REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 1maa_1_D DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcPPGGAG GNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DRKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT D 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.626 176.600 0.043 0.000 1.382 4 E CA 0.000 56.417 56.400 0.029 0.000 0.976 4 E CB 0.000 29.709 29.700 0.015 0.000 0.812 5 D N -0.325 120.111 120.400 0.061 0.000 2.342 5 D HA 0.096 4.736 4.640 -0.000 0.000 0.154 5 D C -2.498 173.868 176.300 0.110 0.000 1.159 5 D CA -0.641 53.417 54.000 0.097 0.000 1.206 5 D CB 0.914 41.786 40.800 0.119 0.000 1.872 5 D HN -0.235 nan 8.370 nan 0.000 0.617 6 P HA -0.146 nan 4.420 nan 0.000 0.224 6 P C 1.289 178.658 177.300 0.116 0.000 1.142 6 P CA 0.906 64.052 63.100 0.078 0.000 0.778 6 P CB 0.378 32.103 31.700 0.042 0.000 0.764 7 Q N -1.028 118.873 119.800 0.168 0.000 2.172 7 Q HA 0.044 4.384 4.340 -0.000 0.000 0.200 7 Q C 1.722 177.938 176.000 0.360 0.000 0.964 7 Q CA 1.044 57.001 55.803 0.257 0.000 0.855 7 Q CB -0.314 28.653 28.738 0.382 0.000 0.918 7 Q HN 0.390 nan 8.270 nan 0.000 0.444 8 L N 0.100 121.480 121.223 0.262 0.000 2.628 8 L HA 0.188 4.528 4.340 -0.000 0.000 0.229 8 L C 0.153 177.173 176.870 0.250 0.000 1.137 8 L CA -0.145 54.800 54.840 0.176 0.000 0.909 8 L CB 0.439 42.485 42.059 -0.022 0.000 1.137 8 L HN 0.022 nan 8.230 nan 0.000 0.470 9 L N 1.405 122.782 121.223 0.257 0.000 2.343 9 L HA 0.567 4.907 4.340 -0.000 0.000 0.278 9 L C -0.778 176.184 176.870 0.154 0.000 0.996 9 L CA -0.224 54.738 54.840 0.204 0.000 0.831 9 L CB 2.002 44.130 42.059 0.114 0.000 1.232 9 L HN -0.263 nan 8.230 nan 0.000 0.413 10 V N 4.326 124.327 119.914 0.144 0.000 2.760 10 V HA 0.512 4.632 4.120 -0.000 0.000 0.309 10 V C -0.221 175.850 176.094 -0.038 0.000 1.077 10 V CA -0.994 61.260 62.300 -0.077 0.000 0.910 10 V CB 2.568 34.123 31.823 -0.448 0.000 1.008 10 V HN 0.713 nan 8.190 nan 0.000 0.424 11 R N 3.066 123.505 120.500 -0.102 0.000 2.297 11 R HA 0.747 5.086 4.340 -0.000 0.000 0.308 11 R C -1.243 174.990 176.300 -0.112 0.000 1.029 11 R CA -0.082 55.973 56.100 -0.076 0.000 0.929 11 R CB 1.361 31.607 30.300 -0.089 0.000 1.046 11 R HN 0.503 nan 8.270 nan 0.000 0.461 12 V N 5.212 125.091 119.914 -0.060 0.000 3.001 12 V HA 0.378 4.497 4.120 -0.000 0.000 0.314 12 V C 1.347 177.357 176.094 -0.141 0.000 1.099 12 V CA -0.913 61.356 62.300 -0.051 0.000 0.989 12 V CB 1.921 33.874 31.823 0.216 0.000 1.040 12 V HN 0.916 nan 8.190 nan 0.000 0.434 13 R N 1.445 121.854 120.500 -0.152 0.000 2.226 13 R HA -0.168 4.172 4.340 -0.000 0.000 0.246 13 R C 1.585 177.773 176.300 -0.186 0.000 1.161 13 R CA 1.921 57.930 56.100 -0.152 0.000 0.997 13 R CB -0.182 30.034 30.300 -0.140 0.000 0.870 13 R HN 0.919 nan 8.270 nan 0.000 0.465 14 G N -2.081 106.549 108.800 -0.283 0.000 2.944 14 G HA2 0.394 4.354 3.960 -0.000 0.000 0.220 14 G HA3 0.394 4.354 3.960 -0.000 0.000 0.220 14 G C 0.164 174.295 174.900 -1.282 0.000 1.100 14 G CA 0.384 45.138 45.100 -0.578 0.000 0.780 14 G HN 0.552 nan 8.290 nan 0.000 0.539 15 G N -0.953 107.152 108.800 -1.157 0.000 2.327 15 G HA2 0.313 4.273 3.960 -0.000 0.000 0.291 15 G HA3 0.313 4.273 3.960 -0.000 0.000 0.291 15 G C -1.447 173.280 174.900 -0.288 0.000 1.290 15 G CA -0.884 43.560 45.100 -1.094 0.000 0.857 15 G HN 0.172 nan 8.290 nan 0.000 0.520 16 Q N -0.698 119.131 119.800 0.049 0.000 2.260 16 Q HA 0.721 5.061 4.340 -0.000 0.000 0.238 16 Q C -0.599 175.712 176.000 0.519 0.000 0.948 16 Q CA -0.209 55.748 55.803 0.257 0.000 0.895 16 Q CB 1.810 30.649 28.738 0.168 0.000 1.218 16 Q HN 0.439 nan 8.270 nan 0.000 0.470 17 L N 0.803 122.258 121.223 0.386 0.000 2.393 17 L HA 0.602 4.942 4.340 -0.000 0.000 0.260 17 L C -0.615 176.462 176.870 0.346 0.000 1.002 17 L CA -0.809 54.276 54.840 0.408 0.000 0.818 17 L CB 2.425 44.801 42.059 0.529 0.000 1.369 17 L HN 0.488 nan 8.230 nan 0.000 0.412 18 R N 0.783 121.431 120.500 0.246 0.000 2.435 18 R HA 0.665 5.005 4.340 -0.000 0.000 0.308 18 R C -0.505 175.742 176.300 -0.089 0.000 0.975 18 R CA -0.344 55.820 56.100 0.106 0.000 0.867 18 R CB 1.617 31.942 30.300 0.041 0.000 1.171 18 R HN 0.797 nan 8.270 nan 0.000 0.470 19 G N 3.411 111.957 108.800 -0.422 0.000 2.532 19 G HA2 0.448 4.407 3.960 -0.000 0.000 0.291 19 G HA3 0.448 4.407 3.960 -0.000 0.000 0.291 19 G C -0.868 173.705 174.900 -0.546 0.000 1.349 19 G CA -0.806 43.727 45.100 -0.945 0.000 1.038 19 G HN 0.613 nan 8.290 nan 0.000 0.518 20 I N -1.246 119.006 120.570 -0.530 0.000 2.785 20 I HA 0.582 4.752 4.170 -0.000 0.000 0.302 20 I C -0.482 175.437 176.117 -0.331 0.000 1.069 20 I CA -1.275 59.816 61.300 -0.348 0.000 1.045 20 I CB 2.263 40.088 38.000 -0.290 0.000 1.236 20 I HN 0.360 nan 8.210 nan 0.000 0.429 21 R N 5.878 126.207 120.500 -0.286 0.000 2.233 21 R HA 0.435 4.775 4.340 -0.000 0.000 0.334 21 R C -1.450 174.714 176.300 -0.226 0.000 1.037 21 R CA -0.731 55.179 56.100 -0.315 0.000 0.920 21 R CB 0.604 30.631 30.300 -0.455 0.000 1.137 21 R HN 0.467 nan 8.270 nan 0.000 0.492 22 L N 3.253 124.376 121.223 -0.165 0.000 2.418 22 L HA 0.319 4.659 4.340 -0.000 0.000 0.265 22 L C 0.284 177.100 176.870 -0.090 0.000 1.143 22 L CA 0.267 55.044 54.840 -0.106 0.000 0.809 22 L CB 0.894 42.923 42.059 -0.049 0.000 1.124 22 L HN 0.342 nan 8.230 nan 0.000 0.456 23 K N 1.755 122.110 120.400 -0.074 0.000 2.389 23 K HA 0.661 4.981 4.320 -0.000 0.000 0.261 23 K C -0.711 175.858 176.600 -0.053 0.000 1.014 23 K CA -0.428 55.827 56.287 -0.053 0.000 0.920 23 K CB 1.380 33.857 32.500 -0.039 0.000 1.149 23 K HN 0.731 nan 8.250 nan 0.000 0.444 24 A N 4.012 126.796 122.820 -0.061 0.000 2.286 24 A HA 0.382 4.702 4.320 -0.000 0.000 0.286 24 A C -1.760 175.844 177.584 0.033 0.000 1.097 24 A CA -1.424 50.566 52.037 -0.079 0.000 0.821 24 A CB 0.219 19.134 19.000 -0.143 0.000 1.076 24 A HN 0.454 nan 8.150 nan 0.000 0.490 25 P HA -0.155 nan 4.420 nan 0.000 0.216 25 P C 1.302 178.650 177.300 0.081 0.000 1.157 25 P CA 2.163 65.329 63.100 0.111 0.000 0.880 25 P CB 0.161 31.957 31.700 0.160 0.000 0.791 26 G N -2.401 106.451 108.800 0.087 0.000 3.141 26 G HA2 0.444 4.404 3.960 -0.000 0.000 0.218 26 G HA3 0.444 4.404 3.960 -0.000 0.000 0.218 26 G C 0.524 175.460 174.900 0.060 0.000 1.170 26 G CA 0.457 45.598 45.100 0.068 0.000 0.769 26 G HN 0.613 nan 8.290 nan 0.000 0.546 27 G N -0.389 108.444 108.800 0.055 0.000 2.362 27 G HA2 0.336 4.296 3.960 -0.000 0.000 0.288 27 G HA3 0.336 4.296 3.960 -0.000 0.000 0.288 27 G C -3.388 171.545 174.900 0.055 0.000 1.305 27 G CA -0.607 44.529 45.100 0.060 0.000 0.910 27 G HN 0.064 nan 8.290 nan 0.000 0.518 28 P HA 0.627 nan 4.420 nan 0.000 0.281 28 P C -0.748 176.630 177.300 0.130 0.000 1.249 28 P CA -0.408 62.739 63.100 0.078 0.000 0.810 28 P CB 2.018 33.807 31.700 0.148 0.000 1.008 29 V N 0.632 120.586 119.914 0.067 0.000 2.888 29 V HA 0.301 4.421 4.120 -0.000 0.000 0.309 29 V C 0.022 176.175 176.094 0.098 0.000 1.114 29 V CA -0.665 61.718 62.300 0.140 0.000 0.940 29 V CB 2.005 33.904 31.823 0.127 0.000 1.021 29 V HN 0.467 nan 8.190 nan 0.000 0.426 30 S N 2.576 118.410 115.700 0.224 0.000 2.499 30 S HA 0.787 5.256 4.470 -0.000 0.000 0.279 30 S C 0.082 174.776 174.600 0.155 0.000 1.219 30 S CA -0.260 58.051 58.200 0.185 0.000 1.062 30 S CB 1.361 64.844 63.200 0.471 0.000 0.978 30 S HN 1.193 nan 8.310 nan 0.000 0.489 31 A N 2.800 125.520 122.820 -0.167 0.000 2.343 31 A HA 0.775 5.095 4.320 -0.000 0.000 0.308 31 A C -1.138 176.131 177.584 -0.526 0.000 1.092 31 A CA -0.614 51.237 52.037 -0.310 0.000 0.751 31 A CB 0.432 19.160 19.000 -0.454 0.000 1.203 31 A HN 0.687 nan 8.150 nan 0.000 0.452 32 F N 3.486 123.272 119.950 -0.273 0.000 2.371 32 F HA 0.354 4.881 4.527 -0.000 0.000 0.343 32 F C -0.462 175.164 175.800 -0.290 0.000 1.150 32 F CA -0.761 57.147 58.000 -0.154 0.000 1.220 32 F CB 0.995 40.062 39.000 0.112 0.000 1.475 32 F HN 0.242 nan 8.300 nan 0.000 0.521 33 L N 1.528 122.552 121.223 -0.332 0.000 2.349 33 L HA 0.577 4.917 4.340 -0.000 0.000 0.275 33 L C 1.120 177.858 176.870 -0.220 0.000 1.115 33 L CA -0.604 53.995 54.840 -0.402 0.000 0.820 33 L CB 0.425 42.028 42.059 -0.760 0.000 1.135 33 L HN 0.753 nan 8.230 nan 0.000 0.445 34 G N 3.317 112.049 108.800 -0.115 0.000 2.142 34 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.225 34 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.225 34 G C 0.154 175.066 174.900 0.019 0.000 1.015 34 G CA -0.412 44.624 45.100 -0.106 0.000 0.716 34 G HN 0.495 nan 8.290 nan 0.000 0.508 35 I N 2.607 123.222 120.570 0.075 0.000 2.483 35 I HA 0.176 4.346 4.170 -0.000 0.000 0.291 35 I C -1.396 174.786 176.117 0.108 0.000 1.112 35 I CA -1.750 59.589 61.300 0.066 0.000 1.350 35 I CB 0.611 38.602 38.000 -0.014 0.000 1.419 35 I HN -0.021 nan 8.210 nan 0.000 0.523 36 P HA -0.064 nan 4.420 nan 0.000 0.265 36 P C 0.083 177.315 177.300 -0.113 0.000 1.222 36 P CA 0.150 63.162 63.100 -0.147 0.000 0.767 36 P CB 0.198 31.825 31.700 -0.123 0.000 0.801 37 F N 2.282 122.067 119.950 -0.275 0.000 2.749 37 F HA 0.650 5.177 4.527 -0.000 0.000 0.300 37 F C 0.268 176.047 175.800 -0.036 0.000 1.103 37 F CA -0.684 57.192 58.000 -0.208 0.000 1.342 37 F CB 0.192 38.932 39.000 -0.434 0.000 1.098 37 F HN 0.322 nan 8.300 nan 0.000 0.586 38 A N 0.004 122.505 122.820 -0.531 0.000 2.606 38 A HA 0.509 4.829 4.320 -0.000 0.000 0.293 38 A C -1.010 176.377 177.584 -0.328 0.000 1.082 38 A CA -0.843 50.986 52.037 -0.347 0.000 0.685 38 A CB 0.898 19.635 19.000 -0.438 0.000 1.284 38 A HN 0.065 nan 8.150 nan 0.000 0.408 39 E N 1.483 121.584 120.200 -0.165 0.000 2.324 39 E HA 0.247 4.597 4.350 -0.000 0.000 0.271 39 E C -2.305 174.189 176.600 -0.177 0.000 1.028 39 E CA -1.309 55.015 56.400 -0.126 0.000 0.890 39 E CB 0.244 29.914 29.700 -0.050 0.000 1.004 39 E HN 0.229 nan 8.360 nan 0.000 0.431 40 P HA -0.077 nan 4.420 nan 0.000 0.257 40 P C -2.042 175.174 177.300 -0.141 0.000 1.162 40 P CA -0.376 62.617 63.100 -0.178 0.000 0.762 40 P CB 0.044 31.675 31.700 -0.116 0.000 0.753 41 P HA -0.010 nan 4.420 nan 0.000 0.249 41 P C 0.092 177.309 177.300 -0.138 0.000 1.593 41 P CA 0.129 63.153 63.100 -0.127 0.000 0.896 41 P CB -0.141 31.486 31.700 -0.121 0.000 1.581 42 V N -3.652 116.183 119.914 -0.132 0.000 3.295 42 V HA 0.764 4.884 4.120 -0.000 0.000 0.308 42 V C 1.247 177.268 176.094 -0.123 0.000 1.068 42 V CA 0.271 62.488 62.300 -0.139 0.000 1.062 42 V CB -0.022 31.729 31.823 -0.120 0.000 1.162 42 V HN 0.459 nan 8.190 nan 0.000 0.456 43 G N 1.770 110.496 108.800 -0.123 0.000 2.596 43 G HA2 -0.329 3.630 3.960 -0.000 0.000 0.304 43 G HA3 -0.329 3.630 3.960 -0.000 0.000 0.304 43 G C 0.998 175.835 174.900 -0.104 0.000 1.189 43 G CA 1.509 46.550 45.100 -0.098 0.000 0.986 43 G HN 2.341 nan 8.290 nan 0.000 0.548 44 S N 0.050 115.707 115.700 -0.072 0.000 2.631 44 S HA 0.323 4.793 4.470 -0.000 0.000 0.217 44 S C 1.773 176.339 174.600 -0.057 0.000 0.958 44 S CA 1.200 59.366 58.200 -0.055 0.000 0.920 44 S CB 0.532 63.716 63.200 -0.028 0.000 0.776 44 S HN 0.546 nan 8.310 nan 0.000 0.517 45 R N 1.793 122.244 120.500 -0.081 0.000 2.334 45 R HA 0.334 4.674 4.340 -0.000 0.000 0.216 45 R C 0.746 176.978 176.300 -0.113 0.000 0.905 45 R CA -0.277 55.779 56.100 -0.074 0.000 1.064 45 R CB -0.307 29.950 30.300 -0.072 0.000 1.046 45 R HN 0.468 nan 8.270 nan 0.000 0.508 46 R N 0.351 120.727 120.500 -0.207 0.000 2.537 46 R HA -0.046 4.294 4.340 -0.000 0.000 0.280 46 R C -0.401 175.658 176.300 -0.402 0.000 1.058 46 R CA 0.363 56.224 56.100 -0.399 0.000 1.057 46 R CB 0.121 30.038 30.300 -0.639 0.000 0.973 46 R HN 0.159 nan 8.270 nan 0.000 0.438 47 F N -0.597 119.349 119.950 -0.007 0.000 2.656 47 F HA -0.263 4.264 4.527 -0.000 0.000 0.381 47 F C -0.090 175.686 175.800 -0.040 0.000 0.603 47 F CA 0.383 58.358 58.000 -0.042 0.000 1.335 47 F CB -1.495 37.474 39.000 -0.052 0.000 1.836 47 F HN 0.456 nan 8.300 nan 0.000 0.290 48 M N 0.946 120.599 119.600 0.089 0.000 2.342 48 M HA 0.422 4.902 4.480 -0.000 0.000 0.332 48 M C -1.888 174.430 176.300 0.030 0.000 1.166 48 M CA -1.749 53.583 55.300 0.054 0.000 1.086 48 M CB 0.494 33.109 32.600 0.025 0.000 1.541 48 M HN -0.339 nan 8.290 nan 0.000 0.462 49 P HA 0.141 nan 4.420 nan 0.000 0.269 49 P C -2.377 174.943 177.300 0.034 0.000 1.215 49 P CA -0.535 62.591 63.100 0.043 0.000 0.780 49 P CB -0.457 31.279 31.700 0.061 0.000 0.898 50 P HA 0.182 nan 4.420 nan 0.000 0.274 50 P C -0.667 176.657 177.300 0.041 0.000 1.237 50 P CA 0.090 63.205 63.100 0.025 0.000 0.793 50 P CB 0.985 32.718 31.700 0.056 0.000 0.977 51 E N 1.227 121.436 120.200 0.014 0.000 2.238 51 E HA 0.398 4.748 4.350 -0.000 0.000 0.267 51 E C -2.407 174.222 176.600 0.047 0.000 0.887 51 E CA -2.542 53.879 56.400 0.036 0.000 0.769 51 E CB 1.337 31.049 29.700 0.021 0.000 1.187 51 E HN 0.316 nan 8.360 nan 0.000 0.416 52 P HA -0.049 nan 4.420 nan 0.000 0.264 52 P C -0.864 176.506 177.300 0.117 0.000 1.193 52 P CA -0.216 62.967 63.100 0.138 0.000 0.763 52 P CB 0.364 32.154 31.700 0.150 0.000 0.810 53 K N 4.239 124.723 120.400 0.139 0.000 2.511 53 K HA -0.032 4.288 4.320 -0.000 0.000 0.280 53 K C 0.046 176.771 176.600 0.210 0.000 1.008 53 K CA 0.684 57.058 56.287 0.146 0.000 1.050 53 K CB 0.086 32.708 32.500 0.203 0.000 0.889 53 K HN 0.306 nan 8.250 nan 0.000 0.484 54 R N 4.823 125.429 120.500 0.177 0.000 2.582 54 R HA 0.219 4.559 4.340 -0.000 0.000 0.271 54 R C -1.974 174.484 176.300 0.263 0.000 1.078 54 R CA -1.729 54.472 56.100 0.168 0.000 1.127 54 R CB 0.212 30.582 30.300 0.117 0.000 1.038 54 R HN 0.574 nan 8.270 nan 0.000 0.500 55 P HA -0.057 nan 4.420 nan 0.000 0.268 55 P C -1.273 176.126 177.300 0.165 0.000 1.208 55 P CA 0.035 63.151 63.100 0.027 0.000 0.777 55 P CB 0.322 31.962 31.700 -0.099 0.000 0.875 56 W N 0.711 122.050 121.300 0.065 0.000 2.781 56 W HA 0.672 5.332 4.660 -0.000 0.000 0.345 56 W C -0.693 175.855 176.519 0.047 0.000 1.085 56 W CA -1.044 56.335 57.345 0.056 0.000 1.198 56 W CB 0.236 29.737 29.460 0.068 0.000 1.423 56 W HN 0.366 nan 8.180 nan 0.000 0.532 57 S N 2.020 117.867 115.700 0.244 0.000 2.586 57 S HA 0.777 5.247 4.470 -0.000 0.000 0.274 57 S C 0.571 175.298 174.600 0.212 0.000 1.281 57 S CA 0.145 58.429 58.200 0.140 0.000 1.035 57 S CB 0.792 64.055 63.200 0.105 0.000 0.962 57 S HN 2.134 nan 8.310 nan 0.000 0.512 58 G N 0.452 109.334 108.800 0.136 0.000 2.645 58 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.239 58 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.239 58 G C -0.647 174.388 174.900 0.226 0.000 1.331 58 G CA -0.327 44.862 45.100 0.148 0.000 0.890 58 G HN 1.626 nan 8.290 nan 0.000 0.572 59 V N 0.934 120.963 119.914 0.190 0.000 2.318 59 V HA 0.472 4.592 4.120 -0.000 0.000 0.271 59 V C 0.617 176.824 176.094 0.188 0.000 1.030 59 V CA -0.358 62.070 62.300 0.212 0.000 0.844 59 V CB 1.045 32.948 31.823 0.132 0.000 1.015 59 V HN 0.820 nan 8.190 nan 0.000 0.460 60 L N 5.385 126.758 121.223 0.250 0.000 2.410 60 L HA 0.269 4.609 4.340 -0.000 0.000 0.273 60 L C 0.548 177.422 176.870 0.006 0.000 1.144 60 L CA 0.576 55.419 54.840 0.005 0.000 0.863 60 L CB 0.572 42.404 42.059 -0.377 0.000 1.140 60 L HN 0.685 nan 8.230 nan 0.000 0.463 61 D N 4.276 124.647 120.400 -0.049 0.000 2.424 61 D HA 0.212 4.852 4.640 -0.000 0.000 0.244 61 D C -0.345 175.903 176.300 -0.087 0.000 1.134 61 D CA 0.523 54.488 54.000 -0.059 0.000 0.881 61 D CB 1.320 42.071 40.800 -0.082 0.000 1.191 61 D HN 0.741 nan 8.370 nan 0.000 0.445 62 A N 2.638 125.411 122.820 -0.078 0.000 2.573 62 A HA 0.102 4.421 4.320 -0.000 0.000 0.269 62 A C 0.855 178.317 177.584 -0.203 0.000 0.901 62 A CA -0.218 51.760 52.037 -0.098 0.000 1.066 62 A CB -0.143 18.893 19.000 0.061 0.000 1.221 62 A HN 0.563 nan 8.150 nan 0.000 0.483 63 T N -3.295 111.131 114.554 -0.213 0.000 3.144 63 T HA 0.338 4.688 4.350 -0.000 0.000 0.249 63 T C 0.502 175.031 174.700 -0.285 0.000 1.089 63 T CA 0.730 62.674 62.100 -0.261 0.000 0.989 63 T CB -0.027 68.721 68.868 -0.201 0.000 0.992 63 T HN 0.395 nan 8.240 nan 0.000 0.540 64 T N 0.152 114.532 114.554 -0.290 0.000 2.889 64 T HA 0.529 4.879 4.350 -0.000 0.000 0.315 64 T C -1.708 172.823 174.700 -0.282 0.000 1.291 64 T CA -0.818 61.108 62.100 -0.289 0.000 1.028 64 T CB 0.736 69.501 68.868 -0.173 0.000 1.235 64 T HN 0.058 nan 8.240 nan 0.000 0.491 65 F N 3.321 123.181 119.950 -0.150 0.000 2.538 65 F HA 0.329 4.855 4.527 -0.000 0.000 0.371 65 F C 1.352 177.051 175.800 -0.168 0.000 1.087 65 F CA -0.009 57.908 58.000 -0.138 0.000 1.250 65 F CB 0.639 39.583 39.000 -0.094 0.000 1.110 65 F HN 0.419 nan 8.300 nan 0.000 0.570 66 Q N 1.804 121.639 119.800 0.059 0.000 2.272 66 Q HA 0.188 4.528 4.340 -0.000 0.000 0.192 66 Q C -0.110 175.861 176.000 -0.048 0.000 1.059 66 Q CA -0.511 55.201 55.803 -0.152 0.000 1.084 66 Q CB 0.455 28.916 28.738 -0.462 0.000 1.139 66 Q HN 0.486 nan 8.270 nan 0.000 0.593 67 N N -0.525 118.133 118.700 -0.069 0.000 2.508 67 N HA 0.100 4.840 4.740 -0.000 0.000 0.264 67 N C -0.634 174.885 175.510 0.014 0.000 1.216 67 N CA -0.070 52.968 53.050 -0.020 0.000 0.943 67 N CB 0.525 39.006 38.487 -0.009 0.000 1.113 67 N HN 0.151 nan 8.380 nan 0.000 0.447 68 V N 1.658 121.550 119.914 -0.037 0.000 2.649 68 V HA 0.098 4.217 4.120 -0.000 0.000 0.292 68 V C 0.801 176.865 176.094 -0.051 0.000 1.055 68 V CA -0.772 61.487 62.300 -0.068 0.000 1.023 68 V CB 0.755 32.500 31.823 -0.129 0.000 0.992 68 V HN 0.703 nan 8.190 nan 0.000 0.480 69 c N 3.419 121.992 118.600 -0.045 0.000 2.745 69 c HA 0.120 4.690 4.570 -0.000 0.000 0.387 69 c C 0.424 174.462 174.090 -0.086 0.000 1.312 69 c CA -0.593 55.708 56.329 -0.047 0.000 2.204 69 c CB -0.633 41.868 42.510 -0.015 0.000 2.686 69 c HN 0.718 nan 8.230 nan 0.000 0.705 70 Y N 2.733 122.874 120.300 -0.265 0.000 2.569 70 Y HA 0.340 4.890 4.550 -0.000 0.000 0.332 70 Y C 0.668 176.617 175.900 0.082 0.000 1.120 70 Y CA 0.792 58.737 58.100 -0.260 0.000 1.416 70 Y CB -0.031 37.994 38.460 -0.726 0.000 1.210 70 Y HN 0.721 nan 8.280 nan 0.000 0.528 71 Q N 3.768 123.397 119.800 -0.285 0.000 2.575 71 Q HA 0.267 4.607 4.340 -0.000 0.000 0.290 71 Q C -1.763 174.257 176.000 0.034 0.000 0.963 71 Q CA -1.264 54.571 55.803 0.053 0.000 0.783 71 Q CB 1.470 30.248 28.738 0.068 0.000 1.467 71 Q HN 0.593 nan 8.270 nan 0.000 0.402 72 Y N 1.000 121.397 120.300 0.161 0.000 2.480 72 Y HA 0.383 4.933 4.550 -0.000 0.000 0.338 72 Y C -1.028 174.985 175.900 0.189 0.000 1.220 72 Y CA 0.225 58.454 58.100 0.214 0.000 1.430 72 Y CB 0.929 39.633 38.460 0.407 0.000 1.311 72 Y HN 0.459 nan 8.280 nan 0.000 0.575 73 V N 6.039 125.700 119.914 -0.421 0.000 2.513 73 V HA 0.137 4.256 4.120 -0.000 0.000 0.299 73 V C -0.713 175.165 176.094 -0.360 0.000 1.035 73 V CA -1.076 61.085 62.300 -0.231 0.000 0.889 73 V CB 1.644 33.351 31.823 -0.194 0.000 0.988 73 V HN 0.768 nan 8.190 nan 0.000 0.440 74 D N 2.620 123.086 120.400 0.110 0.000 2.371 74 D HA 0.284 4.924 4.640 -0.000 0.000 0.256 74 D C 0.940 177.315 176.300 0.126 0.000 1.193 74 D CA 0.384 54.556 54.000 0.287 0.000 0.881 74 D CB 1.132 42.200 40.800 0.446 0.000 1.143 74 D HN 0.777 nan 8.370 nan 0.000 0.473 75 T N 1.035 115.652 114.554 0.106 0.000 3.145 75 T HA 0.050 4.400 4.350 -0.000 0.000 0.281 75 T C 1.422 176.119 174.700 -0.005 0.000 1.003 75 T CA -0.477 61.644 62.100 0.034 0.000 0.901 75 T CB -0.033 68.829 68.868 -0.009 0.000 1.112 75 T HN 0.255 nan 8.240 nan 0.000 0.535 76 L N 0.786 121.989 121.223 -0.034 0.000 1.994 76 L HA 0.215 4.555 4.340 -0.000 0.000 0.208 76 L C -0.190 176.407 176.870 -0.455 0.000 1.071 76 L CA 1.616 56.254 54.840 -0.336 0.000 0.745 76 L CB -0.363 41.352 42.059 -0.573 0.000 0.892 76 L HN 0.377 nan 8.230 nan 0.000 0.431 77 Y N 0.013 120.318 120.300 0.008 0.000 2.863 77 Y HA 0.433 4.983 4.550 -0.000 0.000 0.348 77 Y C -2.211 173.727 175.900 0.065 0.000 1.028 77 Y CA -3.577 54.520 58.100 -0.005 0.000 1.213 77 Y CB -0.104 38.312 38.460 -0.073 0.000 1.120 77 Y HN 0.099 nan 8.280 nan 0.000 0.598 78 P HA 0.136 nan 4.420 nan 0.000 0.263 78 P C 0.993 178.353 177.300 0.100 0.000 1.195 78 P CA 1.415 64.573 63.100 0.096 0.000 0.762 78 P CB 0.803 32.532 31.700 0.048 0.000 0.799 79 G N 2.925 111.767 108.800 0.070 0.000 2.225 79 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 79 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 79 G C 0.058 174.984 174.900 0.044 0.000 0.988 79 G CA -0.414 44.707 45.100 0.035 0.000 0.625 79 G HN 0.537 nan 8.290 nan 0.000 0.527 80 F N 2.725 122.631 119.950 -0.073 0.000 2.502 80 F HA 0.493 5.020 4.527 -0.000 0.000 0.371 80 F C 1.440 177.132 175.800 -0.180 0.000 1.083 80 F CA -0.002 57.900 58.000 -0.163 0.000 1.174 80 F CB 0.850 39.718 39.000 -0.219 0.000 1.096 80 F HN 0.296 nan 8.300 nan 0.000 0.545 81 E N 3.996 123.719 120.200 -0.796 0.000 2.130 81 E HA -0.189 4.161 4.350 -0.000 0.000 0.196 81 E C 2.118 178.194 176.600 -0.873 0.000 0.998 81 E CA 1.435 57.406 56.400 -0.714 0.000 0.806 81 E CB -0.321 29.048 29.700 -0.552 0.000 0.738 81 E HN 0.996 nan 8.360 nan 0.000 0.459 82 G N -0.210 107.552 108.800 -1.731 0.000 2.450 82 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.220 82 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.220 82 G C 1.627 176.544 174.900 0.028 0.000 1.130 82 G CA 1.661 46.142 45.100 -1.032 0.000 0.760 82 G HN 0.486 nan 8.290 nan 0.000 0.557 83 T N -2.026 112.528 114.554 0.000 0.000 3.042 83 T HA 0.149 4.499 4.350 -0.000 0.000 0.245 83 T C 1.921 176.780 174.700 0.266 0.000 1.029 83 T CA 0.674 63.080 62.100 0.510 0.000 1.120 83 T CB 0.072 69.293 68.868 0.588 0.000 0.917 83 T HN 0.093 nan 8.240 nan 0.000 0.467 84 E N 2.485 122.694 120.200 0.016 0.000 2.110 84 E HA -0.109 4.241 4.350 -0.000 0.000 0.193 84 E C 2.255 178.754 176.600 -0.169 0.000 0.988 84 E CA 1.388 57.755 56.400 -0.054 0.000 0.804 84 E CB -0.567 29.068 29.700 -0.109 0.000 0.745 84 E HN 0.789 nan 8.360 nan 0.000 0.458 85 M N -2.256 117.138 119.600 -0.343 0.000 2.435 85 M HA -0.101 4.379 4.480 -0.000 0.000 0.262 85 M C 1.318 177.200 176.300 -0.696 0.000 1.065 85 M CA 1.489 56.439 55.300 -0.583 0.000 1.076 85 M CB -0.552 31.572 32.600 -0.793 0.000 1.403 85 M HN 0.017 nan 8.290 nan 0.000 0.454 86 W N 0.612 121.842 121.300 -0.118 0.000 3.013 86 W HA 0.281 4.941 4.660 -0.000 0.000 0.280 86 W C 0.588 177.026 176.519 -0.135 0.000 1.249 86 W CA -0.957 56.303 57.345 -0.143 0.000 1.577 86 W CB -0.046 29.394 29.460 -0.034 0.000 1.057 86 W HN 0.102 nan 8.180 nan 0.000 0.613 87 N N 1.365 120.103 118.700 0.063 0.000 2.444 87 N HA 0.125 4.865 4.740 -0.000 0.000 0.255 87 N C -2.420 173.034 175.510 -0.093 0.000 1.255 87 N CA -1.375 51.682 53.050 0.012 0.000 0.933 87 N CB -0.142 38.355 38.487 0.017 0.000 1.143 87 N HN -0.337 nan 8.380 nan 0.000 0.453 88 P HA 0.045 nan 4.420 nan 0.000 0.265 88 P C 0.172 177.382 177.300 -0.151 0.000 1.193 88 P CA 0.114 63.125 63.100 -0.148 0.000 0.765 88 P CB 0.307 31.925 31.700 -0.136 0.000 0.823 89 N N 2.276 120.866 118.700 -0.183 0.000 2.204 89 N HA 0.080 4.820 4.740 -0.000 0.000 0.219 89 N C 0.028 175.455 175.510 -0.138 0.000 1.151 89 N CA -0.005 52.944 53.050 -0.168 0.000 0.867 89 N CB 0.450 38.812 38.487 -0.208 0.000 1.043 89 N HN 0.157 nan 8.380 nan 0.000 0.516 90 R N 0.228 120.650 120.500 -0.129 0.000 2.799 90 R HA 0.340 4.680 4.340 -0.000 0.000 0.270 90 R C -0.489 175.762 176.300 -0.081 0.000 1.010 90 R CA -0.599 55.445 56.100 -0.093 0.000 0.916 90 R CB 1.273 31.520 30.300 -0.088 0.000 1.228 90 R HN 0.195 nan 8.270 nan 0.000 0.469 91 E N 1.091 121.255 120.200 -0.060 0.000 2.415 91 E HA 0.088 4.437 4.350 -0.000 0.000 0.262 91 E C -0.002 176.575 176.600 -0.038 0.000 1.038 91 E CA 0.013 56.386 56.400 -0.045 0.000 0.921 91 E CB 0.629 30.312 29.700 -0.030 0.000 0.950 91 E HN 0.196 nan 8.360 nan 0.000 0.438 92 L N 1.605 122.816 121.223 -0.020 0.000 2.453 92 L HA 0.279 4.619 4.340 -0.000 0.000 0.261 92 L C 0.353 177.286 176.870 0.106 0.000 1.179 92 L CA 0.160 55.001 54.840 0.002 0.000 0.813 92 L CB 0.955 42.968 42.059 -0.078 0.000 1.110 92 L HN 0.451 nan 8.230 nan 0.000 0.466 93 S N -0.305 115.478 115.700 0.138 0.000 2.669 93 S HA 0.085 4.555 4.470 -0.000 0.000 0.304 93 S C -0.038 174.537 174.600 -0.041 0.000 1.021 93 S CA -0.687 57.543 58.200 0.049 0.000 0.854 93 S CB 1.003 64.207 63.200 0.007 0.000 1.048 93 S HN 0.745 nan 8.310 nan 0.000 0.452 94 E N 1.270 121.371 120.200 -0.165 0.000 2.418 94 E HA -0.048 4.302 4.350 -0.000 0.000 0.197 94 E C -0.294 176.214 176.600 -0.153 0.000 1.026 94 E CA 0.378 56.628 56.400 -0.251 0.000 0.862 94 E CB 0.105 29.601 29.700 -0.340 0.000 0.799 94 E HN 0.487 nan 8.360 nan 0.000 0.518 95 D N 0.461 120.809 120.400 -0.086 0.000 2.524 95 D HA 0.029 4.669 4.640 -0.000 0.000 0.222 95 D C 0.141 176.490 176.300 0.083 0.000 1.142 95 D CA -0.441 53.538 54.000 -0.035 0.000 0.973 95 D CB -0.011 40.791 40.800 0.003 0.000 1.025 95 D HN 0.123 nan 8.370 nan 0.000 0.519 96 c N 2.084 120.690 118.600 0.010 0.000 3.785 96 c HA 0.384 4.954 4.570 -0.000 0.000 0.312 96 c C 0.762 174.846 174.090 -0.011 0.000 1.566 96 c CA -0.644 55.755 56.329 0.117 0.000 1.837 96 c CB -1.265 41.274 42.510 0.048 0.000 2.826 96 c HN 0.418 nan 8.230 nan 0.000 0.667 97 L N 2.533 123.484 121.223 -0.454 0.000 2.415 97 L HA 0.348 4.688 4.340 -0.000 0.000 0.269 97 L C -0.883 175.238 176.870 -1.249 0.000 1.244 97 L CA 0.723 55.083 54.840 -0.800 0.000 1.113 97 L CB -0.938 40.528 42.059 -0.987 0.000 1.352 97 L HN 0.383 nan 8.230 nan 0.000 0.433 98 Y N 2.013 122.269 120.300 -0.073 0.000 2.581 98 Y HA 0.674 5.224 4.550 -0.000 0.000 0.345 98 Y C -0.105 175.991 175.900 0.327 0.000 1.036 98 Y CA -1.285 56.857 58.100 0.070 0.000 1.042 98 Y CB 1.951 40.410 38.460 -0.003 0.000 1.289 98 Y HN 0.205 nan 8.280 nan 0.000 0.471 99 L N -0.352 121.058 121.223 0.312 0.000 2.303 99 L HA 0.795 5.135 4.340 -0.000 0.000 0.256 99 L C -1.250 175.634 176.870 0.023 0.000 1.034 99 L CA -1.078 53.831 54.840 0.115 0.000 0.832 99 L CB 1.754 43.697 42.059 -0.193 0.000 1.403 99 L HN 0.483 nan 8.230 nan 0.000 0.419 100 N N -0.153 118.568 118.700 0.034 0.000 2.328 100 N HA 0.819 5.559 4.740 -0.000 0.000 0.299 100 N C -1.499 173.952 175.510 -0.097 0.000 1.179 100 N CA -0.460 52.519 53.050 -0.119 0.000 0.793 100 N CB 2.758 41.113 38.487 -0.219 0.000 1.366 100 N HN 0.522 nan 8.380 nan 0.000 0.493 101 V N 0.729 120.502 119.914 -0.234 0.000 2.733 101 V HA 0.456 4.575 4.120 -0.000 0.000 0.306 101 V C -1.143 174.987 176.094 0.059 0.000 1.084 101 V CA -0.802 61.484 62.300 -0.024 0.000 0.905 101 V CB 2.570 34.216 31.823 -0.294 0.000 1.010 101 V HN 0.560 nan 8.190 nan 0.000 0.424 102 W N 1.991 123.377 121.300 0.143 0.000 2.656 102 W HA 0.664 5.324 4.660 -0.000 0.000 0.327 102 W C -0.179 176.448 176.519 0.180 0.000 1.041 102 W CA -0.419 57.025 57.345 0.165 0.000 1.229 102 W CB 2.485 32.018 29.460 0.122 0.000 1.397 102 W HN 0.447 nan 8.180 nan 0.000 0.479 103 T N 4.459 119.285 114.554 0.453 0.000 2.906 103 T HA 0.458 4.808 4.350 -0.000 0.000 0.295 103 T C -2.538 172.350 174.700 0.312 0.000 1.061 103 T CA -1.596 60.717 62.100 0.356 0.000 1.000 103 T CB 2.378 71.482 68.868 0.394 0.000 1.103 103 T HN 0.045 nan 8.240 nan 0.000 0.486 104 P HA 0.193 nan 4.420 nan 0.000 0.275 104 P C -1.538 175.910 177.300 0.247 0.000 1.227 104 P CA -0.364 62.860 63.100 0.207 0.000 0.781 104 P CB 0.481 32.265 31.700 0.140 0.000 0.906 105 Y N 5.704 126.065 120.300 0.100 0.000 2.367 105 Y HA 0.340 4.890 4.550 -0.000 0.000 0.342 105 Y C -1.904 174.034 175.900 0.064 0.000 0.979 105 Y CA -2.215 55.936 58.100 0.086 0.000 1.161 105 Y CB 0.712 39.212 38.460 0.067 0.000 1.155 105 Y HN 0.316 nan 8.280 nan 0.000 0.503 106 P HA 0.255 nan 4.420 nan 0.000 0.278 106 P C -0.748 176.530 177.300 -0.038 0.000 1.258 106 P CA -0.697 62.218 63.100 -0.308 0.000 0.811 106 P CB 1.194 32.689 31.700 -0.342 0.000 1.063 107 R N 1.395 121.906 120.500 0.018 0.000 2.538 107 R HA 0.029 4.369 4.340 -0.000 0.000 0.273 107 R C -1.531 174.793 176.300 0.039 0.000 0.967 107 R CA -0.580 55.565 56.100 0.074 0.000 1.101 107 R CB -0.382 29.956 30.300 0.062 0.000 0.908 107 R HN 0.455 nan 8.270 nan 0.000 0.411 108 P HA -0.081 nan 4.420 nan 0.000 0.267 108 P C -0.172 177.141 177.300 0.022 0.000 1.200 108 P CA 0.214 63.339 63.100 0.041 0.000 0.772 108 P CB 0.802 32.537 31.700 0.058 0.000 0.855 109 A N 3.514 126.340 122.820 0.010 0.000 1.873 109 A HA -0.104 4.216 4.320 -0.000 0.000 0.218 109 A C 1.218 178.803 177.584 0.002 0.000 1.193 109 A CA 2.083 54.120 52.037 0.001 0.000 0.629 109 A CB -1.050 17.949 19.000 -0.002 0.000 0.826 109 A HN 0.776 nan 8.150 nan 0.000 0.447 110 S N -2.467 113.237 115.700 0.006 0.000 2.667 110 S HA 0.597 5.067 4.470 -0.000 0.000 0.292 110 S C -3.153 171.455 174.600 0.012 0.000 1.126 110 S CA -1.773 56.430 58.200 0.004 0.000 0.881 110 S CB 1.020 64.219 63.200 -0.003 0.000 1.132 110 S HN -0.034 nan 8.310 nan 0.000 0.492 111 P HA 0.041 nan 4.420 nan 0.000 0.212 111 P C -0.449 176.861 177.300 0.017 0.000 0.974 111 P CA 0.790 63.899 63.100 0.015 0.000 1.226 111 P CB -0.850 30.850 31.700 0.000 0.000 1.258 112 T N 6.188 120.764 114.554 0.035 0.000 2.913 112 T HA 0.227 4.577 4.350 -0.000 0.000 0.297 112 T C -2.030 172.693 174.700 0.039 0.000 1.029 112 T CA -1.186 60.936 62.100 0.036 0.000 1.104 112 T CB 0.160 69.062 68.868 0.057 0.000 0.964 112 T HN 0.220 nan 8.240 nan 0.000 0.532 113 P HA 0.151 nan 4.420 nan 0.000 0.271 113 P C -0.516 176.817 177.300 0.055 0.000 1.216 113 P CA -0.318 62.794 63.100 0.021 0.000 0.771 113 P CB 0.440 32.132 31.700 -0.013 0.000 0.864 114 V N 1.869 121.834 119.914 0.085 0.000 2.481 114 V HA 0.436 4.556 4.120 -0.000 0.000 0.286 114 V C -0.230 175.948 176.094 0.140 0.000 1.042 114 V CA -0.901 61.474 62.300 0.125 0.000 0.928 114 V CB 1.210 33.124 31.823 0.152 0.000 0.986 114 V HN 0.217 nan 8.190 nan 0.000 0.462 115 L N 6.078 127.399 121.223 0.164 0.000 2.301 115 L HA 0.580 4.920 4.340 -0.000 0.000 0.278 115 L C -0.198 176.930 176.870 0.430 0.000 1.022 115 L CA -0.348 54.613 54.840 0.202 0.000 0.854 115 L CB 0.842 42.901 42.059 0.000 0.000 1.226 115 L HN 0.632 nan 8.230 nan 0.000 0.429 116 I N 3.595 124.428 120.570 0.437 0.000 2.325 116 I HA 0.155 4.325 4.170 -0.000 0.000 0.291 116 I C -0.403 175.986 176.117 0.454 0.000 1.019 116 I CA -0.410 61.124 61.300 0.391 0.000 1.302 116 I CB 0.757 38.872 38.000 0.191 0.000 1.401 116 I HN 0.606 nan 8.210 nan 0.000 0.485 117 W N 8.654 130.042 121.300 0.147 0.000 2.390 117 W HA 0.533 5.193 4.660 -0.000 0.000 0.312 117 W C -1.474 174.928 176.519 -0.195 0.000 1.123 117 W CA -0.743 56.447 57.345 -0.259 0.000 1.202 117 W CB 1.175 30.473 29.460 -0.270 0.000 1.251 117 W HN 0.359 nan 8.180 nan 0.000 0.511 118 I N 9.424 129.276 120.570 -1.197 0.000 2.359 118 I HA 0.056 4.225 4.170 -0.000 0.000 0.284 118 I C -0.079 175.211 176.117 -1.378 0.000 1.018 118 I CA -1.086 59.614 61.300 -0.999 0.000 1.173 118 I CB 0.442 38.027 38.000 -0.692 0.000 1.326 118 I HN 0.318 nan 8.210 nan 0.000 0.462 119 Y N 4.604 124.447 120.300 -0.762 0.000 2.607 119 Y HA 0.558 5.108 4.550 -0.000 0.000 0.348 119 Y C 0.660 176.426 175.900 -0.223 0.000 1.261 119 Y CA -0.815 57.025 58.100 -0.432 0.000 1.480 119 Y CB -0.031 38.496 38.460 0.112 0.000 1.358 119 Y HN 0.492 nan 8.280 nan 0.000 0.630 120 G N -1.175 107.682 108.800 0.096 0.000 2.473 120 G HA2 0.545 4.505 3.960 -0.000 0.000 0.321 120 G HA3 0.545 4.505 3.960 -0.000 0.000 0.321 120 G C -0.162 174.692 174.900 -0.077 0.000 1.200 120 G CA -0.849 44.212 45.100 -0.065 0.000 0.963 120 G HN 1.468 nan 8.290 nan 0.000 0.483 121 G N -1.419 107.205 108.800 -0.294 0.000 4.665 121 G HA2 0.488 4.448 3.960 -0.000 0.000 0.227 121 G HA3 0.488 4.448 3.960 -0.000 0.000 0.227 121 G C 0.814 175.214 174.900 -0.834 0.000 2.385 121 G CA 0.859 45.653 45.100 -0.511 0.000 0.869 121 G HN 2.124 nan 8.290 nan 0.000 0.344 122 G N 0.039 108.336 108.800 -0.839 0.000 2.233 122 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.270 122 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.270 122 G C 0.878 175.500 174.900 -0.462 0.000 1.011 122 G CA 0.635 44.983 45.100 -1.254 0.000 0.762 122 G HN 1.503 nan 8.290 nan 0.000 0.511 123 F N -3.284 116.552 119.950 -0.190 0.000 2.973 123 F HA -0.309 4.218 4.527 -0.000 0.000 0.299 123 F C 1.431 177.337 175.800 0.177 0.000 0.737 123 F CA 2.175 60.198 58.000 0.038 0.000 1.151 123 F CB -2.047 36.862 39.000 -0.152 0.000 1.440 123 F HN 0.973 nan 8.300 nan 0.000 0.367 124 Y N -1.308 119.096 120.300 0.172 0.000 2.471 124 Y HA 0.637 5.187 4.550 -0.000 0.000 0.249 124 Y C 0.590 176.590 175.900 0.167 0.000 1.116 124 Y CA 0.238 58.442 58.100 0.174 0.000 1.240 124 Y CB -0.001 38.514 38.460 0.092 0.000 1.251 124 Y HN 0.098 nan 8.280 nan 0.000 0.527 125 S N -0.531 114.910 115.700 -0.433 0.000 2.688 125 S HA 0.884 5.354 4.470 -0.000 0.000 0.275 125 S C -0.155 174.304 174.600 -0.235 0.000 1.175 125 S CA -0.462 57.563 58.200 -0.292 0.000 0.818 125 S CB 1.439 64.403 63.200 -0.392 0.000 1.157 125 S HN 1.439 nan 8.310 nan 0.000 0.482 126 G N -0.691 107.950 108.800 -0.265 0.000 2.539 126 G HA2 0.539 4.499 3.960 -0.000 0.000 0.686 126 G HA3 0.539 4.499 3.960 -0.000 0.000 0.686 126 G C -0.626 173.628 174.900 -1.077 0.000 1.258 126 G CA -0.281 44.523 45.100 -0.494 0.000 0.846 126 G HN 2.246 nan 8.290 nan 0.000 0.647 127 A N -0.616 121.459 122.820 -1.242 0.000 2.565 127 A HA 0.976 5.295 4.320 -0.000 0.000 0.298 127 A C 0.680 178.072 177.584 -0.321 0.000 1.062 127 A CA 0.749 52.225 52.037 -0.935 0.000 0.723 127 A CB 0.862 19.597 19.000 -0.441 0.000 1.282 127 A HN 2.601 nan 8.150 nan 0.000 0.400 128 A N 0.797 123.683 122.820 0.110 0.000 2.125 128 A HA 0.102 4.422 4.320 -0.000 0.000 0.219 128 A C 1.868 179.492 177.584 0.067 0.000 1.156 128 A CA 2.234 54.527 52.037 0.426 0.000 0.671 128 A CB -0.522 18.799 19.000 0.535 0.000 0.794 128 A HN 1.232 nan 8.150 nan 0.000 0.459 129 S N -0.213 115.293 115.700 -0.322 0.000 2.469 129 S HA 0.038 4.508 4.470 -0.000 0.000 0.238 129 S C 0.767 174.895 174.600 -0.787 0.000 0.998 129 S CA 0.079 57.678 58.200 -1.001 0.000 0.957 129 S CB -0.517 62.274 63.200 -0.682 0.000 0.764 129 S HN 0.541 nan 8.310 nan 0.000 0.514 130 L N 2.123 123.043 121.223 -0.506 0.000 2.506 130 L HA -0.033 4.307 4.340 -0.000 0.000 0.281 130 L C 1.253 177.806 176.870 -0.529 0.000 1.228 130 L CA -0.319 54.166 54.840 -0.592 0.000 0.850 130 L CB 0.270 41.778 42.059 -0.918 0.000 1.110 130 L HN 0.056 nan 8.230 nan 0.000 0.496 131 D N 0.799 120.910 120.400 -0.481 0.000 2.144 131 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 131 D C 1.921 177.987 176.300 -0.390 0.000 0.984 131 D CA 1.342 55.136 54.000 -0.342 0.000 0.834 131 D CB -0.039 40.587 40.800 -0.291 0.000 0.955 131 D HN 0.501 nan 8.370 nan 0.000 0.465 132 V N -1.408 118.144 119.914 -0.603 0.000 3.305 132 V HA -0.107 4.013 4.120 -0.000 0.000 0.269 132 V C 0.721 176.387 176.094 -0.712 0.000 1.157 132 V CA 0.918 62.871 62.300 -0.577 0.000 1.157 132 V CB -1.054 30.403 31.823 -0.610 0.000 0.772 132 V HN 0.073 nan 8.190 nan 0.000 0.498 133 Y N 0.233 120.007 120.300 -0.877 0.000 2.625 133 Y HA 0.450 5.000 4.550 -0.000 0.000 0.285 133 Y C 0.781 176.150 175.900 -0.884 0.000 1.168 133 Y CA -1.948 55.273 58.100 -1.466 0.000 1.250 133 Y CB -0.818 37.098 38.460 -0.907 0.000 1.130 133 Y HN 0.264 nan 8.280 nan 0.000 0.526 134 D N 0.975 121.158 120.400 -0.362 0.000 2.367 134 D HA 0.071 4.711 4.640 -0.000 0.000 0.255 134 D C 1.319 177.414 176.300 -0.341 0.000 1.300 134 D CA 0.238 54.140 54.000 -0.164 0.000 0.959 134 D CB 0.799 41.623 40.800 0.040 0.000 1.064 134 D HN 0.468 nan 8.370 nan 0.000 0.509 135 G N 3.771 111.880 108.800 -1.153 0.000 3.234 135 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.221 135 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.221 135 G C 1.443 175.756 174.900 -0.979 0.000 1.229 135 G CA -0.010 44.520 45.100 -0.950 0.000 0.909 135 G HN 0.570 nan 8.290 nan 0.000 0.510 136 R N -1.034 118.920 120.500 -0.910 0.000 2.115 136 R HA 0.053 4.392 4.340 -0.000 0.000 0.226 136 R C 1.522 177.570 176.300 -0.419 0.000 1.100 136 R CA 1.016 56.774 56.100 -0.570 0.000 0.980 136 R CB -0.520 29.482 30.300 -0.497 0.000 0.875 136 R HN 0.306 nan 8.270 nan 0.000 0.445 137 F N 1.480 121.352 119.950 -0.131 0.000 2.128 137 F HA 0.073 4.600 4.527 -0.000 0.000 0.295 137 F C 2.036 177.779 175.800 -0.095 0.000 1.100 137 F CA 0.673 58.620 58.000 -0.089 0.000 1.260 137 F CB -0.470 38.469 39.000 -0.101 0.000 1.009 137 F HN -0.130 nan 8.300 nan 0.000 0.476 138 L N -0.414 120.838 121.223 0.048 0.000 2.549 138 L HA -0.128 4.212 4.340 -0.000 0.000 0.230 138 L C 2.170 179.034 176.870 -0.010 0.000 1.162 138 L CA 0.778 55.596 54.840 -0.036 0.000 0.834 138 L CB -0.656 41.316 42.059 -0.146 0.000 0.947 138 L HN 0.228 nan 8.230 nan 0.000 0.452 139 A N -1.501 121.323 122.820 0.005 0.000 1.970 139 A HA -0.040 4.280 4.320 -0.000 0.000 0.204 139 A C 2.159 179.783 177.584 0.066 0.000 1.325 139 A CA 0.064 52.136 52.037 0.059 0.000 0.767 139 A CB -0.247 18.823 19.000 0.117 0.000 0.949 139 A HN 0.237 nan 8.150 nan 0.000 0.481 140 Q N 0.588 120.417 119.800 0.047 0.000 2.020 140 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 140 Q C 2.065 178.102 176.000 0.062 0.000 0.982 140 Q CA 2.455 58.292 55.803 0.057 0.000 0.838 140 Q CB -0.355 28.399 28.738 0.026 0.000 0.899 140 Q HN 0.344 nan 8.270 nan 0.000 0.423 141 V N 1.360 121.315 119.914 0.068 0.000 2.273 141 V HA -0.135 3.985 4.120 -0.000 0.000 0.242 141 V C 2.005 178.120 176.094 0.036 0.000 1.035 141 V CA 1.790 64.125 62.300 0.058 0.000 1.013 141 V CB -0.353 31.511 31.823 0.068 0.000 0.652 141 V HN 0.278 nan 8.190 nan 0.000 0.452 142 E N 0.100 120.316 120.200 0.026 0.000 2.489 142 E HA 0.131 4.481 4.350 -0.000 0.000 0.193 142 E C 1.641 178.254 176.600 0.021 0.000 1.057 142 E CA 0.707 57.114 56.400 0.013 0.000 0.866 142 E CB -0.108 29.588 29.700 -0.005 0.000 0.916 142 E HN 0.650 nan 8.360 nan 0.000 0.500 143 G N 1.495 110.318 108.800 0.038 0.000 2.283 143 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.280 143 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.280 143 G C 0.354 175.287 174.900 0.056 0.000 1.029 143 G CA 0.521 45.651 45.100 0.051 0.000 0.840 143 G HN 0.475 nan 8.290 nan 0.000 0.505 144 A N -0.923 121.929 122.820 0.053 0.000 2.306 144 A HA 0.808 5.128 4.320 -0.000 0.000 0.330 144 A C 0.281 177.929 177.584 0.107 0.000 1.146 144 A CA -0.327 51.746 52.037 0.060 0.000 0.827 144 A CB 1.740 20.755 19.000 0.024 0.000 1.178 144 A HN 1.072 nan 8.150 nan 0.000 0.490 145 V N 2.595 122.585 119.914 0.127 0.000 2.389 145 V HA 0.248 4.368 4.120 -0.000 0.000 0.264 145 V C -0.052 176.161 176.094 0.199 0.000 1.049 145 V CA 0.097 62.505 62.300 0.179 0.000 0.932 145 V CB 0.389 32.314 31.823 0.170 0.000 1.011 145 V HN 0.690 nan 8.190 nan 0.000 0.475 146 L N 6.534 127.919 121.223 0.269 0.000 2.296 146 L HA 0.677 5.016 4.340 -0.000 0.000 0.286 146 L C -0.682 176.474 176.870 0.477 0.000 1.023 146 L CA -0.248 54.791 54.840 0.331 0.000 0.812 146 L CB 1.673 43.874 42.059 0.236 0.000 1.223 146 L HN 0.424 nan 8.230 nan 0.000 0.421 147 V N 3.397 123.569 119.914 0.430 0.000 2.487 147 V HA 0.576 4.696 4.120 -0.000 0.000 0.298 147 V C -0.398 175.964 176.094 0.446 0.000 1.028 147 V CA -0.469 62.062 62.300 0.386 0.000 0.860 147 V CB 1.790 33.749 31.823 0.226 0.000 0.991 147 V HN 0.821 nan 8.190 nan 0.000 0.427 148 S N 6.191 122.189 115.700 0.497 0.000 2.707 148 S HA 0.767 5.237 4.470 -0.000 0.000 0.303 148 S C -0.665 174.149 174.600 0.356 0.000 1.132 148 S CA -0.763 57.738 58.200 0.503 0.000 1.046 148 S CB 1.766 65.398 63.200 0.719 0.000 1.004 148 S HN 0.792 nan 8.310 nan 0.000 0.483 149 M N 1.961 121.697 119.600 0.227 0.000 2.613 149 M HA 0.667 5.147 4.480 -0.000 0.000 0.301 149 M C -1.534 174.986 176.300 0.368 0.000 1.205 149 M CA -0.290 55.126 55.300 0.194 0.000 0.950 149 M CB 0.850 33.380 32.600 -0.117 0.000 1.585 149 M HN 0.526 nan 8.290 nan 0.000 0.490 150 N N 1.796 120.770 118.700 0.456 0.000 2.399 150 N HA 0.630 5.370 4.740 -0.000 0.000 0.295 150 N C -1.577 174.191 175.510 0.430 0.000 1.048 150 N CA -0.073 53.286 53.050 0.515 0.000 0.886 150 N CB 1.140 39.857 38.487 0.382 0.000 1.185 150 N HN 0.693 nan 8.380 nan 0.000 0.487 151 Y N -1.578 118.880 120.300 0.264 0.000 2.545 151 Y HA 0.579 5.129 4.550 -0.000 0.000 0.348 151 Y C -0.103 175.918 175.900 0.202 0.000 1.002 151 Y CA -1.336 56.870 58.100 0.176 0.000 1.039 151 Y CB 0.972 39.465 38.460 0.054 0.000 1.271 151 Y HN 0.180 nan 8.280 nan 0.000 0.467 152 R N 2.239 122.827 120.500 0.148 0.000 2.421 152 R HA 0.419 4.759 4.340 -0.000 0.000 0.305 152 R C -0.050 176.338 176.300 0.147 0.000 1.039 152 R CA -0.140 56.010 56.100 0.084 0.000 1.003 152 R CB 0.521 30.847 30.300 0.044 0.000 0.959 152 R HN 0.721 nan 8.270 nan 0.000 0.427 153 V N 0.769 120.815 119.914 0.219 0.000 3.345 153 V HA 0.839 4.959 4.120 -0.000 0.000 0.308 153 V C 0.973 177.343 176.094 0.460 0.000 1.168 153 V CA -0.140 62.405 62.300 0.408 0.000 1.024 153 V CB 0.847 32.832 31.823 0.269 0.000 1.211 153 V HN 0.944 nan 8.190 nan 0.000 0.461 154 G N 1.008 110.100 108.800 0.486 0.000 2.578 154 G HA2 -0.287 3.673 3.960 -0.000 0.000 0.275 154 G HA3 -0.287 3.673 3.960 -0.000 0.000 0.275 154 G C 0.786 175.781 174.900 0.158 0.000 1.271 154 G CA 1.156 46.458 45.100 0.337 0.000 0.941 154 G HN 1.929 nan 8.290 nan 0.000 0.564 155 T N -0.433 113.921 114.554 -0.334 0.000 2.788 155 T HA -0.076 4.274 4.350 -0.000 0.000 0.268 155 T C 2.104 176.599 174.700 -0.342 0.000 1.044 155 T CA 2.411 64.050 62.100 -0.767 0.000 1.139 155 T CB -0.310 67.956 68.868 -1.002 0.000 0.867 155 T HN 0.462 nan 8.240 nan 0.000 0.454 156 F N 2.244 122.246 119.950 0.085 0.000 2.095 156 F HA 0.127 4.654 4.527 -0.000 0.000 0.298 156 F C 2.785 178.583 175.800 -0.004 0.000 1.104 156 F CA 0.961 59.008 58.000 0.079 0.000 1.232 156 F CB -1.246 37.770 39.000 0.026 0.000 0.987 156 F HN 0.310 nan 8.300 nan 0.000 0.475 157 G N -1.937 106.901 108.800 0.064 0.000 2.492 157 G HA2 -0.040 3.920 3.960 -0.000 0.000 0.214 157 G HA3 -0.040 3.920 3.960 -0.000 0.000 0.214 157 G C 1.006 175.366 174.900 -0.900 0.000 1.147 157 G CA 0.327 45.182 45.100 -0.409 0.000 0.809 157 G HN 0.351 nan 8.290 nan 0.000 0.533 158 F N -0.504 119.494 119.950 0.080 0.000 2.817 158 F HA 0.439 4.966 4.527 -0.000 0.000 0.333 158 F C 0.673 176.479 175.800 0.010 0.000 1.085 158 F CA -1.005 57.017 58.000 0.038 0.000 1.170 158 F CB 0.234 39.266 39.000 0.054 0.000 1.066 158 F HN -0.090 nan 8.300 nan 0.000 0.564 159 L N 2.096 123.256 121.223 -0.105 0.000 2.540 159 L HA 0.428 4.768 4.340 -0.000 0.000 0.276 159 L C -0.070 176.682 176.870 -0.196 0.000 1.212 159 L CA 0.040 54.673 54.840 -0.346 0.000 0.893 159 L CB 0.324 41.849 42.059 -0.891 0.000 1.138 159 L HN 0.138 nan 8.230 nan 0.000 0.491 160 A N 5.425 128.206 122.820 -0.065 0.000 2.520 160 A HA 0.690 5.010 4.320 -0.000 0.000 0.298 160 A C -1.425 176.129 177.584 -0.051 0.000 1.051 160 A CA -0.596 51.404 52.037 -0.062 0.000 0.690 160 A CB 1.490 20.499 19.000 0.014 0.000 1.281 160 A HN 0.583 nan 8.150 nan 0.000 0.402 161 L N 3.477 124.661 121.223 -0.065 0.000 2.502 161 L HA 0.357 4.697 4.340 -0.000 0.000 0.247 161 L C -2.156 174.702 176.870 -0.019 0.000 1.180 161 L CA -1.413 53.401 54.840 -0.043 0.000 0.956 161 L CB 1.215 43.239 42.059 -0.060 0.000 1.282 161 L HN 0.476 nan 8.230 nan 0.000 0.470 162 P HA -0.019 nan 4.420 nan 0.000 0.261 162 P C 0.987 178.291 177.300 0.007 0.000 1.158 162 P CA 1.407 64.511 63.100 0.007 0.000 0.758 162 P CB 0.699 32.405 31.700 0.010 0.000 0.763 163 G N 1.838 110.645 108.800 0.013 0.000 2.241 163 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.244 163 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.244 163 G C 0.326 175.233 174.900 0.013 0.000 0.998 163 G CA 0.315 45.423 45.100 0.014 0.000 0.621 163 G HN 0.927 nan 8.290 nan 0.000 0.519 164 S N -0.144 115.561 115.700 0.009 0.000 2.592 164 S HA 0.614 5.083 4.470 -0.000 0.000 0.271 164 S C 1.195 175.806 174.600 0.019 0.000 1.326 164 S CA 0.398 58.603 58.200 0.009 0.000 1.024 164 S CB 1.976 65.175 63.200 -0.003 0.000 0.921 164 S HN 0.419 nan 8.310 nan 0.000 0.527 165 R N 0.621 121.134 120.500 0.022 0.000 2.127 165 R HA 0.014 4.354 4.340 -0.000 0.000 0.217 165 R C 1.183 177.506 176.300 0.039 0.000 1.074 165 R CA 1.099 57.217 56.100 0.030 0.000 0.991 165 R CB -0.041 30.275 30.300 0.027 0.000 0.895 165 R HN 0.923 nan 8.270 nan 0.000 0.450 166 E N -0.797 119.429 120.200 0.043 0.000 2.476 166 E HA 0.121 4.471 4.350 -0.000 0.000 0.196 166 E C -0.521 176.143 176.600 0.107 0.000 1.029 166 E CA 0.093 56.535 56.400 0.071 0.000 0.896 166 E CB 1.220 30.966 29.700 0.076 0.000 1.012 166 E HN 0.164 nan 8.360 nan 0.000 0.475 167 A N 2.134 124.988 122.820 0.056 0.000 3.068 167 A HA 0.331 4.651 4.320 -0.000 0.000 0.269 167 A C -2.546 175.031 177.584 -0.011 0.000 1.259 167 A CA -0.744 51.307 52.037 0.022 0.000 0.938 167 A CB 0.726 19.647 19.000 -0.131 0.000 1.433 167 A HN -0.031 nan 8.150 nan 0.000 0.664 168 P HA 0.309 nan 4.420 nan 0.000 0.255 168 P C 0.892 178.206 177.300 0.022 0.000 1.248 168 P CA 1.336 64.449 63.100 0.021 0.000 0.807 168 P CB 0.394 32.117 31.700 0.038 0.000 1.150 169 G N 1.007 109.813 108.800 0.010 0.000 2.781 169 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.683 169 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.683 169 G C -0.019 174.877 174.900 -0.006 0.000 1.390 169 G CA -0.267 44.843 45.100 0.016 0.000 0.850 169 G HN 0.137 nan 8.290 nan 0.000 0.557 170 N N -2.533 116.176 118.700 0.014 0.000 2.778 170 N HA -0.291 4.449 4.740 -0.000 0.000 0.249 170 N C 1.858 177.225 175.510 -0.238 0.000 1.069 170 N CA 2.423 55.432 53.050 -0.068 0.000 0.831 170 N CB -1.671 36.696 38.487 -0.200 0.000 1.142 170 N HN 1.925 nan 8.380 nan 0.000 0.573 171 V N -2.522 117.241 119.914 -0.251 0.000 2.759 171 V HA 0.017 4.137 4.120 -0.000 0.000 0.256 171 V C 2.302 178.259 176.094 -0.229 0.000 1.080 171 V CA 2.254 64.449 62.300 -0.175 0.000 1.101 171 V CB -0.874 30.896 31.823 -0.089 0.000 0.698 171 V HN 0.274 nan 8.190 nan 0.000 0.477 172 G N 0.307 108.763 108.800 -0.574 0.000 2.448 172 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.219 172 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.219 172 G C 1.508 176.422 174.900 0.023 0.000 1.127 172 G CA 1.124 46.036 45.100 -0.313 0.000 0.766 172 G HN 0.544 nan 8.290 nan 0.000 0.552 173 L N -0.268 120.903 121.223 -0.086 0.000 2.095 173 L HA 0.155 4.495 4.340 -0.000 0.000 0.204 173 L C 2.765 179.660 176.870 0.041 0.000 1.080 173 L CA 0.263 55.026 54.840 -0.128 0.000 0.759 173 L CB -0.297 41.395 42.059 -0.612 0.000 0.914 173 L HN 0.148 nan 8.230 nan 0.000 0.439 174 L N -0.303 120.940 121.223 0.032 0.000 2.191 174 L HA -0.222 4.118 4.340 -0.000 0.000 0.212 174 L C 2.037 179.021 176.870 0.189 0.000 1.103 174 L CA 0.847 55.798 54.840 0.186 0.000 0.769 174 L CB -0.610 41.534 42.059 0.142 0.000 0.908 174 L HN 0.297 nan 8.230 nan 0.000 0.438 175 D N -0.110 120.392 120.400 0.170 0.000 2.084 175 D HA -0.176 4.464 4.640 -0.000 0.000 0.196 175 D C 2.314 178.764 176.300 0.251 0.000 0.985 175 D CA 1.113 55.288 54.000 0.291 0.000 0.826 175 D CB -0.155 40.831 40.800 0.310 0.000 0.978 175 D HN 0.350 nan 8.370 nan 0.000 0.456 176 Q N 0.173 120.051 119.800 0.131 0.000 2.061 176 Q HA -0.161 4.179 4.340 -0.000 0.000 0.204 176 Q C 2.282 178.247 176.000 -0.059 0.000 0.984 176 Q CA 1.222 57.010 55.803 -0.026 0.000 0.846 176 Q CB -0.118 28.597 28.738 -0.038 0.000 0.902 176 Q HN 0.202 nan 8.270 nan 0.000 0.421 177 R N 0.717 121.277 120.500 0.100 0.000 2.091 177 R HA -0.158 4.182 4.340 -0.000 0.000 0.238 177 R C 2.256 178.598 176.300 0.069 0.000 1.136 177 R CA 1.071 57.219 56.100 0.081 0.000 0.959 177 R CB -0.349 30.113 30.300 0.270 0.000 0.856 177 R HN 0.279 nan 8.270 nan 0.000 0.437 178 L N 0.739 122.045 121.223 0.137 0.000 2.079 178 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 178 L C 2.258 179.184 176.870 0.093 0.000 1.081 178 L CA 2.126 57.083 54.840 0.194 0.000 0.752 178 L CB -1.031 41.232 42.059 0.340 0.000 0.896 178 L HN 0.418 nan 8.230 nan 0.000 0.433 179 A N -0.619 122.047 122.820 -0.256 0.000 1.969 179 A HA -0.180 4.140 4.320 -0.000 0.000 0.218 179 A C 2.081 179.580 177.584 -0.141 0.000 1.169 179 A CA 1.074 52.740 52.037 -0.619 0.000 0.635 179 A CB -0.405 17.965 19.000 -1.050 0.000 0.810 179 A HN 0.400 nan 8.150 nan 0.000 0.445 180 L N -0.309 120.859 121.223 -0.090 0.000 2.027 180 L HA -0.160 4.180 4.340 -0.000 0.000 0.206 180 L C 2.626 179.549 176.870 0.088 0.000 1.074 180 L CA 1.987 56.819 54.840 -0.013 0.000 0.745 180 L CB -0.974 41.032 42.059 -0.089 0.000 0.898 180 L HN 0.460 nan 8.230 nan 0.000 0.433 181 Q N -2.368 117.496 119.800 0.107 0.000 2.170 181 Q HA -0.271 4.069 4.340 -0.000 0.000 0.203 181 Q C 2.049 178.160 176.000 0.185 0.000 0.976 181 Q CA 1.906 57.788 55.803 0.131 0.000 0.858 181 Q CB -0.322 28.498 28.738 0.137 0.000 0.907 181 Q HN 0.605 nan 8.270 nan 0.000 0.433 182 W N -0.009 121.313 121.300 0.036 0.000 2.380 182 W HA -0.191 4.469 4.660 -0.000 0.000 0.317 182 W C 2.059 178.615 176.519 0.061 0.000 1.196 182 W CA 1.090 58.477 57.345 0.071 0.000 1.307 182 W CB -0.497 29.012 29.460 0.081 0.000 1.157 182 W HN -0.127 nan 8.180 nan 0.000 0.483 183 V N 1.058 121.294 119.914 0.537 0.000 2.439 183 V HA -0.384 3.736 4.120 -0.000 0.000 0.253 183 V C 2.355 178.523 176.094 0.122 0.000 1.074 183 V CA 2.604 65.129 62.300 0.374 0.000 1.076 183 V CB -0.719 31.268 31.823 0.274 0.000 0.664 183 V HN 0.368 nan 8.190 nan 0.000 0.461 184 Q N 0.971 120.827 119.800 0.094 0.000 1.942 184 Q HA -0.213 4.127 4.340 -0.000 0.000 0.203 184 Q C 2.057 178.043 176.000 -0.023 0.000 0.987 184 Q CA 2.454 58.287 55.803 0.049 0.000 0.844 184 Q CB -0.444 28.328 28.738 0.056 0.000 0.911 184 Q HN 0.885 nan 8.270 nan 0.000 0.423 185 E N -1.202 118.955 120.200 -0.072 0.000 2.505 185 E HA -0.051 4.299 4.350 -0.000 0.000 0.197 185 E C 0.429 176.874 176.600 -0.257 0.000 1.111 185 E CA 0.506 56.828 56.400 -0.130 0.000 0.887 185 E CB 0.074 29.712 29.700 -0.104 0.000 0.913 185 E HN 0.285 nan 8.360 nan 0.000 0.517 186 N N -0.234 118.255 118.700 -0.353 0.000 2.113 186 N HA 0.022 4.762 4.740 -0.000 0.000 0.236 186 N C 1.229 176.636 175.510 -0.171 0.000 1.263 186 N CA -0.068 52.689 53.050 -0.489 0.000 0.831 186 N CB 0.168 37.843 38.487 -1.353 0.000 1.259 186 N HN 0.071 nan 8.380 nan 0.000 0.469 187 I N 2.851 123.394 120.570 -0.045 0.000 2.423 187 I HA -0.118 4.052 4.170 -0.000 0.000 0.254 187 I C 2.201 178.455 176.117 0.229 0.000 1.151 187 I CA 0.773 62.196 61.300 0.205 0.000 1.421 187 I CB -0.329 37.767 38.000 0.159 0.000 1.079 187 I HN 0.101 nan 8.210 nan 0.000 0.431 188 A N 0.559 123.426 122.820 0.077 0.000 1.927 188 A HA -0.260 4.060 4.320 -0.000 0.000 0.220 188 A C 2.456 180.043 177.584 0.005 0.000 1.185 188 A CA 2.078 54.134 52.037 0.032 0.000 0.639 188 A CB -1.335 17.653 19.000 -0.020 0.000 0.820 188 A HN 0.520 nan 8.150 nan 0.000 0.451 189 A N -2.165 120.614 122.820 -0.068 0.000 2.216 189 A HA 0.164 4.484 4.320 -0.000 0.000 0.214 189 A C 1.440 178.767 177.584 -0.428 0.000 1.160 189 A CA 1.067 52.942 52.037 -0.271 0.000 0.725 189 A CB -0.644 18.099 19.000 -0.429 0.000 0.784 189 A HN 0.503 nan 8.150 nan 0.000 0.472 190 F N -1.466 118.438 119.950 -0.076 0.000 2.695 190 F HA 0.384 4.911 4.527 -0.000 0.000 0.303 190 F C 1.707 177.508 175.800 0.002 0.000 1.091 190 F CA 0.468 58.429 58.000 -0.065 0.000 1.300 190 F CB 0.384 39.352 39.000 -0.054 0.000 1.071 190 F HN 0.299 nan 8.300 nan 0.000 0.578 191 G N 0.458 109.336 108.800 0.131 0.000 2.131 191 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.223 191 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.223 191 G C 0.506 175.472 174.900 0.111 0.000 0.990 191 G CA -0.279 44.878 45.100 0.095 0.000 0.671 191 G HN 0.710 nan 8.290 nan 0.000 0.521 192 G N -0.636 108.251 108.800 0.145 0.000 2.425 192 G HA2 0.504 4.464 3.960 -0.000 0.000 0.302 192 G HA3 0.504 4.464 3.960 -0.000 0.000 0.302 192 G C -0.844 174.107 174.900 0.085 0.000 1.159 192 G CA 0.034 45.209 45.100 0.126 0.000 0.865 192 G HN 0.183 nan 8.290 nan 0.000 0.515 193 D N 1.336 121.776 120.400 0.066 0.000 2.396 193 D HA 0.272 4.912 4.640 -0.000 0.000 0.225 193 D C -1.203 175.131 176.300 0.057 0.000 1.121 193 D CA -2.332 51.690 54.000 0.038 0.000 0.853 193 D CB 1.879 42.682 40.800 0.005 0.000 1.043 193 D HN 0.072 nan 8.370 nan 0.000 0.500 194 P HA -0.050 nan 4.420 nan 0.000 0.239 194 P C 0.898 178.278 177.300 0.133 0.000 1.184 194 P CA 0.319 63.477 63.100 0.097 0.000 0.760 194 P CB 0.295 32.034 31.700 0.065 0.000 0.884 195 M N -0.605 119.007 119.600 0.021 0.000 2.382 195 M HA 0.086 4.566 4.480 -0.000 0.000 0.247 195 M C 0.884 176.877 176.300 -0.511 0.000 1.104 195 M CA 0.586 55.783 55.300 -0.172 0.000 1.030 195 M CB -0.373 32.132 32.600 -0.159 0.000 1.424 195 M HN -0.026 nan 8.290 nan 0.000 0.486 196 S N 0.184 115.789 115.700 -0.159 0.000 2.128 196 S HA 0.450 4.920 4.470 -0.000 0.000 0.157 196 S C -0.512 174.172 174.600 0.139 0.000 1.650 196 S CA -0.654 57.486 58.200 -0.099 0.000 1.269 196 S CB 0.140 63.279 63.200 -0.101 0.000 1.227 196 S HN -0.049 nan 8.310 nan 0.000 0.405 197 V N 2.801 122.963 119.914 0.414 0.000 2.385 197 V HA 0.405 4.525 4.120 -0.000 0.000 0.269 197 V C 0.174 176.452 176.094 0.308 0.000 1.043 197 V CA -0.047 62.446 62.300 0.322 0.000 0.906 197 V CB 0.981 32.982 31.823 0.296 0.000 0.995 197 V HN 0.767 nan 8.190 nan 0.000 0.467 198 T N 7.138 121.831 114.554 0.231 0.000 2.821 198 T HA 0.512 4.862 4.350 -0.000 0.000 0.307 198 T C -0.102 174.769 174.700 0.285 0.000 1.034 198 T CA -0.323 61.918 62.100 0.235 0.000 0.953 198 T CB 0.477 69.421 68.868 0.126 0.000 0.968 198 T HN 0.329 nan 8.240 nan 0.000 0.462 199 L N 4.502 125.889 121.223 0.273 0.000 2.397 199 L HA 0.626 4.966 4.340 -0.000 0.000 0.271 199 L C -0.317 176.779 176.870 0.377 0.000 1.148 199 L CA -0.624 54.339 54.840 0.204 0.000 0.825 199 L CB 0.318 42.313 42.059 -0.107 0.000 1.117 199 L HN 0.675 nan 8.230 nan 0.000 0.456 200 F N 0.901 120.909 119.950 0.097 0.000 2.651 200 F HA 0.796 5.323 4.527 -0.000 0.000 0.329 200 F C -0.545 175.241 175.800 -0.023 0.000 1.186 200 F CA -0.839 57.266 58.000 0.175 0.000 1.046 200 F CB 0.930 40.168 39.000 0.395 0.000 1.296 200 F HN 0.408 nan 8.300 nan 0.000 0.497 201 G N 2.739 111.364 108.800 -0.293 0.000 2.690 201 G HA2 0.524 4.484 3.960 -0.000 0.000 0.291 201 G HA3 0.524 4.484 3.960 -0.000 0.000 0.291 201 G C -2.278 172.391 174.900 -0.386 0.000 1.403 201 G CA -0.767 43.780 45.100 -0.922 0.000 0.864 201 G HN 0.789 nan 8.290 nan 0.000 0.480 202 E N 0.103 120.044 120.200 -0.432 0.000 2.259 202 E HA 0.597 4.947 4.350 -0.000 0.000 0.257 202 E C 1.058 177.586 176.600 -0.120 0.000 0.998 202 E CA 0.166 56.527 56.400 -0.064 0.000 0.866 202 E CB 2.034 31.808 29.700 0.123 0.000 1.220 202 E HN 0.589 nan 8.360 nan 0.000 0.415 203 S N 0.905 116.594 115.700 -0.017 0.000 4.136 203 S HA -0.400 4.070 4.470 -0.000 0.000 0.539 203 S C 1.447 176.102 174.600 0.091 0.000 1.754 203 S CA 2.455 60.711 58.200 0.093 0.000 4.093 203 S CB -1.482 61.679 63.200 -0.064 0.000 1.066 203 S HN 0.813 nan 8.310 nan 0.000 0.491 204 A N 0.920 123.657 122.820 -0.138 0.000 2.067 204 A HA 0.257 4.577 4.320 -0.000 0.000 0.219 204 A C 2.369 179.672 177.584 -0.468 0.000 1.158 204 A CA 1.961 53.727 52.037 -0.451 0.000 0.661 204 A CB -1.418 16.911 19.000 -1.118 0.000 0.801 204 A HN 1.307 nan 8.150 nan 0.000 0.452 205 G N -0.227 108.357 108.800 -0.360 0.000 2.404 205 G HA2 0.018 3.978 3.960 -0.000 0.000 0.215 205 G HA3 0.018 3.978 3.960 -0.000 0.000 0.215 205 G C 1.759 176.455 174.900 -0.340 0.000 1.174 205 G CA 1.250 46.079 45.100 -0.451 0.000 0.780 205 G HN 0.719 nan 8.290 nan 0.000 0.537 206 A N 1.308 123.995 122.820 -0.222 0.000 1.908 206 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 206 A C 2.836 180.367 177.584 -0.088 0.000 1.181 206 A CA 2.411 54.386 52.037 -0.103 0.000 0.627 206 A CB -0.903 18.103 19.000 0.009 0.000 0.818 206 A HN 0.855 nan 8.150 nan 0.000 0.445 207 A N -0.552 122.225 122.820 -0.071 0.000 1.908 207 A HA -0.119 4.201 4.320 -0.000 0.000 0.218 207 A C 2.462 180.000 177.584 -0.075 0.000 1.181 207 A CA 2.250 54.236 52.037 -0.086 0.000 0.627 207 A CB -0.911 18.039 19.000 -0.083 0.000 0.818 207 A HN 0.471 nan 8.150 nan 0.000 0.445 208 S N -0.483 115.151 115.700 -0.109 0.000 2.343 208 S HA -0.143 4.327 4.470 -0.000 0.000 0.219 208 S C 1.926 176.393 174.600 -0.222 0.000 1.033 208 S CA 1.422 59.519 58.200 -0.172 0.000 1.014 208 S CB -0.660 62.382 63.200 -0.262 0.000 0.915 208 S HN 0.354 nan 8.310 nan 0.000 0.435 209 V N 1.898 121.726 119.914 -0.143 0.000 2.317 209 V HA -0.265 3.855 4.120 -0.000 0.000 0.251 209 V C 2.580 178.618 176.094 -0.093 0.000 1.065 209 V CA 2.091 64.333 62.300 -0.095 0.000 1.049 209 V CB -1.618 30.147 31.823 -0.096 0.000 0.651 209 V HN 0.617 nan 8.190 nan 0.000 0.450 210 G N -0.653 108.094 108.800 -0.088 0.000 2.421 210 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.216 210 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.216 210 G C 1.503 176.377 174.900 -0.043 0.000 1.171 210 G CA 1.166 46.226 45.100 -0.067 0.000 0.775 210 G HN 0.390 nan 8.290 nan 0.000 0.543 211 M N 0.343 119.892 119.600 -0.086 0.000 2.149 211 M HA -0.073 4.407 4.480 -0.000 0.000 0.261 211 M C 2.282 178.599 176.300 0.028 0.000 1.064 211 M CA 1.119 56.406 55.300 -0.022 0.000 1.102 211 M CB -1.254 31.302 32.600 -0.073 0.000 1.369 211 M HN 0.265 nan 8.290 nan 0.000 0.408 212 H N 0.277 119.405 119.070 0.096 0.000 2.387 212 H HA 0.011 4.567 4.556 -0.000 0.000 0.299 212 H C 2.242 177.691 175.328 0.202 0.000 1.090 212 H CA 1.376 57.457 56.048 0.055 0.000 1.332 212 H CB -0.440 29.170 29.762 -0.254 0.000 1.386 212 H HN 0.415 nan 8.280 nan 0.000 0.516 213 I N 0.221 120.983 120.570 0.319 0.000 2.315 213 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 213 I C 1.806 178.102 176.117 0.298 0.000 1.117 213 I CA 0.567 62.125 61.300 0.429 0.000 1.404 213 I CB -0.048 38.112 38.000 0.267 0.000 1.071 213 I HN 0.120 nan 8.210 nan 0.000 0.419 214 L N -0.250 121.087 121.223 0.190 0.000 2.395 214 L HA 0.085 4.425 4.340 -0.000 0.000 0.218 214 L C 1.170 178.089 176.870 0.081 0.000 1.130 214 L CA 0.999 55.937 54.840 0.163 0.000 0.826 214 L CB -0.944 41.181 42.059 0.109 0.000 0.941 214 L HN 0.036 nan 8.230 nan 0.000 0.451 215 S N -0.289 115.422 115.700 0.018 0.000 2.438 215 S HA 0.286 4.756 4.470 -0.000 0.000 0.316 215 S C 1.130 175.675 174.600 -0.092 0.000 1.084 215 S CA -0.630 57.465 58.200 -0.175 0.000 1.107 215 S CB 0.825 63.624 63.200 -0.667 0.000 0.981 215 S HN -0.003 nan 8.310 nan 0.000 0.466 216 L N 7.180 128.353 121.223 -0.084 0.000 1.971 216 L HA 0.003 4.343 4.340 -0.000 0.000 0.215 216 L C -0.677 176.167 176.870 -0.043 0.000 1.072 216 L CA 2.026 56.839 54.840 -0.046 0.000 0.758 216 L CB -2.179 39.851 42.059 -0.048 0.000 0.889 216 L HN 0.498 nan 8.230 nan 0.000 0.433 217 P HA -0.145 nan 4.420 nan 0.000 0.217 217 P C 1.819 179.123 177.300 0.006 0.000 1.151 217 P CA 1.605 64.677 63.100 -0.045 0.000 0.849 217 P CB 0.019 31.674 31.700 -0.075 0.000 0.787 218 S N -1.371 114.348 115.700 0.032 0.000 2.453 218 S HA -0.053 4.417 4.470 -0.000 0.000 0.231 218 S C 1.798 176.571 174.600 0.287 0.000 1.005 218 S CA 0.574 58.884 58.200 0.183 0.000 0.949 218 S CB -0.428 62.970 63.200 0.331 0.000 0.774 218 S HN 0.072 nan 8.310 nan 0.000 0.510 219 R N 2.248 122.836 120.500 0.145 0.000 2.094 219 R HA -0.079 4.261 4.340 -0.000 0.000 0.239 219 R C 2.470 178.612 176.300 -0.263 0.000 1.137 219 R CA 1.849 57.895 56.100 -0.090 0.000 0.943 219 R CB -1.731 28.515 30.300 -0.090 0.000 0.850 219 R HN 0.607 nan 8.270 nan 0.000 0.433 220 S N 0.692 116.317 115.700 -0.125 0.000 2.584 220 S HA -0.018 4.452 4.470 -0.000 0.000 0.240 220 S C 1.741 176.262 174.600 -0.132 0.000 0.975 220 S CA 0.706 58.827 58.200 -0.132 0.000 0.949 220 S CB -0.389 62.779 63.200 -0.053 0.000 0.761 220 S HN 0.290 nan 8.310 nan 0.000 0.536 221 L N -0.162 121.021 121.223 -0.066 0.000 2.693 221 L HA 0.489 4.829 4.340 -0.000 0.000 0.235 221 L C 0.087 176.989 176.870 0.053 0.000 1.127 221 L CA -0.427 54.425 54.840 0.020 0.000 0.914 221 L CB -0.137 41.977 42.059 0.092 0.000 1.193 221 L HN 0.469 nan 8.230 nan 0.000 0.502 222 F N -3.501 116.253 119.950 -0.326 0.000 2.686 222 F HA 0.519 5.046 4.527 -0.000 0.000 0.311 222 F C 0.258 175.723 175.800 -0.558 0.000 1.128 222 F CA -1.126 56.678 58.000 -0.326 0.000 0.946 222 F CB 0.921 39.862 39.000 -0.099 0.000 1.336 222 F HN -0.138 nan 8.300 nan 0.000 0.457 223 H N -1.043 118.015 119.070 -0.019 0.000 2.735 223 H HA 0.488 5.044 4.556 -0.000 0.000 0.250 223 H C -0.055 175.263 175.328 -0.016 0.000 0.948 223 H CA -0.070 55.905 56.048 -0.123 0.000 1.137 223 H CB 0.497 30.213 29.762 -0.076 0.000 1.440 223 H HN 0.370 nan 8.280 nan 0.000 0.444 224 R N 0.361 121.005 120.500 0.240 0.000 2.892 224 R HA 0.823 5.163 4.340 -0.000 0.000 0.265 224 R C -1.280 175.282 176.300 0.437 0.000 1.025 224 R CA -0.888 55.345 56.100 0.222 0.000 0.982 224 R CB 2.391 32.632 30.300 -0.100 0.000 1.185 224 R HN 0.205 nan 8.270 nan 0.000 0.484 225 A N 1.095 124.206 122.820 0.485 0.000 2.520 225 A HA 0.610 4.930 4.320 -0.000 0.000 0.298 225 A C -1.423 176.346 177.584 0.308 0.000 1.051 225 A CA -0.584 51.684 52.037 0.385 0.000 0.690 225 A CB 1.826 21.012 19.000 0.310 0.000 1.281 225 A HN 0.346 nan 8.150 nan 0.000 0.402 226 V N 2.275 122.338 119.914 0.248 0.000 2.540 226 V HA 0.543 4.663 4.120 -0.000 0.000 0.302 226 V C -1.104 175.113 176.094 0.204 0.000 1.035 226 V CA -0.337 62.060 62.300 0.161 0.000 0.873 226 V CB 1.411 33.408 31.823 0.291 0.000 0.992 226 V HN 0.700 nan 8.190 nan 0.000 0.428 227 L N 5.284 126.601 121.223 0.156 0.000 2.353 227 L HA 0.499 4.839 4.340 -0.000 0.000 0.270 227 L C -0.026 176.968 176.870 0.206 0.000 1.003 227 L CA 0.021 54.939 54.840 0.130 0.000 0.862 227 L CB 1.533 43.616 42.059 0.040 0.000 1.221 227 L HN 0.619 nan 8.230 nan 0.000 0.430 228 Q N 1.489 121.456 119.800 0.278 0.000 2.256 228 Q HA 0.399 4.739 4.340 -0.000 0.000 0.254 228 Q C 0.516 176.659 176.000 0.238 0.000 0.916 228 Q CA -0.564 55.456 55.803 0.361 0.000 0.932 228 Q CB 1.275 30.280 28.738 0.446 0.000 1.207 228 Q HN 0.598 nan 8.270 nan 0.000 0.426 229 S N 0.647 116.490 115.700 0.239 0.000 3.365 229 S HA -0.212 4.258 4.470 -0.000 0.000 0.377 229 S C 0.150 174.953 174.600 0.338 0.000 1.043 229 S CA 0.656 59.019 58.200 0.272 0.000 1.101 229 S CB -1.211 62.176 63.200 0.312 0.000 0.900 229 S HN 0.950 nan 8.310 nan 0.000 0.480 230 G N -0.580 108.362 108.800 0.238 0.000 2.667 230 G HA2 0.631 4.591 3.960 -0.000 0.000 0.294 230 G HA3 0.631 4.591 3.960 -0.000 0.000 0.294 230 G C -0.867 174.099 174.900 0.111 0.000 1.467 230 G CA 0.087 45.369 45.100 0.303 0.000 0.852 230 G HN 0.791 nan 8.290 nan 0.000 0.521 231 T N -1.479 113.084 114.554 0.014 0.000 2.864 231 T HA 0.764 5.114 4.350 -0.000 0.000 0.299 231 T C -2.407 172.121 174.700 -0.286 0.000 1.166 231 T CA -1.448 60.569 62.100 -0.139 0.000 1.007 231 T CB 3.118 71.888 68.868 -0.162 0.000 1.219 231 T HN 0.287 nan 8.240 nan 0.000 0.506 232 P HA 0.086 nan 4.420 nan 0.000 0.240 232 P C 0.598 177.738 177.300 -0.266 0.000 1.190 232 P CA 0.361 63.323 63.100 -0.230 0.000 0.781 232 P CB 0.134 31.753 31.700 -0.136 0.000 0.931 233 N N -0.208 118.331 118.700 -0.267 0.000 2.299 233 N HA 0.012 4.752 4.740 -0.000 0.000 0.187 233 N C 1.158 176.486 175.510 -0.303 0.000 1.099 233 N CA 0.076 52.984 53.050 -0.237 0.000 0.867 233 N CB -0.696 37.695 38.487 -0.160 0.000 0.974 233 N HN -0.092 nan 8.380 nan 0.000 0.477 234 G N 2.255 110.776 108.800 -0.465 0.000 2.413 234 G HA2 0.030 3.990 3.960 -0.000 0.000 0.300 234 G HA3 0.030 3.990 3.960 -0.000 0.000 0.300 234 G C -1.271 173.352 174.900 -0.461 0.000 1.370 234 G CA -0.214 44.562 45.100 -0.539 0.000 1.110 234 G HN 0.208 nan 8.290 nan 0.000 0.596 235 P HA 0.122 nan 4.420 nan 0.000 0.267 235 P C 0.932 178.150 177.300 -0.137 0.000 1.289 235 P CA 0.485 63.420 63.100 -0.276 0.000 0.866 235 P CB 0.245 31.723 31.700 -0.370 0.000 1.309 236 W N -1.519 119.669 121.300 -0.187 0.000 2.873 236 W HA 0.519 5.179 4.660 -0.000 0.000 0.282 236 W C 1.019 177.617 176.519 0.133 0.000 1.118 236 W CA 0.465 57.786 57.345 -0.041 0.000 1.480 236 W CB -0.780 28.684 29.460 0.008 0.000 0.954 236 W HN -0.187 nan 8.180 nan 0.000 0.591 237 A N 1.998 124.525 122.820 -0.488 0.000 2.119 237 A HA 0.091 4.411 4.320 -0.000 0.000 0.217 237 A C 1.149 178.649 177.584 -0.140 0.000 1.153 237 A CA 1.889 53.747 52.037 -0.298 0.000 0.692 237 A CB -0.831 17.711 19.000 -0.763 0.000 0.799 237 A HN 0.283 nan 8.150 nan 0.000 0.458 238 T N -3.480 110.980 114.554 -0.156 0.000 2.864 238 T HA 0.605 4.955 4.350 -0.000 0.000 0.299 238 T C -0.697 173.946 174.700 -0.094 0.000 1.166 238 T CA -0.104 61.906 62.100 -0.150 0.000 1.007 238 T CB 1.462 70.240 68.868 -0.149 0.000 1.219 238 T HN 0.932 nan 8.240 nan 0.000 0.506 239 V N -0.831 119.032 119.914 -0.085 0.000 3.040 239 V HA 0.927 5.047 4.120 -0.000 0.000 0.312 239 V C 0.343 176.409 176.094 -0.047 0.000 1.115 239 V CA -0.682 61.583 62.300 -0.058 0.000 0.998 239 V CB 1.277 33.068 31.823 -0.054 0.000 1.042 239 V HN 1.399 nan 8.190 nan 0.000 0.433 240 S N 1.743 117.421 115.700 -0.036 0.000 2.661 240 S HA 0.699 5.169 4.470 -0.000 0.000 0.265 240 S C 1.362 175.953 174.600 -0.016 0.000 1.225 240 S CA 0.071 58.256 58.200 -0.025 0.000 0.986 240 S CB 1.144 64.331 63.200 -0.022 0.000 1.008 240 S HN 1.857 nan 8.310 nan 0.000 0.565 241 A N 0.944 123.759 122.820 -0.008 0.000 1.841 241 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 241 A C 2.296 179.878 177.584 -0.003 0.000 1.195 241 A CA 1.652 53.688 52.037 -0.001 0.000 0.611 241 A CB -2.010 16.991 19.000 0.002 0.000 0.835 241 A HN 1.180 nan 8.150 nan 0.000 0.443 242 G N -0.617 108.179 108.800 -0.006 0.000 2.505 242 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.220 242 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.220 242 G C 1.509 176.403 174.900 -0.010 0.000 1.145 242 G CA 1.263 46.359 45.100 -0.007 0.000 0.761 242 G HN 0.460 nan 8.290 nan 0.000 0.571 243 E N 0.693 120.883 120.200 -0.016 0.000 2.047 243 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 243 E C 3.017 179.602 176.600 -0.024 0.000 0.987 243 E CA 1.007 57.392 56.400 -0.026 0.000 0.799 243 E CB -0.585 29.093 29.700 -0.037 0.000 0.752 243 E HN 0.307 nan 8.360 nan 0.000 0.449 244 A N 1.476 124.290 122.820 -0.011 0.000 1.892 244 A HA -0.258 4.062 4.320 -0.000 0.000 0.218 244 A C 2.263 179.872 177.584 0.042 0.000 1.188 244 A CA 2.122 54.172 52.037 0.021 0.000 0.631 244 A CB -0.575 18.445 19.000 0.032 0.000 0.822 244 A HN 0.207 nan 8.150 nan 0.000 0.447 245 R N -0.738 119.773 120.500 0.017 0.000 2.070 245 R HA -0.128 4.211 4.340 -0.000 0.000 0.233 245 R C 2.473 178.782 176.300 0.014 0.000 1.137 245 R CA 1.494 57.601 56.100 0.011 0.000 0.945 245 R CB -0.391 29.910 30.300 0.001 0.000 0.845 245 R HN 0.473 nan 8.270 nan 0.000 0.430 246 R N 0.655 121.158 120.500 0.004 0.000 2.139 246 R HA -0.166 4.174 4.340 -0.000 0.000 0.243 246 R C 1.972 178.278 176.300 0.009 0.000 1.145 246 R CA 1.892 57.993 56.100 0.001 0.000 0.976 246 R CB -0.091 30.204 30.300 -0.009 0.000 0.866 246 R HN 0.344 nan 8.270 nan 0.000 0.449 247 R N -0.696 119.809 120.500 0.008 0.000 2.127 247 R HA 0.063 4.403 4.340 -0.000 0.000 0.217 247 R C 2.297 178.706 176.300 0.181 0.000 1.074 247 R CA 0.846 56.953 56.100 0.011 0.000 0.991 247 R CB -0.121 30.069 30.300 -0.184 0.000 0.895 247 R HN 0.189 nan 8.270 nan 0.000 0.450 248 A N 1.359 124.290 122.820 0.185 0.000 1.841 248 A HA -0.170 4.150 4.320 -0.000 0.000 0.214 248 A C 2.357 179.957 177.584 0.026 0.000 1.195 248 A CA 2.045 54.153 52.037 0.117 0.000 0.611 248 A CB -1.167 17.833 19.000 0.001 0.000 0.835 248 A HN 0.435 nan 8.150 nan 0.000 0.443 249 T N -1.171 113.388 114.554 0.008 0.000 2.699 249 T HA -0.222 4.128 4.350 -0.000 0.000 0.268 249 T C 1.803 176.506 174.700 0.004 0.000 1.036 249 T CA 1.742 63.838 62.100 -0.006 0.000 1.147 249 T CB -0.699 68.166 68.868 -0.006 0.000 0.862 249 T HN 0.305 nan 8.240 nan 0.000 0.446 250 L N 1.005 122.242 121.223 0.023 0.000 1.994 250 L HA 0.144 4.484 4.340 -0.000 0.000 0.208 250 L C 2.495 179.378 176.870 0.023 0.000 1.071 250 L CA 1.802 56.655 54.840 0.022 0.000 0.745 250 L CB -0.997 41.080 42.059 0.030 0.000 0.892 250 L HN 0.389 nan 8.230 nan 0.000 0.431 251 L N -0.305 120.961 121.223 0.072 0.000 2.012 251 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 251 L C 2.522 179.386 176.870 -0.009 0.000 1.073 251 L CA 2.049 56.930 54.840 0.068 0.000 0.748 251 L CB -0.775 41.383 42.059 0.167 0.000 0.891 251 L HN 0.335 nan 8.230 nan 0.000 0.431 252 A N -0.035 122.772 122.820 -0.022 0.000 1.849 252 A HA -0.334 3.986 4.320 -0.000 0.000 0.217 252 A C 2.469 180.033 177.584 -0.034 0.000 1.202 252 A CA 2.265 54.281 52.037 -0.035 0.000 0.629 252 A CB -0.953 18.020 19.000 -0.045 0.000 0.834 252 A HN 0.550 nan 8.150 nan 0.000 0.447 253 R N -0.537 119.945 120.500 -0.032 0.000 2.134 253 R HA -0.206 4.134 4.340 -0.000 0.000 0.248 253 R C 2.049 178.310 176.300 -0.066 0.000 1.143 253 R CA 2.100 58.179 56.100 -0.035 0.000 0.957 253 R CB -0.544 29.741 30.300 -0.025 0.000 0.867 253 R HN 0.591 nan 8.270 nan 0.000 0.441 254 L N -0.463 120.687 121.223 -0.120 0.000 2.191 254 L HA -0.108 4.232 4.340 -0.000 0.000 0.212 254 L C 2.119 178.825 176.870 -0.273 0.000 1.103 254 L CA 0.562 55.242 54.840 -0.267 0.000 0.769 254 L CB -0.124 41.627 42.059 -0.513 0.000 0.908 254 L HN 0.106 nan 8.230 nan 0.000 0.438 255 V N -0.043 119.792 119.914 -0.131 0.000 3.633 255 V HA 0.187 4.307 4.120 -0.000 0.000 0.283 255 V C 1.336 177.436 176.094 0.011 0.000 1.305 255 V CA 0.964 63.260 62.300 -0.006 0.000 1.153 255 V CB -0.182 31.675 31.823 0.056 0.000 0.950 255 V HN 0.705 nan 8.190 nan 0.000 0.432 256 G N -0.281 108.512 108.800 -0.012 0.000 2.137 256 G HA2 -0.229 3.731 3.960 -0.000 0.000 0.237 256 G HA3 -0.229 3.731 3.960 -0.000 0.000 0.237 256 G C 0.061 174.964 174.900 0.005 0.000 1.002 256 G CA 0.026 45.128 45.100 0.002 0.000 0.702 256 G HN 0.507 nan 8.290 nan 0.000 0.515 257 c N 2.348 120.947 118.600 -0.001 0.000 2.316 257 c HA 0.685 5.255 4.570 -0.000 0.000 0.324 257 c C -1.431 172.655 174.090 -0.006 0.000 1.226 257 c CA -1.389 54.941 56.329 0.002 0.000 1.450 257 c CB 1.715 44.231 42.510 0.010 0.000 2.123 257 c HN 0.454 nan 8.230 nan 0.000 0.454 258 P HA 0.406 nan 4.420 nan 0.000 0.280 258 P C -2.789 174.513 177.300 0.003 0.000 1.272 258 P CA -1.501 61.601 63.100 0.003 0.000 0.819 258 P CB 0.560 32.262 31.700 0.003 0.000 1.122 259 P HA 0.216 nan 4.420 nan 0.000 0.278 259 P C 0.513 177.816 177.300 0.005 0.000 1.238 259 P CA 0.778 63.882 63.100 0.006 0.000 0.794 259 P CB 0.243 31.948 31.700 0.009 0.000 0.955 260 G N 2.105 110.908 108.800 0.005 0.000 2.698 260 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.233 260 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.233 260 G C 0.615 175.517 174.900 0.003 0.000 1.352 260 G CA -0.244 44.859 45.100 0.005 0.000 0.879 260 G HN 0.714 nan 8.290 nan 0.000 0.567 261 G N 0.099 108.901 108.800 0.003 0.000 3.379 261 G HA2 0.648 4.608 3.960 -0.000 0.000 0.253 261 G HA3 0.648 4.608 3.960 -0.000 0.000 0.253 261 G C 0.651 175.552 174.900 0.002 0.000 1.262 261 G CA 1.400 46.502 45.100 0.003 0.000 0.959 261 G HN 1.779 nan 8.290 nan 0.000 0.524 262 A N -0.590 122.232 122.820 0.003 0.000 2.279 262 A HA 0.954 5.274 4.320 -0.000 0.000 0.303 262 A C 0.604 178.188 177.584 0.002 0.000 1.108 262 A CA 0.192 52.230 52.037 0.003 0.000 0.830 262 A CB 1.152 20.154 19.000 0.004 0.000 1.106 262 A HN 1.402 nan 8.150 nan 0.000 0.493 263 G N -2.140 106.661 108.800 0.001 0.000 2.320 263 G HA2 0.556 4.516 3.960 -0.000 0.000 0.297 263 G HA3 0.556 4.516 3.960 -0.000 0.000 0.297 263 G C 0.365 175.265 174.900 0.000 0.000 1.344 263 G CA 0.699 45.799 45.100 0.000 0.000 0.851 263 G HN 2.340 nan 8.290 nan 0.000 0.567 264 G N -0.735 108.065 108.800 -0.001 0.000 2.218 264 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.216 264 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.216 264 G C 0.143 175.044 174.900 0.000 0.000 0.994 264 G CA 0.681 45.781 45.100 0.000 0.000 0.637 264 G HN 1.345 nan 8.290 nan 0.000 0.505 265 N N 0.838 119.538 118.700 0.001 0.000 2.483 265 N HA 0.354 5.094 4.740 -0.000 0.000 0.267 265 N C 0.163 175.674 175.510 0.000 0.000 0.998 265 N CA -0.306 52.745 53.050 0.002 0.000 0.918 265 N CB 1.421 39.910 38.487 0.005 0.000 1.215 265 N HN -0.002 nan 8.380 nan 0.000 0.500 266 D N 1.689 122.088 120.400 -0.002 0.000 2.144 266 D HA -0.097 4.542 4.640 -0.000 0.000 0.200 266 D C 1.292 177.592 176.300 -0.000 0.000 0.978 266 D CA 1.489 55.485 54.000 -0.007 0.000 0.833 266 D CB 0.153 40.947 40.800 -0.010 0.000 0.961 266 D HN 0.550 nan 8.370 nan 0.000 0.470 267 T N 1.257 115.816 114.554 0.008 0.000 2.684 267 T HA -0.145 4.205 4.350 -0.000 0.000 0.267 267 T C 1.801 176.514 174.700 0.022 0.000 1.036 267 T CA 1.172 63.283 62.100 0.018 0.000 1.148 267 T CB -0.220 68.659 68.868 0.017 0.000 0.863 267 T HN 0.320 nan 8.240 nan 0.000 0.436 268 E N 0.686 120.895 120.200 0.015 0.000 2.150 268 E HA 0.005 4.355 4.350 -0.000 0.000 0.193 268 E C 2.211 178.822 176.600 0.018 0.000 0.985 268 E CA 0.508 56.918 56.400 0.016 0.000 0.814 268 E CB -0.250 29.457 29.700 0.011 0.000 0.752 268 E HN 0.358 nan 8.360 nan 0.000 0.466 269 L N 1.091 122.320 121.223 0.010 0.000 2.046 269 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 269 L C 2.117 178.995 176.870 0.015 0.000 1.077 269 L CA 0.927 55.769 54.840 0.003 0.000 0.747 269 L CB -0.013 42.038 42.059 -0.014 0.000 0.896 269 L HN 0.159 nan 8.230 nan 0.000 0.432 270 I N -0.221 120.364 120.570 0.025 0.000 2.353 270 I HA -0.161 4.009 4.170 -0.000 0.000 0.248 270 I C 2.815 179.013 176.117 0.135 0.000 1.119 270 I CA 1.203 62.552 61.300 0.082 0.000 1.417 270 I CB -1.809 36.248 38.000 0.095 0.000 1.078 270 I HN 0.253 nan 8.210 nan 0.000 0.421 271 A N 0.733 123.599 122.820 0.078 0.000 1.865 271 A HA -0.297 4.023 4.320 -0.000 0.000 0.217 271 A C 2.686 180.305 177.584 0.057 0.000 1.191 271 A CA 2.094 54.167 52.037 0.060 0.000 0.623 271 A CB -1.424 17.598 19.000 0.036 0.000 0.826 271 A HN 0.551 nan 8.150 nan 0.000 0.444 272 c N -0.666 117.963 118.600 0.049 0.000 2.413 272 c HA -0.079 4.491 4.570 -0.000 0.000 0.276 272 c C 2.622 176.749 174.090 0.061 0.000 1.248 272 c CA 1.271 57.625 56.329 0.042 0.000 1.742 272 c CB -1.582 40.946 42.510 0.029 0.000 2.017 272 c HN 0.594 nan 8.230 nan 0.000 0.481 273 L N -0.056 121.226 121.223 0.099 0.000 2.141 273 L HA -0.063 4.277 4.340 -0.000 0.000 0.209 273 L C 2.901 179.873 176.870 0.170 0.000 1.094 273 L CA 1.291 56.227 54.840 0.158 0.000 0.763 273 L CB -0.600 41.600 42.059 0.235 0.000 0.908 273 L HN 0.312 nan 8.230 nan 0.000 0.437 274 R N -0.711 119.873 120.500 0.141 0.000 2.328 274 R HA -0.103 4.237 4.340 -0.000 0.000 0.207 274 R C 1.956 178.243 176.300 -0.021 0.000 1.056 274 R CA 1.447 57.550 56.100 0.005 0.000 1.016 274 R CB -0.105 30.189 30.300 -0.011 0.000 0.872 274 R HN 0.472 nan 8.270 nan 0.000 0.471 275 T N -2.321 112.240 114.554 0.011 0.000 3.022 275 T HA 0.157 4.507 4.350 -0.000 0.000 0.250 275 T C 0.765 175.465 174.700 0.000 0.000 1.060 275 T CA -0.347 61.752 62.100 -0.002 0.000 1.013 275 T CB 0.312 69.184 68.868 0.007 0.000 0.982 275 T HN -0.134 nan 8.240 nan 0.000 0.508 276 R N 2.697 123.208 120.500 0.019 0.000 2.438 276 R HA 0.406 4.746 4.340 -0.000 0.000 0.287 276 R C -2.677 173.627 176.300 0.006 0.000 1.077 276 R CA -2.417 53.697 56.100 0.024 0.000 1.034 276 R CB -0.102 30.229 30.300 0.052 0.000 0.993 276 R HN 0.264 nan 8.270 nan 0.000 0.459 277 P HA -0.068 nan 4.420 nan 0.000 0.267 277 P C 0.366 177.637 177.300 -0.049 0.000 1.201 277 P CA 0.320 63.387 63.100 -0.054 0.000 0.775 277 P CB 0.570 32.245 31.700 -0.041 0.000 0.854 278 A N 2.491 125.205 122.820 -0.177 0.000 1.865 278 A HA -0.277 4.043 4.320 -0.000 0.000 0.217 278 A C 2.108 179.732 177.584 0.067 0.000 1.191 278 A CA 1.958 53.905 52.037 -0.151 0.000 0.623 278 A CB -1.464 16.981 19.000 -0.925 0.000 0.826 278 A HN 0.540 nan 8.150 nan 0.000 0.444 279 Q N 0.037 119.824 119.800 -0.022 0.000 2.368 279 Q HA -0.180 4.160 4.340 -0.000 0.000 0.210 279 Q C 1.096 177.192 176.000 0.159 0.000 0.982 279 Q CA 1.934 57.889 55.803 0.253 0.000 0.884 279 Q CB -0.551 28.313 28.738 0.211 0.000 0.933 279 Q HN 0.679 nan 8.270 nan 0.000 0.460 280 D N -1.295 119.167 120.400 0.102 0.000 2.117 280 D HA -0.113 4.527 4.640 -0.000 0.000 0.198 280 D C 1.301 177.666 176.300 0.108 0.000 0.982 280 D CA 0.734 54.790 54.000 0.092 0.000 0.828 280 D CB 0.085 40.937 40.800 0.087 0.000 0.967 280 D HN 0.210 nan 8.370 nan 0.000 0.464 281 L N 0.299 121.587 121.223 0.107 0.000 2.005 281 L HA -0.066 4.274 4.340 -0.000 0.000 0.207 281 L C 2.485 179.374 176.870 0.032 0.000 1.072 281 L CA 0.889 55.750 54.840 0.036 0.000 0.744 281 L CB -1.383 40.608 42.059 -0.115 0.000 0.895 281 L HN 0.017 nan 8.230 nan 0.000 0.433 282 V N 0.328 120.326 119.914 0.139 0.000 2.546 282 V HA -0.280 3.840 4.120 -0.000 0.000 0.254 282 V C 2.197 178.342 176.094 0.085 0.000 1.076 282 V CA 1.570 63.970 62.300 0.167 0.000 1.087 282 V CB -0.630 31.400 31.823 0.345 0.000 0.674 282 V HN 0.379 nan 8.190 nan 0.000 0.470 283 D N -1.081 119.320 120.400 0.002 0.000 2.219 283 D HA -0.099 4.541 4.640 -0.000 0.000 0.205 283 D C 1.702 177.713 176.300 -0.481 0.000 0.970 283 D CA 1.151 55.042 54.000 -0.182 0.000 0.851 283 D CB -0.149 40.483 40.800 -0.279 0.000 0.943 283 D HN 0.530 nan 8.370 nan 0.000 0.488 284 H N -0.373 118.595 119.070 -0.169 0.000 2.528 284 H HA 0.163 4.719 4.556 -0.000 0.000 0.282 284 H C 1.341 176.530 175.328 -0.232 0.000 1.097 284 H CA -0.119 55.700 56.048 -0.381 0.000 1.121 284 H CB 0.674 30.332 29.762 -0.175 0.000 1.590 284 H HN 0.284 nan 8.280 nan 0.000 0.553 285 E N 0.588 120.716 120.200 -0.119 0.000 2.085 285 E HA -0.184 4.166 4.350 -0.000 0.000 0.194 285 E C 0.847 177.282 176.600 -0.274 0.000 0.994 285 E CA 1.211 57.491 56.400 -0.200 0.000 0.801 285 E CB 0.105 29.496 29.700 -0.514 0.000 0.743 285 E HN 0.483 nan 8.360 nan 0.000 0.453 286 W N -0.763 120.553 121.300 0.027 0.000 3.139 286 W HA 0.071 4.731 4.660 -0.000 0.000 0.260 286 W C 1.448 178.102 176.519 0.224 0.000 1.312 286 W CA 0.033 57.420 57.345 0.069 0.000 1.606 286 W CB 0.170 29.649 29.460 0.033 0.000 1.118 286 W HN 0.213 nan 8.180 nan 0.000 0.675 287 H N -0.298 118.924 119.070 0.252 0.000 2.539 287 H HA 0.007 4.563 4.556 -0.000 0.000 0.267 287 H C 1.850 177.242 175.328 0.107 0.000 0.982 287 H CA 0.586 56.744 56.048 0.183 0.000 1.146 287 H CB 0.235 30.128 29.762 0.218 0.000 1.382 287 H HN 0.141 nan 8.280 nan 0.000 0.577 288 V N -1.534 118.484 119.914 0.174 0.000 3.647 288 V HA 0.170 4.289 4.120 -0.000 0.000 0.279 288 V C 0.617 176.709 176.094 -0.003 0.000 1.314 288 V CA -0.106 62.225 62.300 0.052 0.000 1.125 288 V CB -0.380 31.430 31.823 -0.022 0.000 0.907 288 V HN 0.146 nan 8.190 nan 0.000 0.434 289 L N 2.553 123.803 121.223 0.045 0.000 2.456 289 L HA 0.255 4.595 4.340 -0.000 0.000 0.272 289 L C -0.302 176.576 176.870 0.014 0.000 1.189 289 L CA -0.960 53.893 54.840 0.022 0.000 0.846 289 L CB 1.132 43.234 42.059 0.071 0.000 1.111 289 L HN 0.159 nan 8.230 nan 0.000 0.475 290 P HA -0.049 nan 4.420 nan 0.000 0.225 290 P C -0.416 176.881 177.300 -0.005 0.000 1.156 290 P CA 0.862 63.958 63.100 -0.007 0.000 0.787 290 P CB 0.633 32.324 31.700 -0.016 0.000 0.802 291 Q N -1.201 118.594 119.800 -0.007 0.000 2.462 291 Q HA 0.330 4.670 4.340 -0.000 0.000 0.285 291 Q C -0.789 175.201 176.000 -0.016 0.000 1.035 291 Q CA -0.700 55.096 55.803 -0.012 0.000 0.799 291 Q CB 1.389 30.118 28.738 -0.016 0.000 1.452 291 Q HN -0.061 nan 8.270 nan 0.000 0.404 292 E N 0.989 121.177 120.200 -0.020 0.000 2.376 292 E HA 0.396 4.746 4.350 -0.000 0.000 0.266 292 E C -0.851 175.724 176.600 -0.043 0.000 1.009 292 E CA 0.241 56.623 56.400 -0.030 0.000 0.902 292 E CB 0.424 30.107 29.700 -0.027 0.000 0.972 292 E HN 0.650 nan 8.360 nan 0.000 0.439 293 S N 3.401 119.064 115.700 -0.062 0.000 2.703 293 S HA 0.633 5.103 4.470 -0.000 0.000 0.273 293 S C -0.676 173.862 174.600 -0.103 0.000 1.178 293 S CA -0.955 57.199 58.200 -0.077 0.000 0.838 293 S CB 0.490 63.642 63.200 -0.079 0.000 1.178 293 S HN 0.574 nan 8.310 nan 0.000 0.494 294 I N -3.687 116.818 120.570 -0.108 0.000 2.894 294 I HA 0.797 4.967 4.170 -0.000 0.000 0.302 294 I C -0.532 175.510 176.117 -0.125 0.000 1.188 294 I CA -1.147 60.092 61.300 -0.100 0.000 1.014 294 I CB 1.527 39.515 38.000 -0.020 0.000 1.242 294 I HN 0.771 nan 8.210 nan 0.000 0.430 295 F N 1.658 121.375 119.950 -0.387 0.000 3.074 295 F HA -0.199 4.328 4.527 -0.000 0.000 0.287 295 F C -0.121 175.137 175.800 -0.904 0.000 0.932 295 F CA 0.816 58.374 58.000 -0.737 0.000 0.995 295 F CB -0.775 37.675 39.000 -0.917 0.000 0.966 295 F HN 0.770 nan 8.300 nan 0.000 0.721 296 R N 0.728 120.737 120.500 -0.818 0.000 2.564 296 R HA 0.667 5.007 4.340 -0.000 0.000 0.284 296 R C -1.475 174.395 176.300 -0.715 0.000 1.031 296 R CA -0.397 55.359 56.100 -0.574 0.000 0.904 296 R CB 0.993 31.160 30.300 -0.221 0.000 1.199 296 R HN -0.034 nan 8.270 nan 0.000 0.443 297 F N 1.074 121.186 119.950 0.269 0.000 2.546 297 F HA 0.374 4.900 4.527 -0.000 0.000 0.320 297 F C 1.261 177.123 175.800 0.102 0.000 1.076 297 F CA -0.854 57.338 58.000 0.320 0.000 0.928 297 F CB 2.312 41.562 39.000 0.417 0.000 1.189 297 F HN 0.521 nan 8.300 nan 0.000 0.465 298 S N 0.421 116.174 115.700 0.087 0.000 2.357 298 S HA 0.006 4.476 4.470 -0.000 0.000 0.221 298 S C -0.000 174.202 174.600 -0.663 0.000 1.031 298 S CA 0.939 58.912 58.200 -0.378 0.000 0.982 298 S CB -0.243 62.592 63.200 -0.608 0.000 0.853 298 S HN 0.338 nan 8.310 nan 0.000 0.458 299 F N 2.262 122.242 119.950 0.050 0.000 2.382 299 F HA 0.628 5.155 4.527 -0.000 0.000 0.361 299 F C -0.003 175.832 175.800 0.059 0.000 1.109 299 F CA -1.096 56.950 58.000 0.077 0.000 1.031 299 F CB 1.544 40.589 39.000 0.075 0.000 1.234 299 F HN -0.024 nan 8.300 nan 0.000 0.445 300 V N 0.842 120.738 119.914 -0.030 0.000 3.202 300 V HA 0.737 4.857 4.120 -0.000 0.000 0.306 300 V C -2.978 172.692 176.094 -0.708 0.000 1.283 300 V CA -3.256 58.633 62.300 -0.684 0.000 1.065 300 V CB 1.961 33.609 31.823 -0.292 0.000 1.079 300 V HN 0.256 nan 8.190 nan 0.000 0.448 301 P HA 0.170 nan 4.420 nan 0.000 0.263 301 P C -0.746 176.406 177.300 -0.246 0.000 1.175 301 P CA 0.530 63.299 63.100 -0.552 0.000 0.761 301 P CB 0.579 31.890 31.700 -0.649 0.000 0.794 302 V N 5.030 124.885 119.914 -0.098 0.000 2.628 302 V HA 0.250 4.369 4.120 -0.000 0.000 0.306 302 V C -0.264 175.818 176.094 -0.019 0.000 1.045 302 V CA -0.861 61.413 62.300 -0.043 0.000 0.905 302 V CB 2.184 34.011 31.823 0.007 0.000 0.997 302 V HN 0.123 nan 8.190 nan 0.000 0.436 303 V N 7.395 127.299 119.914 -0.017 0.000 2.242 303 V HA 0.145 4.265 4.120 -0.000 0.000 0.242 303 V C 0.866 176.971 176.094 0.019 0.000 1.240 303 V CA 0.442 62.743 62.300 0.003 0.000 1.211 303 V CB -0.048 31.769 31.823 -0.010 0.000 1.338 303 V HN 1.091 nan 8.190 nan 0.000 0.499 304 D N 2.339 122.763 120.400 0.040 0.000 2.289 304 D HA 0.080 4.720 4.640 -0.000 0.000 0.207 304 D C 1.574 177.902 176.300 0.046 0.000 0.966 304 D CA 0.928 54.955 54.000 0.045 0.000 0.868 304 D CB 0.058 40.897 40.800 0.064 0.000 0.943 304 D HN 0.649 nan 8.370 nan 0.000 0.514 305 G N 0.506 109.337 108.800 0.051 0.000 2.132 305 G HA2 -0.276 3.683 3.960 -0.000 0.000 0.228 305 G HA3 -0.276 3.683 3.960 -0.000 0.000 0.228 305 G C 0.165 175.094 174.900 0.048 0.000 1.000 305 G CA 0.589 45.713 45.100 0.041 0.000 0.693 305 G HN 0.565 nan 8.290 nan 0.000 0.515 306 D N -1.942 118.504 120.400 0.076 0.000 3.000 306 D HA 0.285 4.925 4.640 -0.000 0.000 0.190 306 D C 1.639 178.002 176.300 0.105 0.000 1.503 306 D CA 0.345 54.395 54.000 0.082 0.000 1.496 306 D CB -0.516 40.344 40.800 0.100 0.000 1.163 306 D HN 0.066 nan 8.370 nan 0.000 0.231 307 F N 1.011 120.975 119.950 0.024 0.000 2.161 307 F HA 0.222 4.749 4.527 -0.000 0.000 0.300 307 F C 0.200 176.010 175.800 0.017 0.000 1.089 307 F CA 1.168 59.185 58.000 0.027 0.000 1.282 307 F CB 0.229 39.245 39.000 0.027 0.000 1.010 307 F HN -0.007 nan 8.300 nan 0.000 0.485 308 L N 0.356 121.726 121.223 0.245 0.000 2.342 308 L HA 0.211 4.551 4.340 -0.000 0.000 0.276 308 L C 1.259 178.173 176.870 0.073 0.000 0.997 308 L CA -0.372 54.552 54.840 0.140 0.000 0.838 308 L CB 1.703 43.844 42.059 0.137 0.000 1.224 308 L HN -0.050 nan 8.230 nan 0.000 0.416 309 S N 0.392 116.116 115.700 0.039 0.000 2.447 309 S HA -0.001 4.469 4.470 -0.000 0.000 0.233 309 S C 0.431 175.045 174.600 0.023 0.000 1.006 309 S CA 0.440 58.655 58.200 0.025 0.000 0.957 309 S CB 0.131 63.338 63.200 0.010 0.000 0.773 309 S HN 0.743 nan 8.310 nan 0.000 0.507 310 D N -0.519 119.897 120.400 0.026 0.000 2.779 310 D HA 0.222 4.862 4.640 -0.000 0.000 0.331 310 D C -1.291 175.018 176.300 0.015 0.000 1.331 310 D CA -0.373 53.637 54.000 0.017 0.000 0.866 310 D CB 1.434 42.242 40.800 0.015 0.000 1.409 310 D HN 0.045 nan 8.370 nan 0.000 0.486 311 T N 2.202 116.758 114.554 0.003 0.000 2.946 311 T HA 0.109 4.459 4.350 -0.000 0.000 0.311 311 T C -1.431 173.264 174.700 -0.007 0.000 1.063 311 T CA -0.708 61.385 62.100 -0.011 0.000 1.139 311 T CB 0.784 69.641 68.868 -0.020 0.000 0.994 311 T HN 0.277 nan 8.240 nan 0.000 0.547 312 P HA -0.134 nan 4.420 nan 0.000 0.219 312 P C 1.287 178.574 177.300 -0.021 0.000 1.146 312 P CA 0.946 64.032 63.100 -0.024 0.000 0.808 312 P CB 0.378 32.036 31.700 -0.071 0.000 0.779 313 E N 1.078 121.257 120.200 -0.036 0.000 2.017 313 E HA -0.148 4.202 4.350 -0.000 0.000 0.193 313 E C 2.191 178.795 176.600 0.006 0.000 0.997 313 E CA 1.769 58.153 56.400 -0.027 0.000 0.804 313 E CB -1.243 28.436 29.700 -0.035 0.000 0.757 313 E HN 0.102 nan 8.360 nan 0.000 0.448 314 A N 0.213 123.038 122.820 0.009 0.000 2.019 314 A HA -0.112 4.207 4.320 -0.000 0.000 0.219 314 A C 2.251 179.863 177.584 0.047 0.000 1.164 314 A CA 1.284 53.334 52.037 0.023 0.000 0.644 314 A CB -0.567 18.441 19.000 0.014 0.000 0.805 314 A HN 0.329 nan 8.150 nan 0.000 0.449 315 L N -0.389 120.871 121.223 0.062 0.000 2.095 315 L HA -0.067 4.273 4.340 -0.000 0.000 0.204 315 L C 2.561 179.563 176.870 0.221 0.000 1.080 315 L CA 1.400 56.308 54.840 0.114 0.000 0.759 315 L CB -0.640 41.488 42.059 0.115 0.000 0.914 315 L HN 0.621 nan 8.230 nan 0.000 0.439 316 I N -2.190 118.487 120.570 0.178 0.000 2.493 316 I HA -0.212 3.958 4.170 -0.000 0.000 0.254 316 I C 2.249 178.511 176.117 0.242 0.000 1.160 316 I CA 1.635 63.063 61.300 0.214 0.000 1.445 316 I CB -0.694 37.307 38.000 0.003 0.000 1.086 316 I HN 0.369 nan 8.210 nan 0.000 0.433 317 N N 1.899 120.683 118.700 0.139 0.000 2.216 317 N HA -0.168 4.572 4.740 -0.000 0.000 0.183 317 N C 1.499 177.070 175.510 0.101 0.000 1.017 317 N CA 2.091 55.203 53.050 0.103 0.000 0.861 317 N CB 0.005 38.527 38.487 0.058 0.000 0.986 317 N HN 0.576 nan 8.380 nan 0.000 0.428 318 T N -3.209 111.397 114.554 0.086 0.000 3.091 318 T HA 0.382 4.732 4.350 -0.000 0.000 0.277 318 T C 0.770 175.442 174.700 -0.047 0.000 0.996 318 T CA -0.405 61.711 62.100 0.027 0.000 0.897 318 T CB 0.393 69.266 68.868 0.009 0.000 1.109 318 T HN 0.178 nan 8.240 nan 0.000 0.534 319 G N 0.470 109.231 108.800 -0.064 0.000 2.616 319 G HA2 0.422 4.382 3.960 -0.000 0.000 0.268 319 G HA3 0.422 4.382 3.960 -0.000 0.000 0.268 319 G C -1.091 173.316 174.900 -0.821 0.000 1.213 319 G CA -0.373 44.447 45.100 -0.467 0.000 0.926 319 G HN 0.286 nan 8.290 nan 0.000 0.523 320 D N -0.186 119.640 120.400 -0.957 0.000 2.440 320 D HA 0.332 4.972 4.640 -0.000 0.000 0.239 320 D C -0.755 175.086 176.300 -0.764 0.000 1.084 320 D CA -0.557 53.061 54.000 -0.637 0.000 0.843 320 D CB 0.942 41.560 40.800 -0.303 0.000 1.097 320 D HN 0.086 nan 8.370 nan 0.000 0.531 321 F N 2.394 122.359 119.950 0.026 0.000 2.855 321 F HA 0.198 4.725 4.527 -0.000 0.000 0.317 321 F C 1.938 177.760 175.800 0.036 0.000 1.169 321 F CA -0.486 57.534 58.000 0.034 0.000 1.299 321 F CB 0.309 39.339 39.000 0.050 0.000 0.962 321 F HN 0.310 nan 8.300 nan 0.000 0.506 322 Q N 1.657 121.506 119.800 0.082 0.000 2.112 322 Q HA -0.220 4.119 4.340 -0.000 0.000 0.206 322 Q C 2.025 178.071 176.000 0.076 0.000 0.987 322 Q CA 2.591 58.435 55.803 0.068 0.000 0.858 322 Q CB -0.053 28.696 28.738 0.018 0.000 0.905 322 Q HN 0.551 nan 8.270 nan 0.000 0.420 323 D N -0.796 119.642 120.400 0.063 0.000 2.249 323 D HA -0.113 4.527 4.640 -0.000 0.000 0.205 323 D C 0.439 176.785 176.300 0.077 0.000 0.962 323 D CA 0.038 54.069 54.000 0.051 0.000 0.860 323 D CB -0.260 40.552 40.800 0.020 0.000 0.955 323 D HN 0.289 nan 8.370 nan 0.000 0.505 324 L N 1.036 122.334 121.223 0.125 0.000 2.525 324 L HA -0.015 4.325 4.340 -0.000 0.000 0.278 324 L C 0.084 177.054 176.870 0.167 0.000 1.218 324 L CA 0.532 55.464 54.840 0.153 0.000 0.878 324 L CB 0.482 42.675 42.059 0.224 0.000 1.127 324 L HN 0.005 nan 8.230 nan 0.000 0.492 325 Q N 4.256 124.165 119.800 0.183 0.000 2.347 325 Q HA 0.426 4.766 4.340 -0.000 0.000 0.265 325 Q C -1.291 174.985 176.000 0.460 0.000 1.024 325 Q CA -0.533 55.425 55.803 0.257 0.000 0.731 325 Q CB 2.357 31.150 28.738 0.092 0.000 1.245 325 Q HN 0.359 nan 8.270 nan 0.000 0.472 326 V N 3.095 123.248 119.914 0.398 0.000 2.715 326 V HA 0.524 4.644 4.120 -0.000 0.000 0.310 326 V C -0.454 175.619 176.094 -0.034 0.000 1.054 326 V CA -0.895 61.560 62.300 0.258 0.000 0.928 326 V CB 2.239 34.130 31.823 0.115 0.000 1.007 326 V HN 0.658 nan 8.190 nan 0.000 0.437 327 L N 4.471 125.425 121.223 -0.448 0.000 2.333 327 L HA 0.824 5.164 4.340 -0.000 0.000 0.280 327 L C -1.205 175.566 176.870 -0.165 0.000 1.004 327 L CA -0.313 54.155 54.840 -0.620 0.000 0.820 327 L CB 1.724 42.891 42.059 -1.488 0.000 1.247 327 L HN 0.516 nan 8.230 nan 0.000 0.416 328 V N 3.433 123.349 119.914 0.003 0.000 3.040 328 V HA 0.969 5.089 4.120 -0.000 0.000 0.312 328 V C 0.197 176.167 176.094 -0.206 0.000 1.115 328 V CA -0.242 62.049 62.300 -0.015 0.000 0.998 328 V CB 1.752 33.516 31.823 -0.100 0.000 1.042 328 V HN 0.936 nan 8.190 nan 0.000 0.433 329 G N 0.448 108.939 108.800 -0.516 0.000 2.561 329 G HA2 0.726 4.686 3.960 -0.000 0.000 0.310 329 G HA3 0.726 4.686 3.960 -0.000 0.000 0.310 329 G C -1.945 172.563 174.900 -0.653 0.000 1.292 329 G CA -0.371 43.775 45.100 -1.589 0.000 0.811 329 G HN 0.831 nan 8.290 nan 0.000 0.482 330 V N -1.017 118.621 119.914 -0.461 0.000 3.236 330 V HA 0.598 4.718 4.120 -0.000 0.000 0.287 330 V C -0.333 175.931 176.094 0.283 0.000 1.491 330 V CA -0.305 62.010 62.300 0.024 0.000 1.037 330 V CB 1.888 33.677 31.823 -0.058 0.000 1.160 330 V HN 1.455 nan 8.190 nan 0.000 0.453 331 V N 0.338 120.439 119.914 0.312 0.000 2.966 331 V HA 0.598 4.718 4.120 -0.000 0.000 0.317 331 V C 1.157 177.421 176.094 0.284 0.000 1.070 331 V CA -0.284 62.250 62.300 0.390 0.000 1.008 331 V CB 1.423 33.479 31.823 0.388 0.000 1.070 331 V HN 0.834 nan 8.190 nan 0.000 0.457 332 K N 0.442 121.011 120.400 0.282 0.000 2.015 332 K HA -0.162 4.157 4.320 -0.000 0.000 0.216 332 K C 0.018 176.728 176.600 0.183 0.000 1.052 332 K CA 2.537 58.947 56.287 0.204 0.000 0.937 332 K CB -0.119 32.488 32.500 0.179 0.000 0.719 332 K HN 0.986 nan 8.250 nan 0.000 0.446 333 D N 0.539 121.054 120.400 0.191 0.000 2.456 333 D HA 0.074 4.713 4.640 -0.000 0.000 0.287 333 D C 0.215 176.632 176.300 0.195 0.000 1.186 333 D CA -0.234 53.871 54.000 0.176 0.000 0.916 333 D CB 1.405 42.302 40.800 0.161 0.000 1.029 333 D HN 0.048 nan 8.370 nan 0.000 0.498 334 E N 1.235 121.553 120.200 0.197 0.000 2.013 334 E HA -0.178 4.172 4.350 -0.000 0.000 0.202 334 E C 2.290 179.051 176.600 0.268 0.000 1.018 334 E CA 1.326 57.867 56.400 0.236 0.000 0.834 334 E CB -0.494 29.290 29.700 0.140 0.000 0.770 334 E HN 0.535 nan 8.360 nan 0.000 0.459 335 G N 1.374 110.268 108.800 0.157 0.000 2.564 335 G HA2 -0.265 3.694 3.960 -0.000 0.000 0.216 335 G HA3 -0.265 3.694 3.960 -0.000 0.000 0.216 335 G C 1.698 176.757 174.900 0.264 0.000 1.124 335 G CA 1.411 46.613 45.100 0.170 0.000 0.764 335 G HN 0.359 nan 8.290 nan 0.000 0.550 336 S N 0.112 115.946 115.700 0.224 0.000 2.343 336 S HA -0.263 4.206 4.470 -0.000 0.000 0.219 336 S C 2.087 176.711 174.600 0.041 0.000 1.033 336 S CA 1.365 59.652 58.200 0.145 0.000 1.014 336 S CB -0.854 62.365 63.200 0.032 0.000 0.915 336 S HN 0.446 nan 8.310 nan 0.000 0.435 337 Y N 2.523 122.709 120.300 -0.190 0.000 2.062 337 Y HA -0.266 4.284 4.550 -0.000 0.000 0.276 337 Y C 1.842 177.600 175.900 -0.236 0.000 1.189 337 Y CA 1.890 59.722 58.100 -0.447 0.000 1.130 337 Y CB -0.941 37.178 38.460 -0.569 0.000 0.959 337 Y HN 0.271 nan 8.280 nan 0.000 0.499 338 F N -0.415 119.515 119.950 -0.034 0.000 2.546 338 F HA -0.142 4.385 4.527 -0.000 0.000 0.298 338 F C 2.014 177.781 175.800 -0.056 0.000 1.120 338 F CA 0.737 58.679 58.000 -0.097 0.000 1.456 338 F CB -0.669 38.276 39.000 -0.093 0.000 1.088 338 F HN 0.098 nan 8.300 nan 0.000 0.572 339 L N -0.271 121.000 121.223 0.080 0.000 2.072 339 L HA -0.130 4.210 4.340 -0.000 0.000 0.205 339 L C 2.472 179.350 176.870 0.014 0.000 1.079 339 L CA 0.973 55.735 54.840 -0.131 0.000 0.752 339 L CB -0.832 40.958 42.059 -0.448 0.000 0.906 339 L HN 0.139 nan 8.230 nan 0.000 0.436 340 V N -4.196 115.815 119.914 0.162 0.000 2.913 340 V HA -0.240 3.880 4.120 -0.000 0.000 0.260 340 V C 1.418 177.482 176.094 -0.049 0.000 1.098 340 V CA 1.069 63.471 62.300 0.171 0.000 1.121 340 V CB -1.359 30.608 31.823 0.240 0.000 0.714 340 V HN 0.299 nan 8.190 nan 0.000 0.487 341 Y N 2.280 122.534 120.300 -0.078 0.000 2.581 341 Y HA 0.565 5.115 4.550 -0.000 0.000 0.346 341 Y C 1.658 177.484 175.900 -0.123 0.000 1.147 341 Y CA 0.381 58.397 58.100 -0.141 0.000 1.353 341 Y CB -0.000 38.328 38.460 -0.219 0.000 1.187 341 Y HN 0.439 nan 8.280 nan 0.000 0.505 342 G N -1.355 107.454 108.800 0.016 0.000 2.559 342 G HA2 -0.126 3.834 3.960 -0.000 0.000 0.202 342 G HA3 -0.126 3.834 3.960 -0.000 0.000 0.202 342 G C -0.763 174.149 174.900 0.020 0.000 0.992 342 G CA -0.461 44.638 45.100 -0.002 0.000 0.764 342 G HN 0.023 nan 8.290 nan 0.000 0.525 343 V N 2.138 122.086 119.914 0.058 0.000 2.347 343 V HA 0.465 4.585 4.120 -0.000 0.000 0.280 343 V C -1.977 174.285 176.094 0.280 0.000 1.021 343 V CA -1.843 60.524 62.300 0.112 0.000 0.847 343 V CB 1.612 33.427 31.823 -0.013 0.000 0.990 343 V HN 0.062 nan 8.190 nan 0.000 0.444 344 P HA 0.200 nan 4.420 nan 0.000 0.262 344 P C 1.017 178.405 177.300 0.146 0.000 1.182 344 P CA 1.478 64.660 63.100 0.136 0.000 0.761 344 P CB 0.556 32.301 31.700 0.075 0.000 0.795 345 G N 1.526 110.348 108.800 0.035 0.000 2.213 345 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.236 345 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.236 345 G C -0.162 174.544 174.900 -0.324 0.000 0.991 345 G CA -0.588 44.406 45.100 -0.178 0.000 0.629 345 G HN 0.401 nan 8.290 nan 0.000 0.517 346 F N 1.557 121.516 119.950 0.014 0.000 2.436 346 F HA 0.786 5.313 4.527 -0.000 0.000 0.340 346 F C 0.563 176.470 175.800 0.178 0.000 1.113 346 F CA -0.199 57.849 58.000 0.080 0.000 1.022 346 F CB 2.280 41.378 39.000 0.162 0.000 1.128 346 F HN 0.192 nan 8.300 nan 0.000 0.466 347 S N 1.735 117.707 115.700 0.452 0.000 2.550 347 S HA 0.310 4.780 4.470 -0.000 0.000 0.270 347 S C 0.141 175.055 174.600 0.523 0.000 1.145 347 S CA -0.893 57.549 58.200 0.404 0.000 0.852 347 S CB 1.422 64.757 63.200 0.226 0.000 1.119 347 S HN 0.764 nan 8.310 nan 0.000 0.465 348 K N 1.421 122.003 120.400 0.304 0.000 2.459 348 K HA 0.160 4.480 4.320 -0.000 0.000 0.193 348 K C 0.265 176.881 176.600 0.026 0.000 1.030 348 K CA 0.835 57.189 56.287 0.112 0.000 1.026 348 K CB -0.040 32.279 32.500 -0.301 0.000 0.809 348 K HN 0.455 nan 8.250 nan 0.000 0.504 349 D N 1.184 121.604 120.400 0.033 0.000 2.216 349 D HA -0.051 4.589 4.640 -0.000 0.000 0.208 349 D C 0.294 176.637 176.300 0.072 0.000 0.960 349 D CA 0.743 54.742 54.000 -0.002 0.000 0.861 349 D CB 0.001 40.779 40.800 -0.035 0.000 0.985 349 D HN 0.465 nan 8.370 nan 0.000 0.493 350 N N -0.143 118.628 118.700 0.119 0.000 2.725 350 N HA 0.109 4.849 4.740 -0.000 0.000 0.312 350 N C 0.367 175.946 175.510 0.115 0.000 1.295 350 N CA -0.501 52.593 53.050 0.075 0.000 0.914 350 N CB 0.435 38.925 38.487 0.005 0.000 1.177 350 N HN -0.260 nan 8.380 nan 0.000 0.601 351 E N -0.837 119.350 120.200 -0.022 0.000 2.489 351 E HA 0.070 4.419 4.350 -0.000 0.000 0.193 351 E C -0.557 175.701 176.600 -0.570 0.000 1.057 351 E CA -0.051 56.259 56.400 -0.149 0.000 0.866 351 E CB -0.249 29.402 29.700 -0.082 0.000 0.916 351 E HN 0.544 nan 8.360 nan 0.000 0.500 352 S N 1.099 116.506 115.700 -0.490 0.000 3.559 352 S HA -0.163 4.307 4.470 -0.000 0.000 0.369 352 S C -0.044 174.137 174.600 -0.699 0.000 0.987 352 S CA 0.120 57.896 58.200 -0.706 0.000 1.187 352 S CB -0.781 61.750 63.200 -1.115 0.000 0.914 352 S HN 0.203 nan 8.310 nan 0.000 0.480 353 L N 2.113 123.078 121.223 -0.431 0.000 2.385 353 L HA 0.399 4.739 4.340 -0.000 0.000 0.285 353 L C 0.712 177.399 176.870 -0.304 0.000 1.125 353 L CA 0.099 54.746 54.840 -0.321 0.000 0.890 353 L CB -0.783 41.155 42.059 -0.202 0.000 1.251 353 L HN 0.525 nan 8.230 nan 0.000 0.445 354 I N -0.018 120.338 120.570 -0.357 0.000 2.764 354 I HA 0.530 4.700 4.170 -0.000 0.000 0.294 354 I C 0.988 177.024 176.117 -0.136 0.000 1.045 354 I CA -0.366 60.765 61.300 -0.282 0.000 1.340 354 I CB 1.265 39.043 38.000 -0.370 0.000 1.436 354 I HN 0.560 nan 8.210 nan 0.000 0.567 355 S N 4.084 119.731 115.700 -0.087 0.000 2.641 355 S HA 0.276 4.746 4.470 -0.000 0.000 0.261 355 S C 1.060 175.668 174.600 0.012 0.000 1.257 355 S CA -0.281 57.896 58.200 -0.038 0.000 0.983 355 S CB 1.178 64.364 63.200 -0.024 0.000 0.990 355 S HN 0.898 nan 8.310 nan 0.000 0.572 356 R N 0.048 120.559 120.500 0.018 0.000 2.075 356 R HA 0.056 4.396 4.340 -0.000 0.000 0.226 356 R C 2.481 178.865 176.300 0.141 0.000 1.114 356 R CA 1.155 57.291 56.100 0.059 0.000 0.972 356 R CB -1.069 29.236 30.300 0.009 0.000 0.869 356 R HN 0.827 nan 8.270 nan 0.000 0.437 357 A N 0.902 123.774 122.820 0.087 0.000 1.940 357 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 357 A C 2.018 179.658 177.584 0.094 0.000 1.176 357 A CA 1.398 53.486 52.037 0.086 0.000 0.631 357 A CB -0.446 18.584 19.000 0.051 0.000 0.814 357 A HN 0.477 nan 8.150 nan 0.000 0.446 358 Q N -1.809 118.045 119.800 0.089 0.000 2.020 358 Q HA -0.183 4.157 4.340 -0.000 0.000 0.202 358 Q C 1.956 178.044 176.000 0.147 0.000 0.982 358 Q CA 1.737 57.593 55.803 0.088 0.000 0.838 358 Q CB -0.333 28.428 28.738 0.039 0.000 0.899 358 Q HN 0.783 nan 8.270 nan 0.000 0.423 359 F N 1.081 121.059 119.950 0.046 0.000 2.126 359 F HA -0.260 4.267 4.527 -0.000 0.000 0.299 359 F C 1.734 177.570 175.800 0.060 0.000 1.096 359 F CA 0.988 59.032 58.000 0.073 0.000 1.255 359 F CB -0.084 38.943 39.000 0.046 0.000 0.997 359 F HN 0.021 nan 8.300 nan 0.000 0.479 360 L N 0.554 121.868 121.223 0.150 0.000 2.042 360 L HA -0.195 4.145 4.340 -0.000 0.000 0.210 360 L C 2.800 179.632 176.870 -0.063 0.000 1.076 360 L CA 1.943 56.805 54.840 0.036 0.000 0.749 360 L CB -2.373 39.761 42.059 0.125 0.000 0.893 360 L HN 0.354 nan 8.230 nan 0.000 0.432 361 A N -0.180 122.628 122.820 -0.019 0.000 1.873 361 A HA -0.061 4.259 4.320 -0.000 0.000 0.215 361 A C 2.473 180.019 177.584 -0.064 0.000 1.186 361 A CA 1.532 53.556 52.037 -0.022 0.000 0.616 361 A CB -1.213 17.794 19.000 0.012 0.000 0.823 361 A HN 0.413 nan 8.150 nan 0.000 0.442 362 G N -0.293 108.461 108.800 -0.077 0.000 2.505 362 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 362 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 362 G C 1.512 176.294 174.900 -0.198 0.000 1.145 362 G CA 1.422 46.459 45.100 -0.105 0.000 0.761 362 G HN 0.345 nan 8.290 nan 0.000 0.571 363 V N 0.926 120.646 119.914 -0.323 0.000 2.392 363 V HA -0.164 3.956 4.120 -0.000 0.000 0.249 363 V C 2.970 178.984 176.094 -0.134 0.000 1.059 363 V CA 1.884 64.014 62.300 -0.283 0.000 1.051 363 V CB -0.386 31.231 31.823 -0.344 0.000 0.658 363 V HN 0.264 nan 8.190 nan 0.000 0.455 364 R N -0.426 120.015 120.500 -0.097 0.000 2.148 364 R HA 0.090 4.430 4.340 -0.000 0.000 0.223 364 R C 2.028 178.298 176.300 -0.050 0.000 1.088 364 R CA 1.141 57.209 56.100 -0.053 0.000 0.985 364 R CB -0.695 29.585 30.300 -0.033 0.000 0.880 364 R HN 0.470 nan 8.270 nan 0.000 0.451 365 I N -0.226 120.307 120.570 -0.062 0.000 2.235 365 I HA -0.087 4.083 4.170 -0.000 0.000 0.241 365 I C 2.336 178.412 176.117 -0.068 0.000 1.085 365 I CA 1.454 62.719 61.300 -0.058 0.000 1.378 365 I CB -0.659 37.308 38.000 -0.054 0.000 1.076 365 I HN 0.189 nan 8.210 nan 0.000 0.415 366 G N 0.334 109.081 108.800 -0.088 0.000 2.470 366 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.220 366 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.220 366 G C 0.821 175.696 174.900 -0.041 0.000 1.121 366 G CA 0.553 45.599 45.100 -0.091 0.000 0.766 366 G HN 0.278 nan 8.290 nan 0.000 0.553 367 V N 1.779 121.672 119.914 -0.035 0.000 2.468 367 V HA 0.196 4.316 4.120 -0.000 0.000 0.256 367 V C -1.319 174.771 176.094 -0.008 0.000 0.998 367 V CA -0.978 61.316 62.300 -0.009 0.000 1.114 367 V CB 1.577 33.380 31.823 -0.033 0.000 1.378 367 V HN 0.068 nan 8.190 nan 0.000 0.573 368 P HA -0.218 nan 4.420 nan 0.000 0.218 368 P C 1.362 178.658 177.300 -0.006 0.000 1.148 368 P CA 1.314 64.406 63.100 -0.013 0.000 0.822 368 P CB 0.374 32.060 31.700 -0.023 0.000 0.784 369 Q N 0.113 119.918 119.800 0.007 0.000 2.472 369 Q HA 0.084 4.424 4.340 -0.000 0.000 0.208 369 Q C 0.729 176.726 176.000 -0.005 0.000 0.958 369 Q CA 0.335 56.140 55.803 0.003 0.000 0.932 369 Q CB -0.826 27.920 28.738 0.015 0.000 1.007 369 Q HN 0.077 nan 8.270 nan 0.000 0.508 370 A N 2.319 125.135 122.820 -0.006 0.000 2.454 370 A HA 0.369 4.689 4.320 -0.000 0.000 0.260 370 A C 0.543 178.120 177.584 -0.011 0.000 1.106 370 A CA 0.066 52.094 52.037 -0.014 0.000 0.780 370 A CB 0.204 19.197 19.000 -0.011 0.000 1.044 370 A HN 0.520 nan 8.150 nan 0.000 0.498 371 S N 2.232 117.922 115.700 -0.016 0.000 2.626 371 S HA 0.100 4.570 4.470 -0.000 0.000 0.257 371 S C 0.561 175.162 174.600 0.003 0.000 1.288 371 S CA 0.105 58.300 58.200 -0.008 0.000 0.980 371 S CB 0.373 63.565 63.200 -0.014 0.000 0.975 371 S HN 0.653 nan 8.310 nan 0.000 0.577 372 D N 0.031 120.437 120.400 0.010 0.000 2.084 372 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 372 D C 1.904 178.225 176.300 0.034 0.000 0.990 372 D CA 1.027 55.040 54.000 0.023 0.000 0.826 372 D CB -0.456 40.358 40.800 0.024 0.000 0.971 372 D HN 0.374 nan 8.370 nan 0.000 0.453 373 L N 1.331 122.572 121.223 0.030 0.000 2.013 373 L HA -0.172 4.168 4.340 -0.000 0.000 0.212 373 L C 2.268 179.169 176.870 0.052 0.000 1.073 373 L CA 1.930 56.797 54.840 0.044 0.000 0.753 373 L CB -0.950 41.128 42.059 0.032 0.000 0.890 373 L HN -0.026 nan 8.230 nan 0.000 0.432 374 A N -1.039 121.792 122.820 0.017 0.000 1.972 374 A HA -0.077 4.242 4.320 -0.000 0.000 0.219 374 A C 2.432 180.048 177.584 0.054 0.000 1.169 374 A CA 1.709 53.749 52.037 0.007 0.000 0.635 374 A CB -1.018 17.950 19.000 -0.054 0.000 0.810 374 A HN 0.563 nan 8.150 nan 0.000 0.446 375 A N -0.248 122.601 122.820 0.047 0.000 1.858 375 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 375 A C 1.910 179.558 177.584 0.107 0.000 1.190 375 A CA 2.092 54.164 52.037 0.059 0.000 0.617 375 A CB -0.615 18.409 19.000 0.039 0.000 0.827 375 A HN 0.486 nan 8.150 nan 0.000 0.443 376 E N -0.154 120.113 120.200 0.111 0.000 2.065 376 E HA -0.191 4.159 4.350 -0.000 0.000 0.201 376 E C 2.206 178.913 176.600 0.180 0.000 1.016 376 E CA 1.835 58.322 56.400 0.146 0.000 0.818 376 E CB -0.500 29.273 29.700 0.121 0.000 0.749 376 E HN 0.547 nan 8.360 nan 0.000 0.453 377 A N -0.164 122.766 122.820 0.182 0.000 1.948 377 A HA -0.210 4.110 4.320 -0.000 0.000 0.220 377 A C 2.466 180.146 177.584 0.160 0.000 1.177 377 A CA 1.865 54.033 52.037 0.219 0.000 0.636 377 A CB -0.721 18.500 19.000 0.367 0.000 0.815 377 A HN 0.195 nan 8.150 nan 0.000 0.449 378 V N -0.476 119.581 119.914 0.238 0.000 2.453 378 V HA -0.186 3.934 4.120 -0.000 0.000 0.247 378 V C 2.531 178.835 176.094 0.350 0.000 1.048 378 V CA 1.764 64.224 62.300 0.266 0.000 1.049 378 V CB -0.705 31.248 31.823 0.216 0.000 0.672 378 V HN 0.386 nan 8.190 nan 0.000 0.457 379 V N -0.043 120.048 119.914 0.295 0.000 2.307 379 V HA -0.251 3.869 4.120 -0.000 0.000 0.245 379 V C 2.316 178.625 176.094 0.360 0.000 1.045 379 V CA 2.022 64.550 62.300 0.380 0.000 1.024 379 V CB -0.598 31.422 31.823 0.329 0.000 0.651 379 V HN 0.503 nan 8.190 nan 0.000 0.449 380 L N -0.247 121.189 121.223 0.355 0.000 1.990 380 L HA -0.311 4.029 4.340 -0.000 0.000 0.213 380 L C 2.625 179.671 176.870 0.294 0.000 1.072 380 L CA 2.604 57.717 54.840 0.454 0.000 0.755 380 L CB -0.518 41.682 42.059 0.235 0.000 0.889 380 L HN 0.477 nan 8.230 nan 0.000 0.432 381 H N -1.633 117.410 119.070 -0.045 0.000 2.387 381 H HA -0.218 4.338 4.556 -0.000 0.000 0.299 381 H C 1.659 176.850 175.328 -0.227 0.000 1.090 381 H CA 2.354 58.227 56.048 -0.292 0.000 1.332 381 H CB -0.020 29.236 29.762 -0.844 0.000 1.386 381 H HN 0.445 nan 8.280 nan 0.000 0.516 382 Y N -0.259 120.168 120.300 0.210 0.000 2.500 382 Y HA 0.125 4.675 4.550 -0.000 0.000 0.270 382 Y C 0.724 176.657 175.900 0.055 0.000 1.134 382 Y CA 0.271 58.513 58.100 0.238 0.000 1.293 382 Y CB 0.320 39.025 38.460 0.408 0.000 1.063 382 Y HN 0.029 nan 8.280 nan 0.000 0.534 383 T N 0.917 115.426 114.554 -0.075 0.000 2.884 383 T HA 0.058 4.408 4.350 -0.000 0.000 0.298 383 T C -0.489 173.800 174.700 -0.685 0.000 0.998 383 T CA -0.455 61.303 62.100 -0.570 0.000 1.124 383 T CB 0.705 68.817 68.868 -1.260 0.000 0.931 383 T HN 0.061 nan 8.240 nan 0.000 0.531 384 D N 1.727 121.754 120.400 -0.622 0.000 2.428 384 D HA 0.198 4.837 4.640 -0.000 0.000 0.221 384 D C 0.096 176.126 176.300 -0.450 0.000 1.123 384 D CA -0.805 52.882 54.000 -0.521 0.000 0.869 384 D CB 0.254 40.633 40.800 -0.702 0.000 1.032 384 D HN 0.588 nan 8.370 nan 0.000 0.506 385 W N 3.151 124.357 121.300 -0.157 0.000 2.632 385 W HA -0.005 4.655 4.660 -0.000 0.000 0.248 385 W C 1.790 178.203 176.519 -0.176 0.000 1.259 385 W CA -0.274 56.989 57.345 -0.137 0.000 1.288 385 W CB 0.003 29.395 29.460 -0.113 0.000 1.136 385 W HN 0.446 nan 8.180 nan 0.000 0.640 386 L N -0.385 120.779 121.223 -0.099 0.000 2.270 386 L HA 0.005 4.345 4.340 -0.000 0.000 0.210 386 L C -0.090 176.456 176.870 -0.541 0.000 1.104 386 L CA 1.503 56.150 54.840 -0.321 0.000 0.804 386 L CB -0.195 41.611 42.059 -0.422 0.000 0.937 386 L HN 0.082 nan 8.230 nan 0.000 0.450 387 H N -0.499 118.501 119.070 -0.117 0.000 2.597 387 H HA 0.194 4.750 4.556 -0.000 0.000 0.225 387 H C -1.864 173.343 175.328 -0.203 0.000 1.422 387 H CA -1.009 54.957 56.048 -0.136 0.000 1.335 387 H CB 0.378 30.054 29.762 -0.143 0.000 1.783 387 H HN 0.057 nan 8.280 nan 0.000 0.513 388 P HA -0.117 nan 4.420 nan 0.000 0.239 388 P C 0.420 177.612 177.300 -0.179 0.000 1.184 388 P CA 1.002 63.949 63.100 -0.255 0.000 0.760 388 P CB 0.640 32.204 31.700 -0.227 0.000 0.884 389 E N -0.695 119.451 120.200 -0.090 0.000 2.485 389 E HA 0.031 4.381 4.350 -0.000 0.000 0.213 389 E C 0.153 176.713 176.600 -0.068 0.000 0.923 389 E CA -0.049 56.309 56.400 -0.071 0.000 1.054 389 E CB -0.180 29.502 29.700 -0.031 0.000 1.077 389 E HN 0.200 nan 8.360 nan 0.000 0.509 390 D N 3.777 124.143 120.400 -0.057 0.000 2.426 390 D HA -0.043 4.596 4.640 -0.000 0.000 0.261 390 D C -1.163 175.098 176.300 -0.065 0.000 1.245 390 D CA -1.250 52.711 54.000 -0.066 0.000 0.917 390 D CB 1.116 41.862 40.800 -0.090 0.000 1.123 390 D HN -0.099 nan 8.370 nan 0.000 0.508 391 P HA -0.197 nan 4.420 nan 0.000 0.216 391 P C 1.246 178.489 177.300 -0.095 0.000 1.153 391 P CA 1.275 64.316 63.100 -0.098 0.000 0.858 391 P CB 0.058 31.692 31.700 -0.110 0.000 0.789 392 T N -1.307 113.204 114.554 -0.071 0.000 2.759 392 T HA -0.197 4.153 4.350 -0.000 0.000 0.269 392 T C 1.840 176.531 174.700 -0.014 0.000 1.042 392 T CA 1.845 63.916 62.100 -0.048 0.000 1.140 392 T CB -0.934 67.918 68.868 -0.026 0.000 0.864 392 T HN 0.302 nan 8.240 nan 0.000 0.455 393 H N 0.667 119.692 119.070 -0.077 0.000 2.307 393 H HA 0.156 4.712 4.556 -0.000 0.000 0.303 393 H C 2.109 177.396 175.328 -0.069 0.000 1.073 393 H CA 1.165 57.176 56.048 -0.062 0.000 1.338 393 H CB -0.453 29.248 29.762 -0.101 0.000 1.389 393 H HN 0.190 nan 8.280 nan 0.000 0.503 394 L N 0.199 121.371 121.223 -0.085 0.000 2.021 394 L HA -0.281 4.059 4.340 -0.000 0.000 0.215 394 L C 2.847 179.775 176.870 0.096 0.000 1.074 394 L CA 1.793 56.536 54.840 -0.162 0.000 0.760 394 L CB -0.540 41.430 42.059 -0.149 0.000 0.889 394 L HN 0.345 nan 8.230 nan 0.000 0.433 395 R N 0.573 121.087 120.500 0.024 0.000 2.070 395 R HA -0.181 4.159 4.340 -0.000 0.000 0.232 395 R C 1.770 178.180 176.300 0.184 0.000 1.138 395 R CA 2.271 58.420 56.100 0.083 0.000 0.936 395 R CB -0.473 29.733 30.300 -0.156 0.000 0.839 395 R HN 0.353 nan 8.270 nan 0.000 0.429 396 D N 0.425 120.864 120.400 0.066 0.000 2.263 396 D HA -0.098 4.542 4.640 -0.000 0.000 0.208 396 D C 1.637 177.976 176.300 0.066 0.000 0.971 396 D CA 1.231 55.279 54.000 0.081 0.000 0.867 396 D CB -0.144 40.664 40.800 0.014 0.000 0.929 396 D HN 0.401 nan 8.370 nan 0.000 0.492 397 A N 0.472 123.297 122.820 0.007 0.000 1.929 397 A HA -0.101 4.219 4.320 -0.000 0.000 0.216 397 A C 2.126 179.882 177.584 0.287 0.000 1.176 397 A CA 1.108 53.243 52.037 0.162 0.000 0.628 397 A CB -0.368 18.710 19.000 0.130 0.000 0.816 397 A HN 0.110 nan 8.150 nan 0.000 0.444 398 M N 0.086 119.895 119.600 0.350 0.000 2.067 398 M HA -0.111 4.369 4.480 -0.000 0.000 0.260 398 M C 2.353 178.675 176.300 0.037 0.000 1.069 398 M CA 2.190 57.595 55.300 0.176 0.000 1.117 398 M CB -0.579 32.183 32.600 0.269 0.000 1.334 398 M HN 0.418 nan 8.290 nan 0.000 0.407 399 S N -0.307 115.459 115.700 0.111 0.000 2.402 399 S HA -0.144 4.326 4.470 -0.000 0.000 0.233 399 S C 1.968 176.616 174.600 0.081 0.000 1.030 399 S CA 1.609 59.874 58.200 0.110 0.000 1.003 399 S CB -0.544 62.791 63.200 0.224 0.000 0.813 399 S HN 0.599 nan 8.310 nan 0.000 0.477 400 A N 0.714 123.601 122.820 0.112 0.000 1.897 400 A HA 0.093 4.413 4.320 -0.000 0.000 0.215 400 A C 2.346 179.940 177.584 0.017 0.000 1.181 400 A CA 1.486 53.623 52.037 0.167 0.000 0.620 400 A CB -0.961 18.262 19.000 0.371 0.000 0.821 400 A HN 0.467 nan 8.150 nan 0.000 0.443 401 V N -0.122 119.623 119.914 -0.281 0.000 2.255 401 V HA -0.266 3.854 4.120 -0.000 0.000 0.247 401 V C 2.558 178.508 176.094 -0.239 0.000 1.051 401 V CA 2.154 64.196 62.300 -0.431 0.000 1.018 401 V CB -1.143 30.427 31.823 -0.421 0.000 0.641 401 V HN 0.356 nan 8.190 nan 0.000 0.445 402 V N 1.087 120.878 119.914 -0.204 0.000 2.233 402 V HA -0.209 3.911 4.120 -0.000 0.000 0.247 402 V C 2.705 178.608 176.094 -0.318 0.000 1.050 402 V CA 2.430 64.583 62.300 -0.245 0.000 1.010 402 V CB -1.595 30.128 31.823 -0.166 0.000 0.637 402 V HN 0.610 nan 8.190 nan 0.000 0.444 403 G N -0.456 108.240 108.800 -0.172 0.000 2.432 403 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.219 403 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.219 403 G C 1.200 175.988 174.900 -0.186 0.000 1.135 403 G CA 1.112 46.127 45.100 -0.141 0.000 0.767 403 G HN 0.541 nan 8.290 nan 0.000 0.550 404 D N -0.462 119.842 120.400 -0.160 0.000 2.120 404 D HA -0.034 4.606 4.640 -0.000 0.000 0.202 404 D C 2.111 178.069 176.300 -0.570 0.000 0.972 404 D CA 0.993 54.878 54.000 -0.192 0.000 0.837 404 D CB -0.541 40.340 40.800 0.135 0.000 0.989 404 D HN 0.302 nan 8.370 nan 0.000 0.469 405 H N 1.523 119.961 119.070 -1.054 0.000 2.289 405 H HA -0.052 4.504 4.556 -0.000 0.000 0.296 405 H C 1.558 176.398 175.328 -0.812 0.000 1.091 405 H CA 1.816 57.032 56.048 -1.387 0.000 1.274 405 H CB -0.104 28.870 29.762 -1.312 0.000 1.364 405 H HN 0.011 nan 8.280 nan 0.000 0.490 406 N N -0.686 117.501 118.700 -0.854 0.000 2.290 406 N HA -0.042 4.698 4.740 -0.000 0.000 0.179 406 N C 1.816 177.037 175.510 -0.481 0.000 1.016 406 N CA 1.286 53.775 53.050 -0.936 0.000 0.871 406 N CB 0.423 37.720 38.487 -1.983 0.000 0.987 406 N HN 0.257 nan 8.380 nan 0.000 0.431 407 V N 0.214 119.894 119.914 -0.390 0.000 3.050 407 V HA 0.028 4.148 4.120 -0.000 0.000 0.223 407 V C 2.382 178.406 176.094 -0.116 0.000 1.162 407 V CA 0.304 62.524 62.300 -0.133 0.000 1.247 407 V CB -0.629 31.174 31.823 -0.034 0.000 1.125 407 V HN -0.140 nan 8.190 nan 0.000 0.508 408 V N 0.309 120.157 119.914 -0.110 0.000 2.231 408 V HA -0.373 3.747 4.120 -0.000 0.000 0.250 408 V C 2.567 178.604 176.094 -0.096 0.000 1.058 408 V CA 2.715 64.962 62.300 -0.088 0.000 1.022 408 V CB -1.104 30.693 31.823 -0.044 0.000 0.640 408 V HN 0.690 nan 8.190 nan 0.000 0.445 409 c N -0.290 118.246 118.600 -0.108 0.000 2.429 409 c HA -0.044 4.526 4.570 -0.000 0.000 0.277 409 c C 0.673 174.712 174.090 -0.084 0.000 1.262 409 c CA 1.282 57.578 56.329 -0.056 0.000 1.733 409 c CB -1.962 40.537 42.510 -0.019 0.000 2.010 409 c HN 0.467 nan 8.230 nan 0.000 0.483 410 P HA -0.068 nan 4.420 nan 0.000 0.216 410 P C 1.808 179.030 177.300 -0.131 0.000 1.153 410 P CA 1.321 64.332 63.100 -0.148 0.000 0.848 410 P CB -0.136 31.444 31.700 -0.201 0.000 0.787 411 V N 0.250 120.088 119.914 -0.126 0.000 2.287 411 V HA -0.288 3.832 4.120 -0.000 0.000 0.248 411 V C 2.437 178.423 176.094 -0.179 0.000 1.053 411 V CA 2.432 64.648 62.300 -0.141 0.000 1.027 411 V CB -1.717 30.022 31.823 -0.139 0.000 0.646 411 V HN 0.104 nan 8.190 nan 0.000 0.447 412 A N -0.506 122.218 122.820 -0.158 0.000 1.902 412 A HA -0.289 4.031 4.320 -0.000 0.000 0.217 412 A C 2.169 179.691 177.584 -0.103 0.000 1.181 412 A CA 2.087 54.028 52.037 -0.161 0.000 0.623 412 A CB -0.573 18.390 19.000 -0.060 0.000 0.818 412 A HN 0.554 nan 8.150 nan 0.000 0.443 413 Q N -0.437 119.324 119.800 -0.064 0.000 2.135 413 Q HA -0.147 4.193 4.340 -0.000 0.000 0.204 413 Q C 1.786 177.750 176.000 -0.060 0.000 0.981 413 Q CA 1.939 57.722 55.803 -0.035 0.000 0.856 413 Q CB -0.511 28.205 28.738 -0.037 0.000 0.902 413 Q HN 0.547 nan 8.270 nan 0.000 0.425 414 L N -0.077 121.081 121.223 -0.108 0.000 2.007 414 L HA 0.100 4.440 4.340 -0.000 0.000 0.205 414 L C 2.170 178.956 176.870 -0.140 0.000 1.073 414 L CA 2.103 56.866 54.840 -0.128 0.000 0.744 414 L CB -1.216 40.753 42.059 -0.151 0.000 0.898 414 L HN 0.212 nan 8.230 nan 0.000 0.435 415 A N -0.288 122.404 122.820 -0.213 0.000 1.903 415 A HA -0.208 4.112 4.320 -0.000 0.000 0.219 415 A C 2.293 179.792 177.584 -0.142 0.000 1.191 415 A CA 2.104 53.960 52.037 -0.302 0.000 0.638 415 A CB -1.774 16.813 19.000 -0.688 0.000 0.823 415 A HN 0.591 nan 8.150 nan 0.000 0.451 416 G N -1.245 107.527 108.800 -0.047 0.000 2.453 416 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.215 416 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.215 416 G C 1.676 176.654 174.900 0.128 0.000 1.201 416 G CA 0.762 45.981 45.100 0.198 0.000 0.784 416 G HN 0.358 nan 8.290 nan 0.000 0.545 417 R N -0.365 120.175 120.500 0.066 0.000 2.159 417 R HA 0.035 4.374 4.340 -0.000 0.000 0.237 417 R C 2.473 178.831 176.300 0.098 0.000 1.131 417 R CA 0.554 56.700 56.100 0.077 0.000 0.982 417 R CB -0.796 29.534 30.300 0.050 0.000 0.868 417 R HN 0.351 nan 8.270 nan 0.000 0.453 418 L N -0.055 121.187 121.223 0.031 0.000 2.007 418 L HA 0.014 4.354 4.340 -0.000 0.000 0.205 418 L C 2.335 179.283 176.870 0.130 0.000 1.073 418 L CA 1.992 56.841 54.840 0.015 0.000 0.744 418 L CB -1.231 40.768 42.059 -0.100 0.000 0.898 418 L HN 0.114 nan 8.230 nan 0.000 0.435 419 A N -0.586 122.313 122.820 0.131 0.000 1.892 419 A HA -0.250 4.070 4.320 -0.000 0.000 0.218 419 A C 2.391 180.060 177.584 0.142 0.000 1.188 419 A CA 2.251 54.384 52.037 0.159 0.000 0.631 419 A CB -1.178 17.960 19.000 0.230 0.000 0.822 419 A HN 0.478 nan 8.150 nan 0.000 0.447 420 A N -1.824 121.080 122.820 0.140 0.000 2.070 420 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 420 A C 2.017 179.673 177.584 0.120 0.000 1.159 420 A CA 1.931 54.038 52.037 0.116 0.000 0.656 420 A CB -0.331 18.734 19.000 0.108 0.000 0.800 420 A HN 0.516 nan 8.150 nan 0.000 0.453 421 Q N -2.081 117.821 119.800 0.171 0.000 2.425 421 Q HA 0.299 4.639 4.340 -0.000 0.000 0.204 421 Q C 1.174 177.266 176.000 0.155 0.000 0.933 421 Q CA 1.033 56.948 55.803 0.187 0.000 0.939 421 Q CB 0.375 29.337 28.738 0.373 0.000 1.044 421 Q HN 0.819 nan 8.270 nan 0.000 0.513 422 G N -1.745 107.147 108.800 0.153 0.000 2.421 422 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.188 422 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.188 422 G C 0.255 175.243 174.900 0.146 0.000 1.001 422 G CA -0.258 44.915 45.100 0.122 0.000 0.693 422 G HN 0.509 nan 8.290 nan 0.000 0.479 423 A N 0.277 123.215 122.820 0.196 0.000 2.448 423 A HA 0.638 4.958 4.320 -0.000 0.000 0.239 423 A C 0.714 178.387 177.584 0.148 0.000 1.080 423 A CA 0.875 53.022 52.037 0.183 0.000 0.779 423 A CB 0.218 19.321 19.000 0.171 0.000 1.026 423 A HN 0.761 nan 8.150 nan 0.000 0.499 424 R N 1.709 122.308 120.500 0.166 0.000 2.346 424 R HA 0.481 4.821 4.340 -0.000 0.000 0.309 424 R C -1.368 175.066 176.300 0.223 0.000 1.119 424 R CA -0.290 55.911 56.100 0.168 0.000 1.112 424 R CB 0.193 30.620 30.300 0.212 0.000 1.132 424 R HN 0.508 nan 8.270 nan 0.000 0.538 425 V N 4.335 124.335 119.914 0.142 0.000 2.743 425 V HA 0.403 4.523 4.120 -0.000 0.000 0.301 425 V C -0.706 175.443 176.094 0.091 0.000 1.057 425 V CA -0.484 61.913 62.300 0.163 0.000 1.006 425 V CB 1.268 33.165 31.823 0.123 0.000 1.024 425 V HN 0.528 nan 8.190 nan 0.000 0.473 426 Y N 1.046 121.393 120.300 0.077 0.000 2.457 426 Y HA 0.745 5.295 4.550 -0.000 0.000 0.343 426 Y C 0.210 176.332 175.900 0.371 0.000 0.994 426 Y CA -0.445 57.761 58.100 0.176 0.000 1.031 426 Y CB 2.130 40.360 38.460 -0.383 0.000 1.246 426 Y HN 0.809 nan 8.280 nan 0.000 0.449 427 A N 2.727 126.029 122.820 0.804 0.000 2.386 427 A HA 0.945 5.265 4.320 -0.000 0.000 0.308 427 A C -1.886 175.979 177.584 0.468 0.000 1.128 427 A CA -0.683 51.642 52.037 0.482 0.000 0.789 427 A CB 1.625 20.758 19.000 0.222 0.000 1.325 427 A HN 0.806 nan 8.150 nan 0.000 0.437 428 Y N -1.396 119.039 120.300 0.226 0.000 2.656 428 Y HA 0.768 5.318 4.550 -0.000 0.000 0.334 428 Y C -1.680 174.301 175.900 0.134 0.000 1.179 428 Y CA -1.857 56.282 58.100 0.065 0.000 1.050 428 Y CB 1.077 39.566 38.460 0.048 0.000 1.308 428 Y HN 0.407 nan 8.280 nan 0.000 0.456 429 I N 3.394 124.203 120.570 0.398 0.000 2.503 429 I HA 0.221 4.391 4.170 -0.000 0.000 0.282 429 I C -1.180 175.221 176.117 0.472 0.000 1.059 429 I CA -0.732 60.769 61.300 0.335 0.000 1.081 429 I CB 1.134 39.262 38.000 0.213 0.000 1.210 429 I HN 0.724 nan 8.210 nan 0.000 0.450 430 F N 6.240 126.477 119.950 0.478 0.000 2.472 430 F HA 0.210 4.737 4.527 -0.000 0.000 0.364 430 F C 1.143 177.099 175.800 0.260 0.000 1.090 430 F CA 0.634 58.852 58.000 0.362 0.000 1.188 430 F CB 0.745 39.964 39.000 0.365 0.000 1.105 430 F HN 0.526 nan 8.300 nan 0.000 0.536 431 E N 2.396 122.485 120.200 -0.185 0.000 2.514 431 E HA -0.041 4.309 4.350 -0.000 0.000 0.215 431 E C -0.535 175.988 176.600 -0.128 0.000 0.946 431 E CA -0.174 56.189 56.400 -0.061 0.000 1.038 431 E CB 0.207 29.897 29.700 -0.016 0.000 1.069 431 E HN 0.514 nan 8.360 nan 0.000 0.503 432 H N 2.079 120.833 119.070 -0.528 0.000 2.767 432 H HA 0.157 4.713 4.556 -0.000 0.000 0.316 432 H C -0.312 175.028 175.328 0.021 0.000 1.059 432 H CA -0.044 55.810 56.048 -0.324 0.000 1.461 432 H CB 0.404 29.882 29.762 -0.473 0.000 1.475 432 H HN -0.149 nan 8.280 nan 0.000 0.531 433 R N 4.302 124.473 120.500 -0.550 0.000 2.198 433 R HA 0.492 4.832 4.340 -0.000 0.000 0.339 433 R C -0.553 175.447 176.300 -0.500 0.000 1.020 433 R CA -0.676 55.248 56.100 -0.293 0.000 0.864 433 R CB 0.276 30.525 30.300 -0.086 0.000 1.105 433 R HN 0.814 nan 8.270 nan 0.000 0.463 434 A N 3.140 125.927 122.820 -0.054 0.000 2.565 434 A HA -0.018 4.302 4.320 -0.000 0.000 0.237 434 A C 1.349 179.046 177.584 0.188 0.000 1.053 434 A CA 0.584 52.819 52.037 0.329 0.000 0.755 434 A CB 0.277 19.672 19.000 0.658 0.000 0.980 434 A HN 1.041 nan 8.150 nan 0.000 0.506 435 S N 1.776 117.628 115.700 0.254 0.000 2.382 435 S HA -0.210 4.260 4.470 -0.000 0.000 0.228 435 S C 1.759 176.391 174.600 0.052 0.000 1.027 435 S CA 1.814 60.099 58.200 0.141 0.000 0.991 435 S CB -1.262 62.034 63.200 0.159 0.000 0.823 435 S HN 1.323 nan 8.310 nan 0.000 0.469 436 T N 0.441 114.991 114.554 -0.007 0.000 2.881 436 T HA 0.075 4.425 4.350 -0.000 0.000 0.270 436 T C 0.952 175.627 174.700 -0.042 0.000 1.068 436 T CA 0.063 62.097 62.100 -0.110 0.000 1.131 436 T CB -0.842 67.833 68.868 -0.321 0.000 0.871 436 T HN 0.262 nan 8.240 nan 0.000 0.479 437 L N 4.008 125.257 121.223 0.044 0.000 2.747 437 L HA -0.018 4.322 4.340 -0.000 0.000 0.286 437 L C 1.531 178.417 176.870 0.027 0.000 1.216 437 L CA 1.451 56.329 54.840 0.064 0.000 0.930 437 L CB -0.035 42.072 42.059 0.081 0.000 1.216 437 L HN 0.635 nan 8.230 nan 0.000 0.486 438 T N 0.286 114.831 114.554 -0.016 0.000 3.060 438 T HA 0.042 4.391 4.350 -0.000 0.000 0.249 438 T C 0.383 175.158 174.700 0.125 0.000 1.079 438 T CA -0.514 61.566 62.100 -0.034 0.000 1.013 438 T CB -0.092 68.629 68.868 -0.245 0.000 0.975 438 T HN 0.426 nan 8.240 nan 0.000 0.518 439 W N 3.350 124.702 121.300 0.087 0.000 2.161 439 W HA 0.434 5.094 4.660 -0.000 0.000 0.344 439 W C -1.930 174.526 176.519 -0.105 0.000 1.262 439 W CA -2.242 55.123 57.345 0.035 0.000 1.270 439 W CB 0.214 29.613 29.460 -0.101 0.000 1.126 439 W HN -0.062 nan 8.180 nan 0.000 0.598 440 P HA -0.116 nan 4.420 nan 0.000 0.271 440 P C 0.686 177.967 177.300 -0.032 0.000 1.233 440 P CA -0.142 62.947 63.100 -0.017 0.000 0.789 440 P CB 0.954 32.614 31.700 -0.066 0.000 0.951 441 L N 1.572 122.839 121.223 0.074 0.000 2.131 441 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 441 L C 2.375 179.341 176.870 0.160 0.000 1.092 441 L CA 1.790 56.692 54.840 0.103 0.000 0.759 441 L CB -1.661 40.474 42.059 0.126 0.000 0.903 441 L HN 0.657 nan 8.230 nan 0.000 0.435 442 W N -0.637 120.716 121.300 0.088 0.000 2.468 442 W HA -0.195 4.465 4.660 -0.000 0.000 0.262 442 W C 1.559 178.140 176.519 0.103 0.000 1.241 442 W CA 0.370 57.771 57.345 0.093 0.000 1.232 442 W CB -0.942 28.576 29.460 0.096 0.000 1.124 442 W HN 0.177 nan 8.180 nan 0.000 0.597 443 M N 1.090 120.575 119.600 -0.191 0.000 2.502 443 M HA 0.194 4.674 4.480 -0.000 0.000 0.243 443 M C 1.908 178.181 176.300 -0.044 0.000 1.130 443 M CA 1.050 56.194 55.300 -0.260 0.000 1.055 443 M CB -0.314 31.912 32.600 -0.622 0.000 1.457 443 M HN 0.141 nan 8.290 nan 0.000 0.488 444 G N 1.124 109.937 108.800 0.021 0.000 2.634 444 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.318 444 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.318 444 G C 0.057 174.979 174.900 0.038 0.000 1.207 444 G CA 0.161 45.296 45.100 0.059 0.000 0.987 444 G HN 0.257 nan 8.290 nan 0.000 0.547 445 V N 4.194 124.165 119.914 0.094 0.000 2.259 445 V HA 0.441 4.561 4.120 -0.000 0.000 0.267 445 V C -1.726 174.468 176.094 0.167 0.000 1.051 445 V CA -0.786 61.611 62.300 0.161 0.000 0.830 445 V CB 1.178 33.157 31.823 0.260 0.000 1.080 445 V HN 0.486 nan 8.190 nan 0.000 0.467 446 P HA 0.112 nan 4.420 nan 0.000 0.273 446 P C -0.218 177.251 177.300 0.282 0.000 1.250 446 P CA -0.448 62.700 63.100 0.080 0.000 0.793 446 P CB 0.363 31.916 31.700 -0.245 0.000 1.011 447 H N 0.496 119.617 119.070 0.085 0.000 3.187 447 H HA 0.258 4.814 4.556 -0.000 0.000 0.286 447 H C 1.498 176.735 175.328 -0.153 0.000 0.944 447 H CA 2.031 58.086 56.048 0.011 0.000 1.429 447 H CB -1.061 28.707 29.762 0.010 0.000 1.483 447 H HN 0.726 nan 8.280 nan 0.000 0.555 448 G N 4.035 112.618 108.800 -0.363 0.000 2.175 448 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.244 448 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.244 448 G C 0.262 174.980 174.900 -0.304 0.000 0.982 448 G CA 0.279 45.101 45.100 -0.463 0.000 0.641 448 G HN 0.626 nan 8.290 nan 0.000 0.527 449 Y N 1.434 121.762 120.300 0.047 0.000 2.676 449 Y HA 0.313 4.863 4.550 -0.000 0.000 0.331 449 Y C 2.021 177.958 175.900 0.061 0.000 1.128 449 Y CA 0.608 58.801 58.100 0.155 0.000 1.360 449 Y CB 0.161 38.761 38.460 0.232 0.000 1.176 449 Y HN 0.614 nan 8.280 nan 0.000 0.518 450 E N -0.839 119.245 120.200 -0.194 0.000 2.330 450 E HA -0.038 4.312 4.350 -0.000 0.000 0.200 450 E C 1.608 178.025 176.600 -0.304 0.000 0.922 450 E CA 0.443 56.395 56.400 -0.746 0.000 0.935 450 E CB -0.196 29.000 29.700 -0.840 0.000 0.917 450 E HN 0.333 nan 8.360 nan 0.000 0.491 451 I N 2.585 123.070 120.570 -0.142 0.000 2.087 451 I HA -0.336 3.834 4.170 -0.000 0.000 0.240 451 I C 2.305 178.364 176.117 -0.096 0.000 1.054 451 I CA 2.132 63.402 61.300 -0.050 0.000 1.311 451 I CB -1.521 36.503 38.000 0.040 0.000 1.024 451 I HN 0.186 nan 8.210 nan 0.000 0.402 452 E N 0.978 121.053 120.200 -0.207 0.000 2.136 452 E HA -0.251 4.099 4.350 -0.000 0.000 0.202 452 E C 2.164 178.407 176.600 -0.596 0.000 1.019 452 E CA 1.757 57.907 56.400 -0.417 0.000 0.819 452 E CB -0.488 28.898 29.700 -0.522 0.000 0.739 452 E HN 0.467 nan 8.360 nan 0.000 0.458 453 F N 0.770 120.570 119.950 -0.251 0.000 2.128 453 F HA -0.103 4.423 4.527 -0.000 0.000 0.295 453 F C 2.347 177.896 175.800 -0.420 0.000 1.100 453 F CA 0.560 58.349 58.000 -0.350 0.000 1.260 453 F CB -0.301 38.519 39.000 -0.299 0.000 1.009 453 F HN -0.043 nan 8.300 nan 0.000 0.476 454 I N -0.583 119.788 120.570 -0.331 0.000 2.208 454 I HA -0.297 3.872 4.170 -0.000 0.000 0.245 454 I C 2.269 178.085 176.117 -0.502 0.000 1.097 454 I CA 1.714 62.660 61.300 -0.590 0.000 1.363 454 I CB -1.521 35.977 38.000 -0.836 0.000 1.051 454 I HN 0.088 nan 8.210 nan 0.000 0.413 455 F N 0.891 120.623 119.950 -0.362 0.000 2.502 455 F HA 0.112 4.639 4.527 -0.000 0.000 0.298 455 F C 1.959 177.597 175.800 -0.269 0.000 1.111 455 F CA 1.148 58.979 58.000 -0.282 0.000 1.445 455 F CB -0.301 38.521 39.000 -0.297 0.000 1.081 455 F HN 0.317 nan 8.300 nan 0.000 0.558 456 G N -0.439 108.175 108.800 -0.311 0.000 2.131 456 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.223 456 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.223 456 G C 0.870 175.160 174.900 -1.017 0.000 0.990 456 G CA 0.213 44.993 45.100 -0.533 0.000 0.671 456 G HN 0.236 nan 8.290 nan 0.000 0.521 457 L N 0.369 121.090 121.223 -0.837 0.000 2.127 457 L HA 0.041 4.381 4.340 -0.000 0.000 0.211 457 L C 0.352 176.725 176.870 -0.828 0.000 1.089 457 L CA 2.594 56.940 54.840 -0.823 0.000 0.757 457 L CB -0.994 40.795 42.059 -0.451 0.000 0.899 457 L HN 0.209 nan 8.230 nan 0.000 0.434 458 P HA -0.111 nan 4.420 nan 0.000 0.225 458 P C 1.704 178.768 177.300 -0.394 0.000 1.148 458 P CA 0.813 63.343 63.100 -0.950 0.000 0.779 458 P CB 0.086 31.253 31.700 -0.888 0.000 0.780 459 L N -1.142 119.798 121.223 -0.471 0.000 2.275 459 L HA -0.072 4.268 4.340 -0.000 0.000 0.215 459 L C 1.081 177.887 176.870 -0.107 0.000 1.119 459 L CA 1.151 55.836 54.840 -0.259 0.000 0.790 459 L CB -1.039 40.865 42.059 -0.259 0.000 0.919 459 L HN -0.024 nan 8.230 nan 0.000 0.443 460 D N -0.308 120.005 120.400 -0.145 0.000 2.339 460 D HA 0.042 4.682 4.640 -0.000 0.000 0.256 460 D C -1.675 174.663 176.300 0.063 0.000 1.214 460 D CA -1.790 52.244 54.000 0.057 0.000 0.877 460 D CB 1.610 42.474 40.800 0.106 0.000 1.111 460 D HN -0.057 nan 8.370 nan 0.000 0.478 461 P HA -0.127 nan 4.420 nan 0.000 0.217 461 P C 1.477 178.810 177.300 0.056 0.000 1.151 461 P CA 1.095 64.232 63.100 0.062 0.000 0.828 461 P CB 0.150 31.882 31.700 0.053 0.000 0.788 462 S N -0.539 115.192 115.700 0.051 0.000 2.370 462 S HA -0.121 4.349 4.470 -0.000 0.000 0.226 462 S C 0.940 175.552 174.600 0.020 0.000 1.033 462 S CA 0.719 58.938 58.200 0.031 0.000 1.011 462 S CB -1.635 61.582 63.200 0.027 0.000 0.852 462 S HN 0.010 nan 8.310 nan 0.000 0.457 463 L N 2.712 123.960 121.223 0.043 0.000 2.453 463 L HA 0.165 4.505 4.340 -0.000 0.000 0.272 463 L C 0.120 176.992 176.870 0.003 0.000 1.182 463 L CA -0.406 54.445 54.840 0.018 0.000 0.858 463 L CB 0.062 42.201 42.059 0.133 0.000 1.120 463 L HN 0.258 nan 8.230 nan 0.000 0.474 464 N N 3.230 121.854 118.700 -0.126 0.000 3.245 464 N HA 0.129 4.869 4.740 -0.000 0.000 0.296 464 N C -0.954 174.464 175.510 -0.154 0.000 1.254 464 N CA 0.096 53.082 53.050 -0.106 0.000 1.190 464 N CB -0.117 38.307 38.487 -0.105 0.000 1.460 464 N HN 0.358 nan 8.380 nan 0.000 0.538 465 Y N 0.077 120.391 120.300 0.023 0.000 2.419 465 Y HA 0.193 4.743 4.550 -0.000 0.000 0.328 465 Y C 1.517 177.465 175.900 0.080 0.000 1.162 465 Y CA -0.854 57.287 58.100 0.068 0.000 1.174 465 Y CB 0.989 39.477 38.460 0.048 0.000 1.228 465 Y HN 0.075 nan 8.280 nan 0.000 0.473 466 T N -2.486 112.246 114.554 0.296 0.000 2.868 466 T HA 0.086 4.436 4.350 -0.000 0.000 0.292 466 T C 1.072 175.875 174.700 0.172 0.000 1.028 466 T CA -0.351 61.863 62.100 0.189 0.000 1.059 466 T CB 0.987 69.955 68.868 0.166 0.000 0.991 466 T HN 0.727 nan 8.240 nan 0.000 0.531 467 T N 1.717 116.338 114.554 0.112 0.000 2.759 467 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 467 T C 1.694 176.445 174.700 0.086 0.000 1.042 467 T CA 1.927 64.079 62.100 0.086 0.000 1.140 467 T CB -0.388 68.516 68.868 0.060 0.000 0.864 467 T HN 0.783 nan 8.240 nan 0.000 0.455 468 E N 1.248 121.494 120.200 0.077 0.000 2.106 468 E HA -0.074 4.276 4.350 -0.000 0.000 0.192 468 E C 2.248 178.918 176.600 0.117 0.000 0.984 468 E CA 0.851 57.282 56.400 0.052 0.000 0.806 468 E CB -0.221 29.467 29.700 -0.019 0.000 0.750 468 E HN 0.581 nan 8.360 nan 0.000 0.458 469 E N 0.557 120.867 120.200 0.184 0.000 2.118 469 E HA -0.214 4.136 4.350 -0.000 0.000 0.195 469 E C 2.137 178.900 176.600 0.271 0.000 0.992 469 E CA 0.771 57.387 56.400 0.361 0.000 0.804 469 E CB -0.083 29.950 29.700 0.555 0.000 0.741 469 E HN 0.134 nan 8.360 nan 0.000 0.458 470 R N 1.053 121.635 120.500 0.137 0.000 2.062 470 R HA -0.142 4.198 4.340 -0.000 0.000 0.231 470 R C 2.331 178.663 176.300 0.053 0.000 1.136 470 R CA 1.303 57.422 56.100 0.032 0.000 0.948 470 R CB -0.283 30.030 30.300 0.022 0.000 0.845 470 R HN 0.120 nan 8.270 nan 0.000 0.430 471 I N 0.722 121.345 120.570 0.087 0.000 2.208 471 I HA -0.289 3.881 4.170 -0.000 0.000 0.245 471 I C 2.342 178.551 176.117 0.153 0.000 1.097 471 I CA 1.053 62.406 61.300 0.087 0.000 1.363 471 I CB -0.448 37.597 38.000 0.074 0.000 1.051 471 I HN 0.197 nan 8.210 nan 0.000 0.413 472 F N 2.178 122.130 119.950 0.004 0.000 2.069 472 F HA -0.252 4.275 4.527 -0.000 0.000 0.298 472 F C 2.505 178.351 175.800 0.076 0.000 1.113 472 F CA 1.341 59.350 58.000 0.015 0.000 1.214 472 F CB -0.987 37.978 39.000 -0.058 0.000 0.978 472 F HN 0.043 nan 8.300 nan 0.000 0.474 473 A N 0.353 123.163 122.820 -0.017 0.000 1.917 473 A HA -0.282 4.038 4.320 -0.000 0.000 0.219 473 A C 2.156 179.670 177.584 -0.116 0.000 1.182 473 A CA 2.079 54.028 52.037 -0.147 0.000 0.633 473 A CB -1.018 17.886 19.000 -0.159 0.000 0.819 473 A HN 0.661 nan 8.150 nan 0.000 0.448 474 Q N -1.175 118.592 119.800 -0.056 0.000 2.084 474 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 474 Q C 2.395 178.361 176.000 -0.056 0.000 0.978 474 Q CA 1.558 57.332 55.803 -0.050 0.000 0.844 474 Q CB -0.221 28.504 28.738 -0.022 0.000 0.898 474 Q HN 0.685 nan 8.270 nan 0.000 0.426 475 R N 0.704 121.190 120.500 -0.024 0.000 2.073 475 R HA -0.139 4.201 4.340 -0.000 0.000 0.234 475 R C 2.263 178.476 176.300 -0.144 0.000 1.134 475 R CA 1.155 57.196 56.100 -0.098 0.000 0.952 475 R CB -0.187 30.180 30.300 0.112 0.000 0.850 475 R HN 0.210 nan 8.270 nan 0.000 0.433 476 L N 0.005 121.284 121.223 0.093 0.000 2.017 476 L HA -0.208 4.132 4.340 -0.000 0.000 0.208 476 L C 2.620 179.633 176.870 0.239 0.000 1.073 476 L CA 1.490 56.508 54.840 0.297 0.000 0.745 476 L CB -0.311 41.713 42.059 -0.059 0.000 0.894 476 L HN 0.285 nan 8.230 nan 0.000 0.432 477 M N -0.927 118.675 119.600 0.003 0.000 2.149 477 M HA -0.205 4.275 4.480 -0.000 0.000 0.261 477 M C 2.281 178.618 176.300 0.062 0.000 1.064 477 M CA 1.463 56.752 55.300 -0.018 0.000 1.102 477 M CB -0.322 32.228 32.600 -0.083 0.000 1.369 477 M HN 0.067 nan 8.290 nan 0.000 0.408 478 K N 0.006 120.402 120.400 -0.006 0.000 2.026 478 K HA -0.128 4.192 4.320 -0.000 0.000 0.208 478 K C 1.802 178.419 176.600 0.030 0.000 1.048 478 K CA 1.735 57.989 56.287 -0.055 0.000 0.929 478 K CB -0.660 31.725 32.500 -0.193 0.000 0.713 478 K HN 0.360 nan 8.250 nan 0.000 0.439 479 Y N -0.336 120.094 120.300 0.215 0.000 2.128 479 Y HA -0.224 4.326 4.550 -0.000 0.000 0.284 479 Y C 2.523 178.454 175.900 0.052 0.000 1.154 479 Y CA 0.980 59.179 58.100 0.165 0.000 1.149 479 Y CB -0.674 37.979 38.460 0.321 0.000 0.976 479 Y HN 0.198 nan 8.280 nan 0.000 0.505 480 W N 0.707 122.074 121.300 0.112 0.000 2.354 480 W HA -0.243 4.417 4.660 -0.000 0.000 0.315 480 W C 2.625 179.127 176.519 -0.029 0.000 1.206 480 W CA 2.564 59.908 57.345 -0.002 0.000 1.290 480 W CB -0.954 28.425 29.460 -0.135 0.000 1.152 480 W HN 0.236 nan 8.180 nan 0.000 0.489 481 T N -1.755 112.879 114.554 0.134 0.000 2.833 481 T HA -0.185 4.165 4.350 -0.000 0.000 0.269 481 T C 1.487 176.183 174.700 -0.007 0.000 1.054 481 T CA 1.326 63.439 62.100 0.022 0.000 1.135 481 T CB -0.625 68.246 68.868 0.004 0.000 0.869 481 T HN -0.019 nan 8.240 nan 0.000 0.466 482 N N 0.632 119.339 118.700 0.011 0.000 2.142 482 N HA 0.015 4.754 4.740 -0.000 0.000 0.186 482 N C 1.456 176.916 175.510 -0.084 0.000 1.023 482 N CA 1.017 54.051 53.050 -0.027 0.000 0.852 482 N CB -0.507 37.981 38.487 0.002 0.000 0.998 482 N HN 0.474 nan 8.380 nan 0.000 0.424 483 F N 1.937 121.746 119.950 -0.235 0.000 2.171 483 F HA -0.060 4.467 4.527 -0.000 0.000 0.300 483 F C 2.174 177.843 175.800 -0.219 0.000 1.090 483 F CA 1.152 58.948 58.000 -0.340 0.000 1.293 483 F CB -0.373 38.316 39.000 -0.518 0.000 1.013 483 F HN 0.003 nan 8.300 nan 0.000 0.486 484 A N 0.437 123.147 122.820 -0.183 0.000 1.858 484 A HA -0.183 4.137 4.320 -0.000 0.000 0.216 484 A C 2.240 179.697 177.584 -0.211 0.000 1.190 484 A CA 1.886 53.812 52.037 -0.186 0.000 0.617 484 A CB -0.717 18.240 19.000 -0.072 0.000 0.827 484 A HN 0.390 nan 8.150 nan 0.000 0.443 485 R N -0.683 119.721 120.500 -0.160 0.000 2.070 485 R HA -0.075 4.265 4.340 -0.000 0.000 0.227 485 R C 2.755 178.952 176.300 -0.171 0.000 1.147 485 R CA 2.516 58.538 56.100 -0.131 0.000 0.924 485 R CB -0.864 29.383 30.300 -0.089 0.000 0.827 485 R HN 0.713 nan 8.270 nan 0.000 0.431 486 T N -4.037 110.407 114.554 -0.184 0.000 2.814 486 T HA 0.147 4.497 4.350 -0.000 0.000 0.254 486 T C 1.319 175.860 174.700 -0.264 0.000 1.037 486 T CA 0.878 62.871 62.100 -0.178 0.000 1.143 486 T CB -0.036 68.757 68.868 -0.125 0.000 0.866 486 T HN 0.446 nan 8.240 nan 0.000 0.431 487 G N 1.032 109.570 108.800 -0.437 0.000 2.181 487 G HA2 -0.015 3.944 3.960 -0.000 0.000 0.152 487 G HA3 -0.015 3.944 3.960 -0.000 0.000 0.152 487 G C -0.467 174.214 174.900 -0.365 0.000 1.026 487 G CA 0.038 44.751 45.100 -0.646 0.000 0.699 487 G HN 0.823 nan 8.290 nan 0.000 0.497 488 D N -0.266 119.940 120.400 -0.323 0.000 2.419 488 D HA 0.271 4.911 4.640 -0.000 0.000 0.219 488 D C -1.878 174.264 176.300 -0.263 0.000 1.349 488 D CA -0.834 52.971 54.000 -0.326 0.000 0.964 488 D CB 1.961 42.709 40.800 -0.086 0.000 1.463 488 D HN -0.008 nan 8.370 nan 0.000 0.573 489 P HA -0.075 nan 4.420 nan 0.000 0.236 489 P C 0.068 177.434 177.300 0.110 0.000 1.172 489 P CA 0.160 63.142 63.100 -0.196 0.000 0.759 489 P CB 0.317 31.651 31.700 -0.610 0.000 0.843 490 N N 0.999 119.739 118.700 0.067 0.000 2.529 490 N HA 0.088 4.828 4.740 -0.000 0.000 0.278 490 N C 0.224 175.802 175.510 0.113 0.000 1.146 490 N CA 0.224 53.378 53.050 0.174 0.000 0.980 490 N CB 0.065 38.655 38.487 0.172 0.000 1.124 490 N HN 0.092 nan 8.380 nan 0.000 0.458 491 D N 3.360 123.835 120.400 0.124 0.000 2.660 491 D HA -0.038 4.602 4.640 -0.000 0.000 0.253 491 D C -0.845 175.487 176.300 0.052 0.000 1.256 491 D CA -0.873 53.166 54.000 0.065 0.000 0.914 491 D CB -0.464 40.377 40.800 0.067 0.000 1.137 491 D HN 0.312 nan 8.370 nan 0.000 0.542 492 P HA -0.367 nan 4.420 nan 0.000 0.217 492 P C 1.610 178.924 177.300 0.024 0.000 0.937 492 P CA 3.748 66.858 63.100 0.016 0.000 1.028 492 P CB 0.124 31.826 31.700 0.005 0.000 0.735 493 R N -0.817 119.697 120.500 0.023 0.000 2.107 493 R HA 0.217 4.557 4.340 -0.000 0.000 0.195 493 R C 1.942 178.261 176.300 0.032 0.000 1.214 493 R CA 1.348 57.463 56.100 0.025 0.000 1.129 493 R CB -1.600 28.710 30.300 0.017 0.000 1.045 493 R HN 0.416 nan 8.270 nan 0.000 0.489 494 D N 3.025 123.442 120.400 0.028 0.000 3.011 494 D HA 0.021 4.661 4.640 -0.000 0.000 0.268 494 D C 0.206 176.532 176.300 0.044 0.000 1.410 494 D CA -0.083 53.936 54.000 0.031 0.000 1.475 494 D CB -0.548 40.266 40.800 0.024 0.000 1.180 494 D HN 0.341 nan 8.370 nan 0.000 0.569 495 R N 1.146 121.674 120.500 0.047 0.000 4.966 495 R HA 0.149 4.489 4.340 -0.000 0.000 0.172 495 R C 2.473 178.809 176.300 0.061 0.000 2.262 495 R CA 0.647 56.783 56.100 0.060 0.000 1.794 495 R CB -1.650 28.682 30.300 0.053 0.000 1.291 495 R HN 0.746 nan 8.270 nan 0.000 0.803 496 K N 0.561 121.000 120.400 0.064 0.000 2.031 496 K HA -0.335 3.985 4.320 -0.000 0.000 0.228 496 K C 1.776 178.414 176.600 0.065 0.000 1.050 496 K CA 2.955 59.279 56.287 0.062 0.000 0.980 496 K CB -0.845 31.698 32.500 0.072 0.000 0.738 496 K HN 0.630 nan 8.250 nan 0.000 0.451 497 S N -1.376 114.374 115.700 0.083 0.000 6.857 497 S HA 0.347 4.817 4.470 -0.000 0.000 0.074 497 S C -2.085 172.570 174.600 0.093 0.000 1.363 497 S CA 0.225 58.469 58.200 0.075 0.000 1.202 497 S CB -0.527 62.709 63.200 0.060 0.000 1.621 497 S HN 0.479 nan 8.310 nan 0.000 0.554 498 P HA 0.606 nan 4.420 nan 0.000 0.271 498 P C -0.945 176.459 177.300 0.175 0.000 1.216 498 P CA 0.238 63.410 63.100 0.120 0.000 0.771 498 P CB 1.190 32.957 31.700 0.111 0.000 0.864 499 Q N 1.380 121.281 119.800 0.167 0.000 2.274 499 Q HA 0.445 4.785 4.340 -0.000 0.000 0.260 499 Q C -1.694 174.484 176.000 0.297 0.000 0.974 499 Q CA -0.463 55.475 55.803 0.225 0.000 0.876 499 Q CB 0.907 29.747 28.738 0.170 0.000 1.297 499 Q HN 0.449 nan 8.270 nan 0.000 0.446 500 W N 7.601 128.994 121.300 0.155 0.000 2.283 500 W HA 0.455 5.115 4.660 -0.000 0.000 0.317 500 W C -2.662 173.976 176.519 0.199 0.000 1.042 500 W CA -2.667 54.778 57.345 0.167 0.000 1.348 500 W CB 0.810 30.378 29.460 0.180 0.000 1.216 500 W HN 0.497 nan 8.180 nan 0.000 0.404 501 P HA 0.265 nan 4.420 nan 0.000 0.282 501 P C -2.669 174.684 177.300 0.089 0.000 1.249 501 P CA -1.709 61.524 63.100 0.222 0.000 0.806 501 P CB 1.265 33.040 31.700 0.125 0.000 0.984 502 P HA 0.063 nan 4.420 nan 0.000 0.271 502 P C -0.475 176.776 177.300 -0.081 0.000 1.220 502 P CA 0.138 62.964 63.100 -0.456 0.000 0.768 502 P CB -0.061 31.404 31.700 -0.391 0.000 0.848 503 Y N 4.170 124.424 120.300 -0.076 0.000 2.544 503 Y HA 0.226 4.776 4.550 -0.000 0.000 0.330 503 Y C 0.141 176.044 175.900 0.006 0.000 1.136 503 Y CA 0.685 58.807 58.100 0.038 0.000 1.417 503 Y CB 0.006 38.525 38.460 0.099 0.000 1.229 503 Y HN 0.363 nan 8.280 nan 0.000 0.532 504 T N 1.464 115.789 114.554 -0.381 0.000 2.916 504 T HA 0.266 4.616 4.350 -0.000 0.000 0.292 504 T C 1.022 175.533 174.700 -0.315 0.000 1.055 504 T CA -0.276 61.703 62.100 -0.201 0.000 1.009 504 T CB 1.383 70.170 68.868 -0.136 0.000 1.118 504 T HN 0.632 nan 8.240 nan 0.000 0.497 505 T N 0.150 114.659 114.554 -0.075 0.000 2.708 505 T HA -0.073 4.277 4.350 -0.000 0.000 0.266 505 T C 2.298 176.953 174.700 -0.075 0.000 1.037 505 T CA 0.998 63.082 62.100 -0.026 0.000 1.146 505 T CB -0.837 68.058 68.868 0.044 0.000 0.865 505 T HN 0.768 nan 8.240 nan 0.000 0.435 506 A N 2.183 124.964 122.820 -0.066 0.000 1.835 506 A HA 0.310 4.630 4.320 -0.000 0.000 0.215 506 A C 2.817 180.348 177.584 -0.088 0.000 1.199 506 A CA 2.027 54.031 52.037 -0.055 0.000 0.615 506 A CB -1.474 17.504 19.000 -0.037 0.000 0.838 506 A HN 0.654 nan 8.150 nan 0.000 0.444 507 A N -2.049 120.696 122.820 -0.124 0.000 1.873 507 A HA 0.019 4.339 4.320 -0.000 0.000 0.215 507 A C 1.094 178.558 177.584 -0.199 0.000 1.186 507 A CA 1.381 53.337 52.037 -0.134 0.000 0.616 507 A CB -0.481 18.448 19.000 -0.119 0.000 0.823 507 A HN 0.674 nan 8.150 nan 0.000 0.442 508 Q N -0.685 118.865 119.800 -0.416 0.000 2.464 508 Q HA -0.178 4.162 4.340 -0.000 0.000 0.304 508 Q C -0.987 174.844 176.000 -0.281 0.000 1.401 508 Q CA 0.558 55.961 55.803 -0.666 0.000 0.806 508 Q CB -1.807 26.785 28.738 -0.243 0.000 1.134 508 Q HN 0.868 nan 8.270 nan 0.000 0.411 509 Q N 0.690 120.350 119.800 -0.234 0.000 2.257 509 Q HA 0.599 4.938 4.340 -0.000 0.000 0.255 509 Q C -0.461 175.708 176.000 0.281 0.000 0.920 509 Q CA -0.361 55.447 55.803 0.007 0.000 0.927 509 Q CB 0.864 29.582 28.738 -0.033 0.000 1.229 509 Q HN 0.381 nan 8.270 nan 0.000 0.433 510 Y N -1.240 119.125 120.300 0.108 0.000 2.638 510 Y HA 0.800 5.350 4.550 -0.000 0.000 0.339 510 Y C -0.888 174.934 175.900 -0.130 0.000 1.084 510 Y CA -1.506 56.632 58.100 0.063 0.000 1.068 510 Y CB 0.753 39.283 38.460 0.115 0.000 1.294 510 Y HN 0.357 nan 8.280 nan 0.000 0.480 511 V N -1.156 118.659 119.914 -0.165 0.000 2.960 511 V HA 0.682 4.802 4.120 -0.000 0.000 0.315 511 V C -0.265 175.757 176.094 -0.119 0.000 1.087 511 V CA -0.659 61.434 62.300 -0.344 0.000 0.982 511 V CB 1.437 32.800 31.823 -0.768 0.000 1.039 511 V HN 1.028 nan 8.190 nan 0.000 0.437 512 S N 3.961 119.592 115.700 -0.115 0.000 2.494 512 S HA 0.361 4.831 4.470 -0.000 0.000 0.312 512 S C -0.243 174.320 174.600 -0.061 0.000 1.121 512 S CA -0.528 57.654 58.200 -0.031 0.000 1.068 512 S CB -0.536 62.637 63.200 -0.046 0.000 1.141 512 S HN 0.652 nan 8.310 nan 0.000 0.527 513 L N 6.398 127.624 121.223 0.004 0.000 2.385 513 L HA 0.446 4.786 4.340 -0.000 0.000 0.285 513 L C 0.297 177.117 176.870 -0.085 0.000 1.125 513 L CA 0.532 55.400 54.840 0.047 0.000 0.890 513 L CB -0.983 41.200 42.059 0.207 0.000 1.251 513 L HN 1.003 nan 8.230 nan 0.000 0.445 514 N N 1.179 119.759 118.700 -0.200 0.000 3.261 514 N HA 0.213 4.953 4.740 -0.000 0.000 0.248 514 N C 0.554 175.547 175.510 -0.862 0.000 1.498 514 N CA -0.880 51.792 53.050 -0.630 0.000 0.884 514 N CB 0.508 38.765 38.487 -0.382 0.000 1.428 514 N HN 0.088 nan 8.380 nan 0.000 0.517 515 L N -0.941 119.666 121.223 -1.027 0.000 2.034 515 L HA -0.165 4.175 4.340 -0.000 0.000 0.217 515 L C 0.591 177.238 176.870 -0.372 0.000 1.077 515 L CA 1.289 55.675 54.840 -0.757 0.000 0.769 515 L CB -0.630 41.090 42.059 -0.565 0.000 0.890 515 L HN 0.496 nan 8.230 nan 0.000 0.435 516 K N 0.360 120.604 120.400 -0.261 0.000 2.298 516 K HA 0.272 4.592 4.320 -0.000 0.000 0.280 516 K C -2.089 174.451 176.600 -0.100 0.000 1.032 516 K CA -2.049 54.154 56.287 -0.139 0.000 0.958 516 K CB -0.056 32.383 32.500 -0.102 0.000 0.978 516 K HN -0.153 nan 8.250 nan 0.000 0.472 517 P HA -0.128 nan 4.420 nan 0.000 0.272 517 P C 0.274 177.583 177.300 0.014 0.000 1.210 517 P CA 0.090 63.202 63.100 0.020 0.000 0.789 517 P CB 0.381 32.099 31.700 0.029 0.000 0.849 518 L N 1.387 122.647 121.223 0.062 0.000 2.554 518 L HA -0.095 4.245 4.340 -0.000 0.000 0.293 518 L C 1.085 177.938 176.870 -0.028 0.000 1.252 518 L CA 1.177 56.021 54.840 0.007 0.000 0.862 518 L CB -0.110 41.978 42.059 0.048 0.000 1.113 518 L HN 0.533 nan 8.230 nan 0.000 0.510 519 E N 2.776 122.929 120.200 -0.078 0.000 2.642 519 E HA 0.214 4.564 4.350 -0.000 0.000 0.284 519 E C -1.166 175.353 176.600 -0.135 0.000 1.039 519 E CA -0.520 55.831 56.400 -0.080 0.000 0.777 519 E CB 1.346 31.005 29.700 -0.068 0.000 1.473 519 E HN 0.317 nan 8.360 nan 0.000 0.388 520 V N 3.837 123.672 119.914 -0.132 0.000 2.694 520 V HA 0.083 4.203 4.120 -0.000 0.000 0.306 520 V C 0.652 176.591 176.094 -0.259 0.000 1.054 520 V CA 0.700 62.886 62.300 -0.191 0.000 1.161 520 V CB 0.334 32.089 31.823 -0.113 0.000 0.916 520 V HN 0.604 nan 8.190 nan 0.000 0.490 521 R N 3.716 123.936 120.500 -0.467 0.000 2.855 521 R HA 0.745 5.085 4.340 -0.000 0.000 0.266 521 R C -1.010 174.934 176.300 -0.594 0.000 1.034 521 R CA -1.108 54.650 56.100 -0.569 0.000 0.944 521 R CB 2.354 32.172 30.300 -0.803 0.000 1.219 521 R HN 0.604 nan 8.270 nan 0.000 0.474 522 R N -0.107 120.205 120.500 -0.314 0.000 2.621 522 R HA 0.533 4.873 4.340 -0.000 0.000 0.292 522 R C -0.739 175.654 176.300 0.154 0.000 0.969 522 R CA -0.608 55.444 56.100 -0.080 0.000 0.887 522 R CB 2.202 32.471 30.300 -0.052 0.000 1.180 522 R HN 0.881 nan 8.270 nan 0.000 0.450 523 G N 2.647 111.633 108.800 0.309 0.000 3.316 523 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.445 523 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.445 523 G C -0.597 174.578 174.900 0.459 0.000 1.002 523 G CA -0.819 44.484 45.100 0.339 0.000 0.818 523 G HN 0.519 nan 8.290 nan 0.000 0.404 524 L N 4.198 125.590 121.223 0.282 0.000 2.385 524 L HA 0.291 4.631 4.340 -0.000 0.000 0.285 524 L C 1.585 178.496 176.870 0.068 0.000 1.125 524 L CA -0.806 54.006 54.840 -0.046 0.000 0.890 524 L CB 0.177 42.133 42.059 -0.171 0.000 1.251 524 L HN 0.759 nan 8.230 nan 0.000 0.445 525 R N 2.232 122.796 120.500 0.105 0.000 3.591 525 R HA -0.302 4.037 4.340 -0.000 0.000 0.268 525 R C 1.433 177.835 176.300 0.171 0.000 1.102 525 R CA 0.667 56.857 56.100 0.150 0.000 0.732 525 R CB -2.097 28.296 30.300 0.156 0.000 1.117 525 R HN 0.860 nan 8.270 nan 0.000 0.472 526 A N 0.502 123.423 122.820 0.168 0.000 1.944 526 A HA -0.375 3.945 4.320 -0.000 0.000 0.222 526 A C 2.099 179.780 177.584 0.161 0.000 1.237 526 A CA 2.266 54.400 52.037 0.162 0.000 0.668 526 A CB -0.292 18.797 19.000 0.149 0.000 0.830 526 A HN 0.453 nan 8.150 nan 0.000 0.471 527 Q N -1.167 118.728 119.800 0.159 0.000 1.990 527 Q HA -0.078 4.262 4.340 -0.000 0.000 0.200 527 Q C 2.338 178.473 176.000 0.224 0.000 0.980 527 Q CA 2.445 58.347 55.803 0.165 0.000 0.832 527 Q CB -0.972 27.847 28.738 0.136 0.000 0.897 527 Q HN 0.683 nan 8.270 nan 0.000 0.427 528 T N -0.400 114.305 114.554 0.252 0.000 2.652 528 T HA -0.187 4.162 4.350 -0.000 0.000 0.267 528 T C 1.993 176.887 174.700 0.325 0.000 1.039 528 T CA 1.508 63.754 62.100 0.244 0.000 1.153 528 T CB -0.751 68.303 68.868 0.310 0.000 0.863 528 T HN 0.351 nan 8.240 nan 0.000 0.428 529 c N 1.622 120.417 118.600 0.325 0.000 2.419 529 c HA 0.189 4.759 4.570 -0.000 0.000 0.283 529 c C 3.149 177.394 174.090 0.258 0.000 1.373 529 c CA 0.039 56.563 56.329 0.325 0.000 1.781 529 c CB -1.589 41.047 42.510 0.210 0.000 1.886 529 c HN 0.655 nan 8.230 nan 0.000 0.520 530 A N -0.114 122.840 122.820 0.223 0.000 1.968 530 A HA -0.084 4.236 4.320 -0.000 0.000 0.217 530 A C 1.802 179.515 177.584 0.214 0.000 1.169 530 A CA 1.092 53.241 52.037 0.188 0.000 0.638 530 A CB -0.633 18.466 19.000 0.164 0.000 0.812 530 A HN 0.520 nan 8.150 nan 0.000 0.446 531 F N -0.488 119.491 119.950 0.049 0.000 2.051 531 F HA -0.142 4.385 4.527 -0.000 0.000 0.296 531 F C 1.944 177.729 175.800 -0.025 0.000 1.122 531 F CA 1.396 59.367 58.000 -0.049 0.000 1.201 531 F CB -0.942 37.812 39.000 -0.411 0.000 0.978 531 F HN 0.379 nan 8.300 nan 0.000 0.472 532 W N 0.975 122.084 121.300 -0.320 0.000 2.353 532 W HA -0.219 4.441 4.660 -0.000 0.000 0.319 532 W C 2.376 178.766 176.519 -0.214 0.000 1.207 532 W CA 1.246 58.355 57.345 -0.394 0.000 1.291 532 W CB -0.791 28.589 29.460 -0.133 0.000 1.159 532 W HN 0.006 nan 8.180 nan 0.000 0.478 533 N N -0.268 118.535 118.700 0.171 0.000 2.331 533 N HA -0.048 4.692 4.740 -0.000 0.000 0.180 533 N C 1.586 177.131 175.510 0.059 0.000 1.019 533 N CA 1.129 54.235 53.050 0.093 0.000 0.881 533 N CB -0.385 38.156 38.487 0.091 0.000 0.972 533 N HN 0.279 nan 8.380 nan 0.000 0.435 534 R N -1.054 119.493 120.500 0.078 0.000 2.084 534 R HA 0.164 4.504 4.340 -0.000 0.000 0.209 534 R C 1.647 178.015 176.300 0.113 0.000 1.173 534 R CA 0.139 56.297 56.100 0.097 0.000 1.053 534 R CB -0.423 29.957 30.300 0.133 0.000 0.948 534 R HN 0.116 nan 8.270 nan 0.000 0.460 535 F N 1.975 121.903 119.950 -0.036 0.000 2.104 535 F HA 0.012 4.539 4.527 -0.000 0.000 0.288 535 F C 2.122 177.856 175.800 -0.110 0.000 1.107 535 F CA 0.811 58.790 58.000 -0.035 0.000 1.208 535 F CB -0.705 38.326 39.000 0.052 0.000 1.033 535 F HN -0.143 nan 8.300 nan 0.000 0.478 536 L N 0.975 121.832 121.223 -0.609 0.000 2.085 536 L HA -0.242 4.098 4.340 -0.000 0.000 0.218 536 L C -0.556 176.036 176.870 -0.464 0.000 1.080 536 L CA 2.550 56.943 54.840 -0.745 0.000 0.776 536 L CB -1.997 39.504 42.059 -0.931 0.000 0.891 536 L HN 0.142 nan 8.230 nan 0.000 0.437 537 P HA -0.201 nan 4.420 nan 0.000 0.214 537 P C 1.323 178.515 177.300 -0.180 0.000 1.163 537 P CA 1.733 64.734 63.100 -0.166 0.000 0.883 537 P CB -0.152 31.494 31.700 -0.090 0.000 0.788 538 K N -0.478 119.802 120.400 -0.201 0.000 2.288 538 K HA -0.032 4.288 4.320 -0.000 0.000 0.201 538 K C 2.096 178.560 176.600 -0.228 0.000 1.048 538 K CA 0.921 57.115 56.287 -0.156 0.000 0.956 538 K CB -1.119 31.339 32.500 -0.070 0.000 0.746 538 K HN 0.225 nan 8.250 nan 0.000 0.461 539 L N 1.162 122.124 121.223 -0.434 0.000 2.056 539 L HA -0.088 4.252 4.340 -0.000 0.000 0.207 539 L C 2.362 179.102 176.870 -0.218 0.000 1.078 539 L CA 0.970 55.562 54.840 -0.414 0.000 0.749 539 L CB -0.160 41.510 42.059 -0.648 0.000 0.901 539 L HN 0.168 nan 8.230 nan 0.000 0.433 540 L N -0.497 120.604 121.223 -0.204 0.000 2.056 540 L HA -0.172 4.168 4.340 -0.000 0.000 0.207 540 L C 2.409 179.229 176.870 -0.083 0.000 1.078 540 L CA 1.468 56.236 54.840 -0.120 0.000 0.749 540 L CB -0.405 41.591 42.059 -0.105 0.000 0.901 540 L HN 0.349 nan 8.230 nan 0.000 0.433 541 S N -0.891 114.758 115.700 -0.084 0.000 2.786 541 S HA 0.192 4.662 4.470 -0.000 0.000 0.223 541 S C 1.224 175.798 174.600 -0.043 0.000 0.956 541 S CA 0.384 58.551 58.200 -0.055 0.000 0.961 541 S CB 0.192 63.364 63.200 -0.047 0.000 0.784 541 S HN 0.348 nan 8.310 nan 0.000 0.519 542 A N 1.769 124.559 122.820 -0.049 0.000 1.997 542 A HA 0.278 4.598 4.320 -0.000 0.000 0.198 542 A C 1.388 178.958 177.584 -0.024 0.000 1.449 542 A CA 0.529 52.548 52.037 -0.031 0.000 0.908 542 A CB -0.607 18.375 19.000 -0.030 0.000 0.984 542 A HN 0.565 nan 8.150 nan 0.000 0.487 543 T N -0.491 114.043 114.554 -0.033 0.000 3.455 543 T HA 0.534 4.884 4.350 -0.000 0.000 0.286 543 T C -0.279 174.408 174.700 -0.021 0.000 1.157 543 T CA 0.734 62.820 62.100 -0.023 0.000 1.090 543 T CB -0.723 68.129 68.868 -0.027 0.000 1.112 543 T HN 0.813 nan 8.240 nan 0.000 0.779 544 D N 0.000 120.391 120.400 -0.015 0.000 6.856 544 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 544 D CA 0.000 53.992 54.000 -0.013 0.000 0.868 544 D CB 0.000 40.790 40.800 -0.017 0.000 0.688 544 D HN 0.000 nan 8.370 nan 0.000 0.683