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 2xud_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 GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXGNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV 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 0.000 176.613 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.026 0.000 0.976 1 E CB 0.000 29.717 29.700 0.028 0.000 0.812 2 G N 2.164 110.974 108.800 0.017 0.000 2.830 2 G HA2 -0.364 3.603 3.960 0.011 0.000 0.230 2 G HA3 -0.364 3.603 3.960 0.011 0.000 0.230 2 G C 1.493 176.401 174.900 0.014 0.000 1.172 2 G CA 1.603 46.711 45.100 0.014 0.000 0.764 2 G HN 0.177 nan 8.290 nan 0.000 0.640 3 R N 1.035 121.544 120.500 0.014 0.000 2.397 3 R HA 0.208 4.555 4.340 0.011 0.000 0.241 3 R C 0.537 176.848 176.300 0.018 0.000 0.914 3 R CA -0.055 56.053 56.100 0.014 0.000 1.071 3 R CB 0.194 30.500 30.300 0.010 0.000 1.116 3 R HN 0.560 nan 8.270 nan 0.000 0.524 4 E N 1.516 121.729 120.200 0.021 0.000 2.409 4 E HA -0.035 4.322 4.350 0.011 0.000 0.257 4 E C -0.328 176.293 176.600 0.035 0.000 1.150 4 E CA -0.115 56.300 56.400 0.027 0.000 0.942 4 E CB 0.673 30.392 29.700 0.031 0.000 0.979 4 E HN -0.113 nan 8.360 nan 0.000 0.447 5 D N 2.052 122.480 120.400 0.046 0.000 2.338 5 D HA 0.035 4.682 4.640 0.011 0.000 0.255 5 D C -1.502 174.837 176.300 0.064 0.000 1.237 5 D CA -2.216 51.825 54.000 0.069 0.000 0.883 5 D CB 0.922 41.785 40.800 0.105 0.000 1.087 5 D HN 0.059 nan 8.370 nan 0.000 0.485 6 P HA -0.189 nan 4.420 nan 0.000 0.221 6 P C 0.960 178.270 177.300 0.016 0.000 1.145 6 P CA 0.826 63.941 63.100 0.026 0.000 0.795 6 P CB 0.451 32.157 31.700 0.010 0.000 0.775 7 Q N -0.460 119.342 119.800 0.003 0.000 2.444 7 Q HA 0.097 4.443 4.340 0.011 0.000 0.206 7 Q C 1.521 177.563 176.000 0.070 0.000 0.948 7 Q CA 0.619 56.388 55.803 -0.058 0.000 0.946 7 Q CB -0.681 27.863 28.738 -0.322 0.000 1.027 7 Q HN 0.259 nan 8.270 nan 0.000 0.513 8 L N -0.284 121.013 121.223 0.124 0.000 2.906 8 L HA 0.331 4.678 4.340 0.011 0.000 0.255 8 L C -0.506 176.524 176.870 0.267 0.000 1.166 8 L CA -0.183 54.769 54.840 0.186 0.000 0.977 8 L CB 0.488 42.583 42.059 0.061 0.000 1.313 8 L HN 0.014 nan 8.230 nan 0.000 0.549 9 L N 0.811 122.142 121.223 0.179 0.000 2.265 9 L HA 0.541 4.888 4.340 0.011 0.000 0.289 9 L C -0.623 176.292 176.870 0.075 0.000 1.033 9 L CA -0.445 54.484 54.840 0.148 0.000 0.814 9 L CB 1.786 43.896 42.059 0.085 0.000 1.203 9 L HN -0.231 nan 8.230 nan 0.000 0.423 10 V N 3.582 123.524 119.914 0.046 0.000 2.789 10 V HA 0.481 4.608 4.120 0.011 0.000 0.311 10 V C -0.292 175.739 176.094 -0.106 0.000 1.073 10 V CA -0.684 61.502 62.300 -0.188 0.000 0.921 10 V CB 2.797 34.224 31.823 -0.660 0.000 1.009 10 V HN 0.740 nan 8.190 nan 0.000 0.426 11 R N 2.922 123.335 120.500 -0.145 0.000 2.407 11 R HA 0.800 5.147 4.340 0.011 0.000 0.303 11 R C -0.747 175.479 176.300 -0.122 0.000 0.981 11 R CA -0.294 55.756 56.100 -0.082 0.000 0.905 11 R CB 1.742 31.988 30.300 -0.089 0.000 1.099 11 R HN 0.673 nan 8.270 nan 0.000 0.459 12 V N 1.710 121.607 119.914 -0.029 0.000 3.181 12 V HA 0.498 4.624 4.120 0.011 0.000 0.314 12 V C 1.122 177.148 176.094 -0.113 0.000 1.173 12 V CA -0.960 61.311 62.300 -0.050 0.000 1.052 12 V CB 1.592 33.509 31.823 0.156 0.000 1.123 12 V HN 0.869 nan 8.190 nan 0.000 0.454 13 R N 1.242 121.656 120.500 -0.144 0.000 2.133 13 R HA -0.044 4.303 4.340 0.011 0.000 0.247 13 R C 1.694 177.874 176.300 -0.200 0.000 1.151 13 R CA 2.550 58.562 56.100 -0.146 0.000 0.971 13 R CB -1.121 29.107 30.300 -0.120 0.000 0.866 13 R HN 1.057 nan 8.270 nan 0.000 0.447 14 G N -2.135 106.505 108.800 -0.268 0.000 2.939 14 G HA2 0.432 4.399 3.960 0.011 0.000 0.210 14 G HA3 0.432 4.399 3.960 0.011 0.000 0.210 14 G C 0.300 174.268 174.900 -1.553 0.000 1.160 14 G CA 0.254 44.939 45.100 -0.690 0.000 0.770 14 G HN 0.734 nan 8.290 nan 0.000 0.543 15 G N -0.787 107.419 108.800 -0.990 0.000 2.302 15 G HA2 0.068 4.035 3.960 0.011 0.000 0.276 15 G HA3 0.068 4.035 3.960 0.011 0.000 0.276 15 G C -1.140 173.717 174.900 -0.071 0.000 1.316 15 G CA -0.988 43.647 45.100 -0.775 0.000 0.988 15 G HN 0.299 nan 8.290 nan 0.000 0.479 16 Q N -0.272 119.641 119.800 0.187 0.000 2.259 16 Q HA 0.679 5.026 4.340 0.011 0.000 0.249 16 Q C -0.417 175.881 176.000 0.496 0.000 0.914 16 Q CA -0.146 55.831 55.803 0.290 0.000 0.904 16 Q CB 1.682 30.530 28.738 0.184 0.000 1.213 16 Q HN 0.461 nan 8.270 nan 0.000 0.428 17 L N 1.529 122.966 121.223 0.358 0.000 2.370 17 L HA 0.620 4.966 4.340 0.011 0.000 0.266 17 L C -0.448 176.610 176.870 0.312 0.000 1.002 17 L CA -0.853 54.199 54.840 0.353 0.000 0.818 17 L CB 2.131 44.448 42.059 0.429 0.000 1.325 17 L HN 0.463 nan 8.230 nan 0.000 0.418 18 R N 0.757 121.405 120.500 0.247 0.000 2.343 18 R HA 0.644 4.991 4.340 0.011 0.000 0.320 18 R C -0.163 176.206 176.300 0.116 0.000 0.956 18 R CA -0.298 55.915 56.100 0.189 0.000 0.836 18 R CB 1.615 31.968 30.300 0.090 0.000 1.151 18 R HN 0.839 nan 8.270 nan 0.000 0.450 19 G N 3.400 112.178 108.800 -0.037 0.000 2.543 19 G HA2 0.440 4.407 3.960 0.011 0.000 0.267 19 G HA3 0.440 4.407 3.960 0.011 0.000 0.267 19 G C -0.915 173.743 174.900 -0.404 0.000 1.406 19 G CA -0.685 44.057 45.100 -0.597 0.000 1.048 19 G HN 0.585 nan 8.290 nan 0.000 0.548 20 I N -0.855 119.435 120.570 -0.467 0.000 2.686 20 I HA 0.475 4.652 4.170 0.011 0.000 0.295 20 I C -0.263 175.721 176.117 -0.221 0.000 1.114 20 I CA -1.100 60.038 61.300 -0.270 0.000 1.038 20 I CB 2.167 40.024 38.000 -0.238 0.000 1.238 20 I HN 0.410 nan 8.210 nan 0.000 0.420 21 R N 7.832 128.242 120.500 -0.150 0.000 2.216 21 R HA 0.511 4.858 4.340 0.011 0.000 0.332 21 R C -1.729 174.463 176.300 -0.179 0.000 1.056 21 R CA -0.316 55.674 56.100 -0.182 0.000 0.901 21 R CB 0.474 30.617 30.300 -0.263 0.000 1.039 21 R HN 0.632 nan 8.270 nan 0.000 0.456 22 L N 4.055 125.190 121.223 -0.148 0.000 2.330 22 L HA 0.472 4.819 4.340 0.011 0.000 0.271 22 L C -0.026 176.773 176.870 -0.119 0.000 1.013 22 L CA -1.021 53.753 54.840 -0.110 0.000 0.816 22 L CB 2.024 44.051 42.059 -0.054 0.000 1.287 22 L HN 0.485 nan 8.230 nan 0.000 0.435 23 K N 1.618 121.956 120.400 -0.103 0.000 2.227 23 K HA 0.638 4.965 4.320 0.011 0.000 0.280 23 K C -0.582 175.961 176.600 -0.094 0.000 1.041 23 K CA -0.316 55.916 56.287 -0.091 0.000 0.905 23 K CB 1.667 34.126 32.500 -0.069 0.000 1.068 23 K HN 0.645 nan 8.250 nan 0.000 0.470 24 A N 4.292 127.060 122.820 -0.086 0.000 2.330 24 A HA 0.484 4.811 4.320 0.011 0.000 0.329 24 A C -1.981 175.608 177.584 0.009 0.000 1.135 24 A CA -1.756 50.228 52.037 -0.087 0.000 0.817 24 A CB 0.687 19.610 19.000 -0.128 0.000 1.269 24 A HN 0.452 nan 8.150 nan 0.000 0.469 25 P HA -0.188 nan 4.420 nan 0.000 0.217 25 P C 1.468 178.799 177.300 0.053 0.000 1.162 25 P CA 2.405 65.557 63.100 0.086 0.000 0.901 25 P CB 0.159 31.938 31.700 0.133 0.000 0.793 26 G N -2.304 106.530 108.800 0.058 0.000 2.712 26 G HA2 0.383 4.349 3.960 0.011 0.000 0.212 26 G HA3 0.383 4.349 3.960 0.011 0.000 0.212 26 G C 0.613 175.530 174.900 0.028 0.000 1.142 26 G CA 0.631 45.756 45.100 0.041 0.000 0.789 26 G HN 0.675 nan 8.290 nan 0.000 0.535 27 G N -0.813 107.996 108.800 0.016 0.000 2.359 27 G HA2 0.364 4.330 3.960 0.011 0.000 0.293 27 G HA3 0.364 4.330 3.960 0.011 0.000 0.293 27 G C -3.382 171.504 174.900 -0.022 0.000 1.300 27 G CA -0.670 44.431 45.100 0.001 0.000 0.888 27 G HN 0.041 nan 8.290 nan 0.000 0.541 28 P HA 0.515 nan 4.420 nan 0.000 0.278 28 P C 0.033 177.327 177.300 -0.011 0.000 1.238 28 P CA -0.235 62.788 63.100 -0.128 0.000 0.794 28 P CB 1.657 33.143 31.700 -0.356 0.000 0.955 29 V N -0.665 119.247 119.914 -0.003 0.000 3.074 29 V HA 0.705 4.832 4.120 0.011 0.000 0.314 29 V C -0.527 175.664 176.094 0.160 0.000 1.117 29 V CA -0.867 61.517 62.300 0.140 0.000 1.014 29 V CB 1.967 33.878 31.823 0.147 0.000 1.057 29 V HN 0.435 nan 8.190 nan 0.000 0.438 30 S N 1.727 117.586 115.700 0.265 0.000 2.462 30 S HA 0.886 5.363 4.470 0.011 0.000 0.294 30 S C -0.050 174.580 174.600 0.049 0.000 1.144 30 S CA 0.002 58.309 58.200 0.178 0.000 1.088 30 S CB 1.239 64.636 63.200 0.329 0.000 1.009 30 S HN 1.567 nan 8.310 nan 0.000 0.484 31 A N 2.477 125.132 122.820 -0.275 0.000 2.386 31 A HA 0.845 5.172 4.320 0.011 0.000 0.311 31 A C -1.357 175.820 177.584 -0.679 0.000 1.068 31 A CA -0.646 51.122 52.037 -0.447 0.000 0.743 31 A CB 0.594 19.262 19.000 -0.554 0.000 1.258 31 A HN 0.665 nan 8.150 nan 0.000 0.429 32 F N 2.240 122.025 119.950 -0.275 0.000 2.513 32 F HA 0.483 5.016 4.527 0.011 0.000 0.358 32 F C -0.294 175.326 175.800 -0.301 0.000 1.118 32 F CA -0.338 57.573 58.000 -0.148 0.000 1.037 32 F CB 1.400 40.472 39.000 0.120 0.000 1.276 32 F HN 0.337 nan 8.300 nan 0.000 0.446 33 L N 2.284 123.364 121.223 -0.237 0.000 2.317 33 L HA 0.717 5.064 4.340 0.011 0.000 0.281 33 L C 0.875 177.651 176.870 -0.157 0.000 1.024 33 L CA -1.037 53.604 54.840 -0.332 0.000 0.810 33 L CB 1.702 43.366 42.059 -0.659 0.000 1.240 33 L HN 0.838 nan 8.230 nan 0.000 0.427 34 G N 3.229 111.996 108.800 -0.055 0.000 2.272 34 G HA2 -0.251 3.715 3.960 0.011 0.000 0.280 34 G HA3 -0.251 3.715 3.960 0.011 0.000 0.280 34 G C -0.137 174.816 174.900 0.089 0.000 1.067 34 G CA -0.337 44.741 45.100 -0.038 0.000 0.902 34 G HN 0.500 nan 8.290 nan 0.000 0.500 35 I N 1.841 122.483 120.570 0.120 0.000 2.452 35 I HA 0.225 4.402 4.170 0.011 0.000 0.287 35 I C -1.463 174.761 176.117 0.180 0.000 1.079 35 I CA -2.082 59.292 61.300 0.123 0.000 1.387 35 I CB 0.944 38.976 38.000 0.053 0.000 1.404 35 I HN -0.013 nan 8.210 nan 0.000 0.522 36 P HA 0.055 nan 4.420 nan 0.000 0.276 36 P C -0.243 177.038 177.300 -0.032 0.000 1.235 36 P CA -0.029 62.955 63.100 -0.195 0.000 0.772 36 P CB 0.481 32.071 31.700 -0.184 0.000 0.871 37 F N 0.853 120.679 119.950 -0.206 0.000 2.706 37 F HA 0.741 5.275 4.527 0.012 0.000 0.313 37 F C 0.041 175.853 175.800 0.019 0.000 1.096 37 F CA -0.816 57.142 58.000 -0.069 0.000 1.219 37 F CB 0.237 39.086 39.000 -0.251 0.000 1.051 37 F HN 0.321 nan 8.300 nan 0.000 0.568 38 A N -0.044 122.527 122.820 -0.415 0.000 2.606 38 A HA 0.579 4.905 4.320 0.011 0.000 0.293 38 A C -0.975 176.461 177.584 -0.246 0.000 1.082 38 A CA -0.780 51.088 52.037 -0.283 0.000 0.685 38 A CB 0.992 19.741 19.000 -0.417 0.000 1.284 38 A HN 0.039 nan 8.150 nan 0.000 0.408 39 E N 1.445 121.574 120.200 -0.119 0.000 2.376 39 E HA 0.246 4.603 4.350 0.011 0.000 0.266 39 E C -2.317 174.198 176.600 -0.143 0.000 1.009 39 E CA -1.436 54.908 56.400 -0.094 0.000 0.902 39 E CB 0.071 29.751 29.700 -0.034 0.000 0.972 39 E HN 0.237 nan 8.360 nan 0.000 0.439 40 P HA -0.007 nan 4.420 nan 0.000 0.257 40 P C -2.254 174.979 177.300 -0.112 0.000 1.189 40 P CA -0.690 62.327 63.100 -0.139 0.000 0.780 40 P CB -0.118 31.534 31.700 -0.080 0.000 0.772 41 P HA 0.009 nan 4.420 nan 0.000 0.226 41 P C -0.310 176.922 177.300 -0.115 0.000 1.783 41 P CA 0.110 63.147 63.100 -0.105 0.000 0.980 41 P CB -0.142 31.497 31.700 -0.102 0.000 1.967 42 V N -2.210 117.645 119.914 -0.099 0.000 2.994 42 V HA 0.909 5.035 4.120 0.011 0.000 0.318 42 V C 0.992 177.035 176.094 -0.085 0.000 1.085 42 V CA 0.105 62.343 62.300 -0.104 0.000 0.998 42 V CB 0.888 32.660 31.823 -0.086 0.000 1.063 42 V HN 0.570 nan 8.190 nan 0.000 0.447 43 G N 2.677 111.426 108.800 -0.086 0.000 2.602 43 G HA2 -0.346 3.621 3.960 0.011 0.000 0.310 43 G HA3 -0.346 3.621 3.960 0.011 0.000 0.310 43 G C 1.170 176.037 174.900 -0.054 0.000 1.183 43 G CA 1.590 46.654 45.100 -0.059 0.000 0.979 43 G HN 2.356 nan 8.290 nan 0.000 0.545 44 S N 0.412 116.094 115.700 -0.031 0.000 2.603 44 S HA 0.176 4.653 4.470 0.011 0.000 0.229 44 S C 1.775 176.367 174.600 -0.014 0.000 0.972 44 S CA 1.385 59.578 58.200 -0.012 0.000 0.935 44 S CB 0.132 63.332 63.200 0.001 0.000 0.769 44 S HN 0.648 nan 8.310 nan 0.000 0.536 45 R N 0.537 121.012 120.500 -0.042 0.000 2.362 45 R HA 0.286 4.633 4.340 0.011 0.000 0.227 45 R C 0.711 176.963 176.300 -0.081 0.000 0.905 45 R CA -0.336 55.740 56.100 -0.041 0.000 1.067 45 R CB 0.219 30.493 30.300 -0.043 0.000 1.078 45 R HN 0.324 nan 8.270 nan 0.000 0.516 46 R N 0.744 121.148 120.500 -0.161 0.000 2.570 46 R HA -0.095 4.252 4.340 0.011 0.000 0.277 46 R C -0.403 175.697 176.300 -0.332 0.000 1.039 46 R CA 0.601 56.472 56.100 -0.381 0.000 1.065 46 R CB 0.177 30.118 30.300 -0.599 0.000 0.964 46 R HN 0.102 nan 8.270 nan 0.000 0.428 47 F N -1.031 118.927 119.950 0.013 0.000 2.748 47 F HA -0.285 4.249 4.527 0.011 0.000 0.370 47 F C -0.088 175.696 175.800 -0.026 0.000 0.620 47 F CA 0.559 58.543 58.000 -0.027 0.000 1.233 47 F CB -1.881 37.094 39.000 -0.042 0.000 1.708 47 F HN 0.496 nan 8.300 nan 0.000 0.298 48 M N 1.208 120.865 119.600 0.096 0.000 2.423 48 M HA 0.592 5.078 4.480 0.011 0.000 0.335 48 M C -2.227 174.097 176.300 0.040 0.000 1.177 48 M CA -2.068 53.272 55.300 0.067 0.000 1.038 48 M CB 0.931 33.556 32.600 0.042 0.000 1.641 48 M HN -0.315 nan 8.290 nan 0.000 0.455 49 P HA 0.112 nan 4.420 nan 0.000 0.265 49 P C -2.599 174.726 177.300 0.043 0.000 1.187 49 P CA -0.463 62.666 63.100 0.049 0.000 0.766 49 P CB -0.455 31.283 31.700 0.064 0.000 0.820 50 P HA 0.197 nan 4.420 nan 0.000 0.274 50 P C -0.652 176.680 177.300 0.053 0.000 1.231 50 P CA -0.010 63.112 63.100 0.037 0.000 0.790 50 P CB 1.020 32.756 31.700 0.060 0.000 0.951 51 E N 2.046 122.264 120.200 0.030 0.000 2.195 51 E HA 0.376 4.733 4.350 0.011 0.000 0.271 51 E C -2.320 174.314 176.600 0.057 0.000 0.923 51 E CA -2.402 54.025 56.400 0.045 0.000 0.790 51 E CB 0.748 30.465 29.700 0.028 0.000 1.155 51 E HN 0.326 nan 8.360 nan 0.000 0.402 52 P HA -0.107 nan 4.420 nan 0.000 0.263 52 P C -0.649 176.716 177.300 0.108 0.000 1.175 52 P CA 0.076 63.253 63.100 0.128 0.000 0.761 52 P CB 0.361 32.133 31.700 0.120 0.000 0.794 53 K N 4.158 124.644 120.400 0.143 0.000 2.472 53 K HA -0.025 4.302 4.320 0.011 0.000 0.280 53 K C 0.102 176.800 176.600 0.162 0.000 1.028 53 K CA 0.593 56.968 56.287 0.147 0.000 1.045 53 K CB 0.069 32.708 32.500 0.232 0.000 0.902 53 K HN 0.279 nan 8.250 nan 0.000 0.478 54 R N 5.378 125.959 120.500 0.135 0.000 2.491 54 R HA 0.147 4.494 4.340 0.011 0.000 0.283 54 R C -1.986 174.409 176.300 0.159 0.000 1.072 54 R CA -1.661 54.507 56.100 0.114 0.000 1.048 54 R CB 0.178 30.532 30.300 0.090 0.000 0.983 54 R HN 0.574 nan 8.270 nan 0.000 0.450 55 P HA -0.074 nan 4.420 nan 0.000 0.266 55 P C -0.970 176.358 177.300 0.046 0.000 1.195 55 P CA 0.068 63.113 63.100 -0.091 0.000 0.768 55 P CB 0.296 31.887 31.700 -0.182 0.000 0.838 56 W N 1.632 122.966 121.300 0.058 0.000 2.485 56 W HA 0.686 5.352 4.660 0.011 0.000 0.364 56 W C -0.552 175.993 176.519 0.043 0.000 1.171 56 W CA -0.815 56.561 57.345 0.051 0.000 1.304 56 W CB 0.079 29.577 29.460 0.063 0.000 1.335 56 W HN 0.387 nan 8.180 nan 0.000 0.643 57 S N 0.976 116.808 115.700 0.220 0.000 2.607 57 S HA 0.891 5.368 4.470 0.011 0.000 0.303 57 S C 0.185 174.937 174.600 0.253 0.000 1.086 57 S CA -0.179 58.093 58.200 0.121 0.000 0.995 57 S CB 1.092 64.332 63.200 0.067 0.000 1.084 57 S HN 2.145 nan 8.310 nan 0.000 0.507 58 G N -0.107 108.801 108.800 0.180 0.000 2.725 58 G HA2 -0.070 3.897 3.960 0.011 0.000 0.220 58 G HA3 -0.070 3.897 3.960 0.011 0.000 0.220 58 G C -0.936 174.137 174.900 0.288 0.000 1.357 58 G CA -0.444 44.771 45.100 0.191 0.000 0.866 58 G HN 1.619 nan 8.290 nan 0.000 0.548 59 V N 0.829 120.871 119.914 0.213 0.000 2.350 59 V HA 0.530 4.657 4.120 0.011 0.000 0.276 59 V C 0.860 177.049 176.094 0.159 0.000 1.028 59 V CA -0.286 62.147 62.300 0.222 0.000 0.860 59 V CB 1.186 33.093 31.823 0.140 0.000 0.990 59 V HN 0.830 nan 8.190 nan 0.000 0.453 60 L N 4.728 126.047 121.223 0.161 0.000 2.360 60 L HA 0.324 4.671 4.340 0.011 0.000 0.276 60 L C 0.581 177.429 176.870 -0.036 0.000 1.121 60 L CA 0.092 54.854 54.840 -0.131 0.000 0.845 60 L CB 0.609 42.292 42.059 -0.626 0.000 1.143 60 L HN 0.665 nan 8.230 nan 0.000 0.452 61 D N 4.920 125.280 120.400 -0.066 0.000 2.358 61 D HA 0.147 4.793 4.640 0.011 0.000 0.258 61 D C -0.381 175.876 176.300 -0.072 0.000 1.223 61 D CA 0.087 54.057 54.000 -0.049 0.000 0.886 61 D CB 1.384 42.147 40.800 -0.062 0.000 1.120 61 D HN 0.678 nan 8.370 nan 0.000 0.482 62 A N 3.189 125.990 122.820 -0.033 0.000 3.154 62 A HA 0.204 4.531 4.320 0.011 0.000 0.310 62 A C 0.970 178.467 177.584 -0.145 0.000 1.093 62 A CA -0.463 51.545 52.037 -0.048 0.000 1.006 62 A CB -0.084 18.982 19.000 0.109 0.000 1.084 62 A HN 0.550 nan 8.150 nan 0.000 0.549 63 T N -3.188 111.262 114.554 -0.174 0.000 3.023 63 T HA 0.262 4.619 4.350 0.011 0.000 0.253 63 T C 0.664 175.206 174.700 -0.264 0.000 1.038 63 T CA 0.756 62.724 62.100 -0.221 0.000 0.962 63 T CB -0.185 68.586 68.868 -0.162 0.000 1.018 63 T HN 0.727 nan 8.240 nan 0.000 0.521 64 T N -0.437 113.960 114.554 -0.260 0.000 2.909 64 T HA 0.694 5.051 4.350 0.011 0.000 0.299 64 T C -0.732 173.809 174.700 -0.265 0.000 1.073 64 T CA -0.883 61.059 62.100 -0.263 0.000 0.999 64 T CB 1.057 69.837 68.868 -0.148 0.000 1.098 64 T HN -0.001 nan 8.240 nan 0.000 0.477 65 F N 2.030 121.911 119.950 -0.115 0.000 2.553 65 F HA 0.304 4.838 4.527 0.011 0.000 0.356 65 F C 1.463 177.162 175.800 -0.169 0.000 1.142 65 F CA -0.024 57.908 58.000 -0.113 0.000 1.322 65 F CB 0.432 39.396 39.000 -0.060 0.000 1.126 65 F HN 0.493 nan 8.300 nan 0.000 0.599 66 Q N 1.229 121.029 119.800 0.000 0.000 2.199 66 Q HA 0.241 4.588 4.340 0.011 0.000 0.205 66 Q C -0.269 175.654 176.000 -0.128 0.000 1.001 66 Q CA -0.895 54.761 55.803 -0.245 0.000 1.019 66 Q CB 0.694 28.969 28.738 -0.772 0.000 1.132 66 Q HN 0.518 nan 8.270 nan 0.000 0.530 67 N N -0.041 118.563 118.700 -0.160 0.000 2.345 67 N HA -0.022 4.724 4.740 0.011 0.000 0.243 67 N C -0.461 175.038 175.510 -0.018 0.000 1.246 67 N CA 0.229 53.238 53.050 -0.068 0.000 0.863 67 N CB 0.326 38.791 38.487 -0.038 0.000 1.096 67 N HN 0.179 nan 8.380 nan 0.000 0.446 68 V N 1.672 121.551 119.914 -0.057 0.000 2.607 68 V HA 0.086 4.212 4.120 0.011 0.000 0.289 68 V C 0.588 176.645 176.094 -0.062 0.000 1.053 68 V CA -0.834 61.422 62.300 -0.073 0.000 0.996 68 V CB 1.271 33.011 31.823 -0.139 0.000 0.995 68 V HN 0.720 nan 8.190 nan 0.000 0.476 69 c N 4.320 122.900 118.600 -0.035 0.000 2.634 69 c HA 0.113 4.690 4.570 0.011 0.000 0.418 69 c C 0.497 174.562 174.090 -0.041 0.000 1.373 69 c CA -0.597 55.721 56.329 -0.018 0.000 1.756 69 c CB -1.231 41.298 42.510 0.032 0.000 2.589 69 c HN 0.749 nan 8.230 nan 0.000 0.602 70 Y N 4.278 124.464 120.300 -0.191 0.000 2.881 70 Y HA 0.118 4.675 4.550 0.011 0.000 0.335 70 Y C 0.891 176.845 175.900 0.089 0.000 1.263 70 Y CA 1.222 59.214 58.100 -0.181 0.000 1.572 70 Y CB 0.161 38.285 38.460 -0.561 0.000 1.237 70 Y HN 0.747 nan 8.280 nan 0.000 0.568 71 Q N 4.137 123.955 119.800 0.029 0.000 2.633 71 Q HA 0.212 4.558 4.340 0.011 0.000 0.289 71 Q C -1.863 174.284 176.000 0.245 0.000 0.940 71 Q CA -1.234 54.721 55.803 0.254 0.000 0.785 71 Q CB 1.260 30.095 28.738 0.161 0.000 1.467 71 Q HN 0.656 nan 8.270 nan 0.000 0.401 72 Y N 1.126 121.617 120.300 0.317 0.000 2.526 72 Y HA 0.358 4.915 4.550 0.011 0.000 0.330 72 Y C -0.955 175.095 175.900 0.251 0.000 1.156 72 Y CA 0.055 58.355 58.100 0.334 0.000 1.419 72 Y CB 0.951 39.732 38.460 0.534 0.000 1.250 72 Y HN 0.437 nan 8.280 nan 0.000 0.540 73 V N 7.179 126.774 119.914 -0.531 0.000 2.370 73 V HA 0.079 4.205 4.120 0.011 0.000 0.279 73 V C -0.275 175.455 176.094 -0.606 0.000 1.029 73 V CA -0.916 61.144 62.300 -0.399 0.000 0.870 73 V CB 1.154 32.825 31.823 -0.254 0.000 0.984 73 V HN 0.761 nan 8.190 nan 0.000 0.451 74 D N 4.023 124.295 120.400 -0.214 0.000 2.434 74 D HA 0.054 4.701 4.640 0.011 0.000 0.252 74 D C 0.927 177.230 176.300 0.005 0.000 1.185 74 D CA 0.373 54.380 54.000 0.011 0.000 0.886 74 D CB 1.412 42.373 40.800 0.268 0.000 1.148 74 D HN 0.730 nan 8.370 nan 0.000 0.483 75 T N 1.335 115.901 114.554 0.020 0.000 3.288 75 T HA 0.045 4.402 4.350 0.011 0.000 0.293 75 T C 1.605 176.302 174.700 -0.004 0.000 1.008 75 T CA -0.488 61.620 62.100 0.013 0.000 0.929 75 T CB -0.105 68.751 68.868 -0.019 0.000 1.152 75 T HN 0.229 nan 8.240 nan 0.000 0.517 76 L N 0.749 121.954 121.223 -0.030 0.000 2.079 76 L HA 0.129 4.476 4.340 0.011 0.000 0.210 76 L C -0.262 176.317 176.870 -0.485 0.000 1.081 76 L CA 1.684 56.333 54.840 -0.319 0.000 0.752 76 L CB -0.372 41.372 42.059 -0.525 0.000 0.896 76 L HN 0.467 nan 8.230 nan 0.000 0.433 77 Y N -0.090 120.224 120.300 0.023 0.000 2.535 77 Y HA 0.393 4.950 4.550 0.011 0.000 0.351 77 Y C -2.219 173.712 175.900 0.051 0.000 1.050 77 Y CA -3.433 54.664 58.100 -0.005 0.000 1.168 77 Y CB -0.282 38.137 38.460 -0.068 0.000 1.116 77 Y HN 0.064 nan 8.280 nan 0.000 0.654 78 P HA 0.118 nan 4.420 nan 0.000 0.267 78 P C 1.101 178.457 177.300 0.094 0.000 1.200 78 P CA 1.491 64.644 63.100 0.090 0.000 0.772 78 P CB 1.250 32.974 31.700 0.041 0.000 0.855 79 G N 1.671 110.506 108.800 0.059 0.000 2.267 79 G HA2 -0.299 3.668 3.960 0.011 0.000 0.257 79 G HA3 -0.299 3.668 3.960 0.011 0.000 0.257 79 G C -0.093 174.838 174.900 0.052 0.000 0.998 79 G CA 0.035 45.155 45.100 0.034 0.000 0.620 79 G HN 0.589 nan 8.290 nan 0.000 0.529 80 F N 2.247 122.144 119.950 -0.089 0.000 2.445 80 F HA 0.650 5.184 4.527 0.011 0.000 0.359 80 F C 1.304 176.988 175.800 -0.193 0.000 1.101 80 F CA -0.587 57.310 58.000 -0.171 0.000 1.177 80 F CB 1.387 40.252 39.000 -0.225 0.000 1.110 80 F HN 0.071 nan 8.300 nan 0.000 0.522 81 E N 3.977 123.730 120.200 -0.745 0.000 2.160 81 E HA -0.095 4.262 4.350 0.011 0.000 0.195 81 E C 2.242 178.289 176.600 -0.923 0.000 0.991 81 E CA 1.801 57.781 56.400 -0.699 0.000 0.810 81 E CB -0.531 28.864 29.700 -0.509 0.000 0.742 81 E HN 0.904 nan 8.360 nan 0.000 0.466 82 G N -0.975 106.672 108.800 -1.923 0.000 2.462 82 G HA2 -0.277 3.689 3.960 0.011 0.000 0.220 82 G HA3 -0.277 3.689 3.960 0.011 0.000 0.220 82 G C 1.618 176.392 174.900 -0.210 0.000 1.121 82 G CA 1.688 45.963 45.100 -1.374 0.000 0.758 82 G HN 0.487 nan 8.290 nan 0.000 0.559 83 T N -2.448 111.989 114.554 -0.195 0.000 3.018 83 T HA 0.169 4.525 4.350 0.011 0.000 0.246 83 T C 1.875 176.671 174.700 0.161 0.000 1.026 83 T CA 0.543 62.846 62.100 0.339 0.000 1.081 83 T CB 0.158 69.299 68.868 0.456 0.000 0.970 83 T HN 0.098 nan 8.240 nan 0.000 0.475 84 E N 2.537 122.697 120.200 -0.066 0.000 2.106 84 E HA -0.075 4.281 4.350 0.011 0.000 0.192 84 E C 2.260 178.731 176.600 -0.215 0.000 0.984 84 E CA 1.344 57.677 56.400 -0.112 0.000 0.806 84 E CB -0.516 29.095 29.700 -0.148 0.000 0.750 84 E HN 0.773 nan 8.360 nan 0.000 0.458 85 M N -2.054 117.321 119.600 -0.376 0.000 2.530 85 M HA -0.084 4.403 4.480 0.011 0.000 0.261 85 M C 1.080 176.942 176.300 -0.730 0.000 1.067 85 M CA 1.394 56.329 55.300 -0.608 0.000 1.071 85 M CB -0.540 31.581 32.600 -0.799 0.000 1.405 85 M HN 0.012 nan 8.290 nan 0.000 0.478 86 W N 0.620 121.823 121.300 -0.160 0.000 3.107 86 W HA 0.306 4.972 4.660 0.011 0.000 0.293 86 W C 0.319 176.737 176.519 -0.168 0.000 1.239 86 W CA -0.899 56.341 57.345 -0.175 0.000 1.653 86 W CB -0.117 29.280 29.460 -0.104 0.000 1.068 86 W HN 0.093 nan 8.180 nan 0.000 0.615 87 N N 1.729 120.430 118.700 0.002 0.000 2.503 87 N HA 0.145 4.892 4.740 0.011 0.000 0.267 87 N C -2.444 172.990 175.510 -0.127 0.000 1.214 87 N CA -1.574 51.448 53.050 -0.047 0.000 0.959 87 N CB -0.076 38.381 38.487 -0.049 0.000 1.142 87 N HN -0.330 nan 8.380 nan 0.000 0.455 88 P HA 0.039 nan 4.420 nan 0.000 0.262 88 P C 0.172 177.373 177.300 -0.165 0.000 1.182 88 P CA 0.034 63.031 63.100 -0.171 0.000 0.761 88 P CB 0.274 31.872 31.700 -0.169 0.000 0.795 89 N N 2.435 121.025 118.700 -0.183 0.000 2.238 89 N HA 0.087 4.834 4.740 0.011 0.000 0.222 89 N C 0.113 175.548 175.510 -0.125 0.000 1.133 89 N CA -0.027 52.927 53.050 -0.160 0.000 0.854 89 N CB 0.324 38.697 38.487 -0.190 0.000 1.041 89 N HN 0.177 nan 8.380 nan 0.000 0.510 90 R N 0.256 120.681 120.500 -0.124 0.000 2.799 90 R HA 0.320 4.667 4.340 0.011 0.000 0.270 90 R C -0.621 175.616 176.300 -0.105 0.000 1.010 90 R CA -0.588 55.454 56.100 -0.095 0.000 0.916 90 R CB 1.449 31.700 30.300 -0.083 0.000 1.228 90 R HN 0.207 nan 8.270 nan 0.000 0.469 91 E N 1.329 121.476 120.200 -0.088 0.000 2.413 91 E HA 0.093 4.450 4.350 0.011 0.000 0.263 91 E C -0.112 176.422 176.600 -0.109 0.000 1.015 91 E CA 0.070 56.415 56.400 -0.091 0.000 0.916 91 E CB 0.566 30.228 29.700 -0.064 0.000 0.947 91 E HN 0.201 nan 8.360 nan 0.000 0.440 92 L N 2.139 123.269 121.223 -0.155 0.000 2.397 92 L HA 0.291 4.638 4.340 0.011 0.000 0.271 92 L C 0.382 177.224 176.870 -0.046 0.000 1.148 92 L CA 0.027 54.737 54.840 -0.217 0.000 0.825 92 L CB 0.849 42.562 42.059 -0.578 0.000 1.117 92 L HN 0.434 nan 8.230 nan 0.000 0.456 93 S N 0.702 116.410 115.700 0.014 0.000 2.552 93 S HA 0.193 4.670 4.470 0.011 0.000 0.272 93 S C 0.128 174.728 174.600 -0.000 0.000 1.150 93 S CA -0.678 57.565 58.200 0.072 0.000 0.849 93 S CB 1.606 64.818 63.200 0.020 0.000 1.113 93 S HN 0.742 nan 8.310 nan 0.000 0.458 94 E N 0.753 120.898 120.200 -0.091 0.000 2.285 94 E HA -0.034 4.323 4.350 0.011 0.000 0.194 94 E C -0.378 176.152 176.600 -0.116 0.000 0.997 94 E CA 0.410 56.683 56.400 -0.212 0.000 0.845 94 E CB 0.107 29.622 29.700 -0.309 0.000 0.782 94 E HN 0.527 nan 8.360 nan 0.000 0.491 95 D N 0.395 120.765 120.400 -0.050 0.000 2.453 95 D HA 0.003 4.649 4.640 0.011 0.000 0.223 95 D C 0.036 176.406 176.300 0.116 0.000 1.183 95 D CA -0.262 53.740 54.000 0.004 0.000 0.933 95 D CB 0.074 40.893 40.800 0.031 0.000 1.038 95 D HN 0.144 nan 8.370 nan 0.000 0.513 96 c N 2.463 121.101 118.600 0.064 0.000 3.935 96 c HA 0.361 4.938 4.570 0.011 0.000 0.301 96 c C 0.579 174.719 174.090 0.084 0.000 1.874 96 c CA -0.636 55.796 56.329 0.172 0.000 1.723 96 c CB -1.240 41.311 42.510 0.069 0.000 3.192 96 c HN 0.425 nan 8.230 nan 0.000 0.577 97 L N 2.590 123.606 121.223 -0.345 0.000 2.395 97 L HA 0.403 4.750 4.340 0.011 0.000 0.268 97 L C -0.914 175.357 176.870 -0.998 0.000 1.223 97 L CA 0.443 54.893 54.840 -0.651 0.000 1.093 97 L CB -0.642 40.888 42.059 -0.882 0.000 1.349 97 L HN 0.384 nan 8.230 nan 0.000 0.427 98 Y N 1.846 122.119 120.300 -0.043 0.000 2.536 98 Y HA 0.637 5.193 4.550 0.011 0.000 0.347 98 Y C -0.021 176.067 175.900 0.314 0.000 1.000 98 Y CA -1.250 56.901 58.100 0.085 0.000 1.051 98 Y CB 1.949 40.420 38.460 0.018 0.000 1.259 98 Y HN 0.196 nan 8.280 nan 0.000 0.468 99 L N -0.218 121.199 121.223 0.323 0.000 2.256 99 L HA 0.769 5.115 4.340 0.011 0.000 0.261 99 L C -1.185 175.695 176.870 0.017 0.000 1.022 99 L CA -1.285 53.617 54.840 0.104 0.000 0.828 99 L CB 1.490 43.415 42.059 -0.223 0.000 1.374 99 L HN 0.497 nan 8.230 nan 0.000 0.436 100 N N -0.245 118.454 118.700 -0.002 0.000 2.260 100 N HA 0.660 5.406 4.740 0.011 0.000 0.293 100 N C -1.615 173.787 175.510 -0.180 0.000 1.058 100 N CA -0.385 52.587 53.050 -0.129 0.000 0.824 100 N CB 2.893 41.324 38.487 -0.093 0.000 1.551 100 N HN 0.480 nan 8.380 nan 0.000 0.475 101 V N 1.541 121.276 119.914 -0.298 0.000 2.487 101 V HA 0.486 4.613 4.120 0.011 0.000 0.298 101 V C -0.678 175.341 176.094 -0.126 0.000 1.028 101 V CA -0.748 61.464 62.300 -0.146 0.000 0.860 101 V CB 2.106 33.702 31.823 -0.379 0.000 0.991 101 V HN 0.549 nan 8.190 nan 0.000 0.427 102 W N 2.904 124.302 121.300 0.163 0.000 2.573 102 W HA 0.693 5.361 4.660 0.012 0.000 0.326 102 W C 0.157 176.790 176.519 0.190 0.000 1.049 102 W CA -0.440 57.008 57.345 0.173 0.000 1.220 102 W CB 2.435 31.976 29.460 0.134 0.000 1.373 102 W HN 0.660 nan 8.180 nan 0.000 0.507 103 T N 0.094 114.906 114.554 0.429 0.000 2.864 103 T HA 0.507 4.863 4.350 0.011 0.000 0.299 103 T C -2.869 172.007 174.700 0.295 0.000 1.166 103 T CA -2.384 59.921 62.100 0.342 0.000 1.007 103 T CB 2.263 71.352 68.868 0.368 0.000 1.219 103 T HN -0.097 nan 8.240 nan 0.000 0.506 104 P HA 0.181 nan 4.420 nan 0.000 0.269 104 P C -1.543 175.901 177.300 0.241 0.000 1.217 104 P CA -0.097 63.125 63.100 0.203 0.000 0.783 104 P CB 0.073 31.861 31.700 0.147 0.000 0.898 105 Y N 2.998 123.356 120.300 0.097 0.000 2.326 105 Y HA 0.401 4.957 4.550 0.011 0.000 0.331 105 Y C -2.115 173.822 175.900 0.061 0.000 0.962 105 Y CA -2.573 55.576 58.100 0.082 0.000 1.167 105 Y CB 1.041 39.537 38.460 0.060 0.000 1.148 105 Y HN 0.337 nan 8.280 nan 0.000 0.463 106 P HA 0.130 nan 4.420 nan 0.000 0.271 106 P C -0.895 176.369 177.300 -0.060 0.000 1.233 106 P CA -0.184 62.745 63.100 -0.286 0.000 0.789 106 P CB 0.964 32.546 31.700 -0.196 0.000 0.951 107 R N 1.606 122.083 120.500 -0.037 0.000 2.623 107 R HA 0.148 4.494 4.340 0.011 0.000 0.271 107 R C -1.660 174.666 176.300 0.044 0.000 1.043 107 R CA -1.103 55.034 56.100 0.062 0.000 1.083 107 R CB -0.751 29.596 30.300 0.078 0.000 0.974 107 R HN 0.465 nan 8.270 nan 0.000 0.436 108 P HA -0.085 nan 4.420 nan 0.000 0.266 108 P C -0.029 177.290 177.300 0.031 0.000 1.193 108 P CA 0.242 63.373 63.100 0.053 0.000 0.770 108 P CB 0.702 32.443 31.700 0.067 0.000 0.836 109 A N 2.863 125.696 122.820 0.021 0.000 1.933 109 A HA -0.044 4.283 4.320 0.011 0.000 0.218 109 A C 1.155 178.744 177.584 0.009 0.000 1.175 109 A CA 1.774 53.817 52.037 0.009 0.000 0.628 109 A CB -0.711 18.293 19.000 0.007 0.000 0.814 109 A HN 0.724 nan 8.150 nan 0.000 0.444 110 S N -1.172 114.537 115.700 0.015 0.000 2.570 110 S HA 0.612 5.089 4.470 0.011 0.000 0.286 110 S C -3.268 171.344 174.600 0.019 0.000 1.099 110 S CA -1.788 56.419 58.200 0.011 0.000 0.913 110 S CB 1.614 64.817 63.200 0.007 0.000 1.085 110 S HN 0.031 nan 8.310 nan 0.000 0.480 111 P HA 0.064 nan 4.420 nan 0.000 0.257 111 P C -0.558 176.756 177.300 0.023 0.000 1.153 111 P CA 0.549 63.661 63.100 0.020 0.000 0.762 111 P CB -0.266 31.438 31.700 0.006 0.000 0.743 112 T N 5.630 120.209 114.554 0.042 0.000 2.829 112 T HA 0.420 4.777 4.350 0.011 0.000 0.280 112 T C -2.495 172.234 174.700 0.048 0.000 0.999 112 T CA -1.872 60.255 62.100 0.045 0.000 0.983 112 T CB 1.206 70.114 68.868 0.067 0.000 0.968 112 T HN 0.145 nan 8.240 nan 0.000 0.446 113 P HA 0.146 nan 4.420 nan 0.000 0.264 113 P C -0.906 176.431 177.300 0.061 0.000 1.183 113 P CA -0.176 62.939 63.100 0.025 0.000 0.763 113 P CB 0.386 32.082 31.700 -0.005 0.000 0.807 114 V N 5.365 125.331 119.914 0.087 0.000 2.459 114 V HA 0.313 4.439 4.120 0.011 0.000 0.295 114 V C 0.291 176.470 176.094 0.142 0.000 1.029 114 V CA -0.528 61.850 62.300 0.129 0.000 0.874 114 V CB 1.325 33.240 31.823 0.153 0.000 0.985 114 V HN 0.344 nan 8.190 nan 0.000 0.438 115 L N 5.984 127.304 121.223 0.162 0.000 2.282 115 L HA 0.583 4.929 4.340 0.011 0.000 0.288 115 L C -0.528 176.574 176.870 0.388 0.000 1.033 115 L CA -0.189 54.771 54.840 0.200 0.000 0.807 115 L CB 1.454 43.530 42.059 0.029 0.000 1.209 115 L HN 0.481 nan 8.230 nan 0.000 0.423 116 I N 3.147 123.982 120.570 0.442 0.000 2.355 116 I HA 0.224 4.401 4.170 0.011 0.000 0.288 116 I C -0.667 175.760 176.117 0.517 0.000 0.999 116 I CA -0.408 61.132 61.300 0.400 0.000 1.163 116 I CB 1.351 39.467 38.000 0.193 0.000 1.316 116 I HN 0.642 nan 8.210 nan 0.000 0.454 117 W N 8.585 130.014 121.300 0.215 0.000 2.417 117 W HA 0.596 5.262 4.660 0.010 0.000 0.317 117 W C -1.612 174.828 176.519 -0.132 0.000 1.121 117 W CA -0.675 56.573 57.345 -0.161 0.000 1.208 117 W CB 1.289 30.650 29.460 -0.166 0.000 1.253 117 W HN 0.334 nan 8.180 nan 0.000 0.533 118 I N 8.825 128.806 120.570 -0.981 0.000 2.411 118 I HA 0.080 4.257 4.170 0.011 0.000 0.284 118 I C -0.272 175.054 176.117 -1.318 0.000 1.012 118 I CA -1.132 59.636 61.300 -0.886 0.000 1.119 118 I CB 0.808 38.469 38.000 -0.564 0.000 1.261 118 I HN 0.312 nan 8.210 nan 0.000 0.448 119 Y N 4.574 124.385 120.300 -0.815 0.000 2.426 119 Y HA 0.643 5.199 4.550 0.011 0.000 0.344 119 Y C 0.746 176.465 175.900 -0.302 0.000 1.256 119 Y CA -0.785 56.949 58.100 -0.609 0.000 1.451 119 Y CB -0.066 38.287 38.460 -0.178 0.000 1.342 119 Y HN 0.526 nan 8.280 nan 0.000 0.600 120 G N -0.905 107.908 108.800 0.022 0.000 2.568 120 G HA2 0.499 4.466 3.960 0.011 0.000 0.293 120 G HA3 0.499 4.466 3.960 0.011 0.000 0.293 120 G C 0.232 175.106 174.900 -0.044 0.000 1.347 120 G CA -0.920 44.141 45.100 -0.066 0.000 1.039 120 G HN 1.721 nan 8.290 nan 0.000 0.523 121 G N -2.740 105.883 108.800 -0.294 0.000 2.223 121 G HA2 0.414 4.381 3.960 0.011 0.000 0.200 121 G HA3 0.414 4.381 3.960 0.011 0.000 0.200 121 G C 0.999 175.395 174.900 -0.839 0.000 1.061 121 G CA 0.721 45.521 45.100 -0.500 0.000 0.790 121 G HN 2.349 nan 8.290 nan 0.000 0.498 122 G N -0.542 107.760 108.800 -0.830 0.000 2.166 122 G HA2 -0.136 3.830 3.960 0.011 0.000 0.260 122 G HA3 -0.136 3.830 3.960 0.011 0.000 0.260 122 G C 0.900 175.543 174.900 -0.428 0.000 0.986 122 G CA 0.773 45.159 45.100 -1.191 0.000 0.683 122 G HN 1.781 nan 8.290 nan 0.000 0.527 123 F N -3.202 116.638 119.950 -0.183 0.000 2.914 123 F HA -0.303 4.230 4.527 0.011 0.000 0.304 123 F C 1.397 177.290 175.800 0.154 0.000 0.712 123 F CA 2.144 60.135 58.000 -0.016 0.000 1.211 123 F CB -2.093 36.731 39.000 -0.294 0.000 1.515 123 F HN 0.935 nan 8.300 nan 0.000 0.350 124 Y N -1.314 119.070 120.300 0.139 0.000 2.471 124 Y HA 0.660 5.217 4.550 0.011 0.000 0.249 124 Y C 0.562 176.581 175.900 0.198 0.000 1.116 124 Y CA 0.253 58.463 58.100 0.184 0.000 1.240 124 Y CB 0.044 38.558 38.460 0.089 0.000 1.251 124 Y HN 0.095 nan 8.280 nan 0.000 0.527 125 S N -0.762 114.738 115.700 -0.332 0.000 2.672 125 S HA 0.892 5.369 4.470 0.011 0.000 0.271 125 S C -0.213 174.249 174.600 -0.229 0.000 1.171 125 S CA -0.465 57.587 58.200 -0.245 0.000 0.817 125 S CB 1.540 64.535 63.200 -0.341 0.000 1.150 125 S HN 1.363 nan 8.310 nan 0.000 0.478 126 G N -0.633 107.989 108.800 -0.298 0.000 2.381 126 G HA2 0.565 4.532 3.960 0.011 0.000 0.672 126 G HA3 0.565 4.532 3.960 0.011 0.000 0.672 126 G C -0.748 173.508 174.900 -1.074 0.000 1.324 126 G CA -0.202 44.552 45.100 -0.578 0.000 0.975 126 G HN 2.274 nan 8.290 nan 0.000 0.593 127 A N -1.427 120.540 122.820 -1.421 0.000 2.582 127 A HA 0.968 5.295 4.320 0.011 0.000 0.297 127 A C 0.528 177.880 177.584 -0.387 0.000 1.059 127 A CA 0.699 52.215 52.037 -0.868 0.000 0.705 127 A CB 0.852 19.612 19.000 -0.399 0.000 1.279 127 A HN 2.579 nan 8.150 nan 0.000 0.404 128 A N 0.622 123.474 122.820 0.053 0.000 2.206 128 A HA 0.243 4.570 4.320 0.011 0.000 0.211 128 A C 1.747 179.382 177.584 0.085 0.000 1.158 128 A CA 1.839 54.086 52.037 0.350 0.000 0.761 128 A CB -0.539 18.737 19.000 0.459 0.000 0.801 128 A HN 1.841 nan 8.150 nan 0.000 0.473 129 S N -0.433 115.077 115.700 -0.317 0.000 2.575 129 S HA 0.282 4.758 4.470 0.011 0.000 0.215 129 S C 0.517 174.664 174.600 -0.754 0.000 0.966 129 S CA -0.437 57.114 58.200 -1.083 0.000 0.911 129 S CB -0.604 61.959 63.200 -1.062 0.000 0.780 129 S HN 0.390 nan 8.310 nan 0.000 0.514 130 L N 2.591 123.551 121.223 -0.439 0.000 2.525 130 L HA 0.076 4.423 4.340 0.011 0.000 0.278 130 L C 1.229 177.788 176.870 -0.518 0.000 1.218 130 L CA -0.398 54.123 54.840 -0.533 0.000 0.878 130 L CB 0.133 41.729 42.059 -0.771 0.000 1.127 130 L HN 0.076 nan 8.230 nan 0.000 0.492 131 D N 1.644 121.786 120.400 -0.430 0.000 2.157 131 D HA -0.181 4.465 4.640 0.011 0.000 0.191 131 D C 1.984 178.037 176.300 -0.411 0.000 1.004 131 D CA 1.700 55.508 54.000 -0.321 0.000 0.854 131 D CB -0.095 40.536 40.800 -0.280 0.000 0.936 131 D HN 0.567 nan 8.370 nan 0.000 0.446 132 V N -1.585 117.941 119.914 -0.647 0.000 3.186 132 V HA -0.168 3.958 4.120 0.011 0.000 0.270 132 V C 1.024 176.617 176.094 -0.836 0.000 1.149 132 V CA 1.125 63.017 62.300 -0.680 0.000 1.160 132 V CB -1.105 30.251 31.823 -0.778 0.000 0.758 132 V HN 0.099 nan 8.190 nan 0.000 0.516 133 Y N 0.169 119.942 120.300 -0.878 0.000 2.607 133 Y HA 0.464 5.020 4.550 0.011 0.000 0.266 133 Y C 0.715 175.998 175.900 -1.029 0.000 1.178 133 Y CA -2.017 55.178 58.100 -1.508 0.000 1.226 133 Y CB -0.594 37.359 38.460 -0.845 0.000 1.144 133 Y HN 0.305 nan 8.280 nan 0.000 0.528 134 D N 0.348 120.451 120.400 -0.494 0.000 2.371 134 D HA 0.126 4.773 4.640 0.011 0.000 0.256 134 D C 1.450 177.385 176.300 -0.609 0.000 1.193 134 D CA 0.387 54.146 54.000 -0.401 0.000 0.881 134 D CB 1.421 42.148 40.800 -0.122 0.000 1.143 134 D HN 0.402 nan 8.370 nan 0.000 0.473 135 G N 3.945 111.719 108.800 -1.711 0.000 2.813 135 G HA2 -0.182 3.785 3.960 0.011 0.000 0.209 135 G HA3 -0.182 3.785 3.960 0.011 0.000 0.209 135 G C 1.432 175.780 174.900 -0.920 0.000 1.150 135 G CA 0.358 44.649 45.100 -1.348 0.000 0.785 135 G HN 0.646 nan 8.290 nan 0.000 0.535 136 R N -0.483 119.430 120.500 -0.978 0.000 2.127 136 R HA -0.046 4.301 4.340 0.011 0.000 0.238 136 R C 1.751 177.796 176.300 -0.424 0.000 1.134 136 R CA 1.396 57.189 56.100 -0.512 0.000 0.975 136 R CB -0.711 29.298 30.300 -0.486 0.000 0.865 136 R HN 0.323 nan 8.270 nan 0.000 0.447 137 F N 1.416 121.289 119.950 -0.128 0.000 2.163 137 F HA 0.037 4.570 4.527 0.012 0.000 0.297 137 F C 2.301 178.055 175.800 -0.077 0.000 1.094 137 F CA 0.787 58.736 58.000 -0.085 0.000 1.290 137 F CB -0.507 38.434 39.000 -0.097 0.000 1.017 137 F HN -0.122 nan 8.300 nan 0.000 0.483 138 L N -0.160 121.102 121.223 0.065 0.000 2.056 138 L HA -0.177 4.170 4.340 0.011 0.000 0.207 138 L C 2.743 179.630 176.870 0.028 0.000 1.078 138 L CA 1.142 55.984 54.840 0.003 0.000 0.749 138 L CB -0.947 41.068 42.059 -0.074 0.000 0.901 138 L HN 0.174 nan 8.230 nan 0.000 0.433 139 A N -1.003 121.840 122.820 0.038 0.000 1.902 139 A HA -0.243 4.084 4.320 0.011 0.000 0.217 139 A C 2.288 179.925 177.584 0.088 0.000 1.181 139 A CA 1.580 53.679 52.037 0.103 0.000 0.623 139 A CB -0.443 18.672 19.000 0.192 0.000 0.818 139 A HN 0.391 nan 8.150 nan 0.000 0.443 140 Q N -0.293 119.540 119.800 0.056 0.000 2.062 140 Q HA -0.045 4.302 4.340 0.011 0.000 0.196 140 Q C 2.168 178.204 176.000 0.060 0.000 0.967 140 Q CA 1.879 57.718 55.803 0.060 0.000 0.832 140 Q CB -0.181 28.577 28.738 0.033 0.000 0.899 140 Q HN 0.423 nan 8.270 nan 0.000 0.442 141 V N 1.100 121.050 119.914 0.060 0.000 2.535 141 V HA -0.079 4.047 4.120 0.011 0.000 0.246 141 V C 1.724 177.837 176.094 0.032 0.000 1.045 141 V CA 1.342 63.670 62.300 0.047 0.000 1.058 141 V CB -0.089 31.762 31.823 0.045 0.000 0.689 141 V HN 0.204 nan 8.190 nan 0.000 0.461 142 E N -0.210 120.008 120.200 0.030 0.000 2.476 142 E HA 0.197 4.553 4.350 0.011 0.000 0.199 142 E C 1.794 178.414 176.600 0.034 0.000 1.021 142 E CA 0.755 57.168 56.400 0.021 0.000 0.907 142 E CB 0.627 30.330 29.700 0.004 0.000 0.974 142 E HN 0.574 nan 8.360 nan 0.000 0.489 143 G N 1.673 110.504 108.800 0.052 0.000 2.155 143 G HA2 -0.328 3.639 3.960 0.011 0.000 0.257 143 G HA3 -0.328 3.639 3.960 0.011 0.000 0.257 143 G C 0.586 175.531 174.900 0.076 0.000 0.983 143 G CA 0.400 45.540 45.100 0.066 0.000 0.676 143 G HN 0.499 nan 8.290 nan 0.000 0.528 144 A N -0.714 122.149 122.820 0.071 0.000 2.425 144 A HA 0.631 4.958 4.320 0.011 0.000 0.242 144 A C 0.593 178.256 177.584 0.131 0.000 1.077 144 A CA 0.402 52.486 52.037 0.078 0.000 0.781 144 A CB 0.943 19.971 19.000 0.046 0.000 1.020 144 A HN 1.132 nan 8.150 nan 0.000 0.494 145 V N 2.974 122.974 119.914 0.144 0.000 2.383 145 V HA 0.369 4.496 4.120 0.011 0.000 0.275 145 V C -0.071 176.157 176.094 0.224 0.000 1.036 145 V CA -0.105 62.311 62.300 0.195 0.000 0.889 145 V CB 0.864 32.794 31.823 0.179 0.000 0.985 145 V HN 0.716 nan 8.190 nan 0.000 0.459 146 L N 6.238 127.650 121.223 0.314 0.000 2.341 146 L HA 0.744 5.090 4.340 0.011 0.000 0.278 146 L C -0.909 176.249 176.870 0.480 0.000 1.005 146 L CA -0.340 54.737 54.840 0.396 0.000 0.818 146 L CB 1.909 44.205 42.059 0.396 0.000 1.259 146 L HN 0.426 nan 8.230 nan 0.000 0.418 147 V N 2.970 123.138 119.914 0.424 0.000 2.680 147 V HA 0.721 4.848 4.120 0.011 0.000 0.309 147 V C -0.483 175.863 176.094 0.421 0.000 1.052 147 V CA -0.445 62.059 62.300 0.339 0.000 0.908 147 V CB 2.039 33.983 31.823 0.201 0.000 1.001 147 V HN 0.842 nan 8.190 nan 0.000 0.431 148 S N 5.015 120.954 115.700 0.399 0.000 2.540 148 S HA 0.851 5.327 4.470 0.011 0.000 0.275 148 S C -0.923 173.838 174.600 0.267 0.000 1.123 148 S CA -0.828 57.616 58.200 0.408 0.000 0.907 148 S CB 2.222 65.801 63.200 0.632 0.000 1.081 148 S HN 0.898 nan 8.310 nan 0.000 0.476 149 M N 1.589 121.310 119.600 0.200 0.000 2.535 149 M HA 0.637 5.124 4.480 0.011 0.000 0.314 149 M C -1.510 175.006 176.300 0.361 0.000 1.153 149 M CA -0.508 54.903 55.300 0.185 0.000 0.924 149 M CB 1.183 33.723 32.600 -0.099 0.000 1.710 149 M HN 0.570 nan 8.290 nan 0.000 0.451 150 N N 2.826 121.797 118.700 0.451 0.000 2.525 150 N HA 0.509 5.255 4.740 0.011 0.000 0.271 150 N C -1.274 174.502 175.510 0.444 0.000 1.194 150 N CA 0.227 53.547 53.050 0.451 0.000 0.964 150 N CB 0.358 39.045 38.487 0.333 0.000 1.126 150 N HN 0.741 nan 8.380 nan 0.000 0.452 151 Y N -2.261 118.208 120.300 0.282 0.000 2.562 151 Y HA 0.549 5.105 4.550 0.011 0.000 0.345 151 Y C -0.216 175.822 175.900 0.229 0.000 1.045 151 Y CA -1.340 56.882 58.100 0.203 0.000 1.028 151 Y CB 0.930 39.447 38.460 0.096 0.000 1.297 151 Y HN 0.204 nan 8.280 nan 0.000 0.463 152 R N 1.827 122.480 120.500 0.255 0.000 2.590 152 R HA 0.521 4.868 4.340 0.011 0.000 0.274 152 R C -0.319 176.171 176.300 0.317 0.000 1.061 152 R CA -0.270 55.943 56.100 0.188 0.000 1.081 152 R CB 0.981 31.351 30.300 0.116 0.000 0.984 152 R HN 0.711 nan 8.270 nan 0.000 0.448 153 V N -0.480 119.655 119.914 0.369 0.000 3.158 153 V HA 0.872 4.999 4.120 0.011 0.000 0.315 153 V C 0.765 177.192 176.094 0.556 0.000 1.148 153 V CA -0.156 62.477 62.300 0.555 0.000 1.042 153 V CB 1.161 33.203 31.823 0.365 0.000 1.101 153 V HN 0.968 nan 8.190 nan 0.000 0.448 154 G N 1.755 110.908 108.800 0.588 0.000 2.574 154 G HA2 -0.307 3.660 3.960 0.011 0.000 0.282 154 G HA3 -0.307 3.660 3.960 0.011 0.000 0.282 154 G C 1.077 176.072 174.900 0.158 0.000 1.257 154 G CA 1.644 46.974 45.100 0.384 0.000 0.956 154 G HN 2.384 nan 8.290 nan 0.000 0.560 155 T N -1.784 112.557 114.554 -0.353 0.000 2.665 155 T HA -0.145 4.212 4.350 0.011 0.000 0.268 155 T C 2.152 176.685 174.700 -0.278 0.000 1.035 155 T CA 2.772 64.441 62.100 -0.718 0.000 1.151 155 T CB -0.479 67.836 68.868 -0.921 0.000 0.862 155 T HN 0.654 nan 8.240 nan 0.000 0.438 156 F N 2.162 122.151 119.950 0.065 0.000 2.269 156 F HA 0.234 4.768 4.527 0.011 0.000 0.301 156 F C 2.732 178.520 175.800 -0.020 0.000 1.082 156 F CA 0.698 58.691 58.000 -0.011 0.000 1.360 156 F CB -0.934 38.036 39.000 -0.050 0.000 1.041 156 F HN 0.404 nan 8.300 nan 0.000 0.512 157 G N -2.105 106.760 108.800 0.108 0.000 2.656 157 G HA2 0.048 4.014 3.960 0.011 0.000 0.211 157 G HA3 0.048 4.014 3.960 0.011 0.000 0.211 157 G C 0.899 175.291 174.900 -0.846 0.000 1.137 157 G CA 0.205 45.112 45.100 -0.321 0.000 0.802 157 G HN 0.355 nan 8.290 nan 0.000 0.527 158 F N -0.633 119.395 119.950 0.129 0.000 2.915 158 F HA 0.426 4.960 4.527 0.012 0.000 0.347 158 F C 0.459 176.339 175.800 0.133 0.000 1.104 158 F CA -0.920 57.142 58.000 0.104 0.000 1.126 158 F CB 0.346 39.412 39.000 0.110 0.000 1.145 158 F HN -0.082 nan 8.300 nan 0.000 0.541 159 L N 2.186 123.461 121.223 0.087 0.000 2.499 159 L HA 0.526 4.873 4.340 0.011 0.000 0.273 159 L C -0.062 176.786 176.870 -0.037 0.000 1.195 159 L CA 0.090 54.896 54.840 -0.058 0.000 0.882 159 L CB 0.481 42.196 42.059 -0.573 0.000 1.133 159 L HN 0.126 nan 8.230 nan 0.000 0.483 160 A N 6.210 129.048 122.820 0.029 0.000 2.455 160 A HA 0.653 4.980 4.320 0.011 0.000 0.300 160 A C -1.187 176.378 177.584 -0.032 0.000 1.040 160 A CA -0.599 51.431 52.037 -0.011 0.000 0.697 160 A CB 1.338 20.362 19.000 0.041 0.000 1.265 160 A HN 0.699 nan 8.150 nan 0.000 0.407 161 L N 3.058 124.247 121.223 -0.056 0.000 2.387 161 L HA 0.325 4.671 4.340 0.011 0.000 0.259 161 L C -2.465 174.394 176.870 -0.019 0.000 1.050 161 L CA -1.855 52.960 54.840 -0.041 0.000 0.922 161 L CB 1.510 43.532 42.059 -0.062 0.000 1.280 161 L HN 0.406 nan 8.230 nan 0.000 0.449 162 P HA 0.068 nan 4.420 nan 0.000 0.262 162 P C 0.950 178.251 177.300 0.002 0.000 1.182 162 P CA 0.769 63.871 63.100 0.003 0.000 0.761 162 P CB 0.931 32.633 31.700 0.004 0.000 0.795 163 G N 1.778 110.583 108.800 0.008 0.000 2.232 163 G HA2 -0.229 3.738 3.960 0.011 0.000 0.226 163 G HA3 -0.229 3.738 3.960 0.011 0.000 0.226 163 G C 0.424 175.329 174.900 0.008 0.000 0.996 163 G CA 0.231 45.336 45.100 0.008 0.000 0.626 163 G HN 0.795 nan 8.290 nan 0.000 0.509 164 S N -0.421 115.281 115.700 0.004 0.000 2.645 164 S HA 0.678 5.154 4.470 0.011 0.000 0.266 164 S C 1.101 175.709 174.600 0.014 0.000 1.258 164 S CA 0.341 58.544 58.200 0.005 0.000 0.990 164 S CB 2.073 65.269 63.200 -0.006 0.000 0.967 164 S HN 0.399 nan 8.310 nan 0.000 0.556 165 R N -0.219 120.292 120.500 0.018 0.000 2.206 165 R HA 0.115 4.462 4.340 0.011 0.000 0.198 165 R C 1.235 177.556 176.300 0.035 0.000 0.986 165 R CA 0.618 56.734 56.100 0.026 0.000 1.029 165 R CB -0.134 30.182 30.300 0.025 0.000 0.966 165 R HN 0.795 nan 8.270 nan 0.000 0.487 166 E N -0.325 119.895 120.200 0.034 0.000 2.371 166 E HA 0.060 4.417 4.350 0.011 0.000 0.194 166 E C -0.083 176.562 176.600 0.074 0.000 1.012 166 E CA 0.758 57.191 56.400 0.055 0.000 0.860 166 E CB 0.802 30.532 29.700 0.049 0.000 0.811 166 E HN 0.224 nan 8.360 nan 0.000 0.502 167 A N 0.756 123.594 122.820 0.030 0.000 3.422 167 A HA 0.248 4.575 4.320 0.011 0.000 0.271 167 A C -2.167 175.418 177.584 0.001 0.000 1.104 167 A CA -0.875 51.168 52.037 0.011 0.000 0.899 167 A CB 0.407 19.330 19.000 -0.129 0.000 1.309 167 A HN -0.082 nan 8.150 nan 0.000 0.580 168 P HA 0.112 nan 4.420 nan 0.000 0.226 168 P C 0.937 178.252 177.300 0.026 0.000 1.153 168 P CA 1.916 65.033 63.100 0.028 0.000 0.777 168 P CB 0.148 31.873 31.700 0.043 0.000 0.794 169 G N 0.480 109.291 108.800 0.019 0.000 2.707 169 G HA2 -0.170 3.797 3.960 0.011 0.000 0.686 169 G HA3 -0.170 3.797 3.960 0.011 0.000 0.686 169 G C -0.116 174.775 174.900 -0.014 0.000 1.315 169 G CA -0.294 44.817 45.100 0.020 0.000 0.832 169 G HN 0.129 nan 8.290 nan 0.000 0.573 170 N N -2.315 116.364 118.700 -0.036 0.000 2.753 170 N HA -0.284 4.463 4.740 0.011 0.000 0.251 170 N C 1.924 177.277 175.510 -0.261 0.000 1.097 170 N CA 2.377 55.339 53.050 -0.146 0.000 0.786 170 N CB -1.587 36.772 38.487 -0.213 0.000 1.137 170 N HN 1.928 nan 8.380 nan 0.000 0.566 171 V N -2.505 117.259 119.914 -0.251 0.000 2.594 171 V HA -0.026 4.101 4.120 0.011 0.000 0.253 171 V C 2.297 178.251 176.094 -0.233 0.000 1.069 171 V CA 2.333 64.530 62.300 -0.172 0.000 1.082 171 V CB -0.882 30.891 31.823 -0.083 0.000 0.680 171 V HN 0.275 nan 8.190 nan 0.000 0.469 172 G N 0.466 108.922 108.800 -0.573 0.000 2.432 172 G HA2 -0.133 3.834 3.960 0.011 0.000 0.219 172 G HA3 -0.133 3.834 3.960 0.011 0.000 0.219 172 G C 1.534 176.386 174.900 -0.080 0.000 1.135 172 G CA 1.138 46.025 45.100 -0.356 0.000 0.767 172 G HN 0.553 nan 8.290 nan 0.000 0.550 173 L N -0.107 121.010 121.223 -0.177 0.000 2.156 173 L HA 0.081 4.427 4.340 0.011 0.000 0.208 173 L C 2.810 179.684 176.870 0.007 0.000 1.095 173 L CA 0.297 54.998 54.840 -0.230 0.000 0.770 173 L CB -0.321 41.240 42.059 -0.830 0.000 0.914 173 L HN 0.171 nan 8.230 nan 0.000 0.439 174 L N -0.435 120.794 121.223 0.009 0.000 2.083 174 L HA -0.209 4.137 4.340 0.011 0.000 0.209 174 L C 2.255 179.238 176.870 0.189 0.000 1.083 174 L CA 0.986 55.928 54.840 0.170 0.000 0.752 174 L CB -0.686 41.451 42.059 0.129 0.000 0.899 174 L HN 0.298 nan 8.230 nan 0.000 0.433 175 D N 0.066 120.568 120.400 0.171 0.000 2.104 175 D HA -0.222 4.424 4.640 0.011 0.000 0.194 175 D C 2.259 178.725 176.300 0.277 0.000 0.994 175 D CA 1.278 55.464 54.000 0.310 0.000 0.830 175 D CB -0.301 40.699 40.800 0.333 0.000 0.959 175 D HN 0.417 nan 8.370 nan 0.000 0.452 176 Q N 0.103 119.993 119.800 0.151 0.000 2.096 176 Q HA -0.135 4.211 4.340 0.011 0.000 0.204 176 Q C 2.315 178.308 176.000 -0.011 0.000 0.982 176 Q CA 1.020 56.837 55.803 0.024 0.000 0.850 176 Q CB -0.085 28.677 28.738 0.040 0.000 0.901 176 Q HN 0.209 nan 8.270 nan 0.000 0.422 177 R N 0.443 121.026 120.500 0.138 0.000 2.092 177 R HA -0.153 4.194 4.340 0.011 0.000 0.231 177 R C 2.204 178.554 176.300 0.082 0.000 1.119 177 R CA 0.805 56.968 56.100 0.107 0.000 0.970 177 R CB -0.177 30.290 30.300 0.279 0.000 0.864 177 R HN 0.187 nan 8.270 nan 0.000 0.440 178 L N 0.725 122.033 121.223 0.141 0.000 2.042 178 L HA -0.119 4.228 4.340 0.011 0.000 0.210 178 L C 2.242 179.152 176.870 0.066 0.000 1.076 178 L CA 2.193 57.146 54.840 0.189 0.000 0.749 178 L CB -0.747 41.528 42.059 0.360 0.000 0.893 178 L HN 0.247 nan 8.230 nan 0.000 0.432 179 A N -0.851 121.800 122.820 -0.282 0.000 1.933 179 A HA -0.151 4.176 4.320 0.011 0.000 0.218 179 A C 2.235 179.744 177.584 -0.126 0.000 1.175 179 A CA 1.771 53.462 52.037 -0.576 0.000 0.628 179 A CB -0.765 17.651 19.000 -0.974 0.000 0.814 179 A HN 0.496 nan 8.150 nan 0.000 0.444 180 L N -0.985 120.189 121.223 -0.083 0.000 2.046 180 L HA -0.252 4.094 4.340 0.011 0.000 0.208 180 L C 2.839 179.760 176.870 0.085 0.000 1.077 180 L CA 1.650 56.489 54.840 -0.002 0.000 0.747 180 L CB -0.825 41.193 42.059 -0.069 0.000 0.896 180 L HN 0.503 nan 8.230 nan 0.000 0.432 181 Q N -1.074 118.785 119.800 0.098 0.000 2.124 181 Q HA -0.257 4.089 4.340 0.011 0.000 0.202 181 Q C 2.040 178.137 176.000 0.162 0.000 0.977 181 Q CA 1.900 57.773 55.803 0.118 0.000 0.850 181 Q CB -0.250 28.559 28.738 0.118 0.000 0.901 181 Q HN 0.550 nan 8.270 nan 0.000 0.429 182 W N 0.512 121.823 121.300 0.020 0.000 2.355 182 W HA -0.225 4.441 4.660 0.011 0.000 0.309 182 W C 1.882 178.428 176.519 0.045 0.000 1.206 182 W CA 1.318 58.692 57.345 0.048 0.000 1.284 182 W CB -0.106 29.379 29.460 0.042 0.000 1.145 182 W HN -0.160 nan 8.180 nan 0.000 0.502 183 V N 0.960 121.140 119.914 0.444 0.000 2.343 183 V HA -0.348 3.778 4.120 0.011 0.000 0.247 183 V C 2.534 178.687 176.094 0.099 0.000 1.051 183 V CA 2.015 64.497 62.300 0.304 0.000 1.036 183 V CB -1.022 30.961 31.823 0.267 0.000 0.654 183 V HN 0.230 nan 8.190 nan 0.000 0.451 184 Q N -0.143 119.706 119.800 0.080 0.000 2.061 184 Q HA -0.262 4.085 4.340 0.011 0.000 0.204 184 Q C 2.281 178.265 176.000 -0.026 0.000 0.984 184 Q CA 2.158 57.985 55.803 0.040 0.000 0.846 184 Q CB -0.287 28.477 28.738 0.043 0.000 0.902 184 Q HN 0.797 nan 8.270 nan 0.000 0.421 185 E N -0.372 119.776 120.200 -0.086 0.000 2.158 185 E HA -0.081 4.276 4.350 0.011 0.000 0.191 185 E C 1.188 177.638 176.600 -0.250 0.000 0.982 185 E CA 0.724 57.032 56.400 -0.153 0.000 0.823 185 E CB 0.324 29.927 29.700 -0.163 0.000 0.766 185 E HN 0.272 nan 8.360 nan 0.000 0.468 186 N N -0.260 118.201 118.700 -0.398 0.000 2.382 186 N HA -0.014 4.733 4.740 0.011 0.000 0.200 186 N C 1.480 176.895 175.510 -0.159 0.000 1.122 186 N CA 0.042 52.802 53.050 -0.482 0.000 0.870 186 N CB 0.207 37.982 38.487 -1.187 0.000 1.176 186 N HN 0.102 nan 8.380 nan 0.000 0.474 187 I N 2.557 123.102 120.570 -0.041 0.000 2.502 187 I HA -0.175 4.001 4.170 0.011 0.000 0.258 187 I C 2.108 178.339 176.117 0.191 0.000 1.172 187 I CA 0.596 62.004 61.300 0.180 0.000 1.430 187 I CB -0.270 37.826 38.000 0.160 0.000 1.086 187 I HN 0.074 nan 8.210 nan 0.000 0.440 188 A N 0.163 123.024 122.820 0.068 0.000 1.972 188 A HA -0.095 4.231 4.320 0.011 0.000 0.219 188 A C 2.501 180.083 177.584 -0.004 0.000 1.169 188 A CA 1.462 53.520 52.037 0.034 0.000 0.635 188 A CB -1.090 17.905 19.000 -0.008 0.000 0.810 188 A HN 0.470 nan 8.150 nan 0.000 0.446 189 A N -1.462 121.318 122.820 -0.068 0.000 2.084 189 A HA -0.051 4.276 4.320 0.011 0.000 0.221 189 A C 1.590 178.931 177.584 -0.405 0.000 1.161 189 A CA 1.496 53.375 52.037 -0.263 0.000 0.653 189 A CB -0.682 18.073 19.000 -0.408 0.000 0.802 189 A HN 0.527 nan 8.150 nan 0.000 0.457 190 F N -1.730 118.174 119.950 -0.078 0.000 2.695 190 F HA 0.387 4.921 4.527 0.011 0.000 0.303 190 F C 1.751 177.557 175.800 0.011 0.000 1.091 190 F CA 0.543 58.511 58.000 -0.053 0.000 1.300 190 F CB 0.398 39.381 39.000 -0.029 0.000 1.071 190 F HN 0.327 nan 8.300 nan 0.000 0.578 191 G N 0.479 109.358 108.800 0.132 0.000 2.141 191 G HA2 -0.175 3.791 3.960 0.011 0.000 0.242 191 G HA3 -0.175 3.791 3.960 0.011 0.000 0.242 191 G C 0.601 175.570 174.900 0.116 0.000 0.982 191 G CA -0.244 44.916 45.100 0.099 0.000 0.662 191 G HN 0.705 nan 8.290 nan 0.000 0.527 192 G N -0.578 108.312 108.800 0.150 0.000 2.476 192 G HA2 0.479 4.445 3.960 0.011 0.000 0.269 192 G HA3 0.479 4.445 3.960 0.011 0.000 0.269 192 G C -0.686 174.265 174.900 0.085 0.000 1.195 192 G CA 0.250 45.426 45.100 0.127 0.000 0.843 192 G HN 0.233 nan 8.290 nan 0.000 0.545 193 D N 1.330 121.770 120.400 0.068 0.000 2.443 193 D HA 0.291 4.938 4.640 0.011 0.000 0.221 193 D C -1.076 175.258 176.300 0.056 0.000 1.097 193 D CA -2.386 51.638 54.000 0.040 0.000 0.865 193 D CB 1.845 42.650 40.800 0.009 0.000 1.034 193 D HN 0.052 nan 8.370 nan 0.000 0.511 194 P HA -0.110 nan 4.420 nan 0.000 0.225 194 P C 1.173 178.562 177.300 0.149 0.000 1.148 194 P CA 0.700 63.863 63.100 0.104 0.000 0.779 194 P CB 0.157 31.900 31.700 0.072 0.000 0.780 195 M N -1.043 118.583 119.600 0.044 0.000 2.633 195 M HA 0.079 4.566 4.480 0.011 0.000 0.226 195 M C 0.469 176.498 176.300 -0.451 0.000 1.137 195 M CA 0.474 55.725 55.300 -0.083 0.000 1.020 195 M CB -0.040 32.511 32.600 -0.081 0.000 1.675 195 M HN -0.171 nan 8.290 nan 0.000 0.500 196 S N 0.604 116.168 115.700 -0.228 0.000 2.385 196 S HA 0.386 4.863 4.470 0.011 0.000 0.191 196 S C -1.155 173.490 174.600 0.076 0.000 1.196 196 S CA -0.543 57.522 58.200 -0.225 0.000 1.178 196 S CB 0.571 63.675 63.200 -0.161 0.000 1.258 196 S HN -0.013 nan 8.310 nan 0.000 0.430 197 V N 3.922 124.051 119.914 0.358 0.000 2.407 197 V HA 0.538 4.665 4.120 0.011 0.000 0.291 197 V C 0.015 176.305 176.094 0.328 0.000 1.018 197 V CA -0.437 62.059 62.300 0.327 0.000 0.842 197 V CB 1.914 33.941 31.823 0.339 0.000 0.996 197 V HN 0.721 nan 8.190 nan 0.000 0.426 198 T N 6.681 121.371 114.554 0.226 0.000 2.758 198 T HA 0.571 4.927 4.350 0.011 0.000 0.285 198 T C -0.106 174.743 174.700 0.248 0.000 0.981 198 T CA -0.305 61.933 62.100 0.229 0.000 0.965 198 T CB 0.708 69.660 68.868 0.141 0.000 0.927 198 T HN 0.343 nan 8.240 nan 0.000 0.448 199 L N 5.072 126.411 121.223 0.194 0.000 2.371 199 L HA 0.640 4.987 4.340 0.011 0.000 0.272 199 L C -0.125 176.975 176.870 0.383 0.000 1.124 199 L CA -0.651 54.278 54.840 0.147 0.000 0.816 199 L CB 0.233 42.161 42.059 -0.218 0.000 1.129 199 L HN 0.703 nan 8.230 nan 0.000 0.448 200 F N 0.074 120.109 119.950 0.142 0.000 2.613 200 F HA 0.934 5.468 4.527 0.011 0.000 0.310 200 F C -0.247 175.588 175.800 0.058 0.000 1.085 200 F CA -0.711 57.425 58.000 0.228 0.000 0.945 200 F CB 2.232 41.497 39.000 0.442 0.000 1.298 200 F HN 0.507 nan 8.300 nan 0.000 0.455 201 G N 1.330 110.046 108.800 -0.141 0.000 2.601 201 G HA2 0.466 4.433 3.960 0.011 0.000 0.291 201 G HA3 0.466 4.433 3.960 0.011 0.000 0.291 201 G C -2.716 172.008 174.900 -0.292 0.000 1.456 201 G CA -0.709 43.937 45.100 -0.757 0.000 0.804 201 G HN 0.850 nan 8.290 nan 0.000 0.499 202 E N 0.331 120.305 120.200 -0.375 0.000 2.317 202 E HA 0.670 5.027 4.350 0.011 0.000 0.270 202 E C 0.642 177.204 176.600 -0.063 0.000 0.885 202 E CA 0.269 56.656 56.400 -0.022 0.000 0.760 202 E CB 2.255 32.075 29.700 0.199 0.000 1.227 202 E HN 0.933 nan 8.360 nan 0.000 0.434 203 S N 2.246 117.980 115.700 0.055 0.000 4.114 203 S HA -0.389 4.088 4.470 0.011 0.000 0.618 203 S C 1.450 176.168 174.600 0.196 0.000 1.937 203 S CA 2.234 60.541 58.200 0.179 0.000 4.228 203 S CB -1.618 61.644 63.200 0.103 0.000 0.216 203 S HN 1.003 nan 8.310 nan 0.000 0.528 204 A N 1.035 123.845 122.820 -0.016 0.000 2.019 204 A HA 0.170 4.497 4.320 0.011 0.000 0.219 204 A C 2.443 179.813 177.584 -0.357 0.000 1.164 204 A CA 2.352 54.198 52.037 -0.317 0.000 0.644 204 A CB -1.523 16.846 19.000 -1.050 0.000 0.805 204 A HN 1.539 nan 8.150 nan 0.000 0.449 205 G N -0.438 108.186 108.800 -0.294 0.000 2.418 205 G HA2 0.001 3.968 3.960 0.011 0.000 0.217 205 G HA3 0.001 3.968 3.960 0.011 0.000 0.217 205 G C 1.709 176.451 174.900 -0.265 0.000 1.158 205 G CA 1.300 46.167 45.100 -0.388 0.000 0.771 205 G HN 0.767 nan 8.290 nan 0.000 0.545 206 A N 1.014 123.756 122.820 -0.129 0.000 1.930 206 A HA 0.373 4.700 4.320 0.011 0.000 0.217 206 A C 2.769 180.347 177.584 -0.010 0.000 1.175 206 A CA 1.993 54.013 52.037 -0.028 0.000 0.627 206 A CB -0.631 18.410 19.000 0.069 0.000 0.815 206 A HN 0.722 nan 8.150 nan 0.000 0.443 207 A N -0.580 122.255 122.820 0.024 0.000 1.969 207 A HA -0.024 4.303 4.320 0.011 0.000 0.218 207 A C 2.409 179.988 177.584 -0.007 0.000 1.169 207 A CA 1.902 53.941 52.037 0.005 0.000 0.635 207 A CB -0.715 18.296 19.000 0.019 0.000 0.810 207 A HN 0.428 nan 8.150 nan 0.000 0.445 208 S N -0.356 115.324 115.700 -0.033 0.000 2.356 208 S HA -0.135 4.342 4.470 0.011 0.000 0.223 208 S C 1.925 176.423 174.600 -0.169 0.000 1.032 208 S CA 1.426 59.541 58.200 -0.141 0.000 1.005 208 S CB -0.497 62.565 63.200 -0.231 0.000 0.867 208 S HN 0.350 nan 8.310 nan 0.000 0.449 209 V N 1.820 121.685 119.914 -0.083 0.000 2.287 209 V HA -0.208 3.919 4.120 0.011 0.000 0.248 209 V C 2.654 178.747 176.094 -0.001 0.000 1.053 209 V CA 2.034 64.315 62.300 -0.032 0.000 1.027 209 V CB -1.603 30.197 31.823 -0.039 0.000 0.646 209 V HN 0.598 nan 8.190 nan 0.000 0.447 210 G N -0.818 107.976 108.800 -0.010 0.000 2.469 210 G HA2 -0.328 3.639 3.960 0.011 0.000 0.219 210 G HA3 -0.328 3.639 3.960 0.011 0.000 0.219 210 G C 1.614 176.535 174.900 0.036 0.000 1.150 210 G CA 1.388 46.492 45.100 0.007 0.000 0.763 210 G HN 0.470 nan 8.290 nan 0.000 0.561 211 M N -0.326 119.266 119.600 -0.014 0.000 2.319 211 M HA 0.066 4.553 4.480 0.011 0.000 0.265 211 M C 2.234 178.616 176.300 0.137 0.000 1.068 211 M CA 0.702 56.029 55.300 0.045 0.000 1.118 211 M CB -0.109 32.492 32.600 0.001 0.000 1.395 211 M HN 0.198 nan 8.290 nan 0.000 0.435 212 H N -0.132 119.062 119.070 0.207 0.000 2.428 212 H HA 0.012 4.574 4.556 0.011 0.000 0.296 212 H C 2.101 177.643 175.328 0.358 0.000 1.062 212 H CA 1.325 57.513 56.048 0.233 0.000 1.350 212 H CB -0.274 29.513 29.762 0.041 0.000 1.403 212 H HN 0.408 nan 8.280 nan 0.000 0.533 213 I N 0.628 121.470 120.570 0.452 0.000 2.286 213 I HA -0.226 3.951 4.170 0.011 0.000 0.248 213 I C 1.713 178.015 176.117 0.308 0.000 1.115 213 I CA 1.065 62.635 61.300 0.451 0.000 1.392 213 I CB -0.057 38.138 38.000 0.326 0.000 1.065 213 I HN 0.109 nan 8.210 nan 0.000 0.418 214 L N -0.819 120.542 121.223 0.229 0.000 2.592 214 L HA 0.112 4.459 4.340 0.011 0.000 0.227 214 L C 0.834 177.752 176.870 0.080 0.000 1.127 214 L CA 0.038 54.985 54.840 0.177 0.000 0.884 214 L CB 0.037 42.186 42.059 0.150 0.000 1.065 214 L HN -0.000 nan 8.230 nan 0.000 0.457 215 S N -0.226 115.497 115.700 0.038 0.000 2.566 215 S HA 0.310 4.787 4.470 0.011 0.000 0.324 215 S C 0.782 175.312 174.600 -0.117 0.000 1.081 215 S CA -0.595 57.516 58.200 -0.149 0.000 1.105 215 S CB 1.388 64.269 63.200 -0.531 0.000 0.981 215 S HN 0.205 nan 8.310 nan 0.000 0.464 216 L N 6.346 127.501 121.223 -0.113 0.000 2.012 216 L HA 0.001 4.348 4.340 0.011 0.000 0.210 216 L C -0.866 175.951 176.870 -0.087 0.000 1.073 216 L CA 1.657 56.445 54.840 -0.086 0.000 0.748 216 L CB -0.704 41.307 42.059 -0.080 0.000 0.891 216 L HN 0.514 nan 8.230 nan 0.000 0.431 217 P HA -0.139 nan 4.420 nan 0.000 0.216 217 P C 1.664 178.944 177.300 -0.034 0.000 1.150 217 P CA 1.421 64.477 63.100 -0.074 0.000 0.837 217 P CB 0.051 31.698 31.700 -0.088 0.000 0.786 218 S N -0.983 114.711 115.700 -0.009 0.000 2.423 218 S HA -0.070 4.407 4.470 0.011 0.000 0.231 218 S C 1.854 176.539 174.600 0.142 0.000 1.014 218 S CA 0.706 58.989 58.200 0.139 0.000 0.965 218 S CB -0.483 62.913 63.200 0.327 0.000 0.785 218 S HN 0.051 nan 8.310 nan 0.000 0.495 219 R N 1.922 122.418 120.500 -0.007 0.000 2.200 219 R HA 0.007 4.353 4.340 0.011 0.000 0.234 219 R C 1.998 178.080 176.300 -0.362 0.000 1.127 219 R CA 1.153 57.105 56.100 -0.247 0.000 0.989 219 R CB -1.127 29.072 30.300 -0.168 0.000 0.869 219 R HN 0.554 nan 8.270 nan 0.000 0.459 220 S N -0.462 115.121 115.700 -0.196 0.000 2.671 220 S HA 0.152 4.629 4.470 0.011 0.000 0.220 220 S C 1.432 175.933 174.600 -0.165 0.000 0.951 220 S CA -0.069 58.020 58.200 -0.186 0.000 0.932 220 S CB -0.080 63.060 63.200 -0.099 0.000 0.777 220 S HN 0.187 nan 8.310 nan 0.000 0.508 221 L N 0.280 121.425 121.223 -0.128 0.000 2.858 221 L HA 0.512 4.858 4.340 0.011 0.000 0.251 221 L C -0.143 176.782 176.870 0.093 0.000 1.149 221 L CA -0.358 54.492 54.840 0.017 0.000 0.955 221 L CB 0.197 42.319 42.059 0.105 0.000 1.289 221 L HN 0.504 nan 8.230 nan 0.000 0.542 222 F N -4.228 115.545 119.950 -0.295 0.000 2.779 222 F HA 0.466 4.999 4.527 0.010 0.000 0.316 222 F C 0.376 175.856 175.800 -0.533 0.000 1.164 222 F CA -0.997 56.823 58.000 -0.300 0.000 0.924 222 F CB 0.802 39.766 39.000 -0.060 0.000 1.348 222 F HN -0.155 nan 8.300 nan 0.000 0.467 223 H N -0.878 118.265 119.070 0.122 0.000 3.091 223 H HA 0.450 5.013 4.556 0.011 0.000 0.249 223 H C -0.184 175.193 175.328 0.081 0.000 0.985 223 H CA -0.092 55.948 56.048 -0.013 0.000 1.177 223 H CB 1.116 30.867 29.762 -0.019 0.000 1.456 223 H HN 0.394 nan 8.280 nan 0.000 0.467 224 R N 0.341 121.054 120.500 0.355 0.000 2.774 224 R HA 0.714 5.061 4.340 0.011 0.000 0.272 224 R C -1.450 175.120 176.300 0.449 0.000 1.000 224 R CA -0.664 55.614 56.100 0.296 0.000 0.906 224 R CB 2.949 33.231 30.300 -0.029 0.000 1.227 224 R HN 0.140 nan 8.270 nan 0.000 0.468 225 A N 1.262 124.368 122.820 0.476 0.000 2.486 225 A HA 0.663 4.989 4.320 0.011 0.000 0.300 225 A C -1.416 176.331 177.584 0.272 0.000 1.048 225 A CA -0.606 51.637 52.037 0.343 0.000 0.696 225 A CB 1.881 21.055 19.000 0.289 0.000 1.278 225 A HN 0.319 nan 8.150 nan 0.000 0.405 226 V N 2.713 122.756 119.914 0.214 0.000 2.407 226 V HA 0.434 4.561 4.120 0.011 0.000 0.291 226 V C -1.115 175.097 176.094 0.196 0.000 1.018 226 V CA -0.288 62.084 62.300 0.120 0.000 0.842 226 V CB 1.163 33.068 31.823 0.136 0.000 0.996 226 V HN 0.690 nan 8.190 nan 0.000 0.426 227 L N 5.422 126.724 121.223 0.131 0.000 2.277 227 L HA 0.508 4.855 4.340 0.011 0.000 0.284 227 L C 0.173 177.167 176.870 0.206 0.000 1.028 227 L CA 0.085 55.004 54.840 0.132 0.000 0.835 227 L CB 1.313 43.404 42.059 0.053 0.000 1.215 227 L HN 0.618 nan 8.230 nan 0.000 0.425 228 Q N 2.095 122.069 119.800 0.290 0.000 2.331 228 Q HA 0.403 4.750 4.340 0.011 0.000 0.257 228 Q C 0.227 176.369 176.000 0.237 0.000 0.957 228 Q CA -0.484 55.541 55.803 0.370 0.000 0.923 228 Q CB 1.112 30.153 28.738 0.506 0.000 1.212 228 Q HN 0.638 nan 8.270 nan 0.000 0.443 229 S N 1.001 116.826 115.700 0.208 0.000 3.614 229 S HA -0.172 4.305 4.470 0.011 0.000 0.360 229 S C 0.061 174.849 174.600 0.315 0.000 1.023 229 S CA 0.530 58.873 58.200 0.238 0.000 1.114 229 S CB -1.231 62.116 63.200 0.245 0.000 0.907 229 S HN 0.975 nan 8.310 nan 0.000 0.470 230 G N -0.306 108.644 108.800 0.249 0.000 2.702 230 G HA2 0.664 4.631 3.960 0.011 0.000 0.296 230 G HA3 0.664 4.631 3.960 0.011 0.000 0.296 230 G C -0.887 174.101 174.900 0.147 0.000 1.463 230 G CA 0.158 45.458 45.100 0.334 0.000 0.890 230 G HN 0.907 nan 8.290 nan 0.000 0.534 231 T N -1.046 113.544 114.554 0.061 0.000 2.868 231 T HA 0.733 5.090 4.350 0.011 0.000 0.306 231 T C -2.390 172.187 174.700 -0.204 0.000 1.224 231 T CA -1.419 60.634 62.100 -0.077 0.000 1.012 231 T CB 3.040 71.846 68.868 -0.103 0.000 1.221 231 T HN 0.253 nan 8.240 nan 0.000 0.499 232 P HA 0.012 nan 4.420 nan 0.000 0.222 232 P C 0.212 177.365 177.300 -0.245 0.000 1.153 232 P CA 0.588 63.574 63.100 -0.191 0.000 0.798 232 P CB -0.047 31.594 31.700 -0.097 0.000 0.796 233 N N 0.613 119.186 118.700 -0.212 0.000 2.379 233 N HA 0.355 5.102 4.740 0.011 0.000 0.260 233 N C 0.759 176.081 175.510 -0.312 0.000 1.254 233 N CA 0.374 53.297 53.050 -0.211 0.000 0.958 233 N CB 0.254 38.657 38.487 -0.139 0.000 1.208 233 N HN 0.187 nan 8.380 nan 0.000 0.532 234 G N -1.146 107.484 108.800 -0.284 0.000 2.462 234 G HA2 -0.074 3.893 3.960 0.011 0.000 0.685 234 G HA3 -0.074 3.893 3.960 0.011 0.000 0.685 234 G C -2.551 172.123 174.900 -0.377 0.000 1.295 234 G CA -0.315 44.570 45.100 -0.359 0.000 0.941 234 G HN 0.520 nan 8.290 nan 0.000 0.554 235 P HA 0.186 nan 4.420 nan 0.000 0.245 235 P C 1.428 178.665 177.300 -0.105 0.000 1.203 235 P CA 1.549 64.528 63.100 -0.203 0.000 0.792 235 P CB -0.001 31.578 31.700 -0.202 0.000 0.997 236 W N -1.561 119.655 121.300 -0.140 0.000 2.873 236 W HA 0.556 5.222 4.660 0.010 0.000 0.282 236 W C 1.054 177.643 176.519 0.117 0.000 1.118 236 W CA 0.464 57.794 57.345 -0.024 0.000 1.480 236 W CB -0.905 28.570 29.460 0.026 0.000 0.954 236 W HN -0.174 nan 8.180 nan 0.000 0.591 237 A N 1.933 124.319 122.820 -0.723 0.000 2.066 237 A HA 0.093 4.419 4.320 0.011 0.000 0.218 237 A C 1.200 178.609 177.584 -0.291 0.000 1.157 237 A CA 1.972 53.663 52.037 -0.577 0.000 0.670 237 A CB -0.821 17.636 19.000 -0.906 0.000 0.804 237 A HN 0.282 nan 8.150 nan 0.000 0.453 238 T N -3.691 110.717 114.554 -0.244 0.000 2.841 238 T HA 0.604 4.961 4.350 0.011 0.000 0.296 238 T C -0.697 173.925 174.700 -0.131 0.000 1.166 238 T CA -0.109 61.872 62.100 -0.198 0.000 1.007 238 T CB 1.404 70.166 68.868 -0.176 0.000 1.253 238 T HN 0.976 nan 8.240 nan 0.000 0.511 239 V N -1.125 118.722 119.914 -0.111 0.000 3.040 239 V HA 0.914 5.041 4.120 0.011 0.000 0.312 239 V C 0.285 176.340 176.094 -0.064 0.000 1.115 239 V CA -0.732 61.519 62.300 -0.082 0.000 0.998 239 V CB 1.326 33.099 31.823 -0.084 0.000 1.042 239 V HN 1.422 nan 8.190 nan 0.000 0.433 240 S N 1.791 117.459 115.700 -0.052 0.000 2.608 240 S HA 0.599 5.076 4.470 0.011 0.000 0.261 240 S C 1.416 175.997 174.600 -0.031 0.000 1.314 240 S CA 0.111 58.288 58.200 -0.038 0.000 0.992 240 S CB 1.172 64.352 63.200 -0.035 0.000 0.935 240 S HN 1.963 nan 8.310 nan 0.000 0.564 241 A N 1.729 124.537 122.820 -0.020 0.000 1.883 241 A HA 0.109 4.435 4.320 0.011 0.000 0.217 241 A C 2.250 179.823 177.584 -0.017 0.000 1.186 241 A CA 1.798 53.828 52.037 -0.013 0.000 0.624 241 A CB -1.917 17.079 19.000 -0.006 0.000 0.822 241 A HN 1.172 nan 8.150 nan 0.000 0.444 242 G N -0.452 108.336 108.800 -0.020 0.000 2.446 242 G HA2 -0.281 3.685 3.960 0.011 0.000 0.217 242 G HA3 -0.281 3.685 3.960 0.011 0.000 0.217 242 G C 1.489 176.371 174.900 -0.029 0.000 1.168 242 G CA 1.486 46.573 45.100 -0.022 0.000 0.771 242 G HN 0.589 nan 8.290 nan 0.000 0.551 243 E N 0.940 121.118 120.200 -0.037 0.000 2.107 243 E HA 0.124 4.480 4.350 0.011 0.000 0.191 243 E C 2.647 179.208 176.600 -0.065 0.000 0.982 243 E CA 1.329 57.698 56.400 -0.052 0.000 0.809 243 E CB -0.567 29.098 29.700 -0.058 0.000 0.756 243 E HN 0.272 nan 8.360 nan 0.000 0.459 244 A N 1.077 123.866 122.820 -0.052 0.000 1.908 244 A HA -0.216 4.111 4.320 0.011 0.000 0.218 244 A C 2.305 179.882 177.584 -0.012 0.000 1.181 244 A CA 1.860 53.876 52.037 -0.035 0.000 0.627 244 A CB -0.654 18.344 19.000 -0.002 0.000 0.818 244 A HN 0.295 nan 8.150 nan 0.000 0.445 245 R N -0.581 119.910 120.500 -0.015 0.000 2.073 245 R HA -0.130 4.217 4.340 0.011 0.000 0.234 245 R C 2.446 178.737 176.300 -0.015 0.000 1.134 245 R CA 1.571 57.664 56.100 -0.012 0.000 0.952 245 R CB -0.344 29.947 30.300 -0.015 0.000 0.850 245 R HN 0.524 nan 8.270 nan 0.000 0.433 246 R N 0.383 120.868 120.500 -0.025 0.000 2.083 246 R HA -0.153 4.193 4.340 0.011 0.000 0.237 246 R C 2.320 178.605 176.300 -0.026 0.000 1.137 246 R CA 1.976 58.060 56.100 -0.026 0.000 0.951 246 R CB -0.113 30.168 30.300 -0.033 0.000 0.851 246 R HN 0.271 nan 8.270 nan 0.000 0.434 247 R N -0.373 120.093 120.500 -0.056 0.000 2.075 247 R HA -0.063 4.284 4.340 0.011 0.000 0.232 247 R C 2.350 178.687 176.300 0.062 0.000 1.126 247 R CA 1.317 57.363 56.100 -0.090 0.000 0.963 247 R CB -0.322 29.784 30.300 -0.324 0.000 0.858 247 R HN 0.261 nan 8.270 nan 0.000 0.435 248 A N 0.431 123.324 122.820 0.123 0.000 1.933 248 A HA -0.142 4.185 4.320 0.011 0.000 0.218 248 A C 2.112 179.718 177.584 0.037 0.000 1.175 248 A CA 1.888 54.011 52.037 0.144 0.000 0.628 248 A CB -0.683 18.344 19.000 0.045 0.000 0.814 248 A HN 0.282 nan 8.150 nan 0.000 0.444 249 T N -0.133 114.429 114.554 0.013 0.000 2.857 249 T HA -0.072 4.285 4.350 0.011 0.000 0.266 249 T C 1.801 176.504 174.700 0.005 0.000 1.048 249 T CA 1.323 63.420 62.100 -0.006 0.000 1.139 249 T CB -0.277 68.584 68.868 -0.011 0.000 0.874 249 T HN 0.283 nan 8.240 nan 0.000 0.455 250 L N 1.094 122.329 121.223 0.020 0.000 2.056 250 L HA 0.130 4.477 4.340 0.011 0.000 0.207 250 L C 2.154 179.052 176.870 0.046 0.000 1.078 250 L CA 1.347 56.205 54.840 0.029 0.000 0.749 250 L CB -0.783 41.294 42.059 0.030 0.000 0.901 250 L HN 0.185 nan 8.230 nan 0.000 0.433 251 L N -0.315 120.957 121.223 0.081 0.000 2.017 251 L HA -0.105 4.241 4.340 0.011 0.000 0.208 251 L C 2.518 179.388 176.870 -0.001 0.000 1.073 251 L CA 2.009 56.901 54.840 0.085 0.000 0.745 251 L CB -0.856 41.303 42.059 0.167 0.000 0.894 251 L HN 0.257 nan 8.230 nan 0.000 0.432 252 A N -0.264 122.545 122.820 -0.018 0.000 1.892 252 A HA -0.302 4.024 4.320 0.011 0.000 0.218 252 A C 2.532 180.092 177.584 -0.040 0.000 1.188 252 A CA 2.133 54.145 52.037 -0.041 0.000 0.631 252 A CB -0.757 18.216 19.000 -0.046 0.000 0.822 252 A HN 0.536 nan 8.150 nan 0.000 0.447 253 R N -0.504 119.981 120.500 -0.024 0.000 2.073 253 R HA -0.055 4.292 4.340 0.011 0.000 0.234 253 R C 1.988 178.263 176.300 -0.041 0.000 1.134 253 R CA 1.573 57.660 56.100 -0.022 0.000 0.952 253 R CB -0.408 29.888 30.300 -0.007 0.000 0.850 253 R HN 0.545 nan 8.270 nan 0.000 0.433 254 L N 0.751 121.946 121.223 -0.047 0.000 2.265 254 L HA -0.101 4.245 4.340 0.011 0.000 0.215 254 L C 1.953 178.646 176.870 -0.295 0.000 1.117 254 L CA 0.726 55.508 54.840 -0.096 0.000 0.782 254 L CB -0.080 41.980 42.059 0.002 0.000 0.914 254 L HN 0.236 nan 8.230 nan 0.000 0.441 255 V N -4.161 115.598 119.914 -0.259 0.000 3.621 255 V HA 0.494 4.621 4.120 0.011 0.000 0.285 255 V C 1.100 177.130 176.094 -0.108 0.000 1.346 255 V CA 0.296 62.438 62.300 -0.263 0.000 1.104 255 V CB -0.085 31.626 31.823 -0.187 0.000 0.913 255 V HN 0.411 nan 8.190 nan 0.000 0.432 256 G N -0.395 108.359 108.800 -0.076 0.000 2.164 256 G HA2 -0.196 3.770 3.960 0.011 0.000 0.212 256 G HA3 -0.196 3.770 3.960 0.011 0.000 0.212 256 G C -0.118 174.768 174.900 -0.022 0.000 1.031 256 G CA -0.132 44.947 45.100 -0.035 0.000 0.730 256 G HN 0.676 nan 8.290 nan 0.000 0.501 257 c N 1.422 120.006 118.600 -0.026 0.000 2.298 257 c HA 0.694 5.270 4.570 0.011 0.000 0.323 257 c C -1.039 173.041 174.090 -0.016 0.000 1.284 257 c CA -1.300 55.018 56.329 -0.017 0.000 1.577 257 c CB 1.175 43.674 42.510 -0.018 0.000 2.249 257 c HN 0.495 nan 8.230 nan 0.000 0.497 265 N N 1.704 120.400 118.700 -0.007 0.000 2.267 265 N HA 0.103 4.849 4.740 0.011 0.000 0.226 265 N C 0.521 176.025 175.510 -0.011 0.000 1.314 265 N CA 0.774 53.819 53.050 -0.008 0.000 0.887 265 N CB 0.407 38.892 38.487 -0.004 0.000 1.120 265 N HN 0.023 nan 8.380 nan 0.000 0.440 266 D N -0.464 119.929 120.400 -0.012 0.000 2.117 266 D HA -0.122 4.525 4.640 0.011 0.000 0.197 266 D C 1.392 177.683 176.300 -0.014 0.000 0.987 266 D CA 1.722 55.711 54.000 -0.019 0.000 0.829 266 D CB -0.687 40.102 40.800 -0.018 0.000 0.961 266 D HN 0.689 nan 8.370 nan 0.000 0.460 267 T N 1.278 115.830 114.554 -0.003 0.000 2.674 267 T HA -0.139 4.217 4.350 0.011 0.000 0.265 267 T C 1.846 176.550 174.700 0.007 0.000 1.039 267 T CA 1.238 63.342 62.100 0.006 0.000 1.150 267 T CB -0.223 68.651 68.868 0.009 0.000 0.864 267 T HN 0.300 nan 8.240 nan 0.000 0.427 268 E N 0.741 120.943 120.200 0.003 0.000 2.058 268 E HA -0.094 4.263 4.350 0.011 0.000 0.194 268 E C 2.249 178.850 176.600 0.001 0.000 0.997 268 E CA 0.903 57.305 56.400 0.004 0.000 0.801 268 E CB -0.326 29.375 29.700 0.001 0.000 0.746 268 E HN 0.339 nan 8.360 nan 0.000 0.450 269 L N 0.825 122.042 121.223 -0.010 0.000 2.017 269 L HA -0.196 4.151 4.340 0.011 0.000 0.208 269 L C 2.252 179.107 176.870 -0.025 0.000 1.073 269 L CA 1.271 56.097 54.840 -0.022 0.000 0.745 269 L CB -0.060 41.976 42.059 -0.037 0.000 0.894 269 L HN 0.116 nan 8.230 nan 0.000 0.432 270 I N -0.335 120.220 120.570 -0.025 0.000 2.353 270 I HA -0.210 3.966 4.170 0.011 0.000 0.248 270 I C 2.709 178.874 176.117 0.081 0.000 1.119 270 I CA 0.972 62.270 61.300 -0.004 0.000 1.417 270 I CB -0.520 37.476 38.000 -0.006 0.000 1.078 270 I HN 0.286 nan 8.210 nan 0.000 0.421 271 A N -0.281 122.572 122.820 0.055 0.000 1.940 271 A HA -0.300 4.027 4.320 0.011 0.000 0.219 271 A C 2.514 180.132 177.584 0.057 0.000 1.176 271 A CA 2.021 54.093 52.037 0.058 0.000 0.631 271 A CB -1.331 17.690 19.000 0.036 0.000 0.814 271 A HN 0.626 nan 8.150 nan 0.000 0.446 272 c N -0.680 117.944 118.600 0.041 0.000 2.466 272 c HA 0.091 4.668 4.570 0.011 0.000 0.278 272 c C 2.354 176.477 174.090 0.055 0.000 1.288 272 c CA 0.874 57.224 56.329 0.034 0.000 1.722 272 c CB -1.525 40.994 42.510 0.015 0.000 2.017 272 c HN 0.571 nan 8.230 nan 0.000 0.488 273 L N 0.361 121.631 121.223 0.077 0.000 2.651 273 L HA -0.060 4.287 4.340 0.011 0.000 0.236 273 L C 2.640 179.631 176.870 0.201 0.000 1.173 273 L CA 0.962 55.884 54.840 0.137 0.000 0.843 273 L CB -0.530 41.612 42.059 0.137 0.000 0.964 273 L HN 0.420 nan 8.230 nan 0.000 0.454 274 R N -2.077 118.502 120.500 0.132 0.000 2.369 274 R HA 0.058 4.404 4.340 0.011 0.000 0.210 274 R C 1.047 177.359 176.300 0.021 0.000 0.881 274 R CA 0.888 57.043 56.100 0.092 0.000 1.031 274 R CB 0.601 30.968 30.300 0.113 0.000 1.184 274 R HN 0.200 nan 8.270 nan 0.000 0.581 275 T N -0.094 114.472 114.554 0.019 0.000 13.429 275 T HA -0.217 4.139 4.350 0.011 0.000 0.419 275 T C -0.186 174.527 174.700 0.023 0.000 1.442 275 T CA 1.708 63.823 62.100 0.025 0.000 2.357 275 T CB -0.711 68.176 68.868 0.031 0.000 2.797 275 T HN 0.161 nan 8.240 nan 0.000 0.566 276 R N 3.057 123.578 120.500 0.035 0.000 2.441 276 R HA 0.515 4.862 4.340 0.011 0.000 0.284 276 R C -2.613 173.700 176.300 0.021 0.000 1.070 276 R CA -2.420 53.700 56.100 0.033 0.000 1.047 276 R CB -0.666 29.660 30.300 0.043 0.000 1.016 276 R HN 0.397 nan 8.270 nan 0.000 0.477 277 P HA 0.001 nan 4.420 nan 0.000 0.266 277 P C 0.337 177.617 177.300 -0.032 0.000 1.195 277 P CA 0.240 63.329 63.100 -0.017 0.000 0.768 277 P CB 0.579 32.282 31.700 0.006 0.000 0.838 278 A N 3.174 125.897 122.820 -0.162 0.000 1.903 278 A HA -0.304 4.023 4.320 0.011 0.000 0.219 278 A C 2.139 179.643 177.584 -0.133 0.000 1.191 278 A CA 2.114 53.997 52.037 -0.258 0.000 0.638 278 A CB -1.259 17.086 19.000 -1.092 0.000 0.823 278 A HN 0.544 nan 8.150 nan 0.000 0.451 279 Q N -0.125 119.605 119.800 -0.116 0.000 2.224 279 Q HA -0.145 4.202 4.340 0.011 0.000 0.203 279 Q C 1.645 177.763 176.000 0.197 0.000 0.970 279 Q CA 1.761 57.681 55.803 0.195 0.000 0.865 279 Q CB -0.393 28.485 28.738 0.232 0.000 0.922 279 Q HN 0.686 nan 8.270 nan 0.000 0.445 280 D N -0.639 119.850 120.400 0.148 0.000 2.084 280 D HA -0.142 4.504 4.640 0.011 0.000 0.194 280 D C 1.785 178.234 176.300 0.249 0.000 0.990 280 D CA 1.326 55.449 54.000 0.204 0.000 0.826 280 D CB 0.076 40.964 40.800 0.146 0.000 0.971 280 D HN 0.325 nan 8.370 nan 0.000 0.453 281 L N 0.467 121.772 121.223 0.137 0.000 2.042 281 L HA -0.170 4.177 4.340 0.011 0.000 0.210 281 L C 2.715 179.622 176.870 0.062 0.000 1.076 281 L CA 0.678 55.540 54.840 0.037 0.000 0.749 281 L CB -0.645 41.310 42.059 -0.173 0.000 0.893 281 L HN -0.052 nan 8.230 nan 0.000 0.432 282 V N -0.130 119.890 119.914 0.176 0.000 2.295 282 V HA -0.279 3.848 4.120 0.011 0.000 0.246 282 V C 2.102 178.311 176.094 0.191 0.000 1.049 282 V CA 1.904 64.356 62.300 0.253 0.000 1.024 282 V CB -0.540 31.571 31.823 0.479 0.000 0.648 282 V HN 0.423 nan 8.190 nan 0.000 0.447 283 D N -0.871 119.621 120.400 0.154 0.000 2.265 283 D HA -0.153 4.494 4.640 0.011 0.000 0.208 283 D C 1.770 177.879 176.300 -0.319 0.000 0.977 283 D CA 1.462 55.452 54.000 -0.017 0.000 0.871 283 D CB -0.147 40.613 40.800 -0.066 0.000 0.925 283 D HN 0.647 nan 8.370 nan 0.000 0.485 284 H N -1.070 117.964 119.070 -0.061 0.000 2.827 284 H HA 0.134 4.697 4.556 0.011 0.000 0.269 284 H C 1.621 176.839 175.328 -0.184 0.000 1.031 284 H CA 0.105 56.047 56.048 -0.177 0.000 1.202 284 H CB 0.566 30.361 29.762 0.055 0.000 1.511 284 H HN 0.117 nan 8.280 nan 0.000 0.517 285 E N 0.812 120.975 120.200 -0.061 0.000 2.097 285 E HA -0.241 4.116 4.350 0.011 0.000 0.196 285 E C 0.780 177.227 176.600 -0.255 0.000 1.000 285 E CA 1.698 58.031 56.400 -0.111 0.000 0.804 285 E CB -0.139 29.409 29.700 -0.253 0.000 0.740 285 E HN 0.587 nan 8.360 nan 0.000 0.454 286 W N -0.117 121.098 121.300 -0.141 0.000 2.678 286 W HA 0.052 4.718 4.660 0.011 0.000 0.256 286 W C 1.934 178.469 176.519 0.026 0.000 1.280 286 W CA 0.842 58.117 57.345 -0.117 0.000 1.345 286 W CB -0.142 29.195 29.460 -0.204 0.000 1.118 286 W HN 0.272 nan 8.180 nan 0.000 0.629 287 H N -0.439 118.755 119.070 0.206 0.000 2.545 287 H HA -0.084 4.479 4.556 0.011 0.000 0.282 287 H C 2.042 177.428 175.328 0.095 0.000 1.020 287 H CA 1.112 57.252 56.048 0.153 0.000 1.243 287 H CB 0.014 29.882 29.762 0.177 0.000 1.377 287 H HN 0.150 nan 8.280 nan 0.000 0.581 288 V N -1.165 118.845 119.914 0.161 0.000 3.649 288 V HA 0.137 4.264 4.120 0.011 0.000 0.275 288 V C 0.594 176.678 176.094 -0.018 0.000 1.281 288 V CA 0.015 62.345 62.300 0.050 0.000 1.143 288 V CB -0.536 31.282 31.823 -0.008 0.000 0.892 288 V HN 0.126 nan 8.190 nan 0.000 0.441 289 L N 2.404 123.638 121.223 0.019 0.000 2.410 289 L HA 0.262 4.609 4.340 0.011 0.000 0.273 289 L C -0.257 176.618 176.870 0.009 0.000 1.152 289 L CA -1.169 53.671 54.840 0.000 0.000 0.855 289 L CB 0.930 43.021 42.059 0.053 0.000 1.129 289 L HN 0.147 nan 8.230 nan 0.000 0.463 290 P HA -0.134 nan 4.420 nan 0.000 0.215 290 P C -0.123 177.179 177.300 0.004 0.000 1.153 290 P CA 1.302 64.397 63.100 -0.008 0.000 0.853 290 P CB 0.340 32.029 31.700 -0.019 0.000 0.788 291 Q N -1.134 118.670 119.800 0.007 0.000 2.416 291 Q HA 0.351 4.698 4.340 0.011 0.000 0.279 291 Q C -0.376 175.635 176.000 0.019 0.000 1.101 291 Q CA -0.803 55.006 55.803 0.010 0.000 0.830 291 Q CB 1.201 29.941 28.738 0.004 0.000 1.402 291 Q HN -0.000 nan 8.270 nan 0.000 0.445 292 E N 0.870 121.081 120.200 0.018 0.000 2.465 292 E HA 0.249 4.605 4.350 0.011 0.000 0.260 292 E C -0.976 175.631 176.600 0.012 0.000 0.980 292 E CA 0.249 56.660 56.400 0.019 0.000 0.927 292 E CB 0.335 30.045 29.700 0.016 0.000 0.934 292 E HN 0.606 nan 8.360 nan 0.000 0.459 293 S N 2.982 118.688 115.700 0.010 0.000 2.578 293 S HA 0.507 4.983 4.470 0.011 0.000 0.272 293 S C -0.651 173.942 174.600 -0.011 0.000 1.145 293 S CA -1.058 57.141 58.200 -0.001 0.000 0.835 293 S CB 0.448 63.643 63.200 -0.008 0.000 1.104 293 S HN 0.510 nan 8.310 nan 0.000 0.458 294 I N -1.913 118.649 120.570 -0.012 0.000 2.910 294 I HA 0.779 4.956 4.170 0.011 0.000 0.310 294 I C 0.242 176.324 176.117 -0.058 0.000 1.043 294 I CA -1.305 59.988 61.300 -0.012 0.000 1.053 294 I CB 1.083 39.117 38.000 0.057 0.000 1.242 294 I HN 0.930 nan 8.210 nan 0.000 0.452 295 F N 0.977 120.720 119.950 -0.344 0.000 3.093 295 F HA -0.209 4.325 4.527 0.012 0.000 0.287 295 F C -0.109 175.116 175.800 -0.958 0.000 0.882 295 F CA 0.473 58.037 58.000 -0.725 0.000 1.063 295 F CB -0.299 38.224 39.000 -0.795 0.000 1.097 295 F HN 0.561 nan 8.300 nan 0.000 0.604 296 R N 0.468 120.507 120.500 -0.768 0.000 2.628 296 R HA 0.612 4.959 4.340 0.011 0.000 0.288 296 R C -1.107 174.811 176.300 -0.636 0.000 0.980 296 R CA -0.587 55.127 56.100 -0.643 0.000 0.891 296 R CB 1.456 31.642 30.300 -0.190 0.000 1.188 296 R HN 0.018 nan 8.270 nan 0.000 0.450 297 F N -0.709 119.369 119.950 0.213 0.000 2.551 297 F HA 0.351 4.884 4.527 0.010 0.000 0.316 297 F C 1.440 177.195 175.800 -0.075 0.000 1.089 297 F CA -0.909 57.157 58.000 0.110 0.000 0.915 297 F CB 1.842 41.012 39.000 0.283 0.000 1.186 297 F HN 0.356 nan 8.300 nan 0.000 0.456 298 S N 0.733 116.350 115.700 -0.138 0.000 2.368 298 S HA -0.005 4.472 4.470 0.011 0.000 0.224 298 S C -0.009 174.201 174.600 -0.649 0.000 1.029 298 S CA 1.123 59.060 58.200 -0.437 0.000 0.988 298 S CB -0.224 62.639 63.200 -0.562 0.000 0.838 298 S HN 0.371 nan 8.310 nan 0.000 0.462 299 F N 1.643 121.597 119.950 0.006 0.000 2.430 299 F HA 0.525 5.059 4.527 0.011 0.000 0.362 299 F C -0.069 175.732 175.800 0.003 0.000 1.103 299 F CA -1.005 57.025 58.000 0.050 0.000 1.045 299 F CB 1.317 40.372 39.000 0.092 0.000 1.276 299 F HN -0.116 nan 8.300 nan 0.000 0.444 300 V N 0.628 120.512 119.914 -0.051 0.000 3.158 300 V HA 0.772 4.898 4.120 0.011 0.000 0.311 300 V C -2.864 172.896 176.094 -0.556 0.000 1.181 300 V CA -3.364 58.605 62.300 -0.551 0.000 1.054 300 V CB 1.976 33.657 31.823 -0.238 0.000 1.085 300 V HN 0.222 nan 8.190 nan 0.000 0.446 301 P HA 0.179 nan 4.420 nan 0.000 0.266 301 P C -0.734 176.447 177.300 -0.198 0.000 1.193 301 P CA 0.427 63.292 63.100 -0.390 0.000 0.770 301 P CB 0.639 32.036 31.700 -0.505 0.000 0.836 302 V N 4.324 124.192 119.914 -0.076 0.000 2.715 302 V HA 0.285 4.411 4.120 0.011 0.000 0.310 302 V C -0.483 175.597 176.094 -0.023 0.000 1.054 302 V CA -0.908 61.367 62.300 -0.042 0.000 0.928 302 V CB 2.207 34.032 31.823 0.002 0.000 1.007 302 V HN 0.115 nan 8.190 nan 0.000 0.437 303 V N 7.014 126.914 119.914 -0.022 0.000 2.352 303 V HA 0.223 4.349 4.120 0.011 0.000 0.253 303 V C 0.635 176.737 176.094 0.014 0.000 1.083 303 V CA 0.291 62.590 62.300 -0.001 0.000 0.993 303 V CB 0.334 32.148 31.823 -0.015 0.000 1.111 303 V HN 1.067 nan 8.190 nan 0.000 0.490 304 D N 2.706 123.128 120.400 0.037 0.000 2.392 304 D HA 0.139 4.786 4.640 0.011 0.000 0.206 304 D C 1.524 177.848 176.300 0.039 0.000 1.046 304 D CA 0.735 54.760 54.000 0.040 0.000 0.865 304 D CB 0.407 41.243 40.800 0.060 0.000 0.969 304 D HN 0.685 nan 8.370 nan 0.000 0.509 305 G N 0.732 109.557 108.800 0.041 0.000 2.143 305 G HA2 -0.305 3.662 3.960 0.011 0.000 0.249 305 G HA3 -0.305 3.662 3.960 0.011 0.000 0.249 305 G C 0.340 175.263 174.900 0.039 0.000 0.981 305 G CA 0.721 45.840 45.100 0.031 0.000 0.665 305 G HN 0.548 nan 8.290 nan 0.000 0.528 306 D N -1.723 118.716 120.400 0.066 0.000 3.054 306 D HA 0.248 4.895 4.640 0.011 0.000 0.209 306 D C 1.682 178.038 176.300 0.093 0.000 1.527 306 D CA 0.453 54.496 54.000 0.073 0.000 1.427 306 D CB -0.594 40.258 40.800 0.087 0.000 1.059 306 D HN 0.069 nan 8.370 nan 0.000 0.243 307 F N 1.190 121.152 119.950 0.021 0.000 2.095 307 F HA 0.203 4.736 4.527 0.011 0.000 0.298 307 F C 0.516 176.326 175.800 0.016 0.000 1.104 307 F CA 1.192 59.208 58.000 0.026 0.000 1.232 307 F CB 0.136 39.152 39.000 0.026 0.000 0.987 307 F HN -0.018 nan 8.300 nan 0.000 0.475 308 L N 0.747 122.142 121.223 0.286 0.000 2.276 308 L HA 0.210 4.556 4.340 0.011 0.000 0.286 308 L C 1.182 178.096 176.870 0.075 0.000 1.024 308 L CA -0.245 54.687 54.840 0.153 0.000 0.826 308 L CB 1.428 43.567 42.059 0.133 0.000 1.211 308 L HN 0.052 nan 8.230 nan 0.000 0.422 309 S N -0.032 115.691 115.700 0.038 0.000 2.603 309 S HA 0.106 4.583 4.470 0.011 0.000 0.220 309 S C 0.298 174.908 174.600 0.015 0.000 0.967 309 S CA -0.028 58.184 58.200 0.019 0.000 0.920 309 S CB 0.086 63.287 63.200 0.000 0.000 0.773 309 S HN 0.715 nan 8.310 nan 0.000 0.529 310 D N 0.366 120.778 120.400 0.019 0.000 2.738 310 D HA 0.228 4.875 4.640 0.011 0.000 0.308 310 D C -0.923 175.383 176.300 0.009 0.000 1.311 310 D CA -0.024 53.982 54.000 0.010 0.000 0.799 310 D CB 1.292 42.097 40.800 0.007 0.000 1.332 310 D HN 0.201 nan 8.370 nan 0.000 0.441 311 T N -0.754 113.798 114.554 -0.003 0.000 2.932 311 T HA 0.239 4.596 4.350 0.011 0.000 0.312 311 T C -1.786 172.909 174.700 -0.008 0.000 1.071 311 T CA -0.631 61.460 62.100 -0.016 0.000 1.128 311 T CB 1.007 69.858 68.868 -0.028 0.000 0.984 311 T HN 0.090 nan 8.240 nan 0.000 0.549 312 P HA -0.091 nan 4.420 nan 0.000 0.216 312 P C 1.332 178.626 177.300 -0.010 0.000 1.150 312 P CA 1.079 64.169 63.100 -0.016 0.000 0.843 312 P CB 0.073 31.736 31.700 -0.063 0.000 0.787 313 E N -0.459 119.724 120.200 -0.027 0.000 2.051 313 E HA -0.142 4.215 4.350 0.011 0.000 0.192 313 E C 2.158 178.763 176.600 0.010 0.000 0.991 313 E CA 1.617 58.007 56.400 -0.017 0.000 0.799 313 E CB -1.090 28.592 29.700 -0.030 0.000 0.748 313 E HN 0.135 nan 8.360 nan 0.000 0.449 314 A N 0.256 123.081 122.820 0.009 0.000 1.969 314 A HA -0.111 4.216 4.320 0.011 0.000 0.218 314 A C 2.130 179.738 177.584 0.040 0.000 1.169 314 A CA 0.991 53.039 52.037 0.018 0.000 0.635 314 A CB -0.495 18.509 19.000 0.007 0.000 0.810 314 A HN 0.182 nan 8.150 nan 0.000 0.445 315 L N -0.178 121.078 121.223 0.054 0.000 2.131 315 L HA -0.080 4.267 4.340 0.011 0.000 0.206 315 L C 2.536 179.523 176.870 0.194 0.000 1.087 315 L CA 1.340 56.236 54.840 0.094 0.000 0.767 315 L CB -0.538 41.578 42.059 0.095 0.000 0.917 315 L HN 0.652 nan 8.230 nan 0.000 0.441 316 I N -2.759 117.919 120.570 0.179 0.000 2.614 316 I HA -0.144 4.033 4.170 0.011 0.000 0.258 316 I C 1.811 178.068 176.117 0.233 0.000 1.189 316 I CA 1.291 62.731 61.300 0.235 0.000 1.462 316 I CB -0.376 37.641 38.000 0.029 0.000 1.092 316 I HN 0.191 nan 8.210 nan 0.000 0.442 317 N N 1.235 120.014 118.700 0.132 0.000 2.354 317 N HA -0.073 4.674 4.740 0.011 0.000 0.179 317 N C 1.753 177.316 175.510 0.089 0.000 1.021 317 N CA 1.898 55.006 53.050 0.096 0.000 0.887 317 N CB -0.118 38.400 38.487 0.052 0.000 0.974 317 N HN 0.682 nan 8.380 nan 0.000 0.437 318 T N -3.855 110.743 114.554 0.074 0.000 3.040 318 T HA 0.326 4.683 4.350 0.011 0.000 0.266 318 T C 0.884 175.555 174.700 -0.048 0.000 1.005 318 T CA -0.457 61.654 62.100 0.017 0.000 0.906 318 T CB 0.106 68.974 68.868 -0.000 0.000 1.082 318 T HN 0.021 nan 8.240 nan 0.000 0.531 319 G N 0.850 109.607 108.800 -0.073 0.000 2.503 319 G HA2 0.392 4.359 3.960 0.011 0.000 0.257 319 G HA3 0.392 4.359 3.960 0.011 0.000 0.257 319 G C -1.002 173.544 174.900 -0.589 0.000 1.214 319 G CA -0.408 44.408 45.100 -0.472 0.000 0.839 319 G HN 0.348 nan 8.290 nan 0.000 0.559 320 D N 0.953 120.979 120.400 -0.624 0.000 2.280 320 D HA 0.248 4.895 4.640 0.011 0.000 0.236 320 D C -0.570 175.388 176.300 -0.570 0.000 1.082 320 D CA -0.512 53.239 54.000 -0.416 0.000 0.834 320 D CB 0.938 41.612 40.800 -0.211 0.000 1.100 320 D HN 0.127 nan 8.370 nan 0.000 0.486 321 F N 2.352 122.307 119.950 0.008 0.000 2.772 321 F HA 0.199 4.733 4.527 0.012 0.000 0.302 321 F C 2.123 177.932 175.800 0.014 0.000 1.136 321 F CA -0.416 57.592 58.000 0.014 0.000 1.322 321 F CB 0.311 39.328 39.000 0.028 0.000 0.967 321 F HN 0.371 nan 8.300 nan 0.000 0.513 322 Q N 0.285 120.140 119.800 0.091 0.000 2.170 322 Q HA -0.191 4.156 4.340 0.011 0.000 0.203 322 Q C 0.674 176.710 176.000 0.060 0.000 0.976 322 Q CA 1.543 57.386 55.803 0.066 0.000 0.858 322 Q CB 0.028 28.779 28.738 0.022 0.000 0.907 322 Q HN 0.302 nan 8.270 nan 0.000 0.433 323 D N -0.499 119.930 120.400 0.049 0.000 2.325 323 D HA 0.111 4.758 4.640 0.011 0.000 0.234 323 D C -1.094 175.241 176.300 0.057 0.000 1.122 323 D CA 0.146 54.166 54.000 0.035 0.000 0.850 323 D CB 0.342 41.143 40.800 0.002 0.000 0.921 323 D HN 0.018 nan 8.370 nan 0.000 0.513 324 L N 0.780 122.064 121.223 0.103 0.000 2.362 324 L HA 0.411 4.757 4.340 0.011 0.000 0.275 324 L C -1.055 175.902 176.870 0.144 0.000 0.998 324 L CA -0.588 54.333 54.840 0.134 0.000 0.820 324 L CB 1.844 44.023 42.059 0.201 0.000 1.270 324 L HN -0.242 nan 8.230 nan 0.000 0.415 325 Q N 3.576 123.476 119.800 0.168 0.000 2.333 325 Q HA 0.713 5.060 4.340 0.011 0.000 0.265 325 Q C -1.138 175.135 176.000 0.455 0.000 0.989 325 Q CA -0.484 55.475 55.803 0.259 0.000 0.842 325 Q CB 2.256 31.083 28.738 0.147 0.000 1.262 325 Q HN 0.489 nan 8.270 nan 0.000 0.451 326 V N 0.354 120.500 119.914 0.387 0.000 2.735 326 V HA 0.719 4.846 4.120 0.011 0.000 0.310 326 V C -1.224 174.842 176.094 -0.046 0.000 1.061 326 V CA -1.194 61.252 62.300 0.244 0.000 0.913 326 V CB 1.715 33.593 31.823 0.091 0.000 1.005 326 V HN 0.623 nan 8.190 nan 0.000 0.428 327 L N 5.777 126.732 121.223 -0.446 0.000 2.313 327 L HA 0.899 5.246 4.340 0.011 0.000 0.283 327 L C -0.281 176.477 176.870 -0.187 0.000 1.013 327 L CA -0.236 54.275 54.840 -0.550 0.000 0.816 327 L CB 1.509 42.799 42.059 -1.281 0.000 1.236 327 L HN 0.980 nan 8.230 nan 0.000 0.419 328 V N 2.135 122.005 119.914 -0.074 0.000 2.962 328 V HA 1.136 5.262 4.120 0.011 0.000 0.313 328 V C -0.213 175.679 176.094 -0.336 0.000 1.099 328 V CA 0.223 62.466 62.300 -0.095 0.000 0.971 328 V CB 1.260 33.001 31.823 -0.136 0.000 1.028 328 V HN 1.135 nan 8.190 nan 0.000 0.430 329 G N 0.752 109.223 108.800 -0.548 0.000 2.441 329 G HA2 0.740 4.707 3.960 0.011 0.000 0.294 329 G HA3 0.740 4.707 3.960 0.011 0.000 0.294 329 G C -1.220 173.382 174.900 -0.495 0.000 1.393 329 G CA 0.100 44.484 45.100 -1.193 0.000 0.796 329 G HN 2.097 nan 8.290 nan 0.000 0.494 330 V N -2.283 117.477 119.914 -0.257 0.000 3.130 330 V HA 0.922 5.048 4.120 0.011 0.000 0.310 330 V C 0.409 176.725 176.094 0.370 0.000 1.158 330 V CA -0.392 61.984 62.300 0.126 0.000 1.029 330 V CB 1.124 32.994 31.823 0.079 0.000 1.057 330 V HN 1.876 nan 8.190 nan 0.000 0.436 331 V N -0.203 119.938 119.914 0.378 0.000 3.134 331 V HA 0.552 4.678 4.120 0.011 0.000 0.313 331 V C 1.353 177.647 176.094 0.333 0.000 1.069 331 V CA 0.080 62.648 62.300 0.446 0.000 1.048 331 V CB 1.105 33.183 31.823 0.426 0.000 1.119 331 V HN 1.083 nan 8.190 nan 0.000 0.461 332 K N -0.468 120.121 120.400 0.314 0.000 2.155 332 K HA 0.003 4.330 4.320 0.011 0.000 0.203 332 K C 0.287 177.009 176.600 0.203 0.000 1.052 332 K CA 1.450 57.874 56.287 0.229 0.000 0.948 332 K CB 0.135 32.747 32.500 0.186 0.000 0.728 332 K HN 0.895 nan 8.250 nan 0.000 0.448 333 D N 1.237 121.764 120.400 0.213 0.000 2.607 333 D HA 0.032 4.679 4.640 0.011 0.000 0.318 333 D C 0.056 176.481 176.300 0.209 0.000 1.212 333 D CA -0.061 54.050 54.000 0.186 0.000 0.861 333 D CB 1.337 42.227 40.800 0.149 0.000 1.064 333 D HN 0.124 nan 8.370 nan 0.000 0.500 334 E N 0.437 120.771 120.200 0.224 0.000 2.153 334 E HA -0.111 4.246 4.350 0.011 0.000 0.194 334 E C 1.891 178.656 176.600 0.275 0.000 0.988 334 E CA 0.689 57.257 56.400 0.279 0.000 0.811 334 E CB 0.236 30.064 29.700 0.213 0.000 0.746 334 E HN 0.433 nan 8.360 nan 0.000 0.466 335 G N 0.860 109.779 108.800 0.198 0.000 2.662 335 G HA2 -0.141 3.826 3.960 0.011 0.000 0.212 335 G HA3 -0.141 3.826 3.960 0.011 0.000 0.212 335 G C 1.667 176.715 174.900 0.247 0.000 1.141 335 G CA 0.709 45.938 45.100 0.215 0.000 0.797 335 G HN 0.349 nan 8.290 nan 0.000 0.531 336 S N 1.845 117.649 115.700 0.174 0.000 2.368 336 S HA -0.130 4.347 4.470 0.011 0.000 0.226 336 S C 2.602 177.215 174.600 0.022 0.000 1.044 336 S CA 1.904 60.189 58.200 0.142 0.000 1.062 336 S CB -0.778 62.461 63.200 0.066 0.000 0.931 336 S HN 0.606 nan 8.310 nan 0.000 0.440 337 A N 0.496 123.215 122.820 -0.170 0.000 2.019 337 A HA 0.149 4.475 4.320 0.011 0.000 0.219 337 A C 1.889 179.335 177.584 -0.229 0.000 1.164 337 A CA 1.247 53.017 52.037 -0.444 0.000 0.644 337 A CB -1.058 17.459 19.000 -0.804 0.000 0.805 337 A HN 0.600 nan 8.150 nan 0.000 0.449 338 F N 0.038 119.938 119.950 -0.083 0.000 2.365 338 F HA -0.041 4.492 4.527 0.011 0.000 0.300 338 F C 1.916 177.758 175.800 0.070 0.000 1.090 338 F CA 0.892 58.864 58.000 -0.047 0.000 1.408 338 F CB -0.349 38.572 39.000 -0.132 0.000 1.060 338 F HN 0.122 nan 8.300 nan 0.000 0.534 339 L N -0.229 121.090 121.223 0.160 0.000 2.141 339 L HA -0.133 4.214 4.340 0.011 0.000 0.209 339 L C 2.354 179.280 176.870 0.093 0.000 1.094 339 L CA 0.913 55.715 54.840 -0.062 0.000 0.763 339 L CB -0.935 40.822 42.059 -0.504 0.000 0.908 339 L HN 0.152 nan 8.230 nan 0.000 0.437 340 V N -4.678 115.385 119.914 0.248 0.000 3.380 340 V HA -0.159 3.967 4.120 0.011 0.000 0.268 340 V C 1.340 177.451 176.094 0.028 0.000 1.168 340 V CA 0.858 63.305 62.300 0.245 0.000 1.156 340 V CB -1.200 30.836 31.823 0.355 0.000 0.785 340 V HN 0.313 nan 8.190 nan 0.000 0.487 341 Y N 1.675 122.019 120.300 0.074 0.000 2.583 341 Y HA 0.635 5.191 4.550 0.011 0.000 0.294 341 Y C 1.760 177.648 175.900 -0.020 0.000 1.170 341 Y CA 0.391 58.492 58.100 0.002 0.000 1.265 341 Y CB 0.585 39.028 38.460 -0.029 0.000 1.119 341 Y HN 0.428 nan 8.280 nan 0.000 0.522 342 G N -1.517 107.348 108.800 0.109 0.000 3.743 342 G HA2 -0.117 3.850 3.960 0.011 0.000 0.220 342 G HA3 -0.117 3.850 3.960 0.011 0.000 0.220 342 G C -0.633 174.318 174.900 0.086 0.000 0.914 342 G CA -0.438 44.706 45.100 0.075 0.000 0.851 342 G HN -0.059 nan 8.290 nan 0.000 0.573 343 V N 3.417 123.395 119.914 0.106 0.000 2.427 343 V HA 0.394 4.521 4.120 0.011 0.000 0.268 343 V C -1.781 174.490 176.094 0.295 0.000 1.046 343 V CA -1.367 61.028 62.300 0.159 0.000 0.970 343 V CB 0.953 32.805 31.823 0.047 0.000 1.001 343 V HN 0.115 nan 8.190 nan 0.000 0.476 344 P HA 0.305 nan 4.420 nan 0.000 0.269 344 P C 1.022 178.426 177.300 0.174 0.000 1.209 344 P CA 0.998 64.195 63.100 0.162 0.000 0.776 344 P CB 0.765 32.518 31.700 0.088 0.000 0.876 345 G N 0.181 109.011 108.800 0.051 0.000 2.213 345 G HA2 -0.211 3.756 3.960 0.011 0.000 0.226 345 G HA3 -0.211 3.756 3.960 0.011 0.000 0.226 345 G C -0.212 174.502 174.900 -0.310 0.000 0.992 345 G CA -0.540 44.464 45.100 -0.161 0.000 0.632 345 G HN 0.407 nan 8.290 nan 0.000 0.511 346 F N 1.481 121.437 119.950 0.010 0.000 2.443 346 F HA 0.768 5.301 4.527 0.011 0.000 0.335 346 F C 0.553 176.433 175.800 0.133 0.000 1.104 346 F CA -0.025 57.999 58.000 0.041 0.000 1.013 346 F CB 2.347 41.407 39.000 0.101 0.000 1.136 346 F HN 0.275 nan 8.300 nan 0.000 0.470 347 S N 1.905 117.836 115.700 0.385 0.000 2.547 347 S HA 0.269 4.746 4.470 0.011 0.000 0.270 347 S C 0.101 174.983 174.600 0.469 0.000 1.150 347 S CA -0.865 57.559 58.200 0.372 0.000 0.850 347 S CB 1.475 64.802 63.200 0.211 0.000 1.118 347 S HN 0.773 nan 8.310 nan 0.000 0.461 348 K N 0.993 121.584 120.400 0.319 0.000 2.439 348 K HA 0.116 4.443 4.320 0.011 0.000 0.197 348 K C 0.000 176.614 176.600 0.023 0.000 1.041 348 K CA 1.117 57.486 56.287 0.136 0.000 0.970 348 K CB -0.137 32.210 32.500 -0.254 0.000 0.773 348 K HN 0.492 nan 8.250 nan 0.000 0.479 349 D N 1.000 121.407 120.400 0.011 0.000 2.340 349 D HA 0.036 4.683 4.640 0.011 0.000 0.217 349 D C -0.424 175.903 176.300 0.046 0.000 1.081 349 D CA 0.146 54.128 54.000 -0.030 0.000 0.842 349 D CB 0.151 40.908 40.800 -0.071 0.000 0.934 349 D HN 0.497 nan 8.370 nan 0.000 0.511 350 N N -1.256 117.519 118.700 0.125 0.000 3.204 350 N HA 0.087 4.833 4.740 0.011 0.000 0.285 350 N C 0.439 176.026 175.510 0.127 0.000 1.536 350 N CA -0.514 52.586 53.050 0.084 0.000 0.832 350 N CB 0.898 39.389 38.487 0.006 0.000 1.645 350 N HN -0.441 nan 8.380 nan 0.000 0.586 351 E N -0.382 119.808 120.200 -0.018 0.000 2.418 351 E HA 0.007 4.364 4.350 0.011 0.000 0.197 351 E C -0.328 175.904 176.600 -0.613 0.000 1.026 351 E CA 0.644 56.942 56.400 -0.170 0.000 0.862 351 E CB -0.589 29.048 29.700 -0.105 0.000 0.799 351 E HN 0.603 nan 8.360 nan 0.000 0.518 352 S N -0.122 115.280 115.700 -0.497 0.000 3.635 352 S HA -0.193 4.284 4.470 0.011 0.000 0.328 352 S C 0.339 174.514 174.600 -0.708 0.000 1.135 352 S CA 0.155 57.943 58.200 -0.686 0.000 0.942 352 S CB -2.010 60.600 63.200 -0.984 0.000 0.930 352 S HN 0.277 nan 8.310 nan 0.000 0.512 353 L N 1.628 122.578 121.223 -0.455 0.000 2.462 353 L HA 0.405 4.752 4.340 0.011 0.000 0.272 353 L C 0.695 177.357 176.870 -0.347 0.000 1.166 353 L CA 0.156 54.785 54.840 -0.352 0.000 0.880 353 L CB 0.051 41.976 42.059 -0.223 0.000 1.142 353 L HN 0.457 nan 8.230 nan 0.000 0.473 354 I N -0.059 120.310 120.570 -0.334 0.000 2.957 354 I HA 0.694 4.871 4.170 0.011 0.000 0.310 354 I C 0.312 176.347 176.117 -0.137 0.000 1.063 354 I CA -0.652 60.486 61.300 -0.269 0.000 1.033 354 I CB 2.123 39.913 38.000 -0.350 0.000 1.230 354 I HN 0.553 nan 8.210 nan 0.000 0.447 355 S N 2.281 117.937 115.700 -0.074 0.000 2.707 355 S HA 0.431 4.907 4.470 0.011 0.000 0.276 355 S C 0.897 175.526 174.600 0.048 0.000 1.179 355 S CA -0.534 57.653 58.200 -0.022 0.000 0.992 355 S CB 1.569 64.760 63.200 -0.015 0.000 1.030 355 S HN 0.878 nan 8.310 nan 0.000 0.554 356 R N 0.131 120.669 120.500 0.064 0.000 2.120 356 R HA -0.048 4.299 4.340 0.011 0.000 0.234 356 R C 2.280 178.671 176.300 0.151 0.000 1.123 356 R CA 1.467 57.654 56.100 0.145 0.000 0.975 356 R CB -1.082 29.279 30.300 0.102 0.000 0.866 356 R HN 0.812 nan 8.270 nan 0.000 0.446 357 A N 0.630 123.500 122.820 0.083 0.000 1.877 357 A HA -0.225 4.102 4.320 0.011 0.000 0.216 357 A C 2.039 179.666 177.584 0.071 0.000 1.186 357 A CA 1.593 53.666 52.037 0.059 0.000 0.620 357 A CB -0.528 18.493 19.000 0.035 0.000 0.822 357 A HN 0.508 nan 8.150 nan 0.000 0.443 358 Q N -1.844 118.006 119.800 0.083 0.000 2.167 358 Q HA -0.107 4.240 4.340 0.011 0.000 0.202 358 Q C 1.905 178.017 176.000 0.188 0.000 0.970 358 Q CA 1.443 57.305 55.803 0.098 0.000 0.855 358 Q CB -0.277 28.486 28.738 0.042 0.000 0.911 358 Q HN 0.818 nan 8.270 nan 0.000 0.438 359 F N 0.925 120.904 119.950 0.049 0.000 2.113 359 F HA -0.223 4.310 4.527 0.011 0.000 0.297 359 F C 1.943 177.781 175.800 0.062 0.000 1.103 359 F CA 0.617 58.659 58.000 0.071 0.000 1.248 359 F CB 0.023 39.046 39.000 0.038 0.000 0.999 359 F HN 0.083 nan 8.300 nan 0.000 0.475 360 L N 1.129 122.250 121.223 -0.171 0.000 2.083 360 L HA -0.055 4.292 4.340 0.011 0.000 0.209 360 L C 2.313 179.105 176.870 -0.131 0.000 1.083 360 L CA 2.030 56.725 54.840 -0.241 0.000 0.752 360 L CB -1.292 40.708 42.059 -0.098 0.000 0.899 360 L HN 0.193 nan 8.230 nan 0.000 0.433 361 A N -0.642 122.157 122.820 -0.036 0.000 1.897 361 A HA 0.061 4.388 4.320 0.011 0.000 0.215 361 A C 2.348 179.937 177.584 0.007 0.000 1.181 361 A CA 1.121 53.157 52.037 -0.002 0.000 0.620 361 A CB -1.494 17.524 19.000 0.030 0.000 0.821 361 A HN 0.492 nan 8.150 nan 0.000 0.443 362 G N -0.355 108.472 108.800 0.046 0.000 2.442 362 G HA2 -0.161 3.806 3.960 0.011 0.000 0.219 362 G HA3 -0.161 3.806 3.960 0.011 0.000 0.219 362 G C 1.489 176.372 174.900 -0.028 0.000 1.141 362 G CA 1.298 46.433 45.100 0.059 0.000 0.763 362 G HN 0.307 nan 8.290 nan 0.000 0.554 363 V N 1.032 120.865 119.914 -0.136 0.000 2.407 363 V HA -0.131 3.996 4.120 0.011 0.000 0.248 363 V C 2.906 178.956 176.094 -0.072 0.000 1.055 363 V CA 1.655 63.866 62.300 -0.150 0.000 1.049 363 V CB -0.359 31.298 31.823 -0.277 0.000 0.662 363 V HN 0.247 nan 8.190 nan 0.000 0.455 364 R N -0.183 120.281 120.500 -0.060 0.000 2.237 364 R HA 0.056 4.402 4.340 0.011 0.000 0.219 364 R C 1.879 178.170 176.300 -0.016 0.000 1.080 364 R CA 1.149 57.230 56.100 -0.031 0.000 0.995 364 R CB -0.690 29.596 30.300 -0.023 0.000 0.875 364 R HN 0.497 nan 8.270 nan 0.000 0.462 365 I N -1.092 119.471 120.570 -0.012 0.000 2.731 365 I HA 0.034 4.211 4.170 0.011 0.000 0.260 365 I C 2.145 178.260 176.117 -0.004 0.000 1.138 365 I CA 0.930 62.229 61.300 -0.001 0.000 1.461 365 I CB -0.362 37.646 38.000 0.013 0.000 1.128 365 I HN 0.128 nan 8.210 nan 0.000 0.438 366 G N 0.814 109.606 108.800 -0.012 0.000 2.464 366 G HA2 -0.019 3.947 3.960 0.011 0.000 0.217 366 G HA3 -0.019 3.947 3.960 0.011 0.000 0.217 366 G C 0.868 175.767 174.900 -0.002 0.000 1.138 366 G CA 0.432 45.525 45.100 -0.012 0.000 0.793 366 G HN 0.216 nan 8.290 nan 0.000 0.539 367 V N 1.425 121.324 119.914 -0.025 0.000 2.361 367 V HA 0.220 4.346 4.120 0.011 0.000 0.252 367 V C -1.756 174.327 176.094 -0.018 0.000 0.986 367 V CA -1.060 61.203 62.300 -0.062 0.000 1.033 367 V CB 1.449 33.224 31.823 -0.081 0.000 1.282 367 V HN 0.013 nan 8.190 nan 0.000 0.514 368 P HA -0.173 nan 4.420 nan 0.000 0.221 368 P C 1.542 178.843 177.300 0.002 0.000 1.145 368 P CA 1.013 64.115 63.100 0.003 0.000 0.795 368 P CB 0.231 31.935 31.700 0.007 0.000 0.775 369 Q N -0.703 119.102 119.800 0.009 0.000 2.403 369 Q HA 0.160 4.507 4.340 0.011 0.000 0.203 369 Q C 0.379 176.373 176.000 -0.010 0.000 0.932 369 Q CA 0.096 55.901 55.803 0.003 0.000 0.945 369 Q CB -0.320 28.429 28.738 0.018 0.000 1.045 369 Q HN 0.037 nan 8.270 nan 0.000 0.511 370 A N 1.912 124.723 122.820 -0.014 0.000 2.328 370 A HA 0.469 4.796 4.320 0.011 0.000 0.284 370 A C 0.352 177.925 177.584 -0.018 0.000 1.160 370 A CA -0.150 51.875 52.037 -0.021 0.000 0.818 370 A CB 0.545 19.535 19.000 -0.017 0.000 1.087 370 A HN 0.471 nan 8.150 nan 0.000 0.504 371 S N 1.878 117.564 115.700 -0.022 0.000 2.600 371 S HA 0.115 4.591 4.470 0.011 0.000 0.265 371 S C 0.362 174.958 174.600 -0.007 0.000 1.325 371 S CA -0.039 58.151 58.200 -0.016 0.000 1.002 371 S CB 0.503 63.691 63.200 -0.020 0.000 0.921 371 S HN 0.622 nan 8.310 nan 0.000 0.554 372 D N 0.260 120.659 120.400 -0.002 0.000 2.190 372 D HA -0.119 4.527 4.640 0.011 0.000 0.200 372 D C 1.635 177.945 176.300 0.018 0.000 0.992 372 D CA 0.964 54.968 54.000 0.006 0.000 0.854 372 D CB -0.387 40.418 40.800 0.008 0.000 0.936 372 D HN 0.453 nan 8.370 nan 0.000 0.462 373 L N 0.755 121.988 121.223 0.017 0.000 2.044 373 L HA -0.005 4.342 4.340 0.011 0.000 0.205 373 L C 2.186 179.085 176.870 0.049 0.000 1.075 373 L CA 1.664 56.525 54.840 0.035 0.000 0.747 373 L CB -0.768 41.306 42.059 0.026 0.000 0.903 373 L HN -0.023 nan 8.230 nan 0.000 0.435 374 A N -0.459 122.371 122.820 0.016 0.000 1.902 374 A HA -0.122 4.205 4.320 0.011 0.000 0.217 374 A C 2.430 180.042 177.584 0.047 0.000 1.181 374 A CA 1.812 53.854 52.037 0.008 0.000 0.623 374 A CB -1.172 17.799 19.000 -0.047 0.000 0.818 374 A HN 0.557 nan 8.150 nan 0.000 0.443 375 A N -0.500 122.337 122.820 0.028 0.000 1.933 375 A HA -0.123 4.203 4.320 0.011 0.000 0.218 375 A C 1.958 179.567 177.584 0.040 0.000 1.175 375 A CA 2.076 54.125 52.037 0.020 0.000 0.628 375 A CB -0.406 18.588 19.000 -0.011 0.000 0.814 375 A HN 0.550 nan 8.150 nan 0.000 0.444 376 E N 0.194 120.431 120.200 0.062 0.000 2.072 376 E HA 0.001 4.358 4.350 0.011 0.000 0.191 376 E C 2.022 178.707 176.600 0.143 0.000 0.985 376 E CA 1.366 57.820 56.400 0.088 0.000 0.801 376 E CB -0.429 29.322 29.700 0.085 0.000 0.750 376 E HN 0.456 nan 8.360 nan 0.000 0.452 377 A N 0.103 123.031 122.820 0.180 0.000 1.908 377 A HA -0.168 4.159 4.320 0.011 0.000 0.218 377 A C 2.451 180.193 177.584 0.263 0.000 1.181 377 A CA 1.778 53.981 52.037 0.276 0.000 0.627 377 A CB -0.864 18.388 19.000 0.420 0.000 0.818 377 A HN 0.196 nan 8.150 nan 0.000 0.445 378 V N -0.548 119.530 119.914 0.273 0.000 2.237 378 V HA -0.246 3.880 4.120 0.011 0.000 0.245 378 V C 2.540 178.812 176.094 0.297 0.000 1.046 378 V CA 2.015 64.469 62.300 0.256 0.000 1.007 378 V CB -1.041 30.911 31.823 0.216 0.000 0.638 378 V HN 0.351 nan 8.190 nan 0.000 0.445 379 V N -0.107 119.907 119.914 0.168 0.000 2.324 379 V HA -0.292 3.834 4.120 0.011 0.000 0.250 379 V C 2.315 178.606 176.094 0.329 0.000 1.060 379 V CA 2.208 64.624 62.300 0.192 0.000 1.042 379 V CB -0.534 31.293 31.823 0.006 0.000 0.650 379 V HN 0.454 nan 8.190 nan 0.000 0.450 380 L N -0.984 120.412 121.223 0.288 0.000 2.093 380 L HA -0.181 4.166 4.340 0.011 0.000 0.208 380 L C 2.522 179.595 176.870 0.338 0.000 1.085 380 L CA 1.901 56.982 54.840 0.402 0.000 0.755 380 L CB -0.792 41.472 42.059 0.342 0.000 0.904 380 L HN 0.438 nan 8.230 nan 0.000 0.435 381 H N -0.733 118.339 119.070 0.004 0.000 2.387 381 H HA -0.198 4.364 4.556 0.010 0.000 0.299 381 H C 1.794 177.003 175.328 -0.199 0.000 1.090 381 H CA 1.923 57.796 56.048 -0.292 0.000 1.332 381 H CB 0.041 29.199 29.762 -1.007 0.000 1.386 381 H HN 0.257 nan 8.280 nan 0.000 0.516 382 Y N -0.179 120.201 120.300 0.132 0.000 2.500 382 Y HA 0.116 4.673 4.550 0.013 0.000 0.270 382 Y C 0.952 176.938 175.900 0.143 0.000 1.134 382 Y CA 0.369 58.579 58.100 0.183 0.000 1.293 382 Y CB 0.161 38.832 38.460 0.352 0.000 1.063 382 Y HN 0.029 nan 8.280 nan 0.000 0.534 383 T N 1.414 116.044 114.554 0.125 0.000 2.946 383 T HA -0.075 4.281 4.350 0.011 0.000 0.311 383 T C -0.219 174.187 174.700 -0.489 0.000 1.063 383 T CA 0.060 61.980 62.100 -0.300 0.000 1.139 383 T CB 0.226 68.567 68.868 -0.879 0.000 0.994 383 T HN 0.091 nan 8.240 nan 0.000 0.547 384 D N 1.407 121.458 120.400 -0.582 0.000 2.373 384 D HA 0.160 4.806 4.640 0.011 0.000 0.227 384 D C -0.069 175.938 176.300 -0.489 0.000 1.091 384 D CA -0.841 52.818 54.000 -0.568 0.000 0.840 384 D CB 0.395 40.675 40.800 -0.867 0.000 1.060 384 D HN 0.588 nan 8.370 nan 0.000 0.502 385 W N 3.026 124.252 121.300 -0.122 0.000 2.800 385 W HA 0.114 4.779 4.660 0.009 0.000 0.249 385 W C 1.808 178.245 176.519 -0.137 0.000 1.294 385 W CA -0.128 57.158 57.345 -0.099 0.000 1.402 385 W CB 0.014 29.422 29.460 -0.087 0.000 1.126 385 W HN 0.408 nan 8.180 nan 0.000 0.652 386 L N -1.226 119.964 121.223 -0.055 0.000 2.270 386 L HA -0.002 4.344 4.340 0.011 0.000 0.210 386 L C 0.106 176.612 176.870 -0.606 0.000 1.104 386 L CA 0.954 55.619 54.840 -0.292 0.000 0.804 386 L CB -0.348 41.527 42.059 -0.307 0.000 0.937 386 L HN 0.001 nan 8.230 nan 0.000 0.450 387 H N -1.397 117.606 119.070 -0.111 0.000 2.511 387 H HA 0.156 4.718 4.556 0.010 0.000 0.228 387 H C -1.858 173.376 175.328 -0.156 0.000 1.424 387 H CA -1.218 54.763 56.048 -0.111 0.000 1.321 387 H CB 0.303 30.003 29.762 -0.103 0.000 1.720 387 H HN -0.076 nan 8.280 nan 0.000 0.512 388 P HA -0.129 nan 4.420 nan 0.000 0.226 388 P C 0.685 177.923 177.300 -0.104 0.000 1.153 388 P CA 1.106 64.088 63.100 -0.197 0.000 0.777 388 P CB 0.709 32.285 31.700 -0.208 0.000 0.794 389 E N -0.312 119.862 120.200 -0.042 0.000 2.476 389 E HA 0.022 4.378 4.350 0.011 0.000 0.199 389 E C 0.049 176.635 176.600 -0.022 0.000 1.021 389 E CA -0.084 56.300 56.400 -0.025 0.000 0.907 389 E CB -0.200 29.494 29.700 -0.010 0.000 0.974 389 E HN 0.298 nan 8.360 nan 0.000 0.489 390 D N 3.195 123.593 120.400 -0.004 0.000 2.451 390 D HA -0.044 4.602 4.640 0.011 0.000 0.254 390 D C -1.282 174.992 176.300 -0.043 0.000 1.204 390 D CA -1.039 52.953 54.000 -0.012 0.000 0.896 390 D CB 1.114 41.915 40.800 0.001 0.000 1.136 390 D HN -0.089 nan 8.370 nan 0.000 0.499 391 P HA -0.099 nan 4.420 nan 0.000 0.225 391 P C 1.037 178.254 177.300 -0.138 0.000 1.156 391 P CA 0.726 63.757 63.100 -0.114 0.000 0.787 391 P CB 0.314 31.943 31.700 -0.119 0.000 0.802 392 T N -0.914 113.582 114.554 -0.098 0.000 2.770 392 T HA -0.147 4.210 4.350 0.011 0.000 0.263 392 T C 1.815 176.470 174.700 -0.074 0.000 1.039 392 T CA 1.537 63.584 62.100 -0.088 0.000 1.142 392 T CB -0.996 67.842 68.868 -0.051 0.000 0.868 392 T HN 0.273 nan 8.240 nan 0.000 0.435 393 H N 0.821 119.820 119.070 -0.118 0.000 2.389 393 H HA 0.124 4.686 4.556 0.010 0.000 0.299 393 H C 1.978 177.189 175.328 -0.195 0.000 1.081 393 H CA 1.147 57.122 56.048 -0.121 0.000 1.345 393 H CB -0.469 29.223 29.762 -0.117 0.000 1.393 393 H HN 0.225 nan 8.280 nan 0.000 0.520 394 L N 0.024 121.057 121.223 -0.317 0.000 2.083 394 L HA -0.152 4.195 4.340 0.011 0.000 0.209 394 L C 2.878 179.514 176.870 -0.391 0.000 1.083 394 L CA 1.405 55.936 54.840 -0.515 0.000 0.752 394 L CB -0.414 41.446 42.059 -0.332 0.000 0.899 394 L HN 0.286 nan 8.230 nan 0.000 0.433 395 R N 0.334 120.699 120.500 -0.225 0.000 2.075 395 R HA -0.162 4.185 4.340 0.011 0.000 0.232 395 R C 1.480 177.777 176.300 -0.005 0.000 1.126 395 R CA 1.813 57.871 56.100 -0.071 0.000 0.963 395 R CB -0.282 29.887 30.300 -0.218 0.000 0.858 395 R HN 0.366 nan 8.270 nan 0.000 0.435 396 D N 0.305 120.637 120.400 -0.115 0.000 2.234 396 D HA -0.030 4.616 4.640 0.011 0.000 0.205 396 D C 1.663 177.888 176.300 -0.125 0.000 0.962 396 D CA 1.060 55.029 54.000 -0.051 0.000 0.855 396 D CB -0.049 40.740 40.800 -0.019 0.000 0.951 396 D HN 0.316 nan 8.370 nan 0.000 0.500 397 A N 0.911 123.503 122.820 -0.380 0.000 1.873 397 A HA -0.157 4.170 4.320 0.011 0.000 0.215 397 A C 2.143 179.682 177.584 -0.076 0.000 1.186 397 A CA 1.367 53.225 52.037 -0.298 0.000 0.616 397 A CB -0.462 18.139 19.000 -0.664 0.000 0.823 397 A HN 0.118 nan 8.150 nan 0.000 0.442 398 M N 0.077 119.690 119.600 0.022 0.000 2.108 398 M HA -0.107 4.380 4.480 0.011 0.000 0.261 398 M C 2.306 178.630 176.300 0.041 0.000 1.066 398 M CA 2.135 57.553 55.300 0.196 0.000 1.107 398 M CB -0.605 32.189 32.600 0.324 0.000 1.356 398 M HN 0.427 nan 8.290 nan 0.000 0.406 399 S N -0.504 115.231 115.700 0.058 0.000 2.355 399 S HA -0.030 4.447 4.470 0.011 0.000 0.222 399 S C 2.042 176.680 174.600 0.063 0.000 1.031 399 S CA 1.350 59.600 58.200 0.084 0.000 0.993 399 S CB -0.543 62.769 63.200 0.187 0.000 0.859 399 S HN 0.602 nan 8.310 nan 0.000 0.453 400 A N 0.788 123.649 122.820 0.069 0.000 1.972 400 A HA 0.038 4.365 4.320 0.011 0.000 0.219 400 A C 2.317 179.905 177.584 0.006 0.000 1.169 400 A CA 1.587 53.693 52.037 0.116 0.000 0.635 400 A CB -0.947 18.213 19.000 0.267 0.000 0.810 400 A HN 0.451 nan 8.150 nan 0.000 0.446 401 V N -0.483 119.310 119.914 -0.201 0.000 2.261 401 V HA -0.236 3.891 4.120 0.011 0.000 0.246 401 V C 2.592 178.600 176.094 -0.143 0.000 1.047 401 V CA 2.121 64.263 62.300 -0.263 0.000 1.015 401 V CB -0.686 31.000 31.823 -0.228 0.000 0.642 401 V HN 0.381 nan 8.190 nan 0.000 0.446 402 V N 0.681 120.528 119.914 -0.111 0.000 2.343 402 V HA -0.165 3.962 4.120 0.011 0.000 0.247 402 V C 2.611 178.558 176.094 -0.245 0.000 1.051 402 V CA 2.176 64.386 62.300 -0.151 0.000 1.036 402 V CB -1.366 30.415 31.823 -0.071 0.000 0.654 402 V HN 0.619 nan 8.190 nan 0.000 0.451 403 G N -0.433 108.293 108.800 -0.123 0.000 2.418 403 G HA2 -0.234 3.733 3.960 0.011 0.000 0.217 403 G HA3 -0.234 3.733 3.960 0.011 0.000 0.217 403 G C 1.233 176.036 174.900 -0.163 0.000 1.158 403 G CA 1.066 46.106 45.100 -0.100 0.000 0.771 403 G HN 0.504 nan 8.290 nan 0.000 0.545 404 D N -0.421 119.900 120.400 -0.133 0.000 2.091 404 D HA -0.048 4.599 4.640 0.011 0.000 0.199 404 D C 2.117 178.111 176.300 -0.510 0.000 0.980 404 D CA 1.143 55.047 54.000 -0.160 0.000 0.831 404 D CB -0.537 40.332 40.800 0.115 0.000 0.987 404 D HN 0.374 nan 8.370 nan 0.000 0.460 405 H N 0.980 119.446 119.070 -1.008 0.000 2.352 405 H HA -0.015 4.547 4.556 0.010 0.000 0.299 405 H C 1.466 176.379 175.328 -0.691 0.000 1.097 405 H CA 1.768 57.036 56.048 -1.299 0.000 1.311 405 H CB 0.017 28.925 29.762 -1.423 0.000 1.377 405 H HN 0.001 nan 8.280 nan 0.000 0.504 406 N N -0.935 117.291 118.700 -0.790 0.000 2.409 406 N HA 0.003 4.750 4.740 0.011 0.000 0.174 406 N C 1.181 176.424 175.510 -0.445 0.000 1.037 406 N CA 1.113 53.649 53.050 -0.857 0.000 0.898 406 N CB 1.039 38.512 38.487 -1.690 0.000 1.010 406 N HN 0.293 nan 8.380 nan 0.000 0.445 407 V N -0.704 119.010 119.914 -0.334 0.000 3.279 407 V HA 0.057 4.184 4.120 0.011 0.000 0.213 407 V C 2.095 178.141 176.094 -0.080 0.000 1.335 407 V CA 0.166 62.406 62.300 -0.101 0.000 1.317 407 V CB 0.033 31.857 31.823 0.002 0.000 1.209 407 V HN -0.184 nan 8.190 nan 0.000 0.525 408 V N -0.037 119.827 119.914 -0.083 0.000 2.343 408 V HA -0.274 3.853 4.120 0.011 0.000 0.247 408 V C 2.450 178.507 176.094 -0.062 0.000 1.051 408 V CA 2.579 64.851 62.300 -0.047 0.000 1.036 408 V CB -0.671 31.153 31.823 0.003 0.000 0.654 408 V HN 0.663 nan 8.190 nan 0.000 0.451 409 c N -0.477 118.076 118.600 -0.079 0.000 2.486 409 c HA 0.049 4.626 4.570 0.011 0.000 0.279 409 c C 0.516 174.573 174.090 -0.054 0.000 1.302 409 c CA 0.774 57.087 56.329 -0.026 0.000 1.720 409 c CB -1.644 40.894 42.510 0.046 0.000 2.030 409 c HN 0.467 nan 8.230 nan 0.000 0.490 410 P HA -0.070 nan 4.420 nan 0.000 0.216 410 P C 1.731 178.970 177.300 -0.101 0.000 1.150 410 P CA 1.378 64.410 63.100 -0.113 0.000 0.837 410 P CB -0.206 31.399 31.700 -0.158 0.000 0.786 411 V N 0.354 120.210 119.914 -0.098 0.000 2.295 411 V HA -0.265 3.862 4.120 0.011 0.000 0.246 411 V C 2.535 178.531 176.094 -0.163 0.000 1.049 411 V CA 2.323 64.551 62.300 -0.120 0.000 1.024 411 V CB -1.724 30.030 31.823 -0.115 0.000 0.648 411 V HN 0.104 nan 8.190 nan 0.000 0.447 412 A N -0.333 122.401 122.820 -0.144 0.000 1.908 412 A HA -0.335 3.991 4.320 0.011 0.000 0.218 412 A C 2.230 179.754 177.584 -0.100 0.000 1.181 412 A CA 2.333 54.277 52.037 -0.154 0.000 0.627 412 A CB -0.582 18.378 19.000 -0.067 0.000 0.818 412 A HN 0.649 nan 8.150 nan 0.000 0.445 413 Q N -0.729 119.037 119.800 -0.056 0.000 2.050 413 Q HA -0.176 4.171 4.340 0.011 0.000 0.202 413 Q C 1.914 177.879 176.000 -0.059 0.000 0.980 413 Q CA 1.916 57.702 55.803 -0.030 0.000 0.840 413 Q CB -0.424 28.301 28.738 -0.022 0.000 0.898 413 Q HN 0.479 nan 8.270 nan 0.000 0.424 414 L N 0.614 121.778 121.223 -0.099 0.000 1.989 414 L HA -0.143 4.204 4.340 0.011 0.000 0.211 414 L C 2.321 179.105 176.870 -0.144 0.000 1.071 414 L CA 2.431 57.194 54.840 -0.127 0.000 0.749 414 L CB -1.130 40.846 42.059 -0.138 0.000 0.890 414 L HN 0.357 nan 8.230 nan 0.000 0.431 415 A N -0.627 122.077 122.820 -0.194 0.000 1.883 415 A HA -0.139 4.187 4.320 0.011 0.000 0.217 415 A C 2.354 179.913 177.584 -0.041 0.000 1.186 415 A CA 1.814 53.699 52.037 -0.253 0.000 0.624 415 A CB -1.676 16.929 19.000 -0.659 0.000 0.822 415 A HN 0.562 nan 8.150 nan 0.000 0.444 416 G N -0.732 108.091 108.800 0.040 0.000 2.418 416 G HA2 -0.218 3.749 3.960 0.011 0.000 0.217 416 G HA3 -0.218 3.749 3.960 0.011 0.000 0.217 416 G C 1.686 176.646 174.900 0.101 0.000 1.158 416 G CA 0.872 46.085 45.100 0.188 0.000 0.771 416 G HN 0.413 nan 8.290 nan 0.000 0.545 417 R N 0.238 120.757 120.500 0.032 0.000 2.062 417 R HA 0.137 4.483 4.340 0.011 0.000 0.229 417 R C 2.691 179.003 176.300 0.021 0.000 1.128 417 R CA 0.511 56.630 56.100 0.032 0.000 0.960 417 R CB -1.238 29.069 30.300 0.012 0.000 0.855 417 R HN 0.401 nan 8.270 nan 0.000 0.432 418 L N 0.463 121.634 121.223 -0.088 0.000 2.017 418 L HA -0.138 4.209 4.340 0.011 0.000 0.208 418 L C 2.656 179.546 176.870 0.034 0.000 1.073 418 L CA 1.506 56.260 54.840 -0.143 0.000 0.745 418 L CB -0.764 41.139 42.059 -0.261 0.000 0.894 418 L HN 0.149 nan 8.230 nan 0.000 0.432 419 A N 0.170 123.029 122.820 0.065 0.000 1.883 419 A HA -0.204 4.122 4.320 0.011 0.000 0.217 419 A C 2.523 180.158 177.584 0.086 0.000 1.186 419 A CA 1.870 53.965 52.037 0.096 0.000 0.624 419 A CB -0.808 18.295 19.000 0.172 0.000 0.822 419 A HN 0.411 nan 8.150 nan 0.000 0.444 420 A N -1.315 121.559 122.820 0.091 0.000 2.019 420 A HA -0.129 4.197 4.320 0.011 0.000 0.219 420 A C 1.782 179.421 177.584 0.092 0.000 1.164 420 A CA 1.637 53.722 52.037 0.079 0.000 0.644 420 A CB -0.294 18.753 19.000 0.077 0.000 0.805 420 A HN 0.620 nan 8.150 nan 0.000 0.449 421 Q N -1.817 118.065 119.800 0.137 0.000 2.206 421 Q HA 0.412 4.758 4.340 0.011 0.000 0.265 421 Q C 0.677 176.784 176.000 0.177 0.000 0.866 421 Q CA 0.387 56.291 55.803 0.168 0.000 1.073 421 Q CB 0.561 29.453 28.738 0.256 0.000 1.165 421 Q HN 0.769 nan 8.270 nan 0.000 0.465 422 G N -0.439 108.436 108.800 0.126 0.000 2.176 422 G HA2 -0.249 3.718 3.960 0.011 0.000 0.232 422 G HA3 -0.249 3.718 3.960 0.011 0.000 0.232 422 G C 0.235 175.200 174.900 0.109 0.000 0.986 422 G CA -0.160 44.999 45.100 0.098 0.000 0.643 422 G HN 0.537 nan 8.290 nan 0.000 0.522 423 A N -0.043 122.856 122.820 0.131 0.000 2.340 423 A HA 0.759 5.086 4.320 0.011 0.000 0.268 423 A C 0.640 178.258 177.584 0.057 0.000 1.100 423 A CA 0.093 52.197 52.037 0.112 0.000 0.803 423 A CB 0.412 19.470 19.000 0.097 0.000 1.043 423 A HN 0.593 nan 8.150 nan 0.000 0.488 424 R N 1.400 121.933 120.500 0.054 0.000 2.248 424 R HA 0.471 4.817 4.340 0.011 0.000 0.328 424 R C -1.333 174.953 176.300 -0.022 0.000 1.067 424 R CA -0.029 56.066 56.100 -0.010 0.000 0.924 424 R CB 0.315 30.644 30.300 0.047 0.000 1.013 424 R HN 0.486 nan 8.270 nan 0.000 0.454 425 V N 5.694 125.518 119.914 -0.150 0.000 2.604 425 V HA 0.390 4.517 4.120 0.011 0.000 0.305 425 V C -1.097 174.821 176.094 -0.293 0.000 1.043 425 V CA -0.835 61.404 62.300 -0.101 0.000 0.888 425 V CB 1.605 33.430 31.823 0.003 0.000 0.995 425 V HN 0.633 nan 8.190 nan 0.000 0.429 426 Y N 2.090 122.356 120.300 -0.057 0.000 2.393 426 Y HA 0.800 5.356 4.550 0.010 0.000 0.341 426 Y C 0.330 176.325 175.900 0.157 0.000 0.988 426 Y CA -0.600 57.467 58.100 -0.056 0.000 1.078 426 Y CB 2.191 40.255 38.460 -0.660 0.000 1.203 426 Y HN 0.760 nan 8.280 nan 0.000 0.453 427 A N 3.164 126.376 122.820 0.654 0.000 2.386 427 A HA 0.839 5.166 4.320 0.011 0.000 0.311 427 A C -1.843 176.117 177.584 0.627 0.000 1.068 427 A CA -0.716 51.583 52.037 0.435 0.000 0.743 427 A CB 0.825 19.917 19.000 0.154 0.000 1.258 427 A HN 0.740 nan 8.150 nan 0.000 0.429 428 Y N -0.136 120.413 120.300 0.415 0.000 2.553 428 Y HA 0.776 5.331 4.550 0.009 0.000 0.347 428 Y C -1.055 175.038 175.900 0.321 0.000 1.019 428 Y CA -1.629 56.659 58.100 0.313 0.000 1.032 428 Y CB 1.340 39.968 38.460 0.279 0.000 1.284 428 Y HN 0.661 nan 8.280 nan 0.000 0.466 429 I N 4.209 125.091 120.570 0.520 0.000 2.362 429 I HA 0.417 4.594 4.170 0.011 0.000 0.289 429 I C -1.547 174.908 176.117 0.563 0.000 0.994 429 I CA -0.995 60.585 61.300 0.466 0.000 1.158 429 I CB 0.706 38.930 38.000 0.373 0.000 1.315 429 I HN 0.756 nan 8.210 nan 0.000 0.451 430 F N 7.490 127.751 119.950 0.517 0.000 2.424 430 F HA 0.336 4.870 4.527 0.012 0.000 0.356 430 F C 0.665 176.627 175.800 0.270 0.000 1.110 430 F CA 0.186 58.415 58.000 0.382 0.000 1.161 430 F CB 0.783 40.016 39.000 0.388 0.000 1.115 430 F HN 0.560 nan 8.300 nan 0.000 0.507 431 E N 3.088 123.105 120.200 -0.306 0.000 2.630 431 E HA -0.025 4.332 4.350 0.011 0.000 0.218 431 E C -0.860 175.582 176.600 -0.263 0.000 0.977 431 E CA -0.164 56.144 56.400 -0.154 0.000 1.038 431 E CB 0.292 29.948 29.700 -0.074 0.000 1.051 431 E HN 0.559 nan 8.360 nan 0.000 0.487 432 H N 1.197 119.841 119.070 -0.711 0.000 2.517 432 H HA 0.256 4.818 4.556 0.010 0.000 0.317 432 H C -0.440 174.836 175.328 -0.086 0.000 1.080 432 H CA -0.464 55.283 56.048 -0.501 0.000 1.301 432 H CB 0.589 29.841 29.762 -0.850 0.000 1.425 432 H HN -0.157 nan 8.280 nan 0.000 0.471 433 R N 4.081 124.247 120.500 -0.557 0.000 2.234 433 R HA 0.468 4.815 4.340 0.011 0.000 0.324 433 R C -0.590 175.461 176.300 -0.414 0.000 1.054 433 R CA -0.579 55.354 56.100 -0.279 0.000 0.912 433 R CB 0.319 30.518 30.300 -0.169 0.000 1.030 433 R HN 0.803 nan 8.270 nan 0.000 0.455 434 A N 3.197 126.101 122.820 0.140 0.000 2.546 434 A HA 0.005 4.332 4.320 0.011 0.000 0.243 434 A C 1.365 179.067 177.584 0.197 0.000 1.063 434 A CA 0.508 52.813 52.037 0.446 0.000 0.757 434 A CB 0.317 19.712 19.000 0.658 0.000 0.991 434 A HN 1.027 nan 8.150 nan 0.000 0.503 435 S N 1.656 117.503 115.700 0.244 0.000 2.440 435 S HA -0.172 4.305 4.470 0.011 0.000 0.238 435 S C 1.379 175.990 174.600 0.018 0.000 1.010 435 S CA 1.747 60.011 58.200 0.106 0.000 0.972 435 S CB -0.812 62.468 63.200 0.134 0.000 0.774 435 S HN 1.337 nan 8.310 nan 0.000 0.501 436 T N -1.082 113.465 114.554 -0.011 0.000 3.107 436 T HA 0.345 4.701 4.350 0.011 0.000 0.249 436 T C 0.387 175.037 174.700 -0.083 0.000 1.096 436 T CA -0.561 61.462 62.100 -0.129 0.000 1.012 436 T CB -0.353 68.314 68.868 -0.335 0.000 0.977 436 T HN 0.205 nan 8.240 nan 0.000 0.527 437 L N 3.988 125.194 121.223 -0.028 0.000 2.416 437 L HA 0.356 4.703 4.340 0.011 0.000 0.272 437 L C 1.463 178.290 176.870 -0.071 0.000 1.161 437 L CA 0.584 55.389 54.840 -0.057 0.000 0.845 437 L CB 1.053 43.075 42.059 -0.062 0.000 1.119 437 L HN 0.474 nan 8.230 nan 0.000 0.464 438 T N -0.884 113.599 114.554 -0.118 0.000 3.023 438 T HA 0.115 4.471 4.350 0.011 0.000 0.253 438 T C 0.401 175.129 174.700 0.047 0.000 1.038 438 T CA -0.511 61.535 62.100 -0.089 0.000 0.962 438 T CB -0.263 68.478 68.868 -0.212 0.000 1.018 438 T HN 0.357 nan 8.240 nan 0.000 0.521 439 W N 3.325 124.653 121.300 0.047 0.000 2.079 439 W HA 0.412 5.079 4.660 0.012 0.000 0.354 439 W C -2.030 174.392 176.519 -0.161 0.000 1.302 439 W CA -1.989 55.352 57.345 -0.007 0.000 1.281 439 W CB 0.035 29.416 29.460 -0.132 0.000 1.165 439 W HN -0.019 nan 8.180 nan 0.000 0.603 440 P HA 0.031 nan 4.420 nan 0.000 0.272 440 P C 0.636 177.827 177.300 -0.182 0.000 1.230 440 P CA -0.034 62.987 63.100 -0.132 0.000 0.788 440 P CB 0.743 32.312 31.700 -0.218 0.000 0.949 441 L N 0.726 121.919 121.223 -0.050 0.000 2.051 441 L HA -0.191 4.156 4.340 0.011 0.000 0.214 441 L C 2.540 179.429 176.870 0.032 0.000 1.076 441 L CA 1.829 56.670 54.840 0.001 0.000 0.758 441 L CB -0.983 41.111 42.059 0.058 0.000 0.890 441 L HN 0.621 nan 8.230 nan 0.000 0.433 442 W N -0.973 120.365 121.300 0.063 0.000 2.525 442 W HA -0.125 4.541 4.660 0.010 0.000 0.259 442 W C 1.726 178.293 176.519 0.080 0.000 1.253 442 W CA 0.417 57.802 57.345 0.065 0.000 1.262 442 W CB -0.689 28.810 29.460 0.066 0.000 1.122 442 W HN 0.198 nan 8.180 nan 0.000 0.607 443 M N 1.340 120.667 119.600 -0.455 0.000 2.619 443 M HA 0.110 4.596 4.480 0.011 0.000 0.251 443 M C 1.836 178.067 176.300 -0.115 0.000 1.106 443 M CA 1.385 56.413 55.300 -0.453 0.000 1.086 443 M CB -0.512 31.654 32.600 -0.722 0.000 1.465 443 M HN 0.209 nan 8.290 nan 0.000 0.506 444 G N 0.624 109.405 108.800 -0.032 0.000 2.596 444 G HA2 -0.301 3.665 3.960 0.011 0.000 0.304 444 G HA3 -0.301 3.665 3.960 0.011 0.000 0.304 444 G C -0.087 174.826 174.900 0.022 0.000 1.189 444 G CA -0.016 45.101 45.100 0.029 0.000 0.986 444 G HN 0.250 nan 8.290 nan 0.000 0.548 445 V N 3.642 123.609 119.914 0.089 0.000 2.259 445 V HA 0.467 4.594 4.120 0.011 0.000 0.267 445 V C -1.841 174.380 176.094 0.212 0.000 1.051 445 V CA -0.834 61.569 62.300 0.172 0.000 0.830 445 V CB 1.109 33.089 31.823 0.261 0.000 1.080 445 V HN 0.530 nan 8.190 nan 0.000 0.467 446 P HA 0.187 nan 4.420 nan 0.000 0.276 446 P C -0.178 177.332 177.300 0.350 0.000 1.252 446 P CA -0.500 62.693 63.100 0.155 0.000 0.802 446 P CB 0.406 32.047 31.700 -0.098 0.000 1.035 447 H N 0.530 119.690 119.070 0.151 0.000 3.140 447 H HA 0.221 4.783 4.556 0.010 0.000 0.316 447 H C 1.624 176.954 175.328 0.003 0.000 0.986 447 H CA 2.464 58.579 56.048 0.112 0.000 1.397 447 H CB -0.612 29.210 29.762 0.100 0.000 1.377 447 H HN 0.759 nan 8.280 nan 0.000 0.585 448 G N 3.383 111.999 108.800 -0.307 0.000 2.217 448 G HA2 -0.315 3.652 3.960 0.011 0.000 0.246 448 G HA3 -0.315 3.652 3.960 0.011 0.000 0.246 448 G C 0.573 175.335 174.900 -0.230 0.000 0.990 448 G CA 0.379 45.239 45.100 -0.401 0.000 0.627 448 G HN 0.647 nan 8.290 nan 0.000 0.522 449 Y N 1.482 121.875 120.300 0.155 0.000 2.495 449 Y HA 0.290 4.846 4.550 0.010 0.000 0.293 449 Y C 2.121 178.120 175.900 0.165 0.000 1.186 449 Y CA 0.827 59.081 58.100 0.256 0.000 1.266 449 Y CB 0.501 39.155 38.460 0.323 0.000 1.101 449 Y HN 0.475 nan 8.280 nan 0.000 0.517 450 E N -0.237 119.891 120.200 -0.119 0.000 2.481 450 E HA 0.014 4.371 4.350 0.011 0.000 0.198 450 E C 1.269 177.748 176.600 -0.201 0.000 1.027 450 E CA 0.337 56.359 56.400 -0.630 0.000 0.900 450 E CB -0.263 28.632 29.700 -1.342 0.000 0.993 450 E HN 0.524 nan 8.360 nan 0.000 0.482 451 I N 1.072 121.629 120.570 -0.021 0.000 2.086 451 I HA -0.234 3.943 4.170 0.011 0.000 0.233 451 I C 2.072 178.215 176.117 0.043 0.000 1.060 451 I CA 1.765 63.092 61.300 0.044 0.000 1.326 451 I CB -0.429 37.680 38.000 0.182 0.000 1.067 451 I HN 0.178 nan 8.210 nan 0.000 0.398 452 E N -0.848 119.306 120.200 -0.078 0.000 3.989 452 E HA -0.381 3.975 4.350 0.011 0.000 0.213 452 E C 1.555 177.912 176.600 -0.405 0.000 1.243 452 E CA 2.406 58.664 56.400 -0.238 0.000 2.156 452 E CB -1.145 28.466 29.700 -0.148 0.000 1.852 452 E HN 0.325 nan 8.360 nan 0.000 0.298 453 F N 0.194 120.042 119.950 -0.170 0.000 2.219 453 F HA 0.050 4.585 4.527 0.014 0.000 0.294 453 F C 2.384 177.958 175.800 -0.377 0.000 1.086 453 F CA 0.906 58.746 58.000 -0.266 0.000 1.330 453 F CB -0.088 38.822 39.000 -0.150 0.000 1.047 453 F HN 0.180 nan 8.300 nan 0.000 0.495 454 I N -0.702 119.706 120.570 -0.269 0.000 2.226 454 I HA -0.285 3.892 4.170 0.011 0.000 0.245 454 I C 1.997 177.882 176.117 -0.387 0.000 1.100 454 I CA 1.734 62.724 61.300 -0.518 0.000 1.374 454 I CB -1.469 36.104 38.000 -0.711 0.000 1.057 454 I HN 0.086 nan 8.210 nan 0.000 0.413 455 F N 1.023 120.795 119.950 -0.297 0.000 2.811 455 F HA 0.234 4.768 4.527 0.011 0.000 0.301 455 F C 1.802 177.472 175.800 -0.218 0.000 1.151 455 F CA 0.685 58.553 58.000 -0.219 0.000 1.412 455 F CB -0.382 38.474 39.000 -0.239 0.000 1.113 455 F HN 0.293 nan 8.300 nan 0.000 0.579 456 G N 0.415 109.083 108.800 -0.221 0.000 2.198 456 G HA2 -0.315 3.651 3.960 0.011 0.000 0.257 456 G HA3 -0.315 3.651 3.960 0.011 0.000 0.257 456 G C 0.981 175.365 174.900 -0.860 0.000 1.042 456 G CA 0.306 45.165 45.100 -0.401 0.000 0.791 456 G HN 0.341 nan 8.290 nan 0.000 0.502 457 L N 0.160 120.899 121.223 -0.805 0.000 2.079 457 L HA 0.036 4.383 4.340 0.011 0.000 0.210 457 L C 0.430 176.807 176.870 -0.821 0.000 1.081 457 L CA 2.606 56.903 54.840 -0.905 0.000 0.752 457 L CB -0.795 40.991 42.059 -0.456 0.000 0.896 457 L HN 0.195 nan 8.230 nan 0.000 0.433 458 P HA -0.159 nan 4.420 nan 0.000 0.224 458 P C 1.488 178.554 177.300 -0.390 0.000 1.142 458 P CA 0.962 63.505 63.100 -0.928 0.000 0.778 458 P CB 0.033 31.176 31.700 -0.927 0.000 0.764 459 L N -1.421 119.518 121.223 -0.473 0.000 2.465 459 L HA -0.008 4.339 4.340 0.011 0.000 0.224 459 L C 0.953 177.743 176.870 -0.133 0.000 1.145 459 L CA 1.077 55.756 54.840 -0.268 0.000 0.834 459 L CB -0.998 40.919 42.059 -0.237 0.000 0.944 459 L HN -0.073 nan 8.230 nan 0.000 0.451 460 D N 0.048 120.342 120.400 -0.177 0.000 2.352 460 D HA 0.078 4.724 4.640 0.011 0.000 0.245 460 D C -1.550 174.776 176.300 0.042 0.000 1.224 460 D CA -1.862 52.157 54.000 0.032 0.000 0.879 460 D CB 1.519 42.366 40.800 0.079 0.000 1.057 460 D HN -0.017 nan 8.370 nan 0.000 0.491 461 P HA -0.133 nan 4.420 nan 0.000 0.220 461 P C 0.848 178.166 177.300 0.029 0.000 1.144 461 P CA 0.962 64.085 63.100 0.037 0.000 0.800 461 P CB 0.177 31.896 31.700 0.032 0.000 0.772 462 S N -2.397 113.319 115.700 0.027 0.000 2.597 462 S HA 0.176 4.653 4.470 0.011 0.000 0.224 462 S C 1.283 175.875 174.600 -0.013 0.000 0.955 462 S CA -0.173 58.031 58.200 0.005 0.000 0.933 462 S CB -0.948 62.255 63.200 0.005 0.000 0.788 462 S HN 0.087 nan 8.310 nan 0.000 0.488 463 L N 0.578 121.802 121.223 0.002 0.000 2.585 463 L HA 0.303 4.650 4.340 0.011 0.000 0.226 463 L C 0.314 177.082 176.870 -0.171 0.000 1.113 463 L CA -0.143 54.662 54.840 -0.059 0.000 0.876 463 L CB -0.460 41.618 42.059 0.031 0.000 1.072 463 L HN 0.237 nan 8.230 nan 0.000 0.468 464 N N -1.402 117.253 118.700 -0.075 0.000 2.829 464 N HA -0.212 4.535 4.740 0.011 0.000 0.250 464 N C -0.402 175.037 175.510 -0.119 0.000 1.090 464 N CA 0.754 53.746 53.050 -0.097 0.000 0.781 464 N CB -1.612 36.799 38.487 -0.127 0.000 1.124 464 N HN 0.244 nan 8.380 nan 0.000 0.559 465 Y N 0.977 121.266 120.300 -0.019 0.000 2.357 465 Y HA 0.149 4.706 4.550 0.011 0.000 0.340 465 Y C 1.964 177.887 175.900 0.039 0.000 1.260 465 Y CA 0.411 58.524 58.100 0.023 0.000 1.425 465 Y CB 0.371 38.836 38.460 0.008 0.000 1.326 465 Y HN 0.085 nan 8.280 nan 0.000 0.580 466 T N -2.520 112.184 114.554 0.250 0.000 2.813 466 T HA 0.058 4.415 4.350 0.011 0.000 0.297 466 T C 1.127 175.907 174.700 0.133 0.000 1.036 466 T CA -0.248 61.944 62.100 0.153 0.000 1.044 466 T CB 0.855 69.803 68.868 0.133 0.000 0.993 466 T HN 0.730 nan 8.240 nan 0.000 0.535 467 T N 1.621 116.224 114.554 0.082 0.000 2.720 467 T HA -0.122 4.235 4.350 0.011 0.000 0.268 467 T C 1.763 176.496 174.700 0.055 0.000 1.037 467 T CA 1.911 64.045 62.100 0.058 0.000 1.144 467 T CB -0.473 68.417 68.868 0.038 0.000 0.864 467 T HN 0.759 nan 8.240 nan 0.000 0.444 468 E N 1.157 121.386 120.200 0.048 0.000 2.118 468 E HA -0.110 4.246 4.350 0.011 0.000 0.195 468 E C 2.265 178.889 176.600 0.039 0.000 0.992 468 E CA 1.065 57.477 56.400 0.019 0.000 0.804 468 E CB -0.222 29.468 29.700 -0.017 0.000 0.741 468 E HN 0.600 nan 8.360 nan 0.000 0.458 469 E N 0.050 120.311 120.200 0.102 0.000 2.106 469 E HA -0.126 4.230 4.350 0.011 0.000 0.192 469 E C 2.156 178.877 176.600 0.201 0.000 0.984 469 E CA 0.477 57.013 56.400 0.226 0.000 0.806 469 E CB -0.033 29.919 29.700 0.422 0.000 0.750 469 E HN 0.091 nan 8.360 nan 0.000 0.458 470 R N 0.759 121.313 120.500 0.089 0.000 2.081 470 R HA -0.120 4.227 4.340 0.011 0.000 0.235 470 R C 2.275 178.581 176.300 0.011 0.000 1.131 470 R CA 0.985 57.085 56.100 0.000 0.000 0.960 470 R CB -0.155 30.145 30.300 0.001 0.000 0.856 470 R HN 0.154 nan 8.270 nan 0.000 0.436 471 I N 0.097 120.693 120.570 0.043 0.000 2.179 471 I HA -0.294 3.882 4.170 0.011 0.000 0.242 471 I C 2.185 178.341 176.117 0.066 0.000 1.088 471 I CA 1.057 62.379 61.300 0.035 0.000 1.357 471 I CB -0.370 37.650 38.000 0.033 0.000 1.051 471 I HN 0.133 nan 8.210 nan 0.000 0.409 472 F N 1.926 121.826 119.950 -0.083 0.000 2.091 472 F HA -0.307 4.226 4.527 0.009 0.000 0.299 472 F C 2.457 178.230 175.800 -0.046 0.000 1.103 472 F CA 1.375 59.311 58.000 -0.107 0.000 1.228 472 F CB -0.717 38.147 39.000 -0.227 0.000 0.984 472 F HN 0.045 nan 8.300 nan 0.000 0.477 473 A N -0.075 122.708 122.820 -0.062 0.000 1.892 473 A HA -0.289 4.038 4.320 0.011 0.000 0.218 473 A C 2.186 179.641 177.584 -0.215 0.000 1.188 473 A CA 2.017 53.956 52.037 -0.163 0.000 0.631 473 A CB -1.036 17.875 19.000 -0.148 0.000 0.822 473 A HN 0.611 nan 8.150 nan 0.000 0.447 474 Q N -0.954 118.757 119.800 -0.148 0.000 2.135 474 Q HA -0.201 4.145 4.340 0.011 0.000 0.204 474 Q C 2.422 178.305 176.000 -0.195 0.000 0.981 474 Q CA 1.689 57.409 55.803 -0.137 0.000 0.856 474 Q CB -0.163 28.524 28.738 -0.084 0.000 0.902 474 Q HN 0.643 nan 8.270 nan 0.000 0.425 475 R N 0.117 120.476 120.500 -0.235 0.000 2.062 475 R HA -0.094 4.252 4.340 0.011 0.000 0.231 475 R C 2.370 178.340 176.300 -0.550 0.000 1.136 475 R CA 1.117 56.979 56.100 -0.396 0.000 0.948 475 R CB -0.328 29.814 30.300 -0.263 0.000 0.845 475 R HN 0.237 nan 8.270 nan 0.000 0.430 476 L N 0.276 121.261 121.223 -0.397 0.000 2.042 476 L HA -0.214 4.133 4.340 0.011 0.000 0.210 476 L C 2.557 179.362 176.870 -0.108 0.000 1.076 476 L CA 1.458 56.170 54.840 -0.213 0.000 0.749 476 L CB -0.405 41.380 42.059 -0.456 0.000 0.893 476 L HN 0.262 nan 8.230 nan 0.000 0.432 477 M N -0.578 118.907 119.600 -0.190 0.000 2.159 477 M HA -0.221 4.266 4.480 0.011 0.000 0.263 477 M C 2.292 178.580 176.300 -0.020 0.000 1.063 477 M CA 1.577 56.810 55.300 -0.112 0.000 1.110 477 M CB -0.314 32.208 32.600 -0.130 0.000 1.374 477 M HN 0.010 nan 8.290 nan 0.000 0.411 478 K N 0.084 120.424 120.400 -0.100 0.000 2.026 478 K HA -0.144 4.183 4.320 0.011 0.000 0.208 478 K C 1.618 178.244 176.600 0.044 0.000 1.048 478 K CA 1.737 57.973 56.287 -0.084 0.000 0.929 478 K CB -0.301 32.084 32.500 -0.192 0.000 0.713 478 K HN 0.224 nan 8.250 nan 0.000 0.439 479 Y N -0.740 119.676 120.300 0.195 0.000 2.114 479 Y HA -0.231 4.328 4.550 0.015 0.000 0.284 479 Y C 2.334 178.353 175.900 0.199 0.000 1.143 479 Y CA 1.131 59.372 58.100 0.236 0.000 1.135 479 Y CB -0.905 37.825 38.460 0.450 0.000 0.980 479 Y HN 0.199 nan 8.280 nan 0.000 0.499 480 W N 0.820 122.188 121.300 0.114 0.000 2.335 480 W HA -0.268 4.398 4.660 0.010 0.000 0.311 480 W C 2.577 179.086 176.519 -0.017 0.000 1.213 480 W CA 2.536 59.883 57.345 0.004 0.000 1.274 480 W CB -0.729 28.663 29.460 -0.114 0.000 1.148 480 W HN 0.266 nan 8.180 nan 0.000 0.498 481 T N -2.149 112.497 114.554 0.153 0.000 2.904 481 T HA -0.142 4.215 4.350 0.011 0.000 0.267 481 T C 1.445 176.162 174.700 0.029 0.000 1.059 481 T CA 1.266 63.393 62.100 0.044 0.000 1.137 481 T CB -0.568 68.307 68.868 0.012 0.000 0.879 481 T HN -0.085 nan 8.240 nan 0.000 0.467 482 N N 0.941 119.675 118.700 0.056 0.000 2.084 482 N HA -0.008 4.739 4.740 0.011 0.000 0.190 482 N C 1.354 176.849 175.510 -0.025 0.000 1.030 482 N CA 1.063 54.126 53.050 0.022 0.000 0.849 482 N CB -0.753 37.767 38.487 0.055 0.000 1.012 482 N HN 0.474 nan 8.380 nan 0.000 0.423 483 F N 1.687 121.536 119.950 -0.168 0.000 2.095 483 F HA -0.182 4.351 4.527 0.011 0.000 0.298 483 F C 2.180 177.888 175.800 -0.153 0.000 1.104 483 F CA 1.624 59.477 58.000 -0.246 0.000 1.232 483 F CB -0.580 38.183 39.000 -0.395 0.000 0.987 483 F HN 0.054 nan 8.300 nan 0.000 0.475 484 A N 0.295 123.041 122.820 -0.123 0.000 1.908 484 A HA -0.229 4.098 4.320 0.011 0.000 0.218 484 A C 2.390 179.863 177.584 -0.185 0.000 1.181 484 A CA 1.898 53.839 52.037 -0.159 0.000 0.627 484 A CB -0.853 18.116 19.000 -0.052 0.000 0.818 484 A HN 0.470 nan 8.150 nan 0.000 0.445 485 R N -1.282 119.138 120.500 -0.133 0.000 2.075 485 R HA -0.099 4.247 4.340 0.011 0.000 0.232 485 R C 1.895 178.110 176.300 -0.142 0.000 1.126 485 R CA 1.938 57.974 56.100 -0.106 0.000 0.963 485 R CB -0.081 30.182 30.300 -0.062 0.000 0.858 485 R HN 0.741 nan 8.270 nan 0.000 0.435 486 T N -6.399 108.041 114.554 -0.190 0.000 3.009 486 T HA 0.243 4.599 4.350 0.011 0.000 0.267 486 T C 1.025 175.593 174.700 -0.219 0.000 0.942 486 T CA 0.372 62.375 62.100 -0.162 0.000 0.883 486 T CB 1.392 70.199 68.868 -0.101 0.000 1.192 486 T HN 0.302 nan 8.240 nan 0.000 0.524 487 G N 1.321 109.867 108.800 -0.425 0.000 2.141 487 G HA2 -0.141 3.826 3.960 0.011 0.000 0.242 487 G HA3 -0.141 3.826 3.960 0.011 0.000 0.242 487 G C -0.384 174.386 174.900 -0.217 0.000 0.982 487 G CA 0.169 44.962 45.100 -0.512 0.000 0.662 487 G HN 0.844 nan 8.290 nan 0.000 0.527 488 D N -0.833 119.444 120.400 -0.204 0.000 2.890 488 D HA 0.458 5.105 4.640 0.011 0.000 0.233 488 D C -1.625 174.506 176.300 -0.283 0.000 1.306 488 D CA -1.560 52.292 54.000 -0.246 0.000 0.929 488 D CB 2.034 42.789 40.800 -0.074 0.000 1.512 488 D HN -0.035 nan 8.370 nan 0.000 0.568 489 P HA -0.008 nan 4.420 nan 0.000 0.233 489 P C -0.014 177.286 177.300 -0.001 0.000 1.167 489 P CA 0.080 63.000 63.100 -0.300 0.000 0.770 489 P CB 0.342 31.578 31.700 -0.773 0.000 0.837 490 N N 1.534 120.204 118.700 -0.050 0.000 2.518 490 N HA 0.016 4.762 4.740 0.011 0.000 0.266 490 N C 0.066 175.637 175.510 0.103 0.000 1.196 490 N CA 0.369 53.485 53.050 0.109 0.000 0.947 490 N CB 0.541 39.084 38.487 0.094 0.000 1.098 490 N HN 0.037 nan 8.380 nan 0.000 0.450 491 D N 2.203 122.687 120.400 0.139 0.000 2.338 491 D HA 0.107 4.753 4.640 0.011 0.000 0.255 491 D C -1.426 174.915 176.300 0.069 0.000 1.237 491 D CA -1.466 52.587 54.000 0.089 0.000 0.883 491 D CB 1.357 42.208 40.800 0.084 0.000 1.087 491 D HN 0.275 nan 8.370 nan 0.000 0.485 492 P HA -0.107 nan 4.420 nan 0.000 0.216 492 P C 1.418 178.742 177.300 0.039 0.000 1.153 492 P CA 1.153 64.278 63.100 0.040 0.000 0.844 492 P CB 0.252 31.968 31.700 0.026 0.000 0.787 493 R N 0.509 121.029 120.500 0.034 0.000 2.092 493 R HA -0.082 4.265 4.340 0.011 0.000 0.231 493 R C 1.103 177.425 176.300 0.037 0.000 1.119 493 R CA 1.536 57.655 56.100 0.031 0.000 0.970 493 R CB -2.104 28.210 30.300 0.025 0.000 0.864 493 R HN 0.245 nan 8.270 nan 0.000 0.440 494 D N -0.325 120.102 120.400 0.045 0.000 2.349 494 D HA 0.382 5.029 4.640 0.011 0.000 0.266 494 D C 1.350 177.683 176.300 0.055 0.000 1.293 494 D CA 0.730 54.760 54.000 0.050 0.000 0.926 494 D CB 0.881 41.717 40.800 0.060 0.000 1.090 494 D HN 0.446 nan 8.370 nan 0.000 0.502 495 S N 3.828 119.556 115.700 0.046 0.000 2.325 495 S HA -0.112 4.365 4.470 0.011 0.000 0.213 495 S C 2.122 176.751 174.600 0.049 0.000 1.031 495 S CA 1.731 59.958 58.200 0.045 0.000 0.984 495 S CB -0.844 62.378 63.200 0.035 0.000 0.939 495 S HN 0.506 nan 8.310 nan 0.000 0.438 496 K N 1.097 121.524 120.400 0.045 0.000 2.173 496 K HA 0.062 4.389 4.320 0.011 0.000 0.207 496 K C 1.568 178.201 176.600 0.055 0.000 1.046 496 K CA 1.569 57.883 56.287 0.044 0.000 0.929 496 K CB -1.400 31.122 32.500 0.037 0.000 0.720 496 K HN 0.472 nan 8.250 nan 0.000 0.453 497 S N 1.086 116.828 115.700 0.070 0.000 2.589 497 S HA 0.356 4.832 4.470 0.011 0.000 0.265 497 S C -2.201 172.456 174.600 0.094 0.000 1.342 497 S CA -0.908 57.346 58.200 0.090 0.000 1.005 497 S CB 0.957 64.231 63.200 0.123 0.000 0.909 497 S HN 0.506 nan 8.310 nan 0.000 0.555 498 P HA 0.318 nan 4.420 nan 0.000 0.282 498 P C -1.055 176.323 177.300 0.129 0.000 1.249 498 P CA -0.655 62.500 63.100 0.092 0.000 0.806 498 P CB 0.476 32.215 31.700 0.064 0.000 0.984 499 Q N 0.838 120.716 119.800 0.130 0.000 2.259 499 Q HA 0.179 4.526 4.340 0.011 0.000 0.249 499 Q C -0.694 175.447 176.000 0.235 0.000 0.914 499 Q CA -0.069 55.843 55.803 0.182 0.000 0.904 499 Q CB 1.012 29.847 28.738 0.162 0.000 1.213 499 Q HN 0.569 nan 8.270 nan 0.000 0.428 500 W N 6.491 127.826 121.300 0.058 0.000 2.387 500 W HA 0.294 4.960 4.660 0.010 0.000 0.310 500 W C -2.456 174.183 176.519 0.201 0.000 1.181 500 W CA -2.383 55.006 57.345 0.074 0.000 1.333 500 W CB 0.366 29.805 29.460 -0.035 0.000 1.286 500 W HN 0.389 nan 8.180 nan 0.000 0.455 501 P HA 0.288 nan 4.420 nan 0.000 0.281 501 P C -2.617 174.911 177.300 0.380 0.000 1.249 501 P CA -1.798 61.535 63.100 0.388 0.000 0.810 501 P CB 0.778 32.612 31.700 0.223 0.000 1.008 502 P HA 0.048 nan 4.420 nan 0.000 0.269 502 P C -0.587 176.711 177.300 -0.003 0.000 1.209 502 P CA 0.229 63.142 63.100 -0.312 0.000 0.776 502 P CB 0.044 31.538 31.700 -0.344 0.000 0.876 503 Y N 2.751 123.001 120.300 -0.084 0.000 2.359 503 Y HA 0.390 4.950 4.550 0.017 0.000 0.330 503 Y C 0.388 176.277 175.900 -0.019 0.000 1.143 503 Y CA 0.674 58.788 58.100 0.022 0.000 1.318 503 Y CB 0.460 38.957 38.460 0.061 0.000 1.234 503 Y HN 0.436 nan 8.280 nan 0.000 0.522 504 T N -0.071 114.187 114.554 -0.492 0.000 2.864 504 T HA 0.246 4.603 4.350 0.011 0.000 0.299 504 T C 0.732 175.165 174.700 -0.445 0.000 1.166 504 T CA -0.242 61.681 62.100 -0.295 0.000 1.007 504 T CB 1.180 69.950 68.868 -0.164 0.000 1.219 504 T HN 0.630 nan 8.240 nan 0.000 0.506 505 T N -0.707 113.742 114.554 -0.175 0.000 2.821 505 T HA 0.039 4.396 4.350 0.011 0.000 0.267 505 T C 2.332 176.965 174.700 -0.111 0.000 1.046 505 T CA 0.996 63.031 62.100 -0.109 0.000 1.139 505 T CB -0.889 67.976 68.868 -0.006 0.000 0.871 505 T HN 0.893 nan 8.240 nan 0.000 0.454 506 A N 1.992 124.755 122.820 -0.094 0.000 1.865 506 A HA 0.342 4.668 4.320 0.011 0.000 0.217 506 A C 2.627 180.165 177.584 -0.076 0.000 1.191 506 A CA 2.021 54.020 52.037 -0.063 0.000 0.623 506 A CB -1.162 17.812 19.000 -0.044 0.000 0.826 506 A HN 0.807 nan 8.150 nan 0.000 0.444 507 A N -2.723 120.026 122.820 -0.119 0.000 2.288 507 A HA 0.352 4.678 4.320 0.011 0.000 0.216 507 A C 0.828 178.341 177.584 -0.118 0.000 1.199 507 A CA 0.758 52.742 52.037 -0.088 0.000 0.891 507 A CB -0.099 18.868 19.000 -0.054 0.000 0.923 507 A HN 0.514 nan 8.150 nan 0.000 0.500 508 Q N -0.014 119.595 119.800 -0.318 0.000 2.434 508 Q HA -0.227 4.119 4.340 0.011 0.000 0.299 508 Q C -0.760 175.251 176.000 0.019 0.000 1.286 508 Q CA 0.756 56.312 55.803 -0.413 0.000 0.872 508 Q CB -1.696 27.011 28.738 -0.053 0.000 1.193 508 Q HN 0.829 nan 8.270 nan 0.000 0.466 509 Q N 0.484 120.291 119.800 0.012 0.000 2.267 509 Q HA 0.494 4.841 4.340 0.011 0.000 0.255 509 Q C -0.451 175.829 176.000 0.467 0.000 0.923 509 Q CA -0.156 55.771 55.803 0.207 0.000 0.925 509 Q CB 0.663 29.464 28.738 0.105 0.000 1.195 509 Q HN 0.336 nan 8.270 nan 0.000 0.417 510 Y N -1.149 119.293 120.300 0.237 0.000 2.644 510 Y HA 0.741 5.301 4.550 0.016 0.000 0.338 510 Y C -1.104 174.823 175.900 0.045 0.000 1.119 510 Y CA -1.521 56.720 58.100 0.235 0.000 1.060 510 Y CB 0.605 39.206 38.460 0.235 0.000 1.294 510 Y HN 0.341 nan 8.280 nan 0.000 0.472 511 V N -0.320 119.519 119.914 -0.126 0.000 2.815 511 V HA 0.828 4.954 4.120 0.011 0.000 0.314 511 V C -0.288 175.689 176.094 -0.195 0.000 1.064 511 V CA -0.593 61.466 62.300 -0.402 0.000 0.952 511 V CB 1.323 32.641 31.823 -0.841 0.000 1.020 511 V HN 1.178 nan 8.190 nan 0.000 0.439 512 S N 3.808 119.392 115.700 -0.193 0.000 2.452 512 S HA 0.667 5.144 4.470 0.011 0.000 0.284 512 S C -0.433 174.126 174.600 -0.068 0.000 1.171 512 S CA -0.654 57.512 58.200 -0.058 0.000 1.064 512 S CB 0.384 63.546 63.200 -0.063 0.000 0.967 512 S HN 0.746 nan 8.310 nan 0.000 0.484 513 L N 4.538 125.775 121.223 0.024 0.000 2.255 513 L HA 0.507 4.854 4.340 0.011 0.000 0.289 513 L C -0.042 176.778 176.870 -0.083 0.000 1.046 513 L CA -0.390 54.508 54.840 0.098 0.000 0.816 513 L CB -0.249 41.959 42.059 0.249 0.000 1.197 513 L HN 0.928 nan 8.230 nan 0.000 0.427 514 N N 2.116 120.700 118.700 -0.194 0.000 3.449 514 N HA 0.268 5.015 4.740 0.011 0.000 0.312 514 N C 0.145 175.120 175.510 -0.891 0.000 1.557 514 N CA -0.949 51.670 53.050 -0.718 0.000 0.864 514 N CB 0.550 38.796 38.487 -0.401 0.000 1.799 514 N HN 0.208 nan 8.380 nan 0.000 0.554 515 L N -0.829 119.884 121.223 -0.850 0.000 2.265 515 L HA 0.045 4.392 4.340 0.011 0.000 0.215 515 L C 0.717 177.428 176.870 -0.265 0.000 1.117 515 L CA 1.055 55.530 54.840 -0.608 0.000 0.782 515 L CB -0.462 41.328 42.059 -0.449 0.000 0.914 515 L HN 0.396 nan 8.230 nan 0.000 0.441 516 K N -0.146 120.134 120.400 -0.199 0.000 2.098 516 K HA 0.291 4.618 4.320 0.011 0.000 0.244 516 K C -2.125 174.449 176.600 -0.043 0.000 1.014 516 K CA -1.880 54.350 56.287 -0.095 0.000 0.917 516 K CB 0.178 32.629 32.500 -0.082 0.000 1.072 516 K HN -0.226 nan 8.250 nan 0.000 0.477 517 P HA -0.016 nan 4.420 nan 0.000 0.271 517 P C -0.479 176.830 177.300 0.015 0.000 1.233 517 P CA -0.130 62.988 63.100 0.031 0.000 0.789 517 P CB 0.375 32.092 31.700 0.028 0.000 0.951 518 L N 1.480 122.728 121.223 0.040 0.000 2.700 518 L HA -0.079 4.268 4.340 0.011 0.000 0.276 518 L C 1.113 177.945 176.870 -0.064 0.000 1.200 518 L CA 0.860 55.677 54.840 -0.038 0.000 0.951 518 L CB -0.421 41.610 42.059 -0.046 0.000 1.226 518 L HN 0.474 nan 8.230 nan 0.000 0.489 519 E N 3.585 123.721 120.200 -0.107 0.000 2.171 519 E HA 0.364 4.721 4.350 0.011 0.000 0.271 519 E C -1.269 175.229 176.600 -0.169 0.000 0.916 519 E CA -0.795 55.541 56.400 -0.106 0.000 0.774 519 E CB 1.983 31.629 29.700 -0.090 0.000 1.128 519 E HN 0.286 nan 8.360 nan 0.000 0.403 520 V N 5.189 125.018 119.914 -0.141 0.000 2.461 520 V HA 0.361 4.488 4.120 0.011 0.000 0.275 520 V C 0.311 176.273 176.094 -0.220 0.000 1.047 520 V CA -0.161 62.035 62.300 -0.174 0.000 0.955 520 V CB 1.025 32.803 31.823 -0.073 0.000 0.988 520 V HN 0.684 nan 8.190 nan 0.000 0.471 521 R N 3.914 124.161 120.500 -0.422 0.000 2.873 521 R HA 0.729 5.075 4.340 0.011 0.000 0.264 521 R C -0.723 175.414 176.300 -0.271 0.000 1.026 521 R CA -0.974 54.864 56.100 -0.436 0.000 1.002 521 R CB 2.206 32.087 30.300 -0.699 0.000 1.174 521 R HN 0.592 nan 8.270 nan 0.000 0.488 522 R N 0.207 120.721 120.500 0.023 0.000 2.480 522 R HA 0.458 4.805 4.340 0.011 0.000 0.306 522 R C -0.830 175.670 176.300 0.333 0.000 0.958 522 R CA -0.559 55.652 56.100 0.186 0.000 0.861 522 R CB 2.139 32.492 30.300 0.089 0.000 1.171 522 R HN 0.896 nan 8.270 nan 0.000 0.445 523 G N 2.867 111.904 108.800 0.395 0.000 3.445 523 G HA2 -0.210 3.757 3.960 0.011 0.000 0.680 523 G HA3 -0.210 3.757 3.960 0.011 0.000 0.680 523 G C -0.745 174.294 174.900 0.232 0.000 0.972 523 G CA -0.896 44.373 45.100 0.281 0.000 0.798 523 G HN 0.530 nan 8.290 nan 0.000 0.461 524 L N 4.406 125.653 121.223 0.041 0.000 2.302 524 L HA 0.388 4.735 4.340 0.011 0.000 0.285 524 L C 1.520 178.370 176.870 -0.035 0.000 1.090 524 L CA -0.681 54.016 54.840 -0.239 0.000 0.866 524 L CB 0.095 41.898 42.059 -0.426 0.000 1.244 524 L HN 0.820 nan 8.230 nan 0.000 0.435 525 R N 2.736 123.259 120.500 0.038 0.000 3.184 525 R HA -0.286 4.060 4.340 0.011 0.000 0.242 525 R C 1.307 177.690 176.300 0.138 0.000 0.907 525 R CA 0.429 56.599 56.100 0.117 0.000 0.618 525 R CB -1.200 29.186 30.300 0.142 0.000 1.016 525 R HN 0.844 nan 8.270 nan 0.000 0.469 526 A N 0.621 123.520 122.820 0.130 0.000 1.877 526 A HA -0.246 4.081 4.320 0.011 0.000 0.216 526 A C 2.006 179.677 177.584 0.145 0.000 1.186 526 A CA 1.476 53.594 52.037 0.134 0.000 0.620 526 A CB -0.170 18.907 19.000 0.127 0.000 0.822 526 A HN 0.609 nan 8.150 nan 0.000 0.443 527 Q N -1.165 118.720 119.800 0.143 0.000 2.020 527 Q HA -0.148 4.198 4.340 0.011 0.000 0.202 527 Q C 2.241 178.370 176.000 0.215 0.000 0.982 527 Q CA 2.064 57.960 55.803 0.154 0.000 0.838 527 Q CB -0.391 28.422 28.738 0.125 0.000 0.899 527 Q HN 0.664 nan 8.270 nan 0.000 0.423 528 T N 0.047 114.753 114.554 0.254 0.000 2.821 528 T HA -0.132 4.225 4.350 0.011 0.000 0.267 528 T C 1.954 176.880 174.700 0.377 0.000 1.046 528 T CA 0.981 63.273 62.100 0.319 0.000 1.139 528 T CB -0.223 68.872 68.868 0.379 0.000 0.871 528 T HN 0.363 nan 8.240 nan 0.000 0.454 529 c N 1.578 120.368 118.600 0.317 0.000 2.432 529 c HA 0.188 4.765 4.570 0.011 0.000 0.280 529 c C 3.132 177.366 174.090 0.241 0.000 1.353 529 c CA 0.120 56.630 56.329 0.302 0.000 1.766 529 c CB -1.377 41.248 42.510 0.192 0.000 1.924 529 c HN 0.639 nan 8.230 nan 0.000 0.509 530 A N 0.131 123.069 122.820 0.195 0.000 1.930 530 A HA -0.168 4.159 4.320 0.011 0.000 0.217 530 A C 1.875 179.551 177.584 0.153 0.000 1.175 530 A CA 1.504 53.634 52.037 0.155 0.000 0.627 530 A CB -0.788 18.292 19.000 0.133 0.000 0.815 530 A HN 0.546 nan 8.150 nan 0.000 0.443 531 F N -0.802 119.133 119.950 -0.026 0.000 2.069 531 F HA -0.203 4.329 4.527 0.010 0.000 0.298 531 F C 1.956 177.684 175.800 -0.120 0.000 1.113 531 F CA 1.900 59.792 58.000 -0.179 0.000 1.214 531 F CB -0.507 38.092 39.000 -0.668 0.000 0.978 531 F HN 0.386 nan 8.300 nan 0.000 0.474 532 W N 0.444 121.698 121.300 -0.077 0.000 2.443 532 W HA -0.092 4.573 4.660 0.008 0.000 0.296 532 W C 2.219 178.677 176.519 -0.103 0.000 1.202 532 W CA 0.914 58.181 57.345 -0.131 0.000 1.312 532 W CB -0.470 29.049 29.460 0.098 0.000 1.120 532 W HN -0.064 nan 8.180 nan 0.000 0.536 533 N N -0.394 118.424 118.700 0.197 0.000 2.415 533 N HA 0.033 4.779 4.740 0.011 0.000 0.176 533 N C 1.446 176.984 175.510 0.047 0.000 1.042 533 N CA 0.895 54.010 53.050 0.108 0.000 0.902 533 N CB -0.110 38.439 38.487 0.104 0.000 0.986 533 N HN 0.229 nan 8.380 nan 0.000 0.447 534 R N -1.588 118.938 120.500 0.043 0.000 2.276 534 R HA 0.233 4.579 4.340 0.011 0.000 0.195 534 R C 1.256 177.576 176.300 0.033 0.000 0.908 534 R CA -0.024 56.102 56.100 0.042 0.000 1.083 534 R CB 0.073 30.418 30.300 0.076 0.000 1.182 534 R HN 0.047 nan 8.270 nan 0.000 0.608 535 F N 0.939 120.795 119.950 -0.157 0.000 2.243 535 F HA 0.116 4.650 4.527 0.011 0.000 0.287 535 F C 1.816 177.447 175.800 -0.282 0.000 1.067 535 F CA 0.674 58.554 58.000 -0.200 0.000 1.304 535 F CB -0.206 38.677 39.000 -0.196 0.000 1.087 535 F HN -0.164 nan 8.300 nan 0.000 0.513 536 L N 1.339 122.202 121.223 -0.600 0.000 2.043 536 L HA -0.140 4.207 4.340 0.011 0.000 0.212 536 L C -0.593 176.011 176.870 -0.442 0.000 1.075 536 L CA 2.235 56.666 54.840 -0.682 0.000 0.752 536 L CB -2.122 39.520 42.059 -0.696 0.000 0.891 536 L HN 0.100 nan 8.230 nan 0.000 0.432 537 P HA -0.191 nan 4.420 nan 0.000 0.216 537 P C 1.391 178.561 177.300 -0.216 0.000 1.153 537 P CA 1.568 64.564 63.100 -0.174 0.000 0.858 537 P CB -0.072 31.567 31.700 -0.102 0.000 0.789 538 K N -1.216 119.014 120.400 -0.284 0.000 2.217 538 K HA -0.064 4.263 4.320 0.011 0.000 0.202 538 K C 1.930 178.336 176.600 -0.322 0.000 1.051 538 K CA 0.736 56.868 56.287 -0.258 0.000 0.952 538 K CB -0.766 31.603 32.500 -0.219 0.000 0.736 538 K HN 0.113 nan 8.250 nan 0.000 0.453 539 L N 1.433 122.350 121.223 -0.509 0.000 2.027 539 L HA -0.081 4.266 4.340 0.011 0.000 0.206 539 L C 1.918 178.648 176.870 -0.234 0.000 1.074 539 L CA 1.471 56.055 54.840 -0.428 0.000 0.745 539 L CB -0.390 41.326 42.059 -0.571 0.000 0.898 539 L HN 0.063 nan 8.230 nan 0.000 0.433 540 L N -1.122 119.974 121.223 -0.212 0.000 2.362 540 L HA -0.114 4.233 4.340 0.011 0.000 0.219 540 L C 2.556 179.366 176.870 -0.100 0.000 1.134 540 L CA 1.011 55.774 54.840 -0.128 0.000 0.807 540 L CB -0.556 41.441 42.059 -0.104 0.000 0.927 540 L HN 0.422 nan 8.230 nan 0.000 0.447 541 S N -0.148 115.484 115.700 -0.113 0.000 2.341 541 S HA 0.104 4.581 4.470 0.011 0.000 0.216 541 S C 1.131 175.689 174.600 -0.070 0.000 1.034 541 S CA 0.430 58.580 58.200 -0.084 0.000 0.964 541 S CB 0.088 63.237 63.200 -0.084 0.000 0.882 541 S HN 0.282 nan 8.310 nan 0.000 0.469 542 A N 0.000 122.772 122.820 -0.081 0.000 2.254 542 A HA 0.000 4.327 4.320 0.011 0.000 0.244 542 A CA 0.000 52.002 52.037 -0.059 0.000 0.836 542 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486