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 2h9y_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 XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.020 0.000 1.382 1 E CA 0.000 56.415 56.400 0.026 0.000 0.976 1 E CB 0.000 29.715 29.700 0.026 0.000 0.812 2 G N 0.011 108.822 108.800 0.019 0.000 3.038 2 G HA2 -0.170 3.796 3.960 0.011 0.000 0.197 2 G HA3 -0.170 3.796 3.960 0.011 0.000 0.197 2 G C 0.551 175.461 174.900 0.016 0.000 1.925 2 G CA -0.004 45.105 45.100 0.015 0.000 1.405 2 G HN 0.178 nan 8.290 nan 0.000 0.524 3 R N 1.876 122.385 120.500 0.016 0.000 2.362 3 R HA 0.333 4.680 4.340 0.011 0.000 0.227 3 R C 0.365 176.676 176.300 0.019 0.000 0.905 3 R CA 0.285 56.394 56.100 0.015 0.000 1.067 3 R CB 0.414 30.721 30.300 0.011 0.000 1.078 3 R HN 0.622 nan 8.270 nan 0.000 0.516 4 E N 0.785 120.999 120.200 0.024 0.000 2.250 4 E HA 0.075 4.431 4.350 0.011 0.000 0.265 4 E C -0.616 176.009 176.600 0.040 0.000 1.033 4 E CA -0.808 55.609 56.400 0.029 0.000 0.888 4 E CB 0.847 30.566 29.700 0.032 0.000 1.151 4 E HN -0.159 nan 8.360 nan 0.000 0.412 5 D N 2.304 122.735 120.400 0.053 0.000 2.412 5 D HA -0.018 4.629 4.640 0.011 0.000 0.257 5 D C -1.427 174.916 176.300 0.072 0.000 1.217 5 D CA -1.655 52.392 54.000 0.079 0.000 0.897 5 D CB 0.829 41.702 40.800 0.122 0.000 1.132 5 D HN 0.143 nan 8.370 nan 0.000 0.493 6 P HA -0.143 nan 4.420 nan 0.000 0.221 6 P C 0.946 178.263 177.300 0.029 0.000 1.145 6 P CA 0.761 63.881 63.100 0.033 0.000 0.795 6 P CB 0.441 32.148 31.700 0.013 0.000 0.775 7 Q N -0.788 119.022 119.800 0.017 0.000 2.451 7 Q HA 0.118 4.465 4.340 0.011 0.000 0.206 7 Q C 1.761 177.848 176.000 0.146 0.000 0.947 7 Q CA 0.564 56.363 55.803 -0.007 0.000 0.937 7 Q CB 0.005 28.586 28.738 -0.262 0.000 1.025 7 Q HN 0.419 nan 8.270 nan 0.000 0.511 8 L N 0.088 121.411 121.223 0.167 0.000 2.640 8 L HA 0.226 4.573 4.340 0.011 0.000 0.230 8 L C 0.109 177.166 176.870 0.312 0.000 1.123 8 L CA 0.045 55.011 54.840 0.210 0.000 0.900 8 L CB 0.393 42.495 42.059 0.071 0.000 1.146 8 L HN -0.026 nan 8.230 nan 0.000 0.484 9 L N 0.758 122.118 121.223 0.228 0.000 2.298 9 L HA 0.577 4.924 4.340 0.011 0.000 0.284 9 L C -0.784 176.146 176.870 0.101 0.000 1.013 9 L CA -0.466 54.481 54.840 0.179 0.000 0.824 9 L CB 1.877 43.996 42.059 0.101 0.000 1.221 9 L HN -0.252 nan 8.230 nan 0.000 0.418 10 V N 3.056 123.007 119.914 0.061 0.000 2.971 10 V HA 0.496 4.622 4.120 0.011 0.000 0.309 10 V C -0.538 175.493 176.094 -0.105 0.000 1.130 10 V CA -0.760 61.439 62.300 -0.167 0.000 0.964 10 V CB 2.830 34.298 31.823 -0.591 0.000 1.029 10 V HN 0.738 nan 8.190 nan 0.000 0.427 11 R N 2.414 122.821 120.500 -0.154 0.000 2.393 11 R HA 0.809 5.156 4.340 0.011 0.000 0.310 11 R C -0.726 175.489 176.300 -0.142 0.000 0.968 11 R CA -0.325 55.723 56.100 -0.086 0.000 0.867 11 R CB 1.793 32.041 30.300 -0.085 0.000 1.124 11 R HN 0.724 nan 8.270 nan 0.000 0.450 12 V N 1.936 121.831 119.914 -0.032 0.000 3.284 12 V HA 0.508 4.634 4.120 0.011 0.000 0.309 12 V C 1.135 177.162 176.094 -0.111 0.000 1.190 12 V CA -0.901 61.371 62.300 -0.047 0.000 1.038 12 V CB 1.524 33.474 31.823 0.211 0.000 1.198 12 V HN 0.849 nan 8.190 nan 0.000 0.465 13 R N 1.079 121.496 120.500 -0.139 0.000 2.159 13 R HA 0.045 4.392 4.340 0.011 0.000 0.237 13 R C 1.744 177.919 176.300 -0.209 0.000 1.131 13 R CA 2.230 58.238 56.100 -0.152 0.000 0.982 13 R CB -1.136 29.084 30.300 -0.134 0.000 0.868 13 R HN 1.010 nan 8.270 nan 0.000 0.453 14 G N -1.843 106.790 108.800 -0.278 0.000 2.777 14 G HA2 0.406 4.372 3.960 0.011 0.000 0.211 14 G HA3 0.406 4.372 3.960 0.011 0.000 0.211 14 G C 0.300 174.302 174.900 -1.496 0.000 1.149 14 G CA 0.300 44.982 45.100 -0.697 0.000 0.785 14 G HN 0.707 nan 8.290 nan 0.000 0.536 15 G N -1.084 107.088 108.800 -1.046 0.000 2.350 15 G HA2 0.168 4.135 3.960 0.011 0.000 0.282 15 G HA3 0.168 4.135 3.960 0.011 0.000 0.282 15 G C -1.322 173.537 174.900 -0.069 0.000 1.314 15 G CA -0.961 43.627 45.100 -0.854 0.000 0.915 15 G HN 0.237 nan 8.290 nan 0.000 0.499 16 Q N -0.404 119.535 119.800 0.232 0.000 2.235 16 Q HA 0.684 5.030 4.340 0.011 0.000 0.250 16 Q C -0.471 175.826 176.000 0.494 0.000 0.909 16 Q CA -0.214 55.772 55.803 0.306 0.000 0.910 16 Q CB 1.714 30.568 28.738 0.193 0.000 1.223 16 Q HN 0.439 nan 8.270 nan 0.000 0.432 17 L N 1.636 123.071 121.223 0.353 0.000 2.354 17 L HA 0.622 4.968 4.340 0.011 0.000 0.269 17 L C -0.460 176.601 176.870 0.318 0.000 1.005 17 L CA -0.814 54.237 54.840 0.351 0.000 0.819 17 L CB 2.122 44.437 42.059 0.426 0.000 1.311 17 L HN 0.450 nan 8.230 nan 0.000 0.423 18 R N 0.712 121.368 120.500 0.260 0.000 2.409 18 R HA 0.609 4.955 4.340 0.011 0.000 0.313 18 R C -0.157 176.204 176.300 0.101 0.000 0.953 18 R CA -0.330 55.889 56.100 0.199 0.000 0.849 18 R CB 1.544 31.899 30.300 0.092 0.000 1.171 18 R HN 0.813 nan 8.270 nan 0.000 0.458 19 G N 3.373 112.137 108.800 -0.060 0.000 2.510 19 G HA2 0.397 4.363 3.960 0.011 0.000 0.280 19 G HA3 0.397 4.363 3.960 0.011 0.000 0.280 19 G C -0.822 173.828 174.900 -0.416 0.000 1.386 19 G CA -0.649 44.036 45.100 -0.692 0.000 1.047 19 G HN 0.592 nan 8.290 nan 0.000 0.527 20 I N -1.067 119.216 120.570 -0.480 0.000 2.686 20 I HA 0.484 4.660 4.170 0.011 0.000 0.295 20 I C -0.306 175.669 176.117 -0.237 0.000 1.114 20 I CA -1.095 60.036 61.300 -0.282 0.000 1.038 20 I CB 2.164 40.011 38.000 -0.255 0.000 1.238 20 I HN 0.420 nan 8.210 nan 0.000 0.420 21 R N 7.728 128.132 120.500 -0.161 0.000 2.202 21 R HA 0.537 4.884 4.340 0.011 0.000 0.334 21 R C -1.680 174.512 176.300 -0.180 0.000 1.036 21 R CA -0.380 55.610 56.100 -0.182 0.000 0.878 21 R CB 0.542 30.685 30.300 -0.261 0.000 1.067 21 R HN 0.630 nan 8.270 nan 0.000 0.457 22 L N 3.328 124.462 121.223 -0.147 0.000 2.334 22 L HA 0.454 4.801 4.340 0.011 0.000 0.272 22 L C 0.241 177.038 176.870 -0.123 0.000 1.020 22 L CA -1.034 53.739 54.840 -0.111 0.000 0.812 22 L CB 1.578 43.607 42.059 -0.050 0.000 1.264 22 L HN 0.360 nan 8.230 nan 0.000 0.439 23 K N 1.906 122.241 120.400 -0.108 0.000 2.248 23 K HA 0.620 4.947 4.320 0.011 0.000 0.281 23 K C -0.764 175.771 176.600 -0.110 0.000 1.054 23 K CA -0.150 56.077 56.287 -0.101 0.000 0.903 23 K CB 1.551 34.004 32.500 -0.077 0.000 1.077 23 K HN 0.718 nan 8.250 nan 0.000 0.474 24 A N 5.308 128.064 122.820 -0.108 0.000 2.330 24 A HA 0.551 4.877 4.320 0.011 0.000 0.329 24 A C -1.906 175.667 177.584 -0.018 0.000 1.135 24 A CA -1.572 50.390 52.037 -0.125 0.000 0.817 24 A CB 0.806 19.702 19.000 -0.173 0.000 1.269 24 A HN 0.420 nan 8.150 nan 0.000 0.469 25 P HA -0.146 nan 4.420 nan 0.000 0.216 25 P C 1.359 178.683 177.300 0.040 0.000 1.154 25 P CA 2.225 65.366 63.100 0.069 0.000 0.865 25 P CB 0.198 31.970 31.700 0.119 0.000 0.789 26 G N -2.350 106.476 108.800 0.043 0.000 2.985 26 G HA2 0.422 4.388 3.960 0.011 0.000 0.209 26 G HA3 0.422 4.388 3.960 0.011 0.000 0.209 26 G C 0.569 175.481 174.900 0.021 0.000 1.165 26 G CA 0.524 45.643 45.100 0.031 0.000 0.776 26 G HN 0.625 nan 8.290 nan 0.000 0.541 27 G N -0.614 108.189 108.800 0.006 0.000 2.369 27 G HA2 0.348 4.315 3.960 0.011 0.000 0.293 27 G HA3 0.348 4.315 3.960 0.011 0.000 0.293 27 G C -3.400 171.480 174.900 -0.033 0.000 1.301 27 G CA -0.668 44.428 45.100 -0.005 0.000 0.913 27 G HN 0.048 nan 8.290 nan 0.000 0.540 28 P HA 0.540 nan 4.420 nan 0.000 0.277 28 P C -0.025 177.264 177.300 -0.019 0.000 1.240 28 P CA -0.284 62.729 63.100 -0.146 0.000 0.798 28 P CB 1.661 33.111 31.700 -0.418 0.000 0.979 29 V N -1.217 118.689 119.914 -0.014 0.000 3.001 29 V HA 0.692 4.819 4.120 0.011 0.000 0.314 29 V C -0.395 175.786 176.094 0.145 0.000 1.099 29 V CA -0.929 61.450 62.300 0.132 0.000 0.989 29 V CB 1.794 33.700 31.823 0.138 0.000 1.040 29 V HN 0.442 nan 8.190 nan 0.000 0.434 30 S N 1.654 117.506 115.700 0.253 0.000 2.480 30 S HA 0.866 5.342 4.470 0.011 0.000 0.286 30 S C -0.011 174.606 174.600 0.027 0.000 1.180 30 S CA -0.025 58.271 58.200 0.161 0.000 1.075 30 S CB 1.257 64.659 63.200 0.335 0.000 0.996 30 S HN 1.571 nan 8.310 nan 0.000 0.487 31 A N 2.609 125.244 122.820 -0.309 0.000 2.356 31 A HA 0.799 5.126 4.320 0.011 0.000 0.310 31 A C -1.228 175.910 177.584 -0.743 0.000 1.075 31 A CA -0.642 51.086 52.037 -0.515 0.000 0.746 31 A CB 0.464 19.110 19.000 -0.590 0.000 1.221 31 A HN 0.682 nan 8.150 nan 0.000 0.443 32 F N 2.771 122.529 119.950 -0.319 0.000 2.359 32 F HA 0.468 5.001 4.527 0.010 0.000 0.369 32 F C -0.214 175.381 175.800 -0.342 0.000 1.084 32 F CA -0.278 57.606 58.000 -0.192 0.000 1.096 32 F CB 1.224 40.251 39.000 0.045 0.000 1.335 32 F HN 0.344 nan 8.300 nan 0.000 0.457 33 L N 2.172 123.210 121.223 -0.307 0.000 2.317 33 L HA 0.715 5.061 4.340 0.011 0.000 0.281 33 L C 0.863 177.604 176.870 -0.215 0.000 1.024 33 L CA -0.950 53.650 54.840 -0.399 0.000 0.810 33 L CB 1.721 43.331 42.059 -0.749 0.000 1.240 33 L HN 0.801 nan 8.230 nan 0.000 0.427 34 G N 3.188 111.925 108.800 -0.105 0.000 2.212 34 G HA2 -0.240 3.726 3.960 0.011 0.000 0.255 34 G HA3 -0.240 3.726 3.960 0.011 0.000 0.255 34 G C -0.169 174.747 174.900 0.026 0.000 1.062 34 G CA -0.428 44.626 45.100 -0.076 0.000 0.815 34 G HN 0.486 nan 8.290 nan 0.000 0.497 35 I N 2.131 122.738 120.570 0.062 0.000 2.379 35 I HA 0.235 4.411 4.170 0.011 0.000 0.290 35 I C -1.466 174.720 176.117 0.114 0.000 1.063 35 I CA -2.117 59.213 61.300 0.051 0.000 1.351 35 I CB 1.003 38.989 38.000 -0.023 0.000 1.410 35 I HN -0.017 nan 8.210 nan 0.000 0.505 36 P HA 0.044 nan 4.420 nan 0.000 0.276 36 P C -0.209 177.056 177.300 -0.059 0.000 1.235 36 P CA -0.016 62.979 63.100 -0.174 0.000 0.772 36 P CB 0.557 32.149 31.700 -0.180 0.000 0.871 37 F N 0.980 120.819 119.950 -0.186 0.000 2.706 37 F HA 0.713 5.247 4.527 0.011 0.000 0.313 37 F C 0.109 175.922 175.800 0.023 0.000 1.096 37 F CA -0.764 57.200 58.000 -0.059 0.000 1.219 37 F CB 0.152 39.042 39.000 -0.184 0.000 1.051 37 F HN 0.311 nan 8.300 nan 0.000 0.568 38 A N 0.132 122.674 122.820 -0.463 0.000 2.566 38 A HA 0.606 4.932 4.320 0.011 0.000 0.292 38 A C -0.771 176.663 177.584 -0.249 0.000 1.112 38 A CA -0.783 51.075 52.037 -0.299 0.000 0.707 38 A CB 1.039 19.769 19.000 -0.451 0.000 1.302 38 A HN 0.072 nan 8.150 nan 0.000 0.409 39 E N 1.228 121.352 120.200 -0.126 0.000 2.392 39 E HA 0.254 4.610 4.350 0.011 0.000 0.264 39 E C -2.313 174.192 176.600 -0.159 0.000 1.024 39 E CA -1.397 54.941 56.400 -0.103 0.000 0.903 39 E CB 0.048 29.724 29.700 -0.041 0.000 0.963 39 E HN 0.245 nan 8.360 nan 0.000 0.432 40 P HA -0.004 nan 4.420 nan 0.000 0.260 40 P C -2.223 175.008 177.300 -0.115 0.000 1.185 40 P CA -0.715 62.295 63.100 -0.149 0.000 0.763 40 P CB -0.121 31.527 31.700 -0.086 0.000 0.776 41 P HA 0.024 nan 4.420 nan 0.000 0.220 41 P C -0.383 176.853 177.300 -0.107 0.000 1.806 41 P CA 0.051 63.090 63.100 -0.102 0.000 0.976 41 P CB -0.066 31.576 31.700 -0.097 0.000 1.952 42 V N -2.523 117.336 119.914 -0.092 0.000 3.019 42 V HA 0.899 5.025 4.120 0.011 0.000 0.317 42 V C 0.921 176.968 176.094 -0.079 0.000 1.094 42 V CA 0.118 62.361 62.300 -0.094 0.000 1.000 42 V CB 0.959 32.736 31.823 -0.076 0.000 1.060 42 V HN 0.548 nan 8.190 nan 0.000 0.443 43 G N 2.871 111.623 108.800 -0.080 0.000 2.596 43 G HA2 -0.355 3.612 3.960 0.011 0.000 0.304 43 G HA3 -0.355 3.612 3.960 0.011 0.000 0.304 43 G C 1.275 176.141 174.900 -0.057 0.000 1.189 43 G CA 1.767 46.832 45.100 -0.058 0.000 0.986 43 G HN 2.381 nan 8.290 nan 0.000 0.548 44 S N 0.376 116.057 115.700 -0.032 0.000 2.507 44 S HA 0.011 4.487 4.470 0.011 0.000 0.235 44 S C 1.912 176.501 174.600 -0.018 0.000 0.988 44 S CA 1.713 59.904 58.200 -0.015 0.000 0.944 44 S CB -0.024 63.175 63.200 -0.002 0.000 0.762 44 S HN 0.607 nan 8.310 nan 0.000 0.526 45 R N 1.184 121.660 120.500 -0.041 0.000 2.310 45 R HA 0.275 4.621 4.340 0.011 0.000 0.202 45 R C 0.785 177.035 176.300 -0.083 0.000 0.933 45 R CA -0.094 55.981 56.100 -0.043 0.000 1.054 45 R CB -0.681 29.592 30.300 -0.044 0.000 0.985 45 R HN 0.515 nan 8.270 nan 0.000 0.489 46 R N 0.732 121.134 120.500 -0.163 0.000 2.570 46 R HA -0.095 4.252 4.340 0.011 0.000 0.277 46 R C -0.138 175.946 176.300 -0.360 0.000 1.039 46 R CA 0.373 56.242 56.100 -0.385 0.000 1.065 46 R CB 0.091 30.023 30.300 -0.612 0.000 0.964 46 R HN 0.075 nan 8.270 nan 0.000 0.428 47 F N -0.767 119.187 119.950 0.007 0.000 2.825 47 F HA -0.313 4.220 4.527 0.010 0.000 0.358 47 F C 0.132 175.915 175.800 -0.029 0.000 0.639 47 F CA 0.668 58.648 58.000 -0.033 0.000 1.153 47 F CB -1.535 37.433 39.000 -0.052 0.000 1.610 47 F HN 0.457 nan 8.300 nan 0.000 0.305 48 M N 1.184 120.839 119.600 0.092 0.000 2.409 48 M HA 0.391 4.877 4.480 0.011 0.000 0.329 48 M C -1.911 174.411 176.300 0.037 0.000 1.180 48 M CA -1.448 53.890 55.300 0.063 0.000 1.053 48 M CB 0.767 33.390 32.600 0.039 0.000 1.586 48 M HN -0.362 nan 8.290 nan 0.000 0.461 49 P HA 0.055 nan 4.420 nan 0.000 0.267 49 P C -2.449 174.875 177.300 0.040 0.000 1.201 49 P CA -0.476 62.651 63.100 0.045 0.000 0.775 49 P CB -0.630 31.106 31.700 0.060 0.000 0.854 50 P HA 0.144 nan 4.420 nan 0.000 0.275 50 P C -0.637 176.697 177.300 0.056 0.000 1.227 50 P CA 0.079 63.204 63.100 0.042 0.000 0.781 50 P CB 0.891 32.641 31.700 0.083 0.000 0.906 51 E N 3.742 123.961 120.200 0.031 0.000 2.204 51 E HA 0.375 4.732 4.350 0.011 0.000 0.276 51 E C -2.276 174.358 176.600 0.056 0.000 0.974 51 E CA -2.401 54.026 56.400 0.046 0.000 0.815 51 E CB 0.309 30.027 29.700 0.029 0.000 1.119 51 E HN 0.356 nan 8.360 nan 0.000 0.393 52 P HA -0.059 nan 4.420 nan 0.000 0.266 52 P C -0.570 176.792 177.300 0.104 0.000 1.195 52 P CA -0.179 62.998 63.100 0.128 0.000 0.768 52 P CB 0.419 32.201 31.700 0.137 0.000 0.838 53 K N 3.438 123.919 120.400 0.134 0.000 2.451 53 K HA 0.025 4.351 4.320 0.011 0.000 0.280 53 K C -0.036 176.662 176.600 0.164 0.000 1.020 53 K CA 0.417 56.787 56.287 0.138 0.000 1.008 53 K CB 0.111 32.735 32.500 0.206 0.000 0.917 53 K HN 0.253 nan 8.250 nan 0.000 0.478 54 R N 5.065 125.646 120.500 0.136 0.000 2.490 54 R HA 0.217 4.564 4.340 0.011 0.000 0.280 54 R C -2.045 174.336 176.300 0.136 0.000 1.077 54 R CA -1.683 54.481 56.100 0.107 0.000 1.065 54 R CB 0.335 30.683 30.300 0.080 0.000 1.003 54 R HN 0.578 nan 8.270 nan 0.000 0.470 55 P HA -0.120 nan 4.420 nan 0.000 0.264 55 P C -1.143 176.158 177.300 0.002 0.000 1.179 55 P CA 0.221 63.232 63.100 -0.148 0.000 0.763 55 P CB 0.273 31.859 31.700 -0.190 0.000 0.806 56 W N 1.465 122.801 121.300 0.059 0.000 2.578 56 W HA 0.682 5.348 4.660 0.010 0.000 0.364 56 W C -0.473 176.073 176.519 0.044 0.000 1.144 56 W CA -0.971 56.405 57.345 0.052 0.000 1.242 56 W CB 0.014 29.513 29.460 0.064 0.000 1.382 56 W HN 0.373 nan 8.180 nan 0.000 0.625 57 S N 1.278 117.147 115.700 0.282 0.000 2.549 57 S HA 0.835 5.311 4.470 0.011 0.000 0.297 57 S C 0.329 175.088 174.600 0.265 0.000 1.115 57 S CA 0.010 58.312 58.200 0.170 0.000 1.059 57 S CB 0.939 64.201 63.200 0.104 0.000 1.046 57 S HN 2.144 nan 8.310 nan 0.000 0.506 58 G N 0.545 109.458 108.800 0.188 0.000 2.693 58 G HA2 -0.140 3.827 3.960 0.011 0.000 0.226 58 G HA3 -0.140 3.827 3.960 0.011 0.000 0.226 58 G C -0.724 174.343 174.900 0.278 0.000 1.354 58 G CA -0.403 44.806 45.100 0.183 0.000 0.873 58 G HN 1.682 nan 8.290 nan 0.000 0.562 59 V N 0.837 120.872 119.914 0.202 0.000 2.348 59 V HA 0.499 4.626 4.120 0.011 0.000 0.270 59 V C 0.869 177.044 176.094 0.136 0.000 1.037 59 V CA -0.253 62.171 62.300 0.207 0.000 0.872 59 V CB 1.034 32.937 31.823 0.134 0.000 1.002 59 V HN 0.811 nan 8.190 nan 0.000 0.464 60 L N 4.599 125.889 121.223 0.111 0.000 2.410 60 L HA 0.248 4.594 4.340 0.011 0.000 0.273 60 L C 0.691 177.530 176.870 -0.052 0.000 1.152 60 L CA 0.437 55.186 54.840 -0.151 0.000 0.855 60 L CB 0.585 42.286 42.059 -0.596 0.000 1.129 60 L HN 0.695 nan 8.230 nan 0.000 0.463 61 D N 4.945 125.298 120.400 -0.080 0.000 2.344 61 D HA 0.120 4.767 4.640 0.011 0.000 0.253 61 D C -0.350 175.897 176.300 -0.087 0.000 1.255 61 D CA 0.018 53.981 54.000 -0.062 0.000 0.894 61 D CB 1.188 41.943 40.800 -0.074 0.000 1.067 61 D HN 0.685 nan 8.370 nan 0.000 0.492 62 A N 3.365 126.161 122.820 -0.041 0.000 3.159 62 A HA 0.172 4.498 4.320 0.011 0.000 0.301 62 A C 1.176 178.657 177.584 -0.171 0.000 1.271 62 A CA -0.429 51.572 52.037 -0.061 0.000 0.998 62 A CB -0.251 18.815 19.000 0.111 0.000 1.101 62 A HN 0.555 nan 8.150 nan 0.000 0.610 63 T N -4.051 110.387 114.554 -0.194 0.000 3.054 63 T HA 0.301 4.657 4.350 0.011 0.000 0.255 63 T C 0.496 175.028 174.700 -0.280 0.000 1.035 63 T CA 0.573 62.528 62.100 -0.241 0.000 0.941 63 T CB 0.155 68.918 68.868 -0.175 0.000 1.026 63 T HN 0.324 nan 8.240 nan 0.000 0.533 64 T N 0.559 114.943 114.554 -0.284 0.000 2.923 64 T HA 0.574 4.931 4.350 0.011 0.000 0.311 64 T C -1.491 173.039 174.700 -0.282 0.000 1.183 64 T CA -0.814 61.114 62.100 -0.286 0.000 1.020 64 T CB 0.683 69.454 68.868 -0.161 0.000 1.165 64 T HN 0.098 nan 8.240 nan 0.000 0.482 65 F N 3.045 122.920 119.950 -0.124 0.000 2.563 65 F HA 0.297 4.831 4.527 0.011 0.000 0.363 65 F C 1.440 177.137 175.800 -0.171 0.000 1.123 65 F CA 0.077 58.006 58.000 -0.118 0.000 1.307 65 F CB 0.557 39.518 39.000 -0.066 0.000 1.115 65 F HN 0.395 nan 8.300 nan 0.000 0.592 66 Q N 1.374 121.170 119.800 -0.005 0.000 2.162 66 Q HA 0.223 4.570 4.340 0.011 0.000 0.197 66 Q C -0.197 175.727 176.000 -0.127 0.000 1.013 66 Q CA -0.797 54.855 55.803 -0.250 0.000 1.040 66 Q CB 0.576 28.858 28.738 -0.760 0.000 1.114 66 Q HN 0.513 nan 8.270 nan 0.000 0.547 67 N N -0.173 118.424 118.700 -0.173 0.000 2.345 67 N HA -0.006 4.741 4.740 0.011 0.000 0.243 67 N C -0.518 174.984 175.510 -0.013 0.000 1.246 67 N CA 0.186 53.194 53.050 -0.070 0.000 0.863 67 N CB 0.321 38.787 38.487 -0.034 0.000 1.096 67 N HN 0.169 nan 8.380 nan 0.000 0.446 68 V N 1.607 121.487 119.914 -0.057 0.000 2.567 68 V HA 0.118 4.244 4.120 0.011 0.000 0.289 68 V C 0.655 176.710 176.094 -0.066 0.000 1.049 68 V CA -0.854 61.403 62.300 -0.072 0.000 0.969 68 V CB 1.283 33.026 31.823 -0.135 0.000 0.995 68 V HN 0.713 nan 8.190 nan 0.000 0.471 69 c N 3.752 122.331 118.600 -0.037 0.000 2.657 69 c HA 0.126 4.703 4.570 0.011 0.000 0.420 69 c C 0.446 174.506 174.090 -0.050 0.000 1.323 69 c CA -0.529 55.786 56.329 -0.024 0.000 1.894 69 c CB -0.906 41.620 42.510 0.026 0.000 2.681 69 c HN 0.761 nan 8.230 nan 0.000 0.613 70 Y N 3.711 123.885 120.300 -0.209 0.000 2.632 70 Y HA 0.268 4.824 4.550 0.011 0.000 0.329 70 Y C 0.792 176.712 175.900 0.034 0.000 1.174 70 Y CA 0.931 58.902 58.100 -0.215 0.000 1.469 70 Y CB 0.159 38.265 38.460 -0.590 0.000 1.242 70 Y HN 0.738 nan 8.280 nan 0.000 0.540 71 Q N 4.198 124.090 119.800 0.154 0.000 2.522 71 Q HA 0.201 4.548 4.340 0.011 0.000 0.285 71 Q C -1.821 174.365 176.000 0.310 0.000 0.982 71 Q CA -1.221 54.770 55.803 0.313 0.000 0.805 71 Q CB 1.225 30.082 28.738 0.200 0.000 1.457 71 Q HN 0.682 nan 8.270 nan 0.000 0.394 72 Y N 1.322 121.825 120.300 0.339 0.000 2.717 72 Y HA 0.305 4.861 4.550 0.010 0.000 0.330 72 Y C -1.036 175.041 175.900 0.294 0.000 1.217 72 Y CA 0.348 58.660 58.100 0.353 0.000 1.506 72 Y CB 0.777 39.546 38.460 0.514 0.000 1.268 72 Y HN 0.439 nan 8.280 nan 0.000 0.561 73 V N 7.075 126.711 119.914 -0.463 0.000 2.384 73 V HA 0.108 4.234 4.120 0.011 0.000 0.287 73 V C -0.412 175.336 176.094 -0.577 0.000 1.020 73 V CA -1.047 61.048 62.300 -0.342 0.000 0.850 73 V CB 1.365 33.074 31.823 -0.189 0.000 0.987 73 V HN 0.792 nan 8.190 nan 0.000 0.436 74 D N 3.183 123.459 120.400 -0.206 0.000 2.458 74 D HA 0.037 4.683 4.640 0.011 0.000 0.243 74 D C 0.701 177.007 176.300 0.010 0.000 1.146 74 D CA 0.805 54.810 54.000 0.009 0.000 0.877 74 D CB 1.455 42.414 40.800 0.265 0.000 1.176 74 D HN 0.608 nan 8.370 nan 0.000 0.461 75 T N 3.328 117.899 114.554 0.028 0.000 3.170 75 T HA 0.049 4.405 4.350 0.011 0.000 0.288 75 T C 1.362 176.066 174.700 0.008 0.000 0.992 75 T CA -0.338 61.771 62.100 0.015 0.000 0.909 75 T CB -0.198 68.654 68.868 -0.028 0.000 1.133 75 T HN 0.308 nan 8.240 nan 0.000 0.530 76 L N 0.951 122.176 121.223 0.003 0.000 2.056 76 L HA 0.227 4.573 4.340 0.011 0.000 0.207 76 L C -0.304 176.300 176.870 -0.444 0.000 1.078 76 L CA 1.819 56.499 54.840 -0.267 0.000 0.749 76 L CB -0.160 41.645 42.059 -0.423 0.000 0.901 76 L HN 0.293 nan 8.230 nan 0.000 0.433 77 Y N 1.044 121.388 120.300 0.074 0.000 2.748 77 Y HA 0.430 4.986 4.550 0.011 0.000 0.359 77 Y C -2.207 173.748 175.900 0.090 0.000 1.030 77 Y CA -3.527 54.589 58.100 0.027 0.000 1.169 77 Y CB -0.259 38.172 38.460 -0.049 0.000 1.127 77 Y HN 0.125 nan 8.280 nan 0.000 0.644 78 P HA 0.224 nan 4.420 nan 0.000 0.275 78 P C 0.942 178.312 177.300 0.117 0.000 1.228 78 P CA 0.735 63.905 63.100 0.116 0.000 0.786 78 P CB 1.740 33.474 31.700 0.057 0.000 0.927 79 G N 1.555 110.406 108.800 0.086 0.000 2.199 79 G HA2 -0.273 3.694 3.960 0.011 0.000 0.254 79 G HA3 -0.273 3.694 3.960 0.011 0.000 0.254 79 G C -0.282 174.669 174.900 0.086 0.000 0.982 79 G CA -0.095 45.041 45.100 0.060 0.000 0.632 79 G HN 0.569 nan 8.290 nan 0.000 0.529 80 F N 1.940 121.852 119.950 -0.064 0.000 2.405 80 F HA 0.675 5.208 4.527 0.010 0.000 0.355 80 F C 1.249 176.955 175.800 -0.156 0.000 1.121 80 F CA -0.886 57.030 58.000 -0.140 0.000 1.112 80 F CB 1.675 40.569 39.000 -0.176 0.000 1.126 80 F HN 0.096 nan 8.300 nan 0.000 0.481 81 E N 3.923 123.692 120.200 -0.717 0.000 2.118 81 E HA -0.096 4.260 4.350 0.011 0.000 0.195 81 E C 2.131 178.244 176.600 -0.813 0.000 0.992 81 E CA 1.949 57.960 56.400 -0.648 0.000 0.804 81 E CB -0.498 28.890 29.700 -0.519 0.000 0.741 81 E HN 0.889 nan 8.360 nan 0.000 0.458 82 G N -0.783 107.030 108.800 -1.645 0.000 2.450 82 G HA2 -0.303 3.663 3.960 0.011 0.000 0.220 82 G HA3 -0.303 3.663 3.960 0.011 0.000 0.220 82 G C 1.697 176.595 174.900 -0.004 0.000 1.130 82 G CA 1.688 46.129 45.100 -1.099 0.000 0.760 82 G HN 0.504 nan 8.290 nan 0.000 0.557 83 T N -2.301 112.276 114.554 0.038 0.000 3.033 83 T HA 0.148 4.505 4.350 0.011 0.000 0.248 83 T C 1.904 176.757 174.700 0.255 0.000 1.040 83 T CA 0.722 63.129 62.100 0.513 0.000 1.133 83 T CB 0.052 69.299 68.868 0.632 0.000 0.895 83 T HN 0.122 nan 8.240 nan 0.000 0.465 84 E N 2.219 122.428 120.200 0.016 0.000 2.204 84 E HA -0.083 4.273 4.350 0.011 0.000 0.194 84 E C 2.247 178.746 176.600 -0.169 0.000 0.989 84 E CA 1.288 57.656 56.400 -0.053 0.000 0.824 84 E CB -0.474 29.166 29.700 -0.100 0.000 0.756 84 E HN 0.797 nan 8.360 nan 0.000 0.477 85 M N -2.176 117.223 119.600 -0.334 0.000 2.346 85 M HA -0.104 4.383 4.480 0.011 0.000 0.263 85 M C 1.304 177.198 176.300 -0.677 0.000 1.064 85 M CA 1.523 56.471 55.300 -0.586 0.000 1.083 85 M CB -0.593 31.521 32.600 -0.809 0.000 1.399 85 M HN 0.010 nan 8.290 nan 0.000 0.435 86 W N 0.887 122.117 121.300 -0.116 0.000 3.211 86 W HA 0.278 4.944 4.660 0.010 0.000 0.292 86 W C 0.303 176.743 176.519 -0.131 0.000 1.268 86 W CA -1.009 56.253 57.345 -0.138 0.000 1.702 86 W CB -0.121 29.312 29.460 -0.046 0.000 1.092 86 W HN 0.105 nan 8.180 nan 0.000 0.643 87 N N 1.561 120.294 118.700 0.055 0.000 2.467 87 N HA 0.158 4.904 4.740 0.011 0.000 0.262 87 N C -2.451 173.008 175.510 -0.085 0.000 1.234 87 N CA -1.653 51.398 53.050 0.002 0.000 0.952 87 N CB -0.246 38.239 38.487 -0.004 0.000 1.158 87 N HN -0.340 nan 8.380 nan 0.000 0.463 88 P HA 0.044 nan 4.420 nan 0.000 0.262 88 P C 0.169 177.385 177.300 -0.141 0.000 1.182 88 P CA 0.091 63.107 63.100 -0.139 0.000 0.761 88 P CB 0.280 31.895 31.700 -0.142 0.000 0.795 89 N N 2.189 120.791 118.700 -0.163 0.000 2.204 89 N HA 0.089 4.835 4.740 0.011 0.000 0.219 89 N C 0.177 175.615 175.510 -0.120 0.000 1.151 89 N CA -0.017 52.945 53.050 -0.147 0.000 0.867 89 N CB 0.431 38.810 38.487 -0.180 0.000 1.043 89 N HN 0.151 nan 8.380 nan 0.000 0.516 90 R N 0.128 120.556 120.500 -0.119 0.000 2.869 90 R HA 0.280 4.627 4.340 0.011 0.000 0.263 90 R C -0.639 175.599 176.300 -0.104 0.000 1.066 90 R CA -0.687 55.358 56.100 -0.092 0.000 0.960 90 R CB 0.991 31.248 30.300 -0.072 0.000 1.221 90 R HN 0.282 nan 8.270 nan 0.000 0.474 91 E N 1.417 121.562 120.200 -0.093 0.000 2.452 91 E HA 0.013 4.369 4.350 0.011 0.000 0.261 91 E C -0.499 176.024 176.600 -0.130 0.000 0.987 91 E CA -0.043 56.296 56.400 -0.101 0.000 0.926 91 E CB 0.546 30.200 29.700 -0.076 0.000 0.934 91 E HN 0.275 nan 8.360 nan 0.000 0.452 92 L N 3.683 124.788 121.223 -0.196 0.000 2.360 92 L HA 0.196 4.543 4.340 0.011 0.000 0.276 92 L C 0.269 177.035 176.870 -0.173 0.000 1.121 92 L CA 0.098 54.748 54.840 -0.316 0.000 0.845 92 L CB 1.053 42.695 42.059 -0.694 0.000 1.143 92 L HN 0.438 nan 8.230 nan 0.000 0.452 93 S N 1.396 117.062 115.700 -0.057 0.000 2.547 93 S HA 0.222 4.699 4.470 0.011 0.000 0.270 93 S C 0.323 174.935 174.600 0.021 0.000 1.150 93 S CA -0.660 57.581 58.200 0.068 0.000 0.850 93 S CB 1.701 64.914 63.200 0.020 0.000 1.118 93 S HN 0.734 nan 8.310 nan 0.000 0.461 94 E N 0.825 120.998 120.200 -0.046 0.000 2.274 94 E HA -0.054 4.302 4.350 0.011 0.000 0.194 94 E C -0.375 176.166 176.600 -0.099 0.000 0.996 94 E CA 0.454 56.746 56.400 -0.179 0.000 0.840 94 E CB 0.136 29.678 29.700 -0.262 0.000 0.772 94 E HN 0.507 nan 8.360 nan 0.000 0.491 95 D N 0.262 120.642 120.400 -0.033 0.000 2.453 95 D HA 0.001 4.648 4.640 0.011 0.000 0.223 95 D C 0.030 176.411 176.300 0.134 0.000 1.183 95 D CA -0.277 53.732 54.000 0.015 0.000 0.933 95 D CB 0.147 40.977 40.800 0.048 0.000 1.038 95 D HN 0.133 nan 8.370 nan 0.000 0.513 96 c N 2.722 121.364 118.600 0.070 0.000 3.935 96 c HA 0.363 4.939 4.570 0.011 0.000 0.301 96 c C 0.488 174.639 174.090 0.102 0.000 1.874 96 c CA -0.641 55.797 56.329 0.181 0.000 1.723 96 c CB -1.176 41.377 42.510 0.073 0.000 3.192 96 c HN 0.450 nan 8.230 nan 0.000 0.577 97 L N 2.604 123.621 121.223 -0.344 0.000 2.387 97 L HA 0.437 4.783 4.340 0.011 0.000 0.267 97 L C -0.940 175.340 176.870 -0.984 0.000 1.197 97 L CA 0.397 54.852 54.840 -0.643 0.000 1.070 97 L CB -0.549 40.981 42.059 -0.882 0.000 1.349 97 L HN 0.386 nan 8.230 nan 0.000 0.422 98 Y N 2.016 122.306 120.300 -0.017 0.000 2.576 98 Y HA 0.673 5.229 4.550 0.010 0.000 0.346 98 Y C -0.092 175.997 175.900 0.316 0.000 1.018 98 Y CA -1.199 56.959 58.100 0.097 0.000 1.050 98 Y CB 2.050 40.519 38.460 0.014 0.000 1.280 98 Y HN 0.209 nan 8.280 nan 0.000 0.474 99 L N -0.338 121.065 121.223 0.300 0.000 2.341 99 L HA 0.778 5.124 4.340 0.011 0.000 0.254 99 L C -1.448 175.412 176.870 -0.017 0.000 1.040 99 L CA -1.139 53.760 54.840 0.097 0.000 0.837 99 L CB 1.899 43.851 42.059 -0.178 0.000 1.425 99 L HN 0.477 nan 8.230 nan 0.000 0.414 100 N N 0.124 118.813 118.700 -0.017 0.000 2.238 100 N HA 0.754 5.500 4.740 0.011 0.000 0.302 100 N C -1.552 173.856 175.510 -0.170 0.000 1.072 100 N CA -0.410 52.548 53.050 -0.153 0.000 0.792 100 N CB 2.893 41.322 38.487 -0.097 0.000 1.425 100 N HN 0.527 nan 8.380 nan 0.000 0.478 101 V N 1.488 121.214 119.914 -0.313 0.000 2.525 101 V HA 0.447 4.573 4.120 0.011 0.000 0.299 101 V C -0.809 175.206 176.094 -0.131 0.000 1.034 101 V CA -0.829 61.385 62.300 -0.143 0.000 0.863 101 V CB 2.114 33.711 31.823 -0.378 0.000 0.999 101 V HN 0.546 nan 8.190 nan 0.000 0.423 102 W N 2.881 124.261 121.300 0.132 0.000 2.520 102 W HA 0.705 5.372 4.660 0.012 0.000 0.323 102 W C 0.228 176.847 176.519 0.166 0.000 1.062 102 W CA -0.436 56.996 57.345 0.145 0.000 1.215 102 W CB 2.422 31.949 29.460 0.112 0.000 1.340 102 W HN 0.650 nan 8.180 nan 0.000 0.516 103 T N -0.034 114.766 114.554 0.410 0.000 2.864 103 T HA 0.496 4.853 4.350 0.011 0.000 0.299 103 T C -2.838 172.035 174.700 0.287 0.000 1.166 103 T CA -2.384 59.913 62.100 0.328 0.000 1.007 103 T CB 2.184 71.262 68.868 0.351 0.000 1.219 103 T HN -0.085 nan 8.240 nan 0.000 0.506 104 P HA 0.172 nan 4.420 nan 0.000 0.269 104 P C -1.550 175.894 177.300 0.240 0.000 1.211 104 P CA -0.069 63.150 63.100 0.199 0.000 0.781 104 P CB 0.074 31.859 31.700 0.141 0.000 0.877 105 Y N 2.653 123.009 120.300 0.093 0.000 2.326 105 Y HA 0.404 4.961 4.550 0.010 0.000 0.329 105 Y C -2.174 173.761 175.900 0.058 0.000 0.973 105 Y CA -2.486 55.661 58.100 0.079 0.000 1.162 105 Y CB 1.130 39.625 38.460 0.059 0.000 1.147 105 Y HN 0.333 nan 8.280 nan 0.000 0.456 106 P HA 0.204 nan 4.420 nan 0.000 0.272 106 P C -0.852 176.413 177.300 -0.057 0.000 1.240 106 P CA -0.320 62.609 63.100 -0.284 0.000 0.791 106 P CB 1.061 32.629 31.700 -0.219 0.000 0.978 107 R N 1.192 121.670 120.500 -0.036 0.000 2.679 107 R HA 0.168 4.515 4.340 0.011 0.000 0.268 107 R C -1.656 174.667 176.300 0.037 0.000 1.044 107 R CA -1.058 55.076 56.100 0.056 0.000 1.105 107 R CB -0.657 29.690 30.300 0.078 0.000 0.989 107 R HN 0.481 nan 8.270 nan 0.000 0.447 108 P HA -0.013 nan 4.420 nan 0.000 0.268 108 P C -0.323 176.992 177.300 0.026 0.000 1.205 108 P CA 0.120 63.247 63.100 0.044 0.000 0.771 108 P CB 1.004 32.738 31.700 0.058 0.000 0.858 109 A N 2.894 125.722 122.820 0.015 0.000 1.968 109 A HA 0.019 4.346 4.320 0.011 0.000 0.217 109 A C 1.153 178.740 177.584 0.004 0.000 1.169 109 A CA 1.218 53.258 52.037 0.004 0.000 0.638 109 A CB -0.684 18.317 19.000 0.001 0.000 0.812 109 A HN 0.699 nan 8.150 nan 0.000 0.446 110 S N -0.536 115.170 115.700 0.010 0.000 2.578 110 S HA 0.638 5.114 4.470 0.011 0.000 0.301 110 S C -3.192 171.416 174.600 0.014 0.000 1.091 110 S CA -1.852 56.352 58.200 0.007 0.000 1.032 110 S CB 1.317 64.519 63.200 0.003 0.000 1.064 110 S HN 0.018 nan 8.310 nan 0.000 0.508 111 P HA 0.262 nan 4.420 nan 0.000 0.267 111 P C -0.678 176.634 177.300 0.020 0.000 1.209 111 P CA 0.080 63.190 63.100 0.018 0.000 0.763 111 P CB 0.260 31.963 31.700 0.005 0.000 0.816 112 T N 5.314 119.892 114.554 0.039 0.000 2.824 112 T HA 0.412 4.768 4.350 0.011 0.000 0.280 112 T C -2.431 172.294 174.700 0.041 0.000 0.995 112 T CA -1.823 60.301 62.100 0.040 0.000 1.009 112 T CB 0.813 69.717 68.868 0.061 0.000 0.955 112 T HN 0.162 nan 8.240 nan 0.000 0.452 113 P HA 0.096 nan 4.420 nan 0.000 0.264 113 P C -0.896 176.438 177.300 0.057 0.000 1.179 113 P CA -0.125 62.986 63.100 0.019 0.000 0.763 113 P CB 0.349 32.044 31.700 -0.009 0.000 0.806 114 V N 4.966 124.929 119.914 0.081 0.000 2.483 114 V HA 0.342 4.468 4.120 0.011 0.000 0.295 114 V C 0.300 176.475 176.094 0.136 0.000 1.035 114 V CA -0.523 61.853 62.300 0.126 0.000 0.896 114 V CB 1.317 33.232 31.823 0.154 0.000 0.986 114 V HN 0.345 nan 8.190 nan 0.000 0.447 115 L N 5.689 127.007 121.223 0.159 0.000 2.313 115 L HA 0.607 4.953 4.340 0.011 0.000 0.283 115 L C -0.703 176.404 176.870 0.395 0.000 1.013 115 L CA -0.353 54.605 54.840 0.196 0.000 0.816 115 L CB 1.715 43.782 42.059 0.012 0.000 1.236 115 L HN 0.497 nan 8.230 nan 0.000 0.419 116 I N 2.969 123.814 120.570 0.458 0.000 2.382 116 I HA 0.223 4.400 4.170 0.011 0.000 0.286 116 I C -0.607 175.802 176.117 0.488 0.000 1.002 116 I CA -0.423 61.120 61.300 0.403 0.000 1.135 116 I CB 1.491 39.606 38.000 0.193 0.000 1.288 116 I HN 0.635 nan 8.210 nan 0.000 0.448 117 W N 8.567 129.974 121.300 0.179 0.000 2.351 117 W HA 0.571 5.237 4.660 0.009 0.000 0.311 117 W C -1.514 174.903 176.519 -0.169 0.000 1.168 117 W CA -0.611 56.594 57.345 -0.233 0.000 1.200 117 W CB 1.209 30.553 29.460 -0.193 0.000 1.221 117 W HN 0.357 nan 8.180 nan 0.000 0.519 118 I N 9.095 129.017 120.570 -1.080 0.000 2.420 118 I HA 0.073 4.249 4.170 0.011 0.000 0.282 118 I C -0.241 175.041 176.117 -1.392 0.000 1.019 118 I CA -1.111 59.616 61.300 -0.956 0.000 1.130 118 I CB 0.641 38.260 38.000 -0.636 0.000 1.262 118 I HN 0.306 nan 8.210 nan 0.000 0.454 119 Y N 4.531 124.285 120.300 -0.909 0.000 2.511 119 Y HA 0.639 5.196 4.550 0.010 0.000 0.347 119 Y C 0.776 176.480 175.900 -0.327 0.000 1.257 119 Y CA -0.616 57.097 58.100 -0.644 0.000 1.469 119 Y CB -0.012 38.322 38.460 -0.210 0.000 1.353 119 Y HN 0.513 nan 8.280 nan 0.000 0.617 120 G N -0.919 107.865 108.800 -0.027 0.000 2.702 120 G HA2 0.504 4.470 3.960 0.011 0.000 0.254 120 G HA3 0.504 4.470 3.960 0.011 0.000 0.254 120 G C 0.220 175.059 174.900 -0.101 0.000 1.380 120 G CA -0.976 44.045 45.100 -0.132 0.000 1.042 120 G HN 1.718 nan 8.290 nan 0.000 0.557 121 G N -2.699 105.879 108.800 -0.369 0.000 2.244 121 G HA2 0.405 4.372 3.960 0.011 0.000 0.163 121 G HA3 0.405 4.372 3.960 0.011 0.000 0.163 121 G C 1.049 175.372 174.900 -0.961 0.000 1.064 121 G CA 0.706 45.456 45.100 -0.583 0.000 0.757 121 G HN 2.353 nan 8.290 nan 0.000 0.484 122 G N -0.547 107.697 108.800 -0.927 0.000 2.187 122 G HA2 -0.127 3.840 3.960 0.011 0.000 0.261 122 G HA3 -0.127 3.840 3.960 0.011 0.000 0.261 122 G C 0.918 175.533 174.900 -0.475 0.000 1.000 122 G CA 0.824 45.170 45.100 -1.257 0.000 0.718 122 G HN 1.832 nan 8.290 nan 0.000 0.519 123 F N -3.309 116.492 119.950 -0.249 0.000 2.871 123 F HA -0.318 4.216 4.527 0.010 0.000 0.326 123 F C 1.438 177.310 175.800 0.120 0.000 0.675 123 F CA 2.145 60.117 58.000 -0.046 0.000 1.188 123 F CB -2.121 36.698 39.000 -0.302 0.000 1.567 123 F HN 0.901 nan 8.300 nan 0.000 0.325 124 Y N -1.271 119.113 120.300 0.140 0.000 2.500 124 Y HA 0.661 5.217 4.550 0.010 0.000 0.246 124 Y C 0.562 176.584 175.900 0.204 0.000 1.146 124 Y CA 0.191 58.405 58.100 0.189 0.000 1.230 124 Y CB -0.010 38.508 38.460 0.097 0.000 1.214 124 Y HN 0.071 nan 8.280 nan 0.000 0.526 125 S N -0.783 114.719 115.700 -0.330 0.000 2.656 125 S HA 0.890 5.366 4.470 0.011 0.000 0.273 125 S C -0.200 174.269 174.600 -0.219 0.000 1.168 125 S CA -0.550 57.514 58.200 -0.226 0.000 0.817 125 S CB 1.554 64.558 63.200 -0.327 0.000 1.146 125 S HN 1.333 nan 8.310 nan 0.000 0.475 126 G N -0.738 107.895 108.800 -0.279 0.000 2.459 126 G HA2 0.542 4.508 3.960 0.011 0.000 0.685 126 G HA3 0.542 4.508 3.960 0.011 0.000 0.685 126 G C -0.716 173.553 174.900 -1.052 0.000 1.303 126 G CA -0.169 44.579 45.100 -0.587 0.000 0.907 126 G HN 2.126 nan 8.290 nan 0.000 0.632 127 A N -0.831 121.272 122.820 -1.195 0.000 2.604 127 A HA 1.017 5.343 4.320 0.011 0.000 0.295 127 A C 0.647 178.044 177.584 -0.312 0.000 1.067 127 A CA 0.524 52.089 52.037 -0.787 0.000 0.683 127 A CB 1.059 19.846 19.000 -0.355 0.000 1.281 127 A HN 2.577 nan 8.150 nan 0.000 0.407 128 A N 0.364 123.240 122.820 0.094 0.000 2.206 128 A HA 0.244 4.570 4.320 0.011 0.000 0.211 128 A C 1.709 179.364 177.584 0.119 0.000 1.158 128 A CA 1.783 54.044 52.037 0.373 0.000 0.761 128 A CB -0.569 18.717 19.000 0.476 0.000 0.801 128 A HN 1.758 nan 8.150 nan 0.000 0.473 129 S N -0.615 114.918 115.700 -0.279 0.000 2.548 129 S HA 0.301 4.777 4.470 0.011 0.000 0.215 129 S C 0.533 174.666 174.600 -0.778 0.000 0.976 129 S CA -0.445 57.113 58.200 -1.069 0.000 0.908 129 S CB -0.567 62.029 63.200 -1.006 0.000 0.781 129 S HN 0.376 nan 8.310 nan 0.000 0.519 130 L N 2.380 123.340 121.223 -0.440 0.000 2.483 130 L HA 0.142 4.488 4.340 0.011 0.000 0.276 130 L C 1.168 177.725 176.870 -0.523 0.000 1.213 130 L CA -0.428 54.110 54.840 -0.503 0.000 0.843 130 L CB 0.202 41.864 42.059 -0.661 0.000 1.107 130 L HN 0.061 nan 8.230 nan 0.000 0.487 131 D N 1.058 121.180 120.400 -0.464 0.000 2.144 131 D HA -0.134 4.513 4.640 0.011 0.000 0.199 131 D C 2.055 178.092 176.300 -0.439 0.000 0.984 131 D CA 1.285 55.076 54.000 -0.348 0.000 0.834 131 D CB -0.029 40.605 40.800 -0.277 0.000 0.955 131 D HN 0.530 nan 8.370 nan 0.000 0.465 132 V N -0.985 118.526 119.914 -0.672 0.000 2.720 132 V HA -0.208 3.919 4.120 0.011 0.000 0.256 132 V C 1.336 176.876 176.094 -0.924 0.000 1.082 132 V CA 1.205 63.060 62.300 -0.742 0.000 1.101 132 V CB -1.207 30.094 31.823 -0.870 0.000 0.693 132 V HN 0.087 nan 8.190 nan 0.000 0.479 133 Y N 0.243 120.004 120.300 -0.899 0.000 2.532 133 Y HA 0.432 4.989 4.550 0.010 0.000 0.283 133 Y C 0.867 176.206 175.900 -0.936 0.000 1.181 133 Y CA -1.812 55.412 58.100 -1.460 0.000 1.256 133 Y CB -0.950 37.020 38.460 -0.816 0.000 1.112 133 Y HN 0.240 nan 8.280 nan 0.000 0.521 134 D N 0.889 121.009 120.400 -0.466 0.000 2.389 134 D HA 0.019 4.666 4.640 0.011 0.000 0.263 134 D C 1.434 177.417 176.300 -0.528 0.000 1.255 134 D CA 0.445 54.236 54.000 -0.348 0.000 0.914 134 D CB 1.120 41.855 40.800 -0.109 0.000 1.116 134 D HN 0.474 nan 8.370 nan 0.000 0.502 135 G N 4.008 111.885 108.800 -1.538 0.000 2.848 135 G HA2 -0.189 3.777 3.960 0.011 0.000 0.208 135 G HA3 -0.189 3.777 3.960 0.011 0.000 0.208 135 G C 1.500 175.857 174.900 -0.905 0.000 1.152 135 G CA 0.317 44.699 45.100 -1.195 0.000 0.789 135 G HN 0.620 nan 8.290 nan 0.000 0.531 136 R N -0.766 119.167 120.500 -0.944 0.000 2.092 136 R HA 0.023 4.369 4.340 0.011 0.000 0.231 136 R C 1.732 177.784 176.300 -0.415 0.000 1.119 136 R CA 1.178 56.944 56.100 -0.556 0.000 0.970 136 R CB -0.651 29.331 30.300 -0.530 0.000 0.864 136 R HN 0.314 nan 8.270 nan 0.000 0.440 137 F N 1.548 121.413 119.950 -0.141 0.000 2.128 137 F HA 0.047 4.581 4.527 0.011 0.000 0.295 137 F C 2.302 178.046 175.800 -0.094 0.000 1.100 137 F CA 0.799 58.738 58.000 -0.101 0.000 1.260 137 F CB -0.566 38.363 39.000 -0.119 0.000 1.009 137 F HN -0.140 nan 8.300 nan 0.000 0.476 138 L N 0.035 121.290 121.223 0.053 0.000 2.012 138 L HA -0.244 4.103 4.340 0.011 0.000 0.210 138 L C 2.796 179.672 176.870 0.010 0.000 1.073 138 L CA 1.296 56.125 54.840 -0.019 0.000 0.748 138 L CB -1.084 40.915 42.059 -0.100 0.000 0.891 138 L HN 0.186 nan 8.230 nan 0.000 0.431 139 A N -0.891 121.942 122.820 0.022 0.000 1.873 139 A HA -0.293 4.033 4.320 0.011 0.000 0.218 139 A C 2.301 179.929 177.584 0.073 0.000 1.193 139 A CA 2.013 54.101 52.037 0.085 0.000 0.629 139 A CB -0.619 18.474 19.000 0.155 0.000 0.826 139 A HN 0.445 nan 8.150 nan 0.000 0.447 140 Q N -0.413 119.414 119.800 0.045 0.000 2.049 140 Q HA -0.066 4.281 4.340 0.011 0.000 0.198 140 Q C 2.226 178.256 176.000 0.050 0.000 0.971 140 Q CA 1.940 57.773 55.803 0.049 0.000 0.833 140 Q CB -0.249 28.501 28.738 0.021 0.000 0.896 140 Q HN 0.432 nan 8.270 nan 0.000 0.434 141 V N 1.179 121.122 119.914 0.048 0.000 2.407 141 V HA -0.103 4.024 4.120 0.011 0.000 0.245 141 V C 1.739 177.846 176.094 0.022 0.000 1.041 141 V CA 1.451 63.772 62.300 0.036 0.000 1.040 141 V CB -0.135 31.708 31.823 0.033 0.000 0.671 141 V HN 0.229 nan 8.190 nan 0.000 0.455 142 E N -0.251 119.960 120.200 0.019 0.000 2.481 142 E HA 0.198 4.554 4.350 0.011 0.000 0.198 142 E C 1.711 178.327 176.600 0.027 0.000 1.027 142 E CA 0.742 57.150 56.400 0.013 0.000 0.900 142 E CB 0.589 30.287 29.700 -0.004 0.000 0.993 142 E HN 0.588 nan 8.360 nan 0.000 0.482 143 G N 1.707 110.534 108.800 0.044 0.000 2.153 143 G HA2 -0.311 3.655 3.960 0.011 0.000 0.252 143 G HA3 -0.311 3.655 3.960 0.011 0.000 0.252 143 G C 0.506 175.448 174.900 0.070 0.000 0.994 143 G CA 0.379 45.515 45.100 0.059 0.000 0.698 143 G HN 0.479 nan 8.290 nan 0.000 0.521 144 A N -0.736 122.124 122.820 0.066 0.000 2.351 144 A HA 0.705 5.031 4.320 0.011 0.000 0.257 144 A C 0.515 178.177 177.584 0.130 0.000 1.087 144 A CA 0.140 52.222 52.037 0.076 0.000 0.798 144 A CB 1.139 20.163 19.000 0.041 0.000 1.033 144 A HN 1.130 nan 8.150 nan 0.000 0.488 145 V N 2.921 122.921 119.914 0.143 0.000 2.364 145 V HA 0.374 4.501 4.120 0.011 0.000 0.272 145 V C -0.079 176.147 176.094 0.219 0.000 1.036 145 V CA -0.092 62.324 62.300 0.193 0.000 0.880 145 V CB 0.719 32.649 31.823 0.178 0.000 0.991 145 V HN 0.725 nan 8.190 nan 0.000 0.460 146 L N 6.189 127.596 121.223 0.308 0.000 2.341 146 L HA 0.778 5.125 4.340 0.011 0.000 0.278 146 L C -0.922 176.233 176.870 0.474 0.000 1.005 146 L CA -0.348 54.722 54.840 0.384 0.000 0.818 146 L CB 1.965 44.246 42.059 0.370 0.000 1.259 146 L HN 0.442 nan 8.230 nan 0.000 0.418 147 V N 2.848 123.018 119.914 0.428 0.000 2.656 147 V HA 0.691 4.817 4.120 0.011 0.000 0.307 147 V C -0.540 175.801 176.094 0.412 0.000 1.051 147 V CA -0.483 62.026 62.300 0.348 0.000 0.893 147 V CB 1.951 33.906 31.823 0.220 0.000 0.999 147 V HN 0.833 nan 8.190 nan 0.000 0.426 148 S N 5.095 121.035 115.700 0.399 0.000 2.547 148 S HA 0.861 5.337 4.470 0.011 0.000 0.281 148 S C -0.833 173.924 174.600 0.262 0.000 1.118 148 S CA -0.813 57.628 58.200 0.402 0.000 0.947 148 S CB 2.177 65.749 63.200 0.619 0.000 1.053 148 S HN 0.885 nan 8.310 nan 0.000 0.482 149 M N 1.561 121.274 119.600 0.188 0.000 2.528 149 M HA 0.630 5.116 4.480 0.011 0.000 0.321 149 M C -1.566 174.953 176.300 0.365 0.000 1.153 149 M CA -0.539 54.862 55.300 0.169 0.000 0.951 149 M CB 1.078 33.593 32.600 -0.142 0.000 1.705 149 M HN 0.535 nan 8.290 nan 0.000 0.451 150 N N 3.300 122.279 118.700 0.465 0.000 2.520 150 N HA 0.470 5.216 4.740 0.011 0.000 0.273 150 N C -1.345 174.460 175.510 0.491 0.000 1.155 150 N CA 0.211 53.556 53.050 0.492 0.000 0.967 150 N CB 0.298 39.005 38.487 0.368 0.000 1.092 150 N HN 0.700 nan 8.380 nan 0.000 0.457 151 Y N -1.510 118.972 120.300 0.303 0.000 2.545 151 Y HA 0.573 5.130 4.550 0.011 0.000 0.348 151 Y C 0.064 176.109 175.900 0.242 0.000 1.002 151 Y CA -1.353 56.879 58.100 0.219 0.000 1.039 151 Y CB 0.899 39.418 38.460 0.099 0.000 1.271 151 Y HN 0.209 nan 8.280 nan 0.000 0.467 152 R N 1.746 122.391 120.500 0.242 0.000 2.623 152 R HA 0.472 4.819 4.340 0.011 0.000 0.271 152 R C -0.337 176.122 176.300 0.264 0.000 1.043 152 R CA -0.038 56.161 56.100 0.166 0.000 1.083 152 R CB 0.799 31.160 30.300 0.102 0.000 0.974 152 R HN 0.740 nan 8.270 nan 0.000 0.436 153 V N -0.510 119.598 119.914 0.324 0.000 3.155 153 V HA 0.887 5.014 4.120 0.011 0.000 0.313 153 V C 0.648 177.067 176.094 0.541 0.000 1.162 153 V CA -0.110 62.492 62.300 0.504 0.000 1.048 153 V CB 1.221 33.241 31.823 0.329 0.000 1.092 153 V HN 0.978 nan 8.190 nan 0.000 0.447 154 G N 1.771 110.917 108.800 0.576 0.000 2.564 154 G HA2 -0.277 3.689 3.960 0.011 0.000 0.273 154 G HA3 -0.277 3.689 3.960 0.011 0.000 0.273 154 G C 1.020 176.040 174.900 0.200 0.000 1.242 154 G CA 1.388 46.736 45.100 0.414 0.000 0.951 154 G HN 2.407 nan 8.290 nan 0.000 0.564 155 T N -1.801 112.563 114.554 -0.317 0.000 2.759 155 T HA -0.061 4.296 4.350 0.011 0.000 0.269 155 T C 2.139 176.686 174.700 -0.255 0.000 1.042 155 T CA 2.566 64.234 62.100 -0.719 0.000 1.140 155 T CB -0.385 67.899 68.868 -0.974 0.000 0.864 155 T HN 0.593 nan 8.240 nan 0.000 0.455 156 F N 2.169 122.164 119.950 0.076 0.000 2.216 156 F HA 0.231 4.765 4.527 0.010 0.000 0.300 156 F C 2.753 178.546 175.800 -0.010 0.000 1.085 156 F CA 0.760 58.766 58.000 0.010 0.000 1.326 156 F CB -0.956 38.023 39.000 -0.034 0.000 1.027 156 F HN 0.374 nan 8.300 nan 0.000 0.497 157 G N -1.999 106.876 108.800 0.124 0.000 2.595 157 G HA2 0.004 3.970 3.960 0.011 0.000 0.213 157 G HA3 0.004 3.970 3.960 0.011 0.000 0.213 157 G C 0.927 175.339 174.900 -0.814 0.000 1.141 157 G CA 0.296 45.204 45.100 -0.321 0.000 0.806 157 G HN 0.350 nan 8.290 nan 0.000 0.530 158 F N -0.766 119.262 119.950 0.131 0.000 2.915 158 F HA 0.426 4.959 4.527 0.011 0.000 0.347 158 F C 0.461 176.325 175.800 0.106 0.000 1.104 158 F CA -0.968 57.090 58.000 0.097 0.000 1.126 158 F CB 0.350 39.419 39.000 0.116 0.000 1.145 158 F HN -0.094 nan 8.300 nan 0.000 0.541 159 L N 2.229 123.497 121.223 0.075 0.000 2.513 159 L HA 0.508 4.855 4.340 0.011 0.000 0.272 159 L C -0.044 176.778 176.870 -0.081 0.000 1.187 159 L CA 0.026 54.806 54.840 -0.099 0.000 0.895 159 L CB 0.342 42.051 42.059 -0.582 0.000 1.147 159 L HN 0.127 nan 8.230 nan 0.000 0.483 160 A N 6.298 129.115 122.820 -0.005 0.000 2.422 160 A HA 0.678 5.004 4.320 0.011 0.000 0.302 160 A C -1.104 176.454 177.584 -0.044 0.000 1.041 160 A CA -0.584 51.439 52.037 -0.024 0.000 0.708 160 A CB 1.320 20.340 19.000 0.033 0.000 1.257 160 A HN 0.707 nan 8.150 nan 0.000 0.414 161 L N 3.456 124.640 121.223 -0.064 0.000 2.387 161 L HA 0.331 4.677 4.340 0.011 0.000 0.259 161 L C -2.449 174.407 176.870 -0.023 0.000 1.050 161 L CA -1.741 53.070 54.840 -0.048 0.000 0.922 161 L CB 1.508 43.526 42.059 -0.069 0.000 1.280 161 L HN 0.406 nan 8.230 nan 0.000 0.449 162 P HA 0.117 nan 4.420 nan 0.000 0.265 162 P C 0.966 178.266 177.300 0.001 0.000 1.193 162 P CA 0.653 63.753 63.100 0.000 0.000 0.765 162 P CB 1.050 32.752 31.700 0.003 0.000 0.823 163 G N 1.809 110.613 108.800 0.007 0.000 2.258 163 G HA2 -0.247 3.720 3.960 0.011 0.000 0.233 163 G HA3 -0.247 3.720 3.960 0.011 0.000 0.233 163 G C 0.412 175.316 174.900 0.006 0.000 1.006 163 G CA 0.230 45.334 45.100 0.007 0.000 0.620 163 G HN 0.816 nan 8.290 nan 0.000 0.511 164 S N 0.414 116.115 115.700 0.002 0.000 2.585 164 S HA 0.617 5.093 4.470 0.011 0.000 0.273 164 S C 1.473 176.080 174.600 0.012 0.000 1.339 164 S CA 0.181 58.382 58.200 0.002 0.000 1.028 164 S CB 1.550 64.744 63.200 -0.010 0.000 0.906 164 S HN 0.305 nan 8.310 nan 0.000 0.528 165 R N 1.563 122.073 120.500 0.016 0.000 2.127 165 R HA 0.066 4.413 4.340 0.011 0.000 0.217 165 R C 1.455 177.775 176.300 0.033 0.000 1.074 165 R CA 1.162 57.277 56.100 0.024 0.000 0.991 165 R CB -0.750 29.564 30.300 0.023 0.000 0.895 165 R HN 0.780 nan 8.270 nan 0.000 0.450 166 E N 0.063 120.283 120.200 0.032 0.000 2.385 166 E HA 0.132 4.488 4.350 0.011 0.000 0.194 166 E C 0.104 176.750 176.600 0.076 0.000 1.013 166 E CA 0.600 57.032 56.400 0.055 0.000 0.866 166 E CB 0.610 30.342 29.700 0.053 0.000 0.832 166 E HN 0.186 nan 8.360 nan 0.000 0.500 167 A N 1.051 123.889 122.820 0.030 0.000 3.409 167 A HA 0.270 4.597 4.320 0.011 0.000 0.282 167 A C -2.150 175.431 177.584 -0.005 0.000 1.064 167 A CA -0.894 51.147 52.037 0.007 0.000 0.889 167 A CB 0.436 19.354 19.000 -0.137 0.000 1.251 167 A HN -0.077 nan 8.150 nan 0.000 0.538 168 P HA 0.134 nan 4.420 nan 0.000 0.229 168 P C 0.931 178.244 177.300 0.021 0.000 1.160 168 P CA 1.798 64.912 63.100 0.023 0.000 0.777 168 P CB 0.173 31.896 31.700 0.037 0.000 0.814 169 G N 0.706 109.514 108.800 0.014 0.000 2.707 169 G HA2 -0.181 3.785 3.960 0.011 0.000 0.686 169 G HA3 -0.181 3.785 3.960 0.011 0.000 0.686 169 G C -0.118 174.771 174.900 -0.017 0.000 1.315 169 G CA -0.286 44.823 45.100 0.016 0.000 0.832 169 G HN 0.129 nan 8.290 nan 0.000 0.573 170 N N -2.461 116.223 118.700 -0.028 0.000 2.753 170 N HA -0.275 4.472 4.740 0.011 0.000 0.251 170 N C 1.837 177.189 175.510 -0.264 0.000 1.097 170 N CA 2.482 55.450 53.050 -0.137 0.000 0.786 170 N CB -1.638 36.728 38.487 -0.201 0.000 1.137 170 N HN 1.926 nan 8.380 nan 0.000 0.566 171 V N -2.906 116.851 119.914 -0.261 0.000 2.667 171 V HA 0.074 4.200 4.120 0.011 0.000 0.252 171 V C 2.291 178.258 176.094 -0.211 0.000 1.065 171 V CA 2.174 64.374 62.300 -0.166 0.000 1.083 171 V CB -0.794 30.981 31.823 -0.079 0.000 0.692 171 V HN 0.256 nan 8.190 nan 0.000 0.468 172 G N 0.538 109.030 108.800 -0.513 0.000 2.432 172 G HA2 -0.157 3.809 3.960 0.011 0.000 0.219 172 G HA3 -0.157 3.809 3.960 0.011 0.000 0.219 172 G C 1.549 176.422 174.900 -0.045 0.000 1.135 172 G CA 1.216 46.139 45.100 -0.294 0.000 0.767 172 G HN 0.541 nan 8.290 nan 0.000 0.550 173 L N -0.283 120.844 121.223 -0.161 0.000 2.156 173 L HA 0.131 4.477 4.340 0.011 0.000 0.208 173 L C 2.778 179.640 176.870 -0.015 0.000 1.095 173 L CA 0.231 54.941 54.840 -0.216 0.000 0.770 173 L CB -0.210 41.391 42.059 -0.763 0.000 0.914 173 L HN 0.183 nan 8.230 nan 0.000 0.439 174 L N -0.574 120.649 121.223 -0.001 0.000 2.156 174 L HA -0.182 4.164 4.340 0.011 0.000 0.208 174 L C 2.170 179.150 176.870 0.184 0.000 1.095 174 L CA 0.798 55.734 54.840 0.161 0.000 0.770 174 L CB -0.533 41.602 42.059 0.126 0.000 0.914 174 L HN 0.280 nan 8.230 nan 0.000 0.439 175 D N 0.006 120.507 120.400 0.169 0.000 2.104 175 D HA -0.223 4.424 4.640 0.011 0.000 0.194 175 D C 2.221 178.663 176.300 0.238 0.000 0.994 175 D CA 1.257 55.441 54.000 0.307 0.000 0.830 175 D CB -0.240 40.765 40.800 0.343 0.000 0.959 175 D HN 0.393 nan 8.370 nan 0.000 0.452 176 Q N 0.165 120.037 119.800 0.120 0.000 2.061 176 Q HA -0.147 4.200 4.340 0.011 0.000 0.204 176 Q C 2.316 178.301 176.000 -0.026 0.000 0.984 176 Q CA 1.140 56.934 55.803 -0.017 0.000 0.846 176 Q CB -0.088 28.646 28.738 -0.006 0.000 0.902 176 Q HN 0.197 nan 8.270 nan 0.000 0.421 177 R N 0.489 121.084 120.500 0.158 0.000 2.091 177 R HA -0.191 4.155 4.340 0.011 0.000 0.238 177 R C 2.213 178.569 176.300 0.093 0.000 1.136 177 R CA 1.179 57.367 56.100 0.147 0.000 0.959 177 R CB -0.268 30.223 30.300 0.318 0.000 0.856 177 R HN 0.221 nan 8.270 nan 0.000 0.437 178 L N 0.683 121.990 121.223 0.140 0.000 2.083 178 L HA -0.061 4.285 4.340 0.011 0.000 0.209 178 L C 2.247 179.161 176.870 0.074 0.000 1.083 178 L CA 2.110 57.059 54.840 0.183 0.000 0.752 178 L CB -0.689 41.571 42.059 0.335 0.000 0.899 178 L HN 0.266 nan 8.230 nan 0.000 0.433 179 A N -0.590 122.068 122.820 -0.270 0.000 1.933 179 A HA -0.160 4.167 4.320 0.011 0.000 0.218 179 A C 2.217 179.743 177.584 -0.097 0.000 1.175 179 A CA 1.864 53.587 52.037 -0.523 0.000 0.628 179 A CB -0.801 17.660 19.000 -0.898 0.000 0.814 179 A HN 0.505 nan 8.150 nan 0.000 0.444 180 L N -1.038 120.145 121.223 -0.066 0.000 2.093 180 L HA -0.243 4.103 4.340 0.011 0.000 0.208 180 L C 2.806 179.734 176.870 0.097 0.000 1.085 180 L CA 1.611 56.458 54.840 0.011 0.000 0.755 180 L CB -0.883 41.141 42.059 -0.057 0.000 0.904 180 L HN 0.513 nan 8.230 nan 0.000 0.435 181 Q N -0.956 118.911 119.800 0.110 0.000 2.119 181 Q HA -0.252 4.094 4.340 0.011 0.000 0.201 181 Q C 2.050 178.152 176.000 0.169 0.000 0.972 181 Q CA 1.885 57.764 55.803 0.126 0.000 0.847 181 Q CB -0.293 28.521 28.738 0.128 0.000 0.903 181 Q HN 0.541 nan 8.270 nan 0.000 0.433 182 W N 0.603 121.928 121.300 0.042 0.000 2.342 182 W HA -0.231 4.435 4.660 0.010 0.000 0.297 182 W C 1.807 178.369 176.519 0.072 0.000 1.213 182 W CA 1.297 58.686 57.345 0.073 0.000 1.251 182 W CB -0.011 29.500 29.460 0.085 0.000 1.136 182 W HN -0.141 nan 8.180 nan 0.000 0.526 183 V N 0.748 120.903 119.914 0.402 0.000 2.307 183 V HA -0.323 3.804 4.120 0.011 0.000 0.245 183 V C 2.561 178.693 176.094 0.063 0.000 1.045 183 V CA 1.986 64.452 62.300 0.276 0.000 1.024 183 V CB -1.023 30.969 31.823 0.282 0.000 0.651 183 V HN 0.166 nan 8.190 nan 0.000 0.449 184 Q N -0.061 119.781 119.800 0.070 0.000 2.077 184 Q HA -0.299 4.047 4.340 0.011 0.000 0.206 184 Q C 2.240 178.217 176.000 -0.038 0.000 0.989 184 Q CA 2.388 58.211 55.803 0.034 0.000 0.853 184 Q CB -0.355 28.410 28.738 0.044 0.000 0.907 184 Q HN 0.810 nan 8.270 nan 0.000 0.418 185 E N -0.298 119.842 120.200 -0.101 0.000 2.112 185 E HA -0.087 4.269 4.350 0.011 0.000 0.190 185 E C 1.199 177.645 176.600 -0.257 0.000 0.979 185 E CA 0.847 57.149 56.400 -0.162 0.000 0.814 185 E CB 0.277 29.875 29.700 -0.170 0.000 0.762 185 E HN 0.285 nan 8.360 nan 0.000 0.460 186 N N -0.202 118.236 118.700 -0.437 0.000 2.273 186 N HA 0.002 4.748 4.740 0.011 0.000 0.192 186 N C 1.380 176.748 175.510 -0.236 0.000 1.132 186 N CA 0.054 52.774 53.050 -0.550 0.000 0.887 186 N CB 0.387 38.076 38.487 -1.330 0.000 1.048 186 N HN 0.142 nan 8.380 nan 0.000 0.490 187 I N 2.233 122.752 120.570 -0.086 0.000 2.493 187 I HA -0.065 4.112 4.170 0.011 0.000 0.254 187 I C 2.100 178.338 176.117 0.202 0.000 1.160 187 I CA 0.475 61.889 61.300 0.191 0.000 1.445 187 I CB -0.214 37.887 38.000 0.169 0.000 1.086 187 I HN 0.036 nan 8.210 nan 0.000 0.433 188 A N 0.246 123.098 122.820 0.053 0.000 2.019 188 A HA -0.112 4.215 4.320 0.011 0.000 0.219 188 A C 2.457 180.017 177.584 -0.041 0.000 1.164 188 A CA 1.498 53.544 52.037 0.014 0.000 0.644 188 A CB -1.001 17.983 19.000 -0.027 0.000 0.805 188 A HN 0.462 nan 8.150 nan 0.000 0.449 189 A N -1.420 121.318 122.820 -0.137 0.000 2.070 189 A HA 0.093 4.420 4.320 0.011 0.000 0.220 189 A C 1.485 178.773 177.584 -0.493 0.000 1.159 189 A CA 1.141 52.958 52.037 -0.367 0.000 0.656 189 A CB -0.598 18.058 19.000 -0.574 0.000 0.800 189 A HN 0.515 nan 8.150 nan 0.000 0.453 190 F N -1.408 118.495 119.950 -0.079 0.000 2.695 190 F HA 0.394 4.928 4.527 0.011 0.000 0.303 190 F C 1.742 177.550 175.800 0.013 0.000 1.091 190 F CA 0.463 58.434 58.000 -0.048 0.000 1.300 190 F CB 0.292 39.281 39.000 -0.018 0.000 1.071 190 F HN 0.306 nan 8.300 nan 0.000 0.578 191 G N 0.391 109.268 108.800 0.128 0.000 2.157 191 G HA2 -0.196 3.770 3.960 0.011 0.000 0.248 191 G HA3 -0.196 3.770 3.960 0.011 0.000 0.248 191 G C 0.664 175.631 174.900 0.111 0.000 0.979 191 G CA -0.248 44.909 45.100 0.096 0.000 0.650 191 G HN 0.722 nan 8.290 nan 0.000 0.529 192 G N -0.439 108.453 108.800 0.152 0.000 2.503 192 G HA2 0.457 4.424 3.960 0.011 0.000 0.257 192 G HA3 0.457 4.424 3.960 0.011 0.000 0.257 192 G C -0.586 174.364 174.900 0.083 0.000 1.214 192 G CA 0.367 45.544 45.100 0.129 0.000 0.839 192 G HN 0.250 nan 8.290 nan 0.000 0.559 193 D N 1.517 121.954 120.400 0.063 0.000 2.396 193 D HA 0.283 4.930 4.640 0.011 0.000 0.225 193 D C -1.192 175.134 176.300 0.044 0.000 1.121 193 D CA -2.406 51.612 54.000 0.031 0.000 0.853 193 D CB 1.941 42.741 40.800 -0.001 0.000 1.043 193 D HN 0.062 nan 8.370 nan 0.000 0.500 194 P HA -0.042 nan 4.420 nan 0.000 0.233 194 P C 1.083 178.460 177.300 0.129 0.000 1.167 194 P CA 0.596 63.752 63.100 0.093 0.000 0.770 194 P CB 0.167 31.907 31.700 0.066 0.000 0.837 195 M N -1.256 118.347 119.600 0.004 0.000 2.494 195 M HA 0.109 4.596 4.480 0.011 0.000 0.232 195 M C 0.573 176.512 176.300 -0.601 0.000 1.137 195 M CA 0.403 55.602 55.300 -0.167 0.000 1.012 195 M CB 0.196 32.723 32.600 -0.123 0.000 1.567 195 M HN -0.172 nan 8.290 nan 0.000 0.486 196 S N 1.038 116.558 115.700 -0.301 0.000 2.383 196 S HA 0.465 4.942 4.470 0.011 0.000 0.196 196 S C -1.101 173.520 174.600 0.036 0.000 1.364 196 S CA -0.513 57.535 58.200 -0.254 0.000 1.212 196 S CB 0.597 63.697 63.200 -0.165 0.000 1.171 196 S HN 0.013 nan 8.310 nan 0.000 0.456 197 V N 3.961 124.048 119.914 0.289 0.000 2.487 197 V HA 0.591 4.718 4.120 0.011 0.000 0.298 197 V C -0.137 176.150 176.094 0.322 0.000 1.028 197 V CA -0.488 61.998 62.300 0.310 0.000 0.860 197 V CB 2.074 34.105 31.823 0.345 0.000 0.991 197 V HN 0.740 nan 8.190 nan 0.000 0.427 198 T N 6.307 120.999 114.554 0.229 0.000 2.786 198 T HA 0.579 4.936 4.350 0.011 0.000 0.283 198 T C -0.272 174.577 174.700 0.249 0.000 0.992 198 T CA -0.361 61.878 62.100 0.231 0.000 0.954 198 T CB 0.864 69.814 68.868 0.135 0.000 0.934 198 T HN 0.356 nan 8.240 nan 0.000 0.440 199 L N 4.822 126.167 121.223 0.203 0.000 2.371 199 L HA 0.660 5.006 4.340 0.011 0.000 0.272 199 L C -0.344 176.733 176.870 0.345 0.000 1.124 199 L CA -0.709 54.217 54.840 0.143 0.000 0.816 199 L CB 0.213 42.143 42.059 -0.215 0.000 1.129 199 L HN 0.622 nan 8.230 nan 0.000 0.448 200 F N 0.399 120.411 119.950 0.104 0.000 2.601 200 F HA 0.954 5.487 4.527 0.010 0.000 0.309 200 F C -0.328 175.472 175.800 0.001 0.000 1.089 200 F CA -1.406 56.700 58.000 0.178 0.000 0.940 200 F CB 1.552 40.788 39.000 0.392 0.000 1.273 200 F HN 0.491 nan 8.300 nan 0.000 0.450 201 G N 1.030 109.709 108.800 -0.202 0.000 2.576 201 G HA2 0.498 4.465 3.960 0.011 0.000 0.290 201 G HA3 0.498 4.465 3.960 0.011 0.000 0.290 201 G C -2.536 172.153 174.900 -0.353 0.000 1.442 201 G CA -0.799 43.781 45.100 -0.867 0.000 0.792 201 G HN 0.882 nan 8.290 nan 0.000 0.491 202 E N 0.189 120.127 120.200 -0.437 0.000 2.266 202 E HA 0.622 4.979 4.350 0.011 0.000 0.268 202 E C 0.524 177.073 176.600 -0.086 0.000 0.879 202 E CA 0.246 56.621 56.400 -0.042 0.000 0.762 202 E CB 2.176 31.996 29.700 0.200 0.000 1.199 202 E HN 0.843 nan 8.360 nan 0.000 0.422 203 S N 2.570 118.300 115.700 0.050 0.000 4.116 203 S HA -0.382 4.094 4.470 0.011 0.000 0.623 203 S C 1.427 176.092 174.600 0.108 0.000 1.933 203 S CA 1.850 60.131 58.200 0.136 0.000 4.224 203 S CB -1.625 61.610 63.200 0.058 0.000 0.208 203 S HN 0.960 nan 8.310 nan 0.000 0.527 204 A N 1.097 123.835 122.820 -0.137 0.000 2.024 204 A HA 0.153 4.479 4.320 0.011 0.000 0.220 204 A C 2.423 179.752 177.584 -0.424 0.000 1.164 204 A CA 2.454 54.231 52.037 -0.433 0.000 0.643 204 A CB -1.515 16.789 19.000 -1.160 0.000 0.806 204 A HN 1.554 nan 8.150 nan 0.000 0.451 205 G N -0.503 108.088 108.800 -0.347 0.000 2.418 205 G HA2 0.017 3.983 3.960 0.011 0.000 0.217 205 G HA3 0.017 3.983 3.960 0.011 0.000 0.217 205 G C 1.731 176.459 174.900 -0.286 0.000 1.158 205 G CA 1.307 46.153 45.100 -0.423 0.000 0.771 205 G HN 0.760 nan 8.290 nan 0.000 0.545 206 A N 1.214 123.943 122.820 -0.151 0.000 1.898 206 A HA 0.306 4.632 4.320 0.011 0.000 0.216 206 A C 2.833 180.410 177.584 -0.012 0.000 1.181 206 A CA 2.161 54.174 52.037 -0.041 0.000 0.620 206 A CB -0.847 18.188 19.000 0.058 0.000 0.819 206 A HN 0.784 nan 8.150 nan 0.000 0.442 207 A N -0.183 122.662 122.820 0.041 0.000 1.892 207 A HA -0.141 4.186 4.320 0.011 0.000 0.218 207 A C 2.448 180.049 177.584 0.029 0.000 1.188 207 A CA 2.308 54.367 52.037 0.037 0.000 0.631 207 A CB -1.006 18.074 19.000 0.132 0.000 0.822 207 A HN 0.483 nan 8.150 nan 0.000 0.447 208 S N -0.435 115.277 115.700 0.020 0.000 2.370 208 S HA -0.144 4.332 4.470 0.011 0.000 0.226 208 S C 1.882 176.449 174.600 -0.055 0.000 1.033 208 S CA 1.427 59.595 58.200 -0.052 0.000 1.011 208 S CB -0.612 62.497 63.200 -0.152 0.000 0.852 208 S HN 0.355 nan 8.310 nan 0.000 0.457 209 V N 1.848 121.738 119.914 -0.041 0.000 2.287 209 V HA -0.186 3.940 4.120 0.011 0.000 0.248 209 V C 2.668 178.758 176.094 -0.007 0.000 1.053 209 V CA 2.032 64.312 62.300 -0.033 0.000 1.027 209 V CB -1.566 30.216 31.823 -0.069 0.000 0.646 209 V HN 0.602 nan 8.190 nan 0.000 0.447 210 G N -0.956 107.837 108.800 -0.013 0.000 2.422 210 G HA2 -0.267 3.700 3.960 0.011 0.000 0.218 210 G HA3 -0.267 3.700 3.960 0.011 0.000 0.218 210 G C 1.608 176.522 174.900 0.024 0.000 1.146 210 G CA 1.046 46.142 45.100 -0.006 0.000 0.769 210 G HN 0.452 nan 8.290 nan 0.000 0.547 211 M N -0.221 119.379 119.600 0.001 0.000 2.319 211 M HA 0.028 4.514 4.480 0.011 0.000 0.265 211 M C 2.256 178.612 176.300 0.092 0.000 1.068 211 M CA 0.753 56.084 55.300 0.050 0.000 1.118 211 M CB -0.236 32.371 32.600 0.012 0.000 1.395 211 M HN 0.207 nan 8.290 nan 0.000 0.435 212 H N 0.025 119.195 119.070 0.167 0.000 2.423 212 H HA 0.004 4.566 4.556 0.010 0.000 0.297 212 H C 2.079 177.571 175.328 0.272 0.000 1.075 212 H CA 1.340 57.477 56.048 0.150 0.000 1.342 212 H CB -0.238 29.473 29.762 -0.084 0.000 1.395 212 H HN 0.419 nan 8.280 nan 0.000 0.530 213 I N 0.587 121.377 120.570 0.367 0.000 2.315 213 I HA -0.220 3.956 4.170 0.011 0.000 0.248 213 I C 1.886 178.168 176.117 0.275 0.000 1.117 213 I CA 0.987 62.530 61.300 0.405 0.000 1.404 213 I CB -0.075 38.082 38.000 0.261 0.000 1.071 213 I HN 0.104 nan 8.210 nan 0.000 0.419 214 L N -0.812 120.523 121.223 0.187 0.000 2.591 214 L HA 0.097 4.443 4.340 0.011 0.000 0.228 214 L C 0.934 177.832 176.870 0.048 0.000 1.133 214 L CA 0.078 55.009 54.840 0.152 0.000 0.880 214 L CB 0.018 42.150 42.059 0.121 0.000 1.033 214 L HN 0.020 nan 8.230 nan 0.000 0.450 215 S N -0.062 115.624 115.700 -0.024 0.000 2.498 215 S HA 0.221 4.697 4.470 0.011 0.000 0.324 215 S C 0.642 175.152 174.600 -0.149 0.000 1.071 215 S CA -0.612 57.444 58.200 -0.239 0.000 1.113 215 S CB 1.268 63.988 63.200 -0.799 0.000 0.976 215 S HN 0.131 nan 8.310 nan 0.000 0.462 216 L N 7.844 128.996 121.223 -0.118 0.000 2.042 216 L HA 0.118 4.465 4.340 0.011 0.000 0.210 216 L C -1.105 175.725 176.870 -0.066 0.000 1.076 216 L CA 2.097 56.894 54.840 -0.071 0.000 0.749 216 L CB -1.309 40.709 42.059 -0.068 0.000 0.893 216 L HN 0.472 nan 8.230 nan 0.000 0.432 217 P HA -0.105 nan 4.420 nan 0.000 0.219 217 P C 1.675 178.975 177.300 0.001 0.000 1.146 217 P CA 1.462 64.531 63.100 -0.052 0.000 0.808 217 P CB -0.031 31.628 31.700 -0.068 0.000 0.779 218 S N -1.039 114.682 115.700 0.036 0.000 2.461 218 S HA -0.016 4.461 4.470 0.011 0.000 0.228 218 S C 1.797 176.528 174.600 0.219 0.000 1.005 218 S CA 0.547 58.868 58.200 0.202 0.000 0.942 218 S CB -0.371 63.074 63.200 0.409 0.000 0.776 218 S HN 0.091 nan 8.310 nan 0.000 0.514 219 R N 1.964 122.492 120.500 0.046 0.000 2.152 219 R HA 0.010 4.356 4.340 0.011 0.000 0.232 219 R C 2.344 178.440 176.300 -0.340 0.000 1.117 219 R CA 1.353 57.327 56.100 -0.210 0.000 0.981 219 R CB -1.276 28.932 30.300 -0.153 0.000 0.870 219 R HN 0.587 nan 8.270 nan 0.000 0.451 220 S N 0.112 115.709 115.700 -0.170 0.000 2.561 220 S HA 0.057 4.533 4.470 0.011 0.000 0.225 220 S C 1.796 176.296 174.600 -0.167 0.000 0.977 220 S CA 0.358 58.456 58.200 -0.169 0.000 0.926 220 S CB -0.192 62.960 63.200 -0.080 0.000 0.769 220 S HN 0.219 nan 8.310 nan 0.000 0.533 221 L N 0.361 121.533 121.223 -0.084 0.000 2.607 221 L HA 0.452 4.798 4.340 0.011 0.000 0.228 221 L C 0.190 177.108 176.870 0.080 0.000 1.123 221 L CA -0.237 54.622 54.840 0.032 0.000 0.890 221 L CB -0.194 41.934 42.059 0.115 0.000 1.103 221 L HN 0.516 nan 8.230 nan 0.000 0.468 222 F N -4.147 115.625 119.950 -0.297 0.000 2.741 222 F HA 0.449 4.982 4.527 0.010 0.000 0.313 222 F C 0.331 175.816 175.800 -0.525 0.000 1.153 222 F CA -1.010 56.812 58.000 -0.297 0.000 0.931 222 F CB 0.830 39.785 39.000 -0.076 0.000 1.335 222 F HN -0.158 nan 8.300 nan 0.000 0.460 223 H N -0.606 118.499 119.070 0.058 0.000 3.400 223 H HA 0.456 5.018 4.556 0.010 0.000 0.251 223 H C -0.147 175.194 175.328 0.023 0.000 1.040 223 H CA -0.062 55.941 56.048 -0.075 0.000 1.175 223 H CB 1.110 30.845 29.762 -0.045 0.000 1.487 223 H HN 0.442 nan 8.280 nan 0.000 0.505 224 R N 0.144 120.843 120.500 0.330 0.000 2.764 224 R HA 0.707 5.053 4.340 0.011 0.000 0.270 224 R C -1.521 175.047 176.300 0.446 0.000 1.014 224 R CA -0.651 55.620 56.100 0.286 0.000 0.904 224 R CB 2.862 33.149 30.300 -0.022 0.000 1.236 224 R HN 0.136 nan 8.270 nan 0.000 0.466 225 A N 1.023 124.117 122.820 0.455 0.000 2.520 225 A HA 0.682 5.008 4.320 0.011 0.000 0.298 225 A C -1.491 176.240 177.584 0.245 0.000 1.051 225 A CA -0.597 51.634 52.037 0.322 0.000 0.690 225 A CB 1.920 21.071 19.000 0.251 0.000 1.281 225 A HN 0.289 nan 8.150 nan 0.000 0.402 226 V N 2.262 122.280 119.914 0.173 0.000 2.483 226 V HA 0.498 4.625 4.120 0.011 0.000 0.297 226 V C -1.131 175.053 176.094 0.149 0.000 1.027 226 V CA -0.309 62.032 62.300 0.068 0.000 0.855 226 V CB 1.212 33.082 31.823 0.078 0.000 0.995 226 V HN 0.686 nan 8.190 nan 0.000 0.424 227 L N 5.277 126.559 121.223 0.098 0.000 2.316 227 L HA 0.541 4.888 4.340 0.011 0.000 0.280 227 L C 0.012 176.987 176.870 0.176 0.000 1.006 227 L CA -0.003 54.899 54.840 0.104 0.000 0.836 227 L CB 1.498 43.575 42.059 0.029 0.000 1.221 227 L HN 0.620 nan 8.230 nan 0.000 0.418 228 Q N 2.015 121.969 119.800 0.257 0.000 2.347 228 Q HA 0.440 4.787 4.340 0.011 0.000 0.262 228 Q C 0.108 176.249 176.000 0.235 0.000 0.980 228 Q CA -0.571 55.443 55.803 0.351 0.000 0.867 228 Q CB 1.403 30.430 28.738 0.482 0.000 1.242 228 Q HN 0.629 nan 8.270 nan 0.000 0.453 229 S N 1.053 116.882 115.700 0.216 0.000 3.559 229 S HA -0.168 4.308 4.470 0.011 0.000 0.369 229 S C 0.059 174.865 174.600 0.344 0.000 0.987 229 S CA 0.559 58.922 58.200 0.271 0.000 1.187 229 S CB -1.197 62.179 63.200 0.292 0.000 0.914 229 S HN 0.997 nan 8.310 nan 0.000 0.480 230 G N -0.517 108.438 108.800 0.259 0.000 2.519 230 G HA2 0.655 4.622 3.960 0.011 0.000 0.292 230 G HA3 0.655 4.622 3.960 0.011 0.000 0.292 230 G C -0.935 174.054 174.900 0.148 0.000 1.507 230 G CA 0.177 45.481 45.100 0.341 0.000 0.806 230 G HN 1.032 nan 8.290 nan 0.000 0.523 231 T N -1.538 113.050 114.554 0.056 0.000 2.889 231 T HA 0.737 5.093 4.350 0.011 0.000 0.315 231 T C -2.393 172.167 174.700 -0.233 0.000 1.291 231 T CA -1.178 60.863 62.100 -0.099 0.000 1.028 231 T CB 3.028 71.819 68.868 -0.128 0.000 1.235 231 T HN 0.314 nan 8.240 nan 0.000 0.491 232 P HA -0.004 nan 4.420 nan 0.000 0.220 232 P C 0.303 177.448 177.300 -0.258 0.000 1.152 232 P CA 0.611 63.593 63.100 -0.197 0.000 0.812 232 P CB -0.064 31.575 31.700 -0.102 0.000 0.792 233 N N 0.736 119.298 118.700 -0.229 0.000 2.347 233 N HA 0.288 5.035 4.740 0.011 0.000 0.253 233 N C 0.763 176.060 175.510 -0.353 0.000 1.274 233 N CA 0.683 53.592 53.050 -0.234 0.000 0.941 233 N CB 0.228 38.621 38.487 -0.156 0.000 1.200 233 N HN 0.215 nan 8.380 nan 0.000 0.514 234 G N -0.712 107.897 108.800 -0.320 0.000 2.525 234 G HA2 -0.115 3.851 3.960 0.011 0.000 0.685 234 G HA3 -0.115 3.851 3.960 0.011 0.000 0.685 234 G C -2.290 172.357 174.900 -0.421 0.000 1.290 234 G CA -0.209 44.650 45.100 -0.403 0.000 0.915 234 G HN 0.555 nan 8.290 nan 0.000 0.548 235 P HA 0.145 nan 4.420 nan 0.000 0.245 235 P C 1.361 178.591 177.300 -0.118 0.000 1.206 235 P CA 1.853 64.804 63.100 -0.248 0.000 0.781 235 P CB -0.048 31.468 31.700 -0.307 0.000 0.994 236 W N -1.712 119.504 121.300 -0.141 0.000 2.942 236 W HA 0.529 5.194 4.660 0.009 0.000 0.260 236 W C 1.183 177.772 176.519 0.117 0.000 1.101 236 W CA 0.458 57.796 57.345 -0.011 0.000 1.436 236 W CB -0.805 28.696 29.460 0.068 0.000 0.883 236 W HN -0.176 nan 8.180 nan 0.000 0.646 237 A N 2.082 124.565 122.820 -0.562 0.000 2.066 237 A HA 0.070 4.396 4.320 0.011 0.000 0.218 237 A C 1.199 178.662 177.584 -0.201 0.000 1.157 237 A CA 2.014 53.812 52.037 -0.397 0.000 0.670 237 A CB -0.913 17.603 19.000 -0.806 0.000 0.804 237 A HN 0.289 nan 8.150 nan 0.000 0.453 238 T N -3.454 110.984 114.554 -0.194 0.000 2.883 238 T HA 0.621 4.978 4.350 0.011 0.000 0.296 238 T C -0.601 174.035 174.700 -0.107 0.000 1.117 238 T CA -0.138 61.862 62.100 -0.167 0.000 1.006 238 T CB 1.476 70.252 68.868 -0.154 0.000 1.191 238 T HN 0.892 nan 8.240 nan 0.000 0.508 239 V N -1.272 118.586 119.914 -0.093 0.000 3.102 239 V HA 0.905 5.031 4.120 0.011 0.000 0.312 239 V C 0.315 176.377 176.094 -0.054 0.000 1.135 239 V CA -0.873 61.386 62.300 -0.068 0.000 1.022 239 V CB 1.331 33.115 31.823 -0.066 0.000 1.056 239 V HN 1.371 nan 8.190 nan 0.000 0.436 240 S N 1.593 117.266 115.700 -0.044 0.000 2.608 240 S HA 0.565 5.041 4.470 0.011 0.000 0.261 240 S C 1.374 175.959 174.600 -0.025 0.000 1.314 240 S CA 0.115 58.296 58.200 -0.033 0.000 0.992 240 S CB 1.124 64.306 63.200 -0.030 0.000 0.935 240 S HN 1.928 nan 8.310 nan 0.000 0.564 241 A N 1.638 124.448 122.820 -0.016 0.000 1.902 241 A HA 0.148 4.475 4.320 0.011 0.000 0.217 241 A C 2.212 179.788 177.584 -0.013 0.000 1.181 241 A CA 1.587 53.618 52.037 -0.010 0.000 0.623 241 A CB -1.807 17.190 19.000 -0.005 0.000 0.818 241 A HN 1.133 nan 8.150 nan 0.000 0.443 242 G N -0.448 108.343 108.800 -0.016 0.000 2.418 242 G HA2 -0.238 3.728 3.960 0.011 0.000 0.217 242 G HA3 -0.238 3.728 3.960 0.011 0.000 0.217 242 G C 1.479 176.366 174.900 -0.022 0.000 1.158 242 G CA 1.382 46.471 45.100 -0.017 0.000 0.771 242 G HN 0.571 nan 8.290 nan 0.000 0.545 243 E N 0.958 121.141 120.200 -0.029 0.000 2.072 243 E HA 0.103 4.460 4.350 0.011 0.000 0.190 243 E C 2.688 179.261 176.600 -0.045 0.000 0.982 243 E CA 1.335 57.711 56.400 -0.040 0.000 0.803 243 E CB -0.573 29.098 29.700 -0.048 0.000 0.755 243 E HN 0.255 nan 8.360 nan 0.000 0.453 244 A N 1.175 123.976 122.820 -0.032 0.000 1.892 244 A HA -0.266 4.060 4.320 0.011 0.000 0.218 244 A C 2.325 179.913 177.584 0.008 0.000 1.188 244 A CA 2.128 54.160 52.037 -0.007 0.000 0.631 244 A CB -0.752 18.256 19.000 0.014 0.000 0.822 244 A HN 0.311 nan 8.150 nan 0.000 0.447 245 R N -0.745 119.753 120.500 -0.004 0.000 2.081 245 R HA -0.143 4.203 4.340 0.011 0.000 0.235 245 R C 2.468 178.764 176.300 -0.006 0.000 1.131 245 R CA 1.625 57.721 56.100 -0.007 0.000 0.960 245 R CB -0.336 29.957 30.300 -0.012 0.000 0.856 245 R HN 0.511 nan 8.270 nan 0.000 0.436 246 R N 0.438 120.930 120.500 -0.014 0.000 2.091 246 R HA -0.136 4.211 4.340 0.011 0.000 0.238 246 R C 2.227 178.520 176.300 -0.013 0.000 1.136 246 R CA 1.880 57.970 56.100 -0.016 0.000 0.959 246 R CB -0.078 30.207 30.300 -0.024 0.000 0.856 246 R HN 0.298 nan 8.270 nan 0.000 0.437 247 R N -0.382 120.102 120.500 -0.028 0.000 2.073 247 R HA -0.010 4.336 4.340 0.011 0.000 0.229 247 R C 2.366 178.728 176.300 0.104 0.000 1.120 247 R CA 1.182 57.258 56.100 -0.040 0.000 0.967 247 R CB -0.329 29.828 30.300 -0.237 0.000 0.862 247 R HN 0.209 nan 8.270 nan 0.000 0.436 248 A N 0.553 123.460 122.820 0.145 0.000 1.908 248 A HA -0.218 4.108 4.320 0.011 0.000 0.218 248 A C 2.269 179.868 177.584 0.024 0.000 1.181 248 A CA 2.226 54.336 52.037 0.122 0.000 0.627 248 A CB -0.904 18.106 19.000 0.017 0.000 0.818 248 A HN 0.444 nan 8.150 nan 0.000 0.445 249 T N -1.884 112.676 114.554 0.009 0.000 2.978 249 T HA -0.035 4.321 4.350 0.011 0.000 0.262 249 T C 1.771 176.472 174.700 0.003 0.000 1.063 249 T CA 1.302 63.396 62.100 -0.010 0.000 1.140 249 T CB -0.333 68.526 68.868 -0.016 0.000 0.886 249 T HN 0.204 nan 8.240 nan 0.000 0.470 250 L N 0.836 122.071 121.223 0.020 0.000 2.046 250 L HA 0.213 4.560 4.340 0.011 0.000 0.208 250 L C 2.276 179.171 176.870 0.040 0.000 1.077 250 L CA 1.635 56.491 54.840 0.027 0.000 0.747 250 L CB -1.098 40.980 42.059 0.032 0.000 0.896 250 L HN 0.397 nan 8.230 nan 0.000 0.432 251 L N -0.269 121.001 121.223 0.079 0.000 2.017 251 L HA -0.136 4.210 4.340 0.011 0.000 0.208 251 L C 2.542 179.409 176.870 -0.005 0.000 1.073 251 L CA 2.042 56.932 54.840 0.084 0.000 0.745 251 L CB -0.857 41.298 42.059 0.160 0.000 0.894 251 L HN 0.291 nan 8.230 nan 0.000 0.432 252 A N -0.200 122.605 122.820 -0.024 0.000 1.873 252 A HA -0.294 4.032 4.320 0.011 0.000 0.218 252 A C 2.390 179.948 177.584 -0.044 0.000 1.193 252 A CA 2.229 54.239 52.037 -0.045 0.000 0.629 252 A CB -0.722 18.248 19.000 -0.051 0.000 0.826 252 A HN 0.529 nan 8.150 nan 0.000 0.447 253 R N -0.747 119.733 120.500 -0.033 0.000 2.096 253 R HA -0.134 4.213 4.340 0.011 0.000 0.240 253 R C 2.062 178.322 176.300 -0.066 0.000 1.139 253 R CA 1.707 57.785 56.100 -0.035 0.000 0.952 253 R CB -0.617 29.671 30.300 -0.019 0.000 0.854 253 R HN 0.550 nan 8.270 nan 0.000 0.436 254 L N 0.715 121.881 121.223 -0.095 0.000 2.275 254 L HA -0.087 4.260 4.340 0.011 0.000 0.215 254 L C 1.978 178.618 176.870 -0.383 0.000 1.119 254 L CA 0.630 55.341 54.840 -0.215 0.000 0.790 254 L CB -0.115 41.817 42.059 -0.211 0.000 0.919 254 L HN 0.164 nan 8.230 nan 0.000 0.443 255 V N -4.222 115.548 119.914 -0.241 0.000 3.542 255 V HA 0.516 4.642 4.120 0.011 0.000 0.296 255 V C 1.120 177.175 176.094 -0.065 0.000 1.364 255 V CA 0.281 62.486 62.300 -0.159 0.000 1.118 255 V CB -0.098 31.682 31.823 -0.072 0.000 0.972 255 V HN 0.409 nan 8.190 nan 0.000 0.430 256 G N -0.470 108.294 108.800 -0.059 0.000 2.130 256 G HA2 -0.208 3.759 3.960 0.011 0.000 0.216 256 G HA3 -0.208 3.759 3.960 0.011 0.000 0.216 256 G C -0.047 174.843 174.900 -0.017 0.000 0.999 256 G CA -0.109 44.975 45.100 -0.027 0.000 0.686 256 G HN 0.665 nan 8.290 nan 0.000 0.515 257 c N 1.960 120.547 118.600 -0.022 0.000 2.298 257 c HA 0.690 5.266 4.570 0.011 0.000 0.323 257 c C -1.013 173.067 174.090 -0.017 0.000 1.284 257 c CA -1.341 54.978 56.329 -0.015 0.000 1.577 257 c CB 1.188 43.689 42.510 -0.016 0.000 2.249 257 c HN 0.467 nan 8.230 nan 0.000 0.497 266 D N 1.449 121.842 120.400 -0.012 0.000 2.194 266 D HA -0.026 4.621 4.640 0.011 0.000 0.204 266 D C 1.355 177.646 176.300 -0.015 0.000 0.964 266 D CA 1.367 55.355 54.000 -0.020 0.000 0.846 266 D CB 0.193 40.979 40.800 -0.023 0.000 0.962 266 D HN 0.579 nan 8.370 nan 0.000 0.490 267 T N 0.896 115.448 114.554 -0.004 0.000 2.720 267 T HA -0.200 4.157 4.350 0.011 0.000 0.268 267 T C 1.800 176.504 174.700 0.007 0.000 1.037 267 T CA 1.451 63.554 62.100 0.005 0.000 1.144 267 T CB -0.109 68.764 68.868 0.009 0.000 0.864 267 T HN 0.297 nan 8.240 nan 0.000 0.444 268 E N 0.363 120.564 120.200 0.002 0.000 2.107 268 E HA -0.046 4.311 4.350 0.011 0.000 0.191 268 E C 2.218 178.819 176.600 0.001 0.000 0.982 268 E CA 0.552 56.954 56.400 0.004 0.000 0.809 268 E CB -0.161 29.540 29.700 0.001 0.000 0.756 268 E HN 0.452 nan 8.360 nan 0.000 0.459 269 L N 0.569 121.786 121.223 -0.010 0.000 2.027 269 L HA -0.133 4.214 4.340 0.011 0.000 0.206 269 L C 2.275 179.131 176.870 -0.023 0.000 1.074 269 L CA 1.180 56.007 54.840 -0.022 0.000 0.745 269 L CB -0.127 41.909 42.059 -0.038 0.000 0.898 269 L HN 0.200 nan 8.230 nan 0.000 0.433 270 I N -0.038 120.517 120.570 -0.024 0.000 2.252 270 I HA -0.245 3.931 4.170 0.011 0.000 0.245 270 I C 2.741 178.907 176.117 0.080 0.000 1.102 270 I CA 1.040 62.338 61.300 -0.004 0.000 1.385 270 I CB -0.543 37.455 38.000 -0.003 0.000 1.064 270 I HN 0.327 nan 8.210 nan 0.000 0.414 271 A N -0.258 122.595 122.820 0.054 0.000 1.933 271 A HA -0.287 4.039 4.320 0.011 0.000 0.218 271 A C 2.525 180.141 177.584 0.054 0.000 1.175 271 A CA 1.915 53.987 52.037 0.057 0.000 0.628 271 A CB -1.307 17.714 19.000 0.035 0.000 0.814 271 A HN 0.628 nan 8.150 nan 0.000 0.444 272 c N -0.652 117.971 118.600 0.039 0.000 2.446 272 c HA 0.033 4.610 4.570 0.011 0.000 0.277 272 c C 2.559 176.680 174.090 0.052 0.000 1.275 272 c CA 1.019 57.368 56.329 0.033 0.000 1.727 272 c CB -1.546 40.973 42.510 0.015 0.000 2.010 272 c HN 0.587 nan 8.230 nan 0.000 0.486 273 L N 0.387 121.654 121.223 0.072 0.000 2.131 273 L HA -0.118 4.229 4.340 0.011 0.000 0.210 273 L C 2.959 179.951 176.870 0.203 0.000 1.092 273 L CA 1.487 56.407 54.840 0.133 0.000 0.759 273 L CB -0.583 41.548 42.059 0.121 0.000 0.903 273 L HN 0.372 nan 8.230 nan 0.000 0.435 274 R N -0.698 119.915 120.500 0.188 0.000 2.235 274 R HA -0.095 4.251 4.340 0.011 0.000 0.213 274 R C 2.096 178.416 176.300 0.033 0.000 1.059 274 R CA 1.587 57.739 56.100 0.086 0.000 0.997 274 R CB -0.333 30.008 30.300 0.068 0.000 0.884 274 R HN 0.491 nan 8.270 nan 0.000 0.462 275 T N -1.564 113.015 114.554 0.042 0.000 3.113 275 T HA 0.105 4.461 4.350 0.011 0.000 0.256 275 T C 0.890 175.604 174.700 0.022 0.000 1.131 275 T CA -0.046 62.068 62.100 0.024 0.000 1.074 275 T CB 0.156 69.038 68.868 0.023 0.000 0.944 275 T HN -0.123 nan 8.240 nan 0.000 0.516 276 R N 2.555 123.075 120.500 0.034 0.000 2.357 276 R HA 0.410 4.756 4.340 0.011 0.000 0.296 276 R C -2.732 173.580 176.300 0.021 0.000 1.052 276 R CA -2.540 53.580 56.100 0.033 0.000 0.988 276 R CB 0.021 30.349 30.300 0.046 0.000 1.025 276 R HN 0.232 nan 8.270 nan 0.000 0.469 277 P HA -0.017 nan 4.420 nan 0.000 0.266 277 P C 0.320 177.602 177.300 -0.030 0.000 1.195 277 P CA 0.216 63.309 63.100 -0.012 0.000 0.768 277 P CB 0.569 32.275 31.700 0.009 0.000 0.838 278 A N 2.741 125.470 122.820 -0.152 0.000 1.917 278 A HA -0.282 4.045 4.320 0.011 0.000 0.219 278 A C 2.153 179.645 177.584 -0.154 0.000 1.182 278 A CA 1.943 53.831 52.037 -0.247 0.000 0.633 278 A CB -1.171 17.194 19.000 -1.058 0.000 0.819 278 A HN 0.543 nan 8.150 nan 0.000 0.448 279 Q N -0.078 119.647 119.800 -0.126 0.000 2.167 279 Q HA -0.140 4.207 4.340 0.011 0.000 0.202 279 Q C 1.285 177.372 176.000 0.146 0.000 0.970 279 Q CA 1.811 57.691 55.803 0.129 0.000 0.855 279 Q CB -0.325 28.523 28.738 0.185 0.000 0.911 279 Q HN 0.626 nan 8.270 nan 0.000 0.438 280 D N -0.460 120.008 120.400 0.114 0.000 2.149 280 D HA -0.150 4.496 4.640 0.011 0.000 0.198 280 D C 1.678 178.103 176.300 0.208 0.000 0.990 280 D CA 1.009 55.109 54.000 0.168 0.000 0.839 280 D CB -0.089 40.794 40.800 0.138 0.000 0.948 280 D HN 0.307 nan 8.370 nan 0.000 0.460 281 L N 0.028 121.323 121.223 0.120 0.000 2.027 281 L HA -0.116 4.231 4.340 0.011 0.000 0.206 281 L C 2.489 179.404 176.870 0.074 0.000 1.074 281 L CA 0.618 55.483 54.840 0.041 0.000 0.745 281 L CB -0.505 41.460 42.059 -0.156 0.000 0.898 281 L HN -0.035 nan 8.230 nan 0.000 0.433 282 V N -0.070 119.946 119.914 0.169 0.000 2.343 282 V HA -0.282 3.844 4.120 0.011 0.000 0.247 282 V C 2.014 178.218 176.094 0.182 0.000 1.051 282 V CA 1.861 64.312 62.300 0.251 0.000 1.036 282 V CB -0.590 31.498 31.823 0.442 0.000 0.654 282 V HN 0.419 nan 8.190 nan 0.000 0.451 283 D N -0.702 119.767 120.400 0.114 0.000 2.263 283 D HA -0.136 4.510 4.640 0.011 0.000 0.208 283 D C 1.686 177.750 176.300 -0.393 0.000 0.971 283 D CA 1.344 55.300 54.000 -0.073 0.000 0.867 283 D CB -0.229 40.491 40.800 -0.134 0.000 0.929 283 D HN 0.651 nan 8.370 nan 0.000 0.492 284 H N -0.987 118.052 119.070 -0.052 0.000 2.755 284 H HA 0.190 4.752 4.556 0.011 0.000 0.273 284 H C 1.506 176.748 175.328 -0.143 0.000 1.055 284 H CA -0.122 55.820 56.048 -0.177 0.000 1.191 284 H CB 0.591 30.386 29.762 0.055 0.000 1.536 284 H HN 0.080 nan 8.280 nan 0.000 0.529 285 E N 0.639 120.821 120.200 -0.030 0.000 2.070 285 E HA -0.226 4.131 4.350 0.011 0.000 0.197 285 E C 0.667 177.122 176.600 -0.241 0.000 1.004 285 E CA 1.551 57.917 56.400 -0.056 0.000 0.805 285 E CB -0.031 29.537 29.700 -0.220 0.000 0.744 285 E HN 0.594 nan 8.360 nan 0.000 0.451 286 W N -0.293 120.928 121.300 -0.132 0.000 2.937 286 W HA -0.019 4.647 4.660 0.010 0.000 0.245 286 W C 1.686 178.240 176.519 0.058 0.000 1.306 286 W CA 0.079 57.356 57.345 -0.114 0.000 1.470 286 W CB 0.149 29.489 29.460 -0.200 0.000 1.132 286 W HN 0.223 nan 8.180 nan 0.000 0.675 287 H N -0.496 118.690 119.070 0.193 0.000 2.556 287 H HA 0.018 4.580 4.556 0.011 0.000 0.268 287 H C 2.020 177.399 175.328 0.085 0.000 0.996 287 H CA 1.039 57.178 56.048 0.152 0.000 1.157 287 H CB -0.618 29.261 29.762 0.195 0.000 1.355 287 H HN 0.242 nan 8.280 nan 0.000 0.597 288 V N -2.409 117.589 119.914 0.140 0.000 3.578 288 V HA 0.237 4.363 4.120 0.011 0.000 0.290 288 V C 0.739 176.810 176.094 -0.038 0.000 1.376 288 V CA -0.184 62.134 62.300 0.030 0.000 1.083 288 V CB -0.344 31.462 31.823 -0.027 0.000 0.911 288 V HN -0.015 nan 8.190 nan 0.000 0.433 289 L N 2.421 123.639 121.223 -0.009 0.000 2.453 289 L HA 0.254 4.601 4.340 0.011 0.000 0.272 289 L C -0.376 176.490 176.870 -0.006 0.000 1.182 289 L CA -1.011 53.815 54.840 -0.023 0.000 0.858 289 L CB 0.815 42.889 42.059 0.027 0.000 1.120 289 L HN 0.145 nan 8.230 nan 0.000 0.474 290 P HA -0.085 nan 4.420 nan 0.000 0.217 290 P C -0.212 177.086 177.300 -0.003 0.000 1.151 290 P CA 1.115 64.206 63.100 -0.014 0.000 0.828 290 P CB 0.402 32.089 31.700 -0.023 0.000 0.788 291 Q N -0.920 118.879 119.800 -0.001 0.000 2.458 291 Q HA 0.350 4.697 4.340 0.011 0.000 0.282 291 Q C -0.414 175.592 176.000 0.010 0.000 1.106 291 Q CA -0.808 54.997 55.803 0.003 0.000 0.814 291 Q CB 1.221 29.959 28.738 -0.001 0.000 1.425 291 Q HN -0.006 nan 8.270 nan 0.000 0.437 292 E N 1.039 121.245 120.200 0.009 0.000 2.417 292 E HA 0.266 4.622 4.350 0.011 0.000 0.261 292 E C -1.051 175.550 176.600 0.003 0.000 1.000 292 E CA 0.100 56.506 56.400 0.009 0.000 0.919 292 E CB 0.292 29.995 29.700 0.006 0.000 0.955 292 E HN 0.598 nan 8.360 nan 0.000 0.455 293 S N 3.770 119.470 115.700 0.001 0.000 2.565 293 S HA 0.579 5.056 4.470 0.011 0.000 0.269 293 S C -0.497 174.094 174.600 -0.015 0.000 1.153 293 S CA -1.047 57.148 58.200 -0.009 0.000 0.835 293 S CB 0.716 63.906 63.200 -0.016 0.000 1.122 293 S HN 0.559 nan 8.310 nan 0.000 0.462 294 I N -2.162 118.402 120.570 -0.010 0.000 2.910 294 I HA 0.828 5.005 4.170 0.011 0.000 0.310 294 I C -0.070 176.036 176.117 -0.018 0.000 1.043 294 I CA -1.150 60.152 61.300 0.004 0.000 1.053 294 I CB 1.028 39.069 38.000 0.068 0.000 1.242 294 I HN 0.789 nan 8.210 nan 0.000 0.452 295 F N 1.547 121.324 119.950 -0.288 0.000 3.091 295 F HA -0.182 4.351 4.527 0.011 0.000 0.288 295 F C -0.319 174.924 175.800 -0.930 0.000 0.907 295 F CA 0.638 58.253 58.000 -0.641 0.000 1.028 295 F CB -0.657 37.940 39.000 -0.672 0.000 1.022 295 F HN 0.589 nan 8.300 nan 0.000 0.665 296 R N 0.367 120.378 120.500 -0.815 0.000 2.628 296 R HA 0.649 4.995 4.340 0.011 0.000 0.288 296 R C -1.069 174.768 176.300 -0.772 0.000 0.980 296 R CA -0.564 55.102 56.100 -0.723 0.000 0.891 296 R CB 1.383 31.549 30.300 -0.225 0.000 1.188 296 R HN -0.012 nan 8.270 nan 0.000 0.450 297 F N -0.699 119.347 119.950 0.161 0.000 2.556 297 F HA 0.360 4.893 4.527 0.010 0.000 0.314 297 F C 1.425 177.146 175.800 -0.131 0.000 1.106 297 F CA -0.850 57.173 58.000 0.038 0.000 0.911 297 F CB 1.949 41.090 39.000 0.234 0.000 1.190 297 F HN 0.345 nan 8.300 nan 0.000 0.448 298 S N 0.894 116.460 115.700 -0.223 0.000 2.371 298 S HA 0.026 4.502 4.470 0.011 0.000 0.224 298 S C -0.011 174.138 174.600 -0.752 0.000 1.029 298 S CA 1.111 58.975 58.200 -0.559 0.000 0.978 298 S CB -0.183 62.559 63.200 -0.764 0.000 0.833 298 S HN 0.357 nan 8.310 nan 0.000 0.466 299 F N 1.594 121.550 119.950 0.009 0.000 2.434 299 F HA 0.551 5.085 4.527 0.011 0.000 0.355 299 F C -0.065 175.744 175.800 0.015 0.000 1.115 299 F CA -1.007 57.031 58.000 0.063 0.000 1.010 299 F CB 1.271 40.335 39.000 0.106 0.000 1.234 299 F HN -0.118 nan 8.300 nan 0.000 0.439 300 V N 0.567 120.451 119.914 -0.050 0.000 3.167 300 V HA 0.764 4.890 4.120 0.011 0.000 0.310 300 V C -2.895 172.861 176.094 -0.563 0.000 1.207 300 V CA -3.369 58.577 62.300 -0.590 0.000 1.059 300 V CB 2.007 33.686 31.823 -0.240 0.000 1.079 300 V HN 0.244 nan 8.190 nan 0.000 0.446 301 P HA 0.110 nan 4.420 nan 0.000 0.263 301 P C -0.623 176.567 177.300 -0.183 0.000 1.175 301 P CA 0.529 63.392 63.100 -0.396 0.000 0.761 301 P CB 0.481 31.876 31.700 -0.508 0.000 0.794 302 V N 5.306 125.181 119.914 -0.066 0.000 2.483 302 V HA 0.208 4.335 4.120 0.011 0.000 0.295 302 V C -0.237 175.847 176.094 -0.017 0.000 1.035 302 V CA -0.836 61.445 62.300 -0.032 0.000 0.896 302 V CB 1.898 33.726 31.823 0.008 0.000 0.986 302 V HN 0.147 nan 8.190 nan 0.000 0.447 303 V N 7.757 127.660 119.914 -0.019 0.000 2.341 303 V HA 0.163 4.290 4.120 0.011 0.000 0.248 303 V C 0.862 176.965 176.094 0.014 0.000 1.107 303 V CA 0.375 62.676 62.300 0.001 0.000 1.069 303 V CB 0.115 31.930 31.823 -0.014 0.000 1.177 303 V HN 1.060 nan 8.190 nan 0.000 0.492 304 D N 2.765 123.188 120.400 0.037 0.000 2.367 304 D HA 0.116 4.762 4.640 0.011 0.000 0.207 304 D C 1.476 177.799 176.300 0.039 0.000 1.034 304 D CA 0.667 54.691 54.000 0.040 0.000 0.861 304 D CB 0.426 41.261 40.800 0.057 0.000 0.943 304 D HN 0.694 nan 8.370 nan 0.000 0.515 305 G N 0.890 109.714 108.800 0.040 0.000 2.147 305 G HA2 -0.299 3.668 3.960 0.011 0.000 0.244 305 G HA3 -0.299 3.668 3.960 0.011 0.000 0.244 305 G C 0.223 175.144 174.900 0.035 0.000 1.005 305 G CA 0.760 45.878 45.100 0.029 0.000 0.713 305 G HN 0.574 nan 8.290 nan 0.000 0.515 306 D N -1.923 118.513 120.400 0.061 0.000 2.797 306 D HA 0.181 4.828 4.640 0.011 0.000 0.151 306 D C 1.593 177.943 176.300 0.084 0.000 1.472 306 D CA 0.503 54.542 54.000 0.065 0.000 1.553 306 D CB -0.756 40.091 40.800 0.078 0.000 1.590 306 D HN 0.096 nan 8.370 nan 0.000 0.217 307 F N 1.380 121.337 119.950 0.011 0.000 2.095 307 F HA 0.183 4.716 4.527 0.010 0.000 0.298 307 F C 0.638 176.438 175.800 -0.001 0.000 1.104 307 F CA 1.299 59.305 58.000 0.009 0.000 1.232 307 F CB 0.140 39.142 39.000 0.004 0.000 0.987 307 F HN 0.007 nan 8.300 nan 0.000 0.475 308 L N 0.952 122.331 121.223 0.259 0.000 2.283 308 L HA 0.187 4.533 4.340 0.011 0.000 0.281 308 L C 1.399 178.309 176.870 0.066 0.000 1.033 308 L CA -0.205 54.721 54.840 0.143 0.000 0.848 308 L CB 1.167 43.307 42.059 0.135 0.000 1.226 308 L HN 0.103 nan 8.230 nan 0.000 0.429 309 S N 0.370 116.087 115.700 0.029 0.000 2.419 309 S HA -0.060 4.417 4.470 0.011 0.000 0.233 309 S C 0.538 175.145 174.600 0.012 0.000 1.016 309 S CA 0.672 58.880 58.200 0.013 0.000 0.974 309 S CB 0.154 63.351 63.200 -0.006 0.000 0.786 309 S HN 0.677 nan 8.310 nan 0.000 0.492 310 D N 0.277 120.685 120.400 0.014 0.000 2.752 310 D HA 0.337 4.984 4.640 0.011 0.000 0.313 310 D C -0.784 175.519 176.300 0.006 0.000 1.225 310 D CA -0.062 53.942 54.000 0.007 0.000 0.976 310 D CB 1.628 42.430 40.800 0.003 0.000 1.443 310 D HN 0.237 nan 8.370 nan 0.000 0.515 311 T N -0.845 113.706 114.554 -0.006 0.000 2.932 311 T HA 0.186 4.542 4.350 0.011 0.000 0.312 311 T C -1.823 172.869 174.700 -0.013 0.000 1.071 311 T CA -0.731 61.358 62.100 -0.019 0.000 1.128 311 T CB 0.914 69.764 68.868 -0.029 0.000 0.984 311 T HN 0.114 nan 8.240 nan 0.000 0.549 312 P HA -0.115 nan 4.420 nan 0.000 0.217 312 P C 1.489 178.778 177.300 -0.019 0.000 1.148 312 P CA 0.972 64.057 63.100 -0.024 0.000 0.828 312 P CB 0.100 31.758 31.700 -0.071 0.000 0.783 313 E N -0.504 119.674 120.200 -0.035 0.000 2.051 313 E HA -0.207 4.149 4.350 0.011 0.000 0.192 313 E C 1.943 178.544 176.600 0.002 0.000 0.991 313 E CA 1.300 57.685 56.400 -0.026 0.000 0.799 313 E CB -0.406 29.271 29.700 -0.037 0.000 0.748 313 E HN 0.088 nan 8.360 nan 0.000 0.449 314 A N 0.964 123.785 122.820 0.002 0.000 1.877 314 A HA -0.149 4.177 4.320 0.011 0.000 0.216 314 A C 2.207 179.811 177.584 0.033 0.000 1.186 314 A CA 1.110 53.154 52.037 0.011 0.000 0.620 314 A CB -0.647 18.354 19.000 0.002 0.000 0.822 314 A HN 0.253 nan 8.150 nan 0.000 0.443 315 L N -0.072 121.179 121.223 0.047 0.000 2.093 315 L HA -0.131 4.215 4.340 0.011 0.000 0.208 315 L C 2.589 179.573 176.870 0.190 0.000 1.085 315 L CA 1.465 56.358 54.840 0.087 0.000 0.755 315 L CB -0.639 41.473 42.059 0.089 0.000 0.904 315 L HN 0.685 nan 8.230 nan 0.000 0.435 316 I N -2.725 117.946 120.570 0.168 0.000 2.439 316 I HA -0.134 4.042 4.170 0.011 0.000 0.251 316 I C 1.980 178.224 176.117 0.213 0.000 1.139 316 I CA 1.318 62.754 61.300 0.226 0.000 1.438 316 I CB -0.399 37.630 38.000 0.049 0.000 1.085 316 I HN 0.156 nan 8.210 nan 0.000 0.427 317 N N 1.248 120.016 118.700 0.112 0.000 2.331 317 N HA -0.102 4.644 4.740 0.011 0.000 0.180 317 N C 1.788 177.341 175.510 0.072 0.000 1.019 317 N CA 2.006 55.105 53.050 0.081 0.000 0.881 317 N CB -0.275 38.237 38.487 0.042 0.000 0.972 317 N HN 0.705 nan 8.380 nan 0.000 0.435 318 T N -3.876 110.711 114.554 0.055 0.000 3.040 318 T HA 0.313 4.669 4.350 0.011 0.000 0.266 318 T C 0.918 175.568 174.700 -0.082 0.000 1.005 318 T CA -0.394 61.703 62.100 -0.004 0.000 0.906 318 T CB 0.105 68.964 68.868 -0.016 0.000 1.082 318 T HN 0.029 nan 8.240 nan 0.000 0.531 319 G N 0.960 109.688 108.800 -0.120 0.000 2.569 319 G HA2 0.406 4.372 3.960 0.011 0.000 0.249 319 G HA3 0.406 4.372 3.960 0.011 0.000 0.249 319 G C -1.028 173.393 174.900 -0.799 0.000 1.216 319 G CA -0.367 44.381 45.100 -0.587 0.000 0.845 319 G HN 0.313 nan 8.290 nan 0.000 0.568 320 D N 0.262 120.157 120.400 -0.840 0.000 2.392 320 D HA 0.349 4.995 4.640 0.011 0.000 0.228 320 D C -0.664 175.266 176.300 -0.617 0.000 1.074 320 D CA -0.738 52.942 54.000 -0.533 0.000 0.838 320 D CB 0.608 41.244 40.800 -0.273 0.000 1.067 320 D HN 0.085 nan 8.370 nan 0.000 0.511 321 F N 2.387 122.339 119.950 0.003 0.000 2.928 321 F HA 0.268 4.802 4.527 0.011 0.000 0.337 321 F C 1.862 177.667 175.800 0.008 0.000 1.259 321 F CA -0.439 57.566 58.000 0.009 0.000 1.267 321 F CB 0.438 39.452 39.000 0.022 0.000 0.986 321 F HN 0.381 nan 8.300 nan 0.000 0.507 322 Q N 0.268 120.124 119.800 0.094 0.000 2.137 322 Q HA -0.094 4.252 4.340 0.011 0.000 0.198 322 Q C 0.144 176.179 176.000 0.058 0.000 0.960 322 Q CA 1.339 57.181 55.803 0.065 0.000 0.847 322 Q CB 0.174 28.922 28.738 0.017 0.000 0.915 322 Q HN 0.336 nan 8.270 nan 0.000 0.448 323 D N 0.175 120.602 120.400 0.045 0.000 3.071 323 D HA 0.204 4.850 4.640 0.011 0.000 0.259 323 D C -1.371 174.955 176.300 0.043 0.000 1.331 323 D CA 0.009 54.027 54.000 0.031 0.000 0.861 323 D CB 0.494 41.298 40.800 0.006 0.000 1.059 323 D HN 0.010 nan 8.370 nan 0.000 0.486 324 L N 0.933 122.206 121.223 0.082 0.000 2.409 324 L HA 0.450 4.796 4.340 0.011 0.000 0.272 324 L C -1.341 175.600 176.870 0.119 0.000 0.980 324 L CA -0.577 54.324 54.840 0.103 0.000 0.826 324 L CB 1.800 43.952 42.059 0.155 0.000 1.268 324 L HN -0.149 nan 8.230 nan 0.000 0.407 325 Q N 3.445 123.328 119.800 0.137 0.000 2.312 325 Q HA 0.819 5.165 4.340 0.011 0.000 0.263 325 Q C -1.364 174.882 176.000 0.409 0.000 0.995 325 Q CA -0.506 55.434 55.803 0.228 0.000 0.853 325 Q CB 2.604 31.428 28.738 0.144 0.000 1.300 325 Q HN 0.470 nan 8.270 nan 0.000 0.448 326 V N 2.213 122.357 119.914 0.384 0.000 2.760 326 V HA 0.508 4.634 4.120 0.011 0.000 0.309 326 V C -1.439 174.617 176.094 -0.064 0.000 1.077 326 V CA -0.900 61.532 62.300 0.220 0.000 0.910 326 V CB 1.928 33.789 31.823 0.064 0.000 1.008 326 V HN 0.601 nan 8.190 nan 0.000 0.424 327 L N 6.049 127.021 121.223 -0.420 0.000 2.313 327 L HA 0.927 5.274 4.340 0.011 0.000 0.283 327 L C -0.495 176.252 176.870 -0.205 0.000 1.013 327 L CA -0.219 54.288 54.840 -0.555 0.000 0.816 327 L CB 1.717 43.007 42.059 -1.281 0.000 1.236 327 L HN 0.702 nan 8.230 nan 0.000 0.419 328 V N 2.035 121.900 119.914 -0.081 0.000 2.971 328 V HA 1.118 5.245 4.120 0.011 0.000 0.309 328 V C -0.367 175.524 176.094 -0.339 0.000 1.130 328 V CA 0.291 62.528 62.300 -0.105 0.000 0.964 328 V CB 1.203 32.934 31.823 -0.154 0.000 1.029 328 V HN 1.091 nan 8.190 nan 0.000 0.427 329 G N 1.300 109.749 108.800 -0.585 0.000 2.488 329 G HA2 0.823 4.789 3.960 0.011 0.000 0.301 329 G HA3 0.823 4.789 3.960 0.011 0.000 0.301 329 G C -1.161 173.431 174.900 -0.514 0.000 1.339 329 G CA 0.064 44.428 45.100 -1.227 0.000 0.803 329 G HN 2.131 nan 8.290 nan 0.000 0.482 330 V N -2.377 117.359 119.914 -0.296 0.000 3.159 330 V HA 0.911 5.037 4.120 0.011 0.000 0.308 330 V C 0.224 176.516 176.094 0.330 0.000 1.190 330 V CA -0.409 61.948 62.300 0.095 0.000 1.037 330 V CB 1.115 32.972 31.823 0.058 0.000 1.060 330 V HN 1.857 nan 8.190 nan 0.000 0.437 331 V N -0.142 119.986 119.914 0.358 0.000 3.109 331 V HA 0.567 4.693 4.120 0.011 0.000 0.317 331 V C 1.394 177.687 176.094 0.332 0.000 1.074 331 V CA 0.093 62.654 62.300 0.434 0.000 1.033 331 V CB 1.271 33.345 31.823 0.418 0.000 1.111 331 V HN 1.110 nan 8.190 nan 0.000 0.458 332 K N -0.155 120.434 120.400 0.314 0.000 2.148 332 K HA -0.049 4.277 4.320 0.011 0.000 0.204 332 K C 0.288 177.018 176.600 0.216 0.000 1.050 332 K CA 1.758 58.184 56.287 0.232 0.000 0.942 332 K CB 0.092 32.701 32.500 0.183 0.000 0.724 332 K HN 0.907 nan 8.250 nan 0.000 0.446 333 D N 1.175 121.713 120.400 0.230 0.000 2.502 333 D HA 0.034 4.680 4.640 0.011 0.000 0.301 333 D C 0.063 176.515 176.300 0.254 0.000 1.202 333 D CA -0.097 54.032 54.000 0.216 0.000 0.878 333 D CB 1.424 42.330 40.800 0.177 0.000 1.062 333 D HN 0.127 nan 8.370 nan 0.000 0.499 334 E N 0.688 121.051 120.200 0.272 0.000 2.110 334 E HA -0.116 4.240 4.350 0.011 0.000 0.193 334 E C 1.992 178.820 176.600 0.379 0.000 0.988 334 E CA 0.729 57.331 56.400 0.336 0.000 0.804 334 E CB 0.127 29.986 29.700 0.266 0.000 0.745 334 E HN 0.460 nan 8.360 nan 0.000 0.458 335 G N 1.062 110.041 108.800 0.297 0.000 2.494 335 G HA2 -0.184 3.782 3.960 0.011 0.000 0.216 335 G HA3 -0.184 3.782 3.960 0.011 0.000 0.216 335 G C 1.764 176.871 174.900 0.346 0.000 1.140 335 G CA 0.938 46.231 45.100 0.322 0.000 0.801 335 G HN 0.371 nan 8.290 nan 0.000 0.536 336 S N 0.346 116.205 115.700 0.264 0.000 2.359 336 S HA -0.260 4.216 4.470 0.011 0.000 0.224 336 S C 2.156 176.799 174.600 0.071 0.000 1.035 336 S CA 1.428 59.748 58.200 0.199 0.000 1.018 336 S CB -0.849 62.392 63.200 0.068 0.000 0.876 336 S HN 0.486 nan 8.310 nan 0.000 0.448 337 Y N 2.013 122.205 120.300 -0.179 0.000 2.193 337 Y HA -0.141 4.415 4.550 0.011 0.000 0.285 337 Y C 1.698 177.424 175.900 -0.290 0.000 1.166 337 Y CA 1.538 59.369 58.100 -0.449 0.000 1.181 337 Y CB -0.632 37.456 38.460 -0.619 0.000 0.976 337 Y HN 0.255 nan 8.280 nan 0.000 0.520 338 F N -0.302 119.643 119.950 -0.009 0.000 2.407 338 F HA -0.089 4.444 4.527 0.010 0.000 0.299 338 F C 1.962 177.739 175.800 -0.037 0.000 1.097 338 F CA 0.704 58.672 58.000 -0.054 0.000 1.422 338 F CB -0.356 38.635 39.000 -0.014 0.000 1.067 338 F HN 0.039 nan 8.300 nan 0.000 0.539 339 L N -0.101 121.165 121.223 0.071 0.000 2.201 339 L HA -0.127 4.219 4.340 0.011 0.000 0.212 339 L C 2.324 179.186 176.870 -0.014 0.000 1.105 339 L CA 0.937 55.698 54.840 -0.131 0.000 0.775 339 L CB -0.769 41.014 42.059 -0.460 0.000 0.913 339 L HN 0.180 nan 8.230 nan 0.000 0.440 340 V N -5.040 114.908 119.914 0.057 0.000 3.461 340 V HA -0.114 4.012 4.120 0.011 0.000 0.267 340 V C 1.134 177.086 176.094 -0.238 0.000 1.186 340 V CA 0.548 62.867 62.300 0.032 0.000 1.154 340 V CB -0.992 30.904 31.823 0.121 0.000 0.802 340 V HN 0.285 nan 8.190 nan 0.000 0.474 341 Y N 1.789 122.042 120.300 -0.079 0.000 2.718 341 Y HA 0.689 5.245 4.550 0.010 0.000 0.322 341 Y C 1.611 177.451 175.900 -0.101 0.000 1.122 341 Y CA 0.306 58.333 58.100 -0.123 0.000 1.348 341 Y CB 0.550 38.896 38.460 -0.189 0.000 1.174 341 Y HN 0.395 nan 8.280 nan 0.000 0.523 342 G N -1.468 107.343 108.800 0.019 0.000 3.509 342 G HA2 -0.117 3.849 3.960 0.011 0.000 0.220 342 G HA3 -0.117 3.849 3.960 0.011 0.000 0.220 342 G C -0.642 174.276 174.900 0.029 0.000 0.951 342 G CA -0.507 44.599 45.100 0.010 0.000 0.844 342 G HN -0.031 nan 8.290 nan 0.000 0.568 343 V N 3.290 123.231 119.914 0.044 0.000 2.408 343 V HA 0.398 4.524 4.120 0.011 0.000 0.267 343 V C -1.884 174.354 176.094 0.239 0.000 1.047 343 V CA -1.402 60.955 62.300 0.096 0.000 0.937 343 V CB 1.069 32.868 31.823 -0.039 0.000 0.999 343 V HN 0.090 nan 8.190 nan 0.000 0.472 344 P HA 0.301 nan 4.420 nan 0.000 0.268 344 P C 0.980 178.376 177.300 0.161 0.000 1.204 344 P CA 1.040 64.222 63.100 0.135 0.000 0.768 344 P CB 0.777 32.520 31.700 0.071 0.000 0.842 345 G N 0.966 109.797 108.800 0.052 0.000 2.218 345 G HA2 -0.193 3.773 3.960 0.011 0.000 0.216 345 G HA3 -0.193 3.773 3.960 0.011 0.000 0.216 345 G C -0.252 174.449 174.900 -0.332 0.000 0.994 345 G CA -0.605 44.402 45.100 -0.156 0.000 0.637 345 G HN 0.396 nan 8.290 nan 0.000 0.505 346 F N 1.388 121.321 119.950 -0.029 0.000 2.469 346 F HA 0.811 5.345 4.527 0.010 0.000 0.332 346 F C 0.496 176.351 175.800 0.091 0.000 1.103 346 F CA -0.216 57.777 58.000 -0.012 0.000 0.979 346 F CB 2.398 41.427 39.000 0.048 0.000 1.137 346 F HN 0.172 nan 8.300 nan 0.000 0.463 347 S N 1.646 117.544 115.700 0.330 0.000 2.547 347 S HA 0.259 4.735 4.470 0.011 0.000 0.270 347 S C 0.232 175.097 174.600 0.442 0.000 1.150 347 S CA -0.855 57.543 58.200 0.331 0.000 0.850 347 S CB 1.389 64.694 63.200 0.174 0.000 1.118 347 S HN 0.784 nan 8.310 nan 0.000 0.461 348 K N 1.242 121.794 120.400 0.252 0.000 2.365 348 K HA 0.083 4.409 4.320 0.011 0.000 0.199 348 K C -0.011 176.595 176.600 0.010 0.000 1.045 348 K CA 1.196 57.537 56.287 0.090 0.000 0.962 348 K CB -0.119 32.151 32.500 -0.382 0.000 0.759 348 K HN 0.466 nan 8.250 nan 0.000 0.469 349 D N 0.983 121.373 120.400 -0.017 0.000 2.349 349 D HA 0.023 4.670 4.640 0.011 0.000 0.214 349 D C -0.283 176.032 176.300 0.026 0.000 1.063 349 D CA 0.211 54.184 54.000 -0.047 0.000 0.847 349 D CB 0.143 40.895 40.800 -0.080 0.000 0.933 349 D HN 0.494 nan 8.370 nan 0.000 0.513 350 N N -1.059 117.694 118.700 0.088 0.000 3.157 350 N HA 0.118 4.865 4.740 0.011 0.000 0.291 350 N C 0.422 175.979 175.510 0.078 0.000 1.515 350 N CA -0.513 52.568 53.050 0.051 0.000 0.807 350 N CB 0.861 39.336 38.487 -0.020 0.000 1.672 350 N HN -0.443 nan 8.380 nan 0.000 0.592 351 E N -0.489 119.682 120.200 -0.048 0.000 2.482 351 E HA 0.043 4.399 4.350 0.011 0.000 0.196 351 E C -0.347 175.897 176.600 -0.592 0.000 1.047 351 E CA 0.373 56.672 56.400 -0.167 0.000 0.869 351 E CB -0.607 29.035 29.700 -0.097 0.000 0.836 351 E HN 0.590 nan 8.360 nan 0.000 0.520 352 S N -0.008 115.367 115.700 -0.542 0.000 3.587 352 S HA -0.191 4.285 4.470 0.011 0.000 0.337 352 S C 0.347 174.499 174.600 -0.748 0.000 1.119 352 S CA 0.154 57.890 58.200 -0.774 0.000 0.976 352 S CB -1.869 60.627 63.200 -1.173 0.000 0.922 352 S HN 0.301 nan 8.310 nan 0.000 0.503 353 L N 1.733 122.675 121.223 -0.467 0.000 2.477 353 L HA 0.360 4.707 4.340 0.011 0.000 0.272 353 L C 0.728 177.391 176.870 -0.344 0.000 1.157 353 L CA 0.203 54.835 54.840 -0.347 0.000 0.889 353 L CB 0.028 41.956 42.059 -0.219 0.000 1.158 353 L HN 0.444 nan 8.230 nan 0.000 0.473 354 I N 0.249 120.620 120.570 -0.330 0.000 2.910 354 I HA 0.622 4.798 4.170 0.011 0.000 0.310 354 I C 0.478 176.518 176.117 -0.129 0.000 1.043 354 I CA -0.675 60.466 61.300 -0.265 0.000 1.053 354 I CB 2.001 39.810 38.000 -0.318 0.000 1.242 354 I HN 0.550 nan 8.210 nan 0.000 0.452 355 S N 2.716 118.372 115.700 -0.073 0.000 2.645 355 S HA 0.378 4.855 4.470 0.011 0.000 0.266 355 S C 0.942 175.565 174.600 0.038 0.000 1.258 355 S CA -0.488 57.697 58.200 -0.023 0.000 0.990 355 S CB 1.498 64.691 63.200 -0.012 0.000 0.967 355 S HN 0.864 nan 8.310 nan 0.000 0.556 356 R N 0.311 120.839 120.500 0.047 0.000 2.081 356 R HA -0.079 4.268 4.340 0.011 0.000 0.235 356 R C 2.459 178.858 176.300 0.164 0.000 1.131 356 R CA 1.448 57.617 56.100 0.114 0.000 0.960 356 R CB -1.079 29.265 30.300 0.074 0.000 0.856 356 R HN 0.853 nan 8.270 nan 0.000 0.436 357 A N 0.654 123.532 122.820 0.097 0.000 1.908 357 A HA -0.244 4.082 4.320 0.011 0.000 0.218 357 A C 2.021 179.659 177.584 0.089 0.000 1.181 357 A CA 1.568 53.654 52.037 0.082 0.000 0.627 357 A CB -0.492 18.538 19.000 0.049 0.000 0.818 357 A HN 0.478 nan 8.150 nan 0.000 0.445 358 Q N -1.880 117.975 119.800 0.091 0.000 2.119 358 Q HA -0.124 4.222 4.340 0.011 0.000 0.201 358 Q C 1.902 178.010 176.000 0.180 0.000 0.972 358 Q CA 1.466 57.330 55.803 0.102 0.000 0.847 358 Q CB -0.301 28.468 28.738 0.051 0.000 0.903 358 Q HN 0.788 nan 8.270 nan 0.000 0.433 359 F N 1.322 121.306 119.950 0.056 0.000 2.069 359 F HA -0.256 4.278 4.527 0.010 0.000 0.298 359 F C 1.831 177.670 175.800 0.065 0.000 1.113 359 F CA 1.264 59.309 58.000 0.075 0.000 1.214 359 F CB -0.017 39.012 39.000 0.047 0.000 0.978 359 F HN -0.033 nan 8.300 nan 0.000 0.474 360 L N 0.128 121.334 121.223 -0.030 0.000 2.042 360 L HA -0.250 4.096 4.340 0.011 0.000 0.210 360 L C 2.839 179.647 176.870 -0.104 0.000 1.076 360 L CA 1.214 55.980 54.840 -0.123 0.000 0.749 360 L CB -1.436 40.633 42.059 0.017 0.000 0.893 360 L HN 0.296 nan 8.230 nan 0.000 0.432 361 A N 0.548 123.352 122.820 -0.028 0.000 1.902 361 A HA -0.114 4.213 4.320 0.011 0.000 0.217 361 A C 2.435 180.002 177.584 -0.028 0.000 1.181 361 A CA 1.720 53.750 52.037 -0.012 0.000 0.623 361 A CB -1.248 17.766 19.000 0.024 0.000 0.818 361 A HN 0.440 nan 8.150 nan 0.000 0.443 362 G N -0.620 108.168 108.800 -0.019 0.000 2.422 362 G HA2 -0.117 3.850 3.960 0.011 0.000 0.218 362 G HA3 -0.117 3.850 3.960 0.011 0.000 0.218 362 G C 1.481 176.313 174.900 -0.114 0.000 1.146 362 G CA 1.218 46.306 45.100 -0.021 0.000 0.769 362 G HN 0.323 nan 8.290 nan 0.000 0.547 363 V N 0.924 120.698 119.914 -0.234 0.000 2.407 363 V HA -0.129 3.997 4.120 0.011 0.000 0.248 363 V C 2.976 178.999 176.094 -0.119 0.000 1.055 363 V CA 1.612 63.769 62.300 -0.239 0.000 1.049 363 V CB -0.369 31.230 31.823 -0.373 0.000 0.662 363 V HN 0.219 nan 8.190 nan 0.000 0.455 364 R N -0.052 120.395 120.500 -0.089 0.000 2.096 364 R HA 0.014 4.361 4.340 0.011 0.000 0.235 364 R C 2.032 178.312 176.300 -0.033 0.000 1.127 364 R CA 1.378 57.450 56.100 -0.047 0.000 0.968 364 R CB -0.861 29.421 30.300 -0.031 0.000 0.861 364 R HN 0.476 nan 8.270 nan 0.000 0.440 365 I N -0.402 120.148 120.570 -0.033 0.000 2.406 365 I HA -0.066 4.111 4.170 0.011 0.000 0.249 365 I C 2.205 178.310 176.117 -0.020 0.000 1.122 365 I CA 1.384 62.672 61.300 -0.019 0.000 1.431 365 I CB -0.370 37.624 38.000 -0.010 0.000 1.087 365 I HN 0.184 nan 8.210 nan 0.000 0.424 366 G N 0.128 108.907 108.800 -0.036 0.000 2.623 366 G HA2 0.033 4.000 3.960 0.011 0.000 0.214 366 G HA3 0.033 4.000 3.960 0.011 0.000 0.214 366 G C 0.759 175.651 174.900 -0.014 0.000 1.138 366 G CA 0.298 45.382 45.100 -0.027 0.000 0.794 366 G HN 0.234 nan 8.290 nan 0.000 0.535 367 V N 1.875 121.763 119.914 -0.043 0.000 2.405 367 V HA 0.218 4.344 4.120 0.011 0.000 0.253 367 V C -1.505 174.575 176.094 -0.022 0.000 0.963 367 V CA -1.056 61.193 62.300 -0.086 0.000 1.003 367 V CB 1.529 33.276 31.823 -0.128 0.000 1.251 367 V HN 0.051 nan 8.190 nan 0.000 0.520 368 P HA -0.109 nan 4.420 nan 0.000 0.223 368 P C 0.984 178.290 177.300 0.009 0.000 1.151 368 P CA 0.997 64.101 63.100 0.006 0.000 0.787 368 P CB 0.556 32.259 31.700 0.006 0.000 0.788 369 Q N -0.454 119.361 119.800 0.025 0.000 2.403 369 Q HA 0.275 4.622 4.340 0.011 0.000 0.203 369 Q C 0.734 176.739 176.000 0.009 0.000 0.932 369 Q CA -0.061 55.754 55.803 0.019 0.000 0.945 369 Q CB -0.327 28.432 28.738 0.034 0.000 1.045 369 Q HN 0.177 nan 8.270 nan 0.000 0.511 370 A N 0.664 123.485 122.820 0.002 0.000 2.363 370 A HA 0.495 4.821 4.320 0.011 0.000 0.270 370 A C 0.438 178.019 177.584 -0.006 0.000 1.121 370 A CA -0.474 51.559 52.037 -0.006 0.000 0.800 370 A CB 0.324 19.319 19.000 -0.009 0.000 1.052 370 A HN 0.345 nan 8.150 nan 0.000 0.493 371 S N 1.903 117.598 115.700 -0.009 0.000 2.612 371 S HA 0.062 4.539 4.470 0.011 0.000 0.253 371 S C 0.382 174.986 174.600 0.006 0.000 1.346 371 S CA 0.301 58.499 58.200 -0.004 0.000 0.976 371 S CB 0.244 63.438 63.200 -0.009 0.000 0.949 371 S HN 0.635 nan 8.310 nan 0.000 0.584 372 D N 0.018 120.424 120.400 0.011 0.000 2.117 372 D HA -0.061 4.585 4.640 0.011 0.000 0.197 372 D C 1.792 178.112 176.300 0.034 0.000 0.987 372 D CA 0.818 54.830 54.000 0.020 0.000 0.829 372 D CB -0.523 40.289 40.800 0.020 0.000 0.961 372 D HN 0.381 nan 8.370 nan 0.000 0.460 373 L N 0.918 122.162 121.223 0.035 0.000 2.017 373 L HA -0.065 4.281 4.340 0.011 0.000 0.208 373 L C 2.100 179.016 176.870 0.078 0.000 1.073 373 L CA 1.754 56.627 54.840 0.056 0.000 0.745 373 L CB -0.895 41.191 42.059 0.045 0.000 0.894 373 L HN -0.012 nan 8.230 nan 0.000 0.432 374 A N -0.628 122.220 122.820 0.047 0.000 1.902 374 A HA -0.093 4.233 4.320 0.011 0.000 0.217 374 A C 2.443 180.075 177.584 0.079 0.000 1.181 374 A CA 1.792 53.858 52.037 0.048 0.000 0.623 374 A CB -1.155 17.834 19.000 -0.017 0.000 0.818 374 A HN 0.559 nan 8.150 nan 0.000 0.443 375 A N -0.786 122.065 122.820 0.051 0.000 1.933 375 A HA -0.145 4.181 4.320 0.011 0.000 0.218 375 A C 1.992 179.621 177.584 0.074 0.000 1.175 375 A CA 1.757 53.819 52.037 0.043 0.000 0.628 375 A CB -0.376 18.631 19.000 0.011 0.000 0.814 375 A HN 0.416 nan 8.150 nan 0.000 0.444 376 E N -0.181 120.076 120.200 0.094 0.000 2.152 376 E HA -0.028 4.328 4.350 0.011 0.000 0.192 376 E C 2.315 179.017 176.600 0.171 0.000 0.983 376 E CA 1.000 57.475 56.400 0.125 0.000 0.818 376 E CB -0.435 29.331 29.700 0.110 0.000 0.758 376 E HN 0.539 nan 8.360 nan 0.000 0.467 377 A N 0.732 123.674 122.820 0.203 0.000 1.908 377 A HA -0.159 4.167 4.320 0.011 0.000 0.218 377 A C 2.573 180.298 177.584 0.236 0.000 1.181 377 A CA 1.581 53.788 52.037 0.284 0.000 0.627 377 A CB -0.704 18.577 19.000 0.470 0.000 0.818 377 A HN 0.145 nan 8.150 nan 0.000 0.445 378 V N -0.388 119.680 119.914 0.257 0.000 2.295 378 V HA -0.247 3.879 4.120 0.011 0.000 0.246 378 V C 2.575 178.830 176.094 0.268 0.000 1.049 378 V CA 2.065 64.478 62.300 0.189 0.000 1.024 378 V CB -0.881 31.033 31.823 0.151 0.000 0.648 378 V HN 0.373 nan 8.190 nan 0.000 0.447 379 V N -0.269 119.774 119.914 0.215 0.000 2.343 379 V HA -0.255 3.872 4.120 0.011 0.000 0.247 379 V C 2.276 178.594 176.094 0.373 0.000 1.051 379 V CA 1.989 64.472 62.300 0.305 0.000 1.036 379 V CB -0.534 31.415 31.823 0.210 0.000 0.654 379 V HN 0.447 nan 8.190 nan 0.000 0.451 380 L N -0.826 120.603 121.223 0.344 0.000 2.156 380 L HA -0.157 4.189 4.340 0.011 0.000 0.208 380 L C 2.523 179.604 176.870 0.352 0.000 1.095 380 L CA 1.707 56.826 54.840 0.465 0.000 0.770 380 L CB -0.665 41.587 42.059 0.321 0.000 0.914 380 L HN 0.442 nan 8.230 nan 0.000 0.439 381 H N -1.038 118.040 119.070 0.012 0.000 2.363 381 H HA -0.161 4.400 4.556 0.009 0.000 0.301 381 H C 1.800 177.017 175.328 -0.186 0.000 1.074 381 H CA 1.802 57.702 56.048 -0.245 0.000 1.354 381 H CB 0.091 29.360 29.762 -0.823 0.000 1.397 381 H HN 0.227 nan 8.280 nan 0.000 0.516 382 Y N -0.001 120.351 120.300 0.087 0.000 2.517 382 Y HA 0.116 4.673 4.550 0.012 0.000 0.281 382 Y C 0.827 176.767 175.900 0.067 0.000 1.125 382 Y CA 0.445 58.624 58.100 0.131 0.000 1.283 382 Y CB 0.188 38.849 38.460 0.335 0.000 1.042 382 Y HN 0.036 nan 8.280 nan 0.000 0.547 383 T N 1.627 116.201 114.554 0.033 0.000 2.902 383 T HA -0.078 4.278 4.350 0.011 0.000 0.301 383 T C -0.177 174.181 174.700 -0.570 0.000 1.012 383 T CA -0.157 61.690 62.100 -0.423 0.000 1.151 383 T CB 0.218 68.457 68.868 -1.049 0.000 0.946 383 T HN 0.068 nan 8.240 nan 0.000 0.542 384 D N 2.036 122.037 120.400 -0.665 0.000 2.365 384 D HA 0.076 4.723 4.640 0.011 0.000 0.237 384 D C 0.003 175.974 176.300 -0.549 0.000 1.190 384 D CA -0.604 53.012 54.000 -0.640 0.000 0.867 384 D CB 0.382 40.610 40.800 -0.954 0.000 1.050 384 D HN 0.619 nan 8.370 nan 0.000 0.491 385 W N 3.268 124.462 121.300 -0.178 0.000 2.937 385 W HA 0.097 4.763 4.660 0.009 0.000 0.245 385 W C 1.987 178.394 176.519 -0.186 0.000 1.306 385 W CA -0.309 56.950 57.345 -0.143 0.000 1.470 385 W CB 0.112 29.507 29.460 -0.107 0.000 1.132 385 W HN 0.422 nan 8.180 nan 0.000 0.675 386 L N -1.114 120.025 121.223 -0.140 0.000 2.179 386 L HA -0.068 4.278 4.340 0.011 0.000 0.208 386 L C 0.259 176.768 176.870 -0.602 0.000 1.096 386 L CA 1.151 55.760 54.840 -0.385 0.000 0.779 386 L CB -0.177 41.554 42.059 -0.546 0.000 0.922 386 L HN 0.040 nan 8.230 nan 0.000 0.443 387 H N -1.745 117.230 119.070 -0.159 0.000 2.616 387 H HA 0.144 4.706 4.556 0.010 0.000 0.229 387 H C -1.805 173.379 175.328 -0.239 0.000 1.418 387 H CA -1.178 54.770 56.048 -0.167 0.000 1.248 387 H CB 0.316 29.976 29.762 -0.170 0.000 1.822 387 H HN -0.018 nan 8.280 nan 0.000 0.522 388 P HA -0.155 nan 4.420 nan 0.000 0.225 388 P C 0.477 177.670 177.300 -0.178 0.000 1.148 388 P CA 1.230 64.155 63.100 -0.292 0.000 0.779 388 P CB 0.589 32.151 31.700 -0.230 0.000 0.780 389 E N -0.733 119.419 120.200 -0.079 0.000 2.630 389 E HA 0.064 4.420 4.350 0.011 0.000 0.218 389 E C -0.260 176.314 176.600 -0.044 0.000 0.977 389 E CA -0.243 56.126 56.400 -0.051 0.000 1.038 389 E CB 0.155 29.845 29.700 -0.017 0.000 1.051 389 E HN 0.195 nan 8.360 nan 0.000 0.487 390 D N 2.208 122.586 120.400 -0.037 0.000 2.401 390 D HA 0.014 4.660 4.640 0.011 0.000 0.254 390 D C -1.615 174.651 176.300 -0.057 0.000 1.192 390 D CA -1.766 52.208 54.000 -0.043 0.000 0.885 390 D CB 1.325 42.092 40.800 -0.055 0.000 1.147 390 D HN -0.167 nan 8.370 nan 0.000 0.478 391 P HA -0.121 nan 4.420 nan 0.000 0.216 391 P C 1.085 178.313 177.300 -0.120 0.000 1.150 391 P CA 1.054 64.090 63.100 -0.107 0.000 0.837 391 P CB 0.210 31.843 31.700 -0.113 0.000 0.786 392 T N -1.851 112.649 114.554 -0.089 0.000 2.737 392 T HA -0.182 4.174 4.350 0.011 0.000 0.265 392 T C 1.743 176.410 174.700 -0.054 0.000 1.038 392 T CA 1.612 63.668 62.100 -0.074 0.000 1.144 392 T CB -1.052 67.788 68.868 -0.046 0.000 0.866 392 T HN 0.276 nan 8.240 nan 0.000 0.434 393 H N 0.940 119.945 119.070 -0.107 0.000 2.387 393 H HA 0.083 4.645 4.556 0.010 0.000 0.299 393 H C 2.000 177.230 175.328 -0.164 0.000 1.090 393 H CA 1.217 57.200 56.048 -0.108 0.000 1.332 393 H CB -0.469 29.219 29.762 -0.123 0.000 1.386 393 H HN 0.231 nan 8.280 nan 0.000 0.516 394 L N 0.066 121.150 121.223 -0.231 0.000 2.046 394 L HA -0.169 4.177 4.340 0.011 0.000 0.208 394 L C 2.905 179.656 176.870 -0.199 0.000 1.077 394 L CA 1.479 56.078 54.840 -0.402 0.000 0.747 394 L CB -0.489 41.397 42.059 -0.288 0.000 0.896 394 L HN 0.306 nan 8.230 nan 0.000 0.432 395 R N 0.503 120.943 120.500 -0.100 0.000 2.083 395 R HA -0.196 4.151 4.340 0.011 0.000 0.237 395 R C 1.668 178.044 176.300 0.127 0.000 1.137 395 R CA 2.194 58.321 56.100 0.046 0.000 0.951 395 R CB -0.402 29.800 30.300 -0.163 0.000 0.851 395 R HN 0.354 nan 8.270 nan 0.000 0.434 396 D N 0.289 120.687 120.400 -0.004 0.000 2.144 396 D HA -0.062 4.585 4.640 0.011 0.000 0.200 396 D C 1.748 178.047 176.300 -0.001 0.000 0.978 396 D CA 1.372 55.394 54.000 0.037 0.000 0.833 396 D CB -0.236 40.564 40.800 -0.001 0.000 0.961 396 D HN 0.365 nan 8.370 nan 0.000 0.470 397 A N 0.656 123.357 122.820 -0.198 0.000 1.933 397 A HA -0.164 4.162 4.320 0.011 0.000 0.218 397 A C 2.128 179.823 177.584 0.184 0.000 1.175 397 A CA 1.425 53.431 52.037 -0.052 0.000 0.628 397 A CB -0.450 18.354 19.000 -0.327 0.000 0.814 397 A HN 0.132 nan 8.150 nan 0.000 0.444 398 M N -0.203 119.568 119.600 0.285 0.000 2.117 398 M HA -0.082 4.404 4.480 0.011 0.000 0.262 398 M C 2.309 178.665 176.300 0.093 0.000 1.065 398 M CA 2.032 57.503 55.300 0.284 0.000 1.114 398 M CB -0.591 32.235 32.600 0.376 0.000 1.361 398 M HN 0.397 nan 8.290 nan 0.000 0.408 399 S N -0.399 115.383 115.700 0.136 0.000 2.356 399 S HA -0.094 4.382 4.470 0.011 0.000 0.223 399 S C 2.032 176.711 174.600 0.132 0.000 1.032 399 S CA 1.524 59.816 58.200 0.153 0.000 1.005 399 S CB -0.548 62.803 63.200 0.252 0.000 0.867 399 S HN 0.614 nan 8.310 nan 0.000 0.449 400 A N 0.908 123.816 122.820 0.148 0.000 1.877 400 A HA 0.001 4.327 4.320 0.011 0.000 0.216 400 A C 2.353 179.987 177.584 0.084 0.000 1.186 400 A CA 1.760 53.919 52.037 0.203 0.000 0.620 400 A CB -1.193 18.034 19.000 0.378 0.000 0.822 400 A HN 0.442 nan 8.150 nan 0.000 0.443 401 V N -0.314 119.475 119.914 -0.208 0.000 2.250 401 V HA -0.291 3.836 4.120 0.011 0.000 0.250 401 V C 2.583 178.603 176.094 -0.124 0.000 1.060 401 V CA 2.325 64.425 62.300 -0.333 0.000 1.030 401 V CB -0.830 30.791 31.823 -0.335 0.000 0.643 401 V HN 0.389 nan 8.190 nan 0.000 0.445 402 V N 0.441 120.308 119.914 -0.077 0.000 2.379 402 V HA -0.107 4.020 4.120 0.011 0.000 0.245 402 V C 2.596 178.605 176.094 -0.142 0.000 1.044 402 V CA 2.030 64.281 62.300 -0.082 0.000 1.036 402 V CB -1.273 30.550 31.823 0.001 0.000 0.664 402 V HN 0.615 nan 8.190 nan 0.000 0.453 403 G N -0.314 108.468 108.800 -0.030 0.000 2.418 403 G HA2 -0.225 3.741 3.960 0.011 0.000 0.217 403 G HA3 -0.225 3.741 3.960 0.011 0.000 0.217 403 G C 1.222 176.059 174.900 -0.105 0.000 1.158 403 G CA 1.011 46.102 45.100 -0.014 0.000 0.771 403 G HN 0.497 nan 8.290 nan 0.000 0.545 404 D N -0.305 120.038 120.400 -0.094 0.000 2.103 404 D HA -0.062 4.585 4.640 0.011 0.000 0.199 404 D C 2.098 178.059 176.300 -0.564 0.000 0.978 404 D CA 1.153 55.055 54.000 -0.163 0.000 0.829 404 D CB -0.517 40.357 40.800 0.124 0.000 0.981 404 D HN 0.362 nan 8.370 nan 0.000 0.464 405 H N 1.146 119.596 119.070 -1.033 0.000 2.319 405 H HA -0.028 4.534 4.556 0.010 0.000 0.299 405 H C 1.473 176.382 175.328 -0.699 0.000 1.092 405 H CA 1.863 57.122 56.048 -1.314 0.000 1.302 405 H CB -0.005 29.017 29.762 -1.232 0.000 1.373 405 H HN 0.008 nan 8.280 nan 0.000 0.497 406 N N -0.916 117.336 118.700 -0.747 0.000 2.405 406 N HA 0.007 4.754 4.740 0.011 0.000 0.175 406 N C 1.219 176.479 175.510 -0.417 0.000 1.051 406 N CA 1.048 53.596 53.050 -0.837 0.000 0.899 406 N CB 1.124 38.527 38.487 -1.807 0.000 1.000 406 N HN 0.283 nan 8.380 nan 0.000 0.451 407 V N -0.642 119.098 119.914 -0.290 0.000 3.442 407 V HA 0.066 4.192 4.120 0.011 0.000 0.205 407 V C 2.114 178.172 176.094 -0.060 0.000 1.320 407 V CA 0.156 62.423 62.300 -0.055 0.000 1.306 407 V CB -0.072 31.793 31.823 0.071 0.000 1.267 407 V HN -0.186 nan 8.190 nan 0.000 0.538 408 V N -0.003 119.874 119.914 -0.061 0.000 2.407 408 V HA -0.265 3.861 4.120 0.011 0.000 0.248 408 V C 2.429 178.489 176.094 -0.058 0.000 1.055 408 V CA 2.520 64.799 62.300 -0.035 0.000 1.049 408 V CB -0.640 31.193 31.823 0.017 0.000 0.662 408 V HN 0.672 nan 8.190 nan 0.000 0.455 409 c N -0.737 117.808 118.600 -0.091 0.000 2.492 409 c HA 0.067 4.644 4.570 0.011 0.000 0.279 409 c C 0.493 174.543 174.090 -0.067 0.000 1.335 409 c CA 0.613 56.916 56.329 -0.044 0.000 1.734 409 c CB -1.560 40.949 42.510 -0.001 0.000 2.027 409 c HN 0.455 nan 8.230 nan 0.000 0.496 410 P HA -0.086 nan 4.420 nan 0.000 0.216 410 P C 1.702 178.935 177.300 -0.111 0.000 1.150 410 P CA 1.422 64.442 63.100 -0.132 0.000 0.837 410 P CB -0.159 31.427 31.700 -0.190 0.000 0.786 411 V N -0.006 119.846 119.914 -0.102 0.000 2.358 411 V HA -0.241 3.885 4.120 0.011 0.000 0.246 411 V C 2.457 178.456 176.094 -0.157 0.000 1.047 411 V CA 2.184 64.411 62.300 -0.122 0.000 1.035 411 V CB -1.679 30.073 31.823 -0.117 0.000 0.658 411 V HN 0.104 nan 8.190 nan 0.000 0.452 412 A N -0.479 122.265 122.820 -0.126 0.000 1.877 412 A HA -0.311 4.016 4.320 0.011 0.000 0.216 412 A C 2.184 179.732 177.584 -0.059 0.000 1.186 412 A CA 2.214 54.185 52.037 -0.109 0.000 0.620 412 A CB -0.564 18.421 19.000 -0.025 0.000 0.822 412 A HN 0.551 nan 8.150 nan 0.000 0.443 413 Q N -0.665 119.114 119.800 -0.035 0.000 2.030 413 Q HA -0.189 4.158 4.340 0.011 0.000 0.204 413 Q C 1.903 177.876 176.000 -0.045 0.000 0.986 413 Q CA 1.974 57.766 55.803 -0.018 0.000 0.843 413 Q CB -0.497 28.227 28.738 -0.024 0.000 0.904 413 Q HN 0.514 nan 8.270 nan 0.000 0.420 414 L N 0.247 121.416 121.223 -0.090 0.000 1.971 414 L HA -0.155 4.191 4.340 0.011 0.000 0.215 414 L C 2.193 178.986 176.870 -0.128 0.000 1.072 414 L CA 2.557 57.326 54.840 -0.117 0.000 0.758 414 L CB -1.306 40.670 42.059 -0.138 0.000 0.889 414 L HN 0.306 nan 8.230 nan 0.000 0.433 415 A N -0.705 122.004 122.820 -0.184 0.000 1.917 415 A HA -0.150 4.177 4.320 0.011 0.000 0.219 415 A C 2.325 179.895 177.584 -0.023 0.000 1.182 415 A CA 1.870 53.755 52.037 -0.254 0.000 0.633 415 A CB -1.637 16.948 19.000 -0.692 0.000 0.819 415 A HN 0.589 nan 8.150 nan 0.000 0.448 416 G N -0.884 107.959 108.800 0.072 0.000 2.404 416 G HA2 -0.170 3.796 3.960 0.011 0.000 0.215 416 G HA3 -0.170 3.796 3.960 0.011 0.000 0.215 416 G C 1.672 176.643 174.900 0.118 0.000 1.174 416 G CA 0.731 45.951 45.100 0.200 0.000 0.780 416 G HN 0.398 nan 8.290 nan 0.000 0.537 417 R N -0.137 120.401 120.500 0.063 0.000 2.066 417 R HA 0.078 4.425 4.340 0.011 0.000 0.232 417 R C 2.510 178.864 176.300 0.090 0.000 1.131 417 R CA 0.379 56.524 56.100 0.074 0.000 0.955 417 R CB -1.324 29.011 30.300 0.058 0.000 0.851 417 R HN 0.290 nan 8.270 nan 0.000 0.432 418 L N 0.801 122.020 121.223 -0.007 0.000 2.012 418 L HA -0.112 4.235 4.340 0.011 0.000 0.210 418 L C 2.423 179.338 176.870 0.076 0.000 1.073 418 L CA 2.103 56.911 54.840 -0.053 0.000 0.748 418 L CB -1.406 40.547 42.059 -0.178 0.000 0.891 418 L HN 0.179 nan 8.230 nan 0.000 0.431 419 A N -0.986 121.889 122.820 0.091 0.000 1.902 419 A HA -0.103 4.223 4.320 0.011 0.000 0.217 419 A C 2.404 180.047 177.584 0.097 0.000 1.181 419 A CA 1.681 53.784 52.037 0.111 0.000 0.623 419 A CB -0.838 18.272 19.000 0.183 0.000 0.818 419 A HN 0.399 nan 8.150 nan 0.000 0.443 420 A N -1.322 121.560 122.820 0.104 0.000 2.067 420 A HA -0.056 4.271 4.320 0.011 0.000 0.219 420 A C 1.684 179.324 177.584 0.093 0.000 1.158 420 A CA 1.424 53.512 52.037 0.085 0.000 0.661 420 A CB -0.234 18.814 19.000 0.081 0.000 0.801 420 A HN 0.596 nan 8.150 nan 0.000 0.452 421 Q N -1.773 118.112 119.800 0.141 0.000 2.182 421 Q HA 0.411 4.758 4.340 0.011 0.000 0.270 421 Q C 0.746 176.847 176.000 0.168 0.000 0.861 421 Q CA 0.393 56.290 55.803 0.157 0.000 1.098 421 Q CB 0.642 29.522 28.738 0.236 0.000 1.188 421 Q HN 0.723 nan 8.270 nan 0.000 0.464 422 G N -0.365 108.509 108.800 0.124 0.000 2.213 422 G HA2 -0.260 3.706 3.960 0.011 0.000 0.226 422 G HA3 -0.260 3.706 3.960 0.011 0.000 0.226 422 G C 0.325 175.289 174.900 0.107 0.000 0.992 422 G CA -0.211 44.948 45.100 0.098 0.000 0.632 422 G HN 0.550 nan 8.290 nan 0.000 0.511 423 A N -0.051 122.851 122.820 0.137 0.000 2.351 423 A HA 0.762 5.089 4.320 0.011 0.000 0.257 423 A C 0.551 178.167 177.584 0.054 0.000 1.087 423 A CA 0.290 52.391 52.037 0.107 0.000 0.798 423 A CB 0.388 19.439 19.000 0.085 0.000 1.033 423 A HN 0.604 nan 8.150 nan 0.000 0.488 424 R N 1.132 121.660 120.500 0.046 0.000 2.202 424 R HA 0.494 4.841 4.340 0.011 0.000 0.334 424 R C -1.314 174.964 176.300 -0.036 0.000 1.036 424 R CA -0.015 56.074 56.100 -0.018 0.000 0.878 424 R CB 0.546 30.864 30.300 0.029 0.000 1.067 424 R HN 0.484 nan 8.270 nan 0.000 0.457 425 V N 5.456 125.282 119.914 -0.148 0.000 2.555 425 V HA 0.409 4.535 4.120 0.011 0.000 0.302 425 V C -0.991 174.924 176.094 -0.299 0.000 1.038 425 V CA -0.804 61.430 62.300 -0.110 0.000 0.887 425 V CB 1.532 33.351 31.823 -0.006 0.000 0.991 425 V HN 0.634 nan 8.190 nan 0.000 0.434 426 Y N 2.201 122.452 120.300 -0.083 0.000 2.376 426 Y HA 0.773 5.328 4.550 0.009 0.000 0.340 426 Y C 0.301 176.257 175.900 0.093 0.000 0.965 426 Y CA -0.522 57.510 58.100 -0.112 0.000 1.078 426 Y CB 2.195 40.223 38.460 -0.719 0.000 1.193 426 Y HN 0.764 nan 8.280 nan 0.000 0.452 427 A N 3.433 126.604 122.820 0.584 0.000 2.374 427 A HA 0.859 5.185 4.320 0.011 0.000 0.317 427 A C -1.784 176.191 177.584 0.651 0.000 1.094 427 A CA -0.694 51.582 52.037 0.398 0.000 0.765 427 A CB 0.895 19.947 19.000 0.087 0.000 1.268 427 A HN 0.744 nan 8.150 nan 0.000 0.438 428 Y N -0.320 120.233 120.300 0.421 0.000 2.581 428 Y HA 0.799 5.354 4.550 0.008 0.000 0.345 428 Y C -1.059 175.035 175.900 0.323 0.000 1.036 428 Y CA -1.604 56.692 58.100 0.327 0.000 1.042 428 Y CB 1.387 40.028 38.460 0.302 0.000 1.289 428 Y HN 0.656 nan 8.280 nan 0.000 0.471 429 I N 3.480 124.368 120.570 0.531 0.000 2.436 429 I HA 0.432 4.609 4.170 0.011 0.000 0.289 429 I C -1.745 174.713 176.117 0.567 0.000 1.010 429 I CA -1.057 60.525 61.300 0.469 0.000 1.098 429 I CB 1.093 39.321 38.000 0.379 0.000 1.266 429 I HN 0.761 nan 8.210 nan 0.000 0.434 430 F N 7.463 127.707 119.950 0.489 0.000 2.405 430 F HA 0.395 4.929 4.527 0.011 0.000 0.355 430 F C 0.329 176.286 175.800 0.262 0.000 1.121 430 F CA 0.008 58.231 58.000 0.371 0.000 1.112 430 F CB 0.846 40.078 39.000 0.386 0.000 1.126 430 F HN 0.522 nan 8.300 nan 0.000 0.481 431 E N 3.517 123.558 120.200 -0.266 0.000 2.758 431 E HA -0.002 4.355 4.350 0.011 0.000 0.215 431 E C -0.963 175.458 176.600 -0.299 0.000 0.985 431 E CA -0.230 56.081 56.400 -0.149 0.000 1.102 431 E CB 0.255 29.924 29.700 -0.052 0.000 1.042 431 E HN 0.545 nan 8.360 nan 0.000 0.480 432 H N 1.535 120.136 119.070 -0.783 0.000 2.552 432 H HA 0.263 4.825 4.556 0.010 0.000 0.311 432 H C -0.452 174.787 175.328 -0.149 0.000 1.071 432 H CA -0.516 55.198 56.048 -0.557 0.000 1.307 432 H CB 0.610 29.855 29.762 -0.861 0.000 1.416 432 H HN -0.125 nan 8.280 nan 0.000 0.464 433 R N 4.107 124.210 120.500 -0.661 0.000 2.234 433 R HA 0.465 4.812 4.340 0.011 0.000 0.324 433 R C -0.526 175.499 176.300 -0.459 0.000 1.054 433 R CA -0.557 55.337 56.100 -0.344 0.000 0.912 433 R CB 0.303 30.497 30.300 -0.177 0.000 1.030 433 R HN 0.820 nan 8.270 nan 0.000 0.455 434 A N 3.071 125.935 122.820 0.073 0.000 2.540 434 A HA 0.002 4.328 4.320 0.011 0.000 0.239 434 A C 1.345 179.019 177.584 0.149 0.000 1.061 434 A CA 0.485 52.755 52.037 0.387 0.000 0.758 434 A CB 0.323 19.658 19.000 0.559 0.000 0.991 434 A HN 1.019 nan 8.150 nan 0.000 0.502 435 S N 1.481 117.303 115.700 0.202 0.000 2.442 435 S HA -0.167 4.310 4.470 0.011 0.000 0.236 435 S C 1.348 175.927 174.600 -0.035 0.000 1.007 435 S CA 1.670 59.913 58.200 0.072 0.000 0.965 435 S CB -0.795 62.467 63.200 0.104 0.000 0.773 435 S HN 1.274 nan 8.310 nan 0.000 0.504 436 T N -1.012 113.475 114.554 -0.111 0.000 3.107 436 T HA 0.372 4.728 4.350 0.011 0.000 0.249 436 T C 0.313 174.935 174.700 -0.130 0.000 1.096 436 T CA -0.569 61.406 62.100 -0.208 0.000 1.012 436 T CB -0.433 68.155 68.868 -0.468 0.000 0.977 436 T HN 0.224 nan 8.240 nan 0.000 0.527 437 L N 3.918 125.109 121.223 -0.054 0.000 2.453 437 L HA 0.301 4.647 4.340 0.011 0.000 0.272 437 L C 1.520 178.343 176.870 -0.079 0.000 1.182 437 L CA 0.755 55.562 54.840 -0.055 0.000 0.858 437 L CB 0.941 42.976 42.059 -0.039 0.000 1.120 437 L HN 0.430 nan 8.230 nan 0.000 0.474 438 T N -0.631 113.842 114.554 -0.135 0.000 3.014 438 T HA 0.101 4.457 4.350 0.011 0.000 0.250 438 T C 0.438 175.145 174.700 0.012 0.000 1.060 438 T CA -0.429 61.588 62.100 -0.137 0.000 1.040 438 T CB -0.334 68.297 68.868 -0.394 0.000 0.971 438 T HN 0.402 nan 8.240 nan 0.000 0.497 439 W N 3.696 125.022 121.300 0.043 0.000 2.148 439 W HA 0.360 5.027 4.660 0.011 0.000 0.347 439 W C -1.939 174.502 176.519 -0.129 0.000 1.288 439 W CA -1.946 55.404 57.345 0.008 0.000 1.252 439 W CB 0.100 29.482 29.460 -0.130 0.000 1.156 439 W HN 0.022 nan 8.180 nan 0.000 0.580 440 P HA 0.006 nan 4.420 nan 0.000 0.272 440 P C 0.486 177.710 177.300 -0.126 0.000 1.240 440 P CA -0.004 63.059 63.100 -0.061 0.000 0.791 440 P CB 0.864 32.516 31.700 -0.080 0.000 0.978 441 L N 0.238 121.453 121.223 -0.013 0.000 2.131 441 L HA -0.106 4.241 4.340 0.011 0.000 0.210 441 L C 2.518 179.423 176.870 0.060 0.000 1.092 441 L CA 1.179 56.033 54.840 0.022 0.000 0.759 441 L CB -0.745 41.355 42.059 0.068 0.000 0.903 441 L HN 0.601 nan 8.230 nan 0.000 0.435 442 W N -0.756 120.587 121.300 0.072 0.000 2.421 442 W HA -0.176 4.490 4.660 0.010 0.000 0.270 442 W C 1.670 178.247 176.519 0.097 0.000 1.233 442 W CA 0.494 57.885 57.345 0.078 0.000 1.226 442 W CB -0.819 28.687 29.460 0.077 0.000 1.121 442 W HN 0.175 nan 8.180 nan 0.000 0.579 443 M N 1.377 120.679 119.600 -0.496 0.000 2.619 443 M HA 0.114 4.601 4.480 0.011 0.000 0.251 443 M C 1.840 178.075 176.300 -0.108 0.000 1.106 443 M CA 1.467 56.479 55.300 -0.481 0.000 1.086 443 M CB -0.664 31.500 32.600 -0.727 0.000 1.465 443 M HN 0.212 nan 8.290 nan 0.000 0.506 444 G N 0.660 109.443 108.800 -0.028 0.000 2.596 444 G HA2 -0.297 3.670 3.960 0.011 0.000 0.304 444 G HA3 -0.297 3.670 3.960 0.011 0.000 0.304 444 G C -0.077 174.841 174.900 0.030 0.000 1.189 444 G CA -0.047 45.074 45.100 0.035 0.000 0.986 444 G HN 0.245 nan 8.290 nan 0.000 0.548 445 V N 3.763 123.732 119.914 0.093 0.000 2.259 445 V HA 0.478 4.605 4.120 0.011 0.000 0.267 445 V C -1.854 174.367 176.094 0.212 0.000 1.051 445 V CA -0.773 61.627 62.300 0.166 0.000 0.830 445 V CB 1.121 33.080 31.823 0.226 0.000 1.080 445 V HN 0.531 nan 8.190 nan 0.000 0.467 446 P HA 0.225 nan 4.420 nan 0.000 0.278 446 P C -0.253 177.236 177.300 0.315 0.000 1.258 446 P CA -0.607 62.594 63.100 0.167 0.000 0.811 446 P CB 0.431 32.095 31.700 -0.059 0.000 1.063 447 H N 0.417 119.562 119.070 0.126 0.000 3.167 447 H HA 0.225 4.787 4.556 0.010 0.000 0.306 447 H C 1.566 176.814 175.328 -0.133 0.000 0.965 447 H CA 2.492 58.561 56.048 0.035 0.000 1.408 447 H CB -0.613 29.171 29.762 0.037 0.000 1.406 447 H HN 0.760 nan 8.280 nan 0.000 0.576 448 G N 3.320 111.836 108.800 -0.473 0.000 2.232 448 G HA2 -0.305 3.662 3.960 0.011 0.000 0.226 448 G HA3 -0.305 3.662 3.960 0.011 0.000 0.226 448 G C 0.521 175.185 174.900 -0.393 0.000 0.996 448 G CA 0.342 45.117 45.100 -0.541 0.000 0.626 448 G HN 0.635 nan 8.290 nan 0.000 0.509 449 Y N 1.603 121.962 120.300 0.099 0.000 2.493 449 Y HA 0.277 4.833 4.550 0.010 0.000 0.275 449 Y C 2.250 178.259 175.900 0.182 0.000 1.183 449 Y CA 0.735 58.964 58.100 0.215 0.000 1.258 449 Y CB 0.441 39.069 38.460 0.278 0.000 1.108 449 Y HN 0.483 nan 8.280 nan 0.000 0.521 450 E N 0.385 120.505 120.200 -0.134 0.000 2.250 450 E HA -0.069 4.287 4.350 0.011 0.000 0.192 450 E C 1.602 178.071 176.600 -0.218 0.000 0.986 450 E CA 0.778 56.762 56.400 -0.693 0.000 0.849 450 E CB -0.337 28.643 29.700 -1.198 0.000 0.797 450 E HN 0.540 nan 8.360 nan 0.000 0.482 451 I N 2.827 123.348 120.570 -0.082 0.000 2.163 451 I HA -0.295 3.882 4.170 0.011 0.000 0.243 451 I C 2.757 178.852 176.117 -0.037 0.000 1.085 451 I CA 2.039 63.336 61.300 -0.005 0.000 1.347 451 I CB -0.526 37.526 38.000 0.088 0.000 1.044 451 I HN 0.219 nan 8.210 nan 0.000 0.408 452 E N 1.257 121.377 120.200 -0.132 0.000 2.160 452 E HA -0.246 4.111 4.350 0.011 0.000 0.195 452 E C 2.052 178.382 176.600 -0.451 0.000 0.991 452 E CA 1.554 57.774 56.400 -0.300 0.000 0.810 452 E CB -0.560 28.944 29.700 -0.327 0.000 0.742 452 E HN 0.450 nan 8.360 nan 0.000 0.466 453 F N 1.303 121.130 119.950 -0.204 0.000 2.128 453 F HA -0.057 4.478 4.527 0.013 0.000 0.295 453 F C 2.372 177.925 175.800 -0.413 0.000 1.100 453 F CA 0.537 58.351 58.000 -0.309 0.000 1.260 453 F CB -0.194 38.678 39.000 -0.214 0.000 1.009 453 F HN -0.029 nan 8.300 nan 0.000 0.476 454 I N -0.655 119.742 120.570 -0.288 0.000 2.208 454 I HA -0.290 3.887 4.170 0.011 0.000 0.245 454 I C 2.127 177.989 176.117 -0.424 0.000 1.097 454 I CA 1.643 62.611 61.300 -0.554 0.000 1.363 454 I CB -1.561 35.999 38.000 -0.733 0.000 1.051 454 I HN 0.083 nan 8.210 nan 0.000 0.413 455 F N 0.860 120.613 119.950 -0.328 0.000 2.710 455 F HA 0.208 4.742 4.527 0.011 0.000 0.298 455 F C 1.915 177.554 175.800 -0.267 0.000 1.137 455 F CA 0.865 58.715 58.000 -0.251 0.000 1.444 455 F CB -0.281 38.559 39.000 -0.266 0.000 1.111 455 F HN 0.300 nan 8.300 nan 0.000 0.580 456 G N 0.031 108.655 108.800 -0.293 0.000 2.137 456 G HA2 -0.304 3.662 3.960 0.011 0.000 0.237 456 G HA3 -0.304 3.662 3.960 0.011 0.000 0.237 456 G C 0.998 175.268 174.900 -1.050 0.000 1.002 456 G CA 0.329 45.125 45.100 -0.507 0.000 0.702 456 G HN 0.296 nan 8.290 nan 0.000 0.515 457 L N 0.497 121.146 121.223 -0.957 0.000 2.051 457 L HA -0.028 4.319 4.340 0.011 0.000 0.214 457 L C 0.559 176.871 176.870 -0.931 0.000 1.076 457 L CA 2.937 57.169 54.840 -1.012 0.000 0.758 457 L CB -1.046 40.681 42.059 -0.554 0.000 0.890 457 L HN 0.237 nan 8.230 nan 0.000 0.433 458 P HA -0.171 nan 4.420 nan 0.000 0.220 458 P C 1.644 178.673 177.300 -0.451 0.000 1.144 458 P CA 0.921 63.406 63.100 -1.025 0.000 0.800 458 P CB 0.014 31.109 31.700 -1.008 0.000 0.772 459 L N -1.153 119.770 121.223 -0.500 0.000 2.353 459 L HA -0.072 4.274 4.340 0.011 0.000 0.220 459 L C 0.951 177.745 176.870 -0.126 0.000 1.133 459 L CA 1.267 55.946 54.840 -0.268 0.000 0.798 459 L CB -1.275 40.651 42.059 -0.222 0.000 0.922 459 L HN -0.024 nan 8.230 nan 0.000 0.445 460 D N 0.355 120.655 120.400 -0.166 0.000 2.365 460 D HA 0.088 4.734 4.640 0.011 0.000 0.237 460 D C -1.547 174.770 176.300 0.030 0.000 1.190 460 D CA -2.140 51.879 54.000 0.032 0.000 0.867 460 D CB 1.407 42.272 40.800 0.108 0.000 1.050 460 D HN 0.013 nan 8.370 nan 0.000 0.491 461 P HA -0.115 nan 4.420 nan 0.000 0.223 461 P C 1.165 178.484 177.300 0.031 0.000 1.151 461 P CA 0.566 63.687 63.100 0.035 0.000 0.787 461 P CB 0.072 31.788 31.700 0.027 0.000 0.788 462 S N -0.333 115.383 115.700 0.027 0.000 2.469 462 S HA -0.059 4.417 4.470 0.011 0.000 0.238 462 S C 1.845 176.444 174.600 -0.001 0.000 0.998 462 S CA 0.642 58.848 58.200 0.010 0.000 0.957 462 S CB -1.449 61.756 63.200 0.008 0.000 0.764 462 S HN 0.127 nan 8.310 nan 0.000 0.514 463 L N 0.522 121.759 121.223 0.024 0.000 2.509 463 L HA 0.175 4.522 4.340 0.011 0.000 0.222 463 L C 0.304 177.131 176.870 -0.072 0.000 1.123 463 L CA 0.075 54.917 54.840 0.004 0.000 0.856 463 L CB -0.711 41.417 42.059 0.115 0.000 0.985 463 L HN 0.245 nan 8.230 nan 0.000 0.456 464 N N -1.865 116.828 118.700 -0.012 0.000 2.829 464 N HA -0.213 4.534 4.740 0.011 0.000 0.250 464 N C -0.384 175.075 175.510 -0.085 0.000 1.090 464 N CA 0.721 53.738 53.050 -0.055 0.000 0.781 464 N CB -1.895 36.530 38.487 -0.103 0.000 1.124 464 N HN 0.287 nan 8.380 nan 0.000 0.559 465 Y N 1.125 121.410 120.300 -0.025 0.000 2.426 465 Y HA 0.129 4.686 4.550 0.010 0.000 0.344 465 Y C 2.023 177.944 175.900 0.034 0.000 1.256 465 Y CA 0.455 58.565 58.100 0.018 0.000 1.451 465 Y CB 0.391 38.850 38.460 -0.001 0.000 1.342 465 Y HN 0.102 nan 8.280 nan 0.000 0.600 466 T N -2.612 112.083 114.554 0.236 0.000 2.813 466 T HA 0.032 4.389 4.350 0.011 0.000 0.297 466 T C 1.151 175.930 174.700 0.132 0.000 1.036 466 T CA -0.320 61.868 62.100 0.146 0.000 1.044 466 T CB 0.903 69.849 68.868 0.129 0.000 0.993 466 T HN 0.733 nan 8.240 nan 0.000 0.535 467 T N 1.513 116.115 114.554 0.080 0.000 2.759 467 T HA -0.106 4.250 4.350 0.011 0.000 0.269 467 T C 1.773 176.506 174.700 0.055 0.000 1.042 467 T CA 1.967 64.101 62.100 0.056 0.000 1.140 467 T CB -0.428 68.461 68.868 0.035 0.000 0.864 467 T HN 0.783 nan 8.240 nan 0.000 0.455 468 E N 1.195 121.426 120.200 0.052 0.000 2.077 468 E HA -0.093 4.264 4.350 0.011 0.000 0.193 468 E C 2.230 178.866 176.600 0.060 0.000 0.989 468 E CA 1.003 57.419 56.400 0.026 0.000 0.800 468 E CB -0.195 29.496 29.700 -0.015 0.000 0.746 468 E HN 0.574 nan 8.360 nan 0.000 0.452 469 E N 0.393 120.670 120.200 0.128 0.000 2.110 469 E HA -0.146 4.211 4.350 0.011 0.000 0.193 469 E C 2.125 178.853 176.600 0.214 0.000 0.988 469 E CA 0.452 57.019 56.400 0.279 0.000 0.804 469 E CB -0.031 29.971 29.700 0.503 0.000 0.745 469 E HN 0.081 nan 8.360 nan 0.000 0.458 470 R N 0.808 121.364 120.500 0.093 0.000 2.083 470 R HA -0.165 4.181 4.340 0.011 0.000 0.237 470 R C 2.261 178.564 176.300 0.005 0.000 1.137 470 R CA 1.302 57.400 56.100 -0.003 0.000 0.951 470 R CB -0.323 29.974 30.300 -0.004 0.000 0.851 470 R HN 0.199 nan 8.270 nan 0.000 0.434 471 I N 0.029 120.623 120.570 0.041 0.000 2.315 471 I HA -0.275 3.901 4.170 0.011 0.000 0.248 471 I C 2.226 178.382 176.117 0.066 0.000 1.117 471 I CA 0.900 62.220 61.300 0.033 0.000 1.404 471 I CB -0.323 37.696 38.000 0.032 0.000 1.071 471 I HN 0.130 nan 8.210 nan 0.000 0.419 472 F N 1.871 121.779 119.950 -0.070 0.000 2.146 472 F HA -0.170 4.363 4.527 0.009 0.000 0.298 472 F C 2.431 178.211 175.800 -0.034 0.000 1.096 472 F CA 1.181 59.128 58.000 -0.089 0.000 1.275 472 F CB -0.637 38.250 39.000 -0.189 0.000 1.008 472 F HN 0.009 nan 8.300 nan 0.000 0.480 473 A N 0.201 122.944 122.820 -0.128 0.000 1.883 473 A HA -0.255 4.072 4.320 0.011 0.000 0.217 473 A C 2.177 179.617 177.584 -0.239 0.000 1.186 473 A CA 1.921 53.823 52.037 -0.225 0.000 0.624 473 A CB -0.984 17.902 19.000 -0.190 0.000 0.822 473 A HN 0.598 nan 8.150 nan 0.000 0.444 474 Q N -0.858 118.845 119.800 -0.161 0.000 2.096 474 Q HA -0.209 4.138 4.340 0.011 0.000 0.204 474 Q C 2.406 178.297 176.000 -0.182 0.000 0.982 474 Q CA 1.659 57.378 55.803 -0.141 0.000 0.850 474 Q CB -0.213 28.472 28.738 -0.088 0.000 0.901 474 Q HN 0.616 nan 8.270 nan 0.000 0.422 475 R N 0.277 120.656 120.500 -0.202 0.000 2.094 475 R HA -0.158 4.189 4.340 0.011 0.000 0.239 475 R C 2.355 178.378 176.300 -0.461 0.000 1.137 475 R CA 1.408 57.308 56.100 -0.333 0.000 0.943 475 R CB -0.376 29.805 30.300 -0.197 0.000 0.850 475 R HN 0.268 nan 8.270 nan 0.000 0.433 476 L N -0.020 121.012 121.223 -0.319 0.000 2.046 476 L HA -0.198 4.148 4.340 0.011 0.000 0.208 476 L C 2.558 179.361 176.870 -0.111 0.000 1.077 476 L CA 1.372 56.110 54.840 -0.170 0.000 0.747 476 L CB -0.401 41.382 42.059 -0.460 0.000 0.896 476 L HN 0.293 nan 8.230 nan 0.000 0.432 477 M N -0.691 118.785 119.600 -0.207 0.000 2.149 477 M HA -0.197 4.289 4.480 0.011 0.000 0.261 477 M C 2.323 178.610 176.300 -0.021 0.000 1.064 477 M CA 1.578 56.795 55.300 -0.139 0.000 1.102 477 M CB -0.314 32.192 32.600 -0.156 0.000 1.369 477 M HN 0.063 nan 8.290 nan 0.000 0.408 478 K N -0.084 120.271 120.400 -0.075 0.000 2.026 478 K HA -0.135 4.192 4.320 0.011 0.000 0.208 478 K C 1.890 178.549 176.600 0.098 0.000 1.048 478 K CA 1.710 57.970 56.287 -0.045 0.000 0.929 478 K CB -0.595 31.812 32.500 -0.154 0.000 0.713 478 K HN 0.328 nan 8.250 nan 0.000 0.439 479 Y N -0.189 120.236 120.300 0.209 0.000 2.114 479 Y HA -0.241 4.316 4.550 0.013 0.000 0.282 479 Y C 2.475 178.530 175.900 0.258 0.000 1.165 479 Y CA 0.816 59.084 58.100 0.281 0.000 1.148 479 Y CB -0.854 37.918 38.460 0.521 0.000 0.972 479 Y HN 0.235 nan 8.280 nan 0.000 0.504 480 W N 0.504 121.878 121.300 0.123 0.000 2.381 480 W HA -0.211 4.454 4.660 0.009 0.000 0.301 480 W C 2.462 178.976 176.519 -0.009 0.000 1.205 480 W CA 2.077 59.429 57.345 0.011 0.000 1.285 480 W CB -0.520 28.868 29.460 -0.119 0.000 1.133 480 W HN 0.239 nan 8.180 nan 0.000 0.521 481 T N -2.233 112.428 114.554 0.178 0.000 2.904 481 T HA -0.126 4.231 4.350 0.011 0.000 0.267 481 T C 1.429 176.156 174.700 0.045 0.000 1.059 481 T CA 1.091 63.226 62.100 0.058 0.000 1.137 481 T CB -0.566 68.315 68.868 0.022 0.000 0.879 481 T HN -0.082 nan 8.240 nan 0.000 0.467 482 N N 1.059 119.806 118.700 0.078 0.000 2.084 482 N HA -0.011 4.735 4.740 0.011 0.000 0.190 482 N C 1.397 176.905 175.510 -0.002 0.000 1.030 482 N CA 1.086 54.160 53.050 0.041 0.000 0.849 482 N CB -0.746 37.788 38.487 0.079 0.000 1.012 482 N HN 0.453 nan 8.380 nan 0.000 0.423 483 F N 1.752 121.620 119.950 -0.138 0.000 2.126 483 F HA -0.146 4.387 4.527 0.011 0.000 0.299 483 F C 2.177 177.894 175.800 -0.139 0.000 1.096 483 F CA 1.418 59.285 58.000 -0.221 0.000 1.255 483 F CB -0.437 38.343 39.000 -0.367 0.000 0.997 483 F HN 0.046 nan 8.300 nan 0.000 0.479 484 A N 0.500 123.259 122.820 -0.102 0.000 1.902 484 A HA -0.193 4.134 4.320 0.011 0.000 0.217 484 A C 2.375 179.852 177.584 -0.178 0.000 1.181 484 A CA 1.777 53.727 52.037 -0.145 0.000 0.623 484 A CB -0.728 18.244 19.000 -0.046 0.000 0.818 484 A HN 0.451 nan 8.150 nan 0.000 0.443 485 R N -1.185 119.238 120.500 -0.128 0.000 2.066 485 R HA -0.092 4.254 4.340 0.011 0.000 0.232 485 R C 2.136 178.348 176.300 -0.147 0.000 1.131 485 R CA 1.986 58.021 56.100 -0.108 0.000 0.955 485 R CB -0.277 29.985 30.300 -0.063 0.000 0.851 485 R HN 0.740 nan 8.270 nan 0.000 0.432 486 T N -5.543 108.899 114.554 -0.187 0.000 2.975 486 T HA 0.241 4.598 4.350 0.011 0.000 0.261 486 T C 1.158 175.720 174.700 -0.229 0.000 0.984 486 T CA 0.417 62.420 62.100 -0.163 0.000 0.911 486 T CB 1.356 70.165 68.868 -0.098 0.000 1.127 486 T HN 0.356 nan 8.240 nan 0.000 0.514 487 G N 1.334 109.860 108.800 -0.457 0.000 2.143 487 G HA2 -0.157 3.809 3.960 0.011 0.000 0.249 487 G HA3 -0.157 3.809 3.960 0.011 0.000 0.249 487 G C -0.379 174.405 174.900 -0.193 0.000 0.981 487 G CA 0.179 44.918 45.100 -0.601 0.000 0.665 487 G HN 0.816 nan 8.290 nan 0.000 0.528 488 D N -0.742 119.556 120.400 -0.170 0.000 2.855 488 D HA 0.463 5.109 4.640 0.011 0.000 0.241 488 D C -1.372 174.775 176.300 -0.256 0.000 1.277 488 D CA -1.662 52.199 54.000 -0.231 0.000 0.918 488 D CB 2.084 42.839 40.800 -0.075 0.000 1.462 488 D HN -0.014 nan 8.370 nan 0.000 0.559 489 P HA -0.034 nan 4.420 nan 0.000 0.229 489 P C 0.057 177.394 177.300 0.062 0.000 1.160 489 P CA 0.109 63.063 63.100 -0.243 0.000 0.777 489 P CB 0.369 31.647 31.700 -0.703 0.000 0.814 490 N N 1.593 120.284 118.700 -0.015 0.000 2.508 490 N HA -0.003 4.744 4.740 0.011 0.000 0.264 490 N C 0.160 175.742 175.510 0.120 0.000 1.216 490 N CA 0.419 53.551 53.050 0.137 0.000 0.943 490 N CB 0.513 39.065 38.487 0.109 0.000 1.113 490 N HN 0.096 nan 8.380 nan 0.000 0.447 491 D N 1.698 122.185 120.400 0.145 0.000 2.383 491 D HA 0.072 4.718 4.640 0.011 0.000 0.252 491 D C -1.423 174.919 176.300 0.069 0.000 1.166 491 D CA -1.425 52.630 54.000 0.092 0.000 0.879 491 D CB 1.380 42.230 40.800 0.084 0.000 1.164 491 D HN 0.248 nan 8.370 nan 0.000 0.462 492 P HA -0.122 nan 4.420 nan 0.000 0.215 492 P C 0.924 178.247 177.300 0.039 0.000 1.157 492 P CA 1.344 64.467 63.100 0.038 0.000 0.868 492 P CB 0.412 32.126 31.700 0.024 0.000 0.788 493 R N -0.463 120.059 120.500 0.037 0.000 2.048 493 R HA 0.040 4.386 4.340 0.011 0.000 0.224 493 R C 0.961 177.286 176.300 0.042 0.000 1.163 493 R CA 0.714 56.834 56.100 0.034 0.000 0.956 493 R CB -1.658 28.658 30.300 0.027 0.000 0.849 493 R HN 0.120 nan 8.270 nan 0.000 0.435 494 D N 0.786 121.214 120.400 0.046 0.000 2.368 494 D HA -0.033 4.613 4.640 0.011 0.000 0.268 494 D C 0.212 176.552 176.300 0.067 0.000 1.298 494 D CA 0.269 54.300 54.000 0.052 0.000 0.938 494 D CB 0.565 41.396 40.800 0.053 0.000 1.101 494 D HN 0.307 nan 8.370 nan 0.000 0.509 495 S N 1.626 117.362 115.700 0.060 0.000 2.604 495 S HA 0.115 4.592 4.470 0.011 0.000 0.235 495 S C 1.898 176.535 174.600 0.061 0.000 1.043 495 S CA 0.136 58.375 58.200 0.066 0.000 0.997 495 S CB 0.101 63.336 63.200 0.058 0.000 0.956 495 S HN 0.394 nan 8.310 nan 0.000 0.535 496 K N 2.093 122.525 120.400 0.052 0.000 2.097 496 K HA 0.259 4.585 4.320 0.011 0.000 0.206 496 K C 1.221 177.854 176.600 0.055 0.000 1.049 496 K CA 1.366 57.681 56.287 0.047 0.000 0.933 496 K CB -1.235 31.287 32.500 0.038 0.000 0.717 496 K HN 0.477 nan 8.250 nan 0.000 0.442 497 S N 1.658 117.398 115.700 0.067 0.000 2.569 497 S HA 0.263 4.739 4.470 0.011 0.000 0.274 497 S C -2.261 172.396 174.600 0.094 0.000 1.353 497 S CA -0.764 57.486 58.200 0.084 0.000 1.023 497 S CB 0.839 64.103 63.200 0.108 0.000 0.876 497 S HN 0.480 nan 8.310 nan 0.000 0.540 498 P HA 0.242 nan 4.420 nan 0.000 0.279 498 P C -0.702 176.677 177.300 0.132 0.000 1.239 498 P CA -0.555 62.600 63.100 0.091 0.000 0.789 498 P CB 0.462 32.198 31.700 0.061 0.000 0.933 499 Q N 0.823 120.705 119.800 0.137 0.000 2.306 499 Q HA 0.177 4.523 4.340 0.011 0.000 0.241 499 Q C -0.713 175.438 176.000 0.252 0.000 0.948 499 Q CA 0.078 55.998 55.803 0.194 0.000 0.886 499 Q CB 0.968 29.809 28.738 0.172 0.000 1.227 499 Q HN 0.574 nan 8.270 nan 0.000 0.457 500 W N 5.665 127.016 121.300 0.086 0.000 2.283 500 W HA 0.335 5.001 4.660 0.010 0.000 0.317 500 W C -2.473 174.190 176.519 0.240 0.000 1.042 500 W CA -2.584 54.826 57.345 0.108 0.000 1.348 500 W CB 0.541 29.999 29.460 -0.002 0.000 1.216 500 W HN 0.362 nan 8.180 nan 0.000 0.404 501 P HA 0.288 nan 4.420 nan 0.000 0.282 501 P C -2.590 174.924 177.300 0.356 0.000 1.249 501 P CA -1.776 61.549 63.100 0.375 0.000 0.806 501 P CB 0.849 32.684 31.700 0.224 0.000 0.984 502 P HA -0.003 nan 4.420 nan 0.000 0.267 502 P C -0.568 176.738 177.300 0.009 0.000 1.200 502 P CA 0.276 63.203 63.100 -0.289 0.000 0.772 502 P CB 0.019 31.521 31.700 -0.329 0.000 0.855 503 Y N 2.830 123.081 120.300 -0.081 0.000 2.377 503 Y HA 0.333 4.892 4.550 0.016 0.000 0.330 503 Y C 0.403 176.294 175.900 -0.014 0.000 1.108 503 Y CA 0.543 58.658 58.100 0.026 0.000 1.308 503 Y CB 0.285 38.779 38.460 0.057 0.000 1.216 503 Y HN 0.387 nan 8.280 nan 0.000 0.518 504 T N 0.315 114.615 114.554 -0.423 0.000 2.916 504 T HA 0.235 4.591 4.350 0.011 0.000 0.292 504 T C 0.936 175.371 174.700 -0.442 0.000 1.055 504 T CA -0.205 61.725 62.100 -0.283 0.000 1.009 504 T CB 1.303 70.083 68.868 -0.146 0.000 1.118 504 T HN 0.677 nan 8.240 nan 0.000 0.497 505 T N -0.523 113.926 114.554 -0.176 0.000 2.833 505 T HA -0.045 4.312 4.350 0.011 0.000 0.269 505 T C 2.240 176.877 174.700 -0.104 0.000 1.054 505 T CA 1.113 63.151 62.100 -0.104 0.000 1.135 505 T CB -0.855 68.014 68.868 0.002 0.000 0.869 505 T HN 0.867 nan 8.240 nan 0.000 0.466 506 A N 1.798 124.564 122.820 -0.090 0.000 1.855 506 A HA 0.462 4.788 4.320 0.011 0.000 0.215 506 A C 2.681 180.222 177.584 -0.071 0.000 1.191 506 A CA 1.800 53.803 52.037 -0.058 0.000 0.613 506 A CB -1.188 17.790 19.000 -0.038 0.000 0.829 506 A HN 0.816 nan 8.150 nan 0.000 0.442 507 A N -2.544 120.210 122.820 -0.110 0.000 2.197 507 A HA 0.315 4.641 4.320 0.011 0.000 0.210 507 A C 0.921 178.431 177.584 -0.123 0.000 1.180 507 A CA 0.825 52.811 52.037 -0.084 0.000 0.846 507 A CB -0.157 18.812 19.000 -0.052 0.000 0.884 507 A HN 0.527 nan 8.150 nan 0.000 0.487 508 Q N -0.198 119.403 119.800 -0.331 0.000 2.457 508 Q HA -0.224 4.122 4.340 0.011 0.000 0.283 508 Q C -0.716 175.269 176.000 -0.025 0.000 1.234 508 Q CA 0.754 56.272 55.803 -0.475 0.000 0.877 508 Q CB -1.764 26.905 28.738 -0.114 0.000 1.250 508 Q HN 0.838 nan 8.270 nan 0.000 0.481 509 Q N 0.344 120.149 119.800 0.009 0.000 2.288 509 Q HA 0.492 4.839 4.340 0.011 0.000 0.254 509 Q C -0.383 175.920 176.000 0.505 0.000 0.932 509 Q CA -0.033 55.905 55.803 0.225 0.000 0.902 509 Q CB 0.631 29.443 28.738 0.124 0.000 1.203 509 Q HN 0.328 nan 8.270 nan 0.000 0.415 510 Y N -1.757 118.686 120.300 0.239 0.000 2.655 510 Y HA 0.708 5.269 4.550 0.019 0.000 0.336 510 Y C -1.208 174.719 175.900 0.044 0.000 1.154 510 Y CA -1.567 56.673 58.100 0.234 0.000 1.055 510 Y CB 0.548 39.146 38.460 0.230 0.000 1.295 510 Y HN 0.341 nan 8.280 nan 0.000 0.465 511 V N -0.305 119.545 119.914 -0.107 0.000 2.715 511 V HA 0.806 4.932 4.120 0.011 0.000 0.310 511 V C -0.209 175.782 176.094 -0.172 0.000 1.054 511 V CA -0.619 61.454 62.300 -0.378 0.000 0.928 511 V CB 1.211 32.531 31.823 -0.840 0.000 1.007 511 V HN 1.176 nan 8.190 nan 0.000 0.437 512 S N 4.544 120.145 115.700 -0.166 0.000 2.499 512 S HA 0.621 5.098 4.470 0.011 0.000 0.275 512 S C -0.366 174.206 174.600 -0.046 0.000 1.257 512 S CA -0.597 57.581 58.200 -0.037 0.000 1.050 512 S CB 0.369 63.535 63.200 -0.057 0.000 0.937 512 S HN 0.749 nan 8.310 nan 0.000 0.490 513 L N 4.394 125.648 121.223 0.053 0.000 2.264 513 L HA 0.481 4.827 4.340 0.011 0.000 0.287 513 L C -0.209 176.624 176.870 -0.062 0.000 1.039 513 L CA -0.417 54.490 54.840 0.112 0.000 0.829 513 L CB -0.113 42.121 42.059 0.291 0.000 1.211 513 L HN 0.930 nan 8.230 nan 0.000 0.427 514 N N 2.056 120.642 118.700 -0.189 0.000 3.344 514 N HA 0.308 5.054 4.740 0.011 0.000 0.296 514 N C 0.259 175.256 175.510 -0.856 0.000 1.571 514 N CA -0.975 51.692 53.050 -0.638 0.000 0.844 514 N CB 0.620 38.890 38.487 -0.362 0.000 1.718 514 N HN 0.175 nan 8.380 nan 0.000 0.589 515 L N -1.034 119.665 121.223 -0.873 0.000 2.265 515 L HA 0.003 4.349 4.340 0.011 0.000 0.215 515 L C 0.493 177.195 176.870 -0.281 0.000 1.117 515 L CA 1.102 55.565 54.840 -0.629 0.000 0.782 515 L CB -0.574 41.201 42.059 -0.474 0.000 0.914 515 L HN 0.418 nan 8.230 nan 0.000 0.441 516 K N -0.120 120.152 120.400 -0.212 0.000 2.107 516 K HA 0.278 4.604 4.320 0.011 0.000 0.251 516 K C -2.167 174.400 176.600 -0.055 0.000 1.012 516 K CA -1.843 54.380 56.287 -0.107 0.000 0.920 516 K CB 0.101 32.547 32.500 -0.090 0.000 1.033 516 K HN -0.220 nan 8.250 nan 0.000 0.478 517 P HA -0.034 nan 4.420 nan 0.000 0.269 517 P C -0.515 176.789 177.300 0.007 0.000 1.217 517 P CA -0.135 62.978 63.100 0.021 0.000 0.783 517 P CB 0.355 32.069 31.700 0.023 0.000 0.898 518 L N 1.321 122.564 121.223 0.032 0.000 2.640 518 L HA -0.083 4.263 4.340 0.011 0.000 0.280 518 L C 1.178 178.012 176.870 -0.061 0.000 1.229 518 L CA 0.765 55.582 54.840 -0.038 0.000 0.919 518 L CB -0.424 41.605 42.059 -0.051 0.000 1.168 518 L HN 0.508 nan 8.230 nan 0.000 0.496 519 E N 3.666 123.806 120.200 -0.101 0.000 2.171 519 E HA 0.415 4.771 4.350 0.011 0.000 0.271 519 E C -1.263 175.238 176.600 -0.166 0.000 0.916 519 E CA -0.826 55.512 56.400 -0.103 0.000 0.774 519 E CB 1.842 31.490 29.700 -0.087 0.000 1.128 519 E HN 0.304 nan 8.360 nan 0.000 0.403 520 V N 5.037 124.867 119.914 -0.140 0.000 2.498 520 V HA 0.401 4.528 4.120 0.011 0.000 0.279 520 V C 0.292 176.250 176.094 -0.227 0.000 1.048 520 V CA -0.227 61.970 62.300 -0.172 0.000 0.967 520 V CB 0.986 32.768 31.823 -0.068 0.000 0.988 520 V HN 0.714 nan 8.190 nan 0.000 0.473 521 R N 3.790 124.034 120.500 -0.426 0.000 2.854 521 R HA 0.697 5.043 4.340 0.011 0.000 0.271 521 R C -0.881 175.251 176.300 -0.280 0.000 0.994 521 R CA -1.015 54.814 56.100 -0.451 0.000 0.945 521 R CB 2.588 32.430 30.300 -0.763 0.000 1.194 521 R HN 0.590 nan 8.270 nan 0.000 0.476 522 R N 0.227 120.735 120.500 0.014 0.000 2.494 522 R HA 0.485 4.832 4.340 0.011 0.000 0.305 522 R C -0.600 175.906 176.300 0.343 0.000 0.959 522 R CA -0.500 55.709 56.100 0.181 0.000 0.864 522 R CB 2.098 32.451 30.300 0.089 0.000 1.159 522 R HN 0.901 nan 8.270 nan 0.000 0.446 523 G N 2.855 111.889 108.800 0.391 0.000 3.421 523 G HA2 -0.229 3.738 3.960 0.011 0.000 0.656 523 G HA3 -0.229 3.738 3.960 0.011 0.000 0.656 523 G C -0.543 174.505 174.900 0.247 0.000 1.007 523 G CA -0.871 44.401 45.100 0.286 0.000 0.811 523 G HN 0.532 nan 8.290 nan 0.000 0.433 524 L N 3.979 125.239 121.223 0.062 0.000 2.454 524 L HA 0.279 4.625 4.340 0.011 0.000 0.284 524 L C 1.590 178.465 176.870 0.007 0.000 1.139 524 L CA -0.737 53.999 54.840 -0.174 0.000 0.911 524 L CB 0.181 42.089 42.059 -0.251 0.000 1.262 524 L HN 0.714 nan 8.230 nan 0.000 0.453 525 R N 2.139 122.676 120.500 0.063 0.000 3.301 525 R HA -0.287 4.059 4.340 0.011 0.000 0.249 525 R C 1.315 177.705 176.300 0.151 0.000 0.964 525 R CA 0.616 56.793 56.100 0.129 0.000 0.653 525 R CB -1.981 28.407 30.300 0.146 0.000 1.043 525 R HN 0.843 nan 8.270 nan 0.000 0.454 526 A N 0.685 123.590 122.820 0.142 0.000 1.884 526 A HA -0.288 4.039 4.320 0.011 0.000 0.219 526 A C 2.087 179.761 177.584 0.150 0.000 1.197 526 A CA 1.564 53.685 52.037 0.141 0.000 0.637 526 A CB -0.161 18.917 19.000 0.129 0.000 0.827 526 A HN 0.414 nan 8.150 nan 0.000 0.450 527 Q N -0.928 118.960 119.800 0.147 0.000 2.046 527 Q HA -0.103 4.243 4.340 0.011 0.000 0.200 527 Q C 2.291 178.413 176.000 0.204 0.000 0.975 527 Q CA 2.080 57.975 55.803 0.154 0.000 0.836 527 Q CB -1.171 27.644 28.738 0.129 0.000 0.896 527 Q HN 0.683 nan 8.270 nan 0.000 0.428 528 T N 0.366 115.065 114.554 0.241 0.000 2.867 528 T HA -0.106 4.251 4.350 0.011 0.000 0.268 528 T C 1.986 176.919 174.700 0.387 0.000 1.057 528 T CA 1.059 63.333 62.100 0.290 0.000 1.136 528 T CB -0.217 68.872 68.868 0.369 0.000 0.874 528 T HN 0.305 nan 8.240 nan 0.000 0.466 529 c N 1.459 120.267 118.600 0.347 0.000 2.464 529 c HA 0.295 4.872 4.570 0.011 0.000 0.278 529 c C 3.118 177.376 174.090 0.280 0.000 1.375 529 c CA -0.082 56.463 56.329 0.359 0.000 1.761 529 c CB -1.331 41.317 42.510 0.230 0.000 1.944 529 c HN 0.640 nan 8.230 nan 0.000 0.509 530 A N 0.361 123.312 122.820 0.219 0.000 1.908 530 A HA -0.217 4.110 4.320 0.011 0.000 0.218 530 A C 1.869 179.562 177.584 0.183 0.000 1.181 530 A CA 1.712 53.854 52.037 0.175 0.000 0.627 530 A CB -0.813 18.276 19.000 0.150 0.000 0.818 530 A HN 0.548 nan 8.150 nan 0.000 0.445 531 F N -0.811 119.139 119.950 0.001 0.000 2.069 531 F HA -0.197 4.335 4.527 0.009 0.000 0.298 531 F C 1.979 177.741 175.800 -0.064 0.000 1.113 531 F CA 1.950 59.869 58.000 -0.135 0.000 1.214 531 F CB -0.555 38.099 39.000 -0.577 0.000 0.978 531 F HN 0.383 nan 8.300 nan 0.000 0.474 532 W N 0.421 121.732 121.300 0.018 0.000 2.418 532 W HA -0.104 4.561 4.660 0.008 0.000 0.292 532 W C 2.143 178.617 176.519 -0.075 0.000 1.213 532 W CA 0.959 58.263 57.345 -0.068 0.000 1.283 532 W CB -0.494 29.043 29.460 0.127 0.000 1.119 532 W HN -0.025 nan 8.180 nan 0.000 0.542 533 N N -0.555 118.272 118.700 0.211 0.000 2.409 533 N HA 0.058 4.805 4.740 0.011 0.000 0.174 533 N C 1.473 177.015 175.510 0.053 0.000 1.037 533 N CA 0.806 53.926 53.050 0.117 0.000 0.898 533 N CB -0.134 38.423 38.487 0.116 0.000 1.010 533 N HN 0.216 nan 8.380 nan 0.000 0.445 534 R N -1.131 119.402 120.500 0.054 0.000 2.167 534 R HA 0.239 4.585 4.340 0.011 0.000 0.195 534 R C 1.529 177.836 176.300 0.013 0.000 1.027 534 R CA 0.003 56.128 56.100 0.042 0.000 1.114 534 R CB -0.263 30.086 30.300 0.082 0.000 1.075 534 R HN 0.027 nan 8.270 nan 0.000 0.538 535 F N 1.813 121.682 119.950 -0.135 0.000 2.074 535 F HA 0.022 4.555 4.527 0.011 0.000 0.293 535 F C 1.863 177.506 175.800 -0.263 0.000 1.116 535 F CA 1.283 59.170 58.000 -0.189 0.000 1.212 535 F CB -0.340 38.539 39.000 -0.201 0.000 0.998 535 F HN -0.145 nan 8.300 nan 0.000 0.471 536 L N 0.468 121.333 121.223 -0.596 0.000 2.013 536 L HA -0.201 4.146 4.340 0.011 0.000 0.212 536 L C -0.457 176.156 176.870 -0.429 0.000 1.073 536 L CA 1.748 56.214 54.840 -0.623 0.000 0.753 536 L CB -2.057 39.712 42.059 -0.483 0.000 0.890 536 L HN 0.168 nan 8.230 nan 0.000 0.432 537 P HA -0.164 nan 4.420 nan 0.000 0.220 537 P C 1.295 178.464 177.300 -0.219 0.000 1.148 537 P CA 1.343 64.332 63.100 -0.184 0.000 0.803 537 P CB 0.035 31.671 31.700 -0.106 0.000 0.782 538 K N -1.215 119.006 120.400 -0.299 0.000 2.217 538 K HA -0.050 4.277 4.320 0.011 0.000 0.202 538 K C 1.844 178.244 176.600 -0.333 0.000 1.051 538 K CA 0.526 56.651 56.287 -0.269 0.000 0.952 538 K CB -0.595 31.771 32.500 -0.222 0.000 0.736 538 K HN 0.027 nan 8.250 nan 0.000 0.453 539 L N 1.043 121.942 121.223 -0.539 0.000 2.027 539 L HA -0.122 4.225 4.340 0.011 0.000 0.206 539 L C 1.906 178.636 176.870 -0.234 0.000 1.074 539 L CA 1.358 55.942 54.840 -0.427 0.000 0.745 539 L CB -0.594 41.129 42.059 -0.561 0.000 0.898 539 L HN 0.088 nan 8.230 nan 0.000 0.433 540 L N -0.260 120.832 121.223 -0.219 0.000 2.089 540 L HA -0.172 4.174 4.340 0.011 0.000 0.213 540 L C 1.339 178.148 176.870 -0.101 0.000 1.079 540 L CA 1.317 56.078 54.840 -0.133 0.000 0.758 540 L CB -0.928 41.062 42.059 -0.115 0.000 0.891 540 L HN 0.261 nan 8.230 nan 0.000 0.433 541 S N 1.116 116.750 115.700 -0.110 0.000 3.455 541 S HA 0.516 4.993 4.470 0.011 0.000 0.288 541 S C 0.450 175.007 174.600 -0.072 0.000 1.231 541 S CA 0.166 58.317 58.200 -0.080 0.000 1.031 541 S CB -1.283 61.871 63.200 -0.076 0.000 1.570 541 S HN 0.785 nan 8.310 nan 0.000 0.519 542 A N 0.000 122.785 122.820 -0.058 0.000 2.254 542 A HA 0.000 4.326 4.320 0.011 0.000 0.244 542 A CA 0.000 52.010 52.037 -0.045 0.000 0.836 542 A CB 0.000 18.979 19.000 -0.035 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486