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 2xup_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 LARLVGcPPX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSAFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SAT 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 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.718 29.700 0.030 0.000 0.812 2 G N 2.233 111.044 108.800 0.018 0.000 2.892 2 G HA2 0.060 4.024 3.960 0.007 0.000 0.184 2 G HA3 0.060 4.024 3.960 0.007 0.000 0.184 2 G C 0.301 175.210 174.900 0.015 0.000 1.238 2 G CA -0.406 44.703 45.100 0.014 0.000 0.722 2 G HN 0.244 nan 8.290 nan 0.000 0.777 3 R N 1.833 122.341 120.500 0.015 0.000 3.039 3 R HA 0.462 4.806 4.340 0.007 0.000 0.336 3 R C -0.263 176.048 176.300 0.018 0.000 1.258 3 R CA -0.076 56.033 56.100 0.015 0.000 1.125 3 R CB 0.407 30.714 30.300 0.011 0.000 1.427 3 R HN 0.345 nan 8.270 nan 0.000 0.588 4 E N 0.361 120.575 120.200 0.023 0.000 2.202 4 E HA 0.072 4.426 4.350 0.007 0.000 0.272 4 E C -0.814 175.809 176.600 0.038 0.000 0.951 4 E CA -0.884 55.533 56.400 0.029 0.000 0.813 4 E CB 1.444 31.164 29.700 0.033 0.000 1.151 4 E HN 0.061 nan 8.360 nan 0.000 0.398 5 D N 3.509 123.938 120.400 0.049 0.000 2.382 5 D HA 0.005 4.649 4.640 0.007 0.000 0.259 5 D C -1.502 174.838 176.300 0.068 0.000 1.224 5 D CA -1.768 52.275 54.000 0.072 0.000 0.894 5 D CB 0.918 41.783 40.800 0.108 0.000 1.127 5 D HN 0.108 nan 8.370 nan 0.000 0.487 6 P HA -0.124 nan 4.420 nan 0.000 0.234 6 P C 0.842 178.158 177.300 0.026 0.000 1.167 6 P CA 0.593 63.712 63.100 0.031 0.000 0.763 6 P CB 0.458 32.165 31.700 0.012 0.000 0.835 7 Q N -0.499 119.314 119.800 0.022 0.000 2.360 7 Q HA 0.156 4.500 4.340 0.007 0.000 0.202 7 Q C 1.635 177.713 176.000 0.131 0.000 0.915 7 Q CA 0.502 56.300 55.803 -0.008 0.000 0.943 7 Q CB -0.420 28.170 28.738 -0.248 0.000 1.064 7 Q HN 0.233 nan 8.270 nan 0.000 0.511 8 L N -0.376 120.935 121.223 0.147 0.000 2.766 8 L HA 0.312 4.656 4.340 0.007 0.000 0.242 8 L C -0.369 176.669 176.870 0.280 0.000 1.136 8 L CA -0.107 54.838 54.840 0.175 0.000 0.933 8 L CB 0.503 42.594 42.059 0.054 0.000 1.241 8 L HN 0.043 nan 8.230 nan 0.000 0.522 9 L N 1.082 122.428 121.223 0.205 0.000 2.272 9 L HA 0.561 4.905 4.340 0.007 0.000 0.289 9 L C -0.825 176.109 176.870 0.106 0.000 1.032 9 L CA -0.464 54.478 54.840 0.170 0.000 0.810 9 L CB 1.859 43.975 42.059 0.096 0.000 1.205 9 L HN -0.241 nan 8.230 nan 0.000 0.422 10 V N 3.445 123.401 119.914 0.070 0.000 2.851 10 V HA 0.434 4.558 4.120 0.007 0.000 0.307 10 V C -0.424 175.596 176.094 -0.125 0.000 1.129 10 V CA -0.701 61.505 62.300 -0.157 0.000 0.932 10 V CB 2.720 34.224 31.823 -0.532 0.000 1.024 10 V HN 0.721 nan 8.190 nan 0.000 0.426 11 R N 2.590 122.991 120.500 -0.165 0.000 2.428 11 R HA 0.860 5.204 4.340 0.007 0.000 0.294 11 R C -0.766 175.438 176.300 -0.160 0.000 1.000 11 R CA -0.294 55.741 56.100 -0.108 0.000 0.960 11 R CB 1.787 32.025 30.300 -0.103 0.000 1.076 11 R HN 0.711 nan 8.270 nan 0.000 0.475 12 V N 1.290 121.164 119.914 -0.067 0.000 3.156 12 V HA 0.488 4.612 4.120 0.007 0.000 0.311 12 V C 0.810 176.835 176.094 -0.114 0.000 1.208 12 V CA -1.057 61.203 62.300 -0.068 0.000 1.063 12 V CB 1.646 33.577 31.823 0.180 0.000 1.098 12 V HN 0.830 nan 8.190 nan 0.000 0.452 13 R N 1.224 121.645 120.500 -0.132 0.000 2.159 13 R HA 0.035 4.379 4.340 0.007 0.000 0.237 13 R C 1.729 177.916 176.300 -0.190 0.000 1.131 13 R CA 2.386 58.403 56.100 -0.138 0.000 0.982 13 R CB -1.030 29.202 30.300 -0.114 0.000 0.868 13 R HN 1.052 nan 8.270 nan 0.000 0.453 14 G N -1.792 106.869 108.800 -0.231 0.000 2.777 14 G HA2 0.387 4.351 3.960 0.007 0.000 0.211 14 G HA3 0.387 4.351 3.960 0.007 0.000 0.211 14 G C 0.384 174.324 174.900 -1.600 0.000 1.149 14 G CA 0.324 45.014 45.100 -0.682 0.000 0.785 14 G HN 0.719 nan 8.290 nan 0.000 0.536 15 G N -1.088 107.080 108.800 -1.053 0.000 2.320 15 G HA2 0.129 4.093 3.960 0.007 0.000 0.274 15 G HA3 0.129 4.093 3.960 0.007 0.000 0.274 15 G C -1.218 173.588 174.900 -0.157 0.000 1.324 15 G CA -0.941 43.638 45.100 -0.869 0.000 0.957 15 G HN 0.271 nan 8.290 nan 0.000 0.481 16 Q N -0.362 119.497 119.800 0.099 0.000 2.293 16 Q HA 0.671 5.015 4.340 0.007 0.000 0.251 16 Q C -0.392 175.886 176.000 0.462 0.000 0.930 16 Q CA -0.061 55.891 55.803 0.248 0.000 0.893 16 Q CB 1.438 30.276 28.738 0.167 0.000 1.215 16 Q HN 0.438 nan 8.270 nan 0.000 0.425 17 L N 1.745 123.172 121.223 0.340 0.000 2.381 17 L HA 0.603 4.947 4.340 0.007 0.000 0.268 17 L C -0.477 176.588 176.870 0.325 0.000 0.997 17 L CA -0.802 54.256 54.840 0.364 0.000 0.818 17 L CB 2.134 44.453 42.059 0.433 0.000 1.310 17 L HN 0.461 nan 8.230 nan 0.000 0.416 18 R N 0.909 121.568 120.500 0.265 0.000 2.310 18 R HA 0.616 4.960 4.340 0.007 0.000 0.324 18 R C -0.147 176.230 176.300 0.127 0.000 0.955 18 R CA -0.290 55.928 56.100 0.197 0.000 0.830 18 R CB 1.574 31.932 30.300 0.097 0.000 1.154 18 R HN 0.833 nan 8.270 nan 0.000 0.458 19 G N 3.405 112.201 108.800 -0.007 0.000 2.531 19 G HA2 0.440 4.404 3.960 0.007 0.000 0.281 19 G HA3 0.440 4.404 3.960 0.007 0.000 0.281 19 G C -0.890 173.782 174.900 -0.379 0.000 1.382 19 G CA -0.663 44.096 45.100 -0.569 0.000 1.045 19 G HN 0.580 nan 8.290 nan 0.000 0.533 20 I N -0.745 119.554 120.570 -0.452 0.000 2.686 20 I HA 0.456 4.630 4.170 0.007 0.000 0.295 20 I C -0.423 175.562 176.117 -0.220 0.000 1.114 20 I CA -1.058 60.085 61.300 -0.262 0.000 1.038 20 I CB 2.186 40.045 38.000 -0.236 0.000 1.238 20 I HN 0.437 nan 8.210 nan 0.000 0.420 21 R N 7.946 128.356 120.500 -0.149 0.000 2.210 21 R HA 0.496 4.840 4.340 0.007 0.000 0.338 21 R C -1.720 174.474 176.300 -0.177 0.000 1.062 21 R CA -0.352 55.642 56.100 -0.176 0.000 0.902 21 R CB 0.470 30.628 30.300 -0.237 0.000 1.050 21 R HN 0.625 nan 8.270 nan 0.000 0.461 22 L N 4.367 125.503 121.223 -0.146 0.000 2.344 22 L HA 0.428 4.772 4.340 0.007 0.000 0.272 22 L C 0.102 176.897 176.870 -0.124 0.000 1.035 22 L CA -0.906 53.868 54.840 -0.110 0.000 0.807 22 L CB 1.866 43.897 42.059 -0.047 0.000 1.237 22 L HN 0.475 nan 8.230 nan 0.000 0.442 23 K N 2.316 122.651 120.400 -0.108 0.000 2.267 23 K HA 0.554 4.878 4.320 0.007 0.000 0.282 23 K C -0.438 176.100 176.600 -0.103 0.000 1.078 23 K CA -0.323 55.906 56.287 -0.098 0.000 0.903 23 K CB 1.425 33.881 32.500 -0.073 0.000 1.111 23 K HN 0.624 nan 8.250 nan 0.000 0.475 24 A N 4.331 127.089 122.820 -0.104 0.000 2.269 24 A HA 0.421 4.745 4.320 0.007 0.000 0.319 24 A C -1.734 175.851 177.584 0.001 0.000 1.110 24 A CA -1.616 50.359 52.037 -0.104 0.000 0.847 24 A CB 0.381 19.295 19.000 -0.143 0.000 1.161 24 A HN 0.415 nan 8.150 nan 0.000 0.497 25 P HA -0.111 nan 4.420 nan 0.000 0.216 25 P C 1.334 178.661 177.300 0.045 0.000 1.150 25 P CA 2.014 65.159 63.100 0.074 0.000 0.843 25 P CB 0.174 31.941 31.700 0.111 0.000 0.787 26 G N -2.170 106.661 108.800 0.051 0.000 2.985 26 G HA2 0.422 4.386 3.960 0.007 0.000 0.209 26 G HA3 0.422 4.386 3.960 0.007 0.000 0.209 26 G C 0.560 175.475 174.900 0.025 0.000 1.165 26 G CA 0.514 45.636 45.100 0.037 0.000 0.776 26 G HN 0.615 nan 8.290 nan 0.000 0.541 27 G N -0.989 107.818 108.800 0.011 0.000 2.359 27 G HA2 0.366 4.330 3.960 0.007 0.000 0.293 27 G HA3 0.366 4.330 3.960 0.007 0.000 0.293 27 G C -3.473 171.407 174.900 -0.033 0.000 1.300 27 G CA -0.907 44.191 45.100 -0.002 0.000 0.888 27 G HN 0.010 nan 8.290 nan 0.000 0.541 28 P HA 0.536 nan 4.420 nan 0.000 0.277 28 P C -0.014 177.260 177.300 -0.043 0.000 1.240 28 P CA -0.412 62.581 63.100 -0.178 0.000 0.798 28 P CB 1.532 32.931 31.700 -0.501 0.000 0.979 29 V N -1.473 118.421 119.914 -0.034 0.000 3.102 29 V HA 0.724 4.848 4.120 0.007 0.000 0.312 29 V C -0.624 175.555 176.094 0.140 0.000 1.135 29 V CA -0.841 61.533 62.300 0.124 0.000 1.022 29 V CB 2.053 33.956 31.823 0.133 0.000 1.056 29 V HN 0.353 nan 8.190 nan 0.000 0.436 30 S N 1.455 117.294 115.700 0.231 0.000 2.462 30 S HA 0.870 5.344 4.470 0.007 0.000 0.294 30 S C -0.037 174.545 174.600 -0.030 0.000 1.144 30 S CA -0.021 58.242 58.200 0.105 0.000 1.088 30 S CB 1.256 64.594 63.200 0.230 0.000 1.009 30 S HN 1.531 nan 8.310 nan 0.000 0.484 31 A N 2.754 125.378 122.820 -0.327 0.000 2.342 31 A HA 0.826 5.150 4.320 0.007 0.000 0.323 31 A C -1.219 175.932 177.584 -0.723 0.000 1.125 31 A CA -0.618 51.103 52.037 -0.526 0.000 0.785 31 A CB 0.410 19.052 19.000 -0.597 0.000 1.221 31 A HN 0.669 nan 8.150 nan 0.000 0.463 32 F N 2.392 122.159 119.950 -0.305 0.000 2.382 32 F HA 0.537 5.068 4.527 0.006 0.000 0.361 32 F C -0.256 175.337 175.800 -0.344 0.000 1.109 32 F CA -0.367 57.523 58.000 -0.184 0.000 1.031 32 F CB 1.411 40.438 39.000 0.046 0.000 1.234 32 F HN 0.325 nan 8.300 nan 0.000 0.445 33 L N 2.257 123.322 121.223 -0.263 0.000 2.346 33 L HA 0.755 5.099 4.340 0.007 0.000 0.276 33 L C 0.754 177.504 176.870 -0.200 0.000 1.006 33 L CA -0.999 53.610 54.840 -0.385 0.000 0.817 33 L CB 1.905 43.521 42.059 -0.739 0.000 1.272 33 L HN 0.826 nan 8.230 nan 0.000 0.421 34 G N 2.880 111.624 108.800 -0.095 0.000 2.171 34 G HA2 -0.237 3.727 3.960 0.007 0.000 0.238 34 G HA3 -0.237 3.727 3.960 0.007 0.000 0.238 34 G C -0.093 174.856 174.900 0.082 0.000 1.039 34 G CA -0.428 44.642 45.100 -0.050 0.000 0.759 34 G HN 0.483 nan 8.290 nan 0.000 0.501 35 I N 2.199 122.810 120.570 0.068 0.000 2.517 35 I HA 0.234 4.408 4.170 0.007 0.000 0.285 35 I C -1.505 174.651 176.117 0.066 0.000 1.106 35 I CA -1.898 59.424 61.300 0.036 0.000 1.402 35 I CB 0.845 38.811 38.000 -0.057 0.000 1.399 35 I HN -0.034 nan 8.210 nan 0.000 0.535 36 P HA 0.093 nan 4.420 nan 0.000 0.286 36 P C -0.222 177.015 177.300 -0.104 0.000 1.269 36 P CA -0.159 62.792 63.100 -0.249 0.000 0.787 36 P CB 0.590 32.112 31.700 -0.297 0.000 0.920 37 F N 1.151 120.934 119.950 -0.278 0.000 2.682 37 F HA 0.738 5.269 4.527 0.007 0.000 0.308 37 F C 0.025 175.812 175.800 -0.022 0.000 1.093 37 F CA -0.737 57.174 58.000 -0.148 0.000 1.244 37 F CB 0.287 39.105 39.000 -0.304 0.000 1.052 37 F HN 0.318 nan 8.300 nan 0.000 0.573 38 A N -0.023 122.489 122.820 -0.513 0.000 2.606 38 A HA 0.566 4.890 4.320 0.007 0.000 0.293 38 A C -0.959 176.462 177.584 -0.272 0.000 1.082 38 A CA -0.787 51.046 52.037 -0.339 0.000 0.685 38 A CB 0.943 19.658 19.000 -0.474 0.000 1.284 38 A HN 0.036 nan 8.150 nan 0.000 0.408 39 E N 1.423 121.542 120.200 -0.136 0.000 2.415 39 E HA 0.240 4.594 4.350 0.007 0.000 0.263 39 E C -2.311 174.200 176.600 -0.149 0.000 0.995 39 E CA -1.364 54.975 56.400 -0.102 0.000 0.915 39 E CB 0.068 29.745 29.700 -0.039 0.000 0.951 39 E HN 0.245 nan 8.360 nan 0.000 0.449 40 P HA 0.003 nan 4.420 nan 0.000 0.260 40 P C -2.261 174.979 177.300 -0.101 0.000 1.185 40 P CA -0.790 62.228 63.100 -0.137 0.000 0.763 40 P CB -0.034 31.622 31.700 -0.074 0.000 0.776 41 P HA 0.018 nan 4.420 nan 0.000 0.218 41 P C -0.225 177.028 177.300 -0.080 0.000 1.793 41 P CA 0.041 63.091 63.100 -0.083 0.000 0.941 41 P CB -0.120 31.531 31.700 -0.081 0.000 1.919 42 V N -2.706 117.167 119.914 -0.068 0.000 3.177 42 V HA 0.910 5.034 4.120 0.007 0.000 0.319 42 V C 1.012 177.073 176.094 -0.056 0.000 1.125 42 V CA 0.155 62.415 62.300 -0.067 0.000 1.029 42 V CB 0.729 32.521 31.823 -0.051 0.000 1.119 42 V HN 0.534 nan 8.190 nan 0.000 0.452 43 G N 1.975 110.744 108.800 -0.053 0.000 2.596 43 G HA2 -0.356 3.608 3.960 0.007 0.000 0.304 43 G HA3 -0.356 3.608 3.960 0.007 0.000 0.304 43 G C 1.231 176.109 174.900 -0.036 0.000 1.189 43 G CA 1.783 46.861 45.100 -0.036 0.000 0.986 43 G HN 2.408 nan 8.290 nan 0.000 0.548 44 S N 0.357 116.047 115.700 -0.015 0.000 2.555 44 S HA 0.122 4.596 4.470 0.007 0.000 0.230 44 S C 1.893 176.493 174.600 0.001 0.000 0.978 44 S CA 1.409 59.610 58.200 0.002 0.000 0.934 44 S CB 0.042 63.249 63.200 0.012 0.000 0.766 44 S HN 0.671 nan 8.310 nan 0.000 0.533 45 R N 0.675 121.162 120.500 -0.022 0.000 2.317 45 R HA 0.273 4.617 4.340 0.007 0.000 0.208 45 R C 0.886 177.151 176.300 -0.058 0.000 0.914 45 R CA -0.280 55.807 56.100 -0.022 0.000 1.060 45 R CB 0.077 30.361 30.300 -0.027 0.000 1.015 45 R HN 0.365 nan 8.270 nan 0.000 0.498 46 R N 0.711 121.128 120.500 -0.139 0.000 2.585 46 R HA -0.125 4.219 4.340 0.007 0.000 0.275 46 R C -0.319 175.776 176.300 -0.341 0.000 1.018 46 R CA 0.651 56.536 56.100 -0.358 0.000 1.072 46 R CB 0.168 30.110 30.300 -0.597 0.000 0.953 46 R HN 0.112 nan 8.270 nan 0.000 0.419 47 F N -1.073 118.894 119.950 0.028 0.000 2.635 47 F HA -0.346 4.185 4.527 0.006 0.000 0.502 47 F C 0.403 176.197 175.800 -0.009 0.000 0.538 47 F CA 0.831 58.824 58.000 -0.012 0.000 1.064 47 F CB -1.629 37.352 39.000 -0.032 0.000 1.751 47 F HN 0.471 nan 8.300 nan 0.000 0.268 48 M N 1.808 121.486 119.600 0.130 0.000 2.247 48 M HA 0.316 4.800 4.480 0.007 0.000 0.326 48 M C -1.874 174.462 176.300 0.060 0.000 1.134 48 M CA -1.306 54.048 55.300 0.090 0.000 1.136 48 M CB 0.252 32.890 32.600 0.064 0.000 1.454 48 M HN -0.343 nan 8.290 nan 0.000 0.467 49 P HA 0.063 nan 4.420 nan 0.000 0.267 49 P C -2.421 174.909 177.300 0.050 0.000 1.201 49 P CA -0.498 62.640 63.100 0.063 0.000 0.775 49 P CB -0.430 31.316 31.700 0.077 0.000 0.854 50 P HA 0.175 nan 4.420 nan 0.000 0.278 50 P C -0.683 176.646 177.300 0.048 0.000 1.238 50 P CA -0.029 63.090 63.100 0.033 0.000 0.794 50 P CB 0.926 32.651 31.700 0.042 0.000 0.955 51 E N 3.059 123.273 120.200 0.023 0.000 2.231 51 E HA 0.348 4.702 4.350 0.007 0.000 0.277 51 E C -2.226 174.400 176.600 0.044 0.000 0.999 51 E CA -2.266 54.158 56.400 0.039 0.000 0.827 51 E CB 0.184 29.901 29.700 0.027 0.000 1.101 51 E HN 0.348 nan 8.360 nan 0.000 0.393 52 P HA -0.106 nan 4.420 nan 0.000 0.265 52 P C -0.656 176.704 177.300 0.099 0.000 1.187 52 P CA 0.049 63.222 63.100 0.121 0.000 0.766 52 P CB 0.388 32.165 31.700 0.128 0.000 0.820 53 K N 3.825 124.305 120.400 0.133 0.000 2.416 53 K HA 0.031 4.355 4.320 0.007 0.000 0.283 53 K C 0.104 176.810 176.600 0.178 0.000 1.037 53 K CA 0.326 56.695 56.287 0.137 0.000 0.995 53 K CB 0.114 32.732 32.500 0.197 0.000 0.938 53 K HN 0.261 nan 8.250 nan 0.000 0.475 54 R N 5.317 125.903 120.500 0.144 0.000 2.537 54 R HA 0.118 4.462 4.340 0.007 0.000 0.280 54 R C -2.016 174.392 176.300 0.181 0.000 1.058 54 R CA -1.602 54.575 56.100 0.127 0.000 1.057 54 R CB 0.132 30.489 30.300 0.096 0.000 0.973 54 R HN 0.592 nan 8.270 nan 0.000 0.438 55 P HA -0.074 nan 4.420 nan 0.000 0.265 55 P C -0.910 176.423 177.300 0.055 0.000 1.193 55 P CA 0.086 63.140 63.100 -0.076 0.000 0.765 55 P CB 0.270 31.871 31.700 -0.164 0.000 0.823 56 W N 1.825 123.159 121.300 0.058 0.000 2.367 56 W HA 0.678 5.342 4.660 0.006 0.000 0.369 56 W C -0.469 176.076 176.519 0.044 0.000 1.276 56 W CA -0.777 56.598 57.345 0.051 0.000 1.415 56 W CB -0.120 29.376 29.460 0.061 0.000 1.306 56 W HN 0.378 nan 8.180 nan 0.000 0.669 57 S N 0.540 116.404 115.700 0.273 0.000 2.621 57 S HA 0.857 5.331 4.470 0.007 0.000 0.302 57 S C 0.230 174.988 174.600 0.263 0.000 1.093 57 S CA -0.234 58.060 58.200 0.157 0.000 1.017 57 S CB 0.993 64.250 63.200 0.094 0.000 1.077 57 S HN 2.039 nan 8.310 nan 0.000 0.517 58 G N -0.129 108.775 108.800 0.172 0.000 2.750 58 G HA2 -0.122 3.842 3.960 0.007 0.000 0.228 58 G HA3 -0.122 3.842 3.960 0.007 0.000 0.228 58 G C -0.713 174.346 174.900 0.265 0.000 1.367 58 G CA -0.436 44.769 45.100 0.175 0.000 0.871 58 G HN 1.609 nan 8.290 nan 0.000 0.560 59 V N 0.975 121.009 119.914 0.201 0.000 2.368 59 V HA 0.440 4.564 4.120 0.007 0.000 0.266 59 V C 1.031 177.234 176.094 0.183 0.000 1.045 59 V CA -0.074 62.357 62.300 0.218 0.000 0.899 59 V CB 1.007 32.914 31.823 0.141 0.000 1.006 59 V HN 0.798 nan 8.190 nan 0.000 0.470 60 L N 5.043 126.396 121.223 0.217 0.000 2.418 60 L HA 0.245 4.589 4.340 0.007 0.000 0.274 60 L C 0.719 177.588 176.870 -0.002 0.000 1.135 60 L CA 0.201 55.011 54.840 -0.050 0.000 0.870 60 L CB 0.489 42.254 42.059 -0.490 0.000 1.154 60 L HN 0.675 nan 8.230 nan 0.000 0.462 61 D N 4.826 125.202 120.400 -0.040 0.000 2.401 61 D HA 0.114 4.758 4.640 0.007 0.000 0.254 61 D C -0.300 175.965 176.300 -0.059 0.000 1.192 61 D CA 0.275 54.255 54.000 -0.034 0.000 0.885 61 D CB 1.317 42.086 40.800 -0.052 0.000 1.147 61 D HN 0.703 nan 8.370 nan 0.000 0.478 62 A N 3.084 125.889 122.820 -0.025 0.000 2.956 62 A HA 0.157 4.481 4.320 0.007 0.000 0.294 62 A C 0.993 178.494 177.584 -0.139 0.000 0.993 62 A CA -0.394 51.617 52.037 -0.044 0.000 1.032 62 A CB -0.050 19.015 19.000 0.108 0.000 1.129 62 A HN 0.566 nan 8.150 nan 0.000 0.505 63 T N -2.793 111.663 114.554 -0.163 0.000 3.086 63 T HA 0.263 4.617 4.350 0.007 0.000 0.250 63 T C 0.656 175.201 174.700 -0.258 0.000 1.074 63 T CA 0.828 62.802 62.100 -0.210 0.000 0.988 63 T CB -0.331 68.446 68.868 -0.151 0.000 0.988 63 T HN 0.829 nan 8.240 nan 0.000 0.530 64 T N -0.660 113.732 114.554 -0.269 0.000 2.923 64 T HA 0.642 4.996 4.350 0.007 0.000 0.311 64 T C -0.787 173.747 174.700 -0.277 0.000 1.183 64 T CA -0.941 60.998 62.100 -0.268 0.000 1.020 64 T CB 0.847 69.626 68.868 -0.147 0.000 1.165 64 T HN -0.002 nan 8.240 nan 0.000 0.482 65 F N 2.364 122.243 119.950 -0.120 0.000 2.602 65 F HA 0.254 4.785 4.527 0.007 0.000 0.367 65 F C 1.538 177.232 175.800 -0.177 0.000 1.126 65 F CA 0.121 58.049 58.000 -0.120 0.000 1.321 65 F CB 0.414 39.372 39.000 -0.070 0.000 1.094 65 F HN 0.505 nan 8.300 nan 0.000 0.594 66 Q N 1.521 121.310 119.800 -0.019 0.000 2.162 66 Q HA 0.205 4.549 4.340 0.007 0.000 0.197 66 Q C -0.116 175.787 176.000 -0.161 0.000 1.013 66 Q CA -0.803 54.832 55.803 -0.280 0.000 1.040 66 Q CB 0.571 28.810 28.738 -0.832 0.000 1.114 66 Q HN 0.513 nan 8.270 nan 0.000 0.547 67 N N -0.177 118.393 118.700 -0.216 0.000 2.345 67 N HA -0.014 4.730 4.740 0.007 0.000 0.243 67 N C -0.546 174.927 175.510 -0.061 0.000 1.246 67 N CA 0.197 53.178 53.050 -0.115 0.000 0.863 67 N CB 0.335 38.769 38.487 -0.090 0.000 1.096 67 N HN 0.173 nan 8.380 nan 0.000 0.446 68 V N 1.716 121.567 119.914 -0.105 0.000 2.567 68 V HA 0.129 4.253 4.120 0.007 0.000 0.289 68 V C 0.616 176.631 176.094 -0.131 0.000 1.049 68 V CA -0.824 61.403 62.300 -0.122 0.000 0.969 68 V CB 1.273 32.986 31.823 -0.183 0.000 0.995 68 V HN 0.719 nan 8.190 nan 0.000 0.471 69 c N 3.605 122.148 118.600 -0.095 0.000 2.679 69 c HA 0.143 4.717 4.570 0.007 0.000 0.417 69 c C 0.495 174.492 174.090 -0.155 0.000 1.302 69 c CA -0.676 55.600 56.329 -0.090 0.000 1.973 69 c CB -0.826 41.673 42.510 -0.019 0.000 2.715 69 c HN 0.728 nan 8.230 nan 0.000 0.628 70 Y N 3.312 123.441 120.300 -0.285 0.000 2.881 70 Y HA 0.105 4.659 4.550 0.007 0.000 0.335 70 Y C 1.009 176.886 175.900 -0.038 0.000 1.263 70 Y CA 1.205 59.134 58.100 -0.285 0.000 1.572 70 Y CB 0.103 38.118 38.460 -0.742 0.000 1.237 70 Y HN 0.728 nan 8.280 nan 0.000 0.568 71 Q N 2.661 122.440 119.800 -0.034 0.000 2.854 71 Q HA 0.263 4.607 4.340 0.007 0.000 0.331 71 Q C -1.766 174.368 176.000 0.223 0.000 0.859 71 Q CA -1.257 54.682 55.803 0.226 0.000 0.787 71 Q CB 1.327 30.136 28.738 0.119 0.000 1.410 71 Q HN 0.538 nan 8.270 nan 0.000 0.510 72 Y N 1.163 121.627 120.300 0.273 0.000 2.537 72 Y HA 0.273 4.827 4.550 0.007 0.000 0.339 72 Y C -0.554 175.441 175.900 0.157 0.000 1.066 72 Y CA 0.052 58.291 58.100 0.232 0.000 1.357 72 Y CB 0.783 39.404 38.460 0.267 0.000 1.175 72 Y HN 0.343 nan 8.280 nan 0.000 0.525 73 V N 6.513 126.459 119.914 0.053 0.000 2.408 73 V HA 0.006 4.130 4.120 0.007 0.000 0.267 73 V C 0.106 176.331 176.094 0.219 0.000 1.047 73 V CA -0.859 61.491 62.300 0.083 0.000 0.937 73 V CB 0.792 32.591 31.823 -0.040 0.000 0.999 73 V HN 0.638 nan 8.190 nan 0.000 0.472 74 D N 4.369 124.921 120.400 0.253 0.000 2.451 74 D HA -0.013 4.631 4.640 0.007 0.000 0.254 74 D C 1.056 177.475 176.300 0.199 0.000 1.204 74 D CA 0.507 54.670 54.000 0.271 0.000 0.896 74 D CB 1.066 42.033 40.800 0.279 0.000 1.136 74 D HN 0.773 nan 8.370 nan 0.000 0.499 75 T N 1.408 116.072 114.554 0.183 0.000 3.252 75 T HA 0.063 4.417 4.350 0.007 0.000 0.286 75 T C 1.593 176.322 174.700 0.048 0.000 1.013 75 T CA -0.545 61.621 62.100 0.110 0.000 0.914 75 T CB 0.006 68.927 68.868 0.088 0.000 1.131 75 T HN 0.220 nan 8.240 nan 0.000 0.529 76 L N 0.758 121.995 121.223 0.022 0.000 1.989 76 L HA 0.145 4.489 4.340 0.007 0.000 0.211 76 L C -0.198 176.452 176.870 -0.368 0.000 1.071 76 L CA 1.701 56.401 54.840 -0.233 0.000 0.749 76 L CB -0.353 41.483 42.059 -0.371 0.000 0.890 76 L HN 0.433 nan 8.230 nan 0.000 0.431 77 Y N -0.330 120.004 120.300 0.056 0.000 2.787 77 Y HA 0.420 4.974 4.550 0.007 0.000 0.352 77 Y C -2.208 173.745 175.900 0.088 0.000 1.027 77 Y CA -3.456 54.657 58.100 0.020 0.000 1.219 77 Y CB -0.031 38.375 38.460 -0.091 0.000 1.110 77 Y HN 0.068 nan 8.280 nan 0.000 0.614 78 P HA 0.097 nan 4.420 nan 0.000 0.261 78 P C 1.028 178.399 177.300 0.117 0.000 1.183 78 P CA 1.642 64.814 63.100 0.119 0.000 0.761 78 P CB 0.756 32.499 31.700 0.072 0.000 0.785 79 G N 2.735 111.588 108.800 0.088 0.000 2.234 79 G HA2 -0.305 3.659 3.960 0.007 0.000 0.260 79 G HA3 -0.305 3.659 3.960 0.007 0.000 0.260 79 G C 0.079 175.018 174.900 0.064 0.000 0.987 79 G CA -0.324 44.807 45.100 0.051 0.000 0.625 79 G HN 0.544 nan 8.290 nan 0.000 0.532 80 F N 2.320 122.235 119.950 -0.059 0.000 2.467 80 F HA 0.543 5.074 4.527 0.006 0.000 0.362 80 F C 1.417 177.120 175.800 -0.162 0.000 1.090 80 F CA -0.096 57.820 58.000 -0.141 0.000 1.202 80 F CB 1.146 40.045 39.000 -0.168 0.000 1.113 80 F HN 0.237 nan 8.300 nan 0.000 0.541 81 E N 3.858 123.593 120.200 -0.774 0.000 2.153 81 E HA -0.086 4.268 4.350 0.007 0.000 0.194 81 E C 2.162 178.258 176.600 -0.840 0.000 0.988 81 E CA 1.592 57.584 56.400 -0.680 0.000 0.811 81 E CB -0.388 28.985 29.700 -0.545 0.000 0.746 81 E HN 0.944 nan 8.360 nan 0.000 0.466 82 G N -0.545 107.221 108.800 -1.723 0.000 2.448 82 G HA2 -0.288 3.676 3.960 0.007 0.000 0.219 82 G HA3 -0.288 3.676 3.960 0.007 0.000 0.219 82 G C 1.644 176.548 174.900 0.007 0.000 1.127 82 G CA 1.513 45.914 45.100 -1.166 0.000 0.766 82 G HN 0.478 nan 8.290 nan 0.000 0.552 83 T N -2.161 112.424 114.554 0.052 0.000 3.042 83 T HA 0.185 4.539 4.350 0.007 0.000 0.245 83 T C 1.922 176.778 174.700 0.259 0.000 1.029 83 T CA 0.778 63.159 62.100 0.468 0.000 1.120 83 T CB 0.135 69.333 68.868 0.549 0.000 0.917 83 T HN 0.268 nan 8.240 nan 0.000 0.467 84 E N 1.666 121.886 120.200 0.033 0.000 2.208 84 E HA 0.003 4.357 4.350 0.007 0.000 0.193 84 E C 2.077 178.590 176.600 -0.146 0.000 0.988 84 E CA 1.026 57.405 56.400 -0.036 0.000 0.828 84 E CB -0.472 29.183 29.700 -0.076 0.000 0.763 84 E HN 0.770 nan 8.360 nan 0.000 0.478 85 M N -2.007 117.417 119.600 -0.292 0.000 2.539 85 M HA -0.064 4.420 4.480 0.007 0.000 0.261 85 M C 0.929 176.863 176.300 -0.610 0.000 1.069 85 M CA 1.326 56.319 55.300 -0.511 0.000 1.081 85 M CB -0.286 31.909 32.600 -0.676 0.000 1.412 85 M HN 0.030 nan 8.290 nan 0.000 0.482 86 W N 0.538 121.753 121.300 -0.143 0.000 2.996 86 W HA 0.286 4.950 4.660 0.006 0.000 0.270 86 W C 0.459 176.876 176.519 -0.170 0.000 1.280 86 W CA -0.877 56.367 57.345 -0.169 0.000 1.549 86 W CB -0.099 29.296 29.460 -0.109 0.000 1.079 86 W HN 0.085 nan 8.180 nan 0.000 0.629 87 N N 1.587 120.308 118.700 0.034 0.000 2.482 87 N HA 0.117 4.861 4.740 0.007 0.000 0.260 87 N C -2.390 173.056 175.510 -0.106 0.000 1.236 87 N CA -1.358 51.680 53.050 -0.020 0.000 0.938 87 N CB 0.004 38.490 38.487 -0.003 0.000 1.128 87 N HN -0.313 nan 8.380 nan 0.000 0.448 88 P HA 0.056 nan 4.420 nan 0.000 0.266 88 P C 0.143 177.346 177.300 -0.162 0.000 1.195 88 P CA 0.024 63.023 63.100 -0.169 0.000 0.768 88 P CB 0.339 31.934 31.700 -0.176 0.000 0.838 89 N N 1.936 120.526 118.700 -0.183 0.000 2.234 89 N HA 0.105 4.849 4.740 0.007 0.000 0.227 89 N C 0.100 175.530 175.510 -0.133 0.000 1.151 89 N CA -0.097 52.856 53.050 -0.162 0.000 0.865 89 N CB 0.378 38.750 38.487 -0.191 0.000 1.066 89 N HN 0.157 nan 8.380 nan 0.000 0.515 90 R N -0.002 120.417 120.500 -0.136 0.000 2.831 90 R HA 0.257 4.601 4.340 0.007 0.000 0.266 90 R C -0.685 175.539 176.300 -0.128 0.000 1.051 90 R CA -0.650 55.383 56.100 -0.111 0.000 0.943 90 R CB 1.139 31.381 30.300 -0.096 0.000 1.228 90 R HN 0.340 nan 8.270 nan 0.000 0.467 91 E N 1.595 121.725 120.200 -0.117 0.000 2.413 91 E HA 0.031 4.385 4.350 0.007 0.000 0.263 91 E C -0.575 175.922 176.600 -0.173 0.000 1.015 91 E CA -0.074 56.249 56.400 -0.129 0.000 0.916 91 E CB 0.561 30.201 29.700 -0.101 0.000 0.947 91 E HN 0.293 nan 8.360 nan 0.000 0.440 92 L N 3.377 124.455 121.223 -0.242 0.000 2.331 92 L HA 0.255 4.599 4.340 0.007 0.000 0.278 92 L C 0.294 176.997 176.870 -0.279 0.000 1.106 92 L CA -0.072 54.531 54.840 -0.395 0.000 0.824 92 L CB 1.136 42.742 42.059 -0.754 0.000 1.142 92 L HN 0.446 nan 8.230 nan 0.000 0.443 93 S N 1.138 116.729 115.700 -0.182 0.000 2.543 93 S HA 0.194 4.668 4.470 0.007 0.000 0.274 93 S C 0.328 174.929 174.600 0.002 0.000 1.149 93 S CA -0.674 57.526 58.200 -0.000 0.000 0.866 93 S CB 1.591 64.783 63.200 -0.015 0.000 1.111 93 S HN 0.751 nan 8.310 nan 0.000 0.457 94 E N 1.093 121.291 120.200 -0.003 0.000 2.204 94 E HA -0.101 4.253 4.350 0.007 0.000 0.194 94 E C -0.210 176.347 176.600 -0.072 0.000 0.989 94 E CA 0.616 56.938 56.400 -0.129 0.000 0.824 94 E CB 0.044 29.633 29.700 -0.184 0.000 0.756 94 E HN 0.560 nan 8.360 nan 0.000 0.477 95 D N 0.429 120.818 120.400 -0.018 0.000 2.416 95 D HA -0.026 4.618 4.640 0.007 0.000 0.240 95 D C 0.113 176.500 176.300 0.145 0.000 1.250 95 D CA -0.114 53.907 54.000 0.035 0.000 0.967 95 D CB -0.044 40.792 40.800 0.061 0.000 1.059 95 D HN 0.157 nan 8.370 nan 0.000 0.512 96 c N 2.447 121.114 118.600 0.113 0.000 4.015 96 c HA 0.342 4.916 4.570 0.007 0.000 0.323 96 c C 0.728 174.936 174.090 0.197 0.000 1.724 96 c CA -0.653 55.807 56.329 0.218 0.000 1.828 96 c CB -1.181 41.372 42.510 0.072 0.000 3.083 96 c HN 0.428 nan 8.230 nan 0.000 0.640 97 L N 2.495 123.584 121.223 -0.225 0.000 2.384 97 L HA 0.378 4.722 4.340 0.007 0.000 0.258 97 L C -0.943 175.448 176.870 -0.798 0.000 1.266 97 L CA 0.578 55.100 54.840 -0.530 0.000 1.162 97 L CB -0.810 40.757 42.059 -0.821 0.000 1.375 97 L HN 0.404 nan 8.230 nan 0.000 0.420 98 Y N 1.674 122.033 120.300 0.098 0.000 2.545 98 Y HA 0.627 5.181 4.550 0.006 0.000 0.348 98 Y C -0.058 176.029 175.900 0.312 0.000 1.002 98 Y CA -1.280 56.921 58.100 0.169 0.000 1.039 98 Y CB 2.007 40.490 38.460 0.038 0.000 1.271 98 Y HN 0.185 nan 8.280 nan 0.000 0.467 99 L N -0.102 121.282 121.223 0.268 0.000 2.279 99 L HA 0.776 5.120 4.340 0.007 0.000 0.262 99 L C -1.181 175.670 176.870 -0.033 0.000 1.019 99 L CA -1.183 53.678 54.840 0.034 0.000 0.823 99 L CB 1.629 43.504 42.059 -0.307 0.000 1.358 99 L HN 0.499 nan 8.230 nan 0.000 0.432 100 N N -0.055 118.627 118.700 -0.030 0.000 2.229 100 N HA 0.720 5.464 4.740 0.007 0.000 0.298 100 N C -1.573 173.813 175.510 -0.207 0.000 1.114 100 N CA -0.447 52.503 53.050 -0.167 0.000 0.776 100 N CB 2.914 41.324 38.487 -0.129 0.000 1.501 100 N HN 0.480 nan 8.380 nan 0.000 0.474 101 V N 1.298 121.002 119.914 -0.349 0.000 2.638 101 V HA 0.451 4.575 4.120 0.007 0.000 0.306 101 V C -0.905 175.066 176.094 -0.204 0.000 1.052 101 V CA -0.754 61.428 62.300 -0.196 0.000 0.885 101 V CB 2.366 33.935 31.823 -0.424 0.000 0.999 101 V HN 0.569 nan 8.190 nan 0.000 0.424 102 W N 3.138 124.514 121.300 0.126 0.000 2.475 102 W HA 0.657 5.321 4.660 0.008 0.000 0.317 102 W C 0.139 176.756 176.519 0.164 0.000 1.046 102 W CA -0.413 57.013 57.345 0.136 0.000 1.215 102 W CB 2.382 31.907 29.460 0.107 0.000 1.335 102 W HN 0.654 nan 8.180 nan 0.000 0.471 103 T N 0.526 115.318 114.554 0.396 0.000 2.906 103 T HA 0.528 4.882 4.350 0.007 0.000 0.295 103 T C -2.770 172.102 174.700 0.287 0.000 1.075 103 T CA -2.537 59.761 62.100 0.331 0.000 1.005 103 T CB 2.381 71.467 68.868 0.364 0.000 1.136 103 T HN -0.093 nan 8.240 nan 0.000 0.498 104 P HA 0.155 nan 4.420 nan 0.000 0.269 104 P C -1.534 175.908 177.300 0.236 0.000 1.211 104 P CA -0.076 63.143 63.100 0.199 0.000 0.781 104 P CB 0.100 31.887 31.700 0.144 0.000 0.877 105 Y N 2.969 123.322 120.300 0.089 0.000 2.326 105 Y HA 0.411 4.965 4.550 0.006 0.000 0.329 105 Y C -2.193 173.740 175.900 0.055 0.000 0.973 105 Y CA -2.524 55.620 58.100 0.074 0.000 1.162 105 Y CB 1.126 39.618 38.460 0.053 0.000 1.147 105 Y HN 0.330 nan 8.280 nan 0.000 0.456 106 P HA 0.199 nan 4.420 nan 0.000 0.272 106 P C -0.806 176.459 177.300 -0.059 0.000 1.230 106 P CA -0.355 62.572 63.100 -0.289 0.000 0.788 106 P CB 1.023 32.587 31.700 -0.227 0.000 0.949 107 R N 1.664 122.142 120.500 -0.036 0.000 2.583 107 R HA 0.072 4.416 4.340 0.007 0.000 0.274 107 R C -1.649 174.669 176.300 0.030 0.000 0.998 107 R CA -0.663 55.468 56.100 0.051 0.000 1.081 107 R CB -0.537 29.798 30.300 0.059 0.000 0.940 107 R HN 0.478 nan 8.270 nan 0.000 0.413 108 P HA 0.049 nan 4.420 nan 0.000 0.275 108 P C -0.317 176.997 177.300 0.024 0.000 1.228 108 P CA -0.070 63.054 63.100 0.039 0.000 0.786 108 P CB 1.178 32.910 31.700 0.053 0.000 0.927 109 A N 2.700 125.528 122.820 0.013 0.000 1.930 109 A HA -0.006 4.318 4.320 0.007 0.000 0.217 109 A C 1.159 178.746 177.584 0.004 0.000 1.175 109 A CA 1.346 53.385 52.037 0.004 0.000 0.627 109 A CB -0.910 18.090 19.000 -0.000 0.000 0.815 109 A HN 0.704 nan 8.150 nan 0.000 0.443 110 S N -0.431 115.275 115.700 0.010 0.000 2.549 110 S HA 0.603 5.077 4.470 0.007 0.000 0.297 110 S C -3.038 171.571 174.600 0.015 0.000 1.115 110 S CA -1.797 56.407 58.200 0.007 0.000 1.059 110 S CB 1.069 64.272 63.200 0.004 0.000 1.046 110 S HN 0.023 nan 8.310 nan 0.000 0.506 111 P HA 0.143 nan 4.420 nan 0.000 0.261 111 P C -0.581 176.734 177.300 0.024 0.000 1.183 111 P CA 0.348 63.459 63.100 0.019 0.000 0.761 111 P CB 0.149 31.852 31.700 0.005 0.000 0.785 112 T N 5.172 119.752 114.554 0.044 0.000 2.859 112 T HA 0.393 4.747 4.350 0.007 0.000 0.281 112 T C -2.422 172.308 174.700 0.049 0.000 1.005 112 T CA -2.001 60.128 62.100 0.048 0.000 1.025 112 T CB 0.835 69.746 68.868 0.071 0.000 0.977 112 T HN 0.134 nan 8.240 nan 0.000 0.458 113 P HA 0.112 nan 4.420 nan 0.000 0.264 113 P C -0.896 176.443 177.300 0.065 0.000 1.183 113 P CA -0.065 63.053 63.100 0.030 0.000 0.763 113 P CB 0.350 32.053 31.700 0.005 0.000 0.807 114 V N 5.717 125.684 119.914 0.088 0.000 2.398 114 V HA 0.298 4.422 4.120 0.007 0.000 0.286 114 V C 0.208 176.384 176.094 0.138 0.000 1.026 114 V CA -0.431 61.946 62.300 0.129 0.000 0.868 114 V CB 1.275 33.190 31.823 0.153 0.000 0.982 114 V HN 0.311 nan 8.190 nan 0.000 0.443 115 L N 6.232 127.546 121.223 0.151 0.000 2.296 115 L HA 0.585 4.929 4.340 0.007 0.000 0.286 115 L C -0.371 176.723 176.870 0.374 0.000 1.023 115 L CA 0.044 54.985 54.840 0.168 0.000 0.812 115 L CB 1.551 43.566 42.059 -0.073 0.000 1.223 115 L HN 0.460 nan 8.230 nan 0.000 0.421 116 I N 2.721 123.554 120.570 0.440 0.000 2.362 116 I HA 0.238 4.412 4.170 0.007 0.000 0.289 116 I C -0.766 175.673 176.117 0.536 0.000 0.994 116 I CA -0.448 61.106 61.300 0.424 0.000 1.158 116 I CB 1.258 39.384 38.000 0.211 0.000 1.315 116 I HN 0.639 nan 8.210 nan 0.000 0.451 117 W N 8.367 129.811 121.300 0.241 0.000 2.417 117 W HA 0.611 5.274 4.660 0.005 0.000 0.317 117 W C -1.554 174.891 176.519 -0.123 0.000 1.121 117 W CA -0.708 56.573 57.345 -0.108 0.000 1.208 117 W CB 1.375 30.792 29.460 -0.071 0.000 1.253 117 W HN 0.344 nan 8.180 nan 0.000 0.533 118 I N 8.903 128.796 120.570 -1.129 0.000 2.466 118 I HA 0.049 4.223 4.170 0.007 0.000 0.279 118 I C -0.323 175.017 176.117 -1.295 0.000 1.033 118 I CA -1.082 59.654 61.300 -0.940 0.000 1.123 118 I CB 0.527 38.156 38.000 -0.618 0.000 1.237 118 I HN 0.293 nan 8.210 nan 0.000 0.460 119 Y N 4.280 124.065 120.300 -0.858 0.000 2.757 119 Y HA 0.500 5.054 4.550 0.006 0.000 0.344 119 Y C 0.797 176.514 175.900 -0.305 0.000 1.263 119 Y CA -0.539 57.217 58.100 -0.574 0.000 1.493 119 Y CB -0.128 38.187 38.460 -0.241 0.000 1.342 119 Y HN 0.506 nan 8.280 nan 0.000 0.627 120 G N -0.486 108.319 108.800 0.008 0.000 2.583 120 G HA2 0.504 4.468 3.960 0.007 0.000 0.280 120 G HA3 0.504 4.468 3.960 0.007 0.000 0.280 120 G C 0.337 175.192 174.900 -0.075 0.000 1.376 120 G CA -0.924 44.118 45.100 -0.098 0.000 1.043 120 G HN 1.754 nan 8.290 nan 0.000 0.538 121 G N -2.851 105.756 108.800 -0.322 0.000 2.165 121 G HA2 0.403 4.367 3.960 0.007 0.000 0.144 121 G HA3 0.403 4.367 3.960 0.007 0.000 0.144 121 G C 1.034 175.530 174.900 -0.672 0.000 1.049 121 G CA 0.718 45.523 45.100 -0.490 0.000 0.741 121 G HN 2.351 nan 8.290 nan 0.000 0.493 122 G N -0.463 107.863 108.800 -0.791 0.000 2.168 122 G HA2 -0.118 3.846 3.960 0.007 0.000 0.257 122 G HA3 -0.118 3.846 3.960 0.007 0.000 0.257 122 G C 0.877 175.510 174.900 -0.444 0.000 0.997 122 G CA 0.699 45.016 45.100 -1.305 0.000 0.708 122 G HN 1.775 nan 8.290 nan 0.000 0.520 123 F N -3.181 116.687 119.950 -0.137 0.000 2.973 123 F HA -0.306 4.225 4.527 0.006 0.000 0.299 123 F C 1.371 177.330 175.800 0.264 0.000 0.737 123 F CA 2.169 60.206 58.000 0.061 0.000 1.151 123 F CB -2.086 36.794 39.000 -0.200 0.000 1.440 123 F HN 0.975 nan 8.300 nan 0.000 0.367 124 Y N -1.013 119.390 120.300 0.171 0.000 2.527 124 Y HA 0.632 5.186 4.550 0.006 0.000 0.247 124 Y C 0.459 176.452 175.900 0.155 0.000 1.138 124 Y CA 0.347 58.587 58.100 0.233 0.000 1.228 124 Y CB 0.179 38.762 38.460 0.205 0.000 1.252 124 Y HN 0.084 nan 8.280 nan 0.000 0.531 125 S N -0.710 114.700 115.700 -0.484 0.000 2.643 125 S HA 0.856 5.330 4.470 0.007 0.000 0.270 125 S C -0.210 174.162 174.600 -0.379 0.000 1.166 125 S CA -0.510 57.381 58.200 -0.514 0.000 0.815 125 S CB 1.419 64.064 63.200 -0.924 0.000 1.139 125 S HN 1.394 nan 8.310 nan 0.000 0.472 126 G N -0.651 107.890 108.800 -0.431 0.000 2.515 126 G HA2 0.546 4.510 3.960 0.007 0.000 0.686 126 G HA3 0.546 4.510 3.960 0.007 0.000 0.686 126 G C -0.662 173.527 174.900 -1.185 0.000 1.274 126 G CA -0.263 44.413 45.100 -0.707 0.000 0.874 126 G HN 2.276 nan 8.290 nan 0.000 0.631 127 A N -1.061 120.930 122.820 -1.381 0.000 2.582 127 A HA 0.977 5.301 4.320 0.007 0.000 0.297 127 A C 0.513 177.902 177.584 -0.326 0.000 1.059 127 A CA 0.654 52.209 52.037 -0.803 0.000 0.705 127 A CB 0.906 19.668 19.000 -0.397 0.000 1.279 127 A HN 2.598 nan 8.150 nan 0.000 0.404 128 A N 0.646 123.516 122.820 0.084 0.000 2.235 128 A HA 0.285 4.609 4.320 0.007 0.000 0.208 128 A C 1.619 179.245 177.584 0.070 0.000 1.172 128 A CA 1.671 53.918 52.037 0.350 0.000 0.786 128 A CB -0.553 18.723 19.000 0.460 0.000 0.804 128 A HN 1.816 nan 8.150 nan 0.000 0.479 129 S N -0.622 114.875 115.700 -0.338 0.000 2.556 129 S HA 0.324 4.798 4.470 0.007 0.000 0.216 129 S C 0.494 174.639 174.600 -0.758 0.000 0.970 129 S CA -0.469 57.044 58.200 -1.145 0.000 0.912 129 S CB -0.531 61.947 63.200 -1.203 0.000 0.790 129 S HN 0.376 nan 8.310 nan 0.000 0.504 130 L N 2.317 123.276 121.223 -0.440 0.000 2.506 130 L HA 0.102 4.446 4.340 0.007 0.000 0.281 130 L C 1.261 177.805 176.870 -0.543 0.000 1.228 130 L CA -0.322 54.206 54.840 -0.519 0.000 0.850 130 L CB 0.154 41.794 42.059 -0.699 0.000 1.110 130 L HN 0.090 nan 8.230 nan 0.000 0.496 131 D N 1.167 121.285 120.400 -0.470 0.000 2.158 131 D HA -0.153 4.491 4.640 0.007 0.000 0.197 131 D C 1.959 177.980 176.300 -0.465 0.000 0.995 131 D CA 1.418 55.199 54.000 -0.365 0.000 0.846 131 D CB -0.007 40.614 40.800 -0.298 0.000 0.941 131 D HN 0.538 nan 8.370 nan 0.000 0.456 132 V N -1.477 118.011 119.914 -0.711 0.000 3.078 132 V HA -0.147 3.977 4.120 0.007 0.000 0.265 132 V C 1.013 176.469 176.094 -1.064 0.000 1.122 132 V CA 1.011 62.841 62.300 -0.784 0.000 1.141 132 V CB -1.176 30.135 31.823 -0.854 0.000 0.735 132 V HN 0.084 nan 8.190 nan 0.000 0.498 133 Y N 0.161 119.890 120.300 -0.951 0.000 2.571 133 Y HA 0.448 5.002 4.550 0.006 0.000 0.275 133 Y C 0.835 176.093 175.900 -1.070 0.000 1.179 133 Y CA -1.898 55.251 58.100 -1.585 0.000 1.242 133 Y CB -0.768 37.150 38.460 -0.904 0.000 1.126 133 Y HN 0.216 nan 8.280 nan 0.000 0.524 134 D N 0.847 120.900 120.400 -0.579 0.000 2.349 134 D HA 0.037 4.681 4.640 0.007 0.000 0.266 134 D C 1.432 177.366 176.300 -0.609 0.000 1.293 134 D CA 0.417 54.146 54.000 -0.453 0.000 0.926 134 D CB 1.168 41.857 40.800 -0.185 0.000 1.090 134 D HN 0.496 nan 8.370 nan 0.000 0.502 135 G N 3.969 111.797 108.800 -1.620 0.000 2.776 135 G HA2 -0.212 3.752 3.960 0.007 0.000 0.209 135 G HA3 -0.212 3.752 3.960 0.007 0.000 0.209 135 G C 1.502 175.803 174.900 -0.998 0.000 1.145 135 G CA 0.373 44.758 45.100 -1.193 0.000 0.791 135 G HN 0.613 nan 8.290 nan 0.000 0.530 136 R N -0.789 118.983 120.500 -1.213 0.000 2.152 136 R HA 0.028 4.372 4.340 0.007 0.000 0.232 136 R C 1.655 177.678 176.300 -0.462 0.000 1.117 136 R CA 1.255 56.948 56.100 -0.679 0.000 0.981 136 R CB -0.566 29.373 30.300 -0.602 0.000 0.870 136 R HN 0.348 nan 8.270 nan 0.000 0.451 137 F N 1.122 120.968 119.950 -0.174 0.000 2.219 137 F HA 0.151 4.683 4.527 0.007 0.000 0.294 137 F C 2.201 177.945 175.800 -0.094 0.000 1.086 137 F CA 0.424 58.357 58.000 -0.111 0.000 1.330 137 F CB -0.449 38.477 39.000 -0.123 0.000 1.047 137 F HN -0.156 nan 8.300 nan 0.000 0.495 138 L N 0.146 121.412 121.223 0.072 0.000 2.012 138 L HA -0.249 4.095 4.340 0.007 0.000 0.210 138 L C 2.784 179.670 176.870 0.027 0.000 1.073 138 L CA 1.283 56.124 54.840 0.002 0.000 0.748 138 L CB -1.054 40.962 42.059 -0.072 0.000 0.891 138 L HN 0.193 nan 8.230 nan 0.000 0.431 139 A N -0.739 122.102 122.820 0.035 0.000 1.859 139 A HA -0.300 4.024 4.320 0.007 0.000 0.217 139 A C 2.289 179.923 177.584 0.082 0.000 1.198 139 A CA 2.014 54.109 52.037 0.096 0.000 0.629 139 A CB -0.746 18.355 19.000 0.168 0.000 0.830 139 A HN 0.432 nan 8.150 nan 0.000 0.446 140 Q N -0.244 119.588 119.800 0.054 0.000 2.020 140 Q HA -0.121 4.223 4.340 0.007 0.000 0.202 140 Q C 2.256 178.292 176.000 0.060 0.000 0.982 140 Q CA 2.301 58.139 55.803 0.059 0.000 0.838 140 Q CB -0.452 28.306 28.738 0.034 0.000 0.899 140 Q HN 0.420 nan 8.270 nan 0.000 0.423 141 V N 1.237 121.186 119.914 0.058 0.000 2.346 141 V HA -0.124 4.000 4.120 0.007 0.000 0.244 141 V C 1.735 177.847 176.094 0.030 0.000 1.037 141 V CA 1.616 63.943 62.300 0.044 0.000 1.029 141 V CB -0.249 31.598 31.823 0.041 0.000 0.663 141 V HN 0.255 nan 8.190 nan 0.000 0.454 142 E N 0.029 120.245 120.200 0.027 0.000 2.463 142 E HA 0.192 4.546 4.350 0.007 0.000 0.193 142 E C 1.667 178.286 176.600 0.032 0.000 1.041 142 E CA 0.682 57.093 56.400 0.019 0.000 0.879 142 E CB 0.178 29.881 29.700 0.004 0.000 0.997 142 E HN 0.606 nan 8.360 nan 0.000 0.478 143 G N 1.586 110.415 108.800 0.048 0.000 2.203 143 G HA2 -0.313 3.651 3.960 0.007 0.000 0.263 143 G HA3 -0.313 3.651 3.960 0.007 0.000 0.263 143 G C 0.467 175.411 174.900 0.073 0.000 1.012 143 G CA 0.496 45.634 45.100 0.062 0.000 0.749 143 G HN 0.493 nan 8.290 nan 0.000 0.512 144 A N -0.994 121.871 122.820 0.075 0.000 2.279 144 A HA 0.802 5.126 4.320 0.007 0.000 0.303 144 A C 0.308 177.973 177.584 0.135 0.000 1.108 144 A CA -0.153 51.934 52.037 0.084 0.000 0.830 144 A CB 1.541 20.572 19.000 0.051 0.000 1.106 144 A HN 1.076 nan 8.150 nan 0.000 0.493 145 V N 2.118 122.120 119.914 0.147 0.000 2.370 145 V HA 0.414 4.538 4.120 0.007 0.000 0.279 145 V C -0.210 176.017 176.094 0.222 0.000 1.029 145 V CA -0.140 62.279 62.300 0.198 0.000 0.870 145 V CB 0.809 32.742 31.823 0.184 0.000 0.984 145 V HN 0.720 nan 8.190 nan 0.000 0.451 146 L N 5.884 127.294 121.223 0.311 0.000 2.362 146 L HA 0.764 5.108 4.340 0.007 0.000 0.275 146 L C -0.920 176.234 176.870 0.473 0.000 0.998 146 L CA -0.344 54.728 54.840 0.387 0.000 0.820 146 L CB 2.009 44.301 42.059 0.388 0.000 1.270 146 L HN 0.442 nan 8.230 nan 0.000 0.415 147 V N 2.923 123.095 119.914 0.429 0.000 2.604 147 V HA 0.722 4.846 4.120 0.007 0.000 0.305 147 V C -0.473 175.879 176.094 0.430 0.000 1.043 147 V CA -0.427 62.083 62.300 0.351 0.000 0.888 147 V CB 2.061 34.021 31.823 0.228 0.000 0.995 147 V HN 0.845 nan 8.190 nan 0.000 0.429 148 S N 5.154 121.094 115.700 0.400 0.000 2.549 148 S HA 0.874 5.348 4.470 0.007 0.000 0.280 148 S C -0.867 173.877 174.600 0.241 0.000 1.109 148 S CA -0.816 57.625 58.200 0.401 0.000 0.905 148 S CB 2.280 65.847 63.200 0.612 0.000 1.081 148 S HN 0.882 nan 8.310 nan 0.000 0.477 149 M N 1.492 121.195 119.600 0.171 0.000 2.602 149 M HA 0.640 5.124 4.480 0.007 0.000 0.312 149 M C -1.691 174.795 176.300 0.311 0.000 1.181 149 M CA -0.520 54.855 55.300 0.125 0.000 0.910 149 M CB 1.291 33.795 32.600 -0.160 0.000 1.723 149 M HN 0.570 nan 8.290 nan 0.000 0.459 150 N N 2.685 121.634 118.700 0.415 0.000 2.529 150 N HA 0.552 5.296 4.740 0.007 0.000 0.278 150 N C -1.393 174.386 175.510 0.448 0.000 1.146 150 N CA 0.147 53.472 53.050 0.459 0.000 0.980 150 N CB 0.526 39.229 38.487 0.360 0.000 1.124 150 N HN 0.712 nan 8.380 nan 0.000 0.458 151 Y N -1.748 118.719 120.300 0.277 0.000 2.553 151 Y HA 0.558 5.112 4.550 0.007 0.000 0.347 151 Y C -0.039 176.000 175.900 0.231 0.000 1.019 151 Y CA -1.346 56.877 58.100 0.206 0.000 1.032 151 Y CB 0.889 39.409 38.460 0.101 0.000 1.284 151 Y HN 0.198 nan 8.280 nan 0.000 0.466 152 R N 1.823 122.467 120.500 0.241 0.000 2.570 152 R HA 0.460 4.804 4.340 0.007 0.000 0.277 152 R C -0.169 176.288 176.300 0.261 0.000 1.039 152 R CA -0.004 56.194 56.100 0.162 0.000 1.065 152 R CB 0.722 31.084 30.300 0.104 0.000 0.964 152 R HN 0.724 nan 8.270 nan 0.000 0.428 153 V N -0.005 120.102 119.914 0.323 0.000 3.184 153 V HA 0.835 4.959 4.120 0.007 0.000 0.308 153 V C 0.868 177.323 176.094 0.603 0.000 1.243 153 V CA -0.291 62.328 62.300 0.532 0.000 1.058 153 V CB 0.825 32.860 31.823 0.353 0.000 1.183 153 V HN 0.953 nan 8.190 nan 0.000 0.471 154 G N 1.190 110.395 108.800 0.675 0.000 2.574 154 G HA2 -0.315 3.649 3.960 0.007 0.000 0.295 154 G HA3 -0.315 3.649 3.960 0.007 0.000 0.295 154 G C 1.066 176.198 174.900 0.388 0.000 1.300 154 G CA 1.983 47.443 45.100 0.601 0.000 0.944 154 G HN 2.315 nan 8.290 nan 0.000 0.551 155 T N -1.844 112.671 114.554 -0.065 0.000 2.635 155 T HA -0.209 4.145 4.350 0.007 0.000 0.267 155 T C 2.121 176.719 174.700 -0.171 0.000 1.040 155 T CA 2.766 64.556 62.100 -0.516 0.000 1.156 155 T CB -0.559 67.843 68.868 -0.777 0.000 0.863 155 T HN 0.634 nan 8.240 nan 0.000 0.430 156 F N 2.367 122.379 119.950 0.104 0.000 2.184 156 F HA 0.092 4.623 4.527 0.006 0.000 0.301 156 F C 2.773 178.573 175.800 0.000 0.000 1.076 156 F CA 1.041 59.057 58.000 0.027 0.000 1.295 156 F CB -1.036 37.959 39.000 -0.007 0.000 1.026 156 F HN 0.411 nan 8.300 nan 0.000 0.494 157 G N -2.189 106.689 108.800 0.131 0.000 2.656 157 G HA2 0.038 4.002 3.960 0.007 0.000 0.211 157 G HA3 0.038 4.002 3.960 0.007 0.000 0.211 157 G C 0.808 175.176 174.900 -0.887 0.000 1.137 157 G CA 0.217 45.095 45.100 -0.370 0.000 0.802 157 G HN 0.371 nan 8.290 nan 0.000 0.527 158 F N -0.670 119.401 119.950 0.201 0.000 2.960 158 F HA 0.414 4.945 4.527 0.007 0.000 0.345 158 F C 0.228 176.150 175.800 0.203 0.000 1.147 158 F CA -0.942 57.160 58.000 0.170 0.000 1.099 158 F CB 0.319 39.422 39.000 0.172 0.000 1.219 158 F HN -0.080 nan 8.300 nan 0.000 0.525 159 L N 2.306 123.631 121.223 0.170 0.000 2.418 159 L HA 0.660 5.004 4.340 0.007 0.000 0.274 159 L C -0.022 176.864 176.870 0.027 0.000 1.135 159 L CA -0.057 54.812 54.840 0.048 0.000 0.870 159 L CB 0.467 42.288 42.059 -0.397 0.000 1.154 159 L HN 0.132 nan 8.230 nan 0.000 0.462 160 A N 6.301 129.177 122.820 0.093 0.000 2.355 160 A HA 0.675 4.999 4.320 0.007 0.000 0.317 160 A C -0.965 176.616 177.584 -0.005 0.000 1.094 160 A CA -0.605 51.450 52.037 0.030 0.000 0.764 160 A CB 1.212 20.253 19.000 0.069 0.000 1.230 160 A HN 0.746 nan 8.150 nan 0.000 0.448 161 L N 3.789 124.987 121.223 -0.041 0.000 2.371 161 L HA 0.320 4.664 4.340 0.007 0.000 0.262 161 L C -2.392 174.473 176.870 -0.008 0.000 1.054 161 L CA -1.706 53.116 54.840 -0.030 0.000 0.924 161 L CB 1.345 43.370 42.059 -0.057 0.000 1.295 161 L HN 0.423 nan 8.230 nan 0.000 0.441 162 P HA 0.107 nan 4.420 nan 0.000 0.266 162 P C 0.989 178.297 177.300 0.013 0.000 1.195 162 P CA 0.566 63.676 63.100 0.016 0.000 0.768 162 P CB 1.005 32.716 31.700 0.018 0.000 0.838 163 G N 1.393 110.205 108.800 0.019 0.000 2.267 163 G HA2 -0.272 3.692 3.960 0.007 0.000 0.257 163 G HA3 -0.272 3.692 3.960 0.007 0.000 0.257 163 G C 0.544 175.453 174.900 0.015 0.000 0.998 163 G CA 0.400 45.510 45.100 0.017 0.000 0.620 163 G HN 0.845 nan 8.290 nan 0.000 0.529 164 S N -0.544 115.163 115.700 0.011 0.000 2.600 164 S HA 0.623 5.097 4.470 0.007 0.000 0.265 164 S C 1.202 175.814 174.600 0.020 0.000 1.325 164 S CA 0.775 58.981 58.200 0.010 0.000 1.002 164 S CB 1.751 64.949 63.200 -0.003 0.000 0.921 164 S HN 0.424 nan 8.310 nan 0.000 0.554 165 R N 0.284 120.798 120.500 0.023 0.000 2.206 165 R HA 0.192 4.536 4.340 0.007 0.000 0.198 165 R C 1.865 178.190 176.300 0.041 0.000 0.986 165 R CA 0.941 57.061 56.100 0.032 0.000 1.029 165 R CB 0.019 30.337 30.300 0.030 0.000 0.966 165 R HN 0.878 nan 8.270 nan 0.000 0.487 166 E N -0.828 119.396 120.200 0.040 0.000 2.474 166 E HA 0.133 4.487 4.350 0.007 0.000 0.194 166 E C -0.435 176.213 176.600 0.080 0.000 1.041 166 E CA 0.365 56.802 56.400 0.061 0.000 0.874 166 E CB 0.900 30.637 29.700 0.061 0.000 0.914 166 E HN 0.139 nan 8.360 nan 0.000 0.498 167 A N 2.469 125.312 122.820 0.038 0.000 3.307 167 A HA 0.322 4.646 4.320 0.007 0.000 0.289 167 A C -2.266 175.324 177.584 0.011 0.000 1.138 167 A CA -0.891 51.156 52.037 0.016 0.000 0.860 167 A CB 0.905 19.826 19.000 -0.132 0.000 1.318 167 A HN -0.068 nan 8.150 nan 0.000 0.551 168 P HA 0.173 nan 4.420 nan 0.000 0.236 168 P C 0.955 178.283 177.300 0.047 0.000 1.177 168 P CA 1.641 64.767 63.100 0.044 0.000 0.773 168 P CB 0.210 31.945 31.700 0.059 0.000 0.878 169 G N 1.107 109.935 108.800 0.047 0.000 2.795 169 G HA2 -0.226 3.738 3.960 0.007 0.000 0.664 169 G HA3 -0.226 3.738 3.960 0.007 0.000 0.664 169 G C 0.057 174.977 174.900 0.033 0.000 1.381 169 G CA -0.233 44.902 45.100 0.059 0.000 0.853 169 G HN 0.160 nan 8.290 nan 0.000 0.545 170 N N -2.509 116.217 118.700 0.043 0.000 2.732 170 N HA -0.305 4.439 4.740 0.007 0.000 0.250 170 N C 1.928 177.332 175.510 -0.175 0.000 1.097 170 N CA 2.496 55.510 53.050 -0.059 0.000 0.812 170 N CB -1.581 36.782 38.487 -0.206 0.000 1.148 170 N HN 1.939 nan 8.380 nan 0.000 0.572 171 V N -2.286 117.524 119.914 -0.174 0.000 2.720 171 V HA -0.019 4.105 4.120 0.007 0.000 0.256 171 V C 2.308 178.288 176.094 -0.190 0.000 1.082 171 V CA 2.330 64.556 62.300 -0.123 0.000 1.101 171 V CB -0.921 30.875 31.823 -0.045 0.000 0.693 171 V HN 0.278 nan 8.190 nan 0.000 0.479 172 G N 0.627 109.105 108.800 -0.536 0.000 2.418 172 G HA2 -0.174 3.790 3.960 0.007 0.000 0.217 172 G HA3 -0.174 3.790 3.960 0.007 0.000 0.217 172 G C 1.538 176.437 174.900 -0.002 0.000 1.158 172 G CA 1.246 46.145 45.100 -0.335 0.000 0.771 172 G HN 0.553 nan 8.290 nan 0.000 0.545 173 L N -0.168 121.018 121.223 -0.062 0.000 2.156 173 L HA 0.106 4.450 4.340 0.007 0.000 0.208 173 L C 2.785 179.697 176.870 0.070 0.000 1.095 173 L CA 0.246 55.004 54.840 -0.137 0.000 0.770 173 L CB -0.244 41.397 42.059 -0.697 0.000 0.914 173 L HN 0.176 nan 8.230 nan 0.000 0.439 174 L N -0.579 120.686 121.223 0.071 0.000 2.156 174 L HA -0.173 4.171 4.340 0.007 0.000 0.208 174 L C 2.149 179.152 176.870 0.222 0.000 1.095 174 L CA 0.752 55.720 54.840 0.214 0.000 0.770 174 L CB -0.545 41.615 42.059 0.169 0.000 0.914 174 L HN 0.271 nan 8.230 nan 0.000 0.439 175 D N 0.051 120.573 120.400 0.202 0.000 2.104 175 D HA -0.219 4.425 4.640 0.007 0.000 0.194 175 D C 2.243 178.731 176.300 0.313 0.000 0.994 175 D CA 1.239 55.437 54.000 0.330 0.000 0.830 175 D CB -0.243 40.759 40.800 0.337 0.000 0.959 175 D HN 0.389 nan 8.370 nan 0.000 0.452 176 Q N 0.016 119.924 119.800 0.180 0.000 2.084 176 Q HA -0.128 4.216 4.340 0.007 0.000 0.202 176 Q C 2.289 178.305 176.000 0.027 0.000 0.978 176 Q CA 0.979 56.812 55.803 0.050 0.000 0.844 176 Q CB -0.076 28.689 28.738 0.045 0.000 0.898 176 Q HN 0.220 nan 8.270 nan 0.000 0.426 177 R N 0.574 121.182 120.500 0.180 0.000 2.115 177 R HA -0.136 4.208 4.340 0.007 0.000 0.230 177 R C 2.162 178.539 176.300 0.129 0.000 1.111 177 R CA 0.702 56.888 56.100 0.143 0.000 0.976 177 R CB -0.100 30.383 30.300 0.305 0.000 0.870 177 R HN 0.208 nan 8.270 nan 0.000 0.445 178 L N 0.807 122.146 121.223 0.194 0.000 2.056 178 L HA 0.005 4.349 4.340 0.007 0.000 0.207 178 L C 2.265 179.246 176.870 0.185 0.000 1.078 178 L CA 2.071 57.063 54.840 0.252 0.000 0.749 178 L CB -0.672 41.613 42.059 0.377 0.000 0.901 178 L HN 0.217 nan 8.230 nan 0.000 0.433 179 A N -0.548 122.208 122.820 -0.106 0.000 1.978 179 A HA -0.164 4.161 4.320 0.007 0.000 0.220 179 A C 2.233 179.783 177.584 -0.057 0.000 1.170 179 A CA 1.897 53.664 52.037 -0.450 0.000 0.636 179 A CB -0.804 17.646 19.000 -0.916 0.000 0.810 179 A HN 0.514 nan 8.150 nan 0.000 0.448 180 L N -1.338 119.873 121.223 -0.020 0.000 2.056 180 L HA -0.226 4.118 4.340 0.007 0.000 0.207 180 L C 2.840 179.776 176.870 0.110 0.000 1.078 180 L CA 1.630 56.492 54.840 0.037 0.000 0.749 180 L CB -0.847 41.197 42.059 -0.025 0.000 0.901 180 L HN 0.482 nan 8.230 nan 0.000 0.433 181 Q N -0.888 118.986 119.800 0.123 0.000 2.096 181 Q HA -0.277 4.067 4.340 0.007 0.000 0.204 181 Q C 2.012 178.112 176.000 0.166 0.000 0.982 181 Q CA 2.203 58.084 55.803 0.131 0.000 0.850 181 Q CB -0.299 28.521 28.738 0.138 0.000 0.901 181 Q HN 0.499 nan 8.270 nan 0.000 0.422 182 W N 0.179 121.510 121.300 0.051 0.000 2.335 182 W HA -0.256 4.407 4.660 0.006 0.000 0.311 182 W C 1.881 178.439 176.519 0.065 0.000 1.213 182 W CA 1.526 58.914 57.345 0.072 0.000 1.274 182 W CB -0.217 29.286 29.460 0.072 0.000 1.148 182 W HN -0.114 nan 8.180 nan 0.000 0.498 183 V N 0.771 120.903 119.914 0.364 0.000 2.343 183 V HA -0.350 3.774 4.120 0.007 0.000 0.247 183 V C 2.543 178.670 176.094 0.055 0.000 1.051 183 V CA 2.043 64.483 62.300 0.233 0.000 1.036 183 V CB -1.031 30.943 31.823 0.251 0.000 0.654 183 V HN 0.211 nan 8.190 nan 0.000 0.451 184 Q N -0.110 119.723 119.800 0.055 0.000 2.061 184 Q HA -0.275 4.069 4.340 0.007 0.000 0.204 184 Q C 2.266 178.239 176.000 -0.045 0.000 0.984 184 Q CA 2.313 58.130 55.803 0.023 0.000 0.846 184 Q CB -0.303 28.455 28.738 0.033 0.000 0.902 184 Q HN 0.826 nan 8.270 nan 0.000 0.421 185 E N -0.380 119.754 120.200 -0.110 0.000 2.158 185 E HA -0.073 4.281 4.350 0.007 0.000 0.191 185 E C 1.325 177.773 176.600 -0.253 0.000 0.982 185 E CA 0.733 57.036 56.400 -0.163 0.000 0.823 185 E CB 0.296 29.895 29.700 -0.167 0.000 0.766 185 E HN 0.283 nan 8.360 nan 0.000 0.468 186 N N 0.013 118.458 118.700 -0.425 0.000 2.463 186 N HA -0.022 4.722 4.740 0.007 0.000 0.183 186 N C 1.616 176.993 175.510 -0.222 0.000 1.064 186 N CA 0.130 52.865 53.050 -0.525 0.000 0.879 186 N CB 0.123 37.876 38.487 -1.223 0.000 1.148 186 N HN 0.115 nan 8.380 nan 0.000 0.451 187 I N 2.510 123.024 120.570 -0.094 0.000 2.502 187 I HA -0.192 3.982 4.170 0.007 0.000 0.258 187 I C 2.066 178.285 176.117 0.172 0.000 1.172 187 I CA 0.483 61.886 61.300 0.172 0.000 1.430 187 I CB -0.269 37.823 38.000 0.153 0.000 1.086 187 I HN 0.074 nan 8.210 nan 0.000 0.440 188 A N -0.042 122.799 122.820 0.034 0.000 2.015 188 A HA -0.039 4.285 4.320 0.007 0.000 0.219 188 A C 2.491 180.044 177.584 -0.053 0.000 1.163 188 A CA 1.342 53.380 52.037 0.002 0.000 0.646 188 A CB -0.928 18.053 19.000 -0.033 0.000 0.806 188 A HN 0.453 nan 8.150 nan 0.000 0.448 189 A N -1.132 121.597 122.820 -0.151 0.000 2.019 189 A HA 0.009 4.333 4.320 0.007 0.000 0.219 189 A C 1.592 178.907 177.584 -0.448 0.000 1.164 189 A CA 1.280 53.099 52.037 -0.363 0.000 0.644 189 A CB -0.659 17.991 19.000 -0.584 0.000 0.805 189 A HN 0.512 nan 8.150 nan 0.000 0.449 190 F N -1.111 118.792 119.950 -0.078 0.000 2.727 190 F HA 0.372 4.904 4.527 0.007 0.000 0.302 190 F C 1.747 177.560 175.800 0.021 0.000 1.097 190 F CA 0.575 58.551 58.000 -0.039 0.000 1.330 190 F CB 0.199 39.190 39.000 -0.015 0.000 1.084 190 F HN 0.330 nan 8.300 nan 0.000 0.578 191 G N 0.512 109.385 108.800 0.122 0.000 2.132 191 G HA2 -0.164 3.801 3.960 0.007 0.000 0.234 191 G HA3 -0.164 3.801 3.960 0.007 0.000 0.234 191 G C 0.502 175.467 174.900 0.109 0.000 0.989 191 G CA -0.243 44.912 45.100 0.091 0.000 0.676 191 G HN 0.718 nan 8.290 nan 0.000 0.522 192 G N -0.602 108.280 108.800 0.138 0.000 2.400 192 G HA2 0.502 4.466 3.960 0.007 0.000 0.301 192 G HA3 0.502 4.466 3.960 0.007 0.000 0.301 192 G C -0.717 174.231 174.900 0.079 0.000 1.154 192 G CA 0.111 45.284 45.100 0.121 0.000 0.852 192 G HN 0.227 nan 8.290 nan 0.000 0.511 193 D N 1.675 122.112 120.400 0.062 0.000 2.380 193 D HA 0.289 4.933 4.640 0.007 0.000 0.230 193 D C -1.296 175.033 176.300 0.049 0.000 1.154 193 D CA -2.389 51.630 54.000 0.033 0.000 0.859 193 D CB 1.907 42.709 40.800 0.003 0.000 1.045 193 D HN 0.050 nan 8.370 nan 0.000 0.495 194 P HA -0.004 nan 4.420 nan 0.000 0.237 194 P C 1.161 178.551 177.300 0.150 0.000 1.178 194 P CA 0.505 63.666 63.100 0.101 0.000 0.766 194 P CB 0.118 31.860 31.700 0.070 0.000 0.876 195 M N -1.219 118.394 119.600 0.022 0.000 2.561 195 M HA 0.078 4.562 4.480 0.007 0.000 0.238 195 M C 0.610 176.547 176.300 -0.605 0.000 1.131 195 M CA 0.512 55.711 55.300 -0.168 0.000 1.046 195 M CB 0.129 32.643 32.600 -0.143 0.000 1.532 195 M HN -0.185 nan 8.290 nan 0.000 0.497 196 S N 0.758 116.324 115.700 -0.224 0.000 2.293 196 S HA 0.399 4.873 4.470 0.007 0.000 0.154 196 S C -1.023 173.641 174.600 0.106 0.000 1.602 196 S CA -0.561 57.547 58.200 -0.154 0.000 1.260 196 S CB 0.376 63.502 63.200 -0.122 0.000 1.270 196 S HN -0.024 nan 8.310 nan 0.000 0.416 197 V N 3.762 123.897 119.914 0.367 0.000 2.384 197 V HA 0.508 4.632 4.120 0.007 0.000 0.287 197 V C 0.090 176.374 176.094 0.318 0.000 1.020 197 V CA -0.434 62.054 62.300 0.314 0.000 0.850 197 V CB 1.776 33.783 31.823 0.307 0.000 0.987 197 V HN 0.704 nan 8.190 nan 0.000 0.436 198 T N 6.759 121.444 114.554 0.219 0.000 2.758 198 T HA 0.561 4.915 4.350 0.007 0.000 0.285 198 T C -0.116 174.716 174.700 0.220 0.000 0.981 198 T CA -0.319 61.909 62.100 0.213 0.000 0.965 198 T CB 0.685 69.635 68.868 0.137 0.000 0.927 198 T HN 0.346 nan 8.240 nan 0.000 0.448 199 L N 5.177 126.488 121.223 0.147 0.000 2.349 199 L HA 0.630 4.974 4.340 0.007 0.000 0.275 199 L C -0.111 176.945 176.870 0.309 0.000 1.115 199 L CA -0.668 54.234 54.840 0.103 0.000 0.820 199 L CB 0.148 42.049 42.059 -0.264 0.000 1.135 199 L HN 0.699 nan 8.230 nan 0.000 0.445 200 F N 0.305 120.315 119.950 0.099 0.000 2.613 200 F HA 0.962 5.493 4.527 0.006 0.000 0.310 200 F C -0.169 175.625 175.800 -0.009 0.000 1.085 200 F CA -0.710 57.394 58.000 0.174 0.000 0.945 200 F CB 2.319 41.552 39.000 0.388 0.000 1.298 200 F HN 0.521 nan 8.300 nan 0.000 0.455 201 G N 1.263 109.899 108.800 -0.274 0.000 2.489 201 G HA2 0.431 4.395 3.960 0.007 0.000 0.291 201 G HA3 0.431 4.395 3.960 0.007 0.000 0.291 201 G C -2.730 171.943 174.900 -0.378 0.000 1.487 201 G CA -0.754 43.763 45.100 -0.972 0.000 0.795 201 G HN 0.850 nan 8.290 nan 0.000 0.513 202 E N 0.396 120.351 120.200 -0.407 0.000 2.256 202 E HA 0.673 5.027 4.350 0.007 0.000 0.267 202 E C 0.672 177.222 176.600 -0.082 0.000 0.892 202 E CA 0.364 56.751 56.400 -0.023 0.000 0.775 202 E CB 2.189 32.028 29.700 0.232 0.000 1.207 202 E HN 1.060 nan 8.360 nan 0.000 0.420 203 S N 2.555 118.272 115.700 0.030 0.000 4.059 203 S HA -0.390 4.084 4.470 0.007 0.000 0.624 203 S C 1.472 176.161 174.600 0.149 0.000 2.019 203 S CA 2.091 60.374 58.200 0.140 0.000 4.197 203 S CB -1.601 61.576 63.200 -0.039 0.000 0.215 203 S HN 1.017 nan 8.310 nan 0.000 0.609 204 A N 0.971 123.756 122.820 -0.058 0.000 1.986 204 A HA 0.063 4.387 4.320 0.007 0.000 0.220 204 A C 2.525 179.861 177.584 -0.413 0.000 1.171 204 A CA 2.714 54.512 52.037 -0.399 0.000 0.640 204 A CB -1.693 16.647 19.000 -1.100 0.000 0.811 204 A HN 1.662 nan 8.150 nan 0.000 0.451 205 G N -0.549 108.052 108.800 -0.331 0.000 2.421 205 G HA2 -0.008 3.956 3.960 0.007 0.000 0.216 205 G HA3 -0.008 3.956 3.960 0.007 0.000 0.216 205 G C 1.795 176.522 174.900 -0.287 0.000 1.171 205 G CA 1.491 46.348 45.100 -0.406 0.000 0.775 205 G HN 0.826 nan 8.290 nan 0.000 0.543 206 A N 1.389 124.107 122.820 -0.170 0.000 1.873 206 A HA 0.127 4.451 4.320 0.007 0.000 0.218 206 A C 2.865 180.427 177.584 -0.037 0.000 1.193 206 A CA 2.708 54.710 52.037 -0.058 0.000 0.629 206 A CB -1.047 17.980 19.000 0.045 0.000 0.826 206 A HN 0.955 nan 8.150 nan 0.000 0.447 207 A N -0.584 122.243 122.820 0.011 0.000 1.917 207 A HA -0.132 4.192 4.320 0.007 0.000 0.219 207 A C 2.450 180.034 177.584 0.001 0.000 1.182 207 A CA 2.325 54.363 52.037 0.001 0.000 0.633 207 A CB -0.931 18.104 19.000 0.058 0.000 0.819 207 A HN 0.501 nan 8.150 nan 0.000 0.448 208 S N -0.531 115.159 115.700 -0.017 0.000 2.356 208 S HA -0.125 4.349 4.470 0.007 0.000 0.223 208 S C 1.902 176.424 174.600 -0.130 0.000 1.032 208 S CA 1.325 59.464 58.200 -0.102 0.000 1.005 208 S CB -0.586 62.505 63.200 -0.182 0.000 0.867 208 S HN 0.352 nan 8.310 nan 0.000 0.449 209 V N 1.920 121.788 119.914 -0.077 0.000 2.282 209 V HA -0.221 3.903 4.120 0.007 0.000 0.249 209 V C 2.660 178.735 176.094 -0.030 0.000 1.057 209 V CA 2.106 64.376 62.300 -0.050 0.000 1.032 209 V CB -1.563 30.207 31.823 -0.089 0.000 0.645 209 V HN 0.607 nan 8.190 nan 0.000 0.447 210 G N -1.109 107.670 108.800 -0.035 0.000 2.442 210 G HA2 -0.285 3.679 3.960 0.007 0.000 0.219 210 G HA3 -0.285 3.679 3.960 0.007 0.000 0.219 210 G C 1.605 176.515 174.900 0.015 0.000 1.141 210 G CA 1.127 46.217 45.100 -0.017 0.000 0.763 210 G HN 0.462 nan 8.290 nan 0.000 0.554 211 M N -0.207 119.376 119.600 -0.028 0.000 2.229 211 M HA 0.015 4.499 4.480 0.007 0.000 0.264 211 M C 2.285 178.645 176.300 0.099 0.000 1.063 211 M CA 0.816 56.127 55.300 0.018 0.000 1.114 211 M CB -0.221 32.351 32.600 -0.047 0.000 1.387 211 M HN 0.211 nan 8.290 nan 0.000 0.420 212 H N -0.055 119.130 119.070 0.191 0.000 2.395 212 H HA 0.007 4.567 4.556 0.006 0.000 0.299 212 H C 2.106 177.631 175.328 0.329 0.000 1.070 212 H CA 1.352 57.535 56.048 0.224 0.000 1.356 212 H CB -0.305 29.496 29.762 0.064 0.000 1.401 212 H HN 0.412 nan 8.280 nan 0.000 0.524 213 I N 0.663 121.478 120.570 0.408 0.000 2.361 213 I HA -0.218 3.956 4.170 0.007 0.000 0.251 213 I C 1.758 178.050 176.117 0.293 0.000 1.133 213 I CA 1.031 62.589 61.300 0.429 0.000 1.413 213 I CB -0.036 38.136 38.000 0.285 0.000 1.073 213 I HN 0.117 nan 8.210 nan 0.000 0.424 214 L N -0.950 120.399 121.223 0.211 0.000 2.607 214 L HA 0.138 4.482 4.340 0.007 0.000 0.228 214 L C 0.853 177.772 176.870 0.081 0.000 1.123 214 L CA 0.028 54.968 54.840 0.167 0.000 0.890 214 L CB 0.188 42.329 42.059 0.135 0.000 1.103 214 L HN -0.006 nan 8.230 nan 0.000 0.468 215 S N -0.168 115.555 115.700 0.038 0.000 2.498 215 S HA 0.278 4.752 4.470 0.007 0.000 0.324 215 S C 0.773 175.305 174.600 -0.113 0.000 1.071 215 S CA -0.570 57.535 58.200 -0.158 0.000 1.113 215 S CB 1.381 64.220 63.200 -0.602 0.000 0.976 215 S HN 0.180 nan 8.310 nan 0.000 0.462 216 L N 6.685 127.845 121.223 -0.104 0.000 2.021 216 L HA -0.009 4.335 4.340 0.007 0.000 0.215 216 L C -0.929 175.893 176.870 -0.081 0.000 1.074 216 L CA 1.991 56.785 54.840 -0.077 0.000 0.760 216 L CB -0.708 41.309 42.059 -0.071 0.000 0.889 216 L HN 0.519 nan 8.230 nan 0.000 0.433 217 P HA -0.088 nan 4.420 nan 0.000 0.222 217 P C 1.482 178.765 177.300 -0.029 0.000 1.147 217 P CA 1.171 64.228 63.100 -0.070 0.000 0.790 217 P CB 0.089 31.741 31.700 -0.080 0.000 0.780 218 S N -1.099 114.601 115.700 -0.001 0.000 2.470 218 S HA 0.022 4.496 4.470 0.007 0.000 0.225 218 S C 1.836 176.495 174.600 0.098 0.000 1.006 218 S CA 0.355 58.640 58.200 0.142 0.000 0.934 218 S CB -0.315 63.104 63.200 0.365 0.000 0.778 218 S HN 0.049 nan 8.310 nan 0.000 0.517 219 R N 2.015 122.486 120.500 -0.049 0.000 2.096 219 R HA 0.001 4.345 4.340 0.007 0.000 0.235 219 R C 2.307 178.350 176.300 -0.428 0.000 1.127 219 R CA 1.424 57.348 56.100 -0.294 0.000 0.968 219 R CB -1.199 28.992 30.300 -0.181 0.000 0.861 219 R HN 0.556 nan 8.270 nan 0.000 0.440 220 S N -0.140 115.419 115.700 -0.236 0.000 2.607 220 S HA 0.075 4.549 4.470 0.007 0.000 0.224 220 S C 1.628 176.097 174.600 -0.218 0.000 0.969 220 S CA 0.245 58.316 58.200 -0.216 0.000 0.927 220 S CB -0.177 62.958 63.200 -0.108 0.000 0.772 220 S HN 0.222 nan 8.310 nan 0.000 0.533 221 L N 0.263 121.372 121.223 -0.189 0.000 2.693 221 L HA 0.482 4.826 4.340 0.007 0.000 0.235 221 L C 0.032 176.912 176.870 0.016 0.000 1.127 221 L CA -0.285 54.534 54.840 -0.036 0.000 0.914 221 L CB 0.001 42.107 42.059 0.078 0.000 1.193 221 L HN 0.539 nan 8.230 nan 0.000 0.502 222 F N -4.268 115.493 119.950 -0.316 0.000 2.741 222 F HA 0.449 4.980 4.527 0.006 0.000 0.313 222 F C 0.391 175.868 175.800 -0.537 0.000 1.153 222 F CA -0.977 56.827 58.000 -0.326 0.000 0.931 222 F CB 0.825 39.775 39.000 -0.083 0.000 1.335 222 F HN -0.149 nan 8.300 nan 0.000 0.460 223 H N -0.599 118.546 119.070 0.126 0.000 3.091 223 H HA 0.447 5.007 4.556 0.006 0.000 0.249 223 H C -0.055 175.335 175.328 0.103 0.000 0.985 223 H CA -0.037 56.008 56.048 -0.005 0.000 1.177 223 H CB 1.020 30.775 29.762 -0.012 0.000 1.456 223 H HN 0.432 nan 8.280 nan 0.000 0.467 224 R N 0.170 120.898 120.500 0.380 0.000 2.799 224 R HA 0.717 5.061 4.340 0.007 0.000 0.270 224 R C -1.452 175.099 176.300 0.418 0.000 1.010 224 R CA -0.623 55.658 56.100 0.302 0.000 0.916 224 R CB 2.919 33.227 30.300 0.014 0.000 1.228 224 R HN 0.163 nan 8.270 nan 0.000 0.469 225 A N 0.959 124.030 122.820 0.418 0.000 2.549 225 A HA 0.659 4.983 4.320 0.007 0.000 0.297 225 A C -1.601 176.121 177.584 0.230 0.000 1.061 225 A CA -0.578 51.625 52.037 0.277 0.000 0.690 225 A CB 1.920 21.034 19.000 0.190 0.000 1.287 225 A HN 0.312 nan 8.150 nan 0.000 0.402 226 V N 2.137 122.146 119.914 0.158 0.000 2.483 226 V HA 0.480 4.604 4.120 0.007 0.000 0.297 226 V C -1.209 174.960 176.094 0.125 0.000 1.027 226 V CA -0.292 62.049 62.300 0.069 0.000 0.855 226 V CB 1.272 33.158 31.823 0.105 0.000 0.995 226 V HN 0.683 nan 8.190 nan 0.000 0.424 227 L N 5.084 126.352 121.223 0.076 0.000 2.295 227 L HA 0.508 4.852 4.340 0.007 0.000 0.281 227 L C 0.157 177.119 176.870 0.153 0.000 1.018 227 L CA 0.090 54.979 54.840 0.081 0.000 0.841 227 L CB 1.413 43.478 42.059 0.011 0.000 1.218 227 L HN 0.610 nan 8.230 nan 0.000 0.424 228 Q N 2.189 122.130 119.800 0.236 0.000 2.421 228 Q HA 0.385 4.729 4.340 0.007 0.000 0.242 228 Q C 0.118 176.258 176.000 0.234 0.000 1.024 228 Q CA -0.339 55.670 55.803 0.344 0.000 0.891 228 Q CB 0.885 29.908 28.738 0.476 0.000 1.222 228 Q HN 0.679 nan 8.270 nan 0.000 0.483 229 S N 0.903 116.724 115.700 0.201 0.000 3.748 229 S HA -0.145 4.329 4.470 0.007 0.000 0.329 229 S C -0.036 174.753 174.600 0.315 0.000 1.104 229 S CA 0.475 58.820 58.200 0.242 0.000 0.954 229 S CB -1.121 62.245 63.200 0.276 0.000 0.910 229 S HN 0.959 nan 8.310 nan 0.000 0.494 230 G N -0.401 108.538 108.800 0.231 0.000 2.579 230 G HA2 0.685 4.649 3.960 0.007 0.000 0.292 230 G HA3 0.685 4.649 3.960 0.007 0.000 0.292 230 G C -0.928 174.032 174.900 0.099 0.000 1.484 230 G CA 0.305 45.586 45.100 0.303 0.000 0.813 230 G HN 1.006 nan 8.290 nan 0.000 0.515 231 T N -1.574 112.976 114.554 -0.007 0.000 2.853 231 T HA 0.734 5.088 4.350 0.007 0.000 0.311 231 T C -2.457 172.097 174.700 -0.244 0.000 1.307 231 T CA -1.212 60.815 62.100 -0.123 0.000 1.019 231 T CB 2.943 71.727 68.868 -0.140 0.000 1.264 231 T HN 0.290 nan 8.240 nan 0.000 0.497 232 P HA 0.019 nan 4.420 nan 0.000 0.221 232 P C 0.232 177.380 177.300 -0.254 0.000 1.155 232 P CA 0.531 63.507 63.100 -0.207 0.000 0.812 232 P CB -0.108 31.525 31.700 -0.111 0.000 0.801 233 N N 0.940 119.511 118.700 -0.215 0.000 2.399 233 N HA 0.291 5.035 4.740 0.007 0.000 0.250 233 N C 0.791 176.114 175.510 -0.312 0.000 1.272 233 N CA 0.711 53.635 53.050 -0.209 0.000 0.928 233 N CB 0.228 38.630 38.487 -0.142 0.000 1.158 233 N HN 0.222 nan 8.380 nan 0.000 0.463 234 G N -0.376 108.251 108.800 -0.288 0.000 2.462 234 G HA2 -0.094 3.870 3.960 0.007 0.000 0.685 234 G HA3 -0.094 3.870 3.960 0.007 0.000 0.685 234 G C -2.290 172.381 174.900 -0.382 0.000 1.295 234 G CA -0.272 44.607 45.100 -0.367 0.000 0.941 234 G HN 0.511 nan 8.290 nan 0.000 0.554 235 P HA 0.119 nan 4.420 nan 0.000 0.231 235 P C 1.443 178.669 177.300 -0.123 0.000 1.168 235 P CA 1.903 64.863 63.100 -0.234 0.000 0.779 235 P CB -0.014 31.513 31.700 -0.288 0.000 0.844 236 W N -1.316 119.885 121.300 -0.164 0.000 2.901 236 W HA 0.550 5.214 4.660 0.005 0.000 0.281 236 W C 1.153 177.748 176.519 0.126 0.000 1.167 236 W CA 0.439 57.774 57.345 -0.017 0.000 1.506 236 W CB -0.815 28.677 29.460 0.053 0.000 0.985 236 W HN -0.176 nan 8.180 nan 0.000 0.590 237 A N 1.928 124.387 122.820 -0.601 0.000 2.119 237 A HA 0.115 4.439 4.320 0.007 0.000 0.216 237 A C 1.143 178.568 177.584 -0.265 0.000 1.152 237 A CA 1.846 53.602 52.037 -0.469 0.000 0.708 237 A CB -0.796 17.698 19.000 -0.843 0.000 0.805 237 A HN 0.264 nan 8.150 nan 0.000 0.460 238 T N -3.432 110.990 114.554 -0.220 0.000 2.864 238 T HA 0.606 4.960 4.350 0.007 0.000 0.299 238 T C -0.684 173.948 174.700 -0.114 0.000 1.166 238 T CA -0.116 61.872 62.100 -0.187 0.000 1.007 238 T CB 1.432 70.199 68.868 -0.168 0.000 1.219 238 T HN 0.898 nan 8.240 nan 0.000 0.506 239 V N -1.029 118.829 119.914 -0.093 0.000 3.040 239 V HA 0.910 5.034 4.120 0.007 0.000 0.312 239 V C 0.367 176.433 176.094 -0.048 0.000 1.115 239 V CA -0.783 61.480 62.300 -0.062 0.000 0.998 239 V CB 1.316 33.106 31.823 -0.054 0.000 1.042 239 V HN 1.400 nan 8.190 nan 0.000 0.433 240 S N 1.837 117.514 115.700 -0.038 0.000 2.589 240 S HA 0.548 5.022 4.470 0.007 0.000 0.265 240 S C 1.431 176.021 174.600 -0.016 0.000 1.342 240 S CA 0.140 58.325 58.200 -0.026 0.000 1.005 240 S CB 1.122 64.307 63.200 -0.025 0.000 0.909 240 S HN 1.952 nan 8.310 nan 0.000 0.555 241 A N 2.054 124.869 122.820 -0.008 0.000 1.883 241 A HA 0.094 4.418 4.320 0.007 0.000 0.217 241 A C 2.264 179.846 177.584 -0.003 0.000 1.186 241 A CA 1.856 53.894 52.037 0.001 0.000 0.624 241 A CB -1.935 17.068 19.000 0.005 0.000 0.822 241 A HN 1.195 nan 8.150 nan 0.000 0.444 242 G N -0.435 108.360 108.800 -0.008 0.000 2.446 242 G HA2 -0.300 3.664 3.960 0.007 0.000 0.217 242 G HA3 -0.300 3.664 3.960 0.007 0.000 0.217 242 G C 1.484 176.376 174.900 -0.014 0.000 1.168 242 G CA 1.501 46.594 45.100 -0.010 0.000 0.771 242 G HN 0.577 nan 8.290 nan 0.000 0.551 243 E N 0.980 121.167 120.200 -0.021 0.000 2.106 243 E HA 0.073 4.427 4.350 0.007 0.000 0.192 243 E C 2.660 179.241 176.600 -0.032 0.000 0.984 243 E CA 1.422 57.803 56.400 -0.032 0.000 0.806 243 E CB -0.595 29.081 29.700 -0.041 0.000 0.750 243 E HN 0.291 nan 8.360 nan 0.000 0.458 244 A N 0.856 123.666 122.820 -0.016 0.000 1.902 244 A HA -0.172 4.153 4.320 0.007 0.000 0.217 244 A C 2.291 179.894 177.584 0.032 0.000 1.181 244 A CA 1.715 53.759 52.037 0.011 0.000 0.623 244 A CB -0.616 18.406 19.000 0.037 0.000 0.818 244 A HN 0.277 nan 8.150 nan 0.000 0.443 245 R N -0.494 120.015 120.500 0.015 0.000 2.083 245 R HA -0.152 4.192 4.340 0.007 0.000 0.237 245 R C 2.447 178.754 176.300 0.011 0.000 1.137 245 R CA 1.723 57.830 56.100 0.012 0.000 0.951 245 R CB -0.323 29.978 30.300 0.001 0.000 0.851 245 R HN 0.527 nan 8.270 nan 0.000 0.434 246 R N 0.326 120.825 120.500 -0.001 0.000 2.073 246 R HA -0.129 4.215 4.340 0.007 0.000 0.234 246 R C 2.320 178.622 176.300 0.004 0.000 1.134 246 R CA 1.826 57.922 56.100 -0.006 0.000 0.952 246 R CB -0.102 30.187 30.300 -0.019 0.000 0.850 246 R HN 0.271 nan 8.270 nan 0.000 0.433 247 R N -0.211 120.284 120.500 -0.007 0.000 2.081 247 R HA -0.093 4.251 4.340 0.007 0.000 0.235 247 R C 2.356 178.748 176.300 0.154 0.000 1.131 247 R CA 1.381 57.476 56.100 -0.008 0.000 0.960 247 R CB -0.380 29.802 30.300 -0.197 0.000 0.856 247 R HN 0.255 nan 8.270 nan 0.000 0.436 248 A N 0.572 123.501 122.820 0.182 0.000 1.902 248 A HA -0.162 4.162 4.320 0.007 0.000 0.217 248 A C 2.181 179.801 177.584 0.060 0.000 1.181 248 A CA 2.013 54.146 52.037 0.161 0.000 0.623 248 A CB -0.790 18.245 19.000 0.059 0.000 0.818 248 A HN 0.298 nan 8.150 nan 0.000 0.443 249 T N 0.026 114.600 114.554 0.034 0.000 2.737 249 T HA -0.101 4.253 4.350 0.007 0.000 0.265 249 T C 1.846 176.555 174.700 0.015 0.000 1.038 249 T CA 1.368 63.472 62.100 0.007 0.000 1.144 249 T CB -0.393 68.474 68.868 -0.001 0.000 0.866 249 T HN 0.284 nan 8.240 nan 0.000 0.434 250 L N 1.234 122.475 121.223 0.030 0.000 2.012 250 L HA 0.028 4.372 4.340 0.007 0.000 0.210 250 L C 2.231 179.129 176.870 0.046 0.000 1.073 250 L CA 1.526 56.383 54.840 0.029 0.000 0.748 250 L CB -1.099 40.978 42.059 0.029 0.000 0.891 250 L HN 0.200 nan 8.230 nan 0.000 0.431 251 L N -0.232 121.055 121.223 0.106 0.000 2.012 251 L HA -0.161 4.183 4.340 0.007 0.000 0.210 251 L C 2.560 179.443 176.870 0.021 0.000 1.073 251 L CA 2.132 57.043 54.840 0.118 0.000 0.748 251 L CB -0.906 41.288 42.059 0.226 0.000 0.891 251 L HN 0.318 nan 8.230 nan 0.000 0.431 252 A N -0.373 122.448 122.820 0.000 0.000 1.903 252 A HA -0.342 3.982 4.320 0.007 0.000 0.219 252 A C 2.525 180.086 177.584 -0.037 0.000 1.191 252 A CA 2.344 54.364 52.037 -0.029 0.000 0.638 252 A CB -0.825 18.153 19.000 -0.037 0.000 0.823 252 A HN 0.535 nan 8.150 nan 0.000 0.451 253 R N -0.584 119.897 120.500 -0.032 0.000 2.081 253 R HA -0.065 4.279 4.340 0.007 0.000 0.235 253 R C 2.039 178.294 176.300 -0.075 0.000 1.131 253 R CA 1.525 57.600 56.100 -0.041 0.000 0.960 253 R CB -0.385 29.897 30.300 -0.029 0.000 0.856 253 R HN 0.577 nan 8.270 nan 0.000 0.436 254 L N 0.525 121.686 121.223 -0.104 0.000 2.191 254 L HA -0.105 4.239 4.340 0.007 0.000 0.212 254 L C 2.022 178.681 176.870 -0.351 0.000 1.103 254 L CA 0.842 55.549 54.840 -0.221 0.000 0.769 254 L CB -0.135 41.784 42.059 -0.234 0.000 0.908 254 L HN 0.209 nan 8.230 nan 0.000 0.438 255 V N -3.920 115.854 119.914 -0.233 0.000 3.542 255 V HA 0.489 4.613 4.120 0.007 0.000 0.296 255 V C 1.148 177.198 176.094 -0.073 0.000 1.364 255 V CA 0.350 62.544 62.300 -0.175 0.000 1.118 255 V CB -0.134 31.648 31.823 -0.067 0.000 0.972 255 V HN 0.458 nan 8.190 nan 0.000 0.430 256 G N -0.486 108.272 108.800 -0.070 0.000 2.134 256 G HA2 -0.216 3.748 3.960 0.007 0.000 0.209 256 G HA3 -0.216 3.748 3.960 0.007 0.000 0.209 256 G C -0.007 174.880 174.900 -0.022 0.000 0.993 256 G CA -0.101 44.978 45.100 -0.035 0.000 0.669 256 G HN 0.656 nan 8.290 nan 0.000 0.519 257 c N 2.463 121.048 118.600 -0.026 0.000 2.248 257 c HA 0.520 5.094 4.570 0.007 0.000 0.320 257 c C -1.696 172.382 174.090 -0.020 0.000 1.065 257 c CA -1.710 54.609 56.329 -0.016 0.000 1.558 257 c CB 0.184 42.686 42.510 -0.013 0.000 1.787 257 c HN 0.397 nan 8.230 nan 0.000 0.426 258 P HA 0.233 nan 4.420 nan 0.000 0.275 258 P C -1.836 175.455 177.300 -0.014 0.000 1.227 258 P CA -0.682 62.408 63.100 -0.017 0.000 0.781 258 P CB -0.066 31.625 31.700 -0.014 0.000 0.906 266 D N 1.505 121.899 120.400 -0.010 0.000 2.194 266 D HA -0.037 4.607 4.640 0.007 0.000 0.204 266 D C 1.483 177.775 176.300 -0.013 0.000 0.964 266 D CA 1.413 55.403 54.000 -0.017 0.000 0.846 266 D CB 0.250 41.039 40.800 -0.017 0.000 0.962 266 D HN 0.540 nan 8.370 nan 0.000 0.490 267 T N 0.901 115.454 114.554 -0.002 0.000 2.622 267 T HA -0.173 4.181 4.350 0.007 0.000 0.266 267 T C 1.766 176.471 174.700 0.007 0.000 1.047 267 T CA 1.187 63.291 62.100 0.007 0.000 1.159 267 T CB -0.268 68.607 68.868 0.010 0.000 0.863 267 T HN 0.231 nan 8.240 nan 0.000 0.422 268 E N 0.283 120.486 120.200 0.004 0.000 2.136 268 E HA -0.193 4.161 4.350 0.007 0.000 0.202 268 E C 2.164 178.765 176.600 0.002 0.000 1.019 268 E CA 1.240 57.642 56.400 0.004 0.000 0.819 268 E CB -0.271 29.430 29.700 0.001 0.000 0.739 268 E HN 0.375 nan 8.360 nan 0.000 0.458 269 L N 0.326 121.543 121.223 -0.010 0.000 2.044 269 L HA -0.138 4.206 4.340 0.007 0.000 0.205 269 L C 2.261 179.115 176.870 -0.027 0.000 1.075 269 L CA 1.043 55.870 54.840 -0.022 0.000 0.747 269 L CB -0.062 41.974 42.059 -0.037 0.000 0.903 269 L HN 0.106 nan 8.230 nan 0.000 0.435 270 I N -0.050 120.500 120.570 -0.034 0.000 2.315 270 I HA -0.230 3.944 4.170 0.007 0.000 0.248 270 I C 2.727 178.892 176.117 0.080 0.000 1.117 270 I CA 0.968 62.253 61.300 -0.025 0.000 1.404 270 I CB -0.562 37.417 38.000 -0.035 0.000 1.071 270 I HN 0.312 nan 8.210 nan 0.000 0.419 271 A N -0.142 122.711 122.820 0.056 0.000 1.908 271 A HA -0.319 4.005 4.320 0.007 0.000 0.218 271 A C 2.536 180.158 177.584 0.063 0.000 1.181 271 A CA 2.170 54.245 52.037 0.063 0.000 0.627 271 A CB -1.383 17.640 19.000 0.039 0.000 0.818 271 A HN 0.628 nan 8.150 nan 0.000 0.445 272 c N -0.717 117.909 118.600 0.045 0.000 2.466 272 c HA 0.094 4.669 4.570 0.007 0.000 0.278 272 c C 2.566 176.692 174.090 0.059 0.000 1.288 272 c CA 0.888 57.240 56.329 0.038 0.000 1.722 272 c CB -1.564 40.957 42.510 0.018 0.000 2.017 272 c HN 0.582 nan 8.230 nan 0.000 0.488 273 L N 0.444 121.713 121.223 0.076 0.000 2.127 273 L HA -0.142 4.202 4.340 0.007 0.000 0.211 273 L C 2.918 179.919 176.870 0.219 0.000 1.089 273 L CA 1.483 56.408 54.840 0.142 0.000 0.757 273 L CB -0.631 41.503 42.059 0.124 0.000 0.899 273 L HN 0.380 nan 8.230 nan 0.000 0.434 274 R N -0.672 119.953 120.500 0.208 0.000 2.280 274 R HA -0.081 4.263 4.340 0.007 0.000 0.207 274 R C 2.057 178.388 176.300 0.052 0.000 1.043 274 R CA 1.518 57.691 56.100 0.122 0.000 1.006 274 R CB -0.162 30.204 30.300 0.110 0.000 0.885 274 R HN 0.496 nan 8.270 nan 0.000 0.467 275 T N -1.930 112.657 114.554 0.055 0.000 3.081 275 T HA 0.154 4.508 4.350 0.007 0.000 0.250 275 T C 0.886 175.604 174.700 0.030 0.000 1.100 275 T CA -0.244 61.876 62.100 0.033 0.000 1.038 275 T CB 0.214 69.100 68.868 0.030 0.000 0.962 275 T HN -0.157 nan 8.240 nan 0.000 0.516 276 R N 2.821 123.346 120.500 0.041 0.000 2.490 276 R HA 0.385 4.729 4.340 0.007 0.000 0.280 276 R C -2.751 173.565 176.300 0.026 0.000 1.077 276 R CA -2.547 53.577 56.100 0.040 0.000 1.065 276 R CB -0.164 30.168 30.300 0.053 0.000 1.003 276 R HN 0.250 nan 8.270 nan 0.000 0.470 277 P HA 0.042 nan 4.420 nan 0.000 0.268 277 P C 0.299 177.584 177.300 -0.026 0.000 1.204 277 P CA 0.091 63.186 63.100 -0.007 0.000 0.768 277 P CB 0.624 32.328 31.700 0.007 0.000 0.842 278 A N 2.972 125.720 122.820 -0.120 0.000 1.940 278 A HA -0.317 4.007 4.320 0.007 0.000 0.221 278 A C 2.176 179.642 177.584 -0.197 0.000 1.190 278 A CA 2.141 54.049 52.037 -0.215 0.000 0.647 278 A CB -1.226 17.206 19.000 -0.946 0.000 0.821 278 A HN 0.540 nan 8.150 nan 0.000 0.457 279 Q N -0.164 119.532 119.800 -0.174 0.000 2.079 279 Q HA -0.146 4.198 4.340 0.007 0.000 0.200 279 Q C 1.420 177.487 176.000 0.113 0.000 0.974 279 Q CA 1.969 57.800 55.803 0.047 0.000 0.840 279 Q CB -0.365 28.431 28.738 0.098 0.000 0.898 279 Q HN 0.643 nan 8.270 nan 0.000 0.430 280 D N -0.398 120.065 120.400 0.106 0.000 2.149 280 D HA -0.153 4.491 4.640 0.007 0.000 0.198 280 D C 1.800 178.252 176.300 0.253 0.000 0.990 280 D CA 1.036 55.148 54.000 0.187 0.000 0.839 280 D CB -0.134 40.767 40.800 0.167 0.000 0.948 280 D HN 0.307 nan 8.370 nan 0.000 0.460 281 L N 0.083 121.401 121.223 0.159 0.000 2.027 281 L HA -0.138 4.206 4.340 0.007 0.000 0.206 281 L C 2.558 179.553 176.870 0.208 0.000 1.074 281 L CA 0.657 55.566 54.840 0.114 0.000 0.745 281 L CB -0.607 41.378 42.059 -0.124 0.000 0.898 281 L HN -0.051 nan 8.230 nan 0.000 0.433 282 V N -0.142 119.936 119.914 0.274 0.000 2.287 282 V HA -0.297 3.827 4.120 0.007 0.000 0.248 282 V C 1.918 178.235 176.094 0.371 0.000 1.053 282 V CA 1.927 64.457 62.300 0.383 0.000 1.027 282 V CB -0.617 31.466 31.823 0.434 0.000 0.646 282 V HN 0.422 nan 8.190 nan 0.000 0.447 283 D N -1.196 119.346 120.400 0.237 0.000 2.354 283 D HA -0.127 4.517 4.640 0.007 0.000 0.216 283 D C 1.675 177.999 176.300 0.040 0.000 0.970 283 D CA 1.279 55.352 54.000 0.122 0.000 0.905 283 D CB -0.161 40.620 40.800 -0.031 0.000 0.903 283 D HN 0.673 nan 8.370 nan 0.000 0.508 284 H N -1.614 117.671 119.070 0.358 0.000 3.440 284 H HA 0.091 4.651 4.556 0.007 0.000 0.259 284 H C 1.667 177.218 175.328 0.371 0.000 1.120 284 H CA 0.122 56.423 56.048 0.423 0.000 1.191 284 H CB 0.621 30.565 29.762 0.304 0.000 1.537 284 H HN 0.145 nan 8.280 nan 0.000 0.547 285 E N 0.606 121.071 120.200 0.442 0.000 2.171 285 E HA -0.267 4.087 4.350 0.007 0.000 0.197 285 E C 1.510 178.336 176.600 0.378 0.000 0.997 285 E CA 1.274 57.966 56.400 0.488 0.000 0.810 285 E CB -0.307 29.693 29.700 0.500 0.000 0.738 285 E HN 0.521 nan 8.360 nan 0.000 0.467 286 W N 2.137 123.415 121.300 -0.037 0.000 2.425 286 W HA -0.073 4.591 4.660 0.006 0.000 0.277 286 W C 1.562 177.960 176.519 -0.201 0.000 1.231 286 W CA 1.216 58.425 57.345 -0.226 0.000 1.248 286 W CB -0.220 28.988 29.460 -0.420 0.000 1.117 286 W HN 0.208 nan 8.180 nan 0.000 0.568 287 H N -0.336 118.781 119.070 0.079 0.000 2.559 287 H HA -0.008 4.552 4.556 0.007 0.000 0.273 287 H C 2.002 177.290 175.328 -0.066 0.000 1.000 287 H CA 1.503 57.506 56.048 -0.076 0.000 1.195 287 H CB -0.876 28.915 29.762 0.048 0.000 1.368 287 H HN 0.264 nan 8.280 nan 0.000 0.592 288 V N -1.662 118.288 119.914 0.060 0.000 3.647 288 V HA 0.190 4.314 4.120 0.007 0.000 0.279 288 V C 0.785 176.831 176.094 -0.079 0.000 1.314 288 V CA -0.069 62.234 62.300 0.005 0.000 1.125 288 V CB -0.627 31.215 31.823 0.032 0.000 0.907 288 V HN -0.007 nan 8.190 nan 0.000 0.434 289 L N 2.148 123.309 121.223 -0.105 0.000 2.416 289 L HA 0.310 4.654 4.340 0.007 0.000 0.272 289 L C -0.439 176.374 176.870 -0.095 0.000 1.161 289 L CA -1.236 53.540 54.840 -0.106 0.000 0.845 289 L CB 0.843 42.842 42.059 -0.100 0.000 1.119 289 L HN 0.116 nan 8.230 nan 0.000 0.464 290 P HA -0.097 nan 4.420 nan 0.000 0.218 290 P C -0.347 176.918 177.300 -0.059 0.000 1.149 290 P CA 1.146 64.210 63.100 -0.061 0.000 0.817 290 P CB 0.367 32.037 31.700 -0.050 0.000 0.785 291 Q N -1.284 118.480 119.800 -0.061 0.000 2.495 291 Q HA 0.353 4.697 4.340 0.007 0.000 0.287 291 Q C -0.644 175.320 176.000 -0.060 0.000 1.078 291 Q CA -0.815 54.956 55.803 -0.053 0.000 0.793 291 Q CB 1.188 29.906 28.738 -0.034 0.000 1.459 291 Q HN -0.046 nan 8.270 nan 0.000 0.422 292 E N 0.953 121.122 120.200 -0.051 0.000 2.465 292 E HA 0.295 4.649 4.350 0.007 0.000 0.260 292 E C -0.953 175.645 176.600 -0.003 0.000 0.980 292 E CA 0.265 56.648 56.400 -0.028 0.000 0.927 292 E CB 0.319 30.012 29.700 -0.012 0.000 0.934 292 E HN 0.604 nan 8.360 nan 0.000 0.459 293 S N 3.415 119.129 115.700 0.022 0.000 2.595 293 S HA 0.538 5.012 4.470 0.007 0.000 0.270 293 S C -0.648 173.967 174.600 0.025 0.000 1.145 293 S CA -1.009 57.198 58.200 0.013 0.000 0.825 293 S CB 0.422 63.613 63.200 -0.015 0.000 1.107 293 S HN 0.576 nan 8.310 nan 0.000 0.461 294 I N -2.458 118.114 120.570 0.003 0.000 2.846 294 I HA 0.850 5.024 4.170 0.007 0.000 0.307 294 I C -0.145 175.934 176.117 -0.064 0.000 1.053 294 I CA -1.130 60.167 61.300 -0.006 0.000 1.050 294 I CB 1.221 39.254 38.000 0.055 0.000 1.239 294 I HN 0.823 nan 8.210 nan 0.000 0.439 295 F N 2.018 121.743 119.950 -0.374 0.000 3.091 295 F HA -0.181 4.350 4.527 0.007 0.000 0.288 295 F C -0.400 174.869 175.800 -0.886 0.000 0.907 295 F CA 0.570 58.117 58.000 -0.756 0.000 1.028 295 F CB -0.625 37.838 39.000 -0.896 0.000 1.022 295 F HN 0.600 nan 8.300 nan 0.000 0.665 296 R N 0.498 120.556 120.500 -0.737 0.000 2.686 296 R HA 0.665 5.009 4.340 0.007 0.000 0.286 296 R C -0.919 174.895 176.300 -0.811 0.000 0.969 296 R CA -0.590 55.143 56.100 -0.612 0.000 0.898 296 R CB 1.404 31.582 30.300 -0.203 0.000 1.183 296 R HN 0.023 nan 8.270 nan 0.000 0.456 297 F N -0.774 119.266 119.950 0.149 0.000 2.563 297 F HA 0.350 4.880 4.527 0.006 0.000 0.316 297 F C 1.485 177.315 175.800 0.050 0.000 1.076 297 F CA -0.824 57.246 58.000 0.116 0.000 0.921 297 F CB 1.861 41.006 39.000 0.242 0.000 1.209 297 F HN 0.361 nan 8.300 nan 0.000 0.462 298 S N 0.666 116.463 115.700 0.161 0.000 2.368 298 S HA -0.001 4.473 4.470 0.007 0.000 0.224 298 S C -0.015 174.270 174.600 -0.524 0.000 1.029 298 S CA 1.133 59.212 58.200 -0.203 0.000 0.988 298 S CB -0.209 62.886 63.200 -0.175 0.000 0.838 298 S HN 0.368 nan 8.310 nan 0.000 0.462 299 F N 1.612 121.711 119.950 0.248 0.000 2.430 299 F HA 0.527 5.058 4.527 0.007 0.000 0.362 299 F C -0.069 175.829 175.800 0.162 0.000 1.103 299 F CA -1.005 57.135 58.000 0.234 0.000 1.045 299 F CB 1.238 40.414 39.000 0.293 0.000 1.276 299 F HN -0.112 nan 8.300 nan 0.000 0.444 300 V N 0.541 120.481 119.914 0.043 0.000 3.155 300 V HA 0.771 4.895 4.120 0.007 0.000 0.313 300 V C -2.823 172.948 176.094 -0.537 0.000 1.162 300 V CA -3.411 58.596 62.300 -0.487 0.000 1.048 300 V CB 1.975 33.677 31.823 -0.203 0.000 1.092 300 V HN 0.232 nan 8.190 nan 0.000 0.447 301 P HA 0.092 nan 4.420 nan 0.000 0.263 301 P C -0.606 176.572 177.300 -0.202 0.000 1.175 301 P CA 0.583 63.421 63.100 -0.437 0.000 0.761 301 P CB 0.472 31.838 31.700 -0.557 0.000 0.794 302 V N 5.018 124.891 119.914 -0.069 0.000 2.630 302 V HA 0.230 4.354 4.120 0.007 0.000 0.305 302 V C -0.260 175.824 176.094 -0.016 0.000 1.046 302 V CA -0.859 61.422 62.300 -0.031 0.000 0.934 302 V CB 2.091 33.925 31.823 0.019 0.000 1.003 302 V HN 0.128 nan 8.190 nan 0.000 0.451 303 V N 7.123 127.028 119.914 -0.015 0.000 2.341 303 V HA 0.166 4.290 4.120 0.007 0.000 0.248 303 V C 0.760 176.868 176.094 0.023 0.000 1.107 303 V CA 0.331 62.635 62.300 0.006 0.000 1.069 303 V CB 0.150 31.968 31.823 -0.008 0.000 1.177 303 V HN 1.057 nan 8.190 nan 0.000 0.492 304 D N 2.712 123.141 120.400 0.048 0.000 2.360 304 D HA 0.114 4.758 4.640 0.007 0.000 0.210 304 D C 1.525 177.855 176.300 0.049 0.000 1.047 304 D CA 0.621 54.652 54.000 0.052 0.000 0.854 304 D CB 0.368 41.211 40.800 0.072 0.000 0.936 304 D HN 0.666 nan 8.370 nan 0.000 0.514 305 G N 0.727 109.556 108.800 0.048 0.000 2.153 305 G HA2 -0.323 3.641 3.960 0.007 0.000 0.252 305 G HA3 -0.323 3.641 3.960 0.007 0.000 0.252 305 G C 0.306 175.233 174.900 0.045 0.000 0.994 305 G CA 0.832 45.955 45.100 0.038 0.000 0.698 305 G HN 0.552 nan 8.290 nan 0.000 0.521 306 D N -1.817 118.627 120.400 0.073 0.000 2.973 306 D HA 0.216 4.860 4.640 0.007 0.000 0.187 306 D C 1.661 178.023 176.300 0.103 0.000 1.467 306 D CA 0.348 54.396 54.000 0.080 0.000 1.515 306 D CB -0.683 40.175 40.800 0.096 0.000 1.182 306 D HN 0.064 nan 8.370 nan 0.000 0.213 307 F N 1.184 121.151 119.950 0.028 0.000 2.126 307 F HA 0.190 4.720 4.527 0.006 0.000 0.299 307 F C 0.543 176.354 175.800 0.018 0.000 1.096 307 F CA 1.205 59.223 58.000 0.031 0.000 1.255 307 F CB 0.184 39.205 39.000 0.034 0.000 0.997 307 F HN -0.011 nan 8.300 nan 0.000 0.479 308 L N 0.648 122.046 121.223 0.290 0.000 2.295 308 L HA 0.200 4.544 4.340 0.007 0.000 0.281 308 L C 1.278 178.196 176.870 0.081 0.000 1.018 308 L CA -0.281 54.658 54.840 0.165 0.000 0.841 308 L CB 1.463 43.608 42.059 0.144 0.000 1.218 308 L HN 0.021 nan 8.230 nan 0.000 0.424 309 S N 0.187 115.913 115.700 0.044 0.000 2.515 309 S HA 0.021 4.495 4.470 0.007 0.000 0.231 309 S C 0.377 174.989 174.600 0.020 0.000 0.987 309 S CA 0.307 58.521 58.200 0.024 0.000 0.936 309 S CB 0.033 63.236 63.200 0.005 0.000 0.766 309 S HN 0.724 nan 8.310 nan 0.000 0.528 310 D N 0.126 120.540 120.400 0.024 0.000 2.764 310 D HA 0.217 4.861 4.640 0.007 0.000 0.293 310 D C -0.955 175.352 176.300 0.011 0.000 1.287 310 D CA 0.016 54.024 54.000 0.013 0.000 0.768 310 D CB 1.168 41.974 40.800 0.009 0.000 1.288 310 D HN 0.186 nan 8.370 nan 0.000 0.426 311 T N -0.476 114.077 114.554 -0.002 0.000 2.939 311 T HA 0.178 4.532 4.350 0.007 0.000 0.319 311 T C -1.783 172.910 174.700 -0.011 0.000 1.082 311 T CA -0.538 61.552 62.100 -0.017 0.000 1.133 311 T CB 0.793 69.646 68.868 -0.026 0.000 1.019 311 T HN 0.127 nan 8.240 nan 0.000 0.548 312 P HA -0.088 nan 4.420 nan 0.000 0.219 312 P C 1.510 178.801 177.300 -0.016 0.000 1.146 312 P CA 0.815 63.902 63.100 -0.023 0.000 0.808 312 P CB 0.106 31.764 31.700 -0.070 0.000 0.779 313 E N -0.375 119.807 120.200 -0.030 0.000 2.051 313 E HA -0.187 4.167 4.350 0.007 0.000 0.192 313 E C 1.922 178.527 176.600 0.007 0.000 0.991 313 E CA 1.313 57.701 56.400 -0.020 0.000 0.799 313 E CB -0.374 29.308 29.700 -0.031 0.000 0.748 313 E HN 0.074 nan 8.360 nan 0.000 0.449 314 A N 1.251 124.075 122.820 0.007 0.000 1.858 314 A HA -0.163 4.161 4.320 0.007 0.000 0.216 314 A C 2.284 179.891 177.584 0.038 0.000 1.190 314 A CA 1.228 53.275 52.037 0.017 0.000 0.617 314 A CB -0.780 18.225 19.000 0.007 0.000 0.827 314 A HN 0.256 nan 8.150 nan 0.000 0.443 315 L N -0.019 121.234 121.223 0.050 0.000 2.046 315 L HA -0.192 4.152 4.340 0.007 0.000 0.208 315 L C 2.626 179.604 176.870 0.180 0.000 1.077 315 L CA 1.733 56.625 54.840 0.087 0.000 0.747 315 L CB -0.779 41.334 42.059 0.091 0.000 0.896 315 L HN 0.694 nan 8.230 nan 0.000 0.432 316 I N -2.594 118.082 120.570 0.176 0.000 2.493 316 I HA -0.159 4.015 4.170 0.007 0.000 0.254 316 I C 1.953 178.204 176.117 0.224 0.000 1.160 316 I CA 1.379 62.826 61.300 0.245 0.000 1.445 316 I CB -0.428 37.613 38.000 0.067 0.000 1.086 316 I HN 0.173 nan 8.210 nan 0.000 0.433 317 N N 1.269 120.041 118.700 0.120 0.000 2.331 317 N HA -0.100 4.644 4.740 0.007 0.000 0.180 317 N C 1.735 177.290 175.510 0.076 0.000 1.019 317 N CA 2.003 55.106 53.050 0.088 0.000 0.881 317 N CB -0.287 38.229 38.487 0.048 0.000 0.972 317 N HN 0.709 nan 8.380 nan 0.000 0.435 318 T N -4.207 110.382 114.554 0.057 0.000 3.003 318 T HA 0.315 4.669 4.350 0.007 0.000 0.261 318 T C 0.949 175.600 174.700 -0.082 0.000 1.003 318 T CA -0.383 61.715 62.100 -0.003 0.000 0.917 318 T CB 0.069 68.928 68.868 -0.014 0.000 1.084 318 T HN 0.042 nan 8.240 nan 0.000 0.522 319 G N 1.181 109.905 108.800 -0.128 0.000 2.483 319 G HA2 0.398 4.362 3.960 0.007 0.000 0.248 319 G HA3 0.398 4.362 3.960 0.007 0.000 0.248 319 G C -0.968 173.473 174.900 -0.766 0.000 1.248 319 G CA -0.366 44.377 45.100 -0.595 0.000 0.838 319 G HN 0.305 nan 8.290 nan 0.000 0.566 320 D N 0.486 120.440 120.400 -0.744 0.000 2.317 320 D HA 0.360 5.004 4.640 0.007 0.000 0.234 320 D C -0.378 175.547 176.300 -0.624 0.000 1.112 320 D CA -0.652 53.060 54.000 -0.481 0.000 0.840 320 D CB 0.675 41.323 40.800 -0.252 0.000 1.078 320 D HN 0.108 nan 8.370 nan 0.000 0.486 321 F N 1.829 121.786 119.950 0.012 0.000 2.791 321 F HA 0.222 4.753 4.527 0.007 0.000 0.316 321 F C 1.953 177.765 175.800 0.020 0.000 1.134 321 F CA -0.375 57.636 58.000 0.019 0.000 1.222 321 F CB 0.184 39.203 39.000 0.031 0.000 1.034 321 F HN 0.360 nan 8.300 nan 0.000 0.516 322 Q N 0.820 120.688 119.800 0.114 0.000 2.096 322 Q HA -0.212 4.132 4.340 0.007 0.000 0.204 322 Q C 1.648 177.694 176.000 0.078 0.000 0.982 322 Q CA 1.911 57.763 55.803 0.081 0.000 0.850 322 Q CB -0.197 28.561 28.738 0.034 0.000 0.901 322 Q HN 0.464 nan 8.270 nan 0.000 0.422 323 D N -0.127 120.313 120.400 0.067 0.000 2.378 323 D HA -0.081 4.563 4.640 0.007 0.000 0.227 323 D C 0.294 176.639 176.300 0.076 0.000 1.012 323 D CA 0.210 54.241 54.000 0.053 0.000 0.905 323 D CB -0.051 40.763 40.800 0.023 0.000 0.895 323 D HN 0.078 nan 8.370 nan 0.000 0.532 324 L N 0.496 121.792 121.223 0.121 0.000 2.317 324 L HA 0.378 4.722 4.340 0.007 0.000 0.281 324 L C -0.944 176.012 176.870 0.143 0.000 1.024 324 L CA -0.388 54.538 54.840 0.144 0.000 0.810 324 L CB 1.782 43.963 42.059 0.205 0.000 1.240 324 L HN -0.181 nan 8.230 nan 0.000 0.427 325 Q N 3.868 123.770 119.800 0.171 0.000 2.321 325 Q HA 0.711 5.055 4.340 0.007 0.000 0.270 325 Q C -1.571 174.691 176.000 0.437 0.000 1.032 325 Q CA -0.661 55.289 55.803 0.245 0.000 0.784 325 Q CB 2.761 31.590 28.738 0.152 0.000 1.264 325 Q HN 0.476 nan 8.270 nan 0.000 0.448 326 V N 3.013 123.154 119.914 0.379 0.000 2.686 326 V HA 0.439 4.563 4.120 0.007 0.000 0.306 326 V C -1.319 174.730 176.094 -0.075 0.000 1.065 326 V CA -0.832 61.587 62.300 0.198 0.000 0.894 326 V CB 2.039 33.892 31.823 0.051 0.000 1.004 326 V HN 0.603 nan 8.190 nan 0.000 0.424 327 L N 7.402 128.355 121.223 -0.449 0.000 2.313 327 L HA 0.914 5.258 4.340 0.007 0.000 0.283 327 L C -0.434 176.299 176.870 -0.229 0.000 1.013 327 L CA -0.043 54.447 54.840 -0.582 0.000 0.816 327 L CB 1.609 42.865 42.059 -1.338 0.000 1.236 327 L HN 0.610 nan 8.230 nan 0.000 0.419 328 V N 2.067 121.923 119.914 -0.097 0.000 3.102 328 V HA 1.140 5.264 4.120 0.007 0.000 0.312 328 V C -0.201 175.686 176.094 -0.345 0.000 1.135 328 V CA 0.189 62.423 62.300 -0.110 0.000 1.022 328 V CB 1.267 32.994 31.823 -0.161 0.000 1.056 328 V HN 1.181 nan 8.190 nan 0.000 0.436 329 G N 0.228 108.705 108.800 -0.538 0.000 2.320 329 G HA2 0.692 4.656 3.960 0.007 0.000 0.296 329 G HA3 0.692 4.656 3.960 0.007 0.000 0.296 329 G C -1.249 173.339 174.900 -0.519 0.000 1.306 329 G CA 0.192 44.604 45.100 -1.146 0.000 0.836 329 G HN 2.164 nan 8.290 nan 0.000 0.517 330 V N -2.126 117.596 119.914 -0.320 0.000 3.049 330 V HA 0.917 5.041 4.120 0.007 0.000 0.309 330 V C 0.456 176.757 176.094 0.345 0.000 1.148 330 V CA -0.283 62.072 62.300 0.092 0.000 0.990 330 V CB 1.099 32.946 31.823 0.039 0.000 1.039 330 V HN 2.011 nan 8.190 nan 0.000 0.430 331 V N 0.582 120.721 119.914 0.374 0.000 3.295 331 V HA 0.540 4.664 4.120 0.007 0.000 0.308 331 V C 1.394 177.684 176.094 0.327 0.000 1.068 331 V CA 0.058 62.625 62.300 0.445 0.000 1.062 331 V CB 1.005 33.083 31.823 0.425 0.000 1.162 331 V HN 1.066 nan 8.190 nan 0.000 0.456 332 K N -0.594 119.990 120.400 0.306 0.000 2.155 332 K HA 0.012 4.336 4.320 0.007 0.000 0.203 332 K C 0.127 176.844 176.600 0.196 0.000 1.052 332 K CA 1.431 57.850 56.287 0.221 0.000 0.948 332 K CB 0.109 32.717 32.500 0.179 0.000 0.728 332 K HN 0.895 nan 8.250 nan 0.000 0.448 333 D N 1.076 121.599 120.400 0.204 0.000 2.443 333 D HA 0.035 4.679 4.640 0.007 0.000 0.281 333 D C -0.059 176.359 176.300 0.196 0.000 1.210 333 D CA -0.074 54.032 54.000 0.176 0.000 0.875 333 D CB 1.470 42.355 40.800 0.141 0.000 1.125 333 D HN 0.087 nan 8.370 nan 0.000 0.503 334 E N 0.594 120.917 120.200 0.206 0.000 2.204 334 E HA -0.096 4.258 4.350 0.007 0.000 0.195 334 E C 1.879 178.606 176.600 0.212 0.000 0.990 334 E CA 0.588 57.132 56.400 0.240 0.000 0.821 334 E CB 0.301 30.114 29.700 0.188 0.000 0.750 334 E HN 0.479 nan 8.360 nan 0.000 0.477 335 G N 1.041 109.935 108.800 0.157 0.000 2.545 335 G HA2 -0.159 3.805 3.960 0.007 0.000 0.212 335 G HA3 -0.159 3.805 3.960 0.007 0.000 0.212 335 G C 1.728 176.746 174.900 0.197 0.000 1.144 335 G CA 0.716 45.906 45.100 0.150 0.000 0.813 335 G HN 0.354 nan 8.290 nan 0.000 0.531 336 S N 1.755 117.542 115.700 0.144 0.000 2.372 336 S HA -0.117 4.357 4.470 0.007 0.000 0.227 336 S C 2.576 177.176 174.600 0.001 0.000 1.044 336 S CA 1.779 60.047 58.200 0.113 0.000 1.050 336 S CB -0.699 62.516 63.200 0.026 0.000 0.901 336 S HN 0.581 nan 8.310 nan 0.000 0.447 337 A N 0.594 123.345 122.820 -0.115 0.000 2.015 337 A HA 0.181 4.505 4.320 0.007 0.000 0.219 337 A C 1.852 179.349 177.584 -0.145 0.000 1.163 337 A CA 1.118 52.961 52.037 -0.323 0.000 0.646 337 A CB -0.976 17.732 19.000 -0.486 0.000 0.806 337 A HN 0.557 nan 8.150 nan 0.000 0.448 338 F N 0.071 119.971 119.950 -0.084 0.000 2.407 338 F HA 0.002 4.533 4.527 0.006 0.000 0.299 338 F C 1.918 177.730 175.800 0.021 0.000 1.097 338 F CA 0.736 58.699 58.000 -0.062 0.000 1.422 338 F CB -0.280 38.611 39.000 -0.181 0.000 1.067 338 F HN 0.116 nan 8.300 nan 0.000 0.539 339 L N -0.227 121.061 121.223 0.109 0.000 2.141 339 L HA -0.133 4.211 4.340 0.007 0.000 0.209 339 L C 2.378 179.300 176.870 0.087 0.000 1.094 339 L CA 1.045 55.831 54.840 -0.089 0.000 0.763 339 L CB -0.922 40.855 42.059 -0.470 0.000 0.908 339 L HN 0.159 nan 8.230 nan 0.000 0.437 340 V N -4.531 115.488 119.914 0.176 0.000 3.380 340 V HA -0.136 3.988 4.120 0.007 0.000 0.268 340 V C 0.789 176.842 176.094 -0.068 0.000 1.168 340 V CA 0.444 62.839 62.300 0.158 0.000 1.156 340 V CB -1.228 30.729 31.823 0.223 0.000 0.785 340 V HN 0.239 nan 8.190 nan 0.000 0.487 341 Y N 2.517 122.836 120.300 0.032 0.000 2.767 341 Y HA 0.634 5.188 4.550 0.006 0.000 0.354 341 Y C 1.558 177.467 175.900 0.014 0.000 1.292 341 Y CA 0.057 58.140 58.100 -0.027 0.000 1.749 341 Y CB -0.014 38.388 38.460 -0.098 0.000 1.841 341 Y HN 0.385 nan 8.280 nan 0.000 0.454 342 G N 0.258 109.131 108.800 0.122 0.000 2.137 342 G HA2 -0.240 3.724 3.960 0.007 0.000 0.237 342 G HA3 -0.240 3.724 3.960 0.007 0.000 0.237 342 G C -0.420 174.571 174.900 0.151 0.000 1.002 342 G CA -0.049 45.135 45.100 0.140 0.000 0.702 342 G HN 0.312 nan 8.290 nan 0.000 0.515 343 V N 1.601 121.613 119.914 0.163 0.000 2.368 343 V HA 0.374 4.498 4.120 0.007 0.000 0.266 343 V C -1.438 174.842 176.094 0.310 0.000 1.045 343 V CA -1.622 60.793 62.300 0.192 0.000 0.899 343 V CB 1.168 33.039 31.823 0.080 0.000 1.006 343 V HN 0.162 nan 8.190 nan 0.000 0.470 344 P HA 0.255 nan 4.420 nan 0.000 0.264 344 P C 1.014 178.420 177.300 0.177 0.000 1.193 344 P CA 1.195 64.397 63.100 0.170 0.000 0.763 344 P CB 0.654 32.419 31.700 0.109 0.000 0.810 345 G N 1.497 110.332 108.800 0.059 0.000 2.278 345 G HA2 -0.190 3.774 3.960 0.007 0.000 0.210 345 G HA3 -0.190 3.774 3.960 0.007 0.000 0.210 345 G C -0.250 174.426 174.900 -0.373 0.000 1.000 345 G CA -0.600 44.386 45.100 -0.190 0.000 0.635 345 G HN 0.400 nan 8.290 nan 0.000 0.495 346 F N 1.456 121.416 119.950 0.017 0.000 2.450 346 F HA 0.833 5.364 4.527 0.006 0.000 0.332 346 F C 0.549 176.440 175.800 0.152 0.000 1.093 346 F CA -0.165 57.864 58.000 0.049 0.000 1.003 346 F CB 2.349 41.417 39.000 0.114 0.000 1.151 346 F HN 0.194 nan 8.300 nan 0.000 0.474 347 S N 1.129 117.074 115.700 0.408 0.000 2.567 347 S HA 0.272 4.746 4.470 0.007 0.000 0.270 347 S C 0.072 174.978 174.600 0.511 0.000 1.152 347 S CA -0.843 57.601 58.200 0.406 0.000 0.835 347 S CB 1.368 64.709 63.200 0.235 0.000 1.115 347 S HN 0.765 nan 8.310 nan 0.000 0.459 348 K N 0.846 121.433 120.400 0.312 0.000 2.418 348 K HA 0.194 4.518 4.320 0.007 0.000 0.195 348 K C 0.014 176.634 176.600 0.033 0.000 1.035 348 K CA 0.866 57.235 56.287 0.137 0.000 1.003 348 K CB -0.039 32.297 32.500 -0.273 0.000 0.793 348 K HN 0.410 nan 8.250 nan 0.000 0.494 349 D N 0.969 121.376 120.400 0.012 0.000 2.349 349 D HA 0.026 4.670 4.640 0.007 0.000 0.214 349 D C -0.351 175.978 176.300 0.047 0.000 1.063 349 D CA 0.219 54.201 54.000 -0.030 0.000 0.847 349 D CB 0.192 40.950 40.800 -0.070 0.000 0.933 349 D HN 0.476 nan 8.370 nan 0.000 0.513 350 N N -1.117 117.656 118.700 0.121 0.000 3.157 350 N HA 0.088 4.832 4.740 0.007 0.000 0.291 350 N C 0.340 175.918 175.510 0.114 0.000 1.515 350 N CA -0.493 52.607 53.050 0.082 0.000 0.807 350 N CB 0.888 39.378 38.487 0.006 0.000 1.672 350 N HN -0.440 nan 8.380 nan 0.000 0.592 351 E N -0.386 119.797 120.200 -0.029 0.000 2.511 351 E HA 0.039 4.393 4.350 0.007 0.000 0.196 351 E C -0.383 175.868 176.600 -0.581 0.000 1.066 351 E CA 0.281 56.587 56.400 -0.157 0.000 0.871 351 E CB -0.588 29.061 29.700 -0.084 0.000 0.863 351 E HN 0.590 nan 8.360 nan 0.000 0.520 352 S N 0.130 115.512 115.700 -0.530 0.000 3.581 352 S HA -0.195 4.279 4.470 0.007 0.000 0.354 352 S C 0.337 174.504 174.600 -0.721 0.000 1.059 352 S CA 0.177 57.927 58.200 -0.750 0.000 1.060 352 S CB -1.714 60.779 63.200 -1.178 0.000 0.908 352 S HN 0.307 nan 8.310 nan 0.000 0.475 353 L N 1.872 122.822 121.223 -0.455 0.000 2.485 353 L HA 0.333 4.677 4.340 0.007 0.000 0.279 353 L C 0.817 177.489 176.870 -0.330 0.000 1.124 353 L CA -0.028 54.606 54.840 -0.342 0.000 0.888 353 L CB -0.182 41.747 42.059 -0.218 0.000 1.217 353 L HN 0.435 nan 8.230 nan 0.000 0.464 354 I N 0.400 120.756 120.570 -0.357 0.000 2.924 354 I HA 0.632 4.806 4.170 0.007 0.000 0.316 354 I C 0.657 176.685 176.117 -0.148 0.000 1.014 354 I CA -0.557 60.572 61.300 -0.285 0.000 1.106 354 I CB 1.709 39.503 38.000 -0.343 0.000 1.311 354 I HN 0.507 nan 8.210 nan 0.000 0.502 355 S N 1.781 117.432 115.700 -0.082 0.000 2.730 355 S HA 0.452 4.926 4.470 0.007 0.000 0.284 355 S C 0.860 175.478 174.600 0.030 0.000 1.153 355 S CA -0.669 57.512 58.200 -0.032 0.000 0.995 355 S CB 1.667 64.855 63.200 -0.021 0.000 1.058 355 S HN 0.837 nan 8.310 nan 0.000 0.552 356 R N 0.047 120.572 120.500 0.042 0.000 2.066 356 R HA -0.030 4.314 4.340 0.007 0.000 0.232 356 R C 2.452 178.838 176.300 0.143 0.000 1.131 356 R CA 1.424 57.590 56.100 0.111 0.000 0.955 356 R CB -1.178 29.164 30.300 0.069 0.000 0.851 356 R HN 0.831 nan 8.270 nan 0.000 0.432 357 A N 1.016 123.885 122.820 0.081 0.000 1.884 357 A HA -0.305 4.019 4.320 0.007 0.000 0.219 357 A C 2.068 179.701 177.584 0.082 0.000 1.197 357 A CA 1.973 54.049 52.037 0.066 0.000 0.637 357 A CB -0.800 18.224 19.000 0.040 0.000 0.827 357 A HN 0.541 nan 8.150 nan 0.000 0.450 358 Q N -2.023 117.829 119.800 0.086 0.000 2.181 358 Q HA -0.154 4.190 4.340 0.007 0.000 0.205 358 Q C 1.897 178.013 176.000 0.194 0.000 0.980 358 Q CA 1.543 57.410 55.803 0.106 0.000 0.862 358 Q CB -0.297 28.473 28.738 0.053 0.000 0.905 358 Q HN 0.820 nan 8.270 nan 0.000 0.429 359 F N 1.006 120.984 119.950 0.046 0.000 2.084 359 F HA -0.198 4.333 4.527 0.006 0.000 0.296 359 F C 1.801 177.633 175.800 0.054 0.000 1.111 359 F CA 0.956 58.992 58.000 0.060 0.000 1.224 359 F CB 0.047 39.065 39.000 0.030 0.000 0.991 359 F HN -0.044 nan 8.300 nan 0.000 0.471 360 L N 0.414 121.578 121.223 -0.098 0.000 2.043 360 L HA -0.272 4.072 4.340 0.007 0.000 0.212 360 L C 2.862 179.659 176.870 -0.123 0.000 1.075 360 L CA 1.292 56.025 54.840 -0.178 0.000 0.752 360 L CB -1.543 40.492 42.059 -0.040 0.000 0.891 360 L HN 0.294 nan 8.230 nan 0.000 0.432 361 A N 0.647 123.448 122.820 -0.032 0.000 1.877 361 A HA -0.126 4.198 4.320 0.007 0.000 0.216 361 A C 2.462 180.045 177.584 -0.002 0.000 1.186 361 A CA 1.785 53.821 52.037 -0.001 0.000 0.620 361 A CB -1.366 17.657 19.000 0.038 0.000 0.822 361 A HN 0.440 nan 8.150 nan 0.000 0.443 362 G N -0.570 108.246 108.800 0.026 0.000 2.469 362 G HA2 -0.196 3.768 3.960 0.007 0.000 0.219 362 G HA3 -0.196 3.768 3.960 0.007 0.000 0.219 362 G C 1.526 176.387 174.900 -0.065 0.000 1.150 362 G CA 1.364 46.482 45.100 0.029 0.000 0.763 362 G HN 0.343 nan 8.290 nan 0.000 0.561 363 V N 0.888 120.690 119.914 -0.186 0.000 2.427 363 V HA -0.126 3.998 4.120 0.007 0.000 0.248 363 V C 3.012 179.050 176.094 -0.094 0.000 1.051 363 V CA 1.702 63.882 62.300 -0.200 0.000 1.048 363 V CB -0.355 31.246 31.823 -0.369 0.000 0.666 363 V HN 0.252 nan 8.190 nan 0.000 0.456 364 R N -0.082 120.373 120.500 -0.074 0.000 2.081 364 R HA -0.042 4.302 4.340 0.007 0.000 0.235 364 R C 2.090 178.377 176.300 -0.021 0.000 1.131 364 R CA 1.535 57.613 56.100 -0.037 0.000 0.960 364 R CB -0.923 29.361 30.300 -0.026 0.000 0.856 364 R HN 0.449 nan 8.270 nan 0.000 0.436 365 I N 0.039 120.601 120.570 -0.015 0.000 2.286 365 I HA -0.129 4.045 4.170 0.007 0.000 0.245 365 I C 2.372 178.486 176.117 -0.004 0.000 1.104 365 I CA 1.497 62.797 61.300 0.000 0.000 1.397 365 I CB -0.508 37.504 38.000 0.020 0.000 1.072 365 I HN 0.236 nan 8.210 nan 0.000 0.417 366 G N 0.076 108.866 108.800 -0.017 0.000 2.421 366 G HA2 -0.064 3.900 3.960 0.007 0.000 0.217 366 G HA3 -0.064 3.900 3.960 0.007 0.000 0.217 366 G C 0.850 175.752 174.900 0.002 0.000 1.143 366 G CA 0.347 45.437 45.100 -0.016 0.000 0.784 366 G HN 0.237 nan 8.290 nan 0.000 0.541 367 V N 2.340 122.244 119.914 -0.015 0.000 2.233 367 V HA 0.216 4.340 4.120 0.007 0.000 0.261 367 V C -1.441 174.651 176.094 -0.003 0.000 1.076 367 V CA -1.115 61.164 62.300 -0.034 0.000 1.001 367 V CB 1.447 33.241 31.823 -0.048 0.000 1.206 367 V HN 0.094 nan 8.190 nan 0.000 0.468 368 P HA -0.137 nan 4.420 nan 0.000 0.221 368 P C 1.115 178.415 177.300 0.000 0.000 1.150 368 P CA 1.015 64.116 63.100 0.002 0.000 0.800 368 P CB 0.399 32.098 31.700 -0.002 0.000 0.787 369 Q N 0.336 120.144 119.800 0.013 0.000 2.364 369 Q HA 0.103 4.447 4.340 0.007 0.000 0.207 369 Q C 1.151 177.148 176.000 -0.005 0.000 0.970 369 Q CA 0.637 56.444 55.803 0.006 0.000 0.888 369 Q CB -1.038 27.714 28.738 0.023 0.000 0.951 369 Q HN 0.165 nan 8.270 nan 0.000 0.469 370 A N 1.486 124.302 122.820 -0.007 0.000 2.409 370 A HA 0.448 4.772 4.320 0.007 0.000 0.267 370 A C 0.439 178.014 177.584 -0.015 0.000 1.127 370 A CA -0.426 51.603 52.037 -0.014 0.000 0.795 370 A CB 0.198 19.194 19.000 -0.008 0.000 1.061 370 A HN 0.355 nan 8.150 nan 0.000 0.502 371 S N 2.170 117.858 115.700 -0.020 0.000 2.598 371 S HA 0.019 4.493 4.470 0.007 0.000 0.256 371 S C 0.565 175.162 174.600 -0.005 0.000 1.350 371 S CA 0.529 58.719 58.200 -0.015 0.000 0.984 371 S CB 0.218 63.405 63.200 -0.021 0.000 0.930 371 S HN 0.645 nan 8.310 nan 0.000 0.577 372 D N -0.001 120.399 120.400 -0.001 0.000 2.104 372 D HA -0.085 4.559 4.640 0.007 0.000 0.194 372 D C 1.734 178.047 176.300 0.021 0.000 0.994 372 D CA 1.216 55.221 54.000 0.009 0.000 0.830 372 D CB -0.409 40.397 40.800 0.010 0.000 0.959 372 D HN 0.456 nan 8.370 nan 0.000 0.452 373 L N 0.395 121.631 121.223 0.021 0.000 2.056 373 L HA -0.020 4.324 4.340 0.007 0.000 0.207 373 L C 2.028 178.931 176.870 0.055 0.000 1.078 373 L CA 1.849 56.713 54.840 0.039 0.000 0.749 373 L CB -0.766 41.309 42.059 0.028 0.000 0.901 373 L HN 0.001 nan 8.230 nan 0.000 0.433 374 A N -0.434 122.400 122.820 0.023 0.000 1.933 374 A HA -0.100 4.224 4.320 0.007 0.000 0.218 374 A C 2.446 180.070 177.584 0.065 0.000 1.175 374 A CA 1.752 53.802 52.037 0.022 0.000 0.628 374 A CB -1.149 17.828 19.000 -0.038 0.000 0.814 374 A HN 0.582 nan 8.150 nan 0.000 0.444 375 A N -0.683 122.162 122.820 0.041 0.000 1.902 375 A HA -0.143 4.181 4.320 0.007 0.000 0.217 375 A C 2.004 179.621 177.584 0.055 0.000 1.181 375 A CA 1.649 53.705 52.037 0.032 0.000 0.623 375 A CB -0.411 18.588 19.000 -0.000 0.000 0.818 375 A HN 0.447 nan 8.150 nan 0.000 0.443 376 E N -0.046 120.199 120.200 0.074 0.000 2.077 376 E HA -0.150 4.204 4.350 0.007 0.000 0.193 376 E C 2.396 179.090 176.600 0.157 0.000 0.989 376 E CA 1.191 57.654 56.400 0.105 0.000 0.800 376 E CB -0.495 29.266 29.700 0.101 0.000 0.746 376 E HN 0.543 nan 8.360 nan 0.000 0.452 377 A N 0.912 123.848 122.820 0.194 0.000 1.883 377 A HA -0.185 4.139 4.320 0.007 0.000 0.217 377 A C 2.627 180.358 177.584 0.245 0.000 1.186 377 A CA 1.814 54.028 52.037 0.294 0.000 0.624 377 A CB -0.872 18.399 19.000 0.452 0.000 0.822 377 A HN 0.149 nan 8.150 nan 0.000 0.444 378 V N -0.428 119.637 119.914 0.252 0.000 2.252 378 V HA -0.278 3.846 4.120 0.007 0.000 0.249 378 V C 2.587 178.815 176.094 0.224 0.000 1.056 378 V CA 2.187 64.576 62.300 0.148 0.000 1.022 378 V CB -0.939 30.980 31.823 0.160 0.000 0.641 378 V HN 0.383 nan 8.190 nan 0.000 0.445 379 V N -0.323 119.688 119.914 0.162 0.000 2.287 379 V HA -0.270 3.854 4.120 0.007 0.000 0.248 379 V C 2.311 178.612 176.094 0.345 0.000 1.053 379 V CA 2.108 64.544 62.300 0.226 0.000 1.027 379 V CB -0.542 31.334 31.823 0.088 0.000 0.646 379 V HN 0.447 nan 8.190 nan 0.000 0.447 380 L N -0.648 120.761 121.223 0.309 0.000 2.083 380 L HA -0.232 4.112 4.340 0.007 0.000 0.209 380 L C 2.552 179.648 176.870 0.378 0.000 1.083 380 L CA 2.202 57.308 54.840 0.444 0.000 0.752 380 L CB -0.806 41.457 42.059 0.341 0.000 0.899 380 L HN 0.480 nan 8.230 nan 0.000 0.433 381 H N -0.956 118.134 119.070 0.034 0.000 2.389 381 H HA -0.187 4.373 4.556 0.005 0.000 0.299 381 H C 1.893 177.133 175.328 -0.147 0.000 1.081 381 H CA 1.810 57.725 56.048 -0.222 0.000 1.345 381 H CB 0.052 29.301 29.762 -0.854 0.000 1.393 381 H HN 0.237 nan 8.280 nan 0.000 0.520 382 Y N 0.153 120.546 120.300 0.155 0.000 2.517 382 Y HA 0.085 4.640 4.550 0.008 0.000 0.281 382 Y C 0.867 176.839 175.900 0.120 0.000 1.125 382 Y CA 0.477 58.693 58.100 0.193 0.000 1.283 382 Y CB 0.111 38.788 38.460 0.362 0.000 1.042 382 Y HN 0.044 nan 8.280 nan 0.000 0.547 383 T N 1.483 116.117 114.554 0.132 0.000 2.934 383 T HA -0.076 4.278 4.350 0.007 0.000 0.306 383 T C -0.233 174.223 174.700 -0.406 0.000 1.042 383 T CA -0.118 61.813 62.100 -0.282 0.000 1.145 383 T CB 0.229 68.575 68.868 -0.871 0.000 0.982 383 T HN 0.082 nan 8.240 nan 0.000 0.544 384 D N 1.531 121.677 120.400 -0.422 0.000 2.316 384 D HA 0.133 4.777 4.640 0.007 0.000 0.245 384 D C -0.119 175.901 176.300 -0.466 0.000 1.171 384 D CA -0.703 53.016 54.000 -0.468 0.000 0.856 384 D CB 0.468 40.832 40.800 -0.727 0.000 1.090 384 D HN 0.591 nan 8.370 nan 0.000 0.476 385 W N 3.150 124.365 121.300 -0.142 0.000 3.047 385 W HA 0.177 4.840 4.660 0.005 0.000 0.250 385 W C 1.816 178.228 176.519 -0.177 0.000 1.314 385 W CA -0.270 57.003 57.345 -0.121 0.000 1.540 385 W CB 0.006 29.408 29.460 -0.097 0.000 1.127 385 W HN 0.411 nan 8.180 nan 0.000 0.679 386 L N -0.866 120.267 121.223 -0.149 0.000 2.179 386 L HA -0.042 4.302 4.340 0.007 0.000 0.208 386 L C 0.080 176.527 176.870 -0.705 0.000 1.096 386 L CA 1.128 55.701 54.840 -0.446 0.000 0.779 386 L CB -0.261 41.425 42.059 -0.620 0.000 0.922 386 L HN 0.048 nan 8.230 nan 0.000 0.443 387 H N -1.854 117.152 119.070 -0.107 0.000 2.514 387 H HA 0.156 4.715 4.556 0.006 0.000 0.226 387 H C -1.980 173.253 175.328 -0.159 0.000 1.421 387 H CA -1.286 54.697 56.048 -0.109 0.000 1.394 387 H CB 0.126 29.829 29.762 -0.098 0.000 1.701 387 H HN -0.060 nan 8.280 nan 0.000 0.515 388 P HA -0.094 nan 4.420 nan 0.000 0.239 388 P C 0.480 177.700 177.300 -0.133 0.000 1.184 388 P CA 0.938 63.896 63.100 -0.238 0.000 0.760 388 P CB 0.688 32.207 31.700 -0.302 0.000 0.884 389 E N -0.959 119.207 120.200 -0.056 0.000 2.562 389 E HA 0.048 4.402 4.350 0.007 0.000 0.214 389 E C 0.245 176.824 176.600 -0.034 0.000 0.979 389 E CA -0.064 56.312 56.400 -0.039 0.000 1.002 389 E CB 0.025 29.715 29.700 -0.017 0.000 1.048 389 E HN 0.251 nan 8.360 nan 0.000 0.488 390 D N 2.542 122.933 120.400 -0.016 0.000 2.389 390 D HA -0.000 4.644 4.640 0.007 0.000 0.263 390 D C -1.655 174.614 176.300 -0.053 0.000 1.255 390 D CA -1.621 52.365 54.000 -0.024 0.000 0.914 390 D CB 1.636 42.431 40.800 -0.009 0.000 1.116 390 D HN -0.133 nan 8.370 nan 0.000 0.502 391 P HA -0.120 nan 4.420 nan 0.000 0.215 391 P C 1.312 178.531 177.300 -0.136 0.000 1.153 391 P CA 1.192 64.222 63.100 -0.116 0.000 0.853 391 P CB 0.233 31.863 31.700 -0.117 0.000 0.788 392 T N -1.732 112.763 114.554 -0.099 0.000 2.674 392 T HA -0.207 4.147 4.350 0.007 0.000 0.265 392 T C 1.749 176.405 174.700 -0.074 0.000 1.039 392 T CA 1.783 63.832 62.100 -0.085 0.000 1.150 392 T CB -1.180 67.660 68.868 -0.047 0.000 0.864 392 T HN 0.254 nan 8.240 nan 0.000 0.427 393 H N 0.945 119.952 119.070 -0.105 0.000 2.387 393 H HA 0.037 4.597 4.556 0.006 0.000 0.299 393 H C 1.985 177.211 175.328 -0.171 0.000 1.099 393 H CA 1.309 57.294 56.048 -0.104 0.000 1.315 393 H CB -0.522 29.183 29.762 -0.095 0.000 1.380 393 H HN 0.249 nan 8.280 nan 0.000 0.513 394 L N -0.077 120.945 121.223 -0.334 0.000 2.027 394 L HA -0.161 4.183 4.340 0.007 0.000 0.206 394 L C 2.898 179.568 176.870 -0.334 0.000 1.074 394 L CA 1.442 55.977 54.840 -0.509 0.000 0.745 394 L CB -0.517 41.325 42.059 -0.362 0.000 0.898 394 L HN 0.271 nan 8.230 nan 0.000 0.433 395 R N 0.591 120.980 120.500 -0.186 0.000 2.096 395 R HA -0.222 4.122 4.340 0.007 0.000 0.240 395 R C 1.674 177.994 176.300 0.034 0.000 1.139 395 R CA 2.374 58.452 56.100 -0.036 0.000 0.952 395 R CB -0.481 29.697 30.300 -0.204 0.000 0.854 395 R HN 0.374 nan 8.270 nan 0.000 0.436 396 D N 0.056 120.403 120.400 -0.088 0.000 2.183 396 D HA -0.053 4.591 4.640 0.007 0.000 0.203 396 D C 1.761 178.009 176.300 -0.086 0.000 0.969 396 D CA 1.295 55.275 54.000 -0.033 0.000 0.842 396 D CB -0.243 40.536 40.800 -0.035 0.000 0.957 396 D HN 0.370 nan 8.370 nan 0.000 0.484 397 A N 0.943 123.575 122.820 -0.313 0.000 1.877 397 A HA -0.184 4.140 4.320 0.007 0.000 0.216 397 A C 2.153 179.741 177.584 0.006 0.000 1.186 397 A CA 1.702 53.618 52.037 -0.201 0.000 0.620 397 A CB -0.551 18.145 19.000 -0.507 0.000 0.822 397 A HN 0.155 nan 8.150 nan 0.000 0.443 398 M N 0.041 119.713 119.600 0.118 0.000 2.149 398 M HA -0.100 4.384 4.480 0.007 0.000 0.261 398 M C 2.237 178.565 176.300 0.047 0.000 1.064 398 M CA 2.100 57.548 55.300 0.248 0.000 1.102 398 M CB -0.597 32.215 32.600 0.353 0.000 1.369 398 M HN 0.414 nan 8.290 nan 0.000 0.408 399 S N -0.536 115.200 115.700 0.061 0.000 2.371 399 S HA 0.005 4.479 4.470 0.007 0.000 0.224 399 S C 2.026 176.662 174.600 0.060 0.000 1.029 399 S CA 1.241 59.486 58.200 0.075 0.000 0.978 399 S CB -0.493 62.814 63.200 0.177 0.000 0.833 399 S HN 0.618 nan 8.310 nan 0.000 0.466 400 A N 0.853 123.718 122.820 0.075 0.000 1.930 400 A HA 0.046 4.370 4.320 0.007 0.000 0.217 400 A C 2.304 179.897 177.584 0.016 0.000 1.175 400 A CA 1.560 53.676 52.037 0.132 0.000 0.627 400 A CB -0.970 18.216 19.000 0.310 0.000 0.815 400 A HN 0.439 nan 8.150 nan 0.000 0.443 401 V N -0.366 119.403 119.914 -0.242 0.000 2.255 401 V HA -0.258 3.866 4.120 0.007 0.000 0.247 401 V C 2.596 178.597 176.094 -0.155 0.000 1.051 401 V CA 2.185 64.315 62.300 -0.283 0.000 1.018 401 V CB -0.814 30.857 31.823 -0.253 0.000 0.641 401 V HN 0.381 nan 8.190 nan 0.000 0.445 402 V N 0.688 120.531 119.914 -0.119 0.000 2.261 402 V HA -0.189 3.935 4.120 0.007 0.000 0.246 402 V C 2.642 178.609 176.094 -0.211 0.000 1.047 402 V CA 2.250 64.462 62.300 -0.147 0.000 1.015 402 V CB -1.510 30.262 31.823 -0.085 0.000 0.642 402 V HN 0.619 nan 8.190 nan 0.000 0.446 403 G N -0.090 108.648 108.800 -0.103 0.000 2.491 403 G HA2 -0.288 3.676 3.960 0.007 0.000 0.218 403 G HA3 -0.288 3.676 3.960 0.007 0.000 0.218 403 G C 1.244 176.057 174.900 -0.145 0.000 1.180 403 G CA 1.258 46.312 45.100 -0.077 0.000 0.774 403 G HN 0.519 nan 8.290 nan 0.000 0.562 404 D N -0.387 119.947 120.400 -0.110 0.000 2.097 404 D HA -0.073 4.571 4.640 0.007 0.000 0.197 404 D C 2.114 178.114 176.300 -0.499 0.000 0.984 404 D CA 1.339 55.251 54.000 -0.146 0.000 0.826 404 D CB -0.515 40.365 40.800 0.134 0.000 0.973 404 D HN 0.434 nan 8.370 nan 0.000 0.460 405 H N 0.957 119.452 119.070 -0.958 0.000 2.357 405 H HA 0.027 4.587 4.556 0.006 0.000 0.301 405 H C 1.489 176.411 175.328 -0.676 0.000 1.082 405 H CA 1.636 56.927 56.048 -1.263 0.000 1.342 405 H CB 0.020 28.921 29.762 -1.435 0.000 1.389 405 H HN -0.018 nan 8.280 nan 0.000 0.511 406 N N -0.762 117.486 118.700 -0.753 0.000 2.395 406 N HA -0.001 4.743 4.740 0.007 0.000 0.175 406 N C 1.168 176.400 175.510 -0.464 0.000 1.029 406 N CA 1.078 53.622 53.050 -0.844 0.000 0.897 406 N CB 1.039 38.538 38.487 -1.647 0.000 0.991 406 N HN 0.284 nan 8.380 nan 0.000 0.441 407 V N -0.689 119.032 119.914 -0.321 0.000 3.442 407 V HA 0.058 4.182 4.120 0.007 0.000 0.205 407 V C 2.135 178.178 176.094 -0.084 0.000 1.320 407 V CA 0.155 62.396 62.300 -0.097 0.000 1.306 407 V CB -0.102 31.734 31.823 0.021 0.000 1.267 407 V HN -0.188 nan 8.190 nan 0.000 0.538 408 V N 0.220 120.088 119.914 -0.078 0.000 2.255 408 V HA -0.311 3.813 4.120 0.007 0.000 0.247 408 V C 2.519 178.575 176.094 -0.063 0.000 1.051 408 V CA 2.729 65.000 62.300 -0.049 0.000 1.018 408 V CB -0.703 31.120 31.823 0.000 0.000 0.641 408 V HN 0.688 nan 8.190 nan 0.000 0.445 409 c N -0.621 117.939 118.600 -0.067 0.000 2.457 409 c HA 0.002 4.576 4.570 0.007 0.000 0.278 409 c C 0.529 174.590 174.090 -0.048 0.000 1.309 409 c CA 0.788 57.108 56.329 -0.014 0.000 1.735 409 c CB -1.763 40.786 42.510 0.065 0.000 1.992 409 c HN 0.463 nan 8.230 nan 0.000 0.493 410 P HA -0.077 nan 4.420 nan 0.000 0.215 410 P C 1.837 179.070 177.300 -0.111 0.000 1.157 410 P CA 1.388 64.415 63.100 -0.121 0.000 0.868 410 P CB -0.181 31.413 31.700 -0.177 0.000 0.788 411 V N 0.326 120.175 119.914 -0.109 0.000 2.282 411 V HA -0.327 3.797 4.120 0.007 0.000 0.249 411 V C 2.456 178.448 176.094 -0.170 0.000 1.057 411 V CA 2.432 64.651 62.300 -0.136 0.000 1.032 411 V CB -1.781 29.958 31.823 -0.140 0.000 0.645 411 V HN 0.116 nan 8.190 nan 0.000 0.447 412 A N -1.164 121.575 122.820 -0.136 0.000 1.883 412 A HA -0.339 3.985 4.320 0.007 0.000 0.217 412 A C 2.249 179.794 177.584 -0.066 0.000 1.186 412 A CA 2.310 54.278 52.037 -0.114 0.000 0.624 412 A CB -0.598 18.384 19.000 -0.029 0.000 0.822 412 A HN 0.607 nan 8.150 nan 0.000 0.444 413 Q N -1.200 118.576 119.800 -0.040 0.000 2.084 413 Q HA -0.169 4.175 4.340 0.007 0.000 0.202 413 Q C 2.030 178.002 176.000 -0.047 0.000 0.978 413 Q CA 1.556 57.348 55.803 -0.018 0.000 0.844 413 Q CB -0.222 28.507 28.738 -0.015 0.000 0.898 413 Q HN 0.554 nan 8.270 nan 0.000 0.426 414 L N 0.474 121.640 121.223 -0.095 0.000 1.989 414 L HA -0.153 4.191 4.340 0.007 0.000 0.211 414 L C 2.195 178.982 176.870 -0.138 0.000 1.071 414 L CA 2.327 57.092 54.840 -0.124 0.000 0.749 414 L CB -0.937 41.035 42.059 -0.145 0.000 0.890 414 L HN 0.229 nan 8.230 nan 0.000 0.431 415 A N -0.661 122.041 122.820 -0.196 0.000 1.908 415 A HA -0.107 4.217 4.320 0.007 0.000 0.218 415 A C 2.342 179.918 177.584 -0.013 0.000 1.181 415 A CA 1.731 53.604 52.037 -0.273 0.000 0.627 415 A CB -1.642 16.905 19.000 -0.755 0.000 0.818 415 A HN 0.550 nan 8.150 nan 0.000 0.445 416 G N -0.459 108.390 108.800 0.082 0.000 2.480 416 G HA2 -0.249 3.715 3.960 0.007 0.000 0.216 416 G HA3 -0.249 3.715 3.960 0.007 0.000 0.216 416 G C 1.692 176.665 174.900 0.121 0.000 1.200 416 G CA 0.935 46.157 45.100 0.205 0.000 0.782 416 G HN 0.414 nan 8.290 nan 0.000 0.554 417 R N 0.332 120.868 120.500 0.060 0.000 2.073 417 R HA 0.075 4.419 4.340 0.007 0.000 0.234 417 R C 2.724 179.069 176.300 0.075 0.000 1.134 417 R CA 0.686 56.828 56.100 0.069 0.000 0.952 417 R CB -1.274 29.061 30.300 0.057 0.000 0.850 417 R HN 0.422 nan 8.270 nan 0.000 0.433 418 L N 0.314 121.516 121.223 -0.035 0.000 2.042 418 L HA -0.140 4.204 4.340 0.007 0.000 0.210 418 L C 2.574 179.480 176.870 0.060 0.000 1.076 418 L CA 1.560 56.343 54.840 -0.096 0.000 0.749 418 L CB -0.716 41.190 42.059 -0.255 0.000 0.893 418 L HN 0.161 nan 8.230 nan 0.000 0.432 419 A N -0.160 122.713 122.820 0.089 0.000 1.968 419 A HA -0.003 4.321 4.320 0.007 0.000 0.217 419 A C 2.513 180.155 177.584 0.097 0.000 1.169 419 A CA 1.330 53.435 52.037 0.114 0.000 0.638 419 A CB -0.485 18.634 19.000 0.198 0.000 0.812 419 A HN 0.382 nan 8.150 nan 0.000 0.446 420 A N -0.847 122.036 122.820 0.104 0.000 1.969 420 A HA -0.105 4.219 4.320 0.007 0.000 0.218 420 A C 1.838 179.482 177.584 0.100 0.000 1.169 420 A CA 1.488 53.578 52.037 0.088 0.000 0.635 420 A CB -0.274 18.778 19.000 0.086 0.000 0.810 420 A HN 0.564 nan 8.150 nan 0.000 0.445 421 Q N -1.686 118.207 119.800 0.154 0.000 2.201 421 Q HA 0.389 4.733 4.340 0.007 0.000 0.217 421 Q C 0.777 176.891 176.000 0.190 0.000 0.860 421 Q CA 0.431 56.344 55.803 0.183 0.000 0.984 421 Q CB 0.523 29.430 28.738 0.282 0.000 1.095 421 Q HN 0.788 nan 8.270 nan 0.000 0.477 422 G N -0.570 108.316 108.800 0.143 0.000 2.201 422 G HA2 -0.224 3.740 3.960 0.007 0.000 0.212 422 G HA3 -0.224 3.740 3.960 0.007 0.000 0.212 422 G C 0.248 175.219 174.900 0.118 0.000 0.994 422 G CA -0.253 44.914 45.100 0.112 0.000 0.644 422 G HN 0.503 nan 8.290 nan 0.000 0.508 423 A N 0.092 122.996 122.820 0.140 0.000 2.351 423 A HA 0.742 5.066 4.320 0.007 0.000 0.257 423 A C 0.642 178.258 177.584 0.054 0.000 1.087 423 A CA 0.542 52.643 52.037 0.106 0.000 0.798 423 A CB 0.345 19.388 19.000 0.072 0.000 1.033 423 A HN 1.002 nan 8.150 nan 0.000 0.488 424 R N 1.655 122.182 120.500 0.045 0.000 2.216 424 R HA 0.479 4.823 4.340 0.007 0.000 0.332 424 R C -1.511 174.756 176.300 -0.054 0.000 1.056 424 R CA -0.088 55.996 56.100 -0.026 0.000 0.901 424 R CB 0.291 30.598 30.300 0.011 0.000 1.039 424 R HN 0.409 nan 8.270 nan 0.000 0.456 425 V N 6.041 125.862 119.914 -0.154 0.000 2.448 425 V HA 0.377 4.501 4.120 0.007 0.000 0.295 425 V C -0.965 174.957 176.094 -0.287 0.000 1.025 425 V CA -0.762 61.468 62.300 -0.115 0.000 0.859 425 V CB 1.257 33.076 31.823 -0.006 0.000 0.988 425 V HN 0.655 nan 8.190 nan 0.000 0.431 426 Y N 2.347 122.599 120.300 -0.080 0.000 2.377 426 Y HA 0.785 5.338 4.550 0.004 0.000 0.339 426 Y C 0.399 176.354 175.900 0.092 0.000 1.011 426 Y CA -0.521 57.527 58.100 -0.087 0.000 1.093 426 Y CB 2.096 40.162 38.460 -0.656 0.000 1.201 426 Y HN 0.753 nan 8.280 nan 0.000 0.455 427 A N 3.150 126.316 122.820 0.577 0.000 2.401 427 A HA 0.849 5.173 4.320 0.007 0.000 0.310 427 A C -1.802 176.164 177.584 0.637 0.000 1.075 427 A CA -0.688 51.578 52.037 0.382 0.000 0.746 427 A CB 0.948 19.999 19.000 0.084 0.000 1.277 427 A HN 0.753 nan 8.150 nan 0.000 0.425 428 Y N -0.501 120.033 120.300 0.390 0.000 2.609 428 Y HA 0.810 5.363 4.550 0.004 0.000 0.342 428 Y C -1.079 174.994 175.900 0.289 0.000 1.058 428 Y CA -1.608 56.683 58.100 0.317 0.000 1.055 428 Y CB 1.365 40.002 38.460 0.295 0.000 1.292 428 Y HN 0.694 nan 8.280 nan 0.000 0.476 429 I N 2.765 123.647 120.570 0.521 0.000 2.498 429 I HA 0.467 4.641 4.170 0.007 0.000 0.290 429 I C -1.842 174.609 176.117 0.557 0.000 1.032 429 I CA -1.052 60.516 61.300 0.446 0.000 1.073 429 I CB 1.225 39.425 38.000 0.333 0.000 1.251 429 I HN 0.744 nan 8.210 nan 0.000 0.426 430 F N 7.138 127.369 119.950 0.468 0.000 2.405 430 F HA 0.391 4.922 4.527 0.008 0.000 0.355 430 F C 0.649 176.602 175.800 0.255 0.000 1.121 430 F CA 0.110 58.330 58.000 0.365 0.000 1.112 430 F CB 0.932 40.166 39.000 0.389 0.000 1.126 430 F HN 0.554 nan 8.300 nan 0.000 0.481 431 E N 2.930 122.985 120.200 -0.243 0.000 2.630 431 E HA -0.018 4.336 4.350 0.007 0.000 0.218 431 E C -0.827 175.659 176.600 -0.190 0.000 0.977 431 E CA -0.153 56.188 56.400 -0.098 0.000 1.038 431 E CB 0.320 29.996 29.700 -0.041 0.000 1.051 431 E HN 0.512 nan 8.360 nan 0.000 0.487 432 H N 1.282 120.000 119.070 -0.586 0.000 2.552 432 H HA 0.246 4.806 4.556 0.006 0.000 0.311 432 H C -0.464 174.822 175.328 -0.070 0.000 1.071 432 H CA -0.485 55.297 56.048 -0.443 0.000 1.307 432 H CB 0.533 29.812 29.762 -0.806 0.000 1.416 432 H HN -0.157 nan 8.280 nan 0.000 0.464 433 R N 4.161 124.322 120.500 -0.564 0.000 2.216 433 R HA 0.446 4.790 4.340 0.007 0.000 0.332 433 R C -0.414 175.635 176.300 -0.418 0.000 1.056 433 R CA -0.511 55.410 56.100 -0.298 0.000 0.901 433 R CB 0.226 30.423 30.300 -0.171 0.000 1.039 433 R HN 0.835 nan 8.270 nan 0.000 0.456 434 A N 3.104 125.987 122.820 0.105 0.000 2.587 434 A HA -0.069 4.255 4.320 0.007 0.000 0.235 434 A C 1.352 179.027 177.584 0.152 0.000 1.044 434 A CA 0.783 53.073 52.037 0.422 0.000 0.754 434 A CB 0.220 19.550 19.000 0.551 0.000 0.968 434 A HN 1.015 nan 8.150 nan 0.000 0.509 435 S N 1.139 116.969 115.700 0.217 0.000 2.474 435 S HA -0.114 4.360 4.470 0.007 0.000 0.235 435 S C 1.193 175.777 174.600 -0.027 0.000 0.997 435 S CA 1.494 59.741 58.200 0.078 0.000 0.949 435 S CB -0.606 62.666 63.200 0.119 0.000 0.766 435 S HN 1.277 nan 8.310 nan 0.000 0.517 436 T N -0.930 113.574 114.554 -0.084 0.000 3.105 436 T HA 0.423 4.777 4.350 0.007 0.000 0.253 436 T C 0.222 174.836 174.700 -0.144 0.000 1.047 436 T CA -0.599 61.388 62.100 -0.188 0.000 0.944 436 T CB -0.343 68.281 68.868 -0.406 0.000 1.016 436 T HN 0.225 nan 8.240 nan 0.000 0.544 437 L N 3.722 124.897 121.223 -0.080 0.000 2.485 437 L HA 0.270 4.614 4.340 0.007 0.000 0.275 437 L C 1.633 178.426 176.870 -0.128 0.000 1.207 437 L CA 0.788 55.567 54.840 -0.102 0.000 0.855 437 L CB 0.947 42.957 42.059 -0.082 0.000 1.114 437 L HN 0.428 nan 8.230 nan 0.000 0.485 438 T N -1.378 113.045 114.554 -0.218 0.000 3.069 438 T HA 0.130 4.484 4.350 0.007 0.000 0.252 438 T C 0.230 174.878 174.700 -0.088 0.000 1.053 438 T CA -0.485 61.487 62.100 -0.214 0.000 0.964 438 T CB -0.286 68.341 68.868 -0.401 0.000 1.005 438 T HN 0.364 nan 8.240 nan 0.000 0.532 439 W N 3.465 124.760 121.300 -0.008 0.000 2.202 439 W HA 0.421 5.085 4.660 0.007 0.000 0.332 439 W C -1.984 174.440 176.519 -0.159 0.000 1.263 439 W CA -2.331 54.987 57.345 -0.044 0.000 1.223 439 W CB 0.327 29.685 29.460 -0.170 0.000 1.128 439 W HN -0.022 nan 8.180 nan 0.000 0.573 440 P HA -0.003 nan 4.420 nan 0.000 0.272 440 P C 0.515 177.740 177.300 -0.124 0.000 1.240 440 P CA 0.075 63.136 63.100 -0.066 0.000 0.791 440 P CB 0.884 32.542 31.700 -0.069 0.000 0.978 441 L N -0.060 121.157 121.223 -0.011 0.000 2.191 441 L HA -0.122 4.222 4.340 0.007 0.000 0.212 441 L C 2.585 179.489 176.870 0.056 0.000 1.103 441 L CA 1.309 56.161 54.840 0.020 0.000 0.769 441 L CB -0.941 41.155 42.059 0.063 0.000 0.908 441 L HN 0.601 nan 8.230 nan 0.000 0.438 442 W N -0.514 120.826 121.300 0.066 0.000 2.425 442 W HA -0.121 4.542 4.660 0.005 0.000 0.277 442 W C 1.726 178.292 176.519 0.078 0.000 1.231 442 W CA 0.451 57.837 57.345 0.068 0.000 1.248 442 W CB -0.741 28.761 29.460 0.069 0.000 1.117 442 W HN 0.162 nan 8.180 nan 0.000 0.568 443 M N 1.418 120.742 119.600 -0.459 0.000 2.619 443 M HA 0.115 4.599 4.480 0.007 0.000 0.251 443 M C 1.792 178.004 176.300 -0.145 0.000 1.106 443 M CA 1.399 56.400 55.300 -0.498 0.000 1.086 443 M CB -0.697 31.424 32.600 -0.799 0.000 1.465 443 M HN 0.201 nan 8.290 nan 0.000 0.506 444 G N 0.743 109.515 108.800 -0.047 0.000 2.622 444 G HA2 -0.297 3.667 3.960 0.007 0.000 0.307 444 G HA3 -0.297 3.667 3.960 0.007 0.000 0.307 444 G C -0.112 174.796 174.900 0.014 0.000 1.226 444 G CA -0.093 45.019 45.100 0.020 0.000 0.997 444 G HN 0.246 nan 8.290 nan 0.000 0.551 445 V N 3.638 123.603 119.914 0.085 0.000 2.288 445 V HA 0.459 4.583 4.120 0.007 0.000 0.266 445 V C -1.789 174.424 176.094 0.198 0.000 1.048 445 V CA -0.803 61.596 62.300 0.165 0.000 0.842 445 V CB 1.132 33.115 31.823 0.268 0.000 1.064 445 V HN 0.508 nan 8.190 nan 0.000 0.472 446 P HA 0.193 nan 4.420 nan 0.000 0.276 446 P C -0.174 177.345 177.300 0.364 0.000 1.252 446 P CA -0.607 62.597 63.100 0.173 0.000 0.802 446 P CB 0.352 32.014 31.700 -0.064 0.000 1.035 447 H N 0.812 119.981 119.070 0.165 0.000 3.232 447 H HA 0.142 4.701 4.556 0.006 0.000 0.276 447 H C 1.576 176.920 175.328 0.027 0.000 0.882 447 H CA 2.421 58.541 56.048 0.120 0.000 1.415 447 H CB -0.958 28.855 29.762 0.085 0.000 1.405 447 H HN 0.727 nan 8.280 nan 0.000 0.543 448 G N 3.553 112.264 108.800 -0.149 0.000 2.218 448 G HA2 -0.284 3.680 3.960 0.007 0.000 0.216 448 G HA3 -0.284 3.680 3.960 0.007 0.000 0.216 448 G C 0.598 175.482 174.900 -0.027 0.000 0.994 448 G CA 0.201 45.163 45.100 -0.230 0.000 0.637 448 G HN 0.610 nan 8.290 nan 0.000 0.505 449 Y N 1.695 122.141 120.300 0.243 0.000 2.470 449 Y HA 0.260 4.813 4.550 0.006 0.000 0.284 449 Y C 2.269 178.318 175.900 0.249 0.000 1.188 449 Y CA 0.878 59.163 58.100 0.308 0.000 1.269 449 Y CB 0.480 39.148 38.460 0.347 0.000 1.094 449 Y HN 0.477 nan 8.280 nan 0.000 0.518 450 E N 0.066 120.272 120.200 0.010 0.000 2.400 450 E HA -0.041 4.313 4.350 0.007 0.000 0.195 450 E C 1.565 178.066 176.600 -0.166 0.000 1.012 450 E CA 0.569 56.630 56.400 -0.565 0.000 0.875 450 E CB -0.339 28.541 29.700 -1.366 0.000 0.859 450 E HN 0.534 nan 8.360 nan 0.000 0.498 451 I N 2.899 123.476 120.570 0.011 0.000 2.127 451 I HA -0.296 3.878 4.170 0.007 0.000 0.241 451 I C 2.753 178.892 176.117 0.036 0.000 1.075 451 I CA 2.108 63.458 61.300 0.083 0.000 1.334 451 I CB -0.550 37.572 38.000 0.203 0.000 1.040 451 I HN 0.209 nan 8.210 nan 0.000 0.405 452 E N 1.258 121.424 120.200 -0.056 0.000 2.267 452 E HA -0.240 4.114 4.350 0.007 0.000 0.197 452 E C 2.010 178.374 176.600 -0.393 0.000 0.998 452 E CA 1.528 57.785 56.400 -0.238 0.000 0.830 452 E CB -0.482 29.056 29.700 -0.271 0.000 0.751 452 E HN 0.466 nan 8.360 nan 0.000 0.491 453 F N 1.092 120.936 119.950 -0.177 0.000 2.187 453 F HA 0.107 4.640 4.527 0.009 0.000 0.295 453 F C 2.325 177.894 175.800 -0.385 0.000 1.091 453 F CA 0.639 58.477 58.000 -0.271 0.000 1.308 453 F CB -0.165 38.753 39.000 -0.138 0.000 1.030 453 F HN -0.082 nan 8.300 nan 0.000 0.487 454 I N -1.178 119.233 120.570 -0.265 0.000 2.361 454 I HA -0.286 3.888 4.170 0.007 0.000 0.251 454 I C 1.803 177.664 176.117 -0.426 0.000 1.133 454 I CA 1.349 62.330 61.300 -0.533 0.000 1.413 454 I CB -0.417 37.124 38.000 -0.765 0.000 1.073 454 I HN 0.024 nan 8.210 nan 0.000 0.424 455 F N 0.454 120.226 119.950 -0.298 0.000 2.615 455 F HA 0.149 4.680 4.527 0.007 0.000 0.297 455 F C 1.946 177.605 175.800 -0.234 0.000 1.124 455 F CA 0.917 58.781 58.000 -0.228 0.000 1.451 455 F CB -0.035 38.816 39.000 -0.248 0.000 1.103 455 F HN 0.175 nan 8.300 nan 0.000 0.569 456 G N -0.223 108.414 108.800 -0.271 0.000 2.141 456 G HA2 -0.286 3.678 3.960 0.007 0.000 0.231 456 G HA3 -0.286 3.678 3.960 0.007 0.000 0.231 456 G C 1.010 175.278 174.900 -1.052 0.000 0.984 456 G CA 0.296 45.093 45.100 -0.503 0.000 0.660 456 G HN 0.268 nan 8.290 nan 0.000 0.525 457 L N 0.707 121.365 121.223 -0.941 0.000 2.051 457 L HA -0.043 4.301 4.340 0.007 0.000 0.214 457 L C 0.553 176.864 176.870 -0.932 0.000 1.076 457 L CA 3.053 57.306 54.840 -0.978 0.000 0.758 457 L CB -1.049 40.685 42.059 -0.542 0.000 0.890 457 L HN 0.239 nan 8.230 nan 0.000 0.433 458 P HA -0.172 nan 4.420 nan 0.000 0.220 458 P C 1.732 178.776 177.300 -0.427 0.000 1.144 458 P CA 1.141 63.641 63.100 -1.001 0.000 0.800 458 P CB -0.076 31.078 31.700 -0.910 0.000 0.772 459 L N -1.561 119.370 121.223 -0.487 0.000 2.362 459 L HA -0.047 4.297 4.340 0.007 0.000 0.219 459 L C 0.974 177.753 176.870 -0.152 0.000 1.134 459 L CA 0.739 55.413 54.840 -0.277 0.000 0.807 459 L CB -0.951 40.959 42.059 -0.248 0.000 0.927 459 L HN 0.021 nan 8.230 nan 0.000 0.447 460 D N 1.747 122.028 120.400 -0.198 0.000 2.374 460 D HA 0.085 4.729 4.640 0.007 0.000 0.240 460 D C -1.308 175.005 176.300 0.023 0.000 1.229 460 D CA -2.174 51.830 54.000 0.008 0.000 0.895 460 D CB 1.378 42.222 40.800 0.073 0.000 1.046 460 D HN -0.030 nan 8.370 nan 0.000 0.498 461 P HA -0.174 nan 4.420 nan 0.000 0.218 461 P C 1.218 178.532 177.300 0.023 0.000 1.148 461 P CA 0.886 64.002 63.100 0.027 0.000 0.822 461 P CB 0.004 31.716 31.700 0.020 0.000 0.784 462 S N -0.868 114.844 115.700 0.019 0.000 2.547 462 S HA -0.037 4.437 4.470 0.007 0.000 0.235 462 S C 1.713 176.306 174.600 -0.013 0.000 0.980 462 S CA 0.481 58.682 58.200 0.001 0.000 0.941 462 S CB -1.363 61.838 63.200 0.001 0.000 0.763 462 S HN 0.127 nan 8.310 nan 0.000 0.532 463 L N 0.589 121.818 121.223 0.010 0.000 2.592 463 L HA 0.233 4.577 4.340 0.007 0.000 0.227 463 L C 0.213 177.005 176.870 -0.131 0.000 1.127 463 L CA -0.144 54.681 54.840 -0.025 0.000 0.884 463 L CB -0.650 41.464 42.059 0.092 0.000 1.065 463 L HN 0.240 nan 8.230 nan 0.000 0.457 464 N N -1.119 117.542 118.700 -0.064 0.000 2.741 464 N HA -0.233 4.511 4.740 0.007 0.000 0.250 464 N C -0.426 175.005 175.510 -0.131 0.000 1.115 464 N CA 0.845 53.838 53.050 -0.096 0.000 0.724 464 N CB -1.829 36.577 38.487 -0.135 0.000 1.090 464 N HN 0.304 nan 8.380 nan 0.000 0.558 465 Y N 1.060 121.338 120.300 -0.036 0.000 2.379 465 Y HA 0.126 4.680 4.550 0.007 0.000 0.337 465 Y C 1.922 177.839 175.900 0.029 0.000 1.238 465 Y CA 0.187 58.289 58.100 0.005 0.000 1.405 465 Y CB 0.470 38.917 38.460 -0.021 0.000 1.310 465 Y HN 0.086 nan 8.280 nan 0.000 0.569 466 T N -2.093 112.595 114.554 0.224 0.000 2.900 466 T HA -0.010 4.344 4.350 0.007 0.000 0.307 466 T C 1.204 175.983 174.700 0.131 0.000 1.065 466 T CA -0.223 61.962 62.100 0.143 0.000 1.105 466 T CB 0.814 69.760 68.868 0.130 0.000 0.979 466 T HN 0.772 nan 8.240 nan 0.000 0.544 467 T N 1.835 116.437 114.554 0.079 0.000 2.737 467 T HA -0.127 4.227 4.350 0.007 0.000 0.269 467 T C 1.781 176.517 174.700 0.059 0.000 1.040 467 T CA 1.998 64.132 62.100 0.057 0.000 1.142 467 T CB -0.440 68.449 68.868 0.035 0.000 0.861 467 T HN 0.772 nan 8.240 nan 0.000 0.456 468 E N 1.042 121.275 120.200 0.055 0.000 2.077 468 E HA -0.099 4.255 4.350 0.007 0.000 0.193 468 E C 2.224 178.865 176.600 0.068 0.000 0.989 468 E CA 1.041 57.459 56.400 0.030 0.000 0.800 468 E CB -0.186 29.506 29.700 -0.012 0.000 0.746 468 E HN 0.573 nan 8.360 nan 0.000 0.452 469 E N 0.051 120.336 120.200 0.142 0.000 2.150 469 E HA -0.142 4.212 4.350 0.007 0.000 0.193 469 E C 2.081 178.822 176.600 0.234 0.000 0.985 469 E CA 0.399 56.979 56.400 0.299 0.000 0.814 469 E CB 0.031 30.026 29.700 0.492 0.000 0.752 469 E HN 0.063 nan 8.360 nan 0.000 0.466 470 R N 0.797 121.361 120.500 0.106 0.000 2.073 470 R HA -0.139 4.205 4.340 0.007 0.000 0.234 470 R C 2.231 178.541 176.300 0.016 0.000 1.134 470 R CA 1.199 57.305 56.100 0.009 0.000 0.952 470 R CB -0.305 29.995 30.300 -0.000 0.000 0.850 470 R HN 0.186 nan 8.270 nan 0.000 0.433 471 I N 0.307 120.907 120.570 0.050 0.000 2.226 471 I HA -0.287 3.887 4.170 0.007 0.000 0.245 471 I C 2.260 178.420 176.117 0.072 0.000 1.100 471 I CA 1.023 62.347 61.300 0.040 0.000 1.374 471 I CB -0.343 37.681 38.000 0.039 0.000 1.057 471 I HN 0.142 nan 8.210 nan 0.000 0.413 472 F N 1.802 121.720 119.950 -0.053 0.000 2.134 472 F HA -0.205 4.325 4.527 0.005 0.000 0.299 472 F C 2.405 178.199 175.800 -0.012 0.000 1.097 472 F CA 1.283 59.245 58.000 -0.064 0.000 1.264 472 F CB -0.614 38.300 39.000 -0.143 0.000 1.001 472 F HN 0.015 nan 8.300 nan 0.000 0.479 473 A N 0.275 123.043 122.820 -0.087 0.000 1.902 473 A HA -0.215 4.109 4.320 0.007 0.000 0.217 473 A C 2.151 179.600 177.584 -0.226 0.000 1.181 473 A CA 1.691 53.606 52.037 -0.203 0.000 0.623 473 A CB -0.884 18.015 19.000 -0.170 0.000 0.818 473 A HN 0.600 nan 8.150 nan 0.000 0.443 474 Q N -0.607 119.101 119.800 -0.153 0.000 2.112 474 Q HA -0.229 4.115 4.340 0.007 0.000 0.206 474 Q C 2.355 178.244 176.000 -0.185 0.000 0.987 474 Q CA 1.664 57.383 55.803 -0.140 0.000 0.858 474 Q CB -0.269 28.416 28.738 -0.088 0.000 0.905 474 Q HN 0.621 nan 8.270 nan 0.000 0.420 475 R N 0.437 120.807 120.500 -0.215 0.000 2.080 475 R HA -0.135 4.209 4.340 0.007 0.000 0.236 475 R C 2.428 178.436 176.300 -0.486 0.000 1.137 475 R CA 1.364 57.247 56.100 -0.363 0.000 0.943 475 R CB -0.389 29.766 30.300 -0.241 0.000 0.846 475 R HN 0.238 nan 8.270 nan 0.000 0.431 476 L N 0.045 121.077 121.223 -0.318 0.000 2.017 476 L HA -0.205 4.139 4.340 0.007 0.000 0.208 476 L C 2.600 179.406 176.870 -0.108 0.000 1.073 476 L CA 1.394 56.142 54.840 -0.153 0.000 0.745 476 L CB -0.424 41.379 42.059 -0.427 0.000 0.894 476 L HN 0.243 nan 8.230 nan 0.000 0.432 477 M N -0.561 118.919 119.600 -0.201 0.000 2.106 477 M HA -0.231 4.253 4.480 0.007 0.000 0.259 477 M C 2.335 178.621 176.300 -0.023 0.000 1.068 477 M CA 1.711 56.934 55.300 -0.127 0.000 1.100 477 M CB -0.378 32.136 32.600 -0.143 0.000 1.351 477 M HN 0.114 nan 8.290 nan 0.000 0.404 478 K N -0.458 119.891 120.400 -0.085 0.000 2.097 478 K HA -0.134 4.190 4.320 0.007 0.000 0.205 478 K C 1.874 178.516 176.600 0.070 0.000 1.050 478 K CA 1.452 57.704 56.287 -0.059 0.000 0.938 478 K CB -0.234 32.179 32.500 -0.146 0.000 0.718 478 K HN 0.325 nan 8.250 nan 0.000 0.442 479 Y N -0.015 120.415 120.300 0.216 0.000 2.089 479 Y HA -0.212 4.344 4.550 0.009 0.000 0.282 479 Y C 2.421 178.498 175.900 0.294 0.000 1.139 479 Y CA 0.789 59.071 58.100 0.304 0.000 1.123 479 Y CB -0.961 37.838 38.460 0.565 0.000 0.980 479 Y HN 0.185 nan 8.280 nan 0.000 0.493 480 W N 0.691 122.080 121.300 0.147 0.000 2.318 480 W HA -0.270 4.393 4.660 0.005 0.000 0.313 480 W C 2.496 179.033 176.519 0.029 0.000 1.221 480 W CA 2.256 59.625 57.345 0.041 0.000 1.266 480 W CB -0.688 28.724 29.460 -0.079 0.000 1.150 480 W HN 0.257 nan 8.180 nan 0.000 0.496 481 T N -2.436 112.237 114.554 0.200 0.000 2.942 481 T HA -0.113 4.241 4.350 0.007 0.000 0.265 481 T C 1.434 176.169 174.700 0.058 0.000 1.062 481 T CA 1.112 63.257 62.100 0.075 0.000 1.139 481 T CB -0.631 68.254 68.868 0.028 0.000 0.883 481 T HN -0.086 nan 8.240 nan 0.000 0.468 482 N N 1.000 119.751 118.700 0.086 0.000 2.104 482 N HA -0.020 4.724 4.740 0.007 0.000 0.190 482 N C 1.335 176.858 175.510 0.020 0.000 1.024 482 N CA 0.972 54.053 53.050 0.052 0.000 0.853 482 N CB -0.686 37.849 38.487 0.080 0.000 1.008 482 N HN 0.477 nan 8.380 nan 0.000 0.424 483 F N 1.448 121.333 119.950 -0.107 0.000 2.134 483 F HA -0.088 4.443 4.527 0.007 0.000 0.299 483 F C 2.116 177.850 175.800 -0.111 0.000 1.097 483 F CA 1.259 59.150 58.000 -0.183 0.000 1.264 483 F CB -0.395 38.413 39.000 -0.320 0.000 1.001 483 F HN 0.035 nan 8.300 nan 0.000 0.479 484 A N 0.610 123.376 122.820 -0.090 0.000 1.845 484 A HA -0.194 4.131 4.320 0.007 0.000 0.215 484 A C 2.388 179.871 177.584 -0.170 0.000 1.195 484 A CA 1.756 53.710 52.037 -0.139 0.000 0.616 484 A CB -0.925 18.053 19.000 -0.035 0.000 0.832 484 A HN 0.400 nan 8.150 nan 0.000 0.443 485 R N -1.163 119.275 120.500 -0.104 0.000 2.096 485 R HA -0.159 4.185 4.340 0.007 0.000 0.240 485 R C 2.191 178.415 176.300 -0.125 0.000 1.139 485 R CA 2.256 58.303 56.100 -0.089 0.000 0.952 485 R CB -0.268 30.003 30.300 -0.047 0.000 0.854 485 R HN 0.776 nan 8.270 nan 0.000 0.436 486 T N -6.318 108.137 114.554 -0.166 0.000 2.954 486 T HA 0.248 4.602 4.350 0.007 0.000 0.252 486 T C 1.139 175.717 174.700 -0.204 0.000 0.983 486 T CA 0.493 62.507 62.100 -0.144 0.000 0.941 486 T CB 1.360 70.181 68.868 -0.079 0.000 1.141 486 T HN 0.357 nan 8.240 nan 0.000 0.500 487 G N 1.244 109.801 108.800 -0.405 0.000 2.157 487 G HA2 -0.137 3.827 3.960 0.007 0.000 0.248 487 G HA3 -0.137 3.827 3.960 0.007 0.000 0.248 487 G C -0.395 174.422 174.900 -0.139 0.000 0.979 487 G CA 0.127 44.926 45.100 -0.501 0.000 0.650 487 G HN 0.810 nan 8.290 nan 0.000 0.529 488 D N -0.549 119.783 120.400 -0.113 0.000 2.788 488 D HA 0.491 5.135 4.640 0.007 0.000 0.247 488 D C -1.359 174.827 176.300 -0.189 0.000 1.236 488 D CA -1.722 52.199 54.000 -0.132 0.000 0.898 488 D CB 2.216 43.000 40.800 -0.026 0.000 1.401 488 D HN -0.015 nan 8.370 nan 0.000 0.549 489 P HA -0.032 nan 4.420 nan 0.000 0.233 489 P C 0.111 177.441 177.300 0.050 0.000 1.167 489 P CA 0.105 63.062 63.100 -0.237 0.000 0.770 489 P CB 0.455 31.698 31.700 -0.762 0.000 0.837 490 N N 1.095 119.779 118.700 -0.026 0.000 2.467 490 N HA 0.035 4.779 4.740 0.007 0.000 0.262 490 N C -0.050 175.528 175.510 0.113 0.000 1.234 490 N CA 0.323 53.450 53.050 0.129 0.000 0.952 490 N CB 0.555 39.108 38.487 0.110 0.000 1.158 490 N HN 0.025 nan 8.380 nan 0.000 0.463 491 D N 0.776 121.254 120.400 0.131 0.000 2.280 491 D HA 0.186 4.830 4.640 0.007 0.000 0.243 491 D C -1.524 174.817 176.300 0.068 0.000 1.129 491 D CA -1.717 52.335 54.000 0.086 0.000 0.848 491 D CB 1.663 42.511 40.800 0.080 0.000 1.107 491 D HN 0.211 nan 8.370 nan 0.000 0.471 492 P HA -0.106 nan 4.420 nan 0.000 0.214 492 P C 1.129 178.453 177.300 0.040 0.000 1.163 492 P CA 1.186 64.310 63.100 0.041 0.000 0.883 492 P CB 0.396 32.112 31.700 0.028 0.000 0.788 493 R N -0.790 119.731 120.500 0.036 0.000 2.075 493 R HA -0.025 4.319 4.340 0.007 0.000 0.232 493 R C 1.190 177.513 176.300 0.038 0.000 1.126 493 R CA 0.683 56.803 56.100 0.032 0.000 0.963 493 R CB -1.044 29.271 30.300 0.026 0.000 0.858 493 R HN 0.238 nan 8.270 nan 0.000 0.435 494 D N 0.018 120.446 120.400 0.047 0.000 2.390 494 D HA 0.002 4.646 4.640 0.007 0.000 0.236 494 D C -0.526 175.809 176.300 0.059 0.000 1.189 494 D CA 0.815 54.847 54.000 0.054 0.000 0.887 494 D CB 0.909 41.749 40.800 0.067 0.000 1.198 494 D HN -0.060 nan 8.370 nan 0.000 0.444 495 S N 0.308 116.042 115.700 0.057 0.000 2.680 495 S HA 0.389 4.863 4.470 0.007 0.000 0.140 495 S C -1.123 173.510 174.600 0.054 0.000 1.357 495 S CA 0.243 58.475 58.200 0.054 0.000 1.201 495 S CB -0.649 62.577 63.200 0.042 0.000 1.547 495 S HN 0.732 nan 8.310 nan 0.000 0.411 496 K N 0.471 120.910 120.400 0.065 0.000 5.393 496 K HA -0.083 4.241 4.320 0.007 0.000 0.381 496 K C 0.131 176.764 176.600 0.055 0.000 1.015 496 K CA 0.917 57.241 56.287 0.062 0.000 1.190 496 K CB -2.792 29.739 32.500 0.052 0.000 1.752 496 K HN 1.600 nan 8.250 nan 0.000 0.409 497 S N 0.619 116.357 115.700 0.063 0.000 3.798 497 S HA -0.055 4.419 4.470 0.007 0.000 0.351 497 S C -1.477 173.185 174.600 0.102 0.000 0.789 497 S CA 0.386 58.639 58.200 0.088 0.000 1.322 497 S CB -0.411 62.848 63.200 0.098 0.000 1.663 497 S HN 0.931 nan 8.310 nan 0.000 0.521 498 P HA 0.164 nan 4.420 nan 0.000 0.268 498 P C -0.069 177.314 177.300 0.138 0.000 1.204 498 P CA -0.223 62.934 63.100 0.095 0.000 0.768 498 P CB 0.473 32.213 31.700 0.065 0.000 0.842 499 Q N 1.200 121.086 119.800 0.143 0.000 2.299 499 Q HA 0.171 4.515 4.340 0.007 0.000 0.246 499 Q C -0.645 175.512 176.000 0.261 0.000 0.935 499 Q CA 0.061 55.983 55.803 0.199 0.000 0.887 499 Q CB 0.838 29.679 28.738 0.172 0.000 1.223 499 Q HN 0.558 nan 8.270 nan 0.000 0.439 500 W N 5.891 127.246 121.300 0.091 0.000 2.308 500 W HA 0.348 5.011 4.660 0.005 0.000 0.311 500 W C -2.480 174.180 176.519 0.236 0.000 1.088 500 W CA -2.564 54.843 57.345 0.105 0.000 1.309 500 W CB 0.605 30.059 29.460 -0.011 0.000 1.229 500 W HN 0.368 nan 8.180 nan 0.000 0.427 501 P HA 0.302 nan 4.420 nan 0.000 0.282 501 P C -2.624 174.913 177.300 0.394 0.000 1.249 501 P CA -1.854 61.492 63.100 0.410 0.000 0.806 501 P CB 0.956 32.804 31.700 0.247 0.000 0.984 502 P HA 0.004 nan 4.420 nan 0.000 0.266 502 P C -0.601 176.701 177.300 0.002 0.000 1.195 502 P CA 0.278 63.203 63.100 -0.291 0.000 0.768 502 P CB -0.009 31.508 31.700 -0.305 0.000 0.838 503 Y N 3.350 123.599 120.300 -0.085 0.000 2.436 503 Y HA 0.286 4.843 4.550 0.011 0.000 0.336 503 Y C 0.470 176.363 175.900 -0.010 0.000 1.049 503 Y CA 0.427 58.542 58.100 0.025 0.000 1.294 503 Y CB 0.094 38.588 38.460 0.057 0.000 1.179 503 Y HN 0.370 nan 8.280 nan 0.000 0.520 504 T N 0.247 114.531 114.554 -0.450 0.000 2.930 504 T HA 0.266 4.620 4.350 0.007 0.000 0.290 504 T C 1.060 175.485 174.700 -0.458 0.000 1.052 504 T CA -0.172 61.745 62.100 -0.305 0.000 1.017 504 T CB 1.343 70.118 68.868 -0.156 0.000 1.137 504 T HN 0.637 nan 8.240 nan 0.000 0.511 505 T N -0.871 113.569 114.554 -0.190 0.000 2.821 505 T HA -0.004 4.350 4.350 0.007 0.000 0.267 505 T C 2.346 176.981 174.700 -0.108 0.000 1.046 505 T CA 0.936 62.965 62.100 -0.118 0.000 1.139 505 T CB -0.961 67.901 68.868 -0.011 0.000 0.871 505 T HN 0.847 nan 8.240 nan 0.000 0.454 506 A N 1.701 124.467 122.820 -0.090 0.000 1.908 506 A HA 0.365 4.689 4.320 0.007 0.000 0.218 506 A C 2.564 180.106 177.584 -0.070 0.000 1.181 506 A CA 2.000 54.002 52.037 -0.059 0.000 0.627 506 A CB -0.980 17.996 19.000 -0.040 0.000 0.818 506 A HN 0.856 nan 8.150 nan 0.000 0.445 507 A N -3.009 119.740 122.820 -0.119 0.000 2.226 507 A HA 0.366 4.690 4.320 0.007 0.000 0.207 507 A C 0.850 178.364 177.584 -0.117 0.000 1.293 507 A CA 0.827 52.812 52.037 -0.087 0.000 0.968 507 A CB 0.052 19.018 19.000 -0.056 0.000 1.044 507 A HN 0.457 nan 8.150 nan 0.000 0.493 508 Q N 0.022 119.629 119.800 -0.322 0.000 2.461 508 Q HA -0.247 4.097 4.340 0.007 0.000 0.273 508 Q C -0.460 175.584 176.000 0.074 0.000 1.163 508 Q CA 0.849 56.416 55.803 -0.394 0.000 0.929 508 Q CB -1.904 26.811 28.738 -0.039 0.000 1.334 508 Q HN 0.837 nan 8.270 nan 0.000 0.499 509 Q N 0.236 120.063 119.800 0.045 0.000 2.364 509 Q HA 0.346 4.690 4.340 0.007 0.000 0.267 509 Q C -0.335 175.955 176.000 0.483 0.000 0.999 509 Q CA 0.495 56.417 55.803 0.198 0.000 0.886 509 Q CB 0.363 29.170 28.738 0.115 0.000 1.243 509 Q HN 0.345 nan 8.270 nan 0.000 0.415 510 Y N -1.966 118.479 120.300 0.243 0.000 2.656 510 Y HA 0.633 5.195 4.550 0.019 0.000 0.334 510 Y C -1.263 174.672 175.900 0.058 0.000 1.179 510 Y CA -1.549 56.698 58.100 0.246 0.000 1.050 510 Y CB 0.438 39.042 38.460 0.241 0.000 1.308 510 Y HN 0.347 nan 8.280 nan 0.000 0.456 511 V N -0.041 119.828 119.914 -0.074 0.000 2.732 511 V HA 0.860 4.984 4.120 0.007 0.000 0.310 511 V C -0.138 175.879 176.094 -0.128 0.000 1.053 511 V CA -0.450 61.640 62.300 -0.350 0.000 0.957 511 V CB 1.303 32.608 31.823 -0.863 0.000 1.018 511 V HN 1.191 nan 8.190 nan 0.000 0.452 512 S N 3.881 119.499 115.700 -0.137 0.000 2.475 512 S HA 0.698 5.172 4.470 0.007 0.000 0.281 512 S C -0.499 174.068 174.600 -0.054 0.000 1.198 512 S CA -0.695 57.495 58.200 -0.016 0.000 1.063 512 S CB 0.605 63.788 63.200 -0.029 0.000 0.972 512 S HN 0.747 nan 8.310 nan 0.000 0.486 513 L N 4.267 125.503 121.223 0.021 0.000 2.262 513 L HA 0.525 4.869 4.340 0.007 0.000 0.288 513 L C -0.226 176.565 176.870 -0.132 0.000 1.035 513 L CA -0.436 54.435 54.840 0.052 0.000 0.820 513 L CB -0.036 42.141 42.059 0.198 0.000 1.204 513 L HN 0.920 nan 8.230 nan 0.000 0.424 514 N N 2.131 120.712 118.700 -0.197 0.000 3.364 514 N HA 0.326 5.070 4.740 0.007 0.000 0.294 514 N C 0.149 175.174 175.510 -0.809 0.000 1.562 514 N CA -0.979 51.691 53.050 -0.632 0.000 0.862 514 N CB 0.639 38.908 38.487 -0.363 0.000 1.691 514 N HN 0.210 nan 8.380 nan 0.000 0.572 515 L N -0.856 119.868 121.223 -0.832 0.000 2.362 515 L HA 0.077 4.421 4.340 0.007 0.000 0.219 515 L C 0.501 177.206 176.870 -0.276 0.000 1.134 515 L CA 0.906 55.359 54.840 -0.644 0.000 0.807 515 L CB -0.521 41.220 42.059 -0.530 0.000 0.927 515 L HN 0.357 nan 8.230 nan 0.000 0.447 516 K N 0.309 120.586 120.400 -0.206 0.000 2.098 516 K HA 0.314 4.638 4.320 0.007 0.000 0.257 516 K C -2.181 174.392 176.600 -0.046 0.000 0.999 516 K CA -1.928 54.299 56.287 -0.100 0.000 0.924 516 K CB 0.147 32.596 32.500 -0.086 0.000 1.028 516 K HN -0.211 nan 8.250 nan 0.000 0.466 517 P HA 0.029 nan 4.420 nan 0.000 0.272 517 P C -0.387 176.923 177.300 0.016 0.000 1.240 517 P CA -0.328 62.792 63.100 0.034 0.000 0.791 517 P CB 0.357 32.078 31.700 0.035 0.000 0.978 518 L N 0.772 122.017 121.223 0.036 0.000 2.601 518 L HA -0.043 4.301 4.340 0.007 0.000 0.277 518 L C 1.130 177.967 176.870 -0.056 0.000 1.219 518 L CA 0.655 55.471 54.840 -0.040 0.000 0.915 518 L CB -0.516 41.507 42.059 -0.061 0.000 1.160 518 L HN 0.505 nan 8.230 nan 0.000 0.494 519 E N 3.542 123.687 120.200 -0.093 0.000 2.166 519 E HA 0.416 4.770 4.350 0.007 0.000 0.275 519 E C -1.225 175.285 176.600 -0.150 0.000 0.941 519 E CA -0.808 55.536 56.400 -0.093 0.000 0.784 519 E CB 1.791 31.444 29.700 -0.079 0.000 1.115 519 E HN 0.310 nan 8.360 nan 0.000 0.399 520 V N 5.176 125.013 119.914 -0.128 0.000 2.498 520 V HA 0.395 4.519 4.120 0.007 0.000 0.279 520 V C 0.317 176.276 176.094 -0.224 0.000 1.048 520 V CA -0.285 61.916 62.300 -0.164 0.000 0.967 520 V CB 0.991 32.774 31.823 -0.066 0.000 0.988 520 V HN 0.717 nan 8.190 nan 0.000 0.473 521 R N 3.771 124.013 120.500 -0.430 0.000 2.892 521 R HA 0.759 5.103 4.340 0.007 0.000 0.265 521 R C -0.989 175.113 176.300 -0.331 0.000 1.025 521 R CA -1.105 54.722 56.100 -0.455 0.000 0.982 521 R CB 2.402 32.290 30.300 -0.686 0.000 1.185 521 R HN 0.558 nan 8.270 nan 0.000 0.484 522 R N -0.054 120.410 120.500 -0.059 0.000 2.439 522 R HA 0.473 4.817 4.340 0.007 0.000 0.310 522 R C -0.810 175.640 176.300 0.250 0.000 0.955 522 R CA -0.183 55.980 56.100 0.105 0.000 0.853 522 R CB 2.175 32.507 30.300 0.053 0.000 1.171 522 R HN 0.918 nan 8.270 nan 0.000 0.449 523 G N 2.730 111.749 108.800 0.365 0.000 3.405 523 G HA2 -0.219 3.745 3.960 0.007 0.000 0.676 523 G HA3 -0.219 3.745 3.960 0.007 0.000 0.676 523 G C -0.852 174.270 174.900 0.371 0.000 1.039 523 G CA -0.927 44.361 45.100 0.314 0.000 0.855 523 G HN 0.543 nan 8.290 nan 0.000 0.443 524 L N 4.195 125.529 121.223 0.186 0.000 2.302 524 L HA 0.414 4.758 4.340 0.007 0.000 0.285 524 L C 1.454 178.345 176.870 0.035 0.000 1.090 524 L CA -0.943 53.837 54.840 -0.100 0.000 0.866 524 L CB 0.095 41.968 42.059 -0.310 0.000 1.244 524 L HN 0.718 nan 8.230 nan 0.000 0.435 525 R N 2.390 122.949 120.500 0.099 0.000 3.301 525 R HA -0.286 4.058 4.340 0.007 0.000 0.249 525 R C 1.224 177.616 176.300 0.154 0.000 0.964 525 R CA 0.592 56.777 56.100 0.142 0.000 0.653 525 R CB -2.046 28.346 30.300 0.154 0.000 1.043 525 R HN 0.839 nan 8.270 nan 0.000 0.454 526 A N 0.939 123.850 122.820 0.151 0.000 1.869 526 A HA -0.297 4.027 4.320 0.007 0.000 0.218 526 A C 2.099 179.770 177.584 0.145 0.000 1.203 526 A CA 1.619 53.742 52.037 0.144 0.000 0.638 526 A CB -0.183 18.896 19.000 0.132 0.000 0.831 526 A HN 0.482 nan 8.150 nan 0.000 0.450 527 Q N -0.955 118.928 119.800 0.138 0.000 2.020 527 Q HA -0.131 4.213 4.340 0.007 0.000 0.202 527 Q C 2.309 178.422 176.000 0.188 0.000 0.982 527 Q CA 2.109 57.997 55.803 0.143 0.000 0.838 527 Q CB -1.293 27.516 28.738 0.118 0.000 0.899 527 Q HN 0.682 nan 8.270 nan 0.000 0.423 528 T N 0.928 115.613 114.554 0.217 0.000 2.759 528 T HA -0.146 4.208 4.350 0.007 0.000 0.269 528 T C 2.056 176.938 174.700 0.304 0.000 1.042 528 T CA 1.307 63.551 62.100 0.241 0.000 1.140 528 T CB -0.297 68.751 68.868 0.299 0.000 0.864 528 T HN 0.330 nan 8.240 nan 0.000 0.455 529 c N 1.416 120.200 118.600 0.307 0.000 2.446 529 c HA 0.248 4.822 4.570 0.007 0.000 0.279 529 c C 3.133 177.379 174.090 0.260 0.000 1.366 529 c CA -0.076 56.454 56.329 0.335 0.000 1.763 529 c CB -1.409 41.237 42.510 0.226 0.000 1.929 529 c HN 0.647 nan 8.230 nan 0.000 0.509 530 A N 0.371 123.309 122.820 0.197 0.000 1.940 530 A HA -0.236 4.088 4.320 0.007 0.000 0.219 530 A C 1.874 179.551 177.584 0.154 0.000 1.176 530 A CA 1.804 53.934 52.037 0.155 0.000 0.631 530 A CB -0.843 18.234 19.000 0.129 0.000 0.814 530 A HN 0.560 nan 8.150 nan 0.000 0.446 531 F N -0.819 119.106 119.950 -0.042 0.000 2.069 531 F HA -0.214 4.316 4.527 0.005 0.000 0.298 531 F C 1.980 177.711 175.800 -0.114 0.000 1.113 531 F CA 2.067 59.952 58.000 -0.193 0.000 1.214 531 F CB -0.516 38.081 39.000 -0.671 0.000 0.978 531 F HN 0.389 nan 8.300 nan 0.000 0.474 532 W N 0.289 121.620 121.300 0.053 0.000 2.418 532 W HA -0.076 4.586 4.660 0.004 0.000 0.292 532 W C 2.136 178.623 176.519 -0.053 0.000 1.213 532 W CA 0.802 58.128 57.345 -0.031 0.000 1.283 532 W CB -0.517 29.039 29.460 0.159 0.000 1.119 532 W HN -0.041 nan 8.180 nan 0.000 0.542 533 N N -0.361 118.467 118.700 0.213 0.000 2.409 533 N HA 0.043 4.787 4.740 0.007 0.000 0.174 533 N C 1.465 177.008 175.510 0.056 0.000 1.037 533 N CA 0.857 53.978 53.050 0.120 0.000 0.898 533 N CB -0.104 38.453 38.487 0.117 0.000 1.010 533 N HN 0.200 nan 8.380 nan 0.000 0.445 534 R N -1.540 118.991 120.500 0.051 0.000 2.243 534 R HA 0.256 4.600 4.340 0.007 0.000 0.193 534 R C 1.315 177.632 176.300 0.027 0.000 0.933 534 R CA -0.022 56.104 56.100 0.044 0.000 1.105 534 R CB -0.045 30.302 30.300 0.079 0.000 1.169 534 R HN 0.019 nan 8.270 nan 0.000 0.599 535 F N 1.216 121.061 119.950 -0.176 0.000 2.148 535 F HA 0.100 4.632 4.527 0.007 0.000 0.285 535 F C 1.836 177.439 175.800 -0.329 0.000 1.092 535 F CA 1.003 58.853 58.000 -0.249 0.000 1.218 535 F CB -0.298 38.534 39.000 -0.280 0.000 1.059 535 F HN -0.161 nan 8.300 nan 0.000 0.490 536 L N 0.676 121.533 121.223 -0.611 0.000 2.051 536 L HA -0.217 4.127 4.340 0.007 0.000 0.214 536 L C -0.427 176.207 176.870 -0.393 0.000 1.076 536 L CA 2.111 56.585 54.840 -0.610 0.000 0.758 536 L CB -2.087 39.665 42.059 -0.511 0.000 0.890 536 L HN 0.148 nan 8.230 nan 0.000 0.433 537 P HA -0.214 nan 4.420 nan 0.000 0.215 537 P C 1.266 178.434 177.300 -0.220 0.000 1.157 537 P CA 1.561 64.560 63.100 -0.168 0.000 0.874 537 P CB -0.067 31.570 31.700 -0.104 0.000 0.790 538 K N -1.282 118.937 120.400 -0.302 0.000 2.362 538 K HA -0.052 4.272 4.320 0.007 0.000 0.200 538 K C 1.613 177.995 176.600 -0.363 0.000 1.046 538 K CA 0.655 56.763 56.287 -0.299 0.000 0.952 538 K CB -0.525 31.808 32.500 -0.279 0.000 0.753 538 K HN 0.109 nan 8.250 nan 0.000 0.466 539 L N 0.474 121.398 121.223 -0.499 0.000 2.554 539 L HA 0.027 4.371 4.340 0.007 0.000 0.226 539 L C 1.355 178.096 176.870 -0.216 0.000 1.137 539 L CA 0.979 55.587 54.840 -0.386 0.000 0.863 539 L CB 0.129 41.904 42.059 -0.473 0.000 0.985 539 L HN 0.037 nan 8.230 nan 0.000 0.451 540 L N -2.976 118.133 121.223 -0.190 0.000 2.500 540 L HA 0.143 4.487 4.340 0.007 0.000 0.219 540 L C 2.299 179.110 176.870 -0.099 0.000 1.057 540 L CA 0.414 55.183 54.840 -0.118 0.000 0.854 540 L CB -0.356 41.647 42.059 -0.092 0.000 1.078 540 L HN -0.057 nan 8.230 nan 0.000 0.480 541 S N 0.045 115.678 115.700 -0.112 0.000 2.370 541 S HA -0.193 4.281 4.470 0.007 0.000 0.226 541 S C 1.959 176.515 174.600 -0.073 0.000 1.033 541 S CA 1.715 59.863 58.200 -0.086 0.000 1.011 541 S CB -0.124 63.022 63.200 -0.090 0.000 0.852 541 S HN 0.507 nan 8.310 nan 0.000 0.457 542 A N -0.715 122.054 122.820 -0.086 0.000 2.013 542 A HA 0.601 4.925 4.320 0.007 0.000 0.204 542 A C 1.037 178.587 177.584 -0.056 0.000 1.262 542 A CA 1.208 53.206 52.037 -0.064 0.000 0.800 542 A CB -0.267 18.695 19.000 -0.063 0.000 0.909 542 A HN 0.542 nan 8.150 nan 0.000 0.472 543 T N 0.000 114.512 114.554 -0.069 0.000 3.816 543 T HA 0.000 4.354 4.350 0.007 0.000 0.228 543 T CA 0.000 62.068 62.100 -0.054 0.000 1.349 543 T CB 0.000 68.843 68.868 -0.042 0.000 0.612 543 T HN 0.000 nan 8.240 nan 0.000 0.658