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 2jgi_1_A 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 GEXAGAASVG 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 DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 0.000 176.614 176.600 0.024 0.000 1.382 1 E CA 0.000 56.419 56.400 0.031 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.304 109.117 108.800 0.022 0.000 2.698 2 G HA2 -0.219 3.744 3.960 0.005 0.000 0.200 2 G HA3 -0.219 3.744 3.960 0.005 0.000 0.200 2 G C 0.934 175.845 174.900 0.019 0.000 2.083 2 G CA 0.282 45.393 45.100 0.018 0.000 1.629 2 G HN 0.261 nan 8.290 nan 0.000 0.565 3 R N 2.192 122.703 120.500 0.019 0.000 2.246 3 R HA 0.316 4.659 4.340 0.005 0.000 0.199 3 R C 0.973 177.288 176.300 0.024 0.000 0.984 3 R CA 0.815 56.926 56.100 0.019 0.000 1.015 3 R CB -0.132 30.177 30.300 0.015 0.000 0.930 3 R HN 0.705 nan 8.270 nan 0.000 0.475 4 E N 1.215 121.433 120.200 0.029 0.000 2.404 4 E HA -0.038 4.315 4.350 0.005 0.000 0.261 4 E C -0.484 176.143 176.600 0.046 0.000 1.074 4 E CA -0.363 56.059 56.400 0.037 0.000 0.917 4 E CB 0.357 30.082 29.700 0.043 0.000 0.965 4 E HN -0.003 nan 8.360 nan 0.000 0.433 5 D N 3.024 123.458 120.400 0.057 0.000 2.451 5 D HA -0.038 4.605 4.640 0.005 0.000 0.254 5 D C -1.346 175.001 176.300 0.079 0.000 1.204 5 D CA -1.672 52.376 54.000 0.081 0.000 0.896 5 D CB 0.754 41.623 40.800 0.115 0.000 1.136 5 D HN 0.174 nan 8.370 nan 0.000 0.499 6 P HA -0.099 nan 4.420 nan 0.000 0.234 6 P C 0.887 178.210 177.300 0.038 0.000 1.167 6 P CA 0.497 63.623 63.100 0.043 0.000 0.763 6 P CB 0.488 32.201 31.700 0.022 0.000 0.835 7 Q N -0.595 119.225 119.800 0.033 0.000 2.451 7 Q HA 0.153 4.496 4.340 0.005 0.000 0.206 7 Q C 1.632 177.707 176.000 0.125 0.000 0.947 7 Q CA 0.526 56.319 55.803 -0.017 0.000 0.937 7 Q CB 0.077 28.646 28.738 -0.282 0.000 1.025 7 Q HN 0.407 nan 8.270 nan 0.000 0.511 8 L N -0.090 121.236 121.223 0.171 0.000 2.728 8 L HA 0.255 4.598 4.340 0.005 0.000 0.238 8 L C -0.048 177.035 176.870 0.354 0.000 1.143 8 L CA 0.020 55.004 54.840 0.240 0.000 0.937 8 L CB 0.536 42.663 42.059 0.113 0.000 1.225 8 L HN -0.062 nan 8.230 nan 0.000 0.507 9 L N 0.821 122.186 121.223 0.236 0.000 2.294 9 L HA 0.519 4.862 4.340 0.005 0.000 0.283 9 L C -0.748 176.166 176.870 0.072 0.000 1.015 9 L CA -0.386 54.558 54.840 0.174 0.000 0.831 9 L CB 1.815 43.934 42.059 0.100 0.000 1.217 9 L HN -0.226 nan 8.230 nan 0.000 0.420 10 V N 3.128 123.044 119.914 0.003 0.000 2.823 10 V HA 0.519 4.642 4.120 0.005 0.000 0.312 10 V C -0.345 175.650 176.094 -0.165 0.000 1.072 10 V CA -0.800 61.353 62.300 -0.245 0.000 0.937 10 V CB 2.664 34.048 31.823 -0.732 0.000 1.013 10 V HN 0.691 nan 8.190 nan 0.000 0.430 11 R N 2.297 122.675 120.500 -0.203 0.000 2.393 11 R HA 0.811 5.154 4.340 0.005 0.000 0.310 11 R C -0.950 175.253 176.300 -0.163 0.000 0.968 11 R CA -0.332 55.696 56.100 -0.121 0.000 0.867 11 R CB 1.743 31.975 30.300 -0.113 0.000 1.124 11 R HN 0.707 nan 8.270 nan 0.000 0.450 12 V N 1.746 121.634 119.914 -0.044 0.000 3.126 12 V HA 0.497 4.620 4.120 0.005 0.000 0.314 12 V C 1.021 177.065 176.094 -0.084 0.000 1.138 12 V CA -1.091 61.192 62.300 -0.028 0.000 1.034 12 V CB 1.709 33.680 31.823 0.247 0.000 1.075 12 V HN 0.853 nan 8.190 nan 0.000 0.442 13 R N 1.606 122.048 120.500 -0.096 0.000 2.185 13 R HA -0.050 4.293 4.340 0.005 0.000 0.247 13 R C 1.684 177.885 176.300 -0.165 0.000 1.159 13 R CA 2.416 58.449 56.100 -0.112 0.000 0.988 13 R CB -1.036 29.215 30.300 -0.082 0.000 0.871 13 R HN 1.064 nan 8.270 nan 0.000 0.458 14 G N -2.058 106.619 108.800 -0.206 0.000 2.880 14 G HA2 0.412 4.375 3.960 0.005 0.000 0.209 14 G HA3 0.412 4.375 3.960 0.005 0.000 0.209 14 G C 0.424 174.410 174.900 -1.524 0.000 1.157 14 G CA 0.277 45.019 45.100 -0.597 0.000 0.779 14 G HN 0.732 nan 8.290 nan 0.000 0.539 15 G N -0.742 107.450 108.800 -1.014 0.000 2.250 15 G HA2 -0.000 3.963 3.960 0.005 0.000 0.252 15 G HA3 -0.000 3.963 3.960 0.005 0.000 0.252 15 G C -1.065 173.725 174.900 -0.185 0.000 1.325 15 G CA -0.906 43.685 45.100 -0.849 0.000 1.091 15 G HN 0.325 nan 8.290 nan 0.000 0.476 16 Q N -0.105 119.768 119.800 0.122 0.000 2.243 16 Q HA 0.680 5.023 4.340 0.005 0.000 0.252 16 Q C -0.419 175.899 176.000 0.530 0.000 0.909 16 Q CA -0.174 55.809 55.803 0.300 0.000 0.922 16 Q CB 1.686 30.539 28.738 0.192 0.000 1.215 16 Q HN 0.455 nan 8.270 nan 0.000 0.427 17 L N 1.810 123.242 121.223 0.348 0.000 2.354 17 L HA 0.629 4.972 4.340 0.005 0.000 0.269 17 L C -0.405 176.634 176.870 0.283 0.000 1.005 17 L CA -0.852 54.178 54.840 0.318 0.000 0.819 17 L CB 2.042 44.306 42.059 0.342 0.000 1.311 17 L HN 0.477 nan 8.230 nan 0.000 0.423 18 R N 0.932 121.586 120.500 0.258 0.000 2.393 18 R HA 0.664 5.007 4.340 0.005 0.000 0.315 18 R C -0.341 176.090 176.300 0.217 0.000 0.952 18 R CA -0.347 55.895 56.100 0.237 0.000 0.842 18 R CB 1.623 31.998 30.300 0.126 0.000 1.163 18 R HN 0.797 nan 8.270 nan 0.000 0.450 19 G N 3.287 112.205 108.800 0.198 0.000 2.583 19 G HA2 0.468 4.431 3.960 0.005 0.000 0.280 19 G HA3 0.468 4.431 3.960 0.005 0.000 0.280 19 G C -0.985 173.754 174.900 -0.269 0.000 1.376 19 G CA -0.774 44.144 45.100 -0.304 0.000 1.043 19 G HN 0.602 nan 8.290 nan 0.000 0.538 20 I N -0.699 119.640 120.570 -0.385 0.000 2.619 20 I HA 0.459 4.632 4.170 0.005 0.000 0.292 20 I C -0.145 175.845 176.117 -0.211 0.000 1.100 20 I CA -1.072 60.088 61.300 -0.233 0.000 1.043 20 I CB 1.996 39.868 38.000 -0.214 0.000 1.239 20 I HN 0.404 nan 8.210 nan 0.000 0.420 21 R N 8.252 128.664 120.500 -0.146 0.000 2.242 21 R HA 0.454 4.797 4.340 0.005 0.000 0.334 21 R C -1.775 174.413 176.300 -0.186 0.000 1.071 21 R CA -0.294 55.692 56.100 -0.190 0.000 0.922 21 R CB 0.405 30.538 30.300 -0.278 0.000 1.023 21 R HN 0.666 nan 8.270 nan 0.000 0.458 22 L N 3.669 124.799 121.223 -0.154 0.000 2.331 22 L HA 0.369 4.712 4.340 0.005 0.000 0.275 22 L C -0.094 176.701 176.870 -0.124 0.000 1.022 22 L CA -1.100 53.672 54.840 -0.114 0.000 0.812 22 L CB 1.669 43.697 42.059 -0.053 0.000 1.257 22 L HN 0.411 nan 8.230 nan 0.000 0.435 23 K N 2.581 122.916 120.400 -0.107 0.000 2.285 23 K HA 0.549 4.872 4.320 0.005 0.000 0.286 23 K C -0.631 175.913 176.600 -0.093 0.000 1.072 23 K CA -0.051 56.178 56.287 -0.096 0.000 0.913 23 K CB 1.052 33.508 32.500 -0.074 0.000 1.067 23 K HN 0.600 nan 8.250 nan 0.000 0.479 24 A N 6.000 128.766 122.820 -0.091 0.000 2.299 24 A HA 0.562 4.885 4.320 0.005 0.000 0.332 24 A C -1.809 175.777 177.584 0.004 0.000 1.131 24 A CA -1.715 50.269 52.037 -0.089 0.000 0.844 24 A CB 0.504 19.425 19.000 -0.130 0.000 1.251 24 A HN 0.661 nan 8.150 nan 0.000 0.486 25 P HA -0.180 nan 4.420 nan 0.000 0.216 25 P C 1.277 178.605 177.300 0.047 0.000 1.167 25 P CA 2.434 65.586 63.100 0.086 0.000 0.914 25 P CB 0.134 31.915 31.700 0.135 0.000 0.793 26 G N -2.427 106.404 108.800 0.050 0.000 3.189 26 G HA2 0.466 4.429 3.960 0.005 0.000 0.225 26 G HA3 0.466 4.429 3.960 0.005 0.000 0.225 26 G C 0.453 175.368 174.900 0.024 0.000 1.159 26 G CA 0.447 45.568 45.100 0.034 0.000 0.763 26 G HN 0.654 nan 8.290 nan 0.000 0.549 27 G N -0.383 108.425 108.800 0.012 0.000 2.359 27 G HA2 0.364 4.327 3.960 0.005 0.000 0.293 27 G HA3 0.364 4.327 3.960 0.005 0.000 0.293 27 G C -3.426 171.458 174.900 -0.027 0.000 1.300 27 G CA -0.695 44.405 45.100 0.001 0.000 0.888 27 G HN 0.053 nan 8.290 nan 0.000 0.541 28 P HA 0.581 nan 4.420 nan 0.000 0.279 28 P C -0.124 177.159 177.300 -0.029 0.000 1.252 28 P CA -0.369 62.642 63.100 -0.147 0.000 0.811 28 P CB 1.781 33.237 31.700 -0.406 0.000 1.035 29 V N -1.706 118.189 119.914 -0.032 0.000 3.102 29 V HA 0.695 4.818 4.120 0.005 0.000 0.312 29 V C -0.506 175.663 176.094 0.125 0.000 1.135 29 V CA -0.948 61.419 62.300 0.111 0.000 1.022 29 V CB 1.769 33.657 31.823 0.108 0.000 1.056 29 V HN 0.453 nan 8.190 nan 0.000 0.436 30 S N 1.739 117.563 115.700 0.208 0.000 2.429 30 S HA 0.847 5.320 4.470 0.005 0.000 0.302 30 S C -0.007 174.536 174.600 -0.095 0.000 1.115 30 S CA -0.022 58.224 58.200 0.077 0.000 1.095 30 S CB 1.172 64.486 63.200 0.191 0.000 0.987 30 S HN 1.554 nan 8.310 nan 0.000 0.474 31 A N 3.080 125.674 122.820 -0.375 0.000 2.304 31 A HA 0.774 5.097 4.320 0.005 0.000 0.314 31 A C -0.995 176.123 177.584 -0.776 0.000 1.187 31 A CA -0.639 51.062 52.037 -0.560 0.000 0.810 31 A CB 0.209 18.900 19.000 -0.514 0.000 1.183 31 A HN 0.699 nan 8.150 nan 0.000 0.487 32 F N 2.994 122.767 119.950 -0.294 0.000 2.347 32 F HA 0.492 5.022 4.527 0.005 0.000 0.366 32 F C -0.121 175.463 175.800 -0.361 0.000 1.107 32 F CA -0.299 57.584 58.000 -0.194 0.000 1.058 32 F CB 1.235 40.252 39.000 0.029 0.000 1.236 32 F HN 0.331 nan 8.300 nan 0.000 0.456 33 L N 2.413 123.465 121.223 -0.285 0.000 2.329 33 L HA 0.692 5.035 4.340 0.005 0.000 0.279 33 L C 0.804 177.533 176.870 -0.234 0.000 1.014 33 L CA -0.964 53.628 54.840 -0.413 0.000 0.814 33 L CB 1.815 43.420 42.059 -0.756 0.000 1.257 33 L HN 0.834 nan 8.230 nan 0.000 0.424 34 G N 3.071 111.789 108.800 -0.137 0.000 2.182 34 G HA2 -0.249 3.713 3.960 0.005 0.000 0.248 34 G HA3 -0.249 3.713 3.960 0.005 0.000 0.248 34 G C -0.009 174.884 174.900 -0.011 0.000 1.042 34 G CA -0.377 44.658 45.100 -0.108 0.000 0.775 34 G HN 0.495 nan 8.290 nan 0.000 0.501 35 I N 2.195 122.775 120.570 0.017 0.000 2.598 35 I HA 0.191 4.364 4.170 0.005 0.000 0.284 35 I C -1.277 174.920 176.117 0.133 0.000 1.140 35 I CA -1.712 59.595 61.300 0.011 0.000 1.420 35 I CB 0.716 38.664 38.000 -0.088 0.000 1.387 35 I HN -0.003 nan 8.210 nan 0.000 0.553 36 P HA 0.047 nan 4.420 nan 0.000 0.281 36 P C -0.239 177.020 177.300 -0.069 0.000 1.252 36 P CA -0.027 63.011 63.100 -0.105 0.000 0.778 36 P CB 0.516 32.140 31.700 -0.128 0.000 0.895 37 F N 1.199 120.971 119.950 -0.296 0.000 2.682 37 F HA 0.738 5.268 4.527 0.005 0.000 0.308 37 F C 0.004 175.768 175.800 -0.059 0.000 1.093 37 F CA -0.710 57.156 58.000 -0.224 0.000 1.244 37 F CB 0.391 39.161 39.000 -0.384 0.000 1.052 37 F HN 0.339 nan 8.300 nan 0.000 0.573 38 A N 0.142 122.636 122.820 -0.543 0.000 2.589 38 A HA 0.470 4.793 4.320 0.005 0.000 0.296 38 A C -0.978 176.400 177.584 -0.343 0.000 1.062 38 A CA -0.811 50.959 52.037 -0.445 0.000 0.686 38 A CB 0.909 19.492 19.000 -0.694 0.000 1.282 38 A HN 0.083 nan 8.150 nan 0.000 0.404 39 E N 1.646 121.734 120.200 -0.186 0.000 2.415 39 E HA 0.194 4.547 4.350 0.005 0.000 0.263 39 E C -2.277 174.215 176.600 -0.180 0.000 0.995 39 E CA -1.077 55.242 56.400 -0.135 0.000 0.915 39 E CB 0.085 29.747 29.700 -0.063 0.000 0.951 39 E HN 0.252 nan 8.360 nan 0.000 0.449 40 P HA -0.010 nan 4.420 nan 0.000 0.260 40 P C -2.163 175.063 177.300 -0.124 0.000 1.185 40 P CA -0.767 62.236 63.100 -0.163 0.000 0.763 40 P CB -0.042 31.602 31.700 -0.093 0.000 0.776 41 P HA -0.015 nan 4.420 nan 0.000 0.237 41 P C 0.072 177.313 177.300 -0.098 0.000 1.723 41 P CA 0.169 63.204 63.100 -0.109 0.000 0.882 41 P CB -0.168 31.465 31.700 -0.113 0.000 1.810 42 V N -2.339 117.527 119.914 -0.081 0.000 3.234 42 V HA 0.837 4.960 4.120 0.005 0.000 0.317 42 V C 0.986 177.043 176.094 -0.063 0.000 1.081 42 V CA 0.467 62.723 62.300 -0.072 0.000 1.037 42 V CB 0.617 32.408 31.823 -0.053 0.000 1.148 42 V HN 0.532 nan 8.190 nan 0.000 0.453 43 G N 2.528 111.293 108.800 -0.057 0.000 2.611 43 G HA2 -0.350 3.613 3.960 0.005 0.000 0.301 43 G HA3 -0.350 3.613 3.960 0.005 0.000 0.301 43 G C 1.160 176.037 174.900 -0.039 0.000 1.233 43 G CA 1.647 46.724 45.100 -0.039 0.000 0.993 43 G HN 2.438 nan 8.290 nan 0.000 0.553 44 S N 0.418 116.107 115.700 -0.019 0.000 2.584 44 S HA -0.013 4.460 4.470 0.005 0.000 0.240 44 S C 1.862 176.457 174.600 -0.008 0.000 0.975 44 S CA 1.700 59.898 58.200 -0.004 0.000 0.949 44 S CB -0.059 63.144 63.200 0.004 0.000 0.761 44 S HN 0.635 nan 8.310 nan 0.000 0.536 45 R N 0.922 121.401 120.500 -0.034 0.000 2.280 45 R HA 0.242 4.585 4.340 0.005 0.000 0.195 45 R C 0.893 177.150 176.300 -0.072 0.000 0.935 45 R CA -0.105 55.972 56.100 -0.039 0.000 1.033 45 R CB -0.297 29.974 30.300 -0.049 0.000 0.964 45 R HN 0.497 nan 8.270 nan 0.000 0.489 46 R N 0.740 121.155 120.500 -0.142 0.000 2.570 46 R HA -0.093 4.250 4.340 0.005 0.000 0.277 46 R C -0.225 175.877 176.300 -0.330 0.000 1.039 46 R CA 0.485 56.369 56.100 -0.360 0.000 1.065 46 R CB 0.101 30.051 30.300 -0.583 0.000 0.964 46 R HN 0.059 nan 8.270 nan 0.000 0.428 47 F N -0.727 119.209 119.950 -0.024 0.000 2.619 47 F HA -0.292 4.238 4.527 0.005 0.000 0.425 47 F C 0.119 175.888 175.800 -0.052 0.000 0.575 47 F CA 0.610 58.571 58.000 -0.065 0.000 1.289 47 F CB -1.401 37.547 39.000 -0.087 0.000 1.859 47 F HN 0.459 nan 8.300 nan 0.000 0.280 48 M N 1.292 120.942 119.600 0.083 0.000 2.342 48 M HA 0.398 4.881 4.480 0.005 0.000 0.332 48 M C -1.950 174.363 176.300 0.022 0.000 1.166 48 M CA -1.439 53.893 55.300 0.053 0.000 1.086 48 M CB 0.711 33.331 32.600 0.034 0.000 1.541 48 M HN -0.347 nan 8.290 nan 0.000 0.462 49 P HA 0.126 nan 4.420 nan 0.000 0.268 49 P C -2.443 174.867 177.300 0.017 0.000 1.208 49 P CA -0.585 62.534 63.100 0.032 0.000 0.777 49 P CB -0.550 31.182 31.700 0.053 0.000 0.875 50 P HA 0.184 nan 4.420 nan 0.000 0.275 50 P C -0.619 176.685 177.300 0.007 0.000 1.228 50 P CA 0.062 63.153 63.100 -0.015 0.000 0.786 50 P CB 0.827 32.514 31.700 -0.021 0.000 0.927 51 E N 3.236 123.426 120.200 -0.016 0.000 2.191 51 E HA 0.301 4.654 4.350 0.005 0.000 0.278 51 E C -2.044 174.559 176.600 0.005 0.000 0.972 51 E CA -2.376 54.028 56.400 0.007 0.000 0.804 51 E CB 0.581 30.284 29.700 0.004 0.000 1.110 51 E HN 0.380 nan 8.360 nan 0.000 0.394 52 P HA -0.132 nan 4.420 nan 0.000 0.264 52 P C -0.576 176.765 177.300 0.067 0.000 1.179 52 P CA 0.114 63.267 63.100 0.088 0.000 0.763 52 P CB 0.437 32.207 31.700 0.116 0.000 0.806 53 K N 3.966 124.422 120.400 0.093 0.000 2.416 53 K HA 0.051 4.374 4.320 0.005 0.000 0.283 53 K C 0.093 176.783 176.600 0.150 0.000 1.037 53 K CA 0.229 56.576 56.287 0.100 0.000 0.995 53 K CB 0.054 32.639 32.500 0.142 0.000 0.938 53 K HN 0.241 nan 8.250 nan 0.000 0.475 54 R N 5.440 126.011 120.500 0.118 0.000 2.442 54 R HA 0.161 4.504 4.340 0.005 0.000 0.291 54 R C -2.011 174.378 176.300 0.148 0.000 1.069 54 R CA -1.654 54.508 56.100 0.103 0.000 1.022 54 R CB 0.261 30.604 30.300 0.072 0.000 0.976 54 R HN 0.578 nan 8.270 nan 0.000 0.443 55 P HA -0.128 nan 4.420 nan 0.000 0.263 55 P C -1.032 176.283 177.300 0.025 0.000 1.175 55 P CA 0.260 63.309 63.100 -0.083 0.000 0.761 55 P CB 0.273 31.871 31.700 -0.169 0.000 0.794 56 W N 1.998 123.332 121.300 0.056 0.000 2.481 56 W HA 0.676 5.339 4.660 0.005 0.000 0.369 56 W C -0.457 176.087 176.519 0.042 0.000 1.235 56 W CA -0.835 56.539 57.345 0.049 0.000 1.344 56 W CB -0.048 29.448 29.460 0.061 0.000 1.360 56 W HN 0.380 nan 8.180 nan 0.000 0.658 57 S N 0.800 116.664 115.700 0.274 0.000 2.621 57 S HA 0.854 5.327 4.470 0.005 0.000 0.302 57 S C 0.311 175.080 174.600 0.281 0.000 1.093 57 S CA -0.126 58.170 58.200 0.159 0.000 1.017 57 S CB 1.024 64.275 63.200 0.085 0.000 1.077 57 S HN 2.123 nan 8.310 nan 0.000 0.517 58 G N 0.241 109.150 108.800 0.181 0.000 2.593 58 G HA2 -0.129 3.834 3.960 0.005 0.000 0.237 58 G HA3 -0.129 3.834 3.960 0.005 0.000 0.237 58 G C -0.722 174.350 174.900 0.286 0.000 1.312 58 G CA -0.312 44.898 45.100 0.184 0.000 0.896 58 G HN 1.560 nan 8.290 nan 0.000 0.574 59 V N 0.624 120.670 119.914 0.220 0.000 2.427 59 V HA 0.586 4.709 4.120 0.005 0.000 0.286 59 V C 0.489 176.679 176.094 0.161 0.000 1.034 59 V CA -0.397 62.042 62.300 0.231 0.000 0.893 59 V CB 1.387 33.297 31.823 0.146 0.000 0.982 59 V HN 0.848 nan 8.190 nan 0.000 0.452 60 L N 4.272 125.574 121.223 0.131 0.000 2.292 60 L HA 0.434 4.777 4.340 0.005 0.000 0.284 60 L C 0.101 176.949 176.870 -0.037 0.000 1.065 60 L CA 0.032 54.798 54.840 -0.125 0.000 0.806 60 L CB 1.211 42.951 42.059 -0.533 0.000 1.175 60 L HN 0.768 nan 8.230 nan 0.000 0.431 61 D N 4.125 124.486 120.400 -0.065 0.000 2.342 61 D HA 0.358 5.001 4.640 0.005 0.000 0.260 61 D C -0.097 176.158 176.300 -0.075 0.000 1.278 61 D CA 0.252 54.223 54.000 -0.048 0.000 0.910 61 D CB 0.878 41.641 40.800 -0.062 0.000 1.079 61 D HN 0.663 nan 8.370 nan 0.000 0.496 62 A N 3.437 126.243 122.820 -0.023 0.000 3.213 62 A HA 0.253 4.576 4.320 0.005 0.000 0.308 62 A C 1.052 178.562 177.584 -0.123 0.000 1.177 62 A CA -0.333 51.681 52.037 -0.037 0.000 1.010 62 A CB -0.195 18.880 19.000 0.125 0.000 1.092 62 A HN 0.614 nan 8.150 nan 0.000 0.583 63 T N -3.422 111.033 114.554 -0.164 0.000 2.985 63 T HA 0.249 4.602 4.350 0.005 0.000 0.254 63 T C 0.715 175.257 174.700 -0.263 0.000 1.021 63 T CA 0.784 62.759 62.100 -0.208 0.000 0.957 63 T CB -0.099 68.683 68.868 -0.143 0.000 1.047 63 T HN 0.732 nan 8.240 nan 0.000 0.511 64 T N -0.293 114.104 114.554 -0.263 0.000 2.909 64 T HA 0.690 5.043 4.350 0.005 0.000 0.299 64 T C -0.776 173.756 174.700 -0.281 0.000 1.073 64 T CA -0.885 61.054 62.100 -0.268 0.000 0.999 64 T CB 1.060 69.840 68.868 -0.146 0.000 1.098 64 T HN 0.015 nan 8.240 nan 0.000 0.477 65 F N 2.311 122.188 119.950 -0.122 0.000 2.602 65 F HA 0.276 4.806 4.527 0.005 0.000 0.367 65 F C 1.545 177.240 175.800 -0.175 0.000 1.126 65 F CA 0.024 57.950 58.000 -0.122 0.000 1.321 65 F CB 0.434 39.393 39.000 -0.067 0.000 1.094 65 F HN 0.498 nan 8.300 nan 0.000 0.594 66 Q N 1.369 121.156 119.800 -0.022 0.000 2.173 66 Q HA 0.233 4.576 4.340 0.005 0.000 0.186 66 Q C -0.192 175.738 176.000 -0.116 0.000 1.018 66 Q CA -0.819 54.834 55.803 -0.250 0.000 1.064 66 Q CB 0.512 28.797 28.738 -0.755 0.000 1.130 66 Q HN 0.509 nan 8.270 nan 0.000 0.553 67 N N -0.156 118.456 118.700 -0.147 0.000 2.374 67 N HA 0.026 4.769 4.740 0.005 0.000 0.241 67 N C -0.502 175.001 175.510 -0.011 0.000 1.262 67 N CA 0.128 53.142 53.050 -0.060 0.000 0.880 67 N CB 0.332 38.802 38.487 -0.030 0.000 1.105 67 N HN 0.161 nan 8.380 nan 0.000 0.438 68 V N 1.415 121.290 119.914 -0.064 0.000 2.567 68 V HA 0.136 4.259 4.120 0.005 0.000 0.289 68 V C 0.550 176.588 176.094 -0.092 0.000 1.049 68 V CA -0.870 61.381 62.300 -0.082 0.000 0.969 68 V CB 1.240 32.978 31.823 -0.142 0.000 0.995 68 V HN 0.724 nan 8.190 nan 0.000 0.471 69 c N 3.709 122.272 118.600 -0.062 0.000 2.679 69 c HA 0.110 4.683 4.570 0.005 0.000 0.417 69 c C 0.473 174.487 174.090 -0.127 0.000 1.302 69 c CA -0.598 55.686 56.329 -0.075 0.000 1.973 69 c CB -0.978 41.517 42.510 -0.025 0.000 2.715 69 c HN 0.749 nan 8.230 nan 0.000 0.628 70 Y N 3.534 123.641 120.300 -0.321 0.000 2.729 70 Y HA 0.219 4.772 4.550 0.005 0.000 0.331 70 Y C 0.894 176.723 175.900 -0.119 0.000 1.208 70 Y CA 0.908 58.807 58.100 -0.335 0.000 1.521 70 Y CB 0.087 38.123 38.460 -0.707 0.000 1.233 70 Y HN 0.732 nan 8.280 nan 0.000 0.539 71 Q N 3.976 123.845 119.800 0.116 0.000 2.534 71 Q HA 0.252 4.595 4.340 0.005 0.000 0.290 71 Q C -1.766 174.445 176.000 0.352 0.000 0.991 71 Q CA -1.279 54.711 55.803 0.312 0.000 0.783 71 Q CB 1.457 30.330 28.738 0.225 0.000 1.470 71 Q HN 0.658 nan 8.270 nan 0.000 0.406 72 Y N 1.262 121.787 120.300 0.375 0.000 2.544 72 Y HA 0.343 4.896 4.550 0.005 0.000 0.330 72 Y C -0.940 175.121 175.900 0.268 0.000 1.136 72 Y CA -0.146 58.171 58.100 0.361 0.000 1.417 72 Y CB 0.836 39.629 38.460 0.555 0.000 1.229 72 Y HN 0.430 nan 8.280 nan 0.000 0.532 73 V N 7.109 126.745 119.914 -0.463 0.000 2.432 73 V HA 0.060 4.183 4.120 0.005 0.000 0.275 73 V C -0.134 175.463 176.094 -0.828 0.000 1.043 73 V CA -0.735 61.300 62.300 -0.442 0.000 0.925 73 V CB 1.155 32.841 31.823 -0.227 0.000 0.985 73 V HN 0.809 nan 8.190 nan 0.000 0.466 74 D N 3.417 123.576 120.400 -0.402 0.000 2.389 74 D HA 0.265 4.908 4.640 0.005 0.000 0.247 74 D C 0.818 177.080 176.300 -0.064 0.000 1.128 74 D CA 0.386 54.298 54.000 -0.147 0.000 0.884 74 D CB 1.181 42.121 40.800 0.233 0.000 1.194 74 D HN 0.737 nan 8.370 nan 0.000 0.441 75 T N 1.283 115.826 114.554 -0.020 0.000 3.332 75 T HA 0.046 4.399 4.350 0.005 0.000 0.304 75 T C 1.330 176.000 174.700 -0.050 0.000 0.971 75 T CA -0.486 61.604 62.100 -0.016 0.000 0.954 75 T CB -0.230 68.618 68.868 -0.035 0.000 1.175 75 T HN 0.258 nan 8.240 nan 0.000 0.519 76 L N 1.033 122.203 121.223 -0.090 0.000 2.013 76 L HA 0.132 4.475 4.340 0.005 0.000 0.212 76 L C -0.272 176.278 176.870 -0.534 0.000 1.073 76 L CA 1.758 56.359 54.840 -0.398 0.000 0.753 76 L CB -0.444 41.236 42.059 -0.632 0.000 0.890 76 L HN 0.487 nan 8.230 nan 0.000 0.432 77 Y N -0.523 119.787 120.300 0.018 0.000 2.705 77 Y HA 0.430 4.983 4.550 0.005 0.000 0.355 77 Y C -2.191 173.744 175.900 0.058 0.000 1.039 77 Y CA -3.429 54.668 58.100 -0.005 0.000 1.233 77 Y CB -0.090 38.322 38.460 -0.081 0.000 1.103 77 Y HN 0.047 nan 8.280 nan 0.000 0.624 78 P HA 0.052 nan 4.420 nan 0.000 0.263 78 P C 1.095 178.452 177.300 0.095 0.000 1.175 78 P CA 1.914 65.066 63.100 0.086 0.000 0.761 78 P CB 0.766 32.490 31.700 0.040 0.000 0.794 79 G N 2.509 111.350 108.800 0.068 0.000 2.304 79 G HA2 -0.311 3.652 3.960 0.005 0.000 0.252 79 G HA3 -0.311 3.652 3.960 0.005 0.000 0.252 79 G C 0.102 175.044 174.900 0.071 0.000 1.014 79 G CA -0.248 44.880 45.100 0.046 0.000 0.619 79 G HN 0.551 nan 8.290 nan 0.000 0.525 80 F N 2.857 122.763 119.950 -0.074 0.000 2.466 80 F HA 0.530 5.060 4.527 0.004 0.000 0.363 80 F C 1.473 177.171 175.800 -0.171 0.000 1.109 80 F CA -0.359 57.548 58.000 -0.155 0.000 1.161 80 F CB 0.939 39.825 39.000 -0.190 0.000 1.117 80 F HN 0.317 nan 8.300 nan 0.000 0.539 81 E N 3.916 123.789 120.200 -0.545 0.000 2.208 81 E HA -0.206 4.147 4.350 0.005 0.000 0.202 81 E C 2.192 178.305 176.600 -0.813 0.000 1.014 81 E CA 1.987 58.037 56.400 -0.583 0.000 0.819 81 E CB -0.379 29.032 29.700 -0.483 0.000 0.735 81 E HN 0.905 nan 8.360 nan 0.000 0.469 82 G N -0.851 106.882 108.800 -1.779 0.000 2.422 82 G HA2 -0.306 3.657 3.960 0.005 0.000 0.218 82 G HA3 -0.306 3.657 3.960 0.005 0.000 0.218 82 G C 1.709 176.535 174.900 -0.123 0.000 1.146 82 G CA 1.589 45.804 45.100 -1.476 0.000 0.769 82 G HN 0.498 nan 8.290 nan 0.000 0.547 83 T N -2.256 112.277 114.554 -0.034 0.000 3.042 83 T HA 0.145 4.498 4.350 0.005 0.000 0.245 83 T C 1.910 176.773 174.700 0.272 0.000 1.029 83 T CA 0.744 63.143 62.100 0.499 0.000 1.120 83 T CB 0.067 69.305 68.868 0.616 0.000 0.917 83 T HN 0.109 nan 8.240 nan 0.000 0.467 84 E N 2.401 122.619 120.200 0.029 0.000 2.153 84 E HA -0.121 4.232 4.350 0.005 0.000 0.194 84 E C 2.272 178.788 176.600 -0.140 0.000 0.988 84 E CA 1.452 57.830 56.400 -0.036 0.000 0.811 84 E CB -0.556 29.090 29.700 -0.090 0.000 0.746 84 E HN 0.804 nan 8.360 nan 0.000 0.466 85 M N -1.909 117.510 119.600 -0.302 0.000 2.260 85 M HA -0.128 4.355 4.480 0.005 0.000 0.261 85 M C 1.455 177.371 176.300 -0.641 0.000 1.066 85 M CA 1.631 56.597 55.300 -0.556 0.000 1.082 85 M CB -0.708 31.434 32.600 -0.763 0.000 1.388 85 M HN 0.022 nan 8.290 nan 0.000 0.419 86 W N 0.977 122.236 121.300 -0.067 0.000 3.077 86 W HA 0.258 4.920 4.660 0.004 0.000 0.266 86 W C 0.440 176.912 176.519 -0.078 0.000 1.300 86 W CA -0.936 56.361 57.345 -0.079 0.000 1.586 86 W CB -0.289 29.183 29.460 0.021 0.000 1.103 86 W HN 0.118 nan 8.180 nan 0.000 0.652 87 N N 1.619 120.366 118.700 0.079 0.000 2.482 87 N HA 0.120 4.863 4.740 0.005 0.000 0.260 87 N C -2.369 173.101 175.510 -0.067 0.000 1.236 87 N CA -1.510 51.552 53.050 0.021 0.000 0.938 87 N CB -0.061 38.427 38.487 0.002 0.000 1.128 87 N HN -0.332 nan 8.380 nan 0.000 0.448 88 P HA 0.002 nan 4.420 nan 0.000 0.263 88 P C 0.195 177.414 177.300 -0.136 0.000 1.175 88 P CA 0.241 63.264 63.100 -0.129 0.000 0.761 88 P CB 0.312 31.931 31.700 -0.136 0.000 0.794 89 N N 1.947 120.552 118.700 -0.157 0.000 2.238 89 N HA 0.107 4.850 4.740 0.005 0.000 0.235 89 N C 0.142 175.580 175.510 -0.120 0.000 1.209 89 N CA -0.120 52.843 53.050 -0.145 0.000 0.879 89 N CB 0.530 38.910 38.487 -0.178 0.000 1.136 89 N HN 0.152 nan 8.380 nan 0.000 0.517 90 R N 0.124 120.553 120.500 -0.119 0.000 2.906 90 R HA 0.298 4.641 4.340 0.005 0.000 0.258 90 R C -0.655 175.578 176.300 -0.111 0.000 1.156 90 R CA -0.654 55.390 56.100 -0.095 0.000 0.996 90 R CB 0.796 31.051 30.300 -0.075 0.000 1.259 90 R HN 0.294 nan 8.270 nan 0.000 0.462 91 E N 1.358 121.498 120.200 -0.100 0.000 2.413 91 E HA 0.070 4.423 4.350 0.005 0.000 0.263 91 E C -0.522 175.983 176.600 -0.158 0.000 1.015 91 E CA -0.115 56.217 56.400 -0.114 0.000 0.916 91 E CB 0.574 30.224 29.700 -0.082 0.000 0.947 91 E HN 0.267 nan 8.360 nan 0.000 0.440 92 L N 3.306 124.383 121.223 -0.244 0.000 2.349 92 L HA 0.270 4.613 4.340 0.005 0.000 0.275 92 L C 0.222 176.935 176.870 -0.262 0.000 1.115 92 L CA -0.053 54.534 54.840 -0.422 0.000 0.820 92 L CB 1.222 42.746 42.059 -0.892 0.000 1.135 92 L HN 0.478 nan 8.230 nan 0.000 0.445 93 S N 1.184 116.810 115.700 -0.124 0.000 2.543 93 S HA 0.174 4.647 4.470 0.005 0.000 0.274 93 S C 0.266 174.887 174.600 0.036 0.000 1.149 93 S CA -0.670 57.575 58.200 0.074 0.000 0.866 93 S CB 1.567 64.785 63.200 0.030 0.000 1.111 93 S HN 0.754 nan 8.310 nan 0.000 0.457 94 E N 1.079 121.281 120.200 0.003 0.000 2.150 94 E HA -0.105 4.248 4.350 0.005 0.000 0.193 94 E C -0.181 176.376 176.600 -0.072 0.000 0.985 94 E CA 0.791 57.115 56.400 -0.128 0.000 0.814 94 E CB 0.051 29.658 29.700 -0.156 0.000 0.752 94 E HN 0.593 nan 8.360 nan 0.000 0.466 95 D N 0.085 120.476 120.400 -0.015 0.000 2.455 95 D HA -0.032 4.611 4.640 0.005 0.000 0.234 95 D C 0.068 176.450 176.300 0.137 0.000 1.224 95 D CA -0.128 53.888 54.000 0.025 0.000 0.999 95 D CB -0.037 40.800 40.800 0.062 0.000 1.072 95 D HN 0.156 nan 8.370 nan 0.000 0.514 96 c N 2.495 121.139 118.600 0.072 0.000 4.015 96 c HA 0.364 4.937 4.570 0.005 0.000 0.323 96 c C 0.629 174.803 174.090 0.140 0.000 1.724 96 c CA -0.686 55.759 56.329 0.193 0.000 1.828 96 c CB -1.214 41.341 42.510 0.075 0.000 3.083 96 c HN 0.427 nan 8.230 nan 0.000 0.640 97 L N 2.666 123.728 121.223 -0.268 0.000 2.395 97 L HA 0.401 4.744 4.340 0.005 0.000 0.268 97 L C -0.915 175.516 176.870 -0.732 0.000 1.223 97 L CA 0.490 55.043 54.840 -0.478 0.000 1.093 97 L CB -0.607 40.987 42.059 -0.774 0.000 1.349 97 L HN 0.395 nan 8.230 nan 0.000 0.427 98 Y N 2.136 122.544 120.300 0.180 0.000 2.576 98 Y HA 0.661 5.213 4.550 0.005 0.000 0.346 98 Y C -0.116 175.980 175.900 0.327 0.000 1.018 98 Y CA -1.257 56.981 58.100 0.232 0.000 1.050 98 Y CB 1.962 40.459 38.460 0.062 0.000 1.280 98 Y HN 0.207 nan 8.280 nan 0.000 0.474 99 L N -0.259 121.112 121.223 0.247 0.000 2.327 99 L HA 0.773 5.116 4.340 0.005 0.000 0.258 99 L C -1.289 175.540 176.870 -0.067 0.000 1.024 99 L CA -1.151 53.674 54.840 -0.024 0.000 0.825 99 L CB 1.759 43.575 42.059 -0.404 0.000 1.386 99 L HN 0.477 nan 8.230 nan 0.000 0.417 100 N N 0.225 118.893 118.700 -0.054 0.000 2.272 100 N HA 0.747 5.490 4.740 0.005 0.000 0.305 100 N C -1.481 173.887 175.510 -0.236 0.000 1.103 100 N CA -0.456 52.479 53.050 -0.192 0.000 0.791 100 N CB 2.876 41.251 38.487 -0.187 0.000 1.356 100 N HN 0.517 nan 8.380 nan 0.000 0.486 101 V N 1.108 120.797 119.914 -0.375 0.000 2.577 101 V HA 0.454 4.577 4.120 0.005 0.000 0.303 101 V C -0.875 175.081 176.094 -0.231 0.000 1.042 101 V CA -0.820 61.353 62.300 -0.211 0.000 0.872 101 V CB 2.284 33.896 31.823 -0.353 0.000 0.998 101 V HN 0.565 nan 8.190 nan 0.000 0.423 102 W N 3.075 124.440 121.300 0.108 0.000 2.475 102 W HA 0.664 5.327 4.660 0.006 0.000 0.317 102 W C 0.080 176.681 176.519 0.136 0.000 1.046 102 W CA -0.405 57.003 57.345 0.105 0.000 1.215 102 W CB 2.461 31.971 29.460 0.084 0.000 1.335 102 W HN 0.657 nan 8.180 nan 0.000 0.471 103 T N 0.489 115.260 114.554 0.362 0.000 2.906 103 T HA 0.521 4.874 4.350 0.005 0.000 0.295 103 T C -2.725 172.132 174.700 0.262 0.000 1.075 103 T CA -2.495 59.789 62.100 0.306 0.000 1.005 103 T CB 2.245 71.326 68.868 0.355 0.000 1.136 103 T HN -0.094 nan 8.240 nan 0.000 0.498 104 P HA 0.140 nan 4.420 nan 0.000 0.270 104 P C -1.480 175.950 177.300 0.218 0.000 1.221 104 P CA -0.110 63.099 63.100 0.182 0.000 0.788 104 P CB 0.142 31.920 31.700 0.131 0.000 0.904 105 Y N 2.173 122.519 120.300 0.076 0.000 2.326 105 Y HA 0.397 4.950 4.550 0.005 0.000 0.329 105 Y C -2.170 173.760 175.900 0.050 0.000 0.973 105 Y CA -2.416 55.722 58.100 0.063 0.000 1.162 105 Y CB 1.111 39.596 38.460 0.041 0.000 1.147 105 Y HN 0.327 nan 8.280 nan 0.000 0.456 106 P HA 0.211 nan 4.420 nan 0.000 0.272 106 P C -0.970 176.276 177.300 -0.091 0.000 1.240 106 P CA -0.360 62.519 63.100 -0.368 0.000 0.791 106 P CB 1.047 32.577 31.700 -0.284 0.000 0.978 107 R N 1.472 121.942 120.500 -0.050 0.000 2.570 107 R HA 0.178 4.521 4.340 0.005 0.000 0.277 107 R C -1.576 174.742 176.300 0.031 0.000 1.039 107 R CA -1.005 55.127 56.100 0.055 0.000 1.065 107 R CB -0.669 29.690 30.300 0.099 0.000 0.964 107 R HN 0.492 nan 8.270 nan 0.000 0.428 108 P HA 0.055 nan 4.420 nan 0.000 0.274 108 P C -0.269 177.045 177.300 0.023 0.000 1.246 108 P CA -0.172 62.950 63.100 0.037 0.000 0.795 108 P CB 0.937 32.667 31.700 0.050 0.000 1.006 109 A N 1.729 124.557 122.820 0.014 0.000 1.843 109 A HA 0.017 4.340 4.320 0.005 0.000 0.213 109 A C 1.245 178.833 177.584 0.006 0.000 1.202 109 A CA 1.400 53.440 52.037 0.005 0.000 0.607 109 A CB -1.398 17.602 19.000 0.001 0.000 0.847 109 A HN 0.730 nan 8.150 nan 0.000 0.445 110 S N 0.400 116.105 115.700 0.009 0.000 2.603 110 S HA 0.484 4.957 4.470 0.005 0.000 0.268 110 S C -2.859 171.750 174.600 0.015 0.000 1.317 110 S CA -1.341 56.864 58.200 0.007 0.000 1.012 110 S CB 0.248 63.451 63.200 0.004 0.000 0.926 110 S HN 0.193 nan 8.310 nan 0.000 0.539 111 P HA 0.261 nan 4.420 nan 0.000 0.282 111 P C -0.250 177.066 177.300 0.026 0.000 1.274 111 P CA -0.313 62.801 63.100 0.023 0.000 0.770 111 P CB 0.372 32.079 31.700 0.013 0.000 0.867 112 T N 1.854 116.435 114.554 0.045 0.000 2.909 112 T HA 0.449 4.802 4.350 0.005 0.000 0.286 112 T C -2.543 172.186 174.700 0.048 0.000 1.002 112 T CA -2.602 59.525 62.100 0.044 0.000 1.074 112 T CB 0.236 69.139 68.868 0.059 0.000 0.984 112 T HN 0.101 nan 8.240 nan 0.000 0.495 113 P HA 0.244 nan 4.420 nan 0.000 0.268 113 P C -0.668 176.671 177.300 0.064 0.000 1.204 113 P CA -0.407 62.713 63.100 0.033 0.000 0.768 113 P CB 0.425 32.126 31.700 0.002 0.000 0.842 114 V N 5.085 125.053 119.914 0.091 0.000 2.539 114 V HA 0.324 4.447 4.120 0.005 0.000 0.292 114 V C 0.318 176.491 176.094 0.131 0.000 1.045 114 V CA -0.418 61.958 62.300 0.127 0.000 0.945 114 V CB 1.173 33.086 31.823 0.150 0.000 0.993 114 V HN 0.371 nan 8.190 nan 0.000 0.464 115 L N 5.676 126.989 121.223 0.150 0.000 2.349 115 L HA 0.598 4.941 4.340 0.005 0.000 0.278 115 L C -0.771 176.319 176.870 0.366 0.000 0.996 115 L CA -0.189 54.747 54.840 0.160 0.000 0.825 115 L CB 1.703 43.738 42.059 -0.040 0.000 1.243 115 L HN 0.489 nan 8.230 nan 0.000 0.412 116 I N 3.170 124.003 120.570 0.438 0.000 2.362 116 I HA 0.256 4.429 4.170 0.005 0.000 0.289 116 I C -0.859 175.578 176.117 0.533 0.000 0.994 116 I CA -0.448 61.104 61.300 0.421 0.000 1.158 116 I CB 1.555 39.677 38.000 0.202 0.000 1.315 116 I HN 0.619 nan 8.210 nan 0.000 0.451 117 W N 8.620 130.057 121.300 0.229 0.000 2.391 117 W HA 0.598 5.260 4.660 0.004 0.000 0.311 117 W C -1.709 174.727 176.519 -0.139 0.000 1.087 117 W CA -0.739 56.526 57.345 -0.133 0.000 1.209 117 W CB 1.308 30.672 29.460 -0.161 0.000 1.273 117 W HN 0.342 nan 8.180 nan 0.000 0.482 118 I N 8.841 128.810 120.570 -1.001 0.000 2.354 118 I HA 0.102 4.275 4.170 0.005 0.000 0.286 118 I C -0.091 175.178 176.117 -1.413 0.000 1.007 118 I CA -1.081 59.650 61.300 -0.948 0.000 1.167 118 I CB 0.664 38.275 38.000 -0.648 0.000 1.320 118 I HN 0.297 nan 8.210 nan 0.000 0.458 119 Y N 4.676 124.475 120.300 -0.834 0.000 2.330 119 Y HA 0.727 5.279 4.550 0.005 0.000 0.341 119 Y C 0.761 176.461 175.900 -0.334 0.000 1.278 119 Y CA -0.929 56.780 58.100 -0.653 0.000 1.453 119 Y CB -0.098 38.179 38.460 -0.304 0.000 1.342 119 Y HN 0.525 nan 8.280 nan 0.000 0.590 120 G N -1.157 107.658 108.800 0.025 0.000 2.702 120 G HA2 0.489 4.452 3.960 0.005 0.000 0.254 120 G HA3 0.489 4.452 3.960 0.005 0.000 0.254 120 G C 0.218 175.068 174.900 -0.083 0.000 1.380 120 G CA -0.948 44.092 45.100 -0.101 0.000 1.042 120 G HN 1.731 nan 8.290 nan 0.000 0.557 121 G N -2.694 105.886 108.800 -0.366 0.000 2.192 121 G HA2 0.396 4.359 3.960 0.005 0.000 0.152 121 G HA3 0.396 4.359 3.960 0.005 0.000 0.152 121 G C 1.078 175.343 174.900 -1.060 0.000 1.057 121 G CA 0.678 45.425 45.100 -0.587 0.000 0.748 121 G HN 2.306 nan 8.290 nan 0.000 0.488 122 G N -0.495 107.699 108.800 -1.009 0.000 2.244 122 G HA2 -0.135 3.828 3.960 0.005 0.000 0.274 122 G HA3 -0.135 3.828 3.960 0.005 0.000 0.274 122 G C 0.948 175.393 174.900 -0.758 0.000 1.002 122 G CA 0.936 45.239 45.100 -1.328 0.000 0.740 122 G HN 1.818 nan 8.290 nan 0.000 0.516 123 F N -3.524 116.215 119.950 -0.352 0.000 2.871 123 F HA -0.307 4.223 4.527 0.005 0.000 0.326 123 F C 1.446 177.318 175.800 0.119 0.000 0.675 123 F CA 2.021 59.978 58.000 -0.071 0.000 1.188 123 F CB -2.097 36.737 39.000 -0.276 0.000 1.567 123 F HN 0.872 nan 8.300 nan 0.000 0.325 124 Y N -0.949 119.434 120.300 0.139 0.000 2.500 124 Y HA 0.670 5.223 4.550 0.005 0.000 0.246 124 Y C 0.513 176.563 175.900 0.250 0.000 1.146 124 Y CA 0.033 58.258 58.100 0.209 0.000 1.230 124 Y CB -0.003 38.536 38.460 0.132 0.000 1.214 124 Y HN 0.133 nan 8.280 nan 0.000 0.526 125 S N -0.936 114.736 115.700 -0.045 0.000 2.595 125 S HA 0.831 5.304 4.470 0.005 0.000 0.270 125 S C -0.391 174.126 174.600 -0.138 0.000 1.145 125 S CA -0.382 57.810 58.200 -0.014 0.000 0.825 125 S CB 1.419 64.645 63.200 0.044 0.000 1.107 125 S HN 1.358 nan 8.310 nan 0.000 0.461 126 G N -0.541 108.130 108.800 -0.215 0.000 2.334 126 G HA2 0.596 4.559 3.960 0.005 0.000 0.566 126 G HA3 0.596 4.559 3.960 0.005 0.000 0.566 126 G C -0.879 173.415 174.900 -1.010 0.000 1.413 126 G CA -0.043 44.722 45.100 -0.558 0.000 0.993 126 G HN 2.117 nan 8.290 nan 0.000 0.642 127 A N -0.843 121.279 122.820 -1.165 0.000 2.574 127 A HA 0.997 5.320 4.320 0.005 0.000 0.297 127 A C 0.659 178.018 177.584 -0.375 0.000 1.062 127 A CA 0.418 52.002 52.037 -0.755 0.000 0.686 127 A CB 1.237 20.031 19.000 -0.342 0.000 1.285 127 A HN 2.539 nan 8.150 nan 0.000 0.403 128 A N 0.565 123.412 122.820 0.046 0.000 2.206 128 A HA 0.212 4.535 4.320 0.005 0.000 0.211 128 A C 1.758 179.393 177.584 0.084 0.000 1.158 128 A CA 1.801 54.042 52.037 0.339 0.000 0.761 128 A CB -0.567 18.700 19.000 0.446 0.000 0.801 128 A HN 1.737 nan 8.150 nan 0.000 0.473 129 S N -0.450 115.074 115.700 -0.293 0.000 2.524 129 S HA 0.269 4.742 4.470 0.005 0.000 0.216 129 S C 0.604 174.771 174.600 -0.721 0.000 0.987 129 S CA -0.445 57.138 58.200 -1.029 0.000 0.909 129 S CB -0.612 61.986 63.200 -1.002 0.000 0.781 129 S HN 0.398 nan 8.310 nan 0.000 0.521 130 L N 2.528 123.503 121.223 -0.412 0.000 2.529 130 L HA 0.073 4.416 4.340 0.005 0.000 0.287 130 L C 1.192 177.739 176.870 -0.538 0.000 1.241 130 L CA -0.337 54.206 54.840 -0.494 0.000 0.857 130 L CB 0.114 41.790 42.059 -0.638 0.000 1.113 130 L HN 0.092 nan 8.230 nan 0.000 0.504 131 D N 1.354 121.473 120.400 -0.468 0.000 2.149 131 D HA -0.141 4.502 4.640 0.005 0.000 0.198 131 D C 1.959 177.971 176.300 -0.479 0.000 0.990 131 D CA 1.424 55.201 54.000 -0.371 0.000 0.839 131 D CB 0.007 40.631 40.800 -0.292 0.000 0.948 131 D HN 0.569 nan 8.370 nan 0.000 0.460 132 V N -1.421 118.053 119.914 -0.733 0.000 3.444 132 V HA -0.113 4.010 4.120 0.005 0.000 0.271 132 V C 0.672 176.091 176.094 -1.126 0.000 1.188 132 V CA 0.826 62.635 62.300 -0.818 0.000 1.168 132 V CB -1.234 30.070 31.823 -0.865 0.000 0.810 132 V HN 0.055 nan 8.190 nan 0.000 0.500 133 Y N -0.001 119.731 120.300 -0.946 0.000 2.720 133 Y HA 0.508 5.060 4.550 0.004 0.000 0.277 133 Y C 0.643 176.012 175.900 -0.885 0.000 1.144 133 Y CA -2.105 55.074 58.100 -1.535 0.000 1.221 133 Y CB -0.660 37.197 38.460 -1.005 0.000 1.163 133 Y HN 0.176 nan 8.280 nan 0.000 0.537 134 D N 0.875 120.973 120.400 -0.502 0.000 2.371 134 D HA 0.083 4.726 4.640 0.005 0.000 0.256 134 D C 1.326 177.245 176.300 -0.636 0.000 1.193 134 D CA 0.452 54.175 54.000 -0.462 0.000 0.881 134 D CB 1.595 42.256 40.800 -0.232 0.000 1.143 134 D HN 0.528 nan 8.370 nan 0.000 0.473 135 G N 4.011 111.762 108.800 -1.748 0.000 2.813 135 G HA2 -0.173 3.790 3.960 0.005 0.000 0.209 135 G HA3 -0.173 3.790 3.960 0.005 0.000 0.209 135 G C 1.527 175.864 174.900 -0.939 0.000 1.150 135 G CA 0.313 44.671 45.100 -1.237 0.000 0.785 135 G HN 0.616 nan 8.290 nan 0.000 0.535 136 R N -0.325 119.498 120.500 -1.129 0.000 2.103 136 R HA -0.116 4.226 4.340 0.005 0.000 0.242 136 R C 1.867 177.870 176.300 -0.495 0.000 1.142 136 R CA 1.713 57.414 56.100 -0.665 0.000 0.960 136 R CB -0.858 29.056 30.300 -0.642 0.000 0.858 136 R HN 0.319 nan 8.270 nan 0.000 0.439 137 F N 1.438 121.284 119.950 -0.174 0.000 2.113 137 F HA 0.017 4.547 4.527 0.005 0.000 0.297 137 F C 2.423 178.158 175.800 -0.109 0.000 1.103 137 F CA 0.821 58.748 58.000 -0.122 0.000 1.248 137 F CB -0.699 38.219 39.000 -0.136 0.000 0.999 137 F HN -0.122 nan 8.300 nan 0.000 0.475 138 L N -0.064 121.176 121.223 0.028 0.000 2.079 138 L HA -0.237 4.106 4.340 0.005 0.000 0.210 138 L C 2.727 179.598 176.870 0.001 0.000 1.081 138 L CA 1.186 56.009 54.840 -0.028 0.000 0.752 138 L CB -0.933 41.060 42.059 -0.110 0.000 0.896 138 L HN 0.207 nan 8.230 nan 0.000 0.433 139 A N -1.003 121.817 122.820 0.001 0.000 1.858 139 A HA -0.247 4.075 4.320 0.005 0.000 0.216 139 A C 2.279 179.901 177.584 0.063 0.000 1.190 139 A CA 1.642 53.721 52.037 0.070 0.000 0.617 139 A CB -0.517 18.565 19.000 0.135 0.000 0.827 139 A HN 0.394 nan 8.150 nan 0.000 0.443 140 Q N -0.180 119.641 119.800 0.035 0.000 1.994 140 Q HA -0.075 4.268 4.340 0.005 0.000 0.198 140 Q C 2.247 178.277 176.000 0.049 0.000 0.976 140 Q CA 2.035 57.865 55.803 0.046 0.000 0.828 140 Q CB -0.436 28.315 28.738 0.023 0.000 0.894 140 Q HN 0.375 nan 8.270 nan 0.000 0.432 141 V N 1.551 121.494 119.914 0.047 0.000 2.379 141 V HA -0.141 3.981 4.120 0.005 0.000 0.245 141 V C 1.712 177.820 176.094 0.023 0.000 1.044 141 V CA 1.668 63.990 62.300 0.037 0.000 1.036 141 V CB -0.194 31.651 31.823 0.037 0.000 0.664 141 V HN 0.289 nan 8.190 nan 0.000 0.453 142 E N -0.440 119.772 120.200 0.020 0.000 2.481 142 E HA 0.204 4.557 4.350 0.005 0.000 0.198 142 E C 1.676 178.292 176.600 0.026 0.000 1.027 142 E CA 0.698 57.106 56.400 0.014 0.000 0.900 142 E CB 0.432 30.130 29.700 -0.002 0.000 0.993 142 E HN 0.587 nan 8.360 nan 0.000 0.482 143 G N 1.639 110.465 108.800 0.042 0.000 2.168 143 G HA2 -0.328 3.635 3.960 0.005 0.000 0.257 143 G HA3 -0.328 3.635 3.960 0.005 0.000 0.257 143 G C 0.502 175.442 174.900 0.066 0.000 0.997 143 G CA 0.500 45.633 45.100 0.056 0.000 0.708 143 G HN 0.487 nan 8.290 nan 0.000 0.520 144 A N -0.777 122.082 122.820 0.065 0.000 2.302 144 A HA 0.764 5.086 4.320 0.005 0.000 0.285 144 A C 0.347 178.007 177.584 0.125 0.000 1.105 144 A CA -0.076 52.005 52.037 0.074 0.000 0.816 144 A CB 1.445 20.469 19.000 0.040 0.000 1.067 144 A HN 1.072 nan 8.150 nan 0.000 0.489 145 V N 2.709 122.707 119.914 0.142 0.000 2.364 145 V HA 0.345 4.468 4.120 0.005 0.000 0.272 145 V C -0.107 176.119 176.094 0.220 0.000 1.036 145 V CA -0.072 62.344 62.300 0.193 0.000 0.880 145 V CB 0.646 32.578 31.823 0.180 0.000 0.991 145 V HN 0.721 nan 8.190 nan 0.000 0.460 146 L N 6.128 127.538 121.223 0.311 0.000 2.322 146 L HA 0.763 5.106 4.340 0.005 0.000 0.281 146 L C -0.796 176.365 176.870 0.485 0.000 1.014 146 L CA -0.282 54.797 54.840 0.398 0.000 0.815 146 L CB 1.896 44.195 42.059 0.400 0.000 1.247 146 L HN 0.436 nan 8.230 nan 0.000 0.421 147 V N 2.878 123.053 119.914 0.435 0.000 2.735 147 V HA 0.695 4.817 4.120 0.005 0.000 0.310 147 V C -0.588 175.763 176.094 0.428 0.000 1.061 147 V CA -0.455 62.053 62.300 0.347 0.000 0.913 147 V CB 2.170 34.125 31.823 0.220 0.000 1.005 147 V HN 0.855 nan 8.190 nan 0.000 0.428 148 S N 4.867 120.806 115.700 0.398 0.000 2.541 148 S HA 0.857 5.330 4.470 0.005 0.000 0.280 148 S C -0.819 173.913 174.600 0.220 0.000 1.112 148 S CA -0.835 57.601 58.200 0.394 0.000 0.925 148 S CB 2.209 65.781 63.200 0.621 0.000 1.067 148 S HN 0.850 nan 8.310 nan 0.000 0.479 149 M N 1.337 121.015 119.600 0.131 0.000 2.598 149 M HA 0.639 5.122 4.480 0.005 0.000 0.317 149 M C -1.473 174.999 176.300 0.288 0.000 1.179 149 M CA -0.519 54.819 55.300 0.062 0.000 0.936 149 M CB 0.980 33.417 32.600 -0.271 0.000 1.713 149 M HN 0.541 nan 8.290 nan 0.000 0.460 150 N N 2.700 121.632 118.700 0.387 0.000 2.525 150 N HA 0.528 5.271 4.740 0.005 0.000 0.271 150 N C -1.400 174.379 175.510 0.447 0.000 1.194 150 N CA 0.222 53.546 53.050 0.457 0.000 0.964 150 N CB 0.344 39.050 38.487 0.366 0.000 1.126 150 N HN 0.711 nan 8.380 nan 0.000 0.452 151 Y N -2.028 118.442 120.300 0.283 0.000 2.544 151 Y HA 0.522 5.075 4.550 0.005 0.000 0.342 151 Y C -0.216 175.809 175.900 0.207 0.000 1.062 151 Y CA -1.304 56.911 58.100 0.192 0.000 1.023 151 Y CB 0.907 39.411 38.460 0.074 0.000 1.308 151 Y HN 0.212 nan 8.280 nan 0.000 0.457 152 R N 2.131 122.762 120.500 0.218 0.000 2.570 152 R HA 0.437 4.779 4.340 0.005 0.000 0.277 152 R C -0.034 176.395 176.300 0.214 0.000 1.039 152 R CA 0.081 56.254 56.100 0.121 0.000 1.065 152 R CB 0.713 31.040 30.300 0.044 0.000 0.964 152 R HN 0.722 nan 8.270 nan 0.000 0.428 153 V N -0.026 120.055 119.914 0.278 0.000 3.240 153 V HA 0.845 4.968 4.120 0.005 0.000 0.306 153 V C 0.864 177.286 176.094 0.548 0.000 1.227 153 V CA -0.230 62.374 62.300 0.507 0.000 1.047 153 V CB 0.830 32.873 31.823 0.367 0.000 1.203 153 V HN 0.961 nan 8.190 nan 0.000 0.471 154 G N 1.122 110.284 108.800 0.602 0.000 2.578 154 G HA2 -0.311 3.652 3.960 0.005 0.000 0.284 154 G HA3 -0.311 3.652 3.960 0.005 0.000 0.284 154 G C 1.041 176.122 174.900 0.301 0.000 1.283 154 G CA 1.818 47.208 45.100 0.483 0.000 0.944 154 G HN 2.328 nan 8.290 nan 0.000 0.558 155 T N -1.877 112.610 114.554 -0.112 0.000 2.720 155 T HA -0.133 4.220 4.350 0.005 0.000 0.268 155 T C 2.126 176.685 174.700 -0.236 0.000 1.037 155 T CA 2.610 64.358 62.100 -0.587 0.000 1.144 155 T CB -0.459 67.929 68.868 -0.800 0.000 0.864 155 T HN 0.577 nan 8.240 nan 0.000 0.444 156 F N 2.232 122.192 119.950 0.017 0.000 2.161 156 F HA 0.158 4.688 4.527 0.005 0.000 0.300 156 F C 2.870 178.613 175.800 -0.096 0.000 1.089 156 F CA 0.901 58.857 58.000 -0.073 0.000 1.282 156 F CB -1.040 37.906 39.000 -0.090 0.000 1.010 156 F HN 0.357 nan 8.300 nan 0.000 0.485 157 G N -1.467 107.361 108.800 0.048 0.000 2.426 157 G HA2 -0.065 3.898 3.960 0.005 0.000 0.214 157 G HA3 -0.065 3.898 3.960 0.005 0.000 0.214 157 G C 0.958 175.339 174.900 -0.866 0.000 1.156 157 G CA 0.513 45.312 45.100 -0.501 0.000 0.802 157 G HN 0.383 nan 8.290 nan 0.000 0.534 158 F N -0.955 119.060 119.950 0.108 0.000 2.915 158 F HA 0.418 4.948 4.527 0.005 0.000 0.347 158 F C 0.417 176.254 175.800 0.061 0.000 1.104 158 F CA -0.974 57.068 58.000 0.069 0.000 1.126 158 F CB 0.248 39.293 39.000 0.074 0.000 1.145 158 F HN -0.089 nan 8.300 nan 0.000 0.541 159 L N 2.371 123.577 121.223 -0.028 0.000 2.534 159 L HA 0.498 4.841 4.340 0.005 0.000 0.271 159 L C 0.003 176.804 176.870 -0.115 0.000 1.178 159 L CA 0.068 54.761 54.840 -0.245 0.000 0.907 159 L CB 0.258 41.890 42.059 -0.712 0.000 1.164 159 L HN 0.141 nan 8.230 nan 0.000 0.482 160 A N 6.448 129.263 122.820 -0.009 0.000 2.393 160 A HA 0.628 4.951 4.320 0.005 0.000 0.306 160 A C -0.896 176.658 177.584 -0.049 0.000 1.050 160 A CA -0.603 51.418 52.037 -0.027 0.000 0.724 160 A CB 1.222 20.243 19.000 0.035 0.000 1.248 160 A HN 0.724 nan 8.150 nan 0.000 0.424 161 L N 3.582 124.759 121.223 -0.077 0.000 2.426 161 L HA 0.291 4.634 4.340 0.005 0.000 0.255 161 L C -2.388 174.463 176.870 -0.031 0.000 1.080 161 L CA -1.850 52.954 54.840 -0.059 0.000 0.960 161 L CB 1.175 43.183 42.059 -0.086 0.000 1.326 161 L HN 0.423 nan 8.230 nan 0.000 0.441 162 P HA 0.039 nan 4.420 nan 0.000 0.264 162 P C 0.966 178.263 177.300 -0.004 0.000 1.183 162 P CA 0.771 63.870 63.100 -0.003 0.000 0.763 162 P CB 0.863 32.564 31.700 0.001 0.000 0.807 163 G N 1.526 110.328 108.800 0.003 0.000 2.217 163 G HA2 -0.241 3.722 3.960 0.005 0.000 0.246 163 G HA3 -0.241 3.722 3.960 0.005 0.000 0.246 163 G C 0.438 175.339 174.900 0.001 0.000 0.990 163 G CA 0.310 45.412 45.100 0.003 0.000 0.627 163 G HN 0.822 nan 8.290 nan 0.000 0.522 164 S N -0.680 115.017 115.700 -0.004 0.000 2.645 164 S HA 0.681 5.153 4.470 0.005 0.000 0.266 164 S C 1.165 175.767 174.600 0.003 0.000 1.258 164 S CA 0.314 58.510 58.200 -0.007 0.000 0.990 164 S CB 2.027 65.214 63.200 -0.021 0.000 0.967 164 S HN 0.371 nan 8.310 nan 0.000 0.556 165 R N -0.197 120.306 120.500 0.005 0.000 2.156 165 R HA 0.107 4.450 4.340 0.005 0.000 0.207 165 R C 1.088 177.400 176.300 0.020 0.000 1.040 165 R CA 0.827 56.936 56.100 0.014 0.000 1.013 165 R CB -0.153 30.155 30.300 0.014 0.000 0.931 165 R HN 0.777 nan 8.270 nan 0.000 0.465 166 E N -0.622 119.587 120.200 0.016 0.000 2.474 166 E HA 0.143 4.496 4.350 0.005 0.000 0.194 166 E C -0.424 176.203 176.600 0.045 0.000 1.041 166 E CA 0.311 56.731 56.400 0.034 0.000 0.874 166 E CB 1.350 31.067 29.700 0.029 0.000 0.914 166 E HN 0.216 nan 8.360 nan 0.000 0.498 167 A N 0.649 123.473 122.820 0.006 0.000 3.124 167 A HA 0.327 4.650 4.320 0.005 0.000 0.295 167 A C -2.345 175.231 177.584 -0.014 0.000 1.199 167 A CA -0.919 51.108 52.037 -0.017 0.000 0.845 167 A CB 0.490 19.390 19.000 -0.166 0.000 1.381 167 A HN -0.088 nan 8.150 nan 0.000 0.537 168 P HA 0.167 nan 4.420 nan 0.000 0.219 168 P C 0.976 178.290 177.300 0.024 0.000 1.150 168 P CA 1.984 65.098 63.100 0.023 0.000 0.814 168 P CB 0.242 31.966 31.700 0.040 0.000 0.787 169 G N -0.574 108.238 108.800 0.020 0.000 2.663 169 G HA2 -0.120 3.843 3.960 0.005 0.000 0.686 169 G HA3 -0.120 3.843 3.960 0.005 0.000 0.686 169 G C -0.179 174.726 174.900 0.009 0.000 1.246 169 G CA -0.304 44.813 45.100 0.029 0.000 0.795 169 G HN 0.106 nan 8.290 nan 0.000 0.627 170 N N -2.318 116.391 118.700 0.016 0.000 2.828 170 N HA -0.293 4.450 4.740 0.005 0.000 0.248 170 N C 2.016 177.416 175.510 -0.182 0.000 1.044 170 N CA 2.459 55.464 53.050 -0.075 0.000 0.851 170 N CB -1.728 36.623 38.487 -0.226 0.000 1.136 170 N HN 1.972 nan 8.380 nan 0.000 0.572 171 V N -1.953 117.852 119.914 -0.181 0.000 2.453 171 V HA -0.147 3.976 4.120 0.005 0.000 0.252 171 V C 2.357 178.334 176.094 -0.196 0.000 1.068 171 V CA 2.585 64.800 62.300 -0.143 0.000 1.070 171 V CB -1.128 30.643 31.823 -0.086 0.000 0.664 171 V HN 0.314 nan 8.190 nan 0.000 0.461 172 G N 0.718 109.217 108.800 -0.501 0.000 2.446 172 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 172 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 172 G C 1.552 176.449 174.900 -0.004 0.000 1.168 172 G CA 1.395 46.322 45.100 -0.289 0.000 0.771 172 G HN 0.582 nan 8.290 nan 0.000 0.551 173 L N -0.073 121.111 121.223 -0.065 0.000 2.141 173 L HA 0.064 4.407 4.340 0.005 0.000 0.209 173 L C 2.814 179.719 176.870 0.058 0.000 1.094 173 L CA 0.303 55.052 54.840 -0.152 0.000 0.763 173 L CB -0.329 41.306 42.059 -0.706 0.000 0.908 173 L HN 0.168 nan 8.230 nan 0.000 0.437 174 L N -0.593 120.662 121.223 0.054 0.000 2.109 174 L HA -0.170 4.173 4.340 0.005 0.000 0.207 174 L C 2.223 179.217 176.870 0.206 0.000 1.086 174 L CA 0.828 55.787 54.840 0.197 0.000 0.760 174 L CB -0.644 41.509 42.059 0.157 0.000 0.910 174 L HN 0.264 nan 8.230 nan 0.000 0.437 175 D N 0.129 120.636 120.400 0.178 0.000 2.116 175 D HA -0.235 4.408 4.640 0.005 0.000 0.193 175 D C 2.250 178.766 176.300 0.360 0.000 0.998 175 D CA 1.300 55.486 54.000 0.310 0.000 0.836 175 D CB -0.224 40.756 40.800 0.300 0.000 0.951 175 D HN 0.395 nan 8.370 nan 0.000 0.449 176 Q N -0.015 119.897 119.800 0.187 0.000 2.061 176 Q HA -0.143 4.200 4.340 0.005 0.000 0.204 176 Q C 2.335 178.357 176.000 0.036 0.000 0.984 176 Q CA 1.148 56.976 55.803 0.043 0.000 0.846 176 Q CB -0.078 28.659 28.738 -0.002 0.000 0.902 176 Q HN 0.208 nan 8.270 nan 0.000 0.421 177 R N 0.554 121.168 120.500 0.190 0.000 2.081 177 R HA -0.173 4.170 4.340 0.005 0.000 0.235 177 R C 2.244 178.637 176.300 0.156 0.000 1.131 177 R CA 1.054 57.256 56.100 0.170 0.000 0.960 177 R CB -0.252 30.244 30.300 0.327 0.000 0.856 177 R HN 0.228 nan 8.270 nan 0.000 0.436 178 L N 0.871 122.234 121.223 0.232 0.000 2.083 178 L HA -0.071 4.272 4.340 0.005 0.000 0.209 178 L C 2.256 179.296 176.870 0.283 0.000 1.083 178 L CA 2.115 57.133 54.840 0.296 0.000 0.752 178 L CB -0.649 41.642 42.059 0.387 0.000 0.899 178 L HN 0.254 nan 8.230 nan 0.000 0.433 179 A N -0.606 122.246 122.820 0.052 0.000 1.933 179 A HA -0.146 4.177 4.320 0.005 0.000 0.218 179 A C 2.228 179.813 177.584 0.001 0.000 1.175 179 A CA 1.856 53.699 52.037 -0.323 0.000 0.628 179 A CB -0.771 17.733 19.000 -0.827 0.000 0.814 179 A HN 0.506 nan 8.150 nan 0.000 0.444 180 L N -1.364 119.862 121.223 0.005 0.000 2.056 180 L HA -0.223 4.120 4.340 0.005 0.000 0.207 180 L C 2.847 179.787 176.870 0.117 0.000 1.078 180 L CA 1.626 56.489 54.840 0.039 0.000 0.749 180 L CB -0.818 41.215 42.059 -0.043 0.000 0.901 180 L HN 0.474 nan 8.230 nan 0.000 0.433 181 Q N -0.612 119.272 119.800 0.140 0.000 2.045 181 Q HA -0.288 4.055 4.340 0.005 0.000 0.206 181 Q C 2.014 178.121 176.000 0.178 0.000 0.991 181 Q CA 2.504 58.395 55.803 0.148 0.000 0.851 181 Q CB -0.363 28.473 28.738 0.164 0.000 0.911 181 Q HN 0.491 nan 8.270 nan 0.000 0.418 182 W N -0.083 121.264 121.300 0.079 0.000 2.305 182 W HA -0.281 4.381 4.660 0.004 0.000 0.308 182 W C 1.826 178.393 176.519 0.079 0.000 1.226 182 W CA 1.635 59.038 57.345 0.098 0.000 1.253 182 W CB -0.282 29.251 29.460 0.122 0.000 1.146 182 W HN -0.054 nan 8.180 nan 0.000 0.507 183 V N 0.573 120.685 119.914 0.330 0.000 2.261 183 V HA -0.356 3.767 4.120 0.005 0.000 0.246 183 V C 2.563 178.664 176.094 0.012 0.000 1.047 183 V CA 2.174 64.583 62.300 0.181 0.000 1.015 183 V CB -1.149 30.811 31.823 0.229 0.000 0.642 183 V HN 0.145 nan 8.190 nan 0.000 0.446 184 Q N -0.226 119.600 119.800 0.043 0.000 2.156 184 Q HA -0.284 4.059 4.340 0.005 0.000 0.211 184 Q C 2.216 178.187 176.000 -0.049 0.000 0.995 184 Q CA 2.140 57.954 55.803 0.018 0.000 0.877 184 Q CB -0.399 28.360 28.738 0.035 0.000 0.920 184 Q HN 0.737 nan 8.270 nan 0.000 0.416 185 E N -0.766 119.362 120.200 -0.121 0.000 2.086 185 E HA -0.042 4.311 4.350 0.005 0.000 0.190 185 E C 1.102 177.552 176.600 -0.250 0.000 0.975 185 E CA 0.473 56.772 56.400 -0.168 0.000 0.813 185 E CB 0.313 29.907 29.700 -0.176 0.000 0.768 185 E HN 0.347 nan 8.360 nan 0.000 0.457 186 N N 0.135 118.573 118.700 -0.436 0.000 2.273 186 N HA -0.008 4.734 4.740 0.005 0.000 0.192 186 N C 1.578 176.948 175.510 -0.232 0.000 1.132 186 N CA 0.041 52.783 53.050 -0.513 0.000 0.887 186 N CB 0.456 38.259 38.487 -1.139 0.000 1.048 186 N HN 0.105 nan 8.380 nan 0.000 0.490 187 I N 2.214 122.711 120.570 -0.122 0.000 2.493 187 I HA -0.112 4.061 4.170 0.005 0.000 0.254 187 I C 2.148 178.373 176.117 0.181 0.000 1.160 187 I CA 0.545 61.931 61.300 0.144 0.000 1.445 187 I CB -0.169 37.903 38.000 0.119 0.000 1.086 187 I HN 0.034 nan 8.210 nan 0.000 0.433 188 A N 0.375 123.221 122.820 0.044 0.000 1.940 188 A HA -0.150 4.173 4.320 0.005 0.000 0.219 188 A C 2.491 180.054 177.584 -0.035 0.000 1.176 188 A CA 1.575 53.620 52.037 0.014 0.000 0.631 188 A CB -1.165 17.820 19.000 -0.024 0.000 0.814 188 A HN 0.477 nan 8.150 nan 0.000 0.446 189 A N -1.546 121.195 122.820 -0.131 0.000 2.139 189 A HA -0.035 4.287 4.320 0.005 0.000 0.221 189 A C 1.532 178.845 177.584 -0.453 0.000 1.159 189 A CA 1.445 53.279 52.037 -0.338 0.000 0.662 189 A CB -0.700 17.986 19.000 -0.523 0.000 0.796 189 A HN 0.540 nan 8.150 nan 0.000 0.463 190 F N -1.644 118.271 119.950 -0.059 0.000 2.678 190 F HA 0.402 4.932 4.527 0.005 0.000 0.305 190 F C 1.655 177.478 175.800 0.039 0.000 1.090 190 F CA 0.504 58.499 58.000 -0.009 0.000 1.272 190 F CB 0.415 39.434 39.000 0.030 0.000 1.060 190 F HN 0.305 nan 8.300 nan 0.000 0.576 191 G N 0.640 109.525 108.800 0.141 0.000 2.130 191 G HA2 -0.137 3.826 3.960 0.005 0.000 0.216 191 G HA3 -0.137 3.826 3.960 0.005 0.000 0.216 191 G C 0.429 175.398 174.900 0.115 0.000 0.999 191 G CA -0.281 44.880 45.100 0.102 0.000 0.686 191 G HN 0.704 nan 8.290 nan 0.000 0.515 192 G N -0.520 108.364 108.800 0.140 0.000 2.367 192 G HA2 0.506 4.469 3.960 0.005 0.000 0.314 192 G HA3 0.506 4.469 3.960 0.005 0.000 0.314 192 G C -0.753 174.196 174.900 0.082 0.000 1.130 192 G CA -0.021 45.155 45.100 0.126 0.000 0.864 192 G HN 0.198 nan 8.290 nan 0.000 0.486 193 D N 2.113 122.554 120.400 0.068 0.000 2.411 193 D HA 0.266 4.908 4.640 0.005 0.000 0.225 193 D C -1.170 175.166 176.300 0.061 0.000 1.156 193 D CA -2.367 51.658 54.000 0.042 0.000 0.874 193 D CB 1.783 42.591 40.800 0.014 0.000 1.034 193 D HN 0.077 nan 8.370 nan 0.000 0.502 194 P HA -0.053 nan 4.420 nan 0.000 0.242 194 P C 1.159 178.551 177.300 0.154 0.000 1.197 194 P CA 0.400 63.563 63.100 0.105 0.000 0.765 194 P CB 0.153 31.893 31.700 0.068 0.000 0.936 195 M N -1.391 118.231 119.600 0.037 0.000 2.595 195 M HA 0.078 4.561 4.480 0.005 0.000 0.248 195 M C 0.744 176.788 176.300 -0.428 0.000 1.119 195 M CA 0.793 56.019 55.300 -0.124 0.000 1.079 195 M CB -0.417 32.102 32.600 -0.136 0.000 1.472 195 M HN -0.125 nan 8.290 nan 0.000 0.501 196 S N 0.958 116.595 115.700 -0.105 0.000 2.383 196 S HA 0.453 4.926 4.470 0.005 0.000 0.196 196 S C -1.042 173.657 174.600 0.165 0.000 1.364 196 S CA -0.386 57.782 58.200 -0.054 0.000 1.212 196 S CB 0.615 63.764 63.200 -0.085 0.000 1.171 196 S HN -0.014 nan 8.310 nan 0.000 0.456 197 V N 4.046 124.201 119.914 0.403 0.000 2.376 197 V HA 0.496 4.619 4.120 0.005 0.000 0.287 197 V C 0.043 176.316 176.094 0.298 0.000 1.015 197 V CA -0.437 62.044 62.300 0.300 0.000 0.834 197 V CB 1.847 33.834 31.823 0.272 0.000 1.001 197 V HN 0.685 nan 8.190 nan 0.000 0.428 198 T N 6.686 121.373 114.554 0.221 0.000 2.771 198 T HA 0.568 4.921 4.350 0.005 0.000 0.281 198 T C -0.181 174.667 174.700 0.247 0.000 0.982 198 T CA -0.270 61.969 62.100 0.232 0.000 0.978 198 T CB 0.757 69.717 68.868 0.153 0.000 0.930 198 T HN 0.334 nan 8.240 nan 0.000 0.447 199 L N 5.502 126.861 121.223 0.228 0.000 2.305 199 L HA 0.583 4.926 4.340 0.005 0.000 0.281 199 L C -0.467 176.619 176.870 0.360 0.000 1.085 199 L CA -0.760 54.178 54.840 0.163 0.000 0.813 199 L CB 0.326 42.271 42.059 -0.190 0.000 1.157 199 L HN 0.606 nan 8.230 nan 0.000 0.436 200 F N 1.126 121.152 119.950 0.127 0.000 2.576 200 F HA 0.957 5.487 4.527 0.004 0.000 0.313 200 F C -0.207 175.582 175.800 -0.018 0.000 1.078 200 F CA -1.682 56.435 58.000 0.194 0.000 0.921 200 F CB 1.445 40.707 39.000 0.438 0.000 1.232 200 F HN 0.400 nan 8.300 nan 0.000 0.459 201 G N 1.190 109.875 108.800 -0.192 0.000 2.682 201 G HA2 0.554 4.517 3.960 0.005 0.000 0.290 201 G HA3 0.554 4.517 3.960 0.005 0.000 0.290 201 G C -2.243 172.440 174.900 -0.361 0.000 1.425 201 G CA -0.705 43.925 45.100 -0.783 0.000 0.807 201 G HN 0.867 nan 8.290 nan 0.000 0.482 205 G N 0.699 109.283 108.800 -0.359 0.000 2.440 205 G HA2 0.078 4.040 3.960 0.005 0.000 0.218 205 G HA3 0.078 4.040 3.960 0.005 0.000 0.218 205 G C 1.693 176.411 174.900 -0.303 0.000 1.154 205 G CA 2.040 46.885 45.100 -0.426 0.000 0.767 205 G HN 1.284 nan 8.290 nan 0.000 0.552 206 A N 1.363 124.078 122.820 -0.176 0.000 1.865 206 A HA 0.177 4.500 4.320 0.005 0.000 0.217 206 A C 2.875 180.437 177.584 -0.036 0.000 1.191 206 A CA 2.587 54.588 52.037 -0.060 0.000 0.623 206 A CB -1.033 17.992 19.000 0.042 0.000 0.826 206 A HN 0.911 nan 8.150 nan 0.000 0.444 207 A N -0.352 122.472 122.820 0.007 0.000 1.917 207 A HA -0.134 4.189 4.320 0.005 0.000 0.219 207 A C 2.451 180.026 177.584 -0.016 0.000 1.182 207 A CA 2.356 54.390 52.037 -0.005 0.000 0.633 207 A CB -1.015 18.016 19.000 0.051 0.000 0.819 207 A HN 0.520 nan 8.150 nan 0.000 0.448 208 S N -0.374 115.307 115.700 -0.033 0.000 2.353 208 S HA -0.159 4.314 4.470 0.005 0.000 0.222 208 S C 1.892 176.448 174.600 -0.073 0.000 1.035 208 S CA 1.454 59.593 58.200 -0.100 0.000 1.025 208 S CB -0.768 62.311 63.200 -0.201 0.000 0.902 208 S HN 0.343 nan 8.310 nan 0.000 0.440 209 V N 2.053 121.940 119.914 -0.045 0.000 2.252 209 V HA -0.228 3.895 4.120 0.005 0.000 0.249 209 V C 2.715 178.809 176.094 0.001 0.000 1.056 209 V CA 2.100 64.386 62.300 -0.023 0.000 1.022 209 V CB -1.696 30.085 31.823 -0.069 0.000 0.641 209 V HN 0.611 nan 8.190 nan 0.000 0.445 210 G N -0.840 107.952 108.800 -0.015 0.000 2.513 210 G HA2 -0.356 3.607 3.960 0.005 0.000 0.219 210 G HA3 -0.356 3.607 3.960 0.005 0.000 0.219 210 G C 1.600 176.512 174.900 0.021 0.000 1.160 210 G CA 1.528 46.623 45.100 -0.008 0.000 0.767 210 G HN 0.477 nan 8.290 nan 0.000 0.571 211 M N -0.303 119.284 119.600 -0.021 0.000 2.394 211 M HA 0.063 4.546 4.480 0.005 0.000 0.264 211 M C 2.220 178.557 176.300 0.063 0.000 1.073 211 M CA 0.661 55.971 55.300 0.016 0.000 1.111 211 M CB -0.097 32.483 32.600 -0.034 0.000 1.401 211 M HN 0.236 nan 8.290 nan 0.000 0.448 212 H N -0.176 118.979 119.070 0.143 0.000 2.363 212 H HA 0.019 4.577 4.556 0.004 0.000 0.301 212 H C 2.109 177.630 175.328 0.323 0.000 1.074 212 H CA 1.421 57.561 56.048 0.154 0.000 1.354 212 H CB -0.279 29.404 29.762 -0.133 0.000 1.397 212 H HN 0.376 nan 8.280 nan 0.000 0.516 213 I N 0.796 121.632 120.570 0.442 0.000 2.423 213 I HA -0.248 3.925 4.170 0.005 0.000 0.254 213 I C 1.850 178.152 176.117 0.308 0.000 1.151 213 I CA 1.081 62.652 61.300 0.451 0.000 1.421 213 I CB -0.043 38.118 38.000 0.269 0.000 1.079 213 I HN 0.123 nan 8.210 nan 0.000 0.431 214 L N -1.378 119.975 121.223 0.217 0.000 2.590 214 L HA 0.139 4.482 4.340 0.005 0.000 0.227 214 L C 0.997 177.916 176.870 0.083 0.000 1.099 214 L CA 0.058 55.002 54.840 0.173 0.000 0.872 214 L CB 0.257 42.395 42.059 0.133 0.000 1.088 214 L HN -0.031 nan 8.230 nan 0.000 0.479 215 S N 0.275 115.992 115.700 0.029 0.000 2.528 215 S HA 0.182 4.654 4.470 0.005 0.000 0.303 215 S C 0.795 175.323 174.600 -0.120 0.000 1.123 215 S CA -0.543 57.545 58.200 -0.185 0.000 1.138 215 S CB 0.814 63.599 63.200 -0.693 0.000 0.984 215 S HN 0.230 nan 8.310 nan 0.000 0.474 216 L N 7.364 128.539 121.223 -0.080 0.000 2.064 216 L HA 0.002 4.344 4.340 0.005 0.000 0.216 216 L C -1.155 175.685 176.870 -0.051 0.000 1.077 216 L CA 2.260 57.071 54.840 -0.048 0.000 0.766 216 L CB -1.134 40.894 42.059 -0.051 0.000 0.890 216 L HN 0.439 nan 8.230 nan 0.000 0.435 217 P HA -0.107 nan 4.420 nan 0.000 0.222 217 P C 1.446 178.745 177.300 -0.001 0.000 1.142 217 P CA 1.525 64.593 63.100 -0.054 0.000 0.788 217 P CB -0.023 31.626 31.700 -0.084 0.000 0.767 218 S N -1.532 114.188 115.700 0.035 0.000 2.486 218 S HA 0.075 4.548 4.470 0.005 0.000 0.220 218 S C 1.804 176.563 174.600 0.265 0.000 1.011 218 S CA 0.046 58.364 58.200 0.197 0.000 0.921 218 S CB -0.199 63.224 63.200 0.372 0.000 0.785 218 S HN 0.054 nan 8.310 nan 0.000 0.517 219 R N 2.105 122.664 120.500 0.098 0.000 2.127 219 R HA -0.028 4.315 4.340 0.005 0.000 0.238 219 R C 2.301 178.402 176.300 -0.333 0.000 1.134 219 R CA 1.441 57.420 56.100 -0.203 0.000 0.975 219 R CB -1.050 29.156 30.300 -0.155 0.000 0.865 219 R HN 0.549 nan 8.270 nan 0.000 0.447 220 S N -0.153 115.461 115.700 -0.143 0.000 2.607 220 S HA 0.052 4.525 4.470 0.005 0.000 0.224 220 S C 1.557 176.081 174.600 -0.125 0.000 0.969 220 S CA 0.227 58.347 58.200 -0.134 0.000 0.927 220 S CB -0.134 63.032 63.200 -0.057 0.000 0.772 220 S HN 0.257 nan 8.310 nan 0.000 0.533 221 L N 0.416 121.599 121.223 -0.067 0.000 2.766 221 L HA 0.515 4.858 4.340 0.005 0.000 0.242 221 L C -0.058 176.855 176.870 0.071 0.000 1.136 221 L CA -0.503 54.354 54.840 0.028 0.000 0.933 221 L CB -0.049 42.078 42.059 0.113 0.000 1.241 221 L HN 0.500 nan 8.230 nan 0.000 0.522 222 F N -3.995 115.747 119.950 -0.347 0.000 2.779 222 F HA 0.505 5.034 4.527 0.004 0.000 0.316 222 F C 0.277 175.726 175.800 -0.585 0.000 1.164 222 F CA -1.008 56.756 58.000 -0.393 0.000 0.924 222 F CB 0.842 39.770 39.000 -0.121 0.000 1.348 222 F HN -0.171 nan 8.300 nan 0.000 0.467 223 H N -0.799 118.303 119.070 0.053 0.000 2.824 223 H HA 0.425 4.983 4.556 0.004 0.000 0.238 223 H C -0.065 175.270 175.328 0.012 0.000 0.931 223 H CA -0.039 55.964 56.048 -0.075 0.000 1.090 223 H CB 0.891 30.625 29.762 -0.046 0.000 1.433 223 H HN 0.409 nan 8.280 nan 0.000 0.437 224 R N 0.397 121.060 120.500 0.272 0.000 2.888 224 R HA 0.747 5.090 4.340 0.005 0.000 0.266 224 R C -1.199 175.377 176.300 0.460 0.000 1.020 224 R CA -0.640 55.615 56.100 0.258 0.000 0.963 224 R CB 2.717 32.989 30.300 -0.047 0.000 1.197 224 R HN 0.179 nan 8.270 nan 0.000 0.481 225 A N 0.913 124.034 122.820 0.501 0.000 2.520 225 A HA 0.620 4.942 4.320 0.005 0.000 0.298 225 A C -1.518 176.208 177.584 0.237 0.000 1.051 225 A CA -0.590 51.665 52.037 0.362 0.000 0.690 225 A CB 1.744 20.943 19.000 0.332 0.000 1.281 225 A HN 0.333 nan 8.150 nan 0.000 0.402 226 V N 2.002 122.014 119.914 0.164 0.000 2.540 226 V HA 0.578 4.700 4.120 0.005 0.000 0.302 226 V C -1.082 175.093 176.094 0.135 0.000 1.035 226 V CA -0.404 61.927 62.300 0.051 0.000 0.873 226 V CB 1.430 33.302 31.823 0.082 0.000 0.992 226 V HN 0.695 nan 8.190 nan 0.000 0.428 227 L N 4.795 126.075 121.223 0.094 0.000 2.345 227 L HA 0.515 4.858 4.340 0.005 0.000 0.274 227 L C -0.093 176.879 176.870 0.169 0.000 0.999 227 L CA -0.021 54.879 54.840 0.100 0.000 0.849 227 L CB 1.516 43.591 42.059 0.027 0.000 1.220 227 L HN 0.626 nan 8.230 nan 0.000 0.422 228 Q N 1.772 121.724 119.800 0.254 0.000 2.303 228 Q HA 0.445 4.788 4.340 0.005 0.000 0.257 228 Q C 0.120 176.229 176.000 0.182 0.000 0.941 228 Q CA -0.540 55.460 55.803 0.328 0.000 0.931 228 Q CB 1.216 30.228 28.738 0.457 0.000 1.215 228 Q HN 0.611 nan 8.270 nan 0.000 0.437 229 S N 1.289 117.080 115.700 0.152 0.000 3.405 229 S HA -0.129 4.344 4.470 0.005 0.000 0.373 229 S C 0.104 174.854 174.600 0.250 0.000 0.939 229 S CA 0.380 58.682 58.200 0.171 0.000 1.295 229 S CB -1.389 61.898 63.200 0.144 0.000 0.919 229 S HN 1.023 nan 8.310 nan 0.000 0.535 230 G N -0.199 108.729 108.800 0.214 0.000 2.377 230 G HA2 0.649 4.612 3.960 0.005 0.000 0.297 230 G HA3 0.649 4.612 3.960 0.005 0.000 0.297 230 G C -0.901 174.077 174.900 0.130 0.000 1.547 230 G CA 0.085 45.370 45.100 0.308 0.000 0.833 230 G HN 1.191 nan 8.290 nan 0.000 0.583 231 T N -1.651 112.931 114.554 0.047 0.000 2.821 231 T HA 0.758 5.111 4.350 0.005 0.000 0.306 231 T C -2.533 172.031 174.700 -0.226 0.000 1.313 231 T CA -1.064 60.980 62.100 -0.094 0.000 1.012 231 T CB 2.852 71.651 68.868 -0.116 0.000 1.298 231 T HN 0.345 nan 8.240 nan 0.000 0.502 232 P HA 0.055 nan 4.420 nan 0.000 0.226 232 P C 0.165 177.311 177.300 -0.257 0.000 1.161 232 P CA 0.446 63.422 63.100 -0.207 0.000 0.804 232 P CB -0.018 31.615 31.700 -0.111 0.000 0.829 233 N N 0.740 119.307 118.700 -0.220 0.000 2.408 233 N HA 0.326 5.069 4.740 0.005 0.000 0.260 233 N C 0.729 176.045 175.510 -0.323 0.000 1.242 233 N CA 0.521 53.441 53.050 -0.216 0.000 0.959 233 N CB 0.255 38.658 38.487 -0.140 0.000 1.201 233 N HN 0.183 nan 8.380 nan 0.000 0.511 234 G N -0.649 107.975 108.800 -0.294 0.000 2.541 234 G HA2 -0.116 3.847 3.960 0.005 0.000 0.686 234 G HA3 -0.116 3.847 3.960 0.005 0.000 0.686 234 G C -2.234 172.414 174.900 -0.419 0.000 1.286 234 G CA -0.230 44.646 45.100 -0.373 0.000 0.894 234 G HN 0.541 nan 8.290 nan 0.000 0.575 235 P HA 0.119 nan 4.420 nan 0.000 0.235 235 P C 1.431 178.631 177.300 -0.167 0.000 1.177 235 P CA 1.894 64.836 63.100 -0.264 0.000 0.785 235 P CB -0.030 31.494 31.700 -0.293 0.000 0.885 236 W N -1.589 119.620 121.300 -0.153 0.000 2.975 236 W HA 0.589 5.251 4.660 0.003 0.000 0.316 236 W C 1.015 177.599 176.519 0.109 0.000 1.131 236 W CA 0.382 57.698 57.345 -0.050 0.000 1.624 236 W CB -0.764 28.704 29.460 0.015 0.000 1.038 236 W HN -0.165 nan 8.180 nan 0.000 0.571 237 A N 1.866 124.357 122.820 -0.549 0.000 2.123 237 A HA 0.161 4.484 4.320 0.005 0.000 0.214 237 A C 1.097 178.539 177.584 -0.237 0.000 1.152 237 A CA 1.734 53.519 52.037 -0.420 0.000 0.728 237 A CB -0.690 17.794 19.000 -0.859 0.000 0.814 237 A HN 0.224 nan 8.150 nan 0.000 0.464 238 T N -3.303 111.121 114.554 -0.216 0.000 2.841 238 T HA 0.606 4.959 4.350 0.005 0.000 0.296 238 T C -0.800 173.819 174.700 -0.134 0.000 1.166 238 T CA -0.132 61.851 62.100 -0.195 0.000 1.007 238 T CB 1.455 70.219 68.868 -0.173 0.000 1.253 238 T HN 0.825 nan 8.240 nan 0.000 0.511 239 V N -1.091 118.753 119.914 -0.116 0.000 2.876 239 V HA 0.852 4.975 4.120 0.005 0.000 0.312 239 V C 0.265 176.322 176.094 -0.062 0.000 1.085 239 V CA -0.981 61.269 62.300 -0.083 0.000 0.945 239 V CB 1.330 33.107 31.823 -0.077 0.000 1.017 239 V HN 1.347 nan 8.190 nan 0.000 0.428 240 S N 2.638 118.307 115.700 -0.052 0.000 2.568 240 S HA 0.482 4.955 4.470 0.005 0.000 0.282 240 S C 1.501 176.084 174.600 -0.029 0.000 1.338 240 S CA 0.129 58.306 58.200 -0.038 0.000 1.045 240 S CB 1.241 64.420 63.200 -0.035 0.000 0.873 240 S HN 1.985 nan 8.310 nan 0.000 0.516 241 A N 3.743 126.551 122.820 -0.020 0.000 1.903 241 A HA -0.030 4.293 4.320 0.005 0.000 0.219 241 A C 2.260 179.836 177.584 -0.014 0.000 1.191 241 A CA 2.161 54.191 52.037 -0.012 0.000 0.638 241 A CB -1.912 17.084 19.000 -0.007 0.000 0.823 241 A HN 1.226 nan 8.150 nan 0.000 0.451 242 G N -0.662 108.128 108.800 -0.018 0.000 2.446 242 G HA2 -0.263 3.700 3.960 0.005 0.000 0.217 242 G HA3 -0.263 3.700 3.960 0.005 0.000 0.217 242 G C 1.478 176.364 174.900 -0.023 0.000 1.168 242 G CA 1.485 46.574 45.100 -0.019 0.000 0.771 242 G HN 0.608 nan 8.290 nan 0.000 0.551 243 E N 1.108 121.290 120.200 -0.030 0.000 2.028 243 E HA 0.033 4.386 4.350 0.005 0.000 0.191 243 E C 2.714 179.289 176.600 -0.041 0.000 0.988 243 E CA 1.568 57.944 56.400 -0.040 0.000 0.799 243 E CB -0.751 28.919 29.700 -0.050 0.000 0.755 243 E HN 0.265 nan 8.360 nan 0.000 0.447 244 A N 1.106 123.908 122.820 -0.030 0.000 1.958 244 A HA -0.285 4.038 4.320 0.005 0.000 0.221 244 A C 2.328 179.925 177.584 0.021 0.000 1.178 244 A CA 2.138 54.175 52.037 -0.001 0.000 0.642 244 A CB -0.751 18.260 19.000 0.017 0.000 0.816 244 A HN 0.324 nan 8.150 nan 0.000 0.453 245 R N -0.849 119.651 120.500 0.001 0.000 2.075 245 R HA -0.079 4.264 4.340 0.005 0.000 0.232 245 R C 2.451 178.749 176.300 -0.004 0.000 1.126 245 R CA 1.306 57.403 56.100 -0.004 0.000 0.963 245 R CB -0.315 29.977 30.300 -0.013 0.000 0.858 245 R HN 0.517 nan 8.270 nan 0.000 0.435 246 R N 0.476 120.968 120.500 -0.013 0.000 2.073 246 R HA -0.124 4.219 4.340 0.005 0.000 0.234 246 R C 2.288 178.581 176.300 -0.011 0.000 1.134 246 R CA 1.807 57.897 56.100 -0.017 0.000 0.952 246 R CB -0.070 30.214 30.300 -0.026 0.000 0.850 246 R HN 0.282 nan 8.270 nan 0.000 0.433 247 R N -0.236 120.250 120.500 -0.022 0.000 2.073 247 R HA -0.071 4.271 4.340 0.005 0.000 0.234 247 R C 2.372 178.742 176.300 0.116 0.000 1.134 247 R CA 1.343 57.422 56.100 -0.034 0.000 0.952 247 R CB -0.440 29.733 30.300 -0.213 0.000 0.850 247 R HN 0.216 nan 8.270 nan 0.000 0.433 248 A N 0.729 123.654 122.820 0.174 0.000 1.908 248 A HA -0.187 4.136 4.320 0.005 0.000 0.218 248 A C 2.183 179.780 177.584 0.021 0.000 1.181 248 A CA 2.111 54.228 52.037 0.133 0.000 0.627 248 A CB -0.862 18.150 19.000 0.019 0.000 0.818 248 A HN 0.315 nan 8.150 nan 0.000 0.445 249 T N -0.062 114.496 114.554 0.006 0.000 2.701 249 T HA -0.104 4.249 4.350 0.005 0.000 0.263 249 T C 1.844 176.541 174.700 -0.004 0.000 1.040 249 T CA 1.401 63.491 62.100 -0.016 0.000 1.147 249 T CB -0.398 68.460 68.868 -0.016 0.000 0.865 249 T HN 0.319 nan 8.240 nan 0.000 0.426 250 L N 1.186 122.416 121.223 0.012 0.000 2.079 250 L HA 0.073 4.416 4.340 0.005 0.000 0.210 250 L C 2.161 179.049 176.870 0.030 0.000 1.081 250 L CA 1.466 56.315 54.840 0.016 0.000 0.752 250 L CB -0.973 41.095 42.059 0.015 0.000 0.896 250 L HN 0.240 nan 8.230 nan 0.000 0.433 251 L N -0.688 120.575 121.223 0.068 0.000 2.056 251 L HA -0.103 4.240 4.340 0.005 0.000 0.207 251 L C 2.521 179.383 176.870 -0.013 0.000 1.078 251 L CA 1.602 56.486 54.840 0.073 0.000 0.749 251 L CB -0.548 41.621 42.059 0.182 0.000 0.901 251 L HN 0.310 nan 8.230 nan 0.000 0.433 252 A N -0.174 122.626 122.820 -0.034 0.000 1.883 252 A HA -0.276 4.047 4.320 0.005 0.000 0.217 252 A C 2.381 179.932 177.584 -0.054 0.000 1.186 252 A CA 1.968 53.969 52.037 -0.059 0.000 0.624 252 A CB -0.669 18.290 19.000 -0.068 0.000 0.822 252 A HN 0.465 nan 8.150 nan 0.000 0.444 253 R N -0.688 119.788 120.500 -0.040 0.000 2.096 253 R HA -0.134 4.208 4.340 0.005 0.000 0.240 253 R C 2.099 178.360 176.300 -0.065 0.000 1.139 253 R CA 1.701 57.777 56.100 -0.039 0.000 0.952 253 R CB -0.541 29.745 30.300 -0.022 0.000 0.854 253 R HN 0.555 nan 8.270 nan 0.000 0.436 254 L N 0.500 121.672 121.223 -0.084 0.000 2.083 254 L HA -0.131 4.212 4.340 0.005 0.000 0.209 254 L C 2.255 178.924 176.870 -0.335 0.000 1.083 254 L CA 1.184 55.921 54.840 -0.172 0.000 0.752 254 L CB -0.419 41.551 42.059 -0.147 0.000 0.899 254 L HN 0.217 nan 8.230 nan 0.000 0.433 255 V N -3.395 116.366 119.914 -0.255 0.000 3.649 255 V HA 0.418 4.541 4.120 0.005 0.000 0.275 255 V C 0.898 176.934 176.094 -0.097 0.000 1.281 255 V CA 0.202 62.377 62.300 -0.208 0.000 1.143 255 V CB -0.496 31.258 31.823 -0.115 0.000 0.892 255 V HN 0.460 nan 8.190 nan 0.000 0.441 256 G N -0.526 108.225 108.800 -0.081 0.000 2.858 256 G HA2 -0.120 3.843 3.960 0.005 0.000 0.266 256 G HA3 -0.120 3.843 3.960 0.005 0.000 0.266 256 G C -0.489 174.392 174.900 -0.032 0.000 1.023 256 G CA -0.231 44.842 45.100 -0.045 0.000 1.172 256 G HN 0.786 nan 8.290 nan 0.000 0.523 266 D N 1.080 121.465 120.400 -0.026 0.000 2.133 266 D HA -0.166 4.477 4.640 0.005 0.000 0.192 266 D C 1.575 177.854 176.300 -0.035 0.000 1.001 266 D CA 2.045 56.023 54.000 -0.037 0.000 0.844 266 D CB -0.047 40.732 40.800 -0.036 0.000 0.944 266 D HN 0.573 nan 8.370 nan 0.000 0.447 267 T N 0.662 115.203 114.554 -0.021 0.000 2.597 267 T HA -0.246 4.107 4.350 0.005 0.000 0.267 267 T C 1.804 176.497 174.700 -0.011 0.000 1.053 267 T CA 1.734 63.827 62.100 -0.012 0.000 1.165 267 T CB -0.431 68.434 68.868 -0.004 0.000 0.863 267 T HN 0.329 nan 8.240 nan 0.000 0.427 268 E N 0.429 120.622 120.200 -0.012 0.000 2.153 268 E HA -0.112 4.241 4.350 0.005 0.000 0.194 268 E C 2.189 178.780 176.600 -0.015 0.000 0.988 268 E CA 0.713 57.108 56.400 -0.010 0.000 0.811 268 E CB -0.188 29.506 29.700 -0.009 0.000 0.746 268 E HN 0.456 nan 8.360 nan 0.000 0.466 269 L N 0.352 121.558 121.223 -0.029 0.000 2.023 269 L HA -0.121 4.222 4.340 0.005 0.000 0.205 269 L C 2.269 179.106 176.870 -0.056 0.000 1.073 269 L CA 1.109 55.922 54.840 -0.045 0.000 0.745 269 L CB -0.117 41.906 42.059 -0.060 0.000 0.900 269 L HN 0.162 nan 8.230 nan 0.000 0.435 270 I N -0.029 120.500 120.570 -0.069 0.000 2.179 270 I HA -0.280 3.893 4.170 0.005 0.000 0.242 270 I C 2.773 178.910 176.117 0.034 0.000 1.088 270 I CA 1.123 62.383 61.300 -0.068 0.000 1.357 270 I CB -0.715 37.239 38.000 -0.077 0.000 1.051 270 I HN 0.329 nan 8.210 nan 0.000 0.409 271 A N -0.038 122.798 122.820 0.027 0.000 1.940 271 A HA -0.360 3.963 4.320 0.005 0.000 0.221 271 A C 2.550 180.156 177.584 0.037 0.000 1.190 271 A CA 2.360 54.419 52.037 0.037 0.000 0.647 271 A CB -1.495 17.517 19.000 0.020 0.000 0.821 271 A HN 0.668 nan 8.150 nan 0.000 0.457 272 c N -0.718 117.894 118.600 0.019 0.000 2.473 272 c HA -0.009 4.564 4.570 0.005 0.000 0.279 272 c C 2.592 176.702 174.090 0.033 0.000 1.250 272 c CA 1.107 57.445 56.329 0.015 0.000 1.713 272 c CB -1.592 40.916 42.510 -0.003 0.000 2.066 272 c HN 0.606 nan 8.230 nan 0.000 0.474 273 L N 0.585 121.831 121.223 0.039 0.000 2.021 273 L HA -0.223 4.120 4.340 0.005 0.000 0.215 273 L C 3.020 179.993 176.870 0.171 0.000 1.074 273 L CA 1.985 56.881 54.840 0.094 0.000 0.760 273 L CB -0.754 41.342 42.059 0.062 0.000 0.889 273 L HN 0.396 nan 8.230 nan 0.000 0.433 274 R N -0.567 120.053 120.500 0.201 0.000 2.200 274 R HA -0.147 4.196 4.340 0.005 0.000 0.234 274 R C 2.211 178.535 176.300 0.041 0.000 1.127 274 R CA 1.771 57.940 56.100 0.114 0.000 0.989 274 R CB -0.440 29.922 30.300 0.104 0.000 0.869 274 R HN 0.582 nan 8.270 nan 0.000 0.459 275 T N -1.654 112.925 114.554 0.042 0.000 3.067 275 T HA 0.076 4.429 4.350 0.005 0.000 0.261 275 T C 0.931 175.642 174.700 0.019 0.000 1.110 275 T CA -0.049 62.065 62.100 0.023 0.000 1.113 275 T CB 0.163 69.042 68.868 0.020 0.000 0.917 275 T HN -0.114 nan 8.240 nan 0.000 0.499 276 R N 2.788 123.303 120.500 0.025 0.000 2.438 276 R HA 0.401 4.744 4.340 0.005 0.000 0.287 276 R C -2.673 173.635 176.300 0.013 0.000 1.077 276 R CA -2.536 53.578 56.100 0.023 0.000 1.034 276 R CB -0.129 30.188 30.300 0.028 0.000 0.993 276 R HN 0.278 nan 8.270 nan 0.000 0.459 277 P HA 0.027 nan 4.420 nan 0.000 0.269 277 P C 0.309 177.588 177.300 -0.034 0.000 1.215 277 P CA 0.067 63.156 63.100 -0.017 0.000 0.780 277 P CB 0.573 32.271 31.700 -0.004 0.000 0.898 278 A N 2.032 124.774 122.820 -0.129 0.000 1.892 278 A HA -0.297 4.026 4.320 0.005 0.000 0.218 278 A C 2.190 179.688 177.584 -0.144 0.000 1.188 278 A CA 2.014 53.947 52.037 -0.173 0.000 0.631 278 A CB -1.425 17.057 19.000 -0.863 0.000 0.822 278 A HN 0.526 nan 8.150 nan 0.000 0.447 279 Q N 0.041 119.713 119.800 -0.212 0.000 2.112 279 Q HA -0.206 4.137 4.340 0.005 0.000 0.206 279 Q C 1.440 177.509 176.000 0.115 0.000 0.987 279 Q CA 2.235 58.064 55.803 0.044 0.000 0.858 279 Q CB -0.512 28.289 28.738 0.105 0.000 0.905 279 Q HN 0.675 nan 8.270 nan 0.000 0.420 280 D N -0.625 119.834 120.400 0.099 0.000 2.104 280 D HA -0.161 4.482 4.640 0.005 0.000 0.194 280 D C 1.831 178.257 176.300 0.210 0.000 0.994 280 D CA 1.172 55.276 54.000 0.173 0.000 0.830 280 D CB -0.252 40.637 40.800 0.149 0.000 0.959 280 D HN 0.278 nan 8.370 nan 0.000 0.452 281 L N 0.088 121.377 121.223 0.110 0.000 2.012 281 L HA -0.172 4.171 4.340 0.005 0.000 0.210 281 L C 2.514 179.444 176.870 0.100 0.000 1.073 281 L CA 0.738 55.597 54.840 0.031 0.000 0.748 281 L CB -0.579 41.350 42.059 -0.216 0.000 0.891 281 L HN -0.008 nan 8.230 nan 0.000 0.431 282 V N -0.103 119.936 119.914 0.208 0.000 2.255 282 V HA -0.314 3.809 4.120 0.005 0.000 0.247 282 V C 2.029 178.252 176.094 0.215 0.000 1.051 282 V CA 2.064 64.546 62.300 0.303 0.000 1.018 282 V CB -0.603 31.497 31.823 0.463 0.000 0.641 282 V HN 0.434 nan 8.190 nan 0.000 0.445 283 D N -0.954 119.526 120.400 0.134 0.000 2.315 283 D HA -0.161 4.482 4.640 0.005 0.000 0.211 283 D C 1.644 177.730 176.300 -0.356 0.000 0.977 283 D CA 1.457 55.415 54.000 -0.070 0.000 0.894 283 D CB -0.229 40.480 40.800 -0.152 0.000 0.910 283 D HN 0.688 nan 8.370 nan 0.000 0.490 284 H N -1.420 117.648 119.070 -0.004 0.000 3.058 284 H HA 0.122 4.680 4.556 0.005 0.000 0.266 284 H C 1.472 176.775 175.328 -0.042 0.000 1.135 284 H CA 0.037 56.049 56.048 -0.060 0.000 1.174 284 H CB 0.500 30.289 29.762 0.045 0.000 1.581 284 H HN 0.211 nan 8.280 nan 0.000 0.553 285 E N 0.343 120.564 120.200 0.034 0.000 2.338 285 E HA -0.169 4.184 4.350 0.005 0.000 0.197 285 E C 0.602 177.028 176.600 -0.291 0.000 1.007 285 E CA 0.839 57.218 56.400 -0.037 0.000 0.849 285 E CB -0.112 29.549 29.700 -0.066 0.000 0.774 285 E HN 0.568 nan 8.360 nan 0.000 0.506 286 W N 0.074 121.312 121.300 -0.104 0.000 2.942 286 W HA 0.132 4.795 4.660 0.004 0.000 0.263 286 W C 1.285 177.857 176.519 0.088 0.000 1.296 286 W CA -0.145 57.142 57.345 -0.098 0.000 1.504 286 W CB 0.347 29.668 29.460 -0.231 0.000 1.096 286 W HN 0.153 nan 8.180 nan 0.000 0.639 287 H N -0.497 118.694 119.070 0.202 0.000 2.536 287 H HA 0.146 4.705 4.556 0.005 0.000 0.276 287 H C 1.819 177.205 175.328 0.096 0.000 1.019 287 H CA 0.076 56.216 56.048 0.153 0.000 1.159 287 H CB -0.487 29.387 29.762 0.187 0.000 1.373 287 H HN 0.034 nan 8.280 nan 0.000 0.584 288 V N -0.009 119.999 119.914 0.157 0.000 2.725 288 V HA -0.010 4.113 4.120 0.005 0.000 0.247 288 V C 1.054 177.158 176.094 0.016 0.000 1.058 288 V CA 0.839 63.171 62.300 0.053 0.000 1.080 288 V CB 0.143 31.938 31.823 -0.046 0.000 0.713 288 V HN 0.183 nan 8.190 nan 0.000 0.465 289 L N 1.213 122.454 121.223 0.029 0.000 2.335 289 L HA 0.320 4.663 4.340 0.005 0.000 0.268 289 L C -1.699 175.212 176.870 0.069 0.000 1.037 289 L CA -1.389 53.467 54.840 0.025 0.000 0.895 289 L CB 1.219 43.275 42.059 -0.004 0.000 1.266 289 L HN 0.088 nan 8.230 nan 0.000 0.439 290 P HA -0.175 nan 4.420 nan 0.000 0.216 290 P C 0.063 177.384 177.300 0.036 0.000 1.150 290 P CA 0.773 63.899 63.100 0.043 0.000 0.837 290 P CB 0.103 31.813 31.700 0.018 0.000 0.786 291 Q N 1.209 121.023 119.800 0.023 0.000 3.892 291 Q HA -0.170 4.173 4.340 0.005 0.000 0.387 291 Q C -0.198 175.816 176.000 0.024 0.000 1.062 291 Q CA 0.542 56.354 55.803 0.015 0.000 1.333 291 Q CB -0.910 27.829 28.738 0.002 0.000 0.993 291 Q HN 0.428 nan 8.270 nan 0.000 0.454 292 E N 1.599 121.813 120.200 0.023 0.000 2.480 292 E HA 0.118 4.471 4.350 0.005 0.000 0.258 292 E C -0.298 176.318 176.600 0.026 0.000 0.984 292 E CA 0.257 56.674 56.400 0.029 0.000 0.930 292 E CB 0.714 30.429 29.700 0.025 0.000 0.936 292 E HN 0.411 nan 8.360 nan 0.000 0.466 293 S N 2.551 118.274 115.700 0.038 0.000 2.614 293 S HA 0.222 4.695 4.470 0.005 0.000 0.280 293 S C 0.054 174.689 174.600 0.059 0.000 1.111 293 S CA -0.720 57.501 58.200 0.035 0.000 0.847 293 S CB 0.605 63.813 63.200 0.014 0.000 1.079 293 S HN 0.480 nan 8.310 nan 0.000 0.452 294 I N 1.175 121.802 120.570 0.094 0.000 2.594 294 I HA 0.237 4.409 4.170 0.005 0.000 0.237 294 I C 0.481 176.596 176.117 -0.003 0.000 1.071 294 I CA 0.410 61.790 61.300 0.133 0.000 1.427 294 I CB -0.193 37.976 38.000 0.282 0.000 1.218 294 I HN 0.540 nan 8.210 nan 0.000 0.444 295 F N 3.620 123.311 119.950 -0.432 0.000 2.727 295 F HA 0.131 4.661 4.527 0.005 0.000 0.349 295 F C 0.817 176.080 175.800 -0.894 0.000 1.172 295 F CA -0.576 56.845 58.000 -0.965 0.000 1.355 295 F CB -1.169 37.296 39.000 -0.891 0.000 1.546 295 F HN 0.102 nan 8.300 nan 0.000 0.596 296 R N 0.110 120.406 120.500 -0.341 0.000 2.891 296 R HA 0.337 4.680 4.340 0.005 0.000 0.248 296 R C -1.435 174.830 176.300 -0.059 0.000 1.439 296 R CA -0.231 55.775 56.100 -0.156 0.000 1.288 296 R CB -0.813 29.507 30.300 0.034 0.000 1.212 296 R HN -0.048 nan 8.270 nan 0.000 0.605 297 F N 0.724 120.711 119.950 0.063 0.000 2.404 297 F HA 0.322 4.851 4.527 0.004 0.000 0.354 297 F C 1.132 176.825 175.800 -0.180 0.000 1.122 297 F CA -1.521 56.451 58.000 -0.046 0.000 1.080 297 F CB 1.662 40.766 39.000 0.173 0.000 1.131 297 F HN 0.274 nan 8.300 nan 0.000 0.471 298 S N 1.346 116.894 115.700 -0.252 0.000 2.406 298 S HA 0.019 4.492 4.470 0.005 0.000 0.228 298 S C 0.101 174.218 174.600 -0.806 0.000 1.020 298 S CA 0.768 58.588 58.200 -0.633 0.000 0.965 298 S CB -0.256 62.362 63.200 -0.969 0.000 0.798 298 S HN 0.368 nan 8.310 nan 0.000 0.488 299 F N 2.428 122.397 119.950 0.031 0.000 2.443 299 F HA 0.548 5.078 4.527 0.005 0.000 0.369 299 F C -0.074 175.729 175.800 0.003 0.000 1.090 299 F CA -1.252 56.790 58.000 0.070 0.000 1.129 299 F CB 1.084 40.160 39.000 0.127 0.000 1.367 299 F HN -0.100 nan 8.300 nan 0.000 0.465 300 V N 0.009 119.880 119.914 -0.071 0.000 3.126 300 V HA 0.758 4.881 4.120 0.005 0.000 0.314 300 V C -2.778 172.942 176.094 -0.622 0.000 1.138 300 V CA -3.485 58.437 62.300 -0.629 0.000 1.034 300 V CB 1.972 33.619 31.823 -0.294 0.000 1.075 300 V HN 0.196 nan 8.190 nan 0.000 0.442 301 P HA -0.016 nan 4.420 nan 0.000 0.259 301 P C -0.465 176.693 177.300 -0.235 0.000 1.155 301 P CA 0.767 63.574 63.100 -0.489 0.000 0.759 301 P CB 0.216 31.566 31.700 -0.583 0.000 0.753 302 V N 5.942 125.797 119.914 -0.099 0.000 2.481 302 V HA 0.175 4.298 4.120 0.005 0.000 0.286 302 V C -0.048 176.026 176.094 -0.034 0.000 1.042 302 V CA -0.689 61.581 62.300 -0.051 0.000 0.928 302 V CB 1.732 33.554 31.823 -0.002 0.000 0.986 302 V HN 0.130 nan 8.190 nan 0.000 0.462 303 V N 7.795 127.691 119.914 -0.031 0.000 2.364 303 V HA 0.164 4.287 4.120 0.005 0.000 0.252 303 V C 0.789 176.889 176.094 0.010 0.000 1.075 303 V CA 0.382 62.678 62.300 -0.007 0.000 1.033 303 V CB 0.235 32.046 31.823 -0.020 0.000 1.116 303 V HN 1.073 nan 8.190 nan 0.000 0.488 304 D N 2.771 123.193 120.400 0.036 0.000 2.369 304 D HA 0.114 4.757 4.640 0.005 0.000 0.211 304 D C 1.465 177.787 176.300 0.037 0.000 1.077 304 D CA 0.533 54.556 54.000 0.038 0.000 0.842 304 D CB 0.369 41.205 40.800 0.059 0.000 0.947 304 D HN 0.653 nan 8.370 nan 0.000 0.509 305 G N 0.850 109.672 108.800 0.036 0.000 2.225 305 G HA2 -0.315 3.648 3.960 0.005 0.000 0.267 305 G HA3 -0.315 3.648 3.960 0.005 0.000 0.267 305 G C 0.215 175.136 174.900 0.036 0.000 1.024 305 G CA 0.897 46.014 45.100 0.029 0.000 0.784 305 G HN 0.556 nan 8.290 nan 0.000 0.507 306 D N -1.968 118.469 120.400 0.062 0.000 2.912 306 D HA 0.171 4.814 4.640 0.005 0.000 0.170 306 D C 1.605 177.956 176.300 0.084 0.000 1.484 306 D CA 0.358 54.398 54.000 0.067 0.000 1.542 306 D CB -0.728 40.122 40.800 0.083 0.000 1.344 306 D HN 0.070 nan 8.370 nan 0.000 0.222 307 F N 1.424 121.382 119.950 0.013 0.000 2.095 307 F HA 0.206 4.735 4.527 0.004 0.000 0.298 307 F C 0.644 176.444 175.800 0.000 0.000 1.104 307 F CA 1.215 59.223 58.000 0.013 0.000 1.232 307 F CB 0.121 39.127 39.000 0.010 0.000 0.987 307 F HN -0.007 nan 8.300 nan 0.000 0.475 308 L N 0.887 122.284 121.223 0.291 0.000 2.283 308 L HA 0.181 4.524 4.340 0.005 0.000 0.281 308 L C 1.536 178.450 176.870 0.073 0.000 1.033 308 L CA -0.143 54.791 54.840 0.157 0.000 0.848 308 L CB 1.186 43.321 42.059 0.128 0.000 1.226 308 L HN 0.108 nan 8.230 nan 0.000 0.429 309 S N 0.863 116.584 115.700 0.036 0.000 2.419 309 S HA -0.121 4.352 4.470 0.005 0.000 0.235 309 S C 0.502 175.111 174.600 0.016 0.000 1.019 309 S CA 1.123 59.334 58.200 0.017 0.000 0.982 309 S CB 0.034 63.234 63.200 -0.000 0.000 0.789 309 S HN 0.750 nan 8.310 nan 0.000 0.490 310 D N -0.610 119.802 120.400 0.020 0.000 2.713 310 D HA 0.314 4.957 4.640 0.005 0.000 0.306 310 D C -0.845 175.460 176.300 0.008 0.000 1.299 310 D CA 0.225 54.231 54.000 0.011 0.000 0.823 310 D CB 1.115 41.919 40.800 0.006 0.000 1.353 310 D HN 0.210 nan 8.370 nan 0.000 0.447 311 T N -0.842 113.709 114.554 -0.005 0.000 2.937 311 T HA 0.227 4.580 4.350 0.005 0.000 0.316 311 T C -1.801 172.892 174.700 -0.012 0.000 1.079 311 T CA -0.499 61.590 62.100 -0.020 0.000 1.131 311 T CB 0.963 69.814 68.868 -0.030 0.000 1.000 311 T HN 0.133 nan 8.240 nan 0.000 0.549 312 P HA -0.039 nan 4.420 nan 0.000 0.217 312 P C 1.574 178.866 177.300 -0.014 0.000 1.150 312 P CA 0.682 63.770 63.100 -0.021 0.000 0.832 312 P CB 0.065 31.725 31.700 -0.067 0.000 0.787 313 E N -0.181 119.999 120.200 -0.034 0.000 2.070 313 E HA -0.235 4.118 4.350 0.005 0.000 0.197 313 E C 1.904 178.507 176.600 0.006 0.000 1.004 313 E CA 1.581 57.967 56.400 -0.023 0.000 0.805 313 E CB -0.411 29.268 29.700 -0.036 0.000 0.744 313 E HN 0.086 nan 8.360 nan 0.000 0.451 314 A N 0.956 123.780 122.820 0.007 0.000 1.858 314 A HA -0.156 4.167 4.320 0.005 0.000 0.216 314 A C 2.282 179.891 177.584 0.043 0.000 1.190 314 A CA 1.203 53.251 52.037 0.018 0.000 0.617 314 A CB -0.712 18.293 19.000 0.008 0.000 0.827 314 A HN 0.231 nan 8.150 nan 0.000 0.443 315 L N -0.005 121.252 121.223 0.056 0.000 2.046 315 L HA -0.155 4.188 4.340 0.005 0.000 0.208 315 L C 2.574 179.564 176.870 0.200 0.000 1.077 315 L CA 1.576 56.476 54.840 0.099 0.000 0.747 315 L CB -0.753 41.368 42.059 0.102 0.000 0.896 315 L HN 0.673 nan 8.230 nan 0.000 0.432 316 I N -2.562 118.112 120.570 0.174 0.000 2.614 316 I HA -0.164 4.008 4.170 0.005 0.000 0.258 316 I C 1.763 178.014 176.117 0.223 0.000 1.189 316 I CA 1.463 62.893 61.300 0.216 0.000 1.462 316 I CB -0.385 37.639 38.000 0.040 0.000 1.092 316 I HN 0.182 nan 8.210 nan 0.000 0.442 317 N N 0.752 119.531 118.700 0.132 0.000 2.415 317 N HA -0.056 4.687 4.740 0.005 0.000 0.176 317 N C 1.823 177.382 175.510 0.081 0.000 1.042 317 N CA 1.705 54.813 53.050 0.097 0.000 0.902 317 N CB -0.001 38.519 38.487 0.055 0.000 0.986 317 N HN 0.687 nan 8.380 nan 0.000 0.447 318 T N -3.751 110.843 114.554 0.067 0.000 2.955 318 T HA 0.279 4.632 4.350 0.005 0.000 0.251 318 T C 1.082 175.744 174.700 -0.063 0.000 1.002 318 T CA -0.172 61.933 62.100 0.008 0.000 0.970 318 T CB -0.173 68.692 68.868 -0.004 0.000 1.091 318 T HN 0.020 nan 8.240 nan 0.000 0.495 319 G N 1.109 109.846 108.800 -0.104 0.000 2.636 319 G HA2 0.395 4.358 3.960 0.005 0.000 0.246 319 G HA3 0.395 4.358 3.960 0.005 0.000 0.246 319 G C -1.025 173.432 174.900 -0.739 0.000 1.216 319 G CA -0.360 44.470 45.100 -0.450 0.000 0.854 319 G HN 0.420 nan 8.290 nan 0.000 0.572 320 D N -0.627 119.315 120.400 -0.764 0.000 2.233 320 D HA 0.450 5.092 4.640 0.005 0.000 0.240 320 D C -0.476 175.388 176.300 -0.726 0.000 1.074 320 D CA -0.560 53.105 54.000 -0.558 0.000 0.838 320 D CB 0.649 41.288 40.800 -0.267 0.000 1.124 320 D HN 0.104 nan 8.370 nan 0.000 0.475 321 F N 2.527 122.483 119.950 0.011 0.000 2.841 321 F HA 0.236 4.766 4.527 0.005 0.000 0.358 321 F C 1.665 177.475 175.800 0.015 0.000 1.261 321 F CA -0.526 57.484 58.000 0.016 0.000 1.233 321 F CB 0.245 39.264 39.000 0.031 0.000 1.008 321 F HN 0.331 nan 8.300 nan 0.000 0.507 322 Q N 1.718 121.573 119.800 0.092 0.000 2.062 322 Q HA -0.221 4.122 4.340 0.005 0.000 0.209 322 Q C 1.314 177.357 176.000 0.071 0.000 0.996 322 Q CA 2.421 58.262 55.803 0.063 0.000 0.859 322 Q CB -0.108 28.640 28.738 0.016 0.000 0.920 322 Q HN 0.457 nan 8.270 nan 0.000 0.415 323 D N -0.964 119.473 120.400 0.062 0.000 2.561 323 D HA 0.107 4.749 4.640 0.005 0.000 0.232 323 D C -0.626 175.708 176.300 0.057 0.000 1.198 323 D CA -0.119 53.906 54.000 0.042 0.000 0.826 323 D CB -0.140 40.669 40.800 0.014 0.000 0.992 323 D HN 0.121 nan 8.370 nan 0.000 0.490 324 L N 0.667 121.949 121.223 0.099 0.000 2.406 324 L HA 0.357 4.700 4.340 0.005 0.000 0.272 324 L C -1.302 175.648 176.870 0.133 0.000 0.980 324 L CA -0.442 54.468 54.840 0.117 0.000 0.831 324 L CB 2.098 44.258 42.059 0.167 0.000 1.253 324 L HN -0.215 nan 8.230 nan 0.000 0.406 325 Q N 3.728 123.616 119.800 0.147 0.000 2.290 325 Q HA 0.754 5.097 4.340 0.005 0.000 0.259 325 Q C -1.204 175.086 176.000 0.484 0.000 0.941 325 Q CA -0.466 55.489 55.803 0.253 0.000 0.912 325 Q CB 2.404 31.218 28.738 0.127 0.000 1.244 325 Q HN 0.463 nan 8.270 nan 0.000 0.441 326 V N 2.453 122.626 119.914 0.431 0.000 2.656 326 V HA 0.524 4.647 4.120 0.005 0.000 0.307 326 V C -1.247 174.801 176.094 -0.076 0.000 1.051 326 V CA -1.001 61.436 62.300 0.230 0.000 0.893 326 V CB 1.808 33.675 31.823 0.074 0.000 0.999 326 V HN 0.602 nan 8.190 nan 0.000 0.426 327 L N 6.275 127.185 121.223 -0.522 0.000 2.313 327 L HA 0.922 5.265 4.340 0.005 0.000 0.283 327 L C -0.508 176.224 176.870 -0.230 0.000 1.013 327 L CA -0.271 54.194 54.840 -0.625 0.000 0.816 327 L CB 1.679 42.895 42.059 -1.406 0.000 1.236 327 L HN 0.673 nan 8.230 nan 0.000 0.419 328 V N 2.068 121.934 119.914 -0.081 0.000 2.888 328 V HA 1.111 5.233 4.120 0.005 0.000 0.309 328 V C -0.261 175.600 176.094 -0.388 0.000 1.114 328 V CA 0.265 62.502 62.300 -0.105 0.000 0.940 328 V CB 1.055 32.788 31.823 -0.150 0.000 1.021 328 V HN 1.095 nan 8.190 nan 0.000 0.426 329 G N 1.311 109.710 108.800 -0.669 0.000 2.619 329 G HA2 0.899 4.862 3.960 0.005 0.000 0.305 329 G HA3 0.899 4.862 3.960 0.005 0.000 0.305 329 G C -1.081 173.516 174.900 -0.505 0.000 1.330 329 G CA -0.032 44.247 45.100 -1.368 0.000 0.789 329 G HN 2.122 nan 8.290 nan 0.000 0.487 330 V N -2.557 117.191 119.914 -0.277 0.000 3.188 330 V HA 0.898 5.021 4.120 0.005 0.000 0.305 330 V C 0.023 176.278 176.094 0.268 0.000 1.232 330 V CA -0.387 61.949 62.300 0.060 0.000 1.043 330 V CB 1.110 32.948 31.823 0.025 0.000 1.068 330 V HN 1.776 nan 8.190 nan 0.000 0.439 331 V N -0.587 119.496 119.914 0.282 0.000 3.096 331 V HA 0.590 4.712 4.120 0.005 0.000 0.319 331 V C 1.326 177.583 176.094 0.272 0.000 1.082 331 V CA -0.165 62.351 62.300 0.361 0.000 1.022 331 V CB 1.270 33.298 31.823 0.342 0.000 1.103 331 V HN 1.034 nan 8.190 nan 0.000 0.455 332 K N -0.416 120.144 120.400 0.267 0.000 2.147 332 K HA -0.047 4.276 4.320 0.005 0.000 0.205 332 K C 0.221 176.929 176.600 0.180 0.000 1.049 332 K CA 1.747 58.153 56.287 0.199 0.000 0.936 332 K CB 0.074 32.672 32.500 0.164 0.000 0.722 332 K HN 0.870 nan 8.250 nan 0.000 0.446 333 D N 0.653 121.162 120.400 0.181 0.000 2.513 333 D HA 0.030 4.673 4.640 0.005 0.000 0.295 333 D C 0.081 176.478 176.300 0.162 0.000 1.202 333 D CA -0.044 54.052 54.000 0.159 0.000 0.849 333 D CB 1.327 42.202 40.800 0.124 0.000 1.116 333 D HN 0.083 nan 8.370 nan 0.000 0.502 334 E N 0.572 120.890 120.200 0.196 0.000 2.110 334 E HA -0.114 4.239 4.350 0.005 0.000 0.193 334 E C 1.973 178.731 176.600 0.263 0.000 0.988 334 E CA 0.743 57.293 56.400 0.250 0.000 0.804 334 E CB 0.174 30.033 29.700 0.265 0.000 0.745 334 E HN 0.449 nan 8.360 nan 0.000 0.458 335 G N 1.213 110.164 108.800 0.252 0.000 2.453 335 G HA2 -0.200 3.763 3.960 0.005 0.000 0.215 335 G HA3 -0.200 3.763 3.960 0.005 0.000 0.215 335 G C 1.746 176.787 174.900 0.236 0.000 1.147 335 G CA 1.006 46.306 45.100 0.334 0.000 0.802 335 G HN 0.380 nan 8.290 nan 0.000 0.535 336 S N 0.520 116.302 115.700 0.137 0.000 2.369 336 S HA -0.363 4.110 4.470 0.005 0.000 0.225 336 S C 2.115 176.705 174.600 -0.016 0.000 1.043 336 S CA 1.732 60.000 58.200 0.113 0.000 1.074 336 S CB -1.087 62.121 63.200 0.013 0.000 0.962 336 S HN 0.455 nan 8.310 nan 0.000 0.433 337 Y N 1.963 122.037 120.300 -0.376 0.000 2.096 337 Y HA -0.305 4.248 4.550 0.005 0.000 0.276 337 Y C 1.973 177.689 175.900 -0.306 0.000 1.209 337 Y CA 2.234 59.982 58.100 -0.587 0.000 1.137 337 Y CB -0.756 37.172 38.460 -0.886 0.000 0.956 337 Y HN 0.356 nan 8.280 nan 0.000 0.506 338 F N -0.870 119.193 119.950 0.188 0.000 2.325 338 F HA -0.141 4.389 4.527 0.004 0.000 0.299 338 F C 2.004 177.882 175.800 0.129 0.000 1.090 338 F CA 0.559 58.656 58.000 0.162 0.000 1.392 338 F CB -0.322 38.799 39.000 0.201 0.000 1.053 338 F HN 0.008 nan 8.300 nan 0.000 0.521 339 L N 0.024 121.357 121.223 0.185 0.000 2.131 339 L HA -0.165 4.178 4.340 0.005 0.000 0.210 339 L C 2.424 179.386 176.870 0.153 0.000 1.092 339 L CA 0.998 55.814 54.840 -0.041 0.000 0.759 339 L CB -0.997 40.703 42.059 -0.599 0.000 0.903 339 L HN 0.183 nan 8.230 nan 0.000 0.435 340 V N -4.628 115.438 119.914 0.255 0.000 3.041 340 V HA -0.152 3.971 4.120 0.005 0.000 0.260 340 V C 1.163 177.296 176.094 0.064 0.000 1.105 340 V CA 0.653 63.103 62.300 0.250 0.000 1.125 340 V CB -1.091 30.917 31.823 0.308 0.000 0.730 340 V HN 0.270 nan 8.190 nan 0.000 0.479 341 Y N 2.644 122.992 120.300 0.080 0.000 2.976 341 Y HA 0.604 5.156 4.550 0.005 0.000 0.389 341 Y C 1.535 177.454 175.900 0.031 0.000 1.072 341 Y CA 0.120 58.240 58.100 0.034 0.000 1.809 341 Y CB -0.192 38.290 38.460 0.038 0.000 1.736 341 Y HN 0.457 nan 8.280 nan 0.000 0.471 342 G N -0.175 108.697 108.800 0.121 0.000 2.226 342 G HA2 -0.177 3.786 3.960 0.005 0.000 0.176 342 G HA3 -0.177 3.786 3.960 0.005 0.000 0.176 342 G C -0.801 174.167 174.900 0.113 0.000 1.042 342 G CA -0.361 44.797 45.100 0.095 0.000 0.732 342 G HN 0.166 nan 8.290 nan 0.000 0.494 343 V N 1.385 121.387 119.914 0.146 0.000 2.328 343 V HA 0.431 4.554 4.120 0.005 0.000 0.278 343 V C -1.635 174.622 176.094 0.271 0.000 1.021 343 V CA -1.742 60.660 62.300 0.170 0.000 0.838 343 V CB 1.601 33.475 31.823 0.086 0.000 0.999 343 V HN 0.186 nan 8.190 nan 0.000 0.447 344 P HA 0.307 nan 4.420 nan 0.000 0.268 344 P C 1.017 178.407 177.300 0.150 0.000 1.204 344 P CA 1.125 64.309 63.100 0.141 0.000 0.768 344 P CB 0.864 32.613 31.700 0.082 0.000 0.842 345 G N 1.572 110.405 108.800 0.055 0.000 2.284 345 G HA2 -0.215 3.748 3.960 0.005 0.000 0.216 345 G HA3 -0.215 3.748 3.960 0.005 0.000 0.216 345 G C -0.181 174.571 174.900 -0.247 0.000 1.009 345 G CA -0.585 44.441 45.100 -0.124 0.000 0.625 345 G HN 0.406 nan 8.290 nan 0.000 0.501 346 F N 2.139 122.091 119.950 0.003 0.000 2.411 346 F HA 0.755 5.285 4.527 0.004 0.000 0.350 346 F C 0.679 176.555 175.800 0.127 0.000 1.114 346 F CA 0.116 58.132 58.000 0.026 0.000 1.135 346 F CB 2.036 41.096 39.000 0.100 0.000 1.120 346 F HN 0.147 nan 8.300 nan 0.000 0.495 347 S N 2.080 117.967 115.700 0.313 0.000 2.564 347 S HA 0.295 4.768 4.470 0.005 0.000 0.274 347 S C 0.481 175.348 174.600 0.445 0.000 1.124 347 S CA -0.900 57.500 58.200 0.334 0.000 0.869 347 S CB 1.395 64.699 63.200 0.173 0.000 1.105 347 S HN 0.768 nan 8.310 nan 0.000 0.472 348 K N 1.155 121.711 120.400 0.260 0.000 2.432 348 K HA 0.103 4.426 4.320 0.005 0.000 0.196 348 K C -0.004 176.586 176.600 -0.017 0.000 1.038 348 K CA 1.118 57.449 56.287 0.073 0.000 0.986 348 K CB -0.024 32.181 32.500 -0.492 0.000 0.782 348 K HN 0.427 nan 8.250 nan 0.000 0.485 349 D N 0.788 121.180 120.400 -0.013 0.000 2.379 349 D HA 0.019 4.662 4.640 0.005 0.000 0.208 349 D C -0.211 176.100 176.300 0.020 0.000 1.065 349 D CA 0.259 54.224 54.000 -0.058 0.000 0.848 349 D CB 0.231 40.980 40.800 -0.085 0.000 0.949 349 D HN 0.473 nan 8.370 nan 0.000 0.509 350 N N -0.975 117.774 118.700 0.081 0.000 3.102 350 N HA 0.088 4.830 4.740 0.005 0.000 0.299 350 N C 0.509 176.053 175.510 0.057 0.000 1.482 350 N CA -0.466 52.610 53.050 0.043 0.000 0.785 350 N CB 0.851 39.324 38.487 -0.023 0.000 1.680 350 N HN -0.448 nan 8.380 nan 0.000 0.594 351 E N -0.391 119.774 120.200 -0.057 0.000 2.409 351 E HA -0.020 4.333 4.350 0.005 0.000 0.198 351 E C -0.320 175.927 176.600 -0.587 0.000 1.024 351 E CA 0.563 56.863 56.400 -0.165 0.000 0.861 351 E CB -0.594 29.042 29.700 -0.106 0.000 0.788 351 E HN 0.594 nan 8.360 nan 0.000 0.521 352 S N -0.326 115.028 115.700 -0.578 0.000 3.587 352 S HA -0.198 4.275 4.470 0.005 0.000 0.337 352 S C 0.277 174.402 174.600 -0.791 0.000 1.119 352 S CA 0.166 57.859 58.200 -0.845 0.000 0.976 352 S CB -1.758 60.608 63.200 -1.389 0.000 0.922 352 S HN 0.259 nan 8.310 nan 0.000 0.503 353 L N 1.603 122.535 121.223 -0.486 0.000 2.410 353 L HA 0.436 4.779 4.340 0.005 0.000 0.273 353 L C 0.608 177.270 176.870 -0.346 0.000 1.144 353 L CA 0.101 54.730 54.840 -0.352 0.000 0.863 353 L CB 0.175 42.103 42.059 -0.218 0.000 1.140 353 L HN 0.423 nan 8.230 nan 0.000 0.463 354 I N -0.137 120.244 120.570 -0.314 0.000 2.846 354 I HA 0.668 4.841 4.170 0.005 0.000 0.307 354 I C 0.304 176.349 176.117 -0.119 0.000 1.053 354 I CA -0.674 60.476 61.300 -0.251 0.000 1.050 354 I CB 2.117 39.933 38.000 -0.307 0.000 1.239 354 I HN 0.550 nan 8.210 nan 0.000 0.439 355 S N 2.644 118.305 115.700 -0.065 0.000 2.669 355 S HA 0.383 4.856 4.470 0.005 0.000 0.270 355 S C 0.940 175.562 174.600 0.037 0.000 1.225 355 S CA -0.429 57.759 58.200 -0.020 0.000 0.991 355 S CB 1.512 64.706 63.200 -0.011 0.000 0.987 355 S HN 0.905 nan 8.310 nan 0.000 0.552 356 R N 0.406 120.932 120.500 0.043 0.000 2.120 356 R HA -0.048 4.295 4.340 0.005 0.000 0.234 356 R C 2.288 178.678 176.300 0.149 0.000 1.123 356 R CA 1.428 57.588 56.100 0.100 0.000 0.975 356 R CB -1.074 29.261 30.300 0.057 0.000 0.866 356 R HN 0.827 nan 8.270 nan 0.000 0.446 357 A N 0.782 123.656 122.820 0.090 0.000 1.883 357 A HA -0.227 4.096 4.320 0.005 0.000 0.217 357 A C 2.030 179.667 177.584 0.089 0.000 1.186 357 A CA 1.602 53.686 52.037 0.078 0.000 0.624 357 A CB -0.532 18.497 19.000 0.047 0.000 0.822 357 A HN 0.521 nan 8.150 nan 0.000 0.444 358 Q N -1.937 117.918 119.800 0.091 0.000 2.170 358 Q HA -0.127 4.216 4.340 0.005 0.000 0.203 358 Q C 1.883 177.991 176.000 0.179 0.000 0.976 358 Q CA 1.389 57.255 55.803 0.105 0.000 0.858 358 Q CB -0.279 28.496 28.738 0.062 0.000 0.907 358 Q HN 0.788 nan 8.270 nan 0.000 0.433 359 F N 1.409 121.390 119.950 0.052 0.000 2.060 359 F HA -0.214 4.315 4.527 0.004 0.000 0.295 359 F C 1.898 177.734 175.800 0.060 0.000 1.120 359 F CA 1.149 59.189 58.000 0.067 0.000 1.205 359 F CB -0.019 39.004 39.000 0.038 0.000 0.986 359 F HN -0.058 nan 8.300 nan 0.000 0.470 360 L N 0.324 121.554 121.223 0.012 0.000 2.013 360 L HA -0.277 4.066 4.340 0.005 0.000 0.212 360 L C 2.843 179.657 176.870 -0.094 0.000 1.073 360 L CA 1.254 56.043 54.840 -0.084 0.000 0.753 360 L CB -1.673 40.406 42.059 0.034 0.000 0.890 360 L HN 0.283 nan 8.230 nan 0.000 0.432 361 A N 0.821 123.628 122.820 -0.022 0.000 1.892 361 A HA -0.190 4.133 4.320 0.005 0.000 0.218 361 A C 2.442 180.011 177.584 -0.026 0.000 1.188 361 A CA 2.124 54.158 52.037 -0.005 0.000 0.631 361 A CB -1.409 17.611 19.000 0.034 0.000 0.822 361 A HN 0.471 nan 8.150 nan 0.000 0.447 362 G N -1.012 107.769 108.800 -0.032 0.000 2.422 362 G HA2 -0.046 3.917 3.960 0.005 0.000 0.218 362 G HA3 -0.046 3.917 3.960 0.005 0.000 0.218 362 G C 1.446 176.266 174.900 -0.134 0.000 1.140 362 G CA 1.113 46.193 45.100 -0.034 0.000 0.775 362 G HN 0.346 nan 8.290 nan 0.000 0.545 363 V N 0.892 120.643 119.914 -0.271 0.000 2.515 363 V HA -0.099 4.024 4.120 0.005 0.000 0.250 363 V C 2.911 178.934 176.094 -0.119 0.000 1.058 363 V CA 1.413 63.558 62.300 -0.258 0.000 1.064 363 V CB -0.342 31.255 31.823 -0.376 0.000 0.675 363 V HN 0.212 nan 8.190 nan 0.000 0.461 364 R N -0.165 120.284 120.500 -0.086 0.000 2.115 364 R HA 0.087 4.430 4.340 0.005 0.000 0.226 364 R C 2.019 178.304 176.300 -0.025 0.000 1.100 364 R CA 1.198 57.273 56.100 -0.041 0.000 0.980 364 R CB -0.720 29.565 30.300 -0.024 0.000 0.875 364 R HN 0.459 nan 8.270 nan 0.000 0.445 365 I N -0.259 120.298 120.570 -0.022 0.000 2.406 365 I HA -0.054 4.119 4.170 0.005 0.000 0.249 365 I C 2.345 178.460 176.117 -0.003 0.000 1.122 365 I CA 1.325 62.625 61.300 -0.000 0.000 1.431 365 I CB -0.438 37.573 38.000 0.019 0.000 1.087 365 I HN 0.180 nan 8.210 nan 0.000 0.424 366 G N 0.280 109.063 108.800 -0.028 0.000 2.408 366 G HA2 -0.083 3.879 3.960 0.005 0.000 0.217 366 G HA3 -0.083 3.879 3.960 0.005 0.000 0.217 366 G C 0.904 175.781 174.900 -0.038 0.000 1.150 366 G CA 0.496 45.572 45.100 -0.039 0.000 0.776 366 G HN 0.244 nan 8.290 nan 0.000 0.542 367 V N 2.252 122.141 119.914 -0.043 0.000 2.294 367 V HA 0.216 4.339 4.120 0.005 0.000 0.258 367 V C -1.419 174.665 176.094 -0.017 0.000 1.080 367 V CA -1.084 61.183 62.300 -0.055 0.000 1.128 367 V CB 1.249 33.026 31.823 -0.077 0.000 1.323 367 V HN 0.124 nan 8.190 nan 0.000 0.498 368 P HA -0.178 nan 4.420 nan 0.000 0.225 368 P C 1.235 178.535 177.300 -0.001 0.000 1.148 368 P CA 1.080 64.180 63.100 -0.001 0.000 0.779 368 P CB 0.376 32.077 31.700 0.001 0.000 0.780 369 Q N -0.455 119.349 119.800 0.007 0.000 2.360 369 Q HA 0.193 4.536 4.340 0.005 0.000 0.202 369 Q C 0.361 176.358 176.000 -0.004 0.000 0.915 369 Q CA -0.056 55.749 55.803 0.003 0.000 0.943 369 Q CB -0.188 28.559 28.738 0.015 0.000 1.064 369 Q HN 0.019 nan 8.270 nan 0.000 0.511 370 A N 2.031 124.847 122.820 -0.007 0.000 2.320 370 A HA 0.445 4.768 4.320 0.005 0.000 0.287 370 A C 0.444 178.023 177.584 -0.009 0.000 1.181 370 A CA -0.160 51.870 52.037 -0.011 0.000 0.831 370 A CB 0.391 19.387 19.000 -0.007 0.000 1.102 370 A HN 0.489 nan 8.150 nan 0.000 0.513 371 S N 2.321 118.013 115.700 -0.014 0.000 2.572 371 S HA 0.013 4.486 4.470 0.005 0.000 0.267 371 S C 0.523 175.125 174.600 0.003 0.000 1.361 371 S CA 0.212 58.407 58.200 -0.009 0.000 1.009 371 S CB 0.372 63.563 63.200 -0.016 0.000 0.888 371 S HN 0.647 nan 8.310 nan 0.000 0.553 372 D N 0.178 120.583 120.400 0.008 0.000 2.133 372 D HA -0.116 4.527 4.640 0.005 0.000 0.195 372 D C 1.693 178.012 176.300 0.032 0.000 0.997 372 D CA 1.195 55.207 54.000 0.019 0.000 0.840 372 D CB -0.398 40.414 40.800 0.019 0.000 0.947 372 D HN 0.480 nan 8.370 nan 0.000 0.452 373 L N 0.642 121.882 121.223 0.029 0.000 2.027 373 L HA -0.041 4.302 4.340 0.005 0.000 0.206 373 L C 2.149 179.057 176.870 0.064 0.000 1.074 373 L CA 1.949 56.817 54.840 0.046 0.000 0.745 373 L CB -0.843 41.237 42.059 0.034 0.000 0.898 373 L HN -0.015 nan 8.230 nan 0.000 0.433 374 A N -0.344 122.496 122.820 0.033 0.000 1.883 374 A HA -0.158 4.165 4.320 0.005 0.000 0.217 374 A C 2.469 180.099 177.584 0.077 0.000 1.186 374 A CA 2.055 54.113 52.037 0.035 0.000 0.624 374 A CB -1.314 17.666 19.000 -0.033 0.000 0.822 374 A HN 0.599 nan 8.150 nan 0.000 0.444 375 A N -0.081 122.768 122.820 0.050 0.000 1.892 375 A HA -0.246 4.077 4.320 0.005 0.000 0.218 375 A C 1.969 179.602 177.584 0.081 0.000 1.188 375 A CA 2.400 54.465 52.037 0.046 0.000 0.631 375 A CB -0.669 18.341 19.000 0.017 0.000 0.822 375 A HN 0.624 nan 8.150 nan 0.000 0.447 376 E N 0.258 120.514 120.200 0.094 0.000 2.097 376 E HA -0.151 4.202 4.350 0.005 0.000 0.196 376 E C 1.963 178.668 176.600 0.175 0.000 1.000 376 E CA 1.976 58.453 56.400 0.128 0.000 0.804 376 E CB -0.512 29.256 29.700 0.113 0.000 0.740 376 E HN 0.504 nan 8.360 nan 0.000 0.454 377 A N 0.079 123.017 122.820 0.197 0.000 1.902 377 A HA -0.153 4.170 4.320 0.005 0.000 0.217 377 A C 2.531 180.240 177.584 0.209 0.000 1.181 377 A CA 1.743 53.942 52.037 0.270 0.000 0.623 377 A CB -0.865 18.388 19.000 0.422 0.000 0.818 377 A HN 0.211 nan 8.150 nan 0.000 0.443 378 V N -0.384 119.665 119.914 0.225 0.000 2.287 378 V HA -0.265 3.858 4.120 0.005 0.000 0.248 378 V C 2.559 178.816 176.094 0.270 0.000 1.053 378 V CA 2.098 64.498 62.300 0.168 0.000 1.027 378 V CB -0.977 30.941 31.823 0.158 0.000 0.646 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.315 119.739 119.914 0.233 0.000 2.332 379 V HA -0.290 3.833 4.120 0.005 0.000 0.248 379 V C 2.359 178.666 176.094 0.355 0.000 1.055 379 V CA 2.298 64.802 62.300 0.339 0.000 1.038 379 V CB -0.575 31.400 31.823 0.254 0.000 0.651 379 V HN 0.539 nan 8.190 nan 0.000 0.450 380 L N -0.057 121.369 121.223 0.339 0.000 1.971 380 L HA -0.299 4.044 4.340 0.005 0.000 0.215 380 L C 2.537 179.600 176.870 0.321 0.000 1.072 380 L CA 2.794 57.897 54.840 0.438 0.000 0.758 380 L CB -0.758 41.466 42.059 0.275 0.000 0.889 380 L HN 0.519 nan 8.230 nan 0.000 0.433 381 H N -2.331 116.715 119.070 -0.040 0.000 2.456 381 H HA -0.195 4.363 4.556 0.003 0.000 0.296 381 H C 1.511 176.689 175.328 -0.250 0.000 1.079 381 H CA 2.220 58.094 56.048 -0.290 0.000 1.322 381 H CB -0.041 29.198 29.762 -0.872 0.000 1.388 381 H HN 0.553 nan 8.280 nan 0.000 0.538 382 Y N -0.487 119.854 120.300 0.068 0.000 2.497 382 Y HA 0.138 4.691 4.550 0.006 0.000 0.265 382 Y C 0.791 176.687 175.900 -0.007 0.000 1.111 382 Y CA 0.287 58.450 58.100 0.105 0.000 1.288 382 Y CB 0.449 39.107 38.460 0.330 0.000 1.082 382 Y HN 0.019 nan 8.280 nan 0.000 0.536 383 T N 1.275 115.803 114.554 -0.043 0.000 2.870 383 T HA 0.001 4.353 4.350 0.005 0.000 0.300 383 T C -0.408 173.976 174.700 -0.527 0.000 0.989 383 T CA -0.319 61.498 62.100 -0.472 0.000 1.139 383 T CB 0.468 68.634 68.868 -1.170 0.000 0.920 383 T HN 0.120 nan 8.240 nan 0.000 0.537 384 D N 1.936 122.062 120.400 -0.456 0.000 2.411 384 D HA 0.153 4.795 4.640 0.005 0.000 0.225 384 D C 0.024 176.111 176.300 -0.355 0.000 1.156 384 D CA -0.692 53.058 54.000 -0.417 0.000 0.874 384 D CB 0.277 40.644 40.800 -0.723 0.000 1.034 384 D HN 0.591 nan 8.370 nan 0.000 0.502 385 W N 3.128 124.382 121.300 -0.078 0.000 2.825 385 W HA 0.050 4.712 4.660 0.003 0.000 0.243 385 W C 1.585 178.047 176.519 -0.095 0.000 1.293 385 W CA -0.457 56.850 57.345 -0.063 0.000 1.403 385 W CB -0.017 29.411 29.460 -0.054 0.000 1.134 385 W HN 0.432 nan 8.180 nan 0.000 0.666 386 L N -0.319 120.922 121.223 0.031 0.000 2.131 386 L HA -0.049 4.294 4.340 0.005 0.000 0.206 386 L C 0.236 176.854 176.870 -0.420 0.000 1.087 386 L CA 1.819 56.560 54.840 -0.164 0.000 0.767 386 L CB -0.610 41.375 42.059 -0.124 0.000 0.917 386 L HN -0.014 nan 8.230 nan 0.000 0.441 387 H N -1.536 117.464 119.070 -0.116 0.000 2.511 387 H HA 0.291 4.849 4.556 0.004 0.000 0.228 387 H C -1.930 173.300 175.328 -0.164 0.000 1.424 387 H CA -1.707 54.270 56.048 -0.118 0.000 1.321 387 H CB -0.052 29.636 29.762 -0.124 0.000 1.720 387 H HN 0.045 nan 8.280 nan 0.000 0.512 388 P HA -0.136 nan 4.420 nan 0.000 0.231 388 P C 0.484 177.707 177.300 -0.130 0.000 1.158 388 P CA 1.108 64.086 63.100 -0.204 0.000 0.763 388 P CB 0.709 32.320 31.700 -0.149 0.000 0.805 389 E N -0.719 119.451 120.200 -0.050 0.000 2.583 389 E HA 0.061 4.414 4.350 0.005 0.000 0.213 389 E C -0.094 176.490 176.600 -0.027 0.000 0.989 389 E CA -0.099 56.281 56.400 -0.034 0.000 0.991 389 E CB 0.150 29.846 29.700 -0.008 0.000 1.040 389 E HN 0.163 nan 8.360 nan 0.000 0.481 390 D N 1.803 122.193 120.400 -0.017 0.000 2.339 390 D HA 0.073 4.716 4.640 0.005 0.000 0.256 390 D C -1.701 174.573 176.300 -0.043 0.000 1.214 390 D CA -2.274 51.718 54.000 -0.014 0.000 0.877 390 D CB 1.664 42.462 40.800 -0.004 0.000 1.111 390 D HN -0.177 nan 8.370 nan 0.000 0.478 391 P HA -0.154 nan 4.420 nan 0.000 0.216 391 P C 1.232 178.466 177.300 -0.110 0.000 1.157 391 P CA 1.530 64.571 63.100 -0.098 0.000 0.880 391 P CB 0.227 31.867 31.700 -0.101 0.000 0.791 392 T N -2.155 112.353 114.554 -0.078 0.000 2.708 392 T HA -0.208 4.145 4.350 0.005 0.000 0.266 392 T C 1.723 176.396 174.700 -0.045 0.000 1.037 392 T CA 1.788 63.851 62.100 -0.062 0.000 1.146 392 T CB -1.049 67.799 68.868 -0.034 0.000 0.865 392 T HN 0.273 nan 8.240 nan 0.000 0.435 393 H N 0.985 119.987 119.070 -0.112 0.000 2.321 393 H HA 0.066 4.624 4.556 0.004 0.000 0.300 393 H C 2.034 177.270 175.328 -0.153 0.000 1.087 393 H CA 1.363 57.339 56.048 -0.120 0.000 1.319 393 H CB -0.538 29.134 29.762 -0.151 0.000 1.379 393 H HN 0.227 nan 8.280 nan 0.000 0.501 394 L N 0.192 121.261 121.223 -0.256 0.000 2.012 394 L HA -0.212 4.131 4.340 0.005 0.000 0.210 394 L C 2.898 179.647 176.870 -0.203 0.000 1.073 394 L CA 1.657 56.239 54.840 -0.431 0.000 0.748 394 L CB -0.585 41.278 42.059 -0.326 0.000 0.891 394 L HN 0.296 nan 8.230 nan 0.000 0.431 395 R N 0.615 121.061 120.500 -0.090 0.000 2.094 395 R HA -0.225 4.118 4.340 0.005 0.000 0.239 395 R C 1.745 178.134 176.300 0.149 0.000 1.137 395 R CA 2.479 58.622 56.100 0.070 0.000 0.943 395 R CB -0.574 29.639 30.300 -0.145 0.000 0.850 395 R HN 0.366 nan 8.270 nan 0.000 0.433 396 D N 0.278 120.673 120.400 -0.008 0.000 2.144 396 D HA -0.081 4.562 4.640 0.005 0.000 0.200 396 D C 1.814 178.106 176.300 -0.015 0.000 0.978 396 D CA 1.458 55.471 54.000 0.021 0.000 0.833 396 D CB -0.355 40.432 40.800 -0.021 0.000 0.961 396 D HN 0.395 nan 8.370 nan 0.000 0.470 397 A N 0.763 123.455 122.820 -0.213 0.000 1.908 397 A HA -0.220 4.103 4.320 0.005 0.000 0.218 397 A C 2.168 179.859 177.584 0.179 0.000 1.181 397 A CA 1.911 53.910 52.037 -0.063 0.000 0.627 397 A CB -0.541 18.239 19.000 -0.366 0.000 0.818 397 A HN 0.175 nan 8.150 nan 0.000 0.445 398 M N -0.266 119.522 119.600 0.313 0.000 2.086 398 M HA -0.081 4.401 4.480 0.005 0.000 0.261 398 M C 2.327 178.671 176.300 0.074 0.000 1.067 398 M CA 2.129 57.611 55.300 0.303 0.000 1.116 398 M CB -0.606 32.229 32.600 0.391 0.000 1.348 398 M HN 0.410 nan 8.290 nan 0.000 0.407 399 S N -0.149 115.612 115.700 0.102 0.000 2.359 399 S HA -0.206 4.267 4.470 0.005 0.000 0.223 399 S C 2.084 176.752 174.600 0.114 0.000 1.039 399 S CA 2.014 60.286 58.200 0.120 0.000 1.042 399 S CB -0.796 62.537 63.200 0.222 0.000 0.915 399 S HN 0.654 nan 8.310 nan 0.000 0.439 400 A N 0.794 123.695 122.820 0.135 0.000 1.892 400 A HA -0.068 4.255 4.320 0.005 0.000 0.218 400 A C 2.395 180.021 177.584 0.070 0.000 1.188 400 A CA 2.080 54.229 52.037 0.187 0.000 0.631 400 A CB -1.256 17.955 19.000 0.351 0.000 0.822 400 A HN 0.489 nan 8.150 nan 0.000 0.447 401 V N -0.533 119.267 119.914 -0.191 0.000 2.233 401 V HA -0.264 3.859 4.120 0.005 0.000 0.247 401 V C 2.586 178.602 176.094 -0.129 0.000 1.050 401 V CA 2.162 64.286 62.300 -0.294 0.000 1.010 401 V CB -0.922 30.715 31.823 -0.310 0.000 0.637 401 V HN 0.383 nan 8.190 nan 0.000 0.444 402 V N 0.732 120.592 119.914 -0.089 0.000 2.295 402 V HA -0.197 3.925 4.120 0.005 0.000 0.246 402 V C 2.627 178.640 176.094 -0.136 0.000 1.049 402 V CA 2.282 64.513 62.300 -0.116 0.000 1.024 402 V CB -1.468 30.357 31.823 0.004 0.000 0.648 402 V HN 0.630 nan 8.190 nan 0.000 0.447 403 G N -0.411 108.401 108.800 0.019 0.000 2.459 403 G HA2 -0.274 3.689 3.960 0.005 0.000 0.217 403 G HA3 -0.274 3.689 3.960 0.005 0.000 0.217 403 G C 1.262 176.142 174.900 -0.034 0.000 1.183 403 G CA 1.139 46.277 45.100 0.064 0.000 0.776 403 G HN 0.495 nan 8.290 nan 0.000 0.552 404 D N -0.422 119.959 120.400 -0.031 0.000 2.097 404 D HA -0.089 4.554 4.640 0.005 0.000 0.195 404 D C 2.102 178.136 176.300 -0.443 0.000 0.989 404 D CA 1.315 55.265 54.000 -0.082 0.000 0.827 404 D CB -0.408 40.510 40.800 0.197 0.000 0.966 404 D HN 0.414 nan 8.370 nan 0.000 0.456 405 H N 1.004 119.542 119.070 -0.886 0.000 2.299 405 H HA 0.023 4.582 4.556 0.004 0.000 0.302 405 H C 1.586 176.553 175.328 -0.602 0.000 1.078 405 H CA 1.790 57.105 56.048 -1.221 0.000 1.323 405 H CB -0.140 28.827 29.762 -1.324 0.000 1.381 405 H HN -0.008 nan 8.280 nan 0.000 0.498 406 N N -0.545 117.775 118.700 -0.633 0.000 2.354 406 N HA -0.054 4.689 4.740 0.005 0.000 0.179 406 N C 1.440 176.933 175.510 -0.029 0.000 1.021 406 N CA 1.303 54.067 53.050 -0.477 0.000 0.887 406 N CB 0.678 38.555 38.487 -1.016 0.000 0.974 406 N HN 0.292 nan 8.380 nan 0.000 0.437 407 V N -0.630 119.250 119.914 -0.057 0.000 3.102 407 V HA 0.048 4.171 4.120 0.005 0.000 0.225 407 V C 2.155 178.263 176.094 0.024 0.000 1.301 407 V CA 0.231 62.584 62.300 0.089 0.000 1.308 407 V CB 0.057 31.987 31.823 0.178 0.000 1.129 407 V HN -0.146 nan 8.190 nan 0.000 0.502 408 V N -0.105 119.809 119.914 0.000 0.000 2.270 408 V HA -0.252 3.870 4.120 0.005 0.000 0.245 408 V C 2.493 178.575 176.094 -0.021 0.000 1.043 408 V CA 2.472 64.773 62.300 0.001 0.000 1.014 408 V CB -0.767 31.081 31.823 0.041 0.000 0.645 408 V HN 0.638 nan 8.190 nan 0.000 0.447 409 c N -0.229 118.352 118.600 -0.032 0.000 2.457 409 c HA 0.006 4.579 4.570 0.005 0.000 0.278 409 c C 0.586 174.662 174.090 -0.024 0.000 1.309 409 c CA 0.854 57.189 56.329 0.009 0.000 1.735 409 c CB -1.816 40.738 42.510 0.073 0.000 1.992 409 c HN 0.455 nan 8.230 nan 0.000 0.493 410 P HA -0.098 nan 4.420 nan 0.000 0.214 410 P C 1.803 179.058 177.300 -0.075 0.000 1.163 410 P CA 1.458 64.506 63.100 -0.086 0.000 0.889 410 P CB -0.187 31.438 31.700 -0.125 0.000 0.790 411 V N 0.086 119.960 119.914 -0.068 0.000 2.332 411 V HA -0.304 3.819 4.120 0.005 0.000 0.248 411 V C 2.460 178.470 176.094 -0.140 0.000 1.055 411 V CA 2.345 64.585 62.300 -0.099 0.000 1.038 411 V CB -1.744 30.021 31.823 -0.097 0.000 0.651 411 V HN 0.111 nan 8.190 nan 0.000 0.450 412 A N -0.350 122.404 122.820 -0.110 0.000 1.883 412 A HA -0.354 3.968 4.320 0.005 0.000 0.217 412 A C 2.222 179.773 177.584 -0.056 0.000 1.186 412 A CA 2.442 54.418 52.037 -0.102 0.000 0.624 412 A CB -0.634 18.359 19.000 -0.012 0.000 0.822 412 A HN 0.630 nan 8.150 nan 0.000 0.444 413 Q N -0.732 119.055 119.800 -0.020 0.000 2.061 413 Q HA -0.176 4.167 4.340 0.005 0.000 0.204 413 Q C 1.902 177.884 176.000 -0.029 0.000 0.984 413 Q CA 1.983 57.786 55.803 0.001 0.000 0.846 413 Q CB -0.439 28.300 28.738 0.002 0.000 0.902 413 Q HN 0.508 nan 8.270 nan 0.000 0.421 414 L N 0.396 121.575 121.223 -0.074 0.000 1.989 414 L HA -0.099 4.244 4.340 0.005 0.000 0.211 414 L C 2.295 179.100 176.870 -0.109 0.000 1.071 414 L CA 2.325 57.107 54.840 -0.097 0.000 0.749 414 L CB -1.105 40.883 42.059 -0.118 0.000 0.890 414 L HN 0.340 nan 8.230 nan 0.000 0.431 415 A N -0.457 122.260 122.820 -0.171 0.000 1.892 415 A HA -0.160 4.163 4.320 0.005 0.000 0.218 415 A C 2.321 179.896 177.584 -0.016 0.000 1.188 415 A CA 1.947 53.835 52.037 -0.248 0.000 0.631 415 A CB -1.755 16.832 19.000 -0.687 0.000 0.822 415 A HN 0.571 nan 8.150 nan 0.000 0.447 416 G N -0.344 108.502 108.800 0.076 0.000 2.679 416 G HA2 -0.295 3.668 3.960 0.005 0.000 0.217 416 G HA3 -0.295 3.668 3.960 0.005 0.000 0.217 416 G C 1.591 176.572 174.900 0.135 0.000 1.267 416 G CA 1.005 46.234 45.100 0.216 0.000 0.799 416 G HN 0.444 nan 8.290 nan 0.000 0.606 417 R N 0.269 120.815 120.500 0.077 0.000 2.127 417 R HA 0.018 4.361 4.340 0.005 0.000 0.238 417 R C 2.651 179.005 176.300 0.091 0.000 1.134 417 R CA 0.680 56.828 56.100 0.080 0.000 0.975 417 R CB -1.011 29.327 30.300 0.063 0.000 0.865 417 R HN 0.437 nan 8.270 nan 0.000 0.447 418 L N -0.119 121.118 121.223 0.024 0.000 2.023 418 L HA -0.057 4.286 4.340 0.005 0.000 0.205 418 L C 2.654 179.578 176.870 0.089 0.000 1.073 418 L CA 1.263 56.095 54.840 -0.013 0.000 0.745 418 L CB -0.787 41.176 42.059 -0.159 0.000 0.900 418 L HN 0.133 nan 8.230 nan 0.000 0.435 419 A N 0.318 123.202 122.820 0.107 0.000 1.908 419 A HA -0.233 4.090 4.320 0.005 0.000 0.218 419 A C 2.522 180.167 177.584 0.102 0.000 1.181 419 A CA 1.929 54.039 52.037 0.121 0.000 0.627 419 A CB -0.763 18.349 19.000 0.187 0.000 0.818 419 A HN 0.431 nan 8.150 nan 0.000 0.445 420 A N -1.110 121.775 122.820 0.109 0.000 1.940 420 A HA -0.194 4.129 4.320 0.005 0.000 0.219 420 A C 1.876 179.521 177.584 0.103 0.000 1.176 420 A CA 1.752 53.845 52.037 0.092 0.000 0.631 420 A CB -0.372 18.684 19.000 0.092 0.000 0.814 420 A HN 0.616 nan 8.150 nan 0.000 0.446 421 Q N -1.422 118.469 119.800 0.152 0.000 2.237 421 Q HA 0.398 4.741 4.340 0.005 0.000 0.252 421 Q C 0.513 176.622 176.000 0.181 0.000 0.877 421 Q CA 0.382 56.291 55.803 0.176 0.000 1.011 421 Q CB 0.225 29.117 28.738 0.256 0.000 1.118 421 Q HN 0.831 nan 8.270 nan 0.000 0.458 422 G N -0.091 108.788 108.800 0.132 0.000 2.204 422 G HA2 -0.186 3.777 3.960 0.005 0.000 0.244 422 G HA3 -0.186 3.777 3.960 0.005 0.000 0.244 422 G C -0.124 174.848 174.900 0.121 0.000 1.062 422 G CA 0.037 45.198 45.100 0.102 0.000 0.798 422 G HN 0.500 nan 8.290 nan 0.000 0.496 423 A N -0.559 122.338 122.820 0.128 0.000 2.337 423 A HA 0.893 5.216 4.320 0.005 0.000 0.331 423 A C 0.434 178.060 177.584 0.070 0.000 1.137 423 A CA -0.568 51.538 52.037 0.115 0.000 0.807 423 A CB 0.909 19.975 19.000 0.109 0.000 1.250 423 A HN 0.658 nan 8.150 nan 0.000 0.468 424 R N 1.318 121.862 120.500 0.072 0.000 2.272 424 R HA 0.449 4.792 4.340 0.005 0.000 0.334 424 R C -1.238 175.080 176.300 0.030 0.000 1.117 424 R CA 0.087 56.203 56.100 0.026 0.000 0.966 424 R CB -0.016 30.335 30.300 0.086 0.000 1.049 424 R HN 0.458 nan 8.270 nan 0.000 0.477 425 V N 5.691 125.569 119.914 -0.059 0.000 2.483 425 V HA 0.334 4.457 4.120 0.005 0.000 0.295 425 V C -0.793 175.200 176.094 -0.169 0.000 1.035 425 V CA -0.610 61.677 62.300 -0.021 0.000 0.896 425 V CB 1.347 33.198 31.823 0.047 0.000 0.986 425 V HN 0.598 nan 8.190 nan 0.000 0.447 426 Y N 2.464 122.743 120.300 -0.036 0.000 2.350 426 Y HA 0.745 5.297 4.550 0.004 0.000 0.338 426 Y C 0.323 176.297 175.900 0.122 0.000 0.961 426 Y CA -0.460 57.602 58.100 -0.063 0.000 1.100 426 Y CB 2.082 40.189 38.460 -0.588 0.000 1.179 426 Y HN 0.729 nan 8.280 nan 0.000 0.454 427 A N 3.570 126.746 122.820 0.593 0.000 2.374 427 A HA 0.884 5.206 4.320 0.005 0.000 0.317 427 A C -1.742 176.248 177.584 0.678 0.000 1.094 427 A CA -0.640 51.643 52.037 0.410 0.000 0.765 427 A CB 1.026 20.091 19.000 0.108 0.000 1.268 427 A HN 0.760 nan 8.150 nan 0.000 0.438 428 Y N -0.785 119.753 120.300 0.396 0.000 2.655 428 Y HA 0.796 5.347 4.550 0.002 0.000 0.336 428 Y C -1.230 174.828 175.900 0.263 0.000 1.154 428 Y CA -1.563 56.722 58.100 0.307 0.000 1.055 428 Y CB 1.306 39.932 38.460 0.277 0.000 1.295 428 Y HN 0.710 nan 8.280 nan 0.000 0.465 429 I N 2.639 123.520 120.570 0.517 0.000 2.499 429 I HA 0.470 4.643 4.170 0.005 0.000 0.288 429 I C -1.916 174.531 176.117 0.550 0.000 1.048 429 I CA -1.043 60.512 61.300 0.424 0.000 1.062 429 I CB 1.329 39.508 38.000 0.298 0.000 1.238 429 I HN 0.730 nan 8.210 nan 0.000 0.426 430 F N 7.237 127.453 119.950 0.444 0.000 2.405 430 F HA 0.411 4.941 4.527 0.006 0.000 0.355 430 F C 0.494 176.437 175.800 0.237 0.000 1.121 430 F CA 0.081 58.291 58.000 0.350 0.000 1.112 430 F CB 1.014 40.234 39.000 0.367 0.000 1.126 430 F HN 0.549 nan 8.300 nan 0.000 0.481 431 E N 2.869 122.919 120.200 -0.250 0.000 2.583 431 E HA -0.014 4.339 4.350 0.005 0.000 0.213 431 E C -0.784 175.680 176.600 -0.228 0.000 0.989 431 E CA -0.163 56.164 56.400 -0.120 0.000 0.991 431 E CB 0.220 29.892 29.700 -0.047 0.000 1.040 431 E HN 0.510 nan 8.360 nan 0.000 0.481 432 H N 1.504 120.157 119.070 -0.696 0.000 2.668 432 H HA 0.217 4.775 4.556 0.004 0.000 0.303 432 H C -0.388 174.879 175.328 -0.102 0.000 1.074 432 H CA -0.365 55.373 56.048 -0.516 0.000 1.406 432 H CB 0.438 29.666 29.762 -0.890 0.000 1.442 432 H HN -0.142 nan 8.280 nan 0.000 0.482 433 R N 3.804 123.945 120.500 -0.599 0.000 2.298 433 R HA 0.432 4.775 4.340 0.005 0.000 0.310 433 R C -0.464 175.521 176.300 -0.526 0.000 1.068 433 R CA -0.511 55.378 56.100 -0.352 0.000 0.957 433 R CB 0.353 30.534 30.300 -0.198 0.000 1.003 433 R HN 0.826 nan 8.270 nan 0.000 0.454 434 A N 2.949 125.786 122.820 0.028 0.000 2.546 434 A HA -0.013 4.310 4.320 0.005 0.000 0.243 434 A C 1.404 179.032 177.584 0.073 0.000 1.063 434 A CA 0.562 52.784 52.037 0.308 0.000 0.757 434 A CB 0.315 19.581 19.000 0.444 0.000 0.991 434 A HN 1.019 nan 8.150 nan 0.000 0.503 435 S N 1.729 117.502 115.700 0.123 0.000 2.399 435 S HA -0.187 4.286 4.470 0.005 0.000 0.231 435 S C 1.484 176.038 174.600 -0.076 0.000 1.022 435 S CA 1.827 60.039 58.200 0.020 0.000 0.983 435 S CB -0.954 62.282 63.200 0.060 0.000 0.803 435 S HN 1.299 nan 8.310 nan 0.000 0.480 436 T N -0.787 113.669 114.554 -0.163 0.000 3.148 436 T HA 0.306 4.659 4.350 0.005 0.000 0.253 436 T C 0.451 175.054 174.700 -0.163 0.000 1.134 436 T CA -0.428 61.524 62.100 -0.246 0.000 1.051 436 T CB -0.621 67.949 68.868 -0.497 0.000 0.959 436 T HN 0.252 nan 8.240 nan 0.000 0.525 437 L N 4.015 125.182 121.223 -0.093 0.000 2.559 437 L HA 0.186 4.529 4.340 0.005 0.000 0.274 437 L C 1.628 178.423 176.870 -0.125 0.000 1.205 437 L CA 0.762 55.540 54.840 -0.103 0.000 0.907 437 L CB 0.687 42.701 42.059 -0.075 0.000 1.153 437 L HN 0.433 nan 8.230 nan 0.000 0.490 438 T N -0.326 114.100 114.554 -0.212 0.000 3.081 438 T HA 0.089 4.442 4.350 0.005 0.000 0.250 438 T C 0.320 174.968 174.700 -0.087 0.000 1.100 438 T CA -0.418 61.554 62.100 -0.213 0.000 1.038 438 T CB -0.299 68.311 68.868 -0.429 0.000 0.962 438 T HN 0.406 nan 8.240 nan 0.000 0.516 439 W N 3.148 124.418 121.300 -0.049 0.000 2.237 439 W HA 0.443 5.106 4.660 0.006 0.000 0.335 439 W C -2.118 174.306 176.519 -0.157 0.000 1.230 439 W CA -2.473 54.849 57.345 -0.038 0.000 1.253 439 W CB 0.262 29.620 29.460 -0.169 0.000 1.129 439 W HN -0.067 nan 8.180 nan 0.000 0.590 440 P HA -0.025 nan 4.420 nan 0.000 0.269 440 P C 0.747 177.965 177.300 -0.136 0.000 1.209 440 P CA 0.119 63.179 63.100 -0.066 0.000 0.776 440 P CB 0.848 32.509 31.700 -0.066 0.000 0.876 441 L N 1.325 122.544 121.223 -0.007 0.000 2.064 441 L HA -0.203 4.140 4.340 0.005 0.000 0.216 441 L C 2.485 179.387 176.870 0.053 0.000 1.077 441 L CA 1.891 56.748 54.840 0.027 0.000 0.766 441 L CB -0.826 41.280 42.059 0.079 0.000 0.890 441 L HN 0.634 nan 8.230 nan 0.000 0.435 442 W N -1.251 120.090 121.300 0.068 0.000 2.525 442 W HA -0.138 4.524 4.660 0.004 0.000 0.259 442 W C 1.782 178.355 176.519 0.091 0.000 1.253 442 W CA 0.494 57.884 57.345 0.074 0.000 1.262 442 W CB -0.785 28.721 29.460 0.077 0.000 1.122 442 W HN 0.198 nan 8.180 nan 0.000 0.607 443 M N 1.257 120.522 119.600 -0.558 0.000 2.562 443 M HA 0.111 4.594 4.480 0.005 0.000 0.257 443 M C 1.782 177.983 176.300 -0.165 0.000 1.099 443 M CA 1.572 56.518 55.300 -0.590 0.000 1.099 443 M CB -0.637 31.467 32.600 -0.827 0.000 1.427 443 M HN 0.207 nan 8.290 nan 0.000 0.489 444 G N 0.635 109.395 108.800 -0.067 0.000 2.561 444 G HA2 -0.284 3.679 3.960 0.005 0.000 0.289 444 G HA3 -0.284 3.679 3.960 0.005 0.000 0.289 444 G C -0.166 174.739 174.900 0.008 0.000 1.169 444 G CA -0.205 44.901 45.100 0.011 0.000 0.980 444 G HN 0.222 nan 8.290 nan 0.000 0.550 445 V N 3.842 123.798 119.914 0.070 0.000 2.259 445 V HA 0.475 4.598 4.120 0.005 0.000 0.267 445 V C -1.795 174.401 176.094 0.170 0.000 1.051 445 V CA -0.705 61.682 62.300 0.144 0.000 0.830 445 V CB 1.055 33.008 31.823 0.217 0.000 1.080 445 V HN 0.552 nan 8.190 nan 0.000 0.467 446 P HA 0.214 nan 4.420 nan 0.000 0.278 446 P C -0.280 177.138 177.300 0.197 0.000 1.258 446 P CA -0.590 62.579 63.100 0.114 0.000 0.811 446 P CB 0.431 32.118 31.700 -0.022 0.000 1.063 447 H N 0.286 119.305 119.070 -0.086 0.000 3.125 447 H HA 0.242 4.801 4.556 0.004 0.000 0.310 447 H C 1.535 176.643 175.328 -0.367 0.000 0.980 447 H CA 2.281 58.197 56.048 -0.221 0.000 1.422 447 H CB -0.615 28.901 29.762 -0.410 0.000 1.432 447 H HN 0.765 nan 8.280 nan 0.000 0.577 448 G N 3.385 111.794 108.800 -0.651 0.000 2.241 448 G HA2 -0.328 3.635 3.960 0.005 0.000 0.244 448 G HA3 -0.328 3.635 3.960 0.005 0.000 0.244 448 G C 0.516 175.209 174.900 -0.345 0.000 0.998 448 G CA 0.405 45.143 45.100 -0.602 0.000 0.621 448 G HN 0.657 nan 8.290 nan 0.000 0.519 449 Y N 1.557 121.890 120.300 0.056 0.000 2.537 449 Y HA 0.301 4.853 4.550 0.004 0.000 0.303 449 Y C 2.174 178.148 175.900 0.123 0.000 1.176 449 Y CA 0.776 58.987 58.100 0.186 0.000 1.273 449 Y CB 0.451 39.063 38.460 0.253 0.000 1.110 449 Y HN 0.496 nan 8.280 nan 0.000 0.518 450 E N -0.065 120.038 120.200 -0.162 0.000 2.340 450 E HA -0.028 4.325 4.350 0.005 0.000 0.198 450 E C 1.597 178.065 176.600 -0.220 0.000 0.961 450 E CA 0.523 56.495 56.400 -0.714 0.000 0.905 450 E CB -0.392 28.454 29.700 -1.423 0.000 0.884 450 E HN 0.539 nan 8.360 nan 0.000 0.491 451 I N 2.907 123.429 120.570 -0.081 0.000 2.151 451 I HA -0.325 3.848 4.170 0.005 0.000 0.243 451 I C 2.642 178.749 176.117 -0.015 0.000 1.080 451 I CA 2.294 63.597 61.300 0.005 0.000 1.339 451 I CB -0.531 37.524 38.000 0.091 0.000 1.039 451 I HN 0.241 nan 8.210 nan 0.000 0.409 452 E N 0.861 121.011 120.200 -0.083 0.000 2.265 452 E HA -0.214 4.139 4.350 0.005 0.000 0.196 452 E C 1.952 178.296 176.600 -0.427 0.000 0.996 452 E CA 1.316 57.561 56.400 -0.259 0.000 0.832 452 E CB -0.425 29.110 29.700 -0.275 0.000 0.756 452 E HN 0.459 nan 8.360 nan 0.000 0.491 453 F N 1.339 121.195 119.950 -0.156 0.000 2.179 453 F HA 0.001 4.532 4.527 0.008 0.000 0.292 453 F C 2.318 177.914 175.800 -0.340 0.000 1.089 453 F CA 0.419 58.284 58.000 -0.225 0.000 1.295 453 F CB -0.143 38.818 39.000 -0.067 0.000 1.041 453 F HN -0.053 nan 8.300 nan 0.000 0.487 454 I N -0.626 119.799 120.570 -0.242 0.000 2.248 454 I HA -0.306 3.867 4.170 0.005 0.000 0.248 454 I C 1.976 177.874 176.117 -0.365 0.000 1.107 454 I CA 1.791 62.792 61.300 -0.498 0.000 1.373 454 I CB -1.455 36.124 38.000 -0.702 0.000 1.055 454 I HN 0.105 nan 8.210 nan 0.000 0.418 455 F N 0.816 120.589 119.950 -0.294 0.000 2.797 455 F HA 0.249 4.779 4.527 0.005 0.000 0.302 455 F C 1.885 177.568 175.800 -0.195 0.000 1.130 455 F CA 0.709 58.581 58.000 -0.214 0.000 1.387 455 F CB -0.213 38.639 39.000 -0.247 0.000 1.107 455 F HN 0.279 nan 8.300 nan 0.000 0.577 456 G N 0.299 108.959 108.800 -0.233 0.000 2.160 456 G HA2 -0.286 3.677 3.960 0.005 0.000 0.251 456 G HA3 -0.286 3.677 3.960 0.005 0.000 0.251 456 G C 1.229 175.505 174.900 -1.041 0.000 1.008 456 G CA 0.396 45.218 45.100 -0.462 0.000 0.724 456 G HN 0.347 nan 8.290 nan 0.000 0.514 457 L N -0.181 120.495 121.223 -0.911 0.000 2.043 457 L HA -0.126 4.217 4.340 0.005 0.000 0.212 457 L C 0.525 176.756 176.870 -1.064 0.000 1.075 457 L CA 2.654 56.879 54.840 -1.026 0.000 0.752 457 L CB -1.681 40.011 42.059 -0.611 0.000 0.891 457 L HN 0.218 nan 8.230 nan 0.000 0.432 458 P HA -0.205 nan 4.420 nan 0.000 0.218 458 P C 1.894 178.908 177.300 -0.476 0.000 1.146 458 P CA 1.350 63.820 63.100 -1.051 0.000 0.820 458 P CB -0.040 31.166 31.700 -0.824 0.000 0.778 459 L N -1.512 119.384 121.223 -0.545 0.000 2.191 459 L HA -0.101 4.242 4.340 0.005 0.000 0.212 459 L C 1.199 177.959 176.870 -0.184 0.000 1.103 459 L CA 0.752 55.399 54.840 -0.322 0.000 0.769 459 L CB -0.950 40.925 42.059 -0.305 0.000 0.908 459 L HN -0.000 nan 8.230 nan 0.000 0.438 460 D N 0.770 121.026 120.400 -0.239 0.000 2.344 460 D HA 0.063 4.706 4.640 0.005 0.000 0.253 460 D C -1.641 174.660 176.300 0.002 0.000 1.255 460 D CA -1.793 52.198 54.000 -0.015 0.000 0.894 460 D CB 1.507 42.344 40.800 0.062 0.000 1.067 460 D HN -0.020 nan 8.370 nan 0.000 0.492 461 P HA -0.090 nan 4.420 nan 0.000 0.225 461 P C 1.345 178.660 177.300 0.024 0.000 1.156 461 P CA 0.553 63.667 63.100 0.023 0.000 0.787 461 P CB 0.104 31.814 31.700 0.017 0.000 0.802 462 S N -0.443 115.269 115.700 0.021 0.000 2.469 462 S HA -0.090 4.383 4.470 0.005 0.000 0.238 462 S C 1.702 176.304 174.600 0.003 0.000 0.998 462 S CA 0.834 59.039 58.200 0.008 0.000 0.957 462 S CB -1.449 61.756 63.200 0.007 0.000 0.764 462 S HN 0.107 nan 8.310 nan 0.000 0.514 463 L N 0.536 121.779 121.223 0.034 0.000 2.492 463 L HA 0.174 4.517 4.340 0.005 0.000 0.223 463 L C 0.361 177.200 176.870 -0.052 0.000 1.132 463 L CA 0.110 54.972 54.840 0.036 0.000 0.850 463 L CB -0.675 41.488 42.059 0.174 0.000 0.966 463 L HN 0.264 nan 8.230 nan 0.000 0.454 464 N N -1.706 116.986 118.700 -0.013 0.000 2.818 464 N HA -0.208 4.535 4.740 0.005 0.000 0.250 464 N C -0.559 174.891 175.510 -0.100 0.000 1.108 464 N CA 0.719 53.728 53.050 -0.068 0.000 0.745 464 N CB -1.837 36.580 38.487 -0.118 0.000 1.104 464 N HN 0.286 nan 8.380 nan 0.000 0.557 465 Y N 0.877 121.156 120.300 -0.034 0.000 2.326 465 Y HA 0.210 4.762 4.550 0.004 0.000 0.333 465 Y C 1.879 177.798 175.900 0.030 0.000 1.240 465 Y CA 0.104 58.209 58.100 0.008 0.000 1.365 465 Y CB 0.581 39.029 38.460 -0.020 0.000 1.289 465 Y HN 0.089 nan 8.280 nan 0.000 0.548 466 T N -2.051 112.632 114.554 0.216 0.000 2.856 466 T HA 0.006 4.359 4.350 0.005 0.000 0.306 466 T C 1.165 175.946 174.700 0.136 0.000 1.062 466 T CA -0.277 61.907 62.100 0.140 0.000 1.083 466 T CB 0.885 69.827 68.868 0.125 0.000 0.984 466 T HN 0.773 nan 8.240 nan 0.000 0.542 467 T N 2.060 116.663 114.554 0.082 0.000 2.737 467 T HA -0.124 4.229 4.350 0.005 0.000 0.269 467 T C 1.738 176.477 174.700 0.065 0.000 1.040 467 T CA 2.038 64.174 62.100 0.060 0.000 1.142 467 T CB -0.414 68.476 68.868 0.037 0.000 0.861 467 T HN 0.788 nan 8.240 nan 0.000 0.456 468 E N 1.138 121.374 120.200 0.060 0.000 2.077 468 E HA -0.085 4.268 4.350 0.005 0.000 0.193 468 E C 2.252 178.898 176.600 0.077 0.000 0.989 468 E CA 0.980 57.401 56.400 0.035 0.000 0.800 468 E CB -0.208 29.487 29.700 -0.009 0.000 0.746 468 E HN 0.577 nan 8.360 nan 0.000 0.452 469 E N 0.390 120.682 120.200 0.154 0.000 2.051 469 E HA -0.166 4.187 4.350 0.005 0.000 0.192 469 E C 2.147 178.914 176.600 0.279 0.000 0.991 469 E CA 0.582 57.184 56.400 0.336 0.000 0.799 469 E CB -0.066 29.963 29.700 0.548 0.000 0.748 469 E HN 0.037 nan 8.360 nan 0.000 0.449 470 R N 0.937 121.518 120.500 0.134 0.000 2.119 470 R HA -0.201 4.142 4.340 0.005 0.000 0.246 470 R C 2.122 178.438 176.300 0.026 0.000 1.146 470 R CA 1.371 57.483 56.100 0.020 0.000 0.962 470 R CB -0.392 29.914 30.300 0.010 0.000 0.863 470 R HN 0.230 nan 8.270 nan 0.000 0.442 471 I N -0.304 120.307 120.570 0.068 0.000 2.333 471 I HA -0.231 3.942 4.170 0.005 0.000 0.246 471 I C 2.189 178.360 176.117 0.091 0.000 1.106 471 I CA 0.661 61.994 61.300 0.054 0.000 1.411 471 I CB -0.342 37.687 38.000 0.048 0.000 1.082 471 I HN 0.069 nan 8.210 nan 0.000 0.420 472 F N 1.955 121.887 119.950 -0.029 0.000 2.126 472 F HA -0.257 4.272 4.527 0.003 0.000 0.299 472 F C 2.405 178.225 175.800 0.034 0.000 1.096 472 F CA 1.358 59.339 58.000 -0.032 0.000 1.255 472 F CB -0.572 38.359 39.000 -0.116 0.000 0.997 472 F HN 0.028 nan 8.300 nan 0.000 0.479 473 A N 0.010 122.823 122.820 -0.011 0.000 1.902 473 A HA -0.229 4.094 4.320 0.005 0.000 0.217 473 A C 2.165 179.635 177.584 -0.190 0.000 1.181 473 A CA 1.800 53.758 52.037 -0.132 0.000 0.623 473 A CB -0.843 18.072 19.000 -0.142 0.000 0.818 473 A HN 0.608 nan 8.150 nan 0.000 0.443 474 Q N -1.056 118.666 119.800 -0.130 0.000 2.084 474 Q HA -0.161 4.182 4.340 0.005 0.000 0.202 474 Q C 2.396 178.297 176.000 -0.164 0.000 0.978 474 Q CA 1.417 57.146 55.803 -0.123 0.000 0.844 474 Q CB -0.189 28.503 28.738 -0.078 0.000 0.898 474 Q HN 0.643 nan 8.270 nan 0.000 0.426 475 R N 0.595 120.984 120.500 -0.184 0.000 2.083 475 R HA -0.119 4.224 4.340 0.005 0.000 0.237 475 R C 2.253 178.279 176.300 -0.457 0.000 1.137 475 R CA 1.130 57.046 56.100 -0.307 0.000 0.951 475 R CB -0.142 30.065 30.300 -0.156 0.000 0.851 475 R HN 0.244 nan 8.270 nan 0.000 0.434 476 L N -0.216 120.846 121.223 -0.268 0.000 2.093 476 L HA -0.164 4.179 4.340 0.005 0.000 0.208 476 L C 2.533 179.404 176.870 0.002 0.000 1.085 476 L CA 1.179 55.992 54.840 -0.045 0.000 0.755 476 L CB -0.319 41.555 42.059 -0.309 0.000 0.904 476 L HN 0.303 nan 8.230 nan 0.000 0.435 477 M N -0.705 118.817 119.600 -0.131 0.000 2.159 477 M HA -0.185 4.298 4.480 0.005 0.000 0.263 477 M C 2.311 178.612 176.300 0.003 0.000 1.063 477 M CA 1.506 56.756 55.300 -0.083 0.000 1.110 477 M CB -0.216 32.313 32.600 -0.118 0.000 1.374 477 M HN 0.047 nan 8.290 nan 0.000 0.411 478 K N -0.011 120.348 120.400 -0.069 0.000 2.002 478 K HA -0.144 4.179 4.320 0.005 0.000 0.209 478 K C 1.848 178.491 176.600 0.071 0.000 1.048 478 K CA 1.793 58.044 56.287 -0.061 0.000 0.930 478 K CB -0.731 31.663 32.500 -0.175 0.000 0.714 478 K HN 0.308 nan 8.250 nan 0.000 0.438 479 Y N -0.073 120.345 120.300 0.196 0.000 2.069 479 Y HA -0.275 4.279 4.550 0.007 0.000 0.278 479 Y C 2.530 178.554 175.900 0.207 0.000 1.175 479 Y CA 1.004 59.256 58.100 0.253 0.000 1.134 479 Y CB -0.915 37.836 38.460 0.484 0.000 0.965 479 Y HN 0.253 nan 8.280 nan 0.000 0.498 480 W N 0.606 121.979 121.300 0.122 0.000 2.353 480 W HA -0.251 4.412 4.660 0.003 0.000 0.319 480 W C 2.640 179.155 176.519 -0.007 0.000 1.207 480 W CA 2.409 59.758 57.345 0.007 0.000 1.291 480 W CB -0.806 28.595 29.460 -0.098 0.000 1.159 480 W HN 0.247 nan 8.180 nan 0.000 0.478 481 T N -1.523 113.130 114.554 0.165 0.000 2.788 481 T HA -0.194 4.159 4.350 0.005 0.000 0.268 481 T C 1.414 176.136 174.700 0.036 0.000 1.044 481 T CA 1.478 63.608 62.100 0.051 0.000 1.139 481 T CB -0.675 68.204 68.868 0.018 0.000 0.867 481 T HN -0.072 nan 8.240 nan 0.000 0.454 482 N N 1.102 119.838 118.700 0.059 0.000 2.043 482 N HA -0.036 4.707 4.740 0.005 0.000 0.193 482 N C 1.360 176.858 175.510 -0.021 0.000 1.037 482 N CA 1.297 54.361 53.050 0.024 0.000 0.851 482 N CB -0.832 37.689 38.487 0.057 0.000 1.027 482 N HN 0.511 nan 8.380 nan 0.000 0.422 483 F N 1.486 121.336 119.950 -0.167 0.000 2.095 483 F HA -0.155 4.375 4.527 0.004 0.000 0.298 483 F C 2.157 177.862 175.800 -0.158 0.000 1.104 483 F CA 1.574 59.421 58.000 -0.254 0.000 1.232 483 F CB -0.499 38.252 39.000 -0.415 0.000 0.987 483 F HN 0.058 nan 8.300 nan 0.000 0.475 484 A N 0.684 123.469 122.820 -0.057 0.000 1.892 484 A HA -0.236 4.087 4.320 0.005 0.000 0.218 484 A C 2.372 179.860 177.584 -0.159 0.000 1.188 484 A CA 1.999 53.973 52.037 -0.104 0.000 0.631 484 A CB -0.835 18.151 19.000 -0.023 0.000 0.822 484 A HN 0.480 nan 8.150 nan 0.000 0.447 485 R N -1.381 119.048 120.500 -0.118 0.000 2.073 485 R HA -0.095 4.248 4.340 0.005 0.000 0.234 485 R C 2.164 178.379 176.300 -0.142 0.000 1.134 485 R CA 1.992 58.032 56.100 -0.100 0.000 0.952 485 R CB -0.256 30.008 30.300 -0.059 0.000 0.850 485 R HN 0.764 nan 8.270 nan 0.000 0.433 486 T N -5.806 108.634 114.554 -0.191 0.000 2.969 486 T HA 0.228 4.581 4.350 0.005 0.000 0.258 486 T C 1.123 175.673 174.700 -0.250 0.000 0.962 486 T CA 0.449 62.445 62.100 -0.174 0.000 0.903 486 T CB 1.337 70.140 68.868 -0.109 0.000 1.177 486 T HN 0.341 nan 8.240 nan 0.000 0.511 487 G N 1.354 109.869 108.800 -0.475 0.000 2.136 487 G HA2 -0.134 3.829 3.960 0.005 0.000 0.242 487 G HA3 -0.134 3.829 3.960 0.005 0.000 0.242 487 G C -0.401 174.334 174.900 -0.275 0.000 0.989 487 G CA 0.149 44.868 45.100 -0.635 0.000 0.682 487 G HN 0.845 nan 8.290 nan 0.000 0.522 488 D N -0.865 119.386 120.400 -0.249 0.000 2.763 488 D HA 0.467 5.110 4.640 0.005 0.000 0.235 488 D C -1.204 174.945 176.300 -0.252 0.000 1.334 488 D CA -1.587 52.260 54.000 -0.255 0.000 0.950 488 D CB 1.976 42.739 40.800 -0.061 0.000 1.433 488 D HN -0.025 nan 8.370 nan 0.000 0.580 489 P HA -0.043 nan 4.420 nan 0.000 0.229 489 P C -0.010 177.353 177.300 0.105 0.000 1.160 489 P CA 0.144 63.114 63.100 -0.217 0.000 0.777 489 P CB 0.370 31.652 31.700 -0.696 0.000 0.814 490 N N 1.540 120.266 118.700 0.043 0.000 2.508 490 N HA 0.017 4.760 4.740 0.005 0.000 0.264 490 N C 0.053 175.640 175.510 0.127 0.000 1.216 490 N CA 0.325 53.481 53.050 0.177 0.000 0.943 490 N CB 0.458 39.043 38.487 0.162 0.000 1.113 490 N HN 0.004 nan 8.380 nan 0.000 0.447 491 D N 1.955 122.440 120.400 0.141 0.000 2.325 491 D HA 0.105 4.748 4.640 0.005 0.000 0.251 491 D C -1.269 175.072 176.300 0.068 0.000 1.196 491 D CA -1.638 52.413 54.000 0.085 0.000 0.866 491 D CB 1.198 42.043 40.800 0.074 0.000 1.101 491 D HN 0.303 nan 8.370 nan 0.000 0.476 492 P HA -0.101 nan 4.420 nan 0.000 0.220 492 P C 1.031 178.354 177.300 0.038 0.000 1.148 492 P CA 0.796 63.920 63.100 0.039 0.000 0.803 492 P CB 0.815 32.529 31.700 0.023 0.000 0.782 493 R N 0.614 121.135 120.500 0.034 0.000 2.088 493 R HA -0.024 4.319 4.340 0.005 0.000 0.195 493 R C 0.859 177.182 176.300 0.039 0.000 1.137 493 R CA 0.692 56.811 56.100 0.031 0.000 1.057 493 R CB -1.437 28.877 30.300 0.025 0.000 0.748 493 R HN 0.113 nan 8.270 nan 0.000 0.511 494 D N 0.969 121.394 120.400 0.041 0.000 2.455 494 D HA -0.070 4.573 4.640 0.005 0.000 0.265 494 D C 0.452 176.789 176.300 0.063 0.000 1.284 494 D CA 0.200 54.228 54.000 0.047 0.000 0.944 494 D CB 0.543 41.370 40.800 0.045 0.000 1.121 494 D HN 0.341 nan 8.370 nan 0.000 0.525 495 S N 3.017 118.751 115.700 0.058 0.000 2.539 495 S HA -0.001 4.471 4.470 0.005 0.000 0.221 495 S C 1.622 176.260 174.600 0.063 0.000 0.987 495 S CA -0.321 57.919 58.200 0.066 0.000 0.929 495 S CB 0.049 63.285 63.200 0.059 0.000 0.832 495 S HN 0.515 nan 8.310 nan 0.000 0.492 496 K N 1.840 122.273 120.400 0.055 0.000 2.009 496 K HA 0.026 4.349 4.320 0.005 0.000 0.210 496 K C 0.816 177.452 176.600 0.059 0.000 1.049 496 K CA 1.149 57.466 56.287 0.050 0.000 0.929 496 K CB -0.488 32.037 32.500 0.041 0.000 0.714 496 K HN 0.342 nan 8.250 nan 0.000 0.440 497 S N 1.761 117.504 115.700 0.070 0.000 2.566 497 S HA 0.091 4.564 4.470 0.005 0.000 0.280 497 S C -2.450 172.212 174.600 0.104 0.000 1.343 497 S CA -1.199 57.053 58.200 0.087 0.000 1.036 497 S CB 0.728 63.989 63.200 0.103 0.000 0.866 497 S HN 0.185 nan 8.310 nan 0.000 0.526 498 P HA 0.124 nan 4.420 nan 0.000 0.268 498 P C -0.500 176.887 177.300 0.144 0.000 1.204 498 P CA -0.278 62.882 63.100 0.099 0.000 0.768 498 P CB 0.373 32.115 31.700 0.070 0.000 0.842 499 Q N 1.229 121.116 119.800 0.146 0.000 2.394 499 Q HA 0.073 4.416 4.340 0.005 0.000 0.248 499 Q C -0.548 175.614 176.000 0.269 0.000 0.992 499 Q CA 0.365 56.291 55.803 0.206 0.000 0.888 499 Q CB 0.509 29.354 28.738 0.177 0.000 1.257 499 Q HN 0.558 nan 8.270 nan 0.000 0.462 500 W N 6.158 127.536 121.300 0.130 0.000 2.295 500 W HA 0.314 4.977 4.660 0.005 0.000 0.333 500 W C -2.430 174.246 176.519 0.263 0.000 0.990 500 W CA -2.766 54.672 57.345 0.155 0.000 1.453 500 W CB 0.443 29.956 29.460 0.089 0.000 1.263 500 W HN 0.369 nan 8.180 nan 0.000 0.380 501 P HA 0.157 nan 4.420 nan 0.000 0.271 501 P C -2.480 174.992 177.300 0.285 0.000 1.216 501 P CA -1.293 62.012 63.100 0.341 0.000 0.776 501 P CB 0.484 32.308 31.700 0.208 0.000 0.881 502 P HA -0.016 nan 4.420 nan 0.000 0.266 502 P C -0.524 176.768 177.300 -0.014 0.000 1.193 502 P CA 0.329 63.212 63.100 -0.360 0.000 0.770 502 P CB 0.050 31.542 31.700 -0.346 0.000 0.836 503 Y N 2.742 122.992 120.300 -0.084 0.000 2.402 503 Y HA 0.323 4.878 4.550 0.009 0.000 0.333 503 Y C 0.468 176.364 175.900 -0.007 0.000 1.076 503 Y CA 0.451 58.569 58.100 0.030 0.000 1.299 503 Y CB 0.300 38.803 38.460 0.071 0.000 1.197 503 Y HN 0.370 nan 8.280 nan 0.000 0.517 504 T N 0.211 114.537 114.554 -0.380 0.000 2.924 504 T HA 0.268 4.621 4.350 0.005 0.000 0.291 504 T C 0.907 175.371 174.700 -0.394 0.000 1.045 504 T CA -0.179 61.770 62.100 -0.251 0.000 1.015 504 T CB 1.404 70.185 68.868 -0.145 0.000 1.103 504 T HN 0.652 nan 8.240 nan 0.000 0.496 505 T N -0.775 113.682 114.554 -0.161 0.000 2.904 505 T HA 0.079 4.431 4.350 0.005 0.000 0.267 505 T C 2.328 176.966 174.700 -0.102 0.000 1.059 505 T CA 0.755 62.792 62.100 -0.105 0.000 1.137 505 T CB -0.832 68.034 68.868 -0.003 0.000 0.879 505 T HN 0.855 nan 8.240 nan 0.000 0.467 506 A N 2.260 125.027 122.820 -0.087 0.000 1.859 506 A HA 0.195 4.518 4.320 0.005 0.000 0.218 506 A C 2.630 180.166 177.584 -0.080 0.000 1.209 506 A CA 2.415 54.414 52.037 -0.063 0.000 0.639 506 A CB -1.274 17.698 19.000 -0.048 0.000 0.835 506 A HN 0.886 nan 8.150 nan 0.000 0.450 507 A N -3.033 119.712 122.820 -0.126 0.000 2.358 507 A HA 0.388 4.711 4.320 0.005 0.000 0.223 507 A C 0.695 178.196 177.584 -0.140 0.000 1.218 507 A CA 0.778 52.756 52.037 -0.098 0.000 0.942 507 A CB -0.010 18.954 19.000 -0.060 0.000 1.005 507 A HN 0.560 nan 8.150 nan 0.000 0.514 508 Q N 0.523 120.107 119.800 -0.361 0.000 2.439 508 Q HA -0.208 4.135 4.340 0.005 0.000 0.325 508 Q C -0.870 175.118 176.000 -0.020 0.000 1.372 508 Q CA 0.712 56.191 55.803 -0.540 0.000 0.909 508 Q CB -1.654 27.001 28.738 -0.138 0.000 1.167 508 Q HN 0.813 nan 8.270 nan 0.000 0.418 509 Q N 0.833 120.635 119.800 0.004 0.000 2.279 509 Q HA 0.457 4.799 4.340 0.005 0.000 0.256 509 Q C -0.396 175.880 176.000 0.460 0.000 0.937 509 Q CA -0.150 55.764 55.803 0.185 0.000 0.933 509 Q CB 0.606 29.402 28.738 0.097 0.000 1.189 509 Q HN 0.369 nan 8.270 nan 0.000 0.417 510 Y N -1.006 119.446 120.300 0.253 0.000 2.634 510 Y HA 0.762 5.323 4.550 0.018 0.000 0.340 510 Y C -0.708 175.217 175.900 0.041 0.000 1.058 510 Y CA -1.510 56.730 58.100 0.233 0.000 1.081 510 Y CB 0.634 39.225 38.460 0.218 0.000 1.295 510 Y HN 0.330 nan 8.280 nan 0.000 0.487 511 V N -0.512 119.369 119.914 -0.055 0.000 2.919 511 V HA 0.829 4.952 4.120 0.005 0.000 0.316 511 V C -0.247 175.771 176.094 -0.128 0.000 1.077 511 V CA -0.593 61.505 62.300 -0.337 0.000 0.977 511 V CB 1.289 32.618 31.823 -0.823 0.000 1.039 511 V HN 1.182 nan 8.190 nan 0.000 0.441 512 S N 3.479 119.097 115.700 -0.136 0.000 2.499 512 S HA 0.708 5.181 4.470 0.005 0.000 0.279 512 S C -0.506 174.061 174.600 -0.054 0.000 1.219 512 S CA -0.671 57.517 58.200 -0.019 0.000 1.062 512 S CB 0.632 63.812 63.200 -0.033 0.000 0.978 512 S HN 0.781 nan 8.310 nan 0.000 0.489 513 L N 4.187 125.425 121.223 0.025 0.000 2.277 513 L HA 0.547 4.890 4.340 0.005 0.000 0.284 513 L C -0.253 176.557 176.870 -0.101 0.000 1.028 513 L CA -0.425 54.456 54.840 0.069 0.000 0.835 513 L CB 0.050 42.227 42.059 0.197 0.000 1.215 513 L HN 0.966 nan 8.230 nan 0.000 0.425 514 N N 1.858 120.457 118.700 -0.169 0.000 3.308 514 N HA 0.289 5.032 4.740 0.005 0.000 0.276 514 N C 0.132 175.218 175.510 -0.706 0.000 1.533 514 N CA -0.993 51.688 53.050 -0.614 0.000 0.878 514 N CB 0.617 38.894 38.487 -0.351 0.000 1.566 514 N HN 0.207 nan 8.380 nan 0.000 0.546 515 L N -0.966 119.791 121.223 -0.776 0.000 2.353 515 L HA 0.011 4.354 4.340 0.005 0.000 0.220 515 L C 0.504 177.226 176.870 -0.246 0.000 1.133 515 L CA 1.051 55.543 54.840 -0.580 0.000 0.798 515 L CB -0.636 41.134 42.059 -0.483 0.000 0.922 515 L HN 0.430 nan 8.230 nan 0.000 0.445 516 K N -0.061 120.228 120.400 -0.184 0.000 2.107 516 K HA 0.293 4.616 4.320 0.005 0.000 0.251 516 K C -2.164 174.417 176.600 -0.032 0.000 1.012 516 K CA -1.862 54.373 56.287 -0.086 0.000 0.920 516 K CB 0.033 32.488 32.500 -0.075 0.000 1.033 516 K HN -0.213 nan 8.250 nan 0.000 0.478 517 P HA -0.014 nan 4.420 nan 0.000 0.271 517 P C -0.448 176.865 177.300 0.021 0.000 1.244 517 P CA -0.262 62.862 63.100 0.041 0.000 0.793 517 P CB 0.372 32.095 31.700 0.038 0.000 0.984 518 L N 0.843 122.090 121.223 0.040 0.000 2.559 518 L HA -0.013 4.330 4.340 0.005 0.000 0.274 518 L C 1.059 177.896 176.870 -0.055 0.000 1.205 518 L CA 0.691 55.508 54.840 -0.038 0.000 0.907 518 L CB -0.409 41.617 42.059 -0.056 0.000 1.153 518 L HN 0.507 nan 8.230 nan 0.000 0.490 519 E N 3.364 123.507 120.200 -0.095 0.000 2.158 519 E HA 0.395 4.748 4.350 0.005 0.000 0.271 519 E C -1.265 175.244 176.600 -0.152 0.000 0.911 519 E CA -0.772 55.572 56.400 -0.094 0.000 0.767 519 E CB 1.816 31.468 29.700 -0.079 0.000 1.120 519 E HN 0.309 nan 8.360 nan 0.000 0.405 520 V N 5.276 125.112 119.914 -0.131 0.000 2.498 520 V HA 0.375 4.498 4.120 0.005 0.000 0.279 520 V C 0.324 176.281 176.094 -0.227 0.000 1.048 520 V CA -0.224 61.975 62.300 -0.168 0.000 0.967 520 V CB 0.922 32.700 31.823 -0.075 0.000 0.988 520 V HN 0.708 nan 8.190 nan 0.000 0.473 521 R N 3.530 123.770 120.500 -0.433 0.000 2.854 521 R HA 0.740 5.083 4.340 0.005 0.000 0.271 521 R C -0.995 175.097 176.300 -0.346 0.000 0.996 521 R CA -1.160 54.660 56.100 -0.467 0.000 0.961 521 R CB 2.206 32.076 30.300 -0.717 0.000 1.182 521 R HN 0.508 nan 8.270 nan 0.000 0.479 522 R N -0.095 120.354 120.500 -0.085 0.000 2.460 522 R HA 0.495 4.838 4.340 0.005 0.000 0.303 522 R C -0.673 175.772 176.300 0.242 0.000 0.968 522 R CA 0.199 56.347 56.100 0.080 0.000 0.889 522 R CB 2.041 32.368 30.300 0.045 0.000 1.123 522 R HN 0.899 nan 8.270 nan 0.000 0.455 523 G N 2.507 111.518 108.800 0.352 0.000 3.405 523 G HA2 -0.202 3.761 3.960 0.005 0.000 0.676 523 G HA3 -0.202 3.761 3.960 0.005 0.000 0.676 523 G C -1.349 173.801 174.900 0.417 0.000 1.039 523 G CA -0.909 44.392 45.100 0.335 0.000 0.855 523 G HN 0.421 nan 8.290 nan 0.000 0.443 524 L N 4.106 125.484 121.223 0.257 0.000 2.334 524 L HA 0.529 4.872 4.340 0.005 0.000 0.286 524 L C 1.636 178.543 176.870 0.061 0.000 1.108 524 L CA -0.390 54.425 54.840 -0.043 0.000 0.875 524 L CB -0.055 41.894 42.059 -0.183 0.000 1.246 524 L HN 0.672 nan 8.230 nan 0.000 0.439 525 R N 2.848 123.411 120.500 0.105 0.000 3.387 525 R HA -0.302 4.041 4.340 0.005 0.000 0.254 525 R C 1.435 177.844 176.300 0.181 0.000 1.006 525 R CA 0.686 56.883 56.100 0.161 0.000 0.677 525 R CB -2.166 28.240 30.300 0.176 0.000 1.063 525 R HN 0.793 nan 8.270 nan 0.000 0.453 526 A N 0.656 123.581 122.820 0.175 0.000 1.896 526 A HA -0.300 4.023 4.320 0.005 0.000 0.220 526 A C 2.103 179.786 177.584 0.164 0.000 1.206 526 A CA 1.650 53.788 52.037 0.167 0.000 0.647 526 A CB -0.159 18.933 19.000 0.154 0.000 0.828 526 A HN 0.413 nan 8.150 nan 0.000 0.455 527 Q N -0.962 118.936 119.800 0.163 0.000 2.046 527 Q HA -0.092 4.251 4.340 0.005 0.000 0.200 527 Q C 2.334 178.451 176.000 0.195 0.000 0.975 527 Q CA 2.080 57.982 55.803 0.165 0.000 0.836 527 Q CB -1.183 27.648 28.738 0.156 0.000 0.896 527 Q HN 0.711 nan 8.270 nan 0.000 0.428 528 T N 0.522 115.217 114.554 0.235 0.000 2.746 528 T HA -0.123 4.230 4.350 0.005 0.000 0.267 528 T C 2.071 176.963 174.700 0.320 0.000 1.039 528 T CA 1.244 63.473 62.100 0.216 0.000 1.142 528 T CB -0.369 68.717 68.868 0.364 0.000 0.866 528 T HN 0.292 nan 8.240 nan 0.000 0.444 529 c N 1.555 120.350 118.600 0.325 0.000 2.448 529 c HA 0.254 4.827 4.570 0.005 0.000 0.280 529 c C 3.151 177.401 174.090 0.267 0.000 1.398 529 c CA -0.057 56.479 56.329 0.344 0.000 1.774 529 c CB -1.466 41.186 42.510 0.237 0.000 1.888 529 c HN 0.651 nan 8.230 nan 0.000 0.519 530 A N 0.499 123.443 122.820 0.207 0.000 1.883 530 A HA -0.238 4.085 4.320 0.005 0.000 0.217 530 A C 1.882 179.563 177.584 0.163 0.000 1.186 530 A CA 1.898 54.033 52.037 0.163 0.000 0.624 530 A CB -0.921 18.162 19.000 0.138 0.000 0.822 530 A HN 0.537 nan 8.150 nan 0.000 0.444 531 F N -0.822 119.109 119.950 -0.031 0.000 2.043 531 F HA -0.242 4.288 4.527 0.003 0.000 0.297 531 F C 2.035 177.797 175.800 -0.064 0.000 1.121 531 F CA 2.087 59.994 58.000 -0.154 0.000 1.199 531 F CB -0.620 38.023 39.000 -0.595 0.000 0.968 531 F HN 0.399 nan 8.300 nan 0.000 0.478 532 W N 0.461 121.763 121.300 0.003 0.000 2.409 532 W HA -0.127 4.534 4.660 0.002 0.000 0.299 532 W C 2.303 178.775 176.519 -0.079 0.000 1.203 532 W CA 0.983 58.284 57.345 -0.074 0.000 1.298 532 W CB -0.510 29.038 29.460 0.148 0.000 1.127 532 W HN -0.030 nan 8.180 nan 0.000 0.528 533 N N -0.296 118.535 118.700 0.219 0.000 2.333 533 N HA 0.018 4.761 4.740 0.005 0.000 0.178 533 N C 1.505 177.051 175.510 0.059 0.000 1.018 533 N CA 1.007 54.132 53.050 0.125 0.000 0.882 533 N CB -0.198 38.362 38.487 0.123 0.000 0.984 533 N HN 0.231 nan 8.380 nan 0.000 0.434 534 R N -1.121 119.412 120.500 0.054 0.000 2.119 534 R HA 0.226 4.568 4.340 0.005 0.000 0.202 534 R C 1.625 177.941 176.300 0.027 0.000 1.114 534 R CA 0.021 56.151 56.100 0.049 0.000 1.089 534 R CB -0.357 29.996 30.300 0.088 0.000 1.000 534 R HN 0.018 nan 8.270 nan 0.000 0.487 535 F N 1.477 121.335 119.950 -0.154 0.000 2.074 535 F HA -0.011 4.519 4.527 0.005 0.000 0.293 535 F C 1.933 177.560 175.800 -0.289 0.000 1.116 535 F CA 1.015 58.893 58.000 -0.203 0.000 1.212 535 F CB -0.462 38.421 39.000 -0.195 0.000 0.998 535 F HN -0.116 nan 8.300 nan 0.000 0.471 536 L N 0.863 121.717 121.223 -0.614 0.000 2.043 536 L HA -0.164 4.179 4.340 0.005 0.000 0.212 536 L C -0.856 175.765 176.870 -0.416 0.000 1.075 536 L CA 2.020 56.462 54.840 -0.664 0.000 0.752 536 L CB -1.601 40.057 42.059 -0.668 0.000 0.891 536 L HN 0.050 nan 8.230 nan 0.000 0.432 537 P HA -0.240 nan 4.420 nan 0.000 0.215 537 P C 1.143 178.309 177.300 -0.223 0.000 1.163 537 P CA 1.812 64.808 63.100 -0.174 0.000 0.894 537 P CB -0.186 31.451 31.700 -0.105 0.000 0.791 538 K N -1.028 119.204 120.400 -0.281 0.000 2.211 538 K HA -0.123 4.200 4.320 0.005 0.000 0.204 538 K C 1.885 178.280 176.600 -0.341 0.000 1.047 538 K CA 0.973 57.098 56.287 -0.270 0.000 0.935 538 K CB -0.936 31.423 32.500 -0.235 0.000 0.728 538 K HN 0.138 nan 8.250 nan 0.000 0.452 539 L N 1.056 121.963 121.223 -0.527 0.000 2.465 539 L HA -0.010 4.333 4.340 0.005 0.000 0.224 539 L C 1.679 178.412 176.870 -0.229 0.000 1.145 539 L CA 1.115 55.697 54.840 -0.429 0.000 0.834 539 L CB -0.081 41.644 42.059 -0.557 0.000 0.944 539 L HN 0.082 nan 8.230 nan 0.000 0.451 540 L N -1.923 119.180 121.223 -0.199 0.000 2.585 540 L HA 0.157 4.500 4.340 0.005 0.000 0.226 540 L C 0.707 177.520 176.870 -0.096 0.000 1.113 540 L CA -0.079 54.689 54.840 -0.120 0.000 0.876 540 L CB -0.062 41.939 42.059 -0.096 0.000 1.072 540 L HN -0.036 nan 8.230 nan 0.000 0.468 541 S N 1.683 117.316 115.700 -0.111 0.000 2.485 541 S HA 0.568 5.041 4.470 0.005 0.000 0.312 541 S C 0.586 175.144 174.600 -0.069 0.000 1.102 541 S CA 0.131 58.282 58.200 -0.080 0.000 1.066 541 S CB 0.245 63.398 63.200 -0.078 0.000 1.102 541 S HN 0.431 nan 8.310 nan 0.000 0.519 542 A N 0.000 122.789 122.820 -0.052 0.000 2.254 542 A HA 0.000 4.323 4.320 0.005 0.000 0.244 542 A CA 0.000 52.014 52.037 -0.039 0.000 0.836 542 A CB 0.000 18.983 19.000 -0.029 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486