000 0.225 0.000 0.957 228 Q CA -0.558 55.448 55.803 0.340 0.000 0.923 228 Q CB 1.296 30.307 28.738 0.455 0.000 1.212 228 Q HN 0.615 nan 8.270 nan 0.000 0.443 229 S N 1.182 117.006 115.700 0.207 0.000 3.477 229 S HA -0.163 4.307 4.470 -0.000 0.000 0.371 229 S C 0.068 174.856 174.600 0.314 0.000 0.965 229 S CA 0.480 58.828 58.200 0.247 0.000 1.239 229 S CB -1.264 62.124 63.200 0.313 0.000 0.918 229 S HN 0.998 nan 8.310 nan 0.000 0.498 230 G N -0.419 108.524 108.800 0.239 0.000 2.411 230 G HA2 0.658 4.618 3.960 -0.000 0.000 0.295 230 G HA3 0.658 4.618 3.960 -0.000 0.000 0.295 230 G C -0.912 174.074 174.900 0.143 0.000 1.542 230 G CA 0.131 45.428 45.100 0.328 0.000 0.814 230 G HN 1.064 nan 8.290 nan 0.000 0.557 231 T N -1.615 112.974 114.554 0.057 0.000 2.853 231 T HA 0.750 5.100 4.350 -0.000 0.000 0.311 231 T C -2.442 172.121 174.700 -0.228 0.000 1.307 231 T CA -1.108 60.935 62.100 -0.095 0.000 1.019 231 T CB 2.957 71.745 68.868 -0.132 0.000 1.264 231 T HN 0.323 nan 8.240 nan 0.000 0.497 232 P HA 0.018 nan 4.420 nan 0.000 0.221 232 P C 0.217 177.345 177.300 -0.287 0.000 1.155 232 P CA 0.565 63.532 63.100 -0.222 0.000 0.812 232 P CB -0.010 31.611 31.700 -0.132 0.000 0.801 233 N N 0.672 119.224 118.700 -0.247 0.000 2.379 233 N HA 0.329 5.069 4.740 -0.000 0.000 0.260 233 N C 0.643 175.935 175.510 -0.365 0.000 1.254 233 N CA 0.421 53.322 53.050 -0.247 0.000 0.958 233 N CB 0.559 38.949 38.487 -0.162 0.000 1.208 233 N HN 0.169 nan 8.380 nan 0.000 0.532 234 G N -0.817 107.778 108.800 -0.342 0.000 2.497 234 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.686 234 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.686 234 G C -2.077 172.541 174.900 -0.469 0.000 1.288 234 G CA -0.268 44.570 45.100 -0.437 0.000 0.899 234 G HN 0.503 nan 8.290 nan 0.000 0.608 235 P HA 0.003 nan 4.420 nan 0.000 0.221 235 P C 1.538 178.689 177.300 -0.249 0.000 1.150 235 P CA 2.355 65.260 63.100 -0.325 0.000 0.800 235 P CB -0.045 31.427 31.700 -0.380 0.000 0.787 236 W N -1.076 120.051 121.300 -0.288 0.000 2.842 236 W HA 0.523 5.183 4.660 -0.000 0.000 0.267 236 W C 1.482 178.005 176.519 0.007 0.000 1.219 236 W CA 0.433 57.679 57.345 -0.166 0.000 1.458 236 W CB -1.041 28.313 29.460 -0.176 0.000 1.006 236 W HN -0.157 nan 8.180 nan 0.000 0.603 237 A N 1.978 124.210 122.820 -0.980 0.000 2.125 237 A HA 0.050 4.370 4.320 -0.000 0.000 0.219 237 A C 1.027 178.364 177.584 -0.412 0.000 1.156 237 A CA 1.952 53.569 52.037 -0.700 0.000 0.671 237 A CB -0.932 17.456 19.000 -1.020 0.000 0.794 237 A HN 0.304 nan 8.150 nan 0.000 0.459 238 T N -3.447 110.901 114.554 -0.343 0.000 2.843 238 T HA 0.580 4.930 4.350 -0.000 0.000 0.302 238 T C -0.727 173.846 174.700 -0.212 0.000 1.232 238 T CA -0.125 61.796 62.100 -0.298 0.000 1.009 238 T CB 1.454 70.162 68.868 -0.268 0.000 1.254 238 T HN 1.009 nan 8.240 nan 0.000 0.504 239 V N -1.488 118.313 119.914 -0.188 0.000 3.007 239 V HA 0.918 5.038 4.120 -0.000 0.000 0.311 239 V C 0.276 176.301 176.094 -0.115 0.000 1.120 239 V CA -0.767 61.448 62.300 -0.143 0.000 0.980 239 V CB 1.457 33.195 31.823 -0.142 0.000 1.033 239 V HN 1.429 nan 8.190 nan 0.000 0.429 240 S N 2.308 117.951 115.700 -0.095 0.000 2.580 240 S HA 0.507 4.977 4.470 -0.000 0.000 0.266 240 S C 1.347 175.908 174.600 -0.064 0.000 1.354 240 S CA 0.219 58.375 58.200 -0.073 0.000 1.008 240 S CB 1.145 64.307 63.200 -0.063 0.000 0.898 240 S HN 2.090 nan 8.310 nan 0.000 0.555 241 A N 1.990 124.781 122.820 -0.048 0.000 2.014 241 A HA 0.228 4.548 4.320 -0.000 0.000 0.218 241 A C 2.121 179.684 177.584 -0.035 0.000 1.163 241 A CA 1.230 53.246 52.037 -0.035 0.000 0.652 241 A CB -1.559 17.428 19.000 -0.023 0.000 0.808 241 A HN 1.103 nan 8.150 nan 0.000 0.449 242 G N -0.282 108.495 108.800 -0.038 0.000 2.394 242 G HA2 -0.158 3.801 3.960 -0.000 0.000 0.215 242 G HA3 -0.158 3.801 3.960 -0.000 0.000 0.215 242 G C 1.459 176.332 174.900 -0.045 0.000 1.165 242 G CA 1.216 46.294 45.100 -0.036 0.000 0.784 242 G HN 0.535 nan 8.290 nan 0.000 0.535 243 E N 1.329 121.494 120.200 -0.058 0.000 2.031 243 E HA 0.015 4.365 4.350 -0.000 0.000 0.193 243 E C 2.713 179.258 176.600 -0.092 0.000 0.994 243 E CA 1.564 57.917 56.400 -0.077 0.000 0.800 243 E CB -0.766 28.881 29.700 -0.089 0.000 0.752 243 E HN 0.232 nan 8.360 nan 0.000 0.447 244 A N 1.109 123.877 122.820 -0.086 0.000 1.927 244 A HA -0.290 4.030 4.320 -0.000 0.000 0.220 244 A C 2.348 179.907 177.584 -0.041 0.000 1.185 244 A CA 2.264 54.256 52.037 -0.075 0.000 0.639 244 A CB -0.758 18.216 19.000 -0.043 0.000 0.820 244 A HN 0.333 nan 8.150 nan 0.000 0.451 245 R N -0.937 119.542 120.500 -0.034 0.000 2.119 245 R HA -0.036 4.304 4.340 -0.000 0.000 0.222 245 R C 2.408 178.694 176.300 -0.024 0.000 1.088 245 R CA 1.032 57.119 56.100 -0.022 0.000 0.984 245 R CB -0.311 29.977 30.300 -0.020 0.000 0.884 245 R HN 0.512 nan 8.270 nan 0.000 0.447 246 R N 0.748 121.225 120.500 -0.039 0.000 2.080 246 R HA -0.135 4.205 4.340 -0.000 0.000 0.236 246 R C 2.216 178.494 176.300 -0.036 0.000 1.137 246 R CA 1.919 57.997 56.100 -0.036 0.000 0.943 246 R CB -0.129 30.143 30.300 -0.046 0.000 0.846 246 R HN 0.284 nan 8.270 nan 0.000 0.431 247 R N -0.183 120.271 120.500 -0.076 0.000 2.073 247 R HA -0.094 4.246 4.340 -0.000 0.000 0.234 247 R C 2.386 178.707 176.300 0.035 0.000 1.134 247 R CA 1.427 57.461 56.100 -0.109 0.000 0.952 247 R CB -0.492 29.597 30.300 -0.353 0.000 0.850 247 R HN 0.250 nan 8.270 nan 0.000 0.433 248 A N 0.754 123.627 122.820 0.087 0.000 1.908 248 A HA -0.164 4.156 4.320 -0.000 0.000 0.218 248 A C 2.180 179.796 177.584 0.053 0.000 1.181 248 A CA 2.054 54.182 52.037 0.152 0.000 0.627 248 A CB -0.806 18.236 19.000 0.069 0.000 0.818 248 A HN 0.331 nan 8.150 nan 0.000 0.445 249 T N -0.170 114.398 114.554 0.023 0.000 2.904 249 T HA -0.054 4.296 4.350 -0.000 0.000 0.267 249 T C 1.798 176.515 174.700 0.028 0.000 1.059 249 T CA 1.242 63.349 62.100 0.011 0.000 1.137 249 T CB -0.275 68.594 68.868 0.002 0.000 0.879 249 T HN 0.319 nan 8.240 nan 0.000 0.467 250 L N 1.521 122.767 121.223 0.038 0.000 1.988 250 L HA 0.147 4.486 4.340 -0.000 0.000 0.207 250 L C 2.240 179.158 176.870 0.080 0.000 1.071 250 L CA 1.513 56.382 54.840 0.049 0.000 0.744 250 L CB -1.062 41.020 42.059 0.039 0.000 0.893 250 L HN 0.230 nan 8.230 nan 0.000 0.433 251 L N -0.253 121.043 121.223 0.121 0.000 2.081 251 L HA -0.202 4.138 4.340 -0.000 0.000 0.212 251 L C 2.454 179.385 176.870 0.101 0.000 1.080 251 L CA 1.901 56.832 54.840 0.152 0.000 0.754 251 L CB -0.589 41.617 42.059 0.245 0.000 0.893 251 L HN 0.367 nan 8.230 nan 0.000 0.433 252 A N -0.350 122.504 122.820 0.057 0.000 1.933 252 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 252 A C 2.501 180.117 177.584 0.054 0.000 1.175 252 A CA 1.781 53.837 52.037 0.032 0.000 0.628 252 A CB -0.666 18.334 19.000 0.001 0.000 0.814 252 A HN 0.516 nan 8.150 nan 0.000 0.444 253 R N -0.298 120.236 120.500 0.057 0.000 2.073 253 R HA 0.011 4.350 4.340 -0.000 0.000 0.229 253 R C 1.915 178.262 176.300 0.079 0.000 1.120 253 R CA 1.195 57.329 56.100 0.056 0.000 0.967 253 R CB -0.404 29.922 30.300 0.044 0.000 0.862 253 R HN 0.559 nan 8.270 nan 0.000 0.436 254 L N 1.110 122.393 121.223 0.100 0.000 2.261 254 L HA -0.108 4.232 4.340 -0.000 0.000 0.216 254 L C 1.943 178.943 176.870 0.217 0.000 1.114 254 L CA 0.879 55.790 54.840 0.119 0.000 0.777 254 L CB -0.160 41.961 42.059 0.104 0.000 0.910 254 L HN 0.162 nan 8.230 nan 0.000 0.440 255 V N -3.676 116.364 119.914 0.209 0.000 3.271 255 V HA 0.517 4.637 4.120 -0.000 0.000 0.327 255 V C 1.000 177.158 176.094 0.107 0.000 1.389 255 V CA 0.238 62.651 62.300 0.188 0.000 1.156 255 V CB -0.156 31.727 31.823 0.100 0.000 1.103 255 V HN 0.417 nan 8.190 nan 0.000 0.453 256 G N -0.471 108.386 108.800 0.094 0.000 2.142 256 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.225 256 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.225 256 G C 0.010 174.940 174.900 0.050 0.000 1.015 256 G CA 0.006 45.146 45.100 0.066 0.000 0.716 256 G HN 0.750 nan 8.290 nan 0.000 0.508 266 D N 0.661 121.062 120.400 0.002 0.000 2.172 266 D HA -0.128 4.512 4.640 -0.000 0.000 0.196 266 D C 1.249 177.551 176.300 0.004 0.000 0.999 266 D CA 1.872 55.870 54.000 -0.002 0.000 0.856 266 D CB 0.281 41.080 40.800 -0.003 0.000 0.934 266 D HN 0.601 nan 8.370 nan 0.000 0.453 267 T N 0.105 114.666 114.554 0.012 0.000 2.674 267 T HA -0.171 4.179 4.350 -0.000 0.000 0.265 267 T C 1.760 176.474 174.700 0.024 0.000 1.039 267 T CA 1.385 63.498 62.100 0.021 0.000 1.150 267 T CB -0.250 68.631 68.868 0.021 0.000 0.864 267 T HN 0.326 nan 8.240 nan 0.000 0.427 268 E N 0.639 120.851 120.200 0.019 0.000 2.204 268 E HA -0.109 4.241 4.350 -0.000 0.000 0.195 268 E C 2.189 178.802 176.600 0.021 0.000 0.990 268 E CA 0.663 57.075 56.400 0.021 0.000 0.821 268 E CB -0.187 29.523 29.700 0.017 0.000 0.750 268 E HN 0.468 nan 8.360 nan 0.000 0.477 269 L N 0.493 121.723 121.223 0.013 0.000 2.068 269 L HA -0.120 4.220 4.340 -0.000 0.000 0.204 269 L C 2.269 179.144 176.870 0.008 0.000 1.076 269 L CA 0.652 55.496 54.840 0.006 0.000 0.753 269 L CB -0.123 41.931 42.059 -0.009 0.000 0.910 269 L HN 0.186 nan 8.230 nan 0.000 0.439 270 I N 0.613 121.188 120.570 0.008 0.000 2.286 270 I HA -0.221 3.949 4.170 -0.000 0.000 0.248 270 I C 2.903 179.088 176.117 0.114 0.000 1.115 270 I CA 1.384 62.708 61.300 0.040 0.000 1.392 270 I CB -1.823 36.209 38.000 0.053 0.000 1.065 270 I HN 0.290 nan 8.210 nan 0.000 0.418 271 A N 0.232 123.098 122.820 0.077 0.000 1.908 271 A HA -0.295 4.025 4.320 -0.000 0.000 0.218 271 A C 2.677 180.303 177.584 0.070 0.000 1.181 271 A CA 2.025 54.105 52.037 0.072 0.000 0.627 271 A CB -1.344 17.684 19.000 0.047 0.000 0.818 271 A HN 0.563 nan 8.150 nan 0.000 0.445 272 c N -0.615 118.020 118.600 0.058 0.000 2.446 272 c HA 0.022 4.592 4.570 -0.000 0.000 0.277 272 c C 2.548 176.681 174.090 0.072 0.000 1.275 272 c CA 1.045 57.405 56.329 0.052 0.000 1.727 272 c CB -1.492 41.041 42.510 0.038 0.000 2.010 272 c HN 0.588 nan 8.230 nan 0.000 0.486 273 L N 0.176 121.459 121.223 0.100 0.000 2.191 273 L HA -0.085 4.255 4.340 -0.000 0.000 0.212 273 L C 2.827 179.838 176.870 0.235 0.000 1.103 273 L CA 1.285 56.221 54.840 0.159 0.000 0.769 273 L CB -0.611 41.531 42.059 0.139 0.000 0.908 273 L HN 0.402 nan 8.230 nan 0.000 0.438 274 R N -0.760 119.860 120.500 0.201 0.000 2.276 274 R HA -0.067 4.273 4.340 -0.000 0.000 0.203 274 R C 2.138 178.456 176.300 0.029 0.000 1.017 274 R CA 1.403 57.557 56.100 0.092 0.000 1.010 274 R CB -0.089 30.252 30.300 0.069 0.000 0.900 274 R HN 0.455 nan 8.270 nan 0.000 0.469 275 T N -1.616 112.963 114.554 0.040 0.000 3.067 275 T HA 0.109 4.458 4.350 -0.000 0.000 0.257 275 T C 0.911 175.617 174.700 0.009 0.000 1.105 275 T CA -0.138 61.973 62.100 0.018 0.000 1.104 275 T CB 0.184 69.066 68.868 0.022 0.000 0.925 275 T HN -0.135 nan 8.240 nan 0.000 0.498 276 R N 2.839 123.351 120.500 0.019 0.000 2.491 276 R HA 0.355 4.695 4.340 -0.000 0.000 0.283 276 R C -2.679 173.608 176.300 -0.022 0.000 1.072 276 R CA -2.539 53.561 56.100 -0.001 0.000 1.048 276 R CB -0.443 29.857 30.300 -0.000 0.000 0.983 276 R HN 0.273 nan 8.270 nan 0.000 0.450 277 P HA -0.029 nan 4.420 nan 0.000 0.267 277 P C 0.365 177.608 177.300 -0.096 0.000 1.200 277 P CA 0.243 63.302 63.100 -0.068 0.000 0.772 277 P CB 0.550 32.217 31.700 -0.056 0.000 0.855 278 A N 2.739 125.442 122.820 -0.195 0.000 1.948 278 A HA -0.280 4.040 4.320 -0.000 0.000 0.220 278 A C 2.148 179.592 177.584 -0.233 0.000 1.177 278 A CA 1.992 53.870 52.037 -0.266 0.000 0.636 278 A CB -1.091 17.275 19.000 -1.057 0.000 0.815 278 A HN 0.560 nan 8.150 nan 0.000 0.449 279 Q N -0.293 119.377 119.800 -0.218 0.000 2.172 279 Q HA -0.121 4.219 4.340 -0.000 0.000 0.200 279 Q C 1.668 177.661 176.000 -0.011 0.000 0.964 279 Q CA 1.554 57.369 55.803 0.020 0.000 0.855 279 Q CB -0.286 28.524 28.738 0.119 0.000 0.918 279 Q HN 0.601 nan 8.270 nan 0.000 0.444 280 D N -0.652 119.694 120.400 -0.090 0.000 2.133 280 D HA -0.183 4.457 4.640 -0.000 0.000 0.195 280 D C 1.482 177.588 176.300 -0.324 0.000 0.997 280 D CA 1.018 54.888 54.000 -0.218 0.000 0.840 280 D CB 0.002 40.697 40.800 -0.174 0.000 0.947 280 D HN 0.258 nan 8.370 nan 0.000 0.452 281 L N 0.034 121.148 121.223 -0.183 0.000 1.994 281 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 281 L C 2.761 179.569 176.870 -0.104 0.000 1.071 281 L CA 0.925 55.649 54.840 -0.193 0.000 0.745 281 L CB -1.003 40.882 42.059 -0.289 0.000 0.892 281 L HN -0.010 nan 8.230 nan 0.000 0.431 282 V N -0.326 119.612 119.914 0.040 0.000 2.392 282 V HA -0.311 3.808 4.120 -0.000 0.000 0.249 282 V C 2.173 178.430 176.094 0.273 0.000 1.059 282 V CA 1.768 64.205 62.300 0.228 0.000 1.051 282 V CB -0.688 31.391 31.823 0.427 0.000 0.658 282 V HN 0.414 nan 8.190 nan 0.000 0.455 283 D N -0.730 119.775 120.400 0.174 0.000 2.144 283 D HA -0.141 4.499 4.640 -0.000 0.000 0.199 283 D C 1.944 178.389 176.300 0.241 0.000 0.984 283 D CA 1.541 55.682 54.000 0.236 0.000 0.834 283 D CB -0.252 40.630 40.800 0.137 0.000 0.955 283 D HN 0.658 nan 8.370 nan 0.000 0.465 284 H N -0.637 118.341 119.070 -0.153 0.000 2.586 284 H HA 0.090 4.646 4.556 -0.000 0.000 0.273 284 H C 1.601 176.770 175.328 -0.265 0.000 0.997 284 H CA 0.087 55.821 56.048 -0.523 0.000 1.177 284 H CB 0.577 30.180 29.762 -0.266 0.000 1.471 284 H HN 0.291 nan 8.280 nan 0.000 0.538 285 E N 0.930 121.167 120.200 0.062 0.000 2.265 285 E HA -0.199 4.151 4.350 -0.000 0.000 0.196 285 E C 0.855 177.479 176.600 0.040 0.000 0.996 285 E CA 1.027 57.479 56.400 0.086 0.000 0.832 285 E CB -0.214 29.459 29.700 -0.044 0.000 0.756 285 E HN 0.534 nan 8.360 nan 0.000 0.491 286 W N 0.543 121.915 121.300 0.118 0.000 3.003 286 W HA 0.178 4.838 4.660 -0.000 0.000 0.257 286 W C 1.746 178.408 176.519 0.237 0.000 1.308 286 W CA 0.441 57.870 57.345 0.140 0.000 1.529 286 W CB -0.023 29.492 29.460 0.093 0.000 1.115 286 W HN 0.219 nan 8.180 nan 0.000 0.659 287 H N -0.376 118.851 119.070 0.261 0.000 2.491 287 H HA -0.098 4.458 4.556 -0.000 0.000 0.290 287 H C 2.111 177.490 175.328 0.085 0.000 1.050 287 H CA 1.285 57.417 56.048 0.140 0.000 1.309 287 H CB -0.038 29.767 29.762 0.071 0.000 1.392 287 H HN 0.137 nan 8.280 nan 0.000 0.554 288 V N -0.676 119.350 119.914 0.185 0.000 3.461 288 V HA 0.049 4.169 4.120 -0.000 0.000 0.267 288 V C 0.914 176.998 176.094 -0.016 0.000 1.186 288 V CA 0.179 62.510 62.300 0.052 0.000 1.154 288 V CB -0.693 31.115 31.823 -0.025 0.000 0.802 288 V HN 0.140 nan 8.190 nan 0.000 0.474 289 L N 2.301 123.538 121.223 0.024 0.000 2.525 289 L HA 0.150 4.490 4.340 -0.000 0.000 0.278 289 L C -0.197 176.676 176.870 0.005 0.000 1.218 289 L CA -0.684 54.157 54.840 0.002 0.000 0.878 289 L CB 0.600 42.702 42.059 0.072 0.000 1.127 289 L HN 0.191 nan 8.230 nan 0.000 0.492 290 P HA -0.035 nan 4.420 nan 0.000 0.227 290 P C -0.195 177.102 177.300 -0.005 0.000 1.161 290 P CA 0.874 63.964 63.100 -0.016 0.000 0.788 290 P CB 0.683 32.363 31.700 -0.033 0.000 0.822 291 Q N -1.106 118.695 119.800 0.001 0.000 2.553 291 Q HA 0.338 4.677 4.340 -0.000 0.000 0.293 291 Q C -0.880 175.130 176.000 0.017 0.000 1.038 291 Q CA -0.758 55.048 55.803 0.006 0.000 0.777 291 Q CB 1.610 30.347 28.738 -0.002 0.000 1.487 291 Q HN -0.102 nan 8.270 nan 0.000 0.426 292 E N 1.305 121.514 120.200 0.015 0.000 2.159 292 E HA 0.248 4.598 4.350 -0.000 0.000 0.272 292 E C -1.037 175.576 176.600 0.022 0.000 1.138 292 E CA 0.026 56.439 56.400 0.021 0.000 0.915 292 E CB 0.248 29.958 29.700 0.017 0.000 1.028 292 E HN 0.565 nan 8.360 nan 0.000 0.423 293 S N 3.810 119.528 115.700 0.030 0.000 2.705 293 S HA 0.743 5.213 4.470 -0.000 0.000 0.280 293 S C -0.478 174.147 174.600 0.041 0.000 1.174 293 S CA -1.029 57.187 58.200 0.027 0.000 0.823 293 S CB 0.975 64.181 63.200 0.010 0.000 1.162 293 S HN 0.509 nan 8.310 nan 0.000 0.487 294 I N -3.704 116.888 120.570 0.038 0.000 2.802 294 I HA 0.773 4.943 4.170 -0.000 0.000 0.298 294 I C -0.569 175.569 176.117 0.035 0.000 1.176 294 I CA -1.098 60.244 61.300 0.069 0.000 1.025 294 I CB 1.670 39.746 38.000 0.127 0.000 1.243 294 I HN 0.764 nan 8.210 nan 0.000 0.424 295 F N 2.018 121.830 119.950 -0.230 0.000 3.080 295 F HA -0.191 4.336 4.527 -0.000 0.000 0.292 295 F C -0.242 175.049 175.800 -0.848 0.000 0.891 295 F CA 0.724 58.355 58.000 -0.615 0.000 1.086 295 F CB -0.893 37.628 39.000 -0.798 0.000 1.095 295 F HN 0.803 nan 8.300 nan 0.000 0.633 296 R N 0.982 121.103 120.500 -0.631 0.000 2.510 296 R HA 0.591 4.931 4.340 -0.000 0.000 0.294 296 R C -1.282 174.683 176.300 -0.559 0.000 1.056 296 R CA -0.356 55.424 56.100 -0.533 0.000 0.918 296 R CB 0.790 30.985 30.300 -0.174 0.000 1.187 296 R HN -0.040 nan 8.270 nan 0.000 0.437 297 F N 1.226 121.279 119.950 0.172 0.000 2.458 297 F HA 0.426 4.953 4.527 -0.000 0.000 0.330 297 F C 1.508 177.239 175.800 -0.115 0.000 1.082 297 F CA -0.876 57.141 58.000 0.028 0.000 0.995 297 F CB 1.877 40.981 39.000 0.173 0.000 1.170 297 F HN 0.432 nan 8.300 nan 0.000 0.478 298 S N 0.752 116.363 115.700 -0.148 0.000 2.351 298 S HA -0.085 4.385 4.470 -0.000 0.000 0.220 298 S C 0.124 174.401 174.600 -0.538 0.000 1.035 298 S CA 1.311 59.287 58.200 -0.374 0.000 1.031 298 S CB -0.291 62.658 63.200 -0.418 0.000 0.928 298 S HN 0.375 nan 8.310 nan 0.000 0.433 299 F N 1.428 121.360 119.950 -0.029 0.000 2.366 299 F HA 0.524 5.051 4.527 -0.000 0.000 0.366 299 F C 0.076 175.867 175.800 -0.015 0.000 1.096 299 F CA -0.888 57.123 58.000 0.018 0.000 1.060 299 F CB 1.093 40.133 39.000 0.067 0.000 1.282 299 F HN -0.065 nan 8.300 nan 0.000 0.450 300 V N 0.556 120.404 119.914 -0.110 0.000 3.145 300 V HA 0.762 4.882 4.120 -0.000 0.000 0.311 300 V C -2.886 172.748 176.094 -0.766 0.000 1.238 300 V CA -3.385 58.530 62.300 -0.641 0.000 1.066 300 V CB 1.817 33.429 31.823 -0.351 0.000 1.144 300 V HN 0.243 nan 8.190 nan 0.000 0.465 301 P HA 0.221 nan 4.420 nan 0.000 0.267 301 P C -0.512 176.584 177.300 -0.342 0.000 1.209 301 P CA 0.412 63.124 63.100 -0.646 0.000 0.763 301 P CB 0.741 31.981 31.700 -0.767 0.000 0.816 302 V N 5.574 125.384 119.914 -0.173 0.000 2.686 302 V HA 0.165 4.285 4.120 -0.000 0.000 0.295 302 V C -0.119 175.925 176.094 -0.083 0.000 1.057 302 V CA -0.550 61.686 62.300 -0.108 0.000 1.012 302 V CB 1.518 33.318 31.823 -0.040 0.000 1.006 302 V HN 0.142 nan 8.190 nan 0.000 0.477 303 V N 7.183 127.055 119.914 -0.070 0.000 2.338 303 V HA 0.229 4.349 4.120 -0.000 0.000 0.255 303 V C 0.575 176.662 176.094 -0.012 0.000 1.082 303 V CA 0.009 62.286 62.300 -0.039 0.000 0.951 303 V CB 0.442 32.235 31.823 -0.049 0.000 1.102 303 V HN 1.070 nan 8.190 nan 0.000 0.489 304 D N 2.686 123.096 120.400 0.017 0.000 2.350 304 D HA 0.110 4.750 4.640 -0.000 0.000 0.213 304 D C 1.529 177.849 176.300 0.032 0.000 1.031 304 D CA 0.647 54.664 54.000 0.029 0.000 0.861 304 D CB 0.306 41.137 40.800 0.052 0.000 0.926 304 D HN 0.690 nan 8.370 nan 0.000 0.520 305 G N 0.705 109.525 108.800 0.033 0.000 2.160 305 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.251 305 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.251 305 G C 0.302 175.222 174.900 0.034 0.000 1.008 305 G CA 0.722 45.838 45.100 0.026 0.000 0.724 305 G HN 0.526 nan 8.290 nan 0.000 0.514 306 D N -1.715 118.721 120.400 0.061 0.000 3.045 306 D HA 0.167 4.807 4.640 -0.000 0.000 0.196 306 D C 1.662 178.011 176.300 0.082 0.000 1.520 306 D CA 0.442 54.480 54.000 0.064 0.000 1.466 306 D CB -0.613 40.235 40.800 0.080 0.000 1.152 306 D HN 0.120 nan 8.370 nan 0.000 0.254 307 F N 1.443 121.400 119.950 0.011 0.000 2.134 307 F HA 0.244 4.771 4.527 -0.000 0.000 0.299 307 F C 0.600 176.398 175.800 -0.003 0.000 1.097 307 F CA 1.112 59.119 58.000 0.012 0.000 1.264 307 F CB 0.167 39.172 39.000 0.009 0.000 1.001 307 F HN -0.040 nan 8.300 nan 0.000 0.479 308 L N 0.890 122.274 121.223 0.269 0.000 2.295 308 L HA 0.199 4.539 4.340 -0.000 0.000 0.281 308 L C 1.443 178.353 176.870 0.067 0.000 1.018 308 L CA -0.237 54.693 54.840 0.150 0.000 0.841 308 L CB 1.378 43.503 42.059 0.111 0.000 1.218 308 L HN 0.093 nan 8.230 nan 0.000 0.424 309 S N 0.931 116.652 115.700 0.035 0.000 2.368 309 S HA -0.084 4.386 4.470 -0.000 0.000 0.225 309 S C 0.567 175.173 174.600 0.010 0.000 1.030 309 S CA 0.874 59.083 58.200 0.015 0.000 0.999 309 S CB 0.160 63.361 63.200 0.002 0.000 0.844 309 S HN 0.692 nan 8.310 nan 0.000 0.459 310 D N 0.110 120.516 120.400 0.010 0.000 2.837 310 D HA 0.411 5.051 4.640 -0.000 0.000 0.294 310 D C -0.603 175.693 176.300 -0.007 0.000 1.158 310 D CA 0.046 54.045 54.000 -0.001 0.000 1.073 310 D CB 1.476 42.274 40.800 -0.003 0.000 1.419 310 D HN 0.307 nan 8.370 nan 0.000 0.584 311 T N -1.666 112.877 114.554 -0.020 0.000 2.904 311 T HA 0.398 4.748 4.350 -0.000 0.000 0.290 311 T C -1.930 172.752 174.700 -0.030 0.000 1.018 311 T CA -1.092 60.985 62.100 -0.038 0.000 1.075 311 T CB 1.502 70.339 68.868 -0.052 0.000 0.986 311 T HN 0.047 nan 8.240 nan 0.000 0.523 312 P HA -0.087 nan 4.420 nan 0.000 0.216 312 P C 1.451 178.734 177.300 -0.029 0.000 1.150 312 P CA 0.876 63.950 63.100 -0.045 0.000 0.843 312 P CB 0.133 31.771 31.700 -0.103 0.000 0.787 313 E N -0.378 119.793 120.200 -0.048 0.000 2.031 313 E HA -0.158 4.192 4.350 -0.000 0.000 0.193 313 E C 2.023 178.619 176.600 -0.006 0.000 0.994 313 E CA 1.558 57.937 56.400 -0.034 0.000 0.800 313 E CB -1.123 28.547 29.700 -0.050 0.000 0.752 313 E HN 0.025 nan 8.360 nan 0.000 0.447 314 A N 0.334 123.148 122.820 -0.010 0.000 1.851 314 A HA -0.199 4.120 4.320 -0.000 0.000 0.216 314 A C 2.066 179.663 177.584 0.022 0.000 1.195 314 A CA 1.709 53.746 52.037 -0.000 0.000 0.622 314 A CB -0.906 18.089 19.000 -0.008 0.000 0.831 314 A HN 0.298 nan 8.150 nan 0.000 0.444 315 L N 0.094 121.339 121.223 0.036 0.000 2.042 315 L HA -0.194 4.146 4.340 -0.000 0.000 0.210 315 L C 2.471 179.442 176.870 0.167 0.000 1.076 315 L CA 2.098 56.986 54.840 0.080 0.000 0.749 315 L CB -1.050 41.063 42.059 0.089 0.000 0.893 315 L HN 0.708 nan 8.230 nan 0.000 0.432 316 I N -4.268 116.399 120.570 0.163 0.000 3.111 316 I HA -0.057 4.113 4.170 -0.000 0.000 0.272 316 I C 1.588 177.838 176.117 0.221 0.000 1.268 316 I CA 0.970 62.428 61.300 0.262 0.000 1.467 316 I CB -0.431 37.639 38.000 0.117 0.000 1.087 316 I HN 0.131 nan 8.210 nan 0.000 0.467 317 N N 0.823 119.589 118.700 0.109 0.000 2.405 317 N HA 0.013 4.753 4.740 -0.000 0.000 0.175 317 N C 0.268 175.794 175.510 0.026 0.000 1.051 317 N CA 1.121 54.209 53.050 0.064 0.000 0.899 317 N CB 0.512 39.018 38.487 0.032 0.000 1.000 317 N HN 0.532 nan 8.380 nan 0.000 0.451 318 T N -2.027 112.528 114.554 0.002 0.000 3.418 318 T HA 0.690 5.040 4.350 -0.000 0.000 0.315 318 T C -0.175 174.439 174.700 -0.142 0.000 1.447 318 T CA -0.864 61.200 62.100 -0.060 0.000 1.641 318 T CB 0.545 69.389 68.868 -0.040 0.000 0.904 318 T HN 0.048 nan 8.240 nan 0.000 0.640 319 G N 0.323 108.930 108.800 -0.320 0.000 2.690 319 G HA2 0.552 4.512 3.960 -0.000 0.000 0.293 319 G HA3 0.552 4.512 3.960 -0.000 0.000 0.293 319 G C -2.064 172.250 174.900 -0.975 0.000 1.399 319 G CA -0.820 43.892 45.100 -0.647 0.000 0.890 319 G HN 0.392 nan 8.290 nan 0.000 0.485 320 D N -0.354 119.581 120.400 -0.775 0.000 2.274 320 D HA 0.569 5.209 4.640 -0.000 0.000 0.239 320 D C -0.444 175.543 176.300 -0.521 0.000 1.104 320 D CA -0.381 53.299 54.000 -0.533 0.000 0.840 320 D CB 0.628 41.286 40.800 -0.237 0.000 1.100 320 D HN 0.076 nan 8.370 nan 0.000 0.477 321 F N 2.226 122.182 119.950 0.009 0.000 2.835 321 F HA 0.259 4.786 4.527 -0.000 0.000 0.342 321 F C 1.525 177.335 175.800 0.017 0.000 1.202 321 F CA -0.417 57.593 58.000 0.017 0.000 1.240 321 F CB 0.158 39.178 39.000 0.033 0.000 1.005 321 F HN 0.375 nan 8.300 nan 0.000 0.507 322 Q N 0.731 120.605 119.800 0.124 0.000 2.123 322 Q HA -0.126 4.213 4.340 -0.000 0.000 0.199 322 Q C 1.560 177.606 176.000 0.076 0.000 0.966 322 Q CA 1.676 57.530 55.803 0.085 0.000 0.845 322 Q CB -0.026 28.734 28.738 0.037 0.000 0.907 322 Q HN 0.369 nan 8.270 nan 0.000 0.439 323 D N -0.634 119.806 120.400 0.067 0.000 2.323 323 D HA -0.048 4.592 4.640 -0.000 0.000 0.239 323 D C -0.051 176.280 176.300 0.052 0.000 1.129 323 D CA 0.231 54.257 54.000 0.043 0.000 0.865 323 D CB 0.052 40.861 40.800 0.015 0.000 0.913 323 D HN 0.204 nan 8.370 nan 0.000 0.517 324 L N 0.362 121.641 121.223 0.094 0.000 2.329 324 L HA 0.335 4.675 4.340 -0.000 0.000 0.279 324 L C -0.747 176.196 176.870 0.121 0.000 1.014 324 L CA -0.677 54.224 54.840 0.102 0.000 0.814 324 L CB 1.963 44.097 42.059 0.124 0.000 1.257 324 L HN -0.213 nan 8.230 nan 0.000 0.424 325 Q N 2.671 122.561 119.800 0.150 0.000 2.330 325 Q HA 0.607 4.947 4.340 -0.000 0.000 0.269 325 Q C -1.344 174.901 176.000 0.408 0.000 1.022 325 Q CA -0.340 55.611 55.803 0.248 0.000 0.796 325 Q CB 3.034 31.873 28.738 0.168 0.000 1.271 325 Q HN 0.301 nan 8.270 nan 0.000 0.450 326 V N 2.972 123.104 119.914 0.363 0.000 2.789 326 V HA 0.500 4.620 4.120 -0.000 0.000 0.311 326 V C -1.034 175.060 176.094 0.000 0.000 1.073 326 V CA -0.827 61.616 62.300 0.239 0.000 0.921 326 V CB 2.235 34.114 31.823 0.094 0.000 1.009 326 V HN 0.669 nan 8.190 nan 0.000 0.426 327 L N 5.401 126.441 121.223 -0.306 0.000 2.319 327 L HA 0.793 5.133 4.340 -0.000 0.000 0.281 327 L C -0.910 175.888 176.870 -0.120 0.000 1.005 327 L CA -0.538 54.011 54.840 -0.485 0.000 0.828 327 L CB 1.608 42.922 42.059 -1.243 0.000 1.227 327 L HN 0.649 nan 8.230 nan 0.000 0.415 328 V N 1.296 121.224 119.914 0.023 0.000 2.823 328 V HA 1.081 5.200 4.120 -0.000 0.000 0.312 328 V C -0.172 175.816 176.094 -0.176 0.000 1.072 328 V CA -0.172 62.129 62.300 0.001 0.000 0.937 328 V CB 1.426 33.201 31.823 -0.080 0.000 1.013 328 V HN 0.814 nan 8.190 nan 0.000 0.430 329 G N 0.265 108.789 108.800 -0.459 0.000 2.554 329 G HA2 0.713 4.673 3.960 -0.000 0.000 0.306 329 G HA3 0.713 4.673 3.960 -0.000 0.000 0.306 329 G C -1.762 172.760 174.900 -0.629 0.000 1.320 329 G CA -0.093 44.183 45.100 -1.374 0.000 0.800 329 G HN 1.659 nan 8.290 nan 0.000 0.481 330 V N -0.771 118.832 119.914 -0.518 0.000 3.147 330 V HA 0.680 4.800 4.120 -0.000 0.000 0.299 330 V C -0.639 175.586 176.094 0.218 0.000 1.302 330 V CA -0.194 62.091 62.300 -0.024 0.000 1.015 330 V CB 1.972 33.756 31.823 -0.066 0.000 1.086 330 V HN 1.645 nan 8.190 nan 0.000 0.437 331 V N 2.826 122.923 119.914 0.305 0.000 2.743 331 V HA 0.537 4.657 4.120 -0.000 0.000 0.301 331 V C 1.320 177.582 176.094 0.279 0.000 1.057 331 V CA 0.376 62.917 62.300 0.401 0.000 1.006 331 V CB 1.277 33.359 31.823 0.432 0.000 1.024 331 V HN 1.041 nan 8.190 nan 0.000 0.473 332 K N 1.136 121.695 120.400 0.265 0.000 2.160 332 K HA -0.157 4.163 4.320 -0.000 0.000 0.206 332 K C 0.054 176.755 176.600 0.169 0.000 1.047 332 K CA 2.289 58.687 56.287 0.184 0.000 0.930 332 K CB -0.019 32.568 32.500 0.145 0.000 0.720 332 K HN 0.963 nan 8.250 nan 0.000 0.450 333 D N 0.469 120.981 120.400 0.187 0.000 2.613 333 D HA 0.072 4.712 4.640 -0.000 0.000 0.312 333 D C -0.096 176.320 176.300 0.193 0.000 1.202 333 D CA -0.238 53.864 54.000 0.170 0.000 0.825 333 D CB 1.288 42.177 40.800 0.149 0.000 1.113 333 D HN 0.077 nan 8.370 nan 0.000 0.502 334 E N 0.405 120.722 120.200 0.195 0.000 2.209 334 E HA -0.123 4.227 4.350 -0.000 0.000 0.196 334 E C 2.018 178.777 176.600 0.265 0.000 0.993 334 E CA 0.819 57.353 56.400 0.224 0.000 0.819 334 E CB 0.136 29.926 29.700 0.150 0.000 0.745 334 E HN 0.522 nan 8.360 nan 0.000 0.477 335 G N 1.406 110.332 108.800 0.211 0.000 2.411 335 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.213 335 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.213 335 G C 1.739 176.841 174.900 0.337 0.000 1.166 335 G CA 0.956 46.212 45.100 0.260 0.000 0.802 335 G HN 0.345 nan 8.290 nan 0.000 0.533 336 S N 0.873 116.702 115.700 0.216 0.000 2.412 336 S HA -0.441 4.029 4.470 -0.000 0.000 0.246 336 S C 2.037 176.647 174.600 0.018 0.000 1.073 336 S CA 1.867 60.157 58.200 0.150 0.000 1.186 336 S CB -1.243 61.963 63.200 0.010 0.000 1.084 336 S HN 0.470 nan 8.310 nan 0.000 0.434 337 Y N 2.578 122.702 120.300 -0.293 0.000 2.108 337 Y HA -0.323 4.226 4.550 -0.000 0.000 0.274 337 Y C 1.992 177.660 175.900 -0.386 0.000 1.229 337 Y CA 2.021 59.773 58.100 -0.581 0.000 1.129 337 Y CB -0.834 37.162 38.460 -0.773 0.000 0.946 337 Y HN 0.288 nan 8.280 nan 0.000 0.509 338 F N -1.009 119.014 119.950 0.123 0.000 2.325 338 F HA -0.121 4.406 4.527 -0.000 0.000 0.299 338 F C 2.137 177.999 175.800 0.103 0.000 1.090 338 F CA 0.831 58.883 58.000 0.087 0.000 1.392 338 F CB -0.740 38.243 39.000 -0.027 0.000 1.053 338 F HN 0.018 nan 8.300 nan 0.000 0.521 339 L N -0.588 120.737 121.223 0.170 0.000 2.012 339 L HA -0.215 4.125 4.340 -0.000 0.000 0.210 339 L C 2.423 179.369 176.870 0.127 0.000 1.073 339 L CA 0.863 55.673 54.840 -0.049 0.000 0.748 339 L CB -1.082 40.671 42.059 -0.511 0.000 0.891 339 L HN -0.047 nan 8.230 nan 0.000 0.431 340 V N -0.950 119.080 119.914 0.193 0.000 2.660 340 V HA -0.308 3.812 4.120 -0.000 0.000 0.257 340 V C 1.937 177.984 176.094 -0.079 0.000 1.088 340 V CA 1.779 64.163 62.300 0.139 0.000 1.106 340 V CB -0.701 31.156 31.823 0.057 0.000 0.686 340 V HN 0.383 nan 8.190 nan 0.000 0.481 341 Y N -0.639 119.645 120.300 -0.026 0.000 2.500 341 Y HA 0.357 4.907 4.550 -0.000 0.000 0.270 341 Y C 1.996 177.882 175.900 -0.023 0.000 1.134 341 Y CA 0.749 58.815 58.100 -0.058 0.000 1.293 341 Y CB 0.518 38.935 38.460 -0.071 0.000 1.063 341 Y HN 0.253 nan 8.280 nan 0.000 0.534 342 G N -1.631 107.262 108.800 0.154 0.000 3.293 342 G HA2 0.093 4.053 3.960 -0.000 0.000 0.157 342 G HA3 0.093 4.053 3.960 -0.000 0.000 0.157 342 G C -0.721 174.250 174.900 0.118 0.000 1.298 342 G CA -0.176 44.989 45.100 0.108 0.000 0.831 342 G HN -0.082 nan 8.290 nan 0.000 0.902 343 V N 3.341 123.347 119.914 0.153 0.000 2.389 343 V HA 0.304 4.424 4.120 -0.000 0.000 0.264 343 V C -2.088 174.218 176.094 0.354 0.000 1.049 343 V CA -1.458 60.971 62.300 0.215 0.000 0.932 343 V CB 1.049 32.958 31.823 0.143 0.000 1.011 343 V HN 0.028 nan 8.190 nan 0.000 0.475 344 P HA 0.235 nan 4.420 nan 0.000 0.264 344 P C 0.976 178.341 177.300 0.107 0.000 1.193 344 P CA 1.230 64.416 63.100 0.143 0.000 0.763 344 P CB 0.598 32.346 31.700 0.080 0.000 0.810 345 G N 1.555 110.350 108.800 -0.007 0.000 2.211 345 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.201 345 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.201 345 G C -0.268 174.329 174.900 -0.505 0.000 0.997 345 G CA -0.653 44.281 45.100 -0.276 0.000 0.652 345 G HN 0.388 nan 8.290 nan 0.000 0.500 346 F N 1.443 121.407 119.950 0.023 0.000 2.458 346 F HA 0.819 5.346 4.527 -0.000 0.000 0.336 346 F C 0.477 176.388 175.800 0.184 0.000 1.114 346 F CA -0.446 57.605 58.000 0.086 0.000 0.987 346 F CB 2.392 41.484 39.000 0.152 0.000 1.130 346 F HN 0.113 nan 8.300 nan 0.000 0.458 347 S N 1.442 117.411 115.700 0.448 0.000 2.550 347 S HA 0.293 4.763 4.470 -0.000 0.000 0.270 347 S C 0.320 175.225 174.600 0.509 0.000 1.145 347 S CA -0.879 57.560 58.200 0.399 0.000 0.852 347 S CB 1.409 64.736 63.200 0.212 0.000 1.119 347 S HN 0.769 nan 8.310 nan 0.000 0.465 348 K N 1.363 121.958 120.400 0.325 0.000 2.296 348 K HA 0.074 4.393 4.320 -0.000 0.000 0.200 348 K C 0.344 176.944 176.600 -0.000 0.000 1.048 348 K CA 1.095 57.460 56.287 0.130 0.000 0.966 348 K CB -0.122 32.266 32.500 -0.187 0.000 0.754 348 K HN 0.436 nan 8.250 nan 0.000 0.466 349 D N 1.384 121.765 120.400 -0.032 0.000 2.137 349 D HA -0.078 4.562 4.640 -0.000 0.000 0.202 349 D C 0.573 176.895 176.300 0.036 0.000 0.970 349 D CA 1.072 55.032 54.000 -0.066 0.000 0.837 349 D CB -0.103 40.629 40.800 -0.113 0.000 0.981 349 D HN 0.502 nan 8.370 nan 0.000 0.475 350 N N -0.152 118.612 118.700 0.107 0.000 2.717 350 N HA 0.121 4.861 4.740 -0.000 0.000 0.314 350 N C 0.413 176.020 175.510 0.161 0.000 1.324 350 N CA -0.483 52.616 53.050 0.081 0.000 0.902 350 N CB 0.329 38.820 38.487 0.006 0.000 1.126 350 N HN -0.248 nan 8.380 nan 0.000 0.579 351 E N -0.967 119.241 120.200 0.013 0.000 2.474 351 E HA 0.127 4.477 4.350 -0.000 0.000 0.195 351 E C -0.632 175.664 176.600 -0.506 0.000 1.039 351 E CA -0.189 56.161 56.400 -0.083 0.000 0.881 351 E CB -0.080 29.590 29.700 -0.049 0.000 0.970 351 E HN 0.504 nan 8.360 nan 0.000 0.486 352 S N 1.470 116.897 115.700 -0.455 0.000 3.447 352 S HA -0.155 4.315 4.470 -0.000 0.000 0.371 352 S C -0.070 174.115 174.600 -0.692 0.000 0.951 352 S CA 0.240 58.033 58.200 -0.678 0.000 1.269 352 S CB -0.731 61.878 63.200 -0.986 0.000 0.919 352 S HN 0.241 nan 8.310 nan 0.000 0.516 353 L N 3.042 124.003 121.223 -0.437 0.000 2.260 353 L HA 0.494 4.833 4.340 -0.000 0.000 0.289 353 L C 0.734 177.404 176.870 -0.333 0.000 1.057 353 L CA 0.002 54.643 54.840 -0.332 0.000 0.811 353 L CB 0.224 42.158 42.059 -0.209 0.000 1.184 353 L HN 0.461 nan 8.230 nan 0.000 0.429 354 I N 1.039 121.405 120.570 -0.340 0.000 2.947 354 I HA 0.614 4.784 4.170 -0.000 0.000 0.314 354 I C 0.346 176.385 176.117 -0.131 0.000 1.028 354 I CA -0.533 60.605 61.300 -0.269 0.000 1.077 354 I CB 1.857 39.652 38.000 -0.342 0.000 1.274 354 I HN 0.586 nan 8.210 nan 0.000 0.485 355 S N 2.827 118.481 115.700 -0.077 0.000 2.632 355 S HA 0.354 4.824 4.470 -0.000 0.000 0.271 355 S C 1.009 175.634 174.600 0.041 0.000 1.260 355 S CA -0.496 57.690 58.200 -0.023 0.000 1.010 355 S CB 1.588 64.778 63.200 -0.017 0.000 0.965 355 S HN 0.867 nan 8.310 nan 0.000 0.534 356 R N 0.979 121.514 120.500 0.058 0.000 2.159 356 R HA -0.113 4.227 4.340 -0.000 0.000 0.237 356 R C 2.009 178.400 176.300 0.151 0.000 1.131 356 R CA 1.493 57.674 56.100 0.136 0.000 0.982 356 R CB -0.968 29.393 30.300 0.101 0.000 0.868 356 R HN 0.827 nan 8.270 nan 0.000 0.453 357 A N 0.700 123.571 122.820 0.086 0.000 1.930 357 A HA -0.171 4.149 4.320 -0.000 0.000 0.217 357 A C 1.976 179.597 177.584 0.063 0.000 1.175 357 A CA 1.336 53.411 52.037 0.064 0.000 0.627 357 A CB -0.291 18.732 19.000 0.038 0.000 0.815 357 A HN 0.561 nan 8.150 nan 0.000 0.443 358 Q N -1.828 118.016 119.800 0.073 0.000 2.096 358 Q HA -0.069 4.271 4.340 -0.000 0.000 0.197 358 Q C 1.939 178.024 176.000 0.142 0.000 0.964 358 Q CA 1.284 57.136 55.803 0.081 0.000 0.838 358 Q CB -0.340 28.422 28.738 0.040 0.000 0.906 358 Q HN 0.686 nan 8.270 nan 0.000 0.444 359 F N 1.721 121.698 119.950 0.044 0.000 2.126 359 F HA -0.217 4.310 4.527 -0.000 0.000 0.299 359 F C 1.632 177.468 175.800 0.061 0.000 1.096 359 F CA 1.030 59.069 58.000 0.065 0.000 1.255 359 F CB -0.129 38.887 39.000 0.026 0.000 0.997 359 F HN -0.029 nan 8.300 nan 0.000 0.479 360 L N 0.610 121.753 121.223 -0.132 0.000 2.027 360 L HA -0.057 4.283 4.340 -0.000 0.000 0.206 360 L C 2.774 179.553 176.870 -0.151 0.000 1.074 360 L CA 1.978 56.694 54.840 -0.207 0.000 0.745 360 L CB -1.904 40.137 42.059 -0.031 0.000 0.898 360 L HN 0.232 nan 8.230 nan 0.000 0.433 361 A N -0.754 122.032 122.820 -0.056 0.000 2.015 361 A HA -0.034 4.286 4.320 -0.000 0.000 0.219 361 A C 2.340 179.907 177.584 -0.028 0.000 1.163 361 A CA 1.455 53.477 52.037 -0.025 0.000 0.646 361 A CB -1.088 17.919 19.000 0.011 0.000 0.806 361 A HN 0.443 nan 8.150 nan 0.000 0.448 362 G N -0.990 107.790 108.800 -0.033 0.000 2.464 362 G HA2 0.049 4.009 3.960 -0.000 0.000 0.217 362 G HA3 0.049 4.009 3.960 -0.000 0.000 0.217 362 G C 1.323 176.178 174.900 -0.076 0.000 1.138 362 G CA 0.956 46.052 45.100 -0.006 0.000 0.793 362 G HN 0.286 nan 8.290 nan 0.000 0.539 363 V N 1.085 120.882 119.914 -0.195 0.000 2.626 363 V HA -0.068 4.051 4.120 -0.000 0.000 0.252 363 V C 2.736 178.784 176.094 -0.076 0.000 1.067 363 V CA 1.172 63.368 62.300 -0.173 0.000 1.081 363 V CB -0.299 31.354 31.823 -0.284 0.000 0.686 363 V HN 0.244 nan 8.190 nan 0.000 0.468 364 R N -0.257 120.204 120.500 -0.065 0.000 2.193 364 R HA 0.132 4.472 4.340 -0.000 0.000 0.213 364 R C 1.966 178.258 176.300 -0.015 0.000 1.055 364 R CA 0.839 56.920 56.100 -0.031 0.000 0.995 364 R CB -0.439 29.846 30.300 -0.024 0.000 0.893 364 R HN 0.394 nan 8.270 nan 0.000 0.459 365 I N -0.146 120.418 120.570 -0.010 0.000 2.400 365 I HA -0.016 4.154 4.170 -0.000 0.000 0.248 365 I C 2.238 178.361 176.117 0.009 0.000 1.109 365 I CA 1.344 62.650 61.300 0.009 0.000 1.425 365 I CB -1.443 36.573 38.000 0.027 0.000 1.094 365 I HN 0.137 nan 8.210 nan 0.000 0.425 366 G N 0.825 109.624 108.800 -0.001 0.000 2.422 366 G HA2 -0.042 3.918 3.960 -0.000 0.000 0.218 366 G HA3 -0.042 3.918 3.960 -0.000 0.000 0.218 366 G C 0.918 175.820 174.900 0.003 0.000 1.140 366 G CA 0.412 45.514 45.100 0.003 0.000 0.775 366 G HN 0.260 nan 8.290 nan 0.000 0.545 367 V N 2.187 122.086 119.914 -0.025 0.000 2.361 367 V HA 0.217 4.337 4.120 -0.000 0.000 0.252 367 V C -1.343 174.737 176.094 -0.023 0.000 0.986 367 V CA -1.095 61.164 62.300 -0.069 0.000 1.033 367 V CB 1.420 33.187 31.823 -0.094 0.000 1.282 367 V HN 0.107 nan 8.190 nan 0.000 0.514 368 P HA -0.216 nan 4.420 nan 0.000 0.219 368 P C 1.342 178.640 177.300 -0.005 0.000 1.146 368 P CA 1.272 64.371 63.100 -0.002 0.000 0.808 368 P CB 0.405 32.107 31.700 0.002 0.000 0.779 369 Q N 0.002 119.802 119.800 -0.001 0.000 2.432 369 Q HA 0.108 4.448 4.340 -0.000 0.000 0.205 369 Q C 0.806 176.799 176.000 -0.012 0.000 0.945 369 Q CA 0.244 56.043 55.803 -0.006 0.000 0.924 369 Q CB -0.757 27.982 28.738 0.001 0.000 1.016 369 Q HN 0.065 nan 8.270 nan 0.000 0.503 370 A N 2.057 124.869 122.820 -0.013 0.000 2.445 370 A HA 0.383 4.703 4.320 -0.000 0.000 0.242 370 A C 0.340 177.918 177.584 -0.010 0.000 1.075 370 A CA 0.149 52.178 52.037 -0.013 0.000 0.777 370 A CB 0.303 19.299 19.000 -0.006 0.000 1.013 370 A HN 0.525 nan 8.150 nan 0.000 0.493 371 S N 0.879 116.573 115.700 -0.010 0.000 2.672 371 S HA 0.341 4.811 4.470 -0.000 0.000 0.276 371 S C 0.173 174.776 174.600 0.005 0.000 1.207 371 S CA -0.102 58.094 58.200 -0.006 0.000 1.002 371 S CB 0.956 64.150 63.200 -0.011 0.000 0.998 371 S HN 0.590 nan 8.310 nan 0.000 0.542 372 D N 0.280 120.684 120.400 0.008 0.000 2.190 372 D HA -0.106 4.534 4.640 -0.000 0.000 0.200 372 D C 1.605 177.922 176.300 0.029 0.000 0.992 372 D CA 0.941 54.950 54.000 0.016 0.000 0.854 372 D CB -0.262 40.547 40.800 0.015 0.000 0.936 372 D HN 0.371 nan 8.370 nan 0.000 0.462 373 L N 0.572 121.811 121.223 0.027 0.000 2.023 373 L HA 0.063 4.403 4.340 -0.000 0.000 0.205 373 L C 2.098 179.006 176.870 0.063 0.000 1.073 373 L CA 1.604 56.470 54.840 0.044 0.000 0.745 373 L CB -1.006 41.074 42.059 0.035 0.000 0.900 373 L HN 0.023 nan 8.230 nan 0.000 0.435 374 A N -0.239 122.607 122.820 0.042 0.000 1.892 374 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 374 A C 2.469 180.104 177.584 0.085 0.000 1.188 374 A CA 2.307 54.375 52.037 0.052 0.000 0.631 374 A CB -1.356 17.642 19.000 -0.004 0.000 0.822 374 A HN 0.595 nan 8.150 nan 0.000 0.447 375 A N -0.486 122.367 122.820 0.055 0.000 1.892 375 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 375 A C 2.042 179.672 177.584 0.076 0.000 1.188 375 A CA 2.079 54.148 52.037 0.053 0.000 0.631 375 A CB -0.656 18.356 19.000 0.021 0.000 0.822 375 A HN 0.695 nan 8.150 nan 0.000 0.447 376 E N -0.411 119.836 120.200 0.080 0.000 2.204 376 E HA -0.074 4.276 4.350 -0.000 0.000 0.195 376 E C 2.051 178.725 176.600 0.124 0.000 0.990 376 E CA 0.898 57.358 56.400 0.101 0.000 0.821 376 E CB -0.241 29.511 29.700 0.087 0.000 0.750 376 E HN 0.575 nan 8.360 nan 0.000 0.477 377 A N 0.269 123.170 122.820 0.135 0.000 1.873 377 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 377 A C 2.380 179.987 177.584 0.038 0.000 1.186 377 A CA 1.410 53.533 52.037 0.144 0.000 0.616 377 A CB -0.701 18.493 19.000 0.324 0.000 0.823 377 A HN 0.208 nan 8.150 nan 0.000 0.442 378 V N -0.134 119.866 119.914 0.143 0.000 2.255 378 V HA -0.263 3.857 4.120 -0.000 0.000 0.247 378 V C 2.607 178.834 176.094 0.222 0.000 1.051 378 V CA 2.115 64.507 62.300 0.154 0.000 1.018 378 V CB -0.958 31.013 31.823 0.246 0.000 0.641 378 V HN 0.379 nan 8.190 nan 0.000 0.445 379 V N 0.023 120.057 119.914 0.200 0.000 2.287 379 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 379 V C 2.433 178.702 176.094 0.292 0.000 1.053 379 V CA 2.307 64.764 62.300 0.262 0.000 1.027 379 V CB -0.821 31.116 31.823 0.189 0.000 0.646 379 V HN 0.567 nan 8.190 nan 0.000 0.447 380 L N 0.038 121.435 121.223 0.291 0.000 2.013 380 L HA -0.264 4.076 4.340 -0.000 0.000 0.212 380 L C 2.440 179.464 176.870 0.257 0.000 1.073 380 L CA 2.742 57.839 54.840 0.428 0.000 0.753 380 L CB -0.938 41.254 42.059 0.221 0.000 0.890 380 L HN 0.524 nan 8.230 nan 0.000 0.432 381 H N -1.534 117.458 119.070 -0.129 0.000 2.321 381 H HA -0.180 4.376 4.556 -0.000 0.000 0.300 381 H C 1.437 176.590 175.328 -0.291 0.000 1.087 381 H CA 2.351 58.167 56.048 -0.387 0.000 1.319 381 H CB -0.326 28.848 29.762 -0.981 0.000 1.379 381 H HN 0.504 nan 8.280 nan 0.000 0.501 382 Y N 0.147 120.425 120.300 -0.036 0.000 2.529 382 Y HA 0.149 4.699 4.550 -0.000 0.000 0.290 382 Y C 0.544 176.413 175.900 -0.052 0.000 1.177 382 Y CA 0.330 58.431 58.100 0.001 0.000 1.305 382 Y CB 0.033 38.643 38.460 0.250 0.000 1.047 382 Y HN 0.069 nan 8.280 nan 0.000 0.522 383 T N 0.094 114.590 114.554 -0.097 0.000 2.909 383 T HA 0.144 4.494 4.350 -0.000 0.000 0.286 383 T C -0.693 173.646 174.700 -0.602 0.000 1.002 383 T CA -0.700 61.128 62.100 -0.454 0.000 1.074 383 T CB 1.136 69.307 68.868 -1.161 0.000 0.984 383 T HN 0.073 nan 8.240 nan 0.000 0.495 384 D N 1.015 121.076 120.400 -0.565 0.000 2.412 384 D HA 0.249 4.888 4.640 -0.000 0.000 0.224 384 D C -0.038 175.982 176.300 -0.467 0.000 1.093 384 D CA -0.644 53.030 54.000 -0.543 0.000 0.850 384 D CB 0.414 40.712 40.800 -0.837 0.000 1.046 384 D HN 0.586 nan 8.370 nan 0.000 0.507 385 W N 2.992 124.213 121.300 -0.131 0.000 2.961 385 W HA 0.126 4.785 4.660 -0.000 0.000 0.240 385 W C 1.667 178.086 176.519 -0.167 0.000 1.305 385 W CA -0.348 56.930 57.345 -0.111 0.000 1.465 385 W CB 0.091 29.498 29.460 -0.088 0.000 1.135 385 W HN 0.472 nan 8.180 nan 0.000 0.688 386 L N -0.794 120.355 121.223 -0.124 0.000 2.209 386 L HA -0.016 4.324 4.340 -0.000 0.000 0.207 386 L C 0.105 176.615 176.870 -0.600 0.000 1.094 386 L CA 1.128 55.732 54.840 -0.393 0.000 0.790 386 L CB 0.015 41.720 42.059 -0.589 0.000 0.932 386 L HN 0.028 nan 8.230 nan 0.000 0.447 387 H N -1.972 117.051 119.070 -0.078 0.000 2.597 387 H HA 0.165 4.721 4.556 -0.000 0.000 0.225 387 H C -2.000 173.253 175.328 -0.125 0.000 1.422 387 H CA -1.190 54.808 56.048 -0.083 0.000 1.335 387 H CB 0.073 29.776 29.762 -0.098 0.000 1.783 387 H HN -0.022 nan 8.280 nan 0.000 0.513 388 P HA -0.147 nan 4.420 nan 0.000 0.231 388 P C 0.645 177.905 177.300 -0.066 0.000 1.158 388 P CA 1.102 64.115 63.100 -0.145 0.000 0.763 388 P CB 0.721 32.357 31.700 -0.108 0.000 0.805 389 E N -0.415 119.783 120.200 -0.004 0.000 2.413 389 E HA 0.007 4.357 4.350 -0.000 0.000 0.203 389 E C 0.292 176.885 176.600 -0.012 0.000 0.957 389 E CA 0.037 56.438 56.400 0.000 0.000 0.950 389 E CB -0.338 29.374 29.700 0.019 0.000 0.957 389 E HN 0.204 nan 8.360 nan 0.000 0.497 390 D N 3.079 123.480 120.400 0.002 0.000 2.479 390 D HA -0.069 4.571 4.640 -0.000 0.000 0.257 390 D C -1.265 175.010 176.300 -0.042 0.000 1.230 390 D CA -1.106 52.882 54.000 -0.021 0.000 0.912 390 D CB 1.044 41.828 40.800 -0.025 0.000 1.130 390 D HN -0.038 nan 8.370 nan 0.000 0.515 391 P HA -0.140 nan 4.420 nan 0.000 0.218 391 P C 1.234 178.455 177.300 -0.132 0.000 1.149 391 P CA 0.872 63.905 63.100 -0.112 0.000 0.817 391 P CB 0.270 31.900 31.700 -0.116 0.000 0.785 392 T N -0.521 113.976 114.554 -0.095 0.000 2.614 392 T HA -0.185 4.165 4.350 -0.000 0.000 0.263 392 T C 1.851 176.503 174.700 -0.079 0.000 1.055 392 T CA 1.893 63.944 62.100 -0.082 0.000 1.162 392 T CB -1.254 67.587 68.868 -0.045 0.000 0.863 392 T HN 0.295 nan 8.240 nan 0.000 0.414 393 H N 0.930 119.932 119.070 -0.114 0.000 2.387 393 H HA 0.033 4.589 4.556 -0.000 0.000 0.299 393 H C 2.006 177.217 175.328 -0.194 0.000 1.099 393 H CA 1.354 57.329 56.048 -0.123 0.000 1.315 393 H CB -0.529 29.159 29.762 -0.123 0.000 1.380 393 H HN 0.262 nan 8.280 nan 0.000 0.513 394 L N -0.067 120.923 121.223 -0.388 0.000 2.093 394 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 394 L C 2.910 179.579 176.870 -0.334 0.000 1.085 394 L CA 1.378 55.889 54.840 -0.549 0.000 0.755 394 L CB -0.490 41.357 42.059 -0.353 0.000 0.904 394 L HN 0.327 nan 8.230 nan 0.000 0.435 395 R N 0.754 121.151 120.500 -0.172 0.000 2.070 395 R HA -0.186 4.154 4.340 -0.000 0.000 0.232 395 R C 1.719 178.036 176.300 0.029 0.000 1.138 395 R CA 2.201 58.307 56.100 0.010 0.000 0.936 395 R CB -0.461 29.742 30.300 -0.161 0.000 0.839 395 R HN 0.266 nan 8.270 nan 0.000 0.429 396 D N 0.750 121.114 120.400 -0.061 0.000 2.116 396 D HA -0.169 4.471 4.640 -0.000 0.000 0.193 396 D C 1.810 178.071 176.300 -0.065 0.000 0.998 396 D CA 1.897 55.888 54.000 -0.015 0.000 0.836 396 D CB -0.415 40.370 40.800 -0.024 0.000 0.951 396 D HN 0.436 nan 8.370 nan 0.000 0.449 397 A N 0.474 123.139 122.820 -0.258 0.000 1.902 397 A HA -0.189 4.131 4.320 -0.000 0.000 0.217 397 A C 2.128 179.675 177.584 -0.061 0.000 1.181 397 A CA 1.949 53.845 52.037 -0.236 0.000 0.623 397 A CB -0.550 18.102 19.000 -0.579 0.000 0.818 397 A HN 0.193 nan 8.150 nan 0.000 0.443 398 M N 0.244 119.888 119.600 0.073 0.000 2.213 398 M HA -0.077 4.403 4.480 -0.000 0.000 0.263 398 M C 2.239 178.541 176.300 0.004 0.000 1.062 398 M CA 2.070 57.498 55.300 0.212 0.000 1.105 398 M CB -0.668 32.145 32.600 0.355 0.000 1.385 398 M HN 0.459 nan 8.290 nan 0.000 0.417 399 S N -0.093 115.610 115.700 0.004 0.000 2.355 399 S HA -0.058 4.412 4.470 -0.000 0.000 0.222 399 S C 2.128 176.736 174.600 0.013 0.000 1.031 399 S CA 1.470 59.691 58.200 0.034 0.000 0.993 399 S CB -0.699 62.588 63.200 0.145 0.000 0.859 399 S HN 0.603 nan 8.310 nan 0.000 0.453 400 A N 1.084 123.901 122.820 -0.005 0.000 1.940 400 A HA -0.009 4.311 4.320 -0.000 0.000 0.219 400 A C 2.383 179.875 177.584 -0.152 0.000 1.176 400 A CA 1.878 53.912 52.037 -0.005 0.000 0.631 400 A CB -1.203 17.859 19.000 0.103 0.000 0.814 400 A HN 0.501 nan 8.150 nan 0.000 0.446 401 V N -0.247 119.447 119.914 -0.368 0.000 2.255 401 V HA -0.268 3.852 4.120 -0.000 0.000 0.247 401 V C 2.574 178.574 176.094 -0.156 0.000 1.051 401 V CA 2.204 64.308 62.300 -0.327 0.000 1.018 401 V CB -0.921 30.793 31.823 -0.181 0.000 0.641 401 V HN 0.406 nan 8.190 nan 0.000 0.445 402 V N 0.810 120.654 119.914 -0.116 0.000 2.427 402 V HA -0.117 4.003 4.120 -0.000 0.000 0.248 402 V C 2.585 178.561 176.094 -0.197 0.000 1.051 402 V CA 2.003 64.228 62.300 -0.126 0.000 1.048 402 V CB -1.475 30.320 31.823 -0.047 0.000 0.666 402 V HN 0.593 nan 8.190 nan 0.000 0.456 403 G N 0.085 108.821 108.800 -0.107 0.000 2.414 403 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.215 403 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.215 403 G C 1.187 175.985 174.900 -0.170 0.000 1.188 403 G CA 1.008 46.057 45.100 -0.085 0.000 0.783 403 G HN 0.507 nan 8.290 nan 0.000 0.537 404 D N -0.367 119.940 120.400 -0.155 0.000 2.117 404 D HA -0.068 4.572 4.640 -0.000 0.000 0.198 404 D C 2.079 177.993 176.300 -0.643 0.000 0.982 404 D CA 1.239 55.102 54.000 -0.228 0.000 0.828 404 D CB -0.435 40.413 40.800 0.080 0.000 0.967 404 D HN 0.421 nan 8.370 nan 0.000 0.464 405 H N 0.895 119.345 119.070 -1.033 0.000 2.326 405 H HA 0.050 4.606 4.556 -0.000 0.000 0.301 405 H C 1.470 176.372 175.328 -0.711 0.000 1.081 405 H CA 1.694 56.968 56.048 -1.290 0.000 1.334 405 H CB -0.035 28.968 29.762 -1.266 0.000 1.385 405 H HN -0.001 nan 8.280 nan 0.000 0.504 406 N N -0.654 117.546 118.700 -0.833 0.000 2.415 406 N HA -0.011 4.729 4.740 -0.000 0.000 0.176 406 N C 1.107 176.340 175.510 -0.461 0.000 1.042 406 N CA 1.061 53.575 53.050 -0.894 0.000 0.902 406 N CB 1.105 38.536 38.487 -1.761 0.000 0.986 406 N HN 0.266 nan 8.380 nan 0.000 0.447 407 V N -0.465 119.243 119.914 -0.343 0.000 3.658 407 V HA 0.016 4.136 4.120 -0.000 0.000 0.197 407 V C 2.180 178.206 176.094 -0.114 0.000 1.295 407 V CA 0.161 62.388 62.300 -0.122 0.000 1.298 407 V CB -0.227 31.572 31.823 -0.041 0.000 1.347 407 V HN -0.187 nan 8.190 nan 0.000 0.548 408 V N 0.259 120.105 119.914 -0.114 0.000 2.282 408 V HA -0.338 3.782 4.120 -0.000 0.000 0.249 408 V C 2.459 178.490 176.094 -0.106 0.000 1.057 408 V CA 2.675 64.919 62.300 -0.093 0.000 1.032 408 V CB -0.990 30.804 31.823 -0.047 0.000 0.645 408 V HN 0.684 nan 8.190 nan 0.000 0.447 409 c N -0.574 117.946 118.600 -0.133 0.000 2.486 409 c HA 0.032 4.602 4.570 -0.000 0.000 0.279 409 c C 0.585 174.617 174.090 -0.097 0.000 1.302 409 c CA 0.880 57.160 56.329 -0.081 0.000 1.720 409 c CB -1.759 40.727 42.510 -0.041 0.000 2.030 409 c HN 0.446 nan 8.230 nan 0.000 0.490 410 P HA -0.064 nan 4.420 nan 0.000 0.219 410 P C 1.730 178.958 177.300 -0.120 0.000 1.146 410 P CA 1.236 64.247 63.100 -0.148 0.000 0.808 410 P CB -0.095 31.481 31.700 -0.207 0.000 0.779 411 V N 0.087 119.931 119.914 -0.117 0.000 2.270 411 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 411 V C 2.408 178.409 176.094 -0.154 0.000 1.043 411 V CA 2.261 64.485 62.300 -0.126 0.000 1.014 411 V CB -1.561 30.183 31.823 -0.132 0.000 0.645 411 V HN 0.082 nan 8.190 nan 0.000 0.447 412 A N -0.494 122.238 122.820 -0.147 0.000 1.940 412 A HA -0.328 3.992 4.320 -0.000 0.000 0.219 412 A C 2.129 179.678 177.584 -0.059 0.000 1.176 412 A CA 2.377 54.329 52.037 -0.141 0.000 0.631 412 A CB -0.558 18.404 19.000 -0.065 0.000 0.814 412 A HN 0.599 nan 8.150 nan 0.000 0.446 413 Q N -0.381 119.396 119.800 -0.038 0.000 1.993 413 Q HA -0.153 4.187 4.340 -0.000 0.000 0.202 413 Q C 1.892 177.886 176.000 -0.011 0.000 0.984 413 Q CA 2.038 57.837 55.803 -0.007 0.000 0.837 413 Q CB -0.640 28.082 28.738 -0.027 0.000 0.902 413 Q HN 0.495 nan 8.270 nan 0.000 0.423 414 L N 0.332 121.523 121.223 -0.054 0.000 2.042 414 L HA -0.082 4.258 4.340 -0.000 0.000 0.210 414 L C 2.184 179.026 176.870 -0.046 0.000 1.076 414 L CA 2.362 57.166 54.840 -0.060 0.000 0.749 414 L CB -1.128 40.874 42.059 -0.094 0.000 0.893 414 L HN 0.318 nan 8.230 nan 0.000 0.432 415 A N -0.541 122.225 122.820 -0.091 0.000 1.883 415 A HA -0.122 4.197 4.320 -0.000 0.000 0.217 415 A C 2.347 180.026 177.584 0.159 0.000 1.186 415 A CA 1.766 53.744 52.037 -0.098 0.000 0.624 415 A CB -1.653 17.040 19.000 -0.512 0.000 0.822 415 A HN 0.547 nan 8.150 nan 0.000 0.444 416 G N -0.615 108.315 108.800 0.217 0.000 2.421 416 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.216 416 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.216 416 G C 1.647 176.651 174.900 0.172 0.000 1.171 416 G CA 0.824 46.096 45.100 0.287 0.000 0.775 416 G HN 0.413 nan 8.290 nan 0.000 0.543 417 R N -0.201 120.373 120.500 0.124 0.000 2.081 417 R HA 0.059 4.399 4.340 -0.000 0.000 0.235 417 R C 2.471 178.883 176.300 0.186 0.000 1.131 417 R CA 0.423 56.603 56.100 0.134 0.000 0.960 417 R CB -1.262 29.108 30.300 0.117 0.000 0.856 417 R HN 0.317 nan 8.270 nan 0.000 0.436 418 L N 0.721 122.018 121.223 0.124 0.000 1.994 418 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 418 L C 2.461 179.434 176.870 0.173 0.000 1.071 418 L CA 1.994 56.895 54.840 0.101 0.000 0.745 418 L CB -1.362 40.659 42.059 -0.064 0.000 0.892 418 L HN 0.165 nan 8.230 nan 0.000 0.431 419 A N -0.727 122.186 122.820 0.155 0.000 1.892 419 A HA -0.225 4.095 4.320 -0.000 0.000 0.218 419 A C 2.443 180.093 177.584 0.111 0.000 1.188 419 A CA 2.184 54.304 52.037 0.138 0.000 0.631 419 A CB -1.061 18.044 19.000 0.174 0.000 0.822 419 A HN 0.440 nan 8.150 nan 0.000 0.447 420 A N -1.022 121.868 122.820 0.117 0.000 1.972 420 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 420 A C 1.763 179.402 177.584 0.091 0.000 1.169 420 A CA 1.468 53.557 52.037 0.087 0.000 0.635 420 A CB -0.359 18.692 19.000 0.084 0.000 0.810 420 A HN 0.672 nan 8.150 nan 0.000 0.446 421 Q N -1.466 118.423 119.800 0.148 0.000 2.286 421 Q HA 0.397 4.737 4.340 -0.000 0.000 0.281 421 Q C 0.886 176.963 176.000 0.128 0.000 0.897 421 Q CA 0.202 56.076 55.803 0.118 0.000 1.023 421 Q CB 0.292 29.089 28.738 0.098 0.000 1.151 421 Q HN 0.758 nan 8.270 nan 0.000 0.445 422 G N 0.502 109.370 108.800 0.114 0.000 2.308 422 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.221 422 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.221 422 G C 0.483 175.457 174.900 0.124 0.000 1.032 422 G CA -0.292 44.868 45.100 0.101 0.000 0.623 422 G HN 0.606 nan 8.290 nan 0.000 0.506 423 A N 0.717 123.648 122.820 0.185 0.000 2.492 423 A HA 0.554 4.874 4.320 -0.000 0.000 0.236 423 A C 0.745 178.383 177.584 0.091 0.000 1.078 423 A CA 0.610 52.736 52.037 0.148 0.000 0.773 423 A CB 0.217 19.298 19.000 0.134 0.000 1.023 423 A HN 0.451 nan 8.150 nan 0.000 0.504 424 R N 1.290 121.839 120.500 0.083 0.000 2.239 424 R HA 0.461 4.801 4.340 -0.000 0.000 0.332 424 R C -1.343 174.975 176.300 0.029 0.000 0.988 424 R CA -0.172 55.950 56.100 0.036 0.000 0.859 424 R CB 0.775 31.117 30.300 0.072 0.000 1.148 424 R HN 0.503 nan 8.270 nan 0.000 0.482 425 V N 5.110 124.995 119.914 -0.049 0.000 2.547 425 V HA 0.447 4.566 4.120 -0.000 0.000 0.299 425 V C -0.830 175.139 176.094 -0.207 0.000 1.040 425 V CA -0.722 61.566 62.300 -0.019 0.000 0.913 425 V CB 1.783 33.666 31.823 0.100 0.000 0.992 425 V HN 0.525 nan 8.190 nan 0.000 0.449 426 Y N 1.847 122.160 120.300 0.023 0.000 2.391 426 Y HA 0.757 5.307 4.550 -0.000 0.000 0.341 426 Y C 0.265 176.327 175.900 0.271 0.000 0.965 426 Y CA -0.431 57.691 58.100 0.036 0.000 1.067 426 Y CB 2.138 40.269 38.460 -0.549 0.000 1.199 426 Y HN 0.767 nan 8.280 nan 0.000 0.450 427 A N 3.448 126.707 122.820 0.732 0.000 2.413 427 A HA 0.900 5.220 4.320 -0.000 0.000 0.307 427 A C -1.809 176.118 177.584 0.570 0.000 1.087 427 A CA -0.668 51.655 52.037 0.476 0.000 0.750 427 A CB 1.238 20.306 19.000 0.114 0.000 1.296 427 A HN 0.771 nan 8.150 nan 0.000 0.423 428 Y N -0.935 119.529 120.300 0.274 0.000 2.655 428 Y HA 0.792 5.342 4.550 -0.000 0.000 0.336 428 Y C -1.269 174.738 175.900 0.178 0.000 1.154 428 Y CA -1.497 56.687 58.100 0.139 0.000 1.055 428 Y CB 1.423 39.933 38.460 0.083 0.000 1.295 428 Y HN 0.714 nan 8.280 nan 0.000 0.465 429 I N 2.846 123.632 120.570 0.360 0.000 2.500 429 I HA 0.386 4.556 4.170 -0.000 0.000 0.286 429 I C -1.870 174.531 176.117 0.472 0.000 1.063 429 I CA -0.878 60.594 61.300 0.287 0.000 1.062 429 I CB 0.951 39.067 38.000 0.193 0.000 1.223 429 I HN 0.723 nan 8.210 nan 0.000 0.435 430 F N 7.444 127.651 119.950 0.429 0.000 2.444 430 F HA 0.297 4.824 4.527 -0.000 0.000 0.360 430 F C 0.819 176.766 175.800 0.245 0.000 1.106 430 F CA 0.321 58.545 58.000 0.374 0.000 1.170 430 F CB 0.693 39.936 39.000 0.407 0.000 1.113 430 F HN 0.538 nan 8.300 nan 0.000 0.521 431 E N 2.877 122.936 120.200 -0.235 0.000 2.583 431 E HA -0.016 4.334 4.350 -0.000 0.000 0.213 431 E C -0.635 175.798 176.600 -0.279 0.000 0.989 431 E CA -0.153 56.150 56.400 -0.161 0.000 0.991 431 E CB 0.249 29.918 29.700 -0.052 0.000 1.040 431 E HN 0.559 nan 8.360 nan 0.000 0.481 432 H N 1.124 119.766 119.070 -0.713 0.000 2.502 432 H HA 0.264 4.820 4.556 -0.000 0.000 0.327 432 H C -0.461 174.732 175.328 -0.226 0.000 1.099 432 H CA -0.460 55.266 56.048 -0.538 0.000 1.323 432 H CB 0.701 29.966 29.762 -0.827 0.000 1.450 432 H HN -0.168 nan 8.280 nan 0.000 0.502 433 R N 3.862 123.876 120.500 -0.810 0.000 2.207 433 R HA 0.475 4.815 4.340 -0.000 0.000 0.334 433 R C -0.734 175.342 176.300 -0.373 0.000 1.013 433 R CA -0.758 55.117 56.100 -0.375 0.000 0.858 433 R CB 0.459 30.636 30.300 -0.205 0.000 1.094 433 R HN 0.835 nan 8.270 nan 0.000 0.457 434 A N 3.138 126.081 122.820 0.204 0.000 2.561 434 A HA -0.021 4.299 4.320 -0.000 0.000 0.251 434 A C 1.431 179.177 177.584 0.270 0.000 1.062 434 A CA 0.619 52.995 52.037 0.565 0.000 0.761 434 A CB 0.204 19.657 19.000 0.754 0.000 0.986 434 A HN 1.014 nan 8.150 nan 0.000 0.510 435 S N 2.078 117.952 115.700 0.290 0.000 2.419 435 S HA -0.191 4.279 4.470 -0.000 0.000 0.235 435 S C 1.421 176.044 174.600 0.038 0.000 1.019 435 S CA 1.808 60.089 58.200 0.134 0.000 0.982 435 S CB -0.881 62.415 63.200 0.159 0.000 0.789 435 S HN 1.355 nan 8.310 nan 0.000 0.490 436 T N -0.759 113.786 114.554 -0.016 0.000 3.219 436 T HA 0.353 4.703 4.350 -0.000 0.000 0.249 436 T C 0.315 174.984 174.700 -0.053 0.000 1.099 436 T CA -0.576 61.447 62.100 -0.130 0.000 0.988 436 T CB -0.465 68.168 68.868 -0.392 0.000 0.999 436 T HN 0.233 nan 8.240 nan 0.000 0.550 437 L N 4.017 125.260 121.223 0.032 0.000 2.455 437 L HA 0.310 4.650 4.340 -0.000 0.000 0.272 437 L C 1.426 178.298 176.870 0.003 0.000 1.174 437 L CA 0.518 55.383 54.840 0.042 0.000 0.869 437 L CB 0.787 42.892 42.059 0.075 0.000 1.130 437 L HN 0.432 nan 8.230 nan 0.000 0.474 438 T N -0.064 114.463 114.554 -0.046 0.000 3.107 438 T HA 0.092 4.442 4.350 -0.000 0.000 0.249 438 T C 0.332 175.124 174.700 0.153 0.000 1.096 438 T CA -0.299 61.791 62.100 -0.017 0.000 1.012 438 T CB -0.346 68.396 68.868 -0.210 0.000 0.977 438 T HN 0.437 nan 8.240 nan 0.000 0.527 439 W N 3.227 124.581 121.300 0.091 0.000 2.313 439 W HA 0.435 5.095 4.660 -0.000 0.000 0.328 439 W C -2.079 174.350 176.519 -0.149 0.000 1.197 439 W CA -2.704 54.649 57.345 0.014 0.000 1.235 439 W CB 0.460 29.839 29.460 -0.135 0.000 1.158 439 W HN -0.086 nan 8.180 nan 0.000 0.578 440 P HA -0.164 nan 4.420 nan 0.000 0.266 440 P C 0.556 177.782 177.300 -0.123 0.000 1.193 440 P CA 0.056 63.096 63.100 -0.101 0.000 0.770 440 P CB 0.888 32.460 31.700 -0.213 0.000 0.836 441 L N 3.699 124.927 121.223 0.009 0.000 2.261 441 L HA -0.108 4.232 4.340 -0.000 0.000 0.216 441 L C 2.224 179.167 176.870 0.122 0.000 1.114 441 L CA 1.296 56.168 54.840 0.053 0.000 0.777 441 L CB -1.450 40.656 42.059 0.078 0.000 0.910 441 L HN 0.607 nan 8.230 nan 0.000 0.440 442 W N -1.341 120.002 121.300 0.072 0.000 2.425 442 W HA -0.165 4.495 4.660 -0.000 0.000 0.277 442 W C 1.659 178.229 176.519 0.084 0.000 1.231 442 W CA 0.682 58.072 57.345 0.075 0.000 1.248 442 W CB -1.022 28.487 29.460 0.081 0.000 1.117 442 W HN 0.182 nan 8.180 nan 0.000 0.568 443 M N 1.496 120.920 119.600 -0.293 0.000 2.630 443 M HA 0.114 4.594 4.480 -0.000 0.000 0.254 443 M C 1.826 178.091 176.300 -0.058 0.000 1.092 443 M CA 1.422 56.512 55.300 -0.351 0.000 1.087 443 M CB -0.886 31.293 32.600 -0.702 0.000 1.453 443 M HN 0.207 nan 8.290 nan 0.000 0.509 444 G N 0.898 109.707 108.800 0.015 0.000 2.622 444 G HA2 -0.302 3.657 3.960 -0.000 0.000 0.307 444 G HA3 -0.302 3.657 3.960 -0.000 0.000 0.307 444 G C -0.039 174.885 174.900 0.041 0.000 1.226 444 G CA -0.008 45.121 45.100 0.049 0.000 0.997 444 G HN 0.259 nan 8.290 nan 0.000 0.551 445 V N 4.741 124.712 119.914 0.096 0.000 2.247 445 V HA 0.401 4.521 4.120 -0.000 0.000 0.262 445 V C -1.186 175.041 176.094 0.221 0.000 1.096 445 V CA -0.521 61.886 62.300 0.179 0.000 0.895 445 V CB 0.845 32.807 31.823 0.233 0.000 1.141 445 V HN 0.630 nan 8.190 nan 0.000 0.478 446 P HA 0.063 nan 4.420 nan 0.000 0.277 446 P C -0.192 177.324 177.300 0.360 0.000 1.276 446 P CA -0.437 62.783 63.100 0.199 0.000 0.788 446 P CB 0.578 32.261 31.700 -0.029 0.000 1.114 447 H N -0.463 118.669 119.070 0.105 0.000 3.184 447 H HA 0.258 4.814 4.556 -0.000 0.000 0.274 447 H C 1.519 176.737 175.328 -0.183 0.000 0.962 447 H CA 2.113 58.140 56.048 -0.035 0.000 1.441 447 H CB -1.107 28.557 29.762 -0.163 0.000 1.518 447 H HN 0.753 nan 8.280 nan 0.000 0.539 448 G N 3.953 112.561 108.800 -0.320 0.000 2.213 448 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.226 448 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.226 448 G C 0.367 175.149 174.900 -0.196 0.000 0.992 448 G CA 0.161 45.014 45.100 -0.412 0.000 0.632 448 G HN 0.596 nan 8.290 nan 0.000 0.511 449 Y N 1.881 122.318 120.300 0.229 0.000 2.627 449 Y HA 0.334 4.884 4.550 -0.000 0.000 0.339 449 Y C 2.005 178.091 175.900 0.309 0.000 1.137 449 Y CA 0.783 59.095 58.100 0.353 0.000 1.361 449 Y CB 0.238 38.938 38.460 0.399 0.000 1.180 449 Y HN 0.556 nan 8.280 nan 0.000 0.512 450 E N -0.879 119.329 120.200 0.013 0.000 2.391 450 E HA -0.000 4.350 4.350 -0.000 0.000 0.206 450 E C 1.602 178.100 176.600 -0.171 0.000 0.851 450 E CA 0.370 56.398 56.400 -0.621 0.000 1.059 450 E CB -0.531 28.435 29.700 -1.223 0.000 1.065 450 E HN 0.497 nan 8.360 nan 0.000 0.512 451 I N 3.322 123.889 120.570 -0.005 0.000 2.113 451 I HA -0.344 3.826 4.170 -0.000 0.000 0.242 451 I C 2.704 178.857 176.117 0.060 0.000 1.064 451 I CA 2.499 63.848 61.300 0.082 0.000 1.320 451 I CB -0.663 37.439 38.000 0.171 0.000 1.028 451 I HN 0.267 nan 8.210 nan 0.000 0.406 452 E N 0.823 121.030 120.200 0.011 0.000 2.331 452 E HA -0.229 4.121 4.350 -0.000 0.000 0.199 452 E C 1.907 178.325 176.600 -0.303 0.000 1.008 452 E CA 1.456 57.762 56.400 -0.157 0.000 0.843 452 E CB -0.404 29.206 29.700 -0.151 0.000 0.761 452 E HN 0.477 nan 8.360 nan 0.000 0.507 453 F N 0.899 120.746 119.950 -0.171 0.000 2.262 453 F HA 0.057 4.584 4.527 -0.000 0.000 0.292 453 F C 2.263 177.843 175.800 -0.366 0.000 1.081 453 F CA 0.176 58.028 58.000 -0.247 0.000 1.355 453 F CB -0.101 38.847 39.000 -0.088 0.000 1.069 453 F HN -0.049 nan 8.300 nan 0.000 0.506 454 I N -0.472 119.958 120.570 -0.233 0.000 2.208 454 I HA -0.296 3.874 4.170 -0.000 0.000 0.245 454 I C 2.141 178.002 176.117 -0.426 0.000 1.097 454 I CA 1.685 62.672 61.300 -0.523 0.000 1.363 454 I CB -1.451 36.145 38.000 -0.673 0.000 1.051 454 I HN 0.075 nan 8.210 nan 0.000 0.413 455 F N 0.908 120.652 119.950 -0.344 0.000 2.699 455 F HA 0.129 4.656 4.527 -0.000 0.000 0.298 455 F C 1.958 177.565 175.800 -0.322 0.000 1.154 455 F CA 0.982 58.803 58.000 -0.300 0.000 1.457 455 F CB -0.382 38.419 39.000 -0.332 0.000 1.106 455 F HN 0.315 nan 8.300 nan 0.000 0.585 456 G N -0.272 108.344 108.800 -0.307 0.000 2.143 456 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.249 456 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.249 456 G C 1.014 175.336 174.900 -0.964 0.000 0.981 456 G CA 0.361 45.178 45.100 -0.471 0.000 0.665 456 G HN 0.299 nan 8.290 nan 0.000 0.528 457 L N 0.576 121.200 121.223 -0.999 0.000 2.081 457 L HA -0.009 4.331 4.340 -0.000 0.000 0.212 457 L C 0.351 176.683 176.870 -0.897 0.000 1.080 457 L CA 2.747 56.927 54.840 -1.100 0.000 0.754 457 L CB -1.031 40.647 42.059 -0.635 0.000 0.893 457 L HN 0.214 nan 8.230 nan 0.000 0.433 458 P HA -0.133 nan 4.420 nan 0.000 0.226 458 P C 1.666 178.755 177.300 -0.353 0.000 1.146 458 P CA 1.060 63.601 63.100 -0.932 0.000 0.773 458 P CB 0.004 31.084 31.700 -1.032 0.000 0.772 459 L N -1.585 119.420 121.223 -0.363 0.000 2.313 459 L HA -0.005 4.335 4.340 -0.000 0.000 0.214 459 L C 1.028 177.913 176.870 0.026 0.000 1.119 459 L CA 0.484 55.253 54.840 -0.118 0.000 0.809 459 L CB -0.562 41.479 42.059 -0.030 0.000 0.933 459 L HN -0.061 nan 8.230 nan 0.000 0.449 460 D N 1.199 121.606 120.400 0.013 0.000 2.336 460 D HA 0.054 4.694 4.640 -0.000 0.000 0.249 460 D C -1.377 174.973 176.300 0.083 0.000 1.213 460 D CA -2.322 51.769 54.000 0.153 0.000 0.870 460 D CB 1.247 42.180 40.800 0.221 0.000 1.076 460 D HN -0.049 nan 8.370 nan 0.000 0.483 461 P HA -0.163 nan 4.420 nan 0.000 0.222 461 P C 1.362 178.688 177.300 0.044 0.000 1.147 461 P CA 0.561 63.694 63.100 0.055 0.000 0.790 461 P CB 0.315 32.041 31.700 0.043 0.000 0.780 462 S N -0.441 115.286 115.700 0.044 0.000 2.383 462 S HA -0.096 4.374 4.470 -0.000 0.000 0.229 462 S C 1.076 175.681 174.600 0.009 0.000 1.030 462 S CA 0.488 58.702 58.200 0.023 0.000 1.002 462 S CB -0.998 62.218 63.200 0.027 0.000 0.829 462 S HN 0.048 nan 8.310 nan 0.000 0.467 463 L N 1.922 123.163 121.223 0.030 0.000 2.395 463 L HA 0.285 4.625 4.340 -0.000 0.000 0.269 463 L C 0.548 177.403 176.870 -0.026 0.000 1.133 463 L CA -0.325 54.513 54.840 -0.003 0.000 0.812 463 L CB 0.338 42.455 42.059 0.095 0.000 1.125 463 L HN 0.205 nan 8.230 nan 0.000 0.452 464 N N 1.141 119.747 118.700 -0.158 0.000 2.441 464 N HA 0.075 4.815 4.740 -0.000 0.000 0.225 464 N C -0.717 174.699 175.510 -0.157 0.000 1.208 464 N CA -0.176 52.791 53.050 -0.138 0.000 0.847 464 N CB -0.084 38.323 38.487 -0.133 0.000 1.121 464 N HN 0.372 nan 8.380 nan 0.000 0.479 465 Y N 0.405 120.689 120.300 -0.027 0.000 2.258 465 Y HA 0.081 4.631 4.550 -0.000 0.000 0.345 465 Y C 1.798 177.713 175.900 0.026 0.000 1.303 465 Y CA -0.588 57.515 58.100 0.004 0.000 1.537 465 Y CB 0.283 38.719 38.460 -0.039 0.000 1.383 465 Y HN -0.009 nan 8.280 nan 0.000 0.606 466 T N -3.845 110.861 114.554 0.254 0.000 2.897 466 T HA 0.190 4.540 4.350 -0.000 0.000 0.278 466 T C 0.913 175.691 174.700 0.129 0.000 0.981 466 T CA -0.424 61.768 62.100 0.154 0.000 0.973 466 T CB 1.131 70.084 68.868 0.142 0.000 1.092 466 T HN 0.619 nan 8.240 nan 0.000 0.543 467 T N 0.575 115.181 114.554 0.087 0.000 2.746 467 T HA -0.069 4.281 4.350 -0.000 0.000 0.267 467 T C 1.815 176.556 174.700 0.069 0.000 1.039 467 T CA 1.645 63.784 62.100 0.066 0.000 1.142 467 T CB -0.386 68.511 68.868 0.048 0.000 0.866 467 T HN 0.731 nan 8.240 nan 0.000 0.444 468 E N 0.973 121.213 120.200 0.068 0.000 2.085 468 E HA -0.168 4.182 4.350 -0.000 0.000 0.194 468 E C 2.316 178.970 176.600 0.089 0.000 0.994 468 E CA 1.125 57.556 56.400 0.052 0.000 0.801 468 E CB -0.122 29.586 29.700 0.014 0.000 0.743 468 E HN 0.609 nan 8.360 nan 0.000 0.453 469 E N 0.360 120.638 120.200 0.131 0.000 2.153 469 E HA -0.180 4.170 4.350 -0.000 0.000 0.194 469 E C 2.148 178.852 176.600 0.174 0.000 0.988 469 E CA 0.451 57.000 56.400 0.248 0.000 0.811 469 E CB -0.034 29.889 29.700 0.373 0.000 0.746 469 E HN 0.114 nan 8.360 nan 0.000 0.466 470 R N 0.858 121.402 120.500 0.072 0.000 2.062 470 R HA -0.064 4.276 4.340 -0.000 0.000 0.229 470 R C 2.339 178.649 176.300 0.016 0.000 1.128 470 R CA 0.868 56.959 56.100 -0.014 0.000 0.960 470 R CB -0.131 30.167 30.300 -0.002 0.000 0.855 470 R HN 0.147 nan 8.270 nan 0.000 0.432 471 I N 0.534 121.140 120.570 0.059 0.000 2.264 471 I HA -0.304 3.866 4.170 -0.000 0.000 0.248 471 I C 2.230 178.403 176.117 0.095 0.000 1.111 471 I CA 1.124 62.460 61.300 0.059 0.000 1.382 471 I CB -0.345 37.695 38.000 0.068 0.000 1.060 471 I HN 0.180 nan 8.210 nan 0.000 0.418 472 F N 1.981 121.919 119.950 -0.019 0.000 2.075 472 F HA -0.204 4.323 4.527 -0.000 0.000 0.297 472 F C 2.518 178.335 175.800 0.028 0.000 1.113 472 F CA 1.374 59.372 58.000 -0.004 0.000 1.218 472 F CB -0.697 38.280 39.000 -0.038 0.000 0.984 472 F HN 0.004 nan 8.300 nan 0.000 0.472 473 A N 0.147 122.929 122.820 -0.063 0.000 1.948 473 A HA -0.270 4.050 4.320 -0.000 0.000 0.220 473 A C 2.143 179.592 177.584 -0.224 0.000 1.177 473 A CA 2.014 53.930 52.037 -0.201 0.000 0.636 473 A CB -0.922 17.940 19.000 -0.230 0.000 0.815 473 A HN 0.656 nan 8.150 nan 0.000 0.449 474 Q N -1.125 118.586 119.800 -0.147 0.000 2.020 474 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 474 Q C 2.417 178.309 176.000 -0.181 0.000 0.982 474 Q CA 1.575 57.300 55.803 -0.130 0.000 0.838 474 Q CB -0.238 28.456 28.738 -0.075 0.000 0.899 474 Q HN 0.671 nan 8.270 nan 0.000 0.423 475 R N 0.629 121.009 120.500 -0.201 0.000 2.103 475 R HA -0.155 4.185 4.340 -0.000 0.000 0.242 475 R C 2.241 178.242 176.300 -0.499 0.000 1.142 475 R CA 1.235 57.134 56.100 -0.334 0.000 0.960 475 R CB -0.177 30.007 30.300 -0.194 0.000 0.858 475 R HN 0.247 nan 8.270 nan 0.000 0.439 476 L N -0.415 120.606 121.223 -0.336 0.000 2.109 476 L HA -0.147 4.193 4.340 -0.000 0.000 0.207 476 L C 2.499 179.302 176.870 -0.113 0.000 1.086 476 L CA 1.159 55.896 54.840 -0.172 0.000 0.760 476 L CB -0.305 41.498 42.059 -0.427 0.000 0.910 476 L HN 0.291 nan 8.230 nan 0.000 0.437 477 M N -0.713 118.768 119.600 -0.198 0.000 2.213 477 M HA -0.166 4.314 4.480 -0.000 0.000 0.263 477 M C 2.263 178.550 176.300 -0.022 0.000 1.062 477 M CA 1.459 56.680 55.300 -0.131 0.000 1.105 477 M CB -0.199 32.313 32.600 -0.147 0.000 1.385 477 M HN 0.087 nan 8.290 nan 0.000 0.417 478 K N -0.233 120.117 120.400 -0.083 0.000 2.025 478 K HA -0.123 4.197 4.320 -0.000 0.000 0.207 478 K C 1.920 178.565 176.600 0.075 0.000 1.049 478 K CA 1.527 57.777 56.287 -0.061 0.000 0.933 478 K CB -0.361 32.035 32.500 -0.174 0.000 0.714 478 K HN 0.269 nan 8.250 nan 0.000 0.438 479 Y N 0.288 120.703 120.300 0.193 0.000 2.053 479 Y HA -0.273 4.277 4.550 -0.000 0.000 0.277 479 Y C 2.459 178.507 175.900 0.246 0.000 1.159 479 Y CA 0.935 59.185 58.100 0.251 0.000 1.125 479 Y CB -1.050 37.697 38.460 0.478 0.000 0.969 479 Y HN 0.237 nan 8.280 nan 0.000 0.492 480 W N 0.631 122.001 121.300 0.116 0.000 2.333 480 W HA -0.287 4.373 4.660 -0.000 0.000 0.316 480 W C 2.631 179.164 176.519 0.024 0.000 1.215 480 W CA 2.337 59.705 57.345 0.038 0.000 1.278 480 W CB -0.852 28.577 29.460 -0.050 0.000 1.154 480 W HN 0.266 nan 8.180 nan 0.000 0.486 481 T N -1.348 113.330 114.554 0.206 0.000 2.708 481 T HA -0.223 4.127 4.350 -0.000 0.000 0.266 481 T C 1.486 176.211 174.700 0.041 0.000 1.037 481 T CA 1.496 63.637 62.100 0.068 0.000 1.146 481 T CB -0.898 67.984 68.868 0.024 0.000 0.865 481 T HN -0.039 nan 8.240 nan 0.000 0.435 482 N N 0.976 119.714 118.700 0.062 0.000 2.137 482 N HA -0.079 4.661 4.740 -0.000 0.000 0.190 482 N C 1.433 176.930 175.510 -0.021 0.000 1.017 482 N CA 1.377 54.441 53.050 0.023 0.000 0.859 482 N CB -0.622 37.897 38.487 0.054 0.000 1.002 482 N HN 0.548 nan 8.380 nan 0.000 0.428 483 F N 1.440 121.300 119.950 -0.150 0.000 2.098 483 F HA 0.044 4.571 4.527 -0.000 0.000 0.294 483 F C 2.209 177.918 175.800 -0.151 0.000 1.107 483 F CA 1.306 59.164 58.000 -0.237 0.000 1.234 483 F CB -0.560 38.205 39.000 -0.392 0.000 1.002 483 F HN 0.012 nan 8.300 nan 0.000 0.472 484 A N 0.369 123.087 122.820 -0.170 0.000 2.076 484 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 484 A C 2.302 179.760 177.584 -0.210 0.000 1.160 484 A CA 1.810 53.722 52.037 -0.208 0.000 0.653 484 A CB -0.831 18.125 19.000 -0.073 0.000 0.801 484 A HN 0.553 nan 8.150 nan 0.000 0.455 485 R N -0.874 119.523 120.500 -0.171 0.000 2.075 485 R HA -0.041 4.298 4.340 -0.000 0.000 0.220 485 R C 1.946 178.148 176.300 -0.163 0.000 1.118 485 R CA 1.820 57.841 56.100 -0.132 0.000 0.986 485 R CB -0.092 30.162 30.300 -0.076 0.000 0.884 485 R HN 0.527 nan 8.270 nan 0.000 0.439 486 T N -4.341 110.101 114.554 -0.187 0.000 3.040 486 T HA 0.279 4.629 4.350 -0.000 0.000 0.266 486 T C 1.050 175.616 174.700 -0.224 0.000 1.005 486 T CA 0.334 62.334 62.100 -0.167 0.000 0.906 486 T CB 1.148 69.958 68.868 -0.098 0.000 1.082 486 T HN 0.409 nan 8.240 nan 0.000 0.531 487 G N 1.212 109.751 108.800 -0.434 0.000 2.143 487 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.249 487 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.249 487 G C -0.343 174.464 174.900 -0.156 0.000 0.981 487 G CA 0.172 44.967 45.100 -0.509 0.000 0.665 487 G HN 0.822 nan 8.290 nan 0.000 0.528 488 D N -0.751 119.554 120.400 -0.159 0.000 2.763 488 D HA 0.412 5.052 4.640 -0.000 0.000 0.235 488 D C -1.405 174.746 176.300 -0.249 0.000 1.334 488 D CA -1.420 52.441 54.000 -0.231 0.000 0.950 488 D CB 2.006 42.764 40.800 -0.069 0.000 1.433 488 D HN -0.004 nan 8.370 nan 0.000 0.580 489 P HA -0.055 nan 4.420 nan 0.000 0.234 489 P C -0.017 177.295 177.300 0.021 0.000 1.167 489 P CA 0.061 63.000 63.100 -0.270 0.000 0.763 489 P CB 0.400 31.634 31.700 -0.777 0.000 0.835 490 N N 1.125 119.798 118.700 -0.044 0.000 2.530 490 N HA 0.086 4.826 4.740 -0.000 0.000 0.273 490 N C 0.174 175.753 175.510 0.115 0.000 1.173 490 N CA 0.301 53.425 53.050 0.122 0.000 0.967 490 N CB 0.224 38.773 38.487 0.102 0.000 1.109 490 N HN 0.101 nan 8.380 nan 0.000 0.453 491 D N 2.411 122.900 120.400 0.148 0.000 2.389 491 D HA 0.074 4.714 4.640 -0.000 0.000 0.263 491 D C -1.429 174.913 176.300 0.070 0.000 1.255 491 D CA -1.057 52.997 54.000 0.091 0.000 0.914 491 D CB 0.064 40.916 40.800 0.087 0.000 1.116 491 D HN 0.297 nan 8.370 nan 0.000 0.502 492 P HA -0.163 nan 4.420 nan 0.000 0.211 492 P C 2.383 179.706 177.300 0.038 0.000 1.181 492 P CA 2.772 65.894 63.100 0.035 0.000 0.929 492 P CB 0.222 31.933 31.700 0.019 0.000 0.789 493 R N -0.147 120.373 120.500 0.032 0.000 2.070 493 R HA 0.024 4.364 4.340 -0.000 0.000 0.227 493 R C 1.707 178.030 176.300 0.038 0.000 1.147 493 R CA 2.131 58.249 56.100 0.031 0.000 0.924 493 R CB -2.245 28.069 30.300 0.024 0.000 0.827 493 R HN 0.407 nan 8.270 nan 0.000 0.431 494 D N 0.741 121.166 120.400 0.041 0.000 2.380 494 D HA 0.444 5.084 4.640 -0.000 0.000 0.270 494 D C 0.840 177.177 176.300 0.063 0.000 1.363 494 D CA 0.280 54.308 54.000 0.047 0.000 1.057 494 D CB -0.702 40.125 40.800 0.045 0.000 1.096 494 D HN 0.912 nan 8.370 nan 0.000 0.524 495 R N 1.008 121.543 120.500 0.059 0.000 4.054 495 R HA 0.511 4.851 4.340 -0.000 0.000 0.227 495 R C 1.890 178.231 176.300 0.069 0.000 1.902 495 R CA 0.879 57.020 56.100 0.068 0.000 1.590 495 R CB -1.712 28.623 30.300 0.058 0.000 1.245 495 R HN 0.968 nan 8.270 nan 0.000 0.647 496 K N 0.090 120.534 120.400 0.073 0.000 2.485 496 K HA 0.070 4.390 4.320 -0.000 0.000 0.221 496 K C 2.248 178.893 176.600 0.075 0.000 0.715 496 K CA 2.378 58.708 56.287 0.071 0.000 0.906 496 K CB -1.241 31.306 32.500 0.078 0.000 0.426 496 K HN 0.880 nan 8.250 nan 0.000 0.971 497 S N 0.582 116.335 115.700 0.088 0.000 3.036 497 S HA 0.335 4.805 4.470 -0.000 0.000 0.194 497 S C -1.549 173.112 174.600 0.102 0.000 0.797 497 S CA 0.384 58.635 58.200 0.084 0.000 0.822 497 S CB -0.275 62.970 63.200 0.075 0.000 0.810 497 S HN 0.682 nan 8.310 nan 0.000 0.629 498 P HA 0.552 nan 4.420 nan 0.000 0.287 498 P C -1.626 175.783 177.300 0.182 0.000 1.294 498 P CA 0.090 63.272 63.100 0.137 0.000 0.776 498 P CB 1.391 33.174 31.700 0.138 0.000 0.889 499 Q N 2.248 122.150 119.800 0.170 0.000 2.307 499 Q HA 0.321 4.661 4.340 -0.000 0.000 0.262 499 Q C -1.325 174.842 176.000 0.278 0.000 0.961 499 Q CA -0.313 55.619 55.803 0.215 0.000 0.882 499 Q CB 0.795 29.636 28.738 0.171 0.000 1.264 499 Q HN 0.473 nan 8.270 nan 0.000 0.446 500 W N 8.268 129.630 121.300 0.103 0.000 2.481 500 W HA 0.357 5.017 4.660 -0.000 0.000 0.320 500 W C -2.583 174.082 176.519 0.243 0.000 1.209 500 W CA -2.534 54.883 57.345 0.120 0.000 1.400 500 W CB 0.424 29.896 29.460 0.019 0.000 1.361 500 W HN 0.488 nan 8.180 nan 0.000 0.456 501 P HA 0.296 nan 4.420 nan 0.000 0.281 501 P C -2.678 174.822 177.300 0.334 0.000 1.249 501 P CA -1.781 61.544 63.100 0.376 0.000 0.810 501 P CB 1.284 33.114 31.700 0.217 0.000 1.008 502 P HA 0.104 nan 4.420 nan 0.000 0.271 502 P C -0.645 176.654 177.300 -0.001 0.000 1.218 502 P CA -0.003 62.906 63.100 -0.319 0.000 0.780 502 P CB 0.063 31.504 31.700 -0.432 0.000 0.901 503 Y N 2.908 123.175 120.300 -0.056 0.000 2.465 503 Y HA 0.310 4.860 4.550 -0.000 0.000 0.331 503 Y C 0.176 176.077 175.900 0.002 0.000 1.102 503 Y CA 0.515 58.642 58.100 0.045 0.000 1.358 503 Y CB 0.094 38.605 38.460 0.085 0.000 1.213 503 Y HN 0.356 nan 8.280 nan 0.000 0.525 504 T N 0.773 115.044 114.554 -0.471 0.000 2.887 504 T HA 0.241 4.591 4.350 -0.000 0.000 0.288 504 T C 0.993 175.368 174.700 -0.541 0.000 1.021 504 T CA -0.222 61.666 62.100 -0.354 0.000 1.000 504 T CB 1.398 70.158 68.868 -0.179 0.000 1.034 504 T HN 0.672 nan 8.240 nan 0.000 0.467 505 T N -0.192 114.187 114.554 -0.291 0.000 2.833 505 T HA -0.050 4.300 4.350 -0.000 0.000 0.269 505 T C 2.205 176.816 174.700 -0.148 0.000 1.054 505 T CA 0.908 62.889 62.100 -0.198 0.000 1.135 505 T CB -0.711 68.126 68.868 -0.051 0.000 0.869 505 T HN 0.810 nan 8.240 nan 0.000 0.466 506 A N 2.057 124.804 122.820 -0.123 0.000 1.832 506 A HA 0.433 4.753 4.320 -0.000 0.000 0.214 506 A C 2.751 180.289 177.584 -0.076 0.000 1.200 506 A CA 1.748 53.740 52.037 -0.074 0.000 0.610 506 A CB -1.341 17.628 19.000 -0.052 0.000 0.842 506 A HN 0.739 nan 8.150 nan 0.000 0.444 507 A N -2.220 120.539 122.820 -0.102 0.000 2.081 507 A HA 0.231 4.551 4.320 -0.000 0.000 0.214 507 A C 0.972 178.512 177.584 -0.074 0.000 1.158 507 A CA 0.910 52.906 52.037 -0.067 0.000 0.724 507 A CB -0.330 18.643 19.000 -0.045 0.000 0.826 507 A HN 0.594 nan 8.150 nan 0.000 0.463 508 Q N -0.187 119.472 119.800 -0.234 0.000 2.451 508 Q HA -0.221 4.119 4.340 -0.000 0.000 0.305 508 Q C -0.650 175.466 176.000 0.194 0.000 1.345 508 Q CA 0.882 56.540 55.803 -0.241 0.000 0.854 508 Q CB -1.672 27.098 28.738 0.054 0.000 1.162 508 Q HN 0.939 nan 8.270 nan 0.000 0.440 509 Q N 0.246 120.136 119.800 0.150 0.000 2.235 509 Q HA 0.620 4.960 4.340 -0.000 0.000 0.250 509 Q C -0.231 176.034 176.000 0.442 0.000 0.909 509 Q CA -0.601 55.343 55.803 0.234 0.000 0.910 509 Q CB 0.878 29.668 28.738 0.086 0.000 1.223 509 Q HN 0.332 nan 8.270 nan 0.000 0.432 510 Y N -1.490 118.930 120.300 0.200 0.000 2.677 510 Y HA 0.762 5.312 4.550 -0.000 0.000 0.334 510 Y C -1.068 174.795 175.900 -0.060 0.000 1.154 510 Y CA -1.504 56.674 58.100 0.130 0.000 1.070 510 Y CB 0.761 39.284 38.460 0.105 0.000 1.294 510 Y HN 0.512 nan 8.280 nan 0.000 0.475 511 V N -0.824 118.967 119.914 -0.204 0.000 2.960 511 V HA 0.813 4.933 4.120 -0.000 0.000 0.315 511 V C -0.312 175.697 176.094 -0.140 0.000 1.087 511 V CA -0.686 61.375 62.300 -0.398 0.000 0.982 511 V CB 1.390 32.702 31.823 -0.853 0.000 1.039 511 V HN 1.175 nan 8.190 nan 0.000 0.437 512 S N 2.816 118.444 115.700 -0.119 0.000 2.411 512 S HA 0.633 5.103 4.470 -0.000 0.000 0.294 512 S C -0.668 173.943 174.600 0.020 0.000 1.115 512 S CA -0.479 57.727 58.200 0.009 0.000 1.071 512 S CB 0.587 63.785 63.200 -0.002 0.000 0.967 512 S HN 0.658 nan 8.310 nan 0.000 0.488 513 L N 4.954 126.244 121.223 0.111 0.000 2.288 513 L HA 0.497 4.836 4.340 -0.000 0.000 0.283 513 L C 0.003 176.917 176.870 0.073 0.000 1.072 513 L CA 0.210 55.174 54.840 0.207 0.000 0.862 513 L CB -0.518 41.766 42.059 0.374 0.000 1.245 513 L HN 1.001 nan 8.230 nan 0.000 0.432 514 N N 1.246 119.951 118.700 0.009 0.000 3.316 514 N HA 0.400 5.140 4.740 -0.000 0.000 0.300 514 N C 0.459 175.613 175.510 -0.593 0.000 1.567 514 N CA -0.916 51.916 53.050 -0.363 0.000 0.821 514 N CB 0.585 38.952 38.487 -0.201 0.000 1.748 514 N HN 0.092 nan 8.380 nan 0.000 0.603 515 L N -0.777 120.047 121.223 -0.666 0.000 2.131 515 L HA 0.016 4.356 4.340 -0.000 0.000 0.210 515 L C 0.803 177.560 176.870 -0.189 0.000 1.092 515 L CA 1.155 55.675 54.840 -0.535 0.000 0.759 515 L CB -0.428 41.398 42.059 -0.388 0.000 0.903 515 L HN 0.470 nan 8.230 nan 0.000 0.435 516 K N -0.098 120.233 120.400 -0.115 0.000 2.149 516 K HA 0.189 4.509 4.320 -0.000 0.000 0.245 516 K C -2.082 174.531 176.600 0.023 0.000 1.024 516 K CA -1.712 54.557 56.287 -0.031 0.000 0.899 516 K CB -0.055 32.431 32.500 -0.023 0.000 1.038 516 K HN -0.179 nan 8.250 nan 0.000 0.496 517 P HA -0.037 nan 4.420 nan 0.000 0.271 517 P C -0.339 177.008 177.300 0.078 0.000 1.238 517 P CA -0.085 63.067 63.100 0.086 0.000 0.794 517 P CB 0.402 32.145 31.700 0.070 0.000 0.959 518 L N 1.062 122.349 121.223 0.107 0.000 2.514 518 L HA 0.032 4.371 4.340 -0.000 0.000 0.280 518 L C 0.942 177.813 176.870 0.001 0.000 1.223 518 L CA 0.859 55.726 54.840 0.045 0.000 0.864 518 L CB -0.089 41.999 42.059 0.049 0.000 1.118 518 L HN 0.462 nan 8.230 nan 0.000 0.494 519 E N 2.030 122.199 120.200 -0.052 0.000 2.234 519 E HA 0.382 4.732 4.350 -0.000 0.000 0.266 519 E C -1.437 175.082 176.600 -0.135 0.000 0.877 519 E CA -0.721 55.641 56.400 -0.064 0.000 0.758 519 E CB 2.268 31.938 29.700 -0.051 0.000 1.170 519 E HN 0.263 nan 8.360 nan 0.000 0.415 520 V N 4.658 124.499 119.914 -0.122 0.000 2.465 520 V HA 0.442 4.562 4.120 -0.000 0.000 0.279 520 V C 0.034 175.978 176.094 -0.249 0.000 1.045 520 V CA -0.222 61.971 62.300 -0.179 0.000 0.938 520 V CB 1.175 32.949 31.823 -0.083 0.000 0.986 520 V HN 0.637 nan 8.190 nan 0.000 0.467 521 R N 4.196 124.401 120.500 -0.492 0.000 2.686 521 R HA 0.635 4.975 4.340 -0.000 0.000 0.283 521 R C -0.906 175.099 176.300 -0.491 0.000 0.978 521 R CA -0.906 54.861 56.100 -0.556 0.000 0.897 521 R CB 2.662 32.471 30.300 -0.818 0.000 1.192 521 R HN 0.633 nan 8.270 nan 0.000 0.457 522 R N 0.774 121.211 120.500 -0.106 0.000 2.460 522 R HA 0.509 4.848 4.340 -0.000 0.000 0.303 522 R C -0.212 176.246 176.300 0.262 0.000 0.968 522 R CA -0.611 55.541 56.100 0.088 0.000 0.889 522 R CB 1.850 32.180 30.300 0.051 0.000 1.123 522 R HN 0.881 nan 8.270 nan 0.000 0.455 523 G N 2.356 111.378 108.800 0.370 0.000 3.316 523 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.445 523 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.445 523 G C -0.820 174.314 174.900 0.390 0.000 1.002 523 G CA -0.799 44.503 45.100 0.336 0.000 0.818 523 G HN 0.459 nan 8.290 nan 0.000 0.404 524 L N 2.994 124.345 121.223 0.213 0.000 2.375 524 L HA 0.700 5.040 4.340 -0.000 0.000 0.276 524 L C 1.206 178.069 176.870 -0.012 0.000 1.162 524 L CA -0.245 54.499 54.840 -0.161 0.000 0.991 524 L CB -0.019 41.801 42.059 -0.398 0.000 1.315 524 L HN 0.870 nan 8.230 nan 0.000 0.431 525 R N 2.673 123.216 120.500 0.071 0.000 3.422 525 R HA -0.262 4.078 4.340 -0.000 0.000 0.267 525 R C 1.243 177.636 176.300 0.155 0.000 1.074 525 R CA 0.798 56.976 56.100 0.129 0.000 0.718 525 R CB -1.670 28.700 30.300 0.117 0.000 1.157 525 R HN 0.819 nan 8.270 nan 0.000 0.440 526 A N -0.082 122.830 122.820 0.153 0.000 1.869 526 A HA -0.319 4.001 4.320 -0.000 0.000 0.218 526 A C 1.797 179.470 177.584 0.148 0.000 1.203 526 A CA 1.820 53.947 52.037 0.150 0.000 0.638 526 A CB -0.390 18.697 19.000 0.144 0.000 0.831 526 A HN 0.573 nan 8.150 nan 0.000 0.450 527 Q N -0.874 119.013 119.800 0.145 0.000 2.084 527 Q HA -0.084 4.256 4.340 -0.000 0.000 0.202 527 Q C 2.265 178.362 176.000 0.162 0.000 0.978 527 Q CA 2.235 58.120 55.803 0.137 0.000 0.844 527 Q CB -0.726 28.088 28.738 0.127 0.000 0.898 527 Q HN 0.719 nan 8.270 nan 0.000 0.426 528 T N -0.951 113.740 114.554 0.227 0.000 2.777 528 T HA -0.120 4.230 4.350 -0.000 0.000 0.266 528 T C 1.840 176.762 174.700 0.370 0.000 1.040 528 T CA 1.221 63.496 62.100 0.291 0.000 1.141 528 T CB -0.423 68.717 68.868 0.454 0.000 0.868 528 T HN 0.341 nan 8.240 nan 0.000 0.444 529 c N 1.597 120.389 118.600 0.320 0.000 2.448 529 c HA 0.297 4.867 4.570 -0.000 0.000 0.280 529 c C 3.117 177.344 174.090 0.228 0.000 1.398 529 c CA -0.041 56.475 56.329 0.312 0.000 1.774 529 c CB -1.410 41.216 42.510 0.193 0.000 1.888 529 c HN 0.642 nan 8.230 nan 0.000 0.519 530 A N 0.208 123.134 122.820 0.176 0.000 1.930 530 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 530 A C 1.843 179.501 177.584 0.124 0.000 1.175 530 A CA 1.397 53.513 52.037 0.131 0.000 0.627 530 A CB -0.723 18.343 19.000 0.109 0.000 0.815 530 A HN 0.523 nan 8.150 nan 0.000 0.443 531 F N -0.577 119.342 119.950 -0.052 0.000 2.075 531 F HA -0.166 4.360 4.527 -0.000 0.000 0.297 531 F C 1.930 177.678 175.800 -0.086 0.000 1.113 531 F CA 1.534 59.421 58.000 -0.189 0.000 1.218 531 F CB -0.784 37.826 39.000 -0.650 0.000 0.984 531 F HN 0.380 nan 8.300 nan 0.000 0.472 532 W N 0.821 121.916 121.300 -0.342 0.000 2.379 532 W HA -0.153 4.507 4.660 -0.000 0.000 0.307 532 W C 2.453 178.843 176.519 -0.216 0.000 1.200 532 W CA 1.148 58.275 57.345 -0.364 0.000 1.297 532 W CB -0.753 28.663 29.460 -0.073 0.000 1.140 532 W HN -0.029 nan 8.180 nan 0.000 0.507 533 N N 0.042 118.830 118.700 0.147 0.000 2.135 533 N HA -0.059 4.681 4.740 -0.000 0.000 0.186 533 N C 1.690 177.216 175.510 0.026 0.000 1.027 533 N CA 1.332 54.427 53.050 0.074 0.000 0.849 533 N CB -0.574 37.962 38.487 0.082 0.000 1.002 533 N HN 0.225 nan 8.380 nan 0.000 0.425 534 R N -0.846 119.677 120.500 0.039 0.000 2.064 534 R HA 0.107 4.447 4.340 -0.000 0.000 0.221 534 R C 1.893 178.221 176.300 0.047 0.000 1.136 534 R CA 0.595 56.724 56.100 0.049 0.000 0.980 534 R CB -0.333 30.019 30.300 0.087 0.000 0.876 534 R HN 0.163 nan 8.270 nan 0.000 0.437 535 F N 1.251 121.139 119.950 -0.103 0.000 2.164 535 F HA 0.066 4.592 4.527 -0.000 0.000 0.287 535 F C 2.044 177.735 175.800 -0.181 0.000 1.086 535 F CA 0.664 58.600 58.000 -0.106 0.000 1.249 535 F CB -0.381 38.598 39.000 -0.035 0.000 1.059 535 F HN -0.154 nan 8.300 nan 0.000 0.490 536 L N 1.755 122.689 121.223 -0.482 0.000 2.103 536 L HA -0.198 4.142 4.340 -0.000 0.000 0.215 536 L C -0.606 176.004 176.870 -0.433 0.000 1.080 536 L CA 2.246 56.715 54.840 -0.617 0.000 0.764 536 L CB -1.941 39.616 42.059 -0.836 0.000 0.890 536 L HN 0.175 nan 8.230 nan 0.000 0.435 537 P HA -0.160 nan 4.420 nan 0.000 0.219 537 P C 1.288 178.452 177.300 -0.228 0.000 1.150 537 P CA 1.366 64.348 63.100 -0.196 0.000 0.814 537 P CB -0.016 31.613 31.700 -0.119 0.000 0.787 538 K N -0.151 120.066 120.400 -0.305 0.000 2.025 538 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 538 K C 2.351 178.758 176.600 -0.321 0.000 1.049 538 K CA 0.836 56.960 56.287 -0.272 0.000 0.933 538 K CB -0.798 31.541 32.500 -0.268 0.000 0.714 538 K HN 0.076 nan 8.250 nan 0.000 0.438 539 L N 1.125 122.015 121.223 -0.554 0.000 2.079 539 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 539 L C 2.119 178.847 176.870 -0.237 0.000 1.081 539 L CA 0.858 55.437 54.840 -0.435 0.000 0.752 539 L CB -0.136 41.557 42.059 -0.611 0.000 0.896 539 L HN 0.217 nan 8.230 nan 0.000 0.433 540 L N -0.212 120.873 121.223 -0.231 0.000 2.017 540 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 540 L C 2.981 179.789 176.870 -0.103 0.000 1.073 540 L CA 2.346 57.105 54.840 -0.137 0.000 0.745 540 L CB -1.338 40.650 42.059 -0.118 0.000 0.894 540 L HN 0.490 nan 8.230 nan 0.000 0.432 541 S N -0.904 114.729 115.700 -0.111 0.000 2.406 541 S HA -0.079 4.391 4.470 -0.000 0.000 0.228 541 S C 2.134 176.691 174.600 -0.071 0.000 1.020 541 S CA 0.836 58.987 58.200 -0.082 0.000 0.965 541 S CB -0.401 62.751 63.200 -0.080 0.000 0.798 541 S HN 0.346 nan 8.310 nan 0.000 0.488 542 A N 2.382 125.152 122.820 -0.084 0.000 1.845 542 A HA -0.038 4.282 4.320 -0.000 0.000 0.215 542 A C 2.509 180.064 177.584 -0.047 0.000 1.195 542 A CA 2.153 54.152 52.037 -0.063 0.000 0.616 542 A CB -1.736 17.222 19.000 -0.070 0.000 0.832 542 A HN 0.799 nan 8.150 nan 0.000 0.443 543 T N -2.172 112.351 114.554 -0.052 0.000 3.194 543 T HA 0.341 4.691 4.350 -0.000 0.000 0.251 543 T C 0.459 175.138 174.700 -0.034 0.000 1.132 543 T CA 0.824 62.902 62.100 -0.036 0.000 1.028 543 T CB -1.532 67.317 68.868 -0.033 0.000 0.976 543 T HN 0.596 nan 8.240 nan 0.000 0.535 544 D N 2.091 122.466 120.400 -0.041 0.000 2.434 544 D HA 0.381 5.021 4.640 -0.000 0.000 0.252 544 D C 1.029 177.313 176.300 -0.028 0.000 1.185 544 D CA 0.167 54.145 54.000 -0.036 0.000 0.886 544 D CB -0.964 39.811 40.800 -0.041 0.000 1.148 544 D HN 0.780 nan 8.370 nan 0.000 0.483 545 T N -3.191 111.349 114.554 -0.024 0.000 3.795 545 T HA 0.154 4.504 4.350 -0.000 0.000 0.370 545 T C 1.211 175.902 174.700 -0.016 0.000 0.761 545 T CA 0.878 62.967 62.100 -0.019 0.000 1.923 545 T CB -3.113 65.744 68.868 -0.019 0.000 1.795 545 T HN 2.607 nan 8.240 nan 0.000 0.762 546 L N -4.728 116.486 121.223 -0.015 0.000 3.000 546 L HA 0.269 4.609 4.340 -0.000 0.000 0.682 546 L C 0.394 177.257 176.870 -0.012 0.000 1.047 546 L CA 1.445 56.278 54.840 -0.012 0.000 1.334 546 L CB -2.440 39.614 42.059 -0.009 0.000 1.859 546 L HN 2.373 nan 8.230 nan 0.000 0.890 547 D N 0.000 120.392 120.400 -0.013 0.000 6.856 547 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 547 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 547 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 547 D HN 0.000 nan 8.370 nan 0.000 0.683