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 3l73_1_A DATA FIRST_RESID 1 DATA SEQUENCE AATYAQTLQN IPETNVTTLD NGLRVASEES SQPTCTVGVW IGAGSRYENE DATA SEQUENCE KNNGAGYFVE HLAFKGTKKR PCAAFEKEVE SMGAHFNGYT SREQTAFYIK DATA SEQUENCE ALSKDMPKVV ELLADVVQNC ALEESQIEKE RGVILQELKE MDNDMTNVTF DATA SEQUENCE DYLHATAFQG TALARTVEGT TENIKHLTRA DLASYIDTHF KAPRMVLAAA DATA SEQUENCE GGISHKELVD AARQHFSGVS FTYKEDAVPI LPRCRFTGSE IRARDDALPV DATA SEQUENCE AHVALAVEGP GWADPDNVVL HVANAIIGRY DRTFGGGKHL SSRLAALAVE DATA SEQUENCE HKLCHSFQTF NTSYSDTGLF GFHFVADPLS IDDMMFCAQG EWMRLCTSTT DATA SEQUENCE ESEVKRAKNH LRSAMVAQLD GTTPVCETIG SHLLNYGRRI SLEEWDSRIS DATA SEQUENCE AVDARMVRDV CSKYIYDKCP ALAAVGPIEQ LLDYNRIRSG MYWI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.594 177.584 0.017 0.000 1.274 1 A CA 0.000 52.045 52.037 0.014 0.000 0.836 1 A CB 0.000 19.008 19.000 0.013 0.000 0.831 2 A N 0.493 123.323 122.820 0.017 0.000 2.351 2 A HA 0.601 4.921 4.320 -0.000 0.000 0.257 2 A C 0.701 178.304 177.584 0.032 0.000 1.087 2 A CA 0.757 52.804 52.037 0.017 0.000 0.798 2 A CB -0.468 18.538 19.000 0.010 0.000 1.033 2 A HN 1.885 nan 8.150 nan 0.000 0.488 3 T N -1.206 113.368 114.554 0.034 0.000 2.902 3 T HA 0.305 4.655 4.350 -0.000 0.000 0.280 3 T C 0.813 175.564 174.700 0.085 0.000 0.992 3 T CA 0.152 62.291 62.100 0.065 0.000 1.015 3 T CB 0.396 69.300 68.868 0.061 0.000 1.044 3 T HN 0.644 nan 8.240 nan 0.000 0.520 4 Y N 1.623 121.927 120.300 0.006 0.000 2.165 4 Y HA -0.047 4.503 4.550 -0.000 0.000 0.286 4 Y C 2.588 178.493 175.900 0.009 0.000 1.155 4 Y CA 1.833 59.938 58.100 0.008 0.000 1.164 4 Y CB -1.123 37.343 38.460 0.011 0.000 0.978 4 Y HN 0.813 nan 8.280 nan 0.000 0.513 5 A N 0.403 123.188 122.820 -0.058 0.000 1.892 5 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 5 A C 2.120 179.615 177.584 -0.148 0.000 1.188 5 A CA 2.329 54.284 52.037 -0.137 0.000 0.631 5 A CB -0.806 18.187 19.000 -0.012 0.000 0.822 5 A HN 0.709 nan 8.150 nan 0.000 0.447 6 Q N -0.906 118.846 119.800 -0.080 0.000 2.062 6 Q HA -0.098 4.242 4.340 -0.000 0.000 0.196 6 Q C 2.290 178.242 176.000 -0.081 0.000 0.967 6 Q CA 1.810 57.574 55.803 -0.066 0.000 0.832 6 Q CB -0.567 28.152 28.738 -0.031 0.000 0.899 6 Q HN 0.862 nan 8.270 nan 0.000 0.442 7 T N 0.104 114.614 114.554 -0.073 0.000 2.822 7 T HA -0.152 4.198 4.350 -0.000 0.000 0.270 7 T C 1.779 176.416 174.700 -0.105 0.000 1.064 7 T CA 0.918 62.980 62.100 -0.063 0.000 1.131 7 T CB -0.277 68.577 68.868 -0.024 0.000 0.858 7 T HN 0.146 nan 8.240 nan 0.000 0.483 8 L N 0.088 121.197 121.223 -0.189 0.000 2.217 8 L HA -0.002 4.338 4.340 -0.000 0.000 0.211 8 L C 2.983 179.769 176.870 -0.139 0.000 1.107 8 L CA 1.147 55.859 54.840 -0.212 0.000 0.783 8 L CB -0.354 41.484 42.059 -0.369 0.000 0.919 8 L HN 0.390 nan 8.230 nan 0.000 0.442 9 Q N -0.552 119.179 119.800 -0.115 0.000 2.165 9 Q HA -0.065 4.275 4.340 -0.000 0.000 0.197 9 Q C 1.309 177.267 176.000 -0.069 0.000 0.952 9 Q CA 0.843 56.595 55.803 -0.085 0.000 0.848 9 Q CB 0.042 28.737 28.738 -0.072 0.000 0.931 9 Q HN 0.358 nan 8.270 nan 0.000 0.470 10 N N 0.530 119.193 118.700 -0.061 0.000 2.627 10 N HA 0.034 4.774 4.740 -0.000 0.000 0.196 10 N C -0.501 174.980 175.510 -0.049 0.000 1.268 10 N CA 0.401 53.422 53.050 -0.048 0.000 0.904 10 N CB 0.045 38.509 38.487 -0.038 0.000 1.016 10 N HN 0.207 nan 8.380 nan 0.000 0.448 11 I N 2.565 123.100 120.570 -0.059 0.000 2.436 11 I HA 0.103 4.273 4.170 -0.000 0.000 0.289 11 I C -1.651 174.431 176.117 -0.059 0.000 1.083 11 I CA -1.863 59.403 61.300 -0.057 0.000 1.372 11 I CB 0.444 38.406 38.000 -0.063 0.000 1.408 11 I HN -0.065 nan 8.210 nan 0.000 0.516 12 P HA -0.072 nan 4.420 nan 0.000 0.263 12 P C -0.264 176.994 177.300 -0.071 0.000 1.168 12 P CA 0.289 63.356 63.100 -0.055 0.000 0.759 12 P CB 0.667 32.339 31.700 -0.046 0.000 0.782 13 E N 1.156 121.310 120.200 -0.077 0.000 2.392 13 E HA 0.157 4.507 4.350 -0.000 0.000 0.256 13 E C -0.316 176.217 176.600 -0.113 0.000 1.145 13 E CA -0.297 56.047 56.400 -0.094 0.000 0.929 13 E CB 0.507 30.153 29.700 -0.091 0.000 0.998 13 E HN 0.347 nan 8.360 nan 0.000 0.442 14 T N 3.331 117.808 114.554 -0.129 0.000 2.749 14 T HA 0.282 4.632 4.350 -0.000 0.000 0.287 14 T C -0.484 174.106 174.700 -0.184 0.000 0.970 14 T CA -0.820 61.191 62.100 -0.148 0.000 0.980 14 T CB 0.414 69.194 68.868 -0.146 0.000 0.924 14 T HN 0.325 nan 8.240 nan 0.000 0.456 15 N N 2.301 120.832 118.700 -0.282 0.000 2.499 15 N HA 0.485 5.225 4.740 -0.000 0.000 0.281 15 N C -0.896 174.403 175.510 -0.352 0.000 1.098 15 N CA -0.336 52.431 53.050 -0.472 0.000 0.979 15 N CB 1.833 39.645 38.487 -1.125 0.000 1.121 15 N HN 0.280 nan 8.380 nan 0.000 0.466 16 V N 1.025 120.828 119.914 -0.185 0.000 2.569 16 V HA 0.442 4.562 4.120 -0.000 0.000 0.301 16 V C -0.281 175.860 176.094 0.078 0.000 1.044 16 V CA -0.818 61.478 62.300 -0.007 0.000 0.874 16 V CB 1.722 33.536 31.823 -0.015 0.000 1.002 16 V HN 0.836 nan 8.190 nan 0.000 0.424 17 T N 0.072 114.731 114.554 0.175 0.000 2.881 17 T HA 0.543 4.893 4.350 -0.000 0.000 0.291 17 T C -0.277 174.478 174.700 0.091 0.000 0.990 17 T CA -0.559 61.627 62.100 0.144 0.000 0.976 17 T CB 1.500 70.488 68.868 0.199 0.000 0.970 17 T HN 0.472 nan 8.240 nan 0.000 0.438 18 T N 4.516 119.106 114.554 0.060 0.000 2.910 18 T HA 0.481 4.831 4.350 -0.000 0.000 0.293 18 T C 0.741 175.463 174.700 0.037 0.000 1.015 18 T CA -0.693 61.432 62.100 0.042 0.000 1.094 18 T CB 0.532 69.419 68.868 0.031 0.000 0.968 18 T HN 0.502 nan 8.240 nan 0.000 0.521 19 L N 1.211 122.452 121.223 0.030 0.000 2.891 19 L HA 0.360 4.700 4.340 -0.000 0.000 0.216 19 L C 1.298 178.180 176.870 0.020 0.000 1.209 19 L CA -0.703 54.155 54.840 0.030 0.000 0.957 19 L CB 0.257 42.340 42.059 0.040 0.000 1.876 19 L HN 0.612 nan 8.230 nan 0.000 0.532 20 D N -0.546 119.863 120.400 0.015 0.000 2.324 20 D HA -0.068 4.572 4.640 -0.000 0.000 0.212 20 D C 1.288 177.585 176.300 -0.005 0.000 0.984 20 D CA 0.582 54.586 54.000 0.007 0.000 0.885 20 D CB -0.067 40.736 40.800 0.004 0.000 0.996 20 D HN 0.479 nan 8.370 nan 0.000 0.505 21 N N 0.559 119.253 118.700 -0.010 0.000 2.515 21 N HA -0.000 4.740 4.740 -0.000 0.000 0.191 21 N C 1.458 176.953 175.510 -0.025 0.000 1.182 21 N CA 0.982 54.016 53.050 -0.028 0.000 0.879 21 N CB 0.273 38.744 38.487 -0.027 0.000 0.984 21 N HN 0.215 nan 8.380 nan 0.000 0.453 22 G N 0.079 108.872 108.800 -0.012 0.000 2.234 22 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.235 22 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.235 22 G C -0.134 174.755 174.900 -0.018 0.000 0.997 22 G CA 0.145 45.239 45.100 -0.010 0.000 0.623 22 G HN 0.474 nan 8.290 nan 0.000 0.514 23 L N 1.229 122.429 121.223 -0.037 0.000 2.485 23 L HA 0.604 4.944 4.340 -0.000 0.000 0.275 23 L C 0.626 177.482 176.870 -0.023 0.000 1.207 23 L CA -0.332 54.467 54.840 -0.067 0.000 0.855 23 L CB 0.385 42.354 42.059 -0.150 0.000 1.114 23 L HN 0.275 nan 8.230 nan 0.000 0.485 24 R N 3.572 124.062 120.500 -0.016 0.000 2.387 24 R HA 0.564 4.904 4.340 -0.000 0.000 0.314 24 R C -1.320 175.007 176.300 0.045 0.000 0.958 24 R CA -0.709 55.405 56.100 0.023 0.000 0.846 24 R CB 1.999 32.314 30.300 0.025 0.000 1.147 24 R HN 0.426 nan 8.270 nan 0.000 0.447 25 V N 2.452 122.416 119.914 0.084 0.000 2.417 25 V HA 0.782 4.902 4.120 -0.000 0.000 0.291 25 V C -0.333 175.872 176.094 0.184 0.000 1.024 25 V CA -0.556 61.820 62.300 0.126 0.000 0.861 25 V CB 1.550 33.444 31.823 0.118 0.000 0.985 25 V HN 0.946 nan 8.190 nan 0.000 0.436 26 A N 3.934 126.843 122.820 0.149 0.000 2.556 26 A HA 1.044 5.364 4.320 -0.000 0.000 0.294 26 A C -0.467 177.167 177.584 0.084 0.000 1.091 26 A CA -0.108 51.989 52.037 0.100 0.000 0.704 26 A CB 2.299 21.304 19.000 0.007 0.000 1.300 26 A HN 1.438 nan 8.150 nan 0.000 0.406 27 S N -0.182 115.534 115.700 0.025 0.000 2.597 27 S HA 0.591 5.061 4.470 -0.000 0.000 0.274 27 S C -1.344 173.232 174.600 -0.041 0.000 1.132 27 S CA -0.515 57.697 58.200 0.019 0.000 0.835 27 S CB 1.336 64.602 63.200 0.109 0.000 1.092 27 S HN 1.140 nan 8.310 nan 0.000 0.457 28 E N 0.549 120.725 120.200 -0.039 0.000 2.220 28 E HA 0.359 4.709 4.350 -0.000 0.000 0.256 28 E C -0.957 175.627 176.600 -0.026 0.000 0.881 28 E CA -0.332 56.036 56.400 -0.054 0.000 0.766 28 E CB 1.339 30.994 29.700 -0.074 0.000 1.187 28 E HN 0.665 nan 8.360 nan 0.000 0.419 29 E N 3.471 123.660 120.200 -0.019 0.000 2.223 29 E HA 0.180 4.530 4.350 -0.000 0.000 0.282 29 E C -0.688 175.905 176.600 -0.013 0.000 1.046 29 E CA -0.232 56.165 56.400 -0.005 0.000 0.857 29 E CB 0.827 30.531 29.700 0.007 0.000 1.055 29 E HN 0.550 nan 8.360 nan 0.000 0.409 30 S N 2.349 118.044 115.700 -0.009 0.000 2.786 30 S HA 0.263 4.733 4.470 -0.000 0.000 0.307 30 S C 0.641 175.237 174.600 -0.007 0.000 1.121 30 S CA -0.575 57.618 58.200 -0.011 0.000 0.975 30 S CB 1.500 64.694 63.200 -0.011 0.000 1.220 30 S HN 0.360 nan 8.310 nan 0.000 0.550 31 S N -0.482 115.213 115.700 -0.007 0.000 2.575 31 S HA 0.182 4.652 4.470 -0.000 0.000 0.215 31 S C 0.325 174.921 174.600 -0.006 0.000 0.966 31 S CA -0.219 57.977 58.200 -0.006 0.000 0.911 31 S CB -0.607 62.589 63.200 -0.007 0.000 0.780 31 S HN 0.647 nan 8.310 nan 0.000 0.514 32 Q N 2.117 121.914 119.800 -0.005 0.000 2.332 32 Q HA 0.156 4.496 4.340 -0.000 0.000 0.263 32 Q C -1.546 174.449 176.000 -0.007 0.000 0.979 32 Q CA -1.769 54.031 55.803 -0.006 0.000 0.885 32 Q CB 0.882 29.617 28.738 -0.005 0.000 1.218 32 Q HN 0.258 nan 8.270 nan 0.000 0.405 33 P HA -0.126 nan 4.420 nan 0.000 0.221 33 P C 0.537 177.825 177.300 -0.018 0.000 1.150 33 P CA 1.094 64.186 63.100 -0.014 0.000 0.800 33 P CB 0.386 32.077 31.700 -0.015 0.000 0.787 34 T N -0.830 113.714 114.554 -0.017 0.000 2.952 34 T HA 0.565 4.915 4.350 -0.000 0.000 0.286 34 T C -0.279 174.414 174.700 -0.011 0.000 1.024 34 T CA -0.450 61.637 62.100 -0.022 0.000 1.029 34 T CB 0.993 69.845 68.868 -0.027 0.000 1.094 34 T HN 0.339 nan 8.240 nan 0.000 0.515 35 C N 0.368 119.664 119.300 -0.007 0.000 3.284 35 C HA 0.898 5.358 4.460 -0.000 0.000 0.348 35 C C -0.983 174.026 174.990 0.031 0.000 1.448 35 C CA -0.682 58.342 59.018 0.011 0.000 1.223 35 C CB 1.007 28.754 27.740 0.011 0.000 1.588 35 C HN 0.886 nan 8.230 nan 0.000 0.451 36 T N 1.178 115.767 114.554 0.058 0.000 3.032 36 T HA 0.714 5.064 4.350 -0.000 0.000 0.312 36 T C -0.737 174.048 174.700 0.142 0.000 1.078 36 T CA -0.276 61.891 62.100 0.111 0.000 1.028 36 T CB 1.352 70.296 68.868 0.127 0.000 1.091 36 T HN 2.113 nan 8.240 nan 0.000 0.457 37 V N -0.077 119.942 119.914 0.176 0.000 2.888 37 V HA 1.101 5.221 4.120 -0.000 0.000 0.309 37 V C -0.331 175.925 176.094 0.270 0.000 1.114 37 V CA -0.382 62.046 62.300 0.214 0.000 0.940 37 V CB 1.617 33.518 31.823 0.130 0.000 1.021 37 V HN 1.253 nan 8.190 nan 0.000 0.426 38 G N 0.829 109.858 108.800 0.382 0.000 2.550 38 G HA2 0.621 4.580 3.960 -0.000 0.000 0.293 38 G HA3 0.621 4.580 3.960 -0.000 0.000 0.293 38 G C -1.747 173.339 174.900 0.310 0.000 1.402 38 G CA -0.105 45.165 45.100 0.283 0.000 0.784 38 G HN 1.765 nan 8.290 nan 0.000 0.482 39 V N 0.984 120.962 119.914 0.108 0.000 2.378 39 V HA 0.648 4.768 4.120 -0.000 0.000 0.288 39 V C -0.995 175.056 176.094 -0.072 0.000 1.016 39 V CA -0.955 61.418 62.300 0.122 0.000 0.840 39 V CB 0.926 32.786 31.823 0.062 0.000 0.994 39 V HN 0.625 nan 8.190 nan 0.000 0.431 40 W N 7.674 128.976 121.300 0.003 0.000 2.316 40 W HA 0.519 5.179 4.660 0.000 0.000 0.308 40 W C -0.371 176.126 176.519 -0.036 0.000 1.106 40 W CA -0.498 56.828 57.345 -0.031 0.000 1.262 40 W CB 1.539 30.994 29.460 -0.008 0.000 1.233 40 W HN 0.476 nan 8.180 nan 0.000 0.447 41 I N 2.283 122.872 120.570 0.032 0.000 2.460 41 I HA 0.309 4.479 4.170 -0.000 0.000 0.298 41 I C 1.151 177.306 176.117 0.064 0.000 0.989 41 I CA -0.687 60.640 61.300 0.045 0.000 1.173 41 I CB 1.472 39.494 38.000 0.037 0.000 1.338 41 I HN 0.438 nan 8.210 nan 0.000 0.456 42 G N 4.647 113.463 108.800 0.026 0.000 3.458 42 G HA2 0.545 4.505 3.960 -0.000 0.000 0.256 42 G HA3 0.545 4.505 3.960 -0.000 0.000 0.256 42 G C -0.057 174.649 174.900 -0.323 0.000 0.938 42 G CA -0.050 45.042 45.100 -0.013 0.000 1.890 42 G HN 0.727 nan 8.290 nan 0.000 0.639 43 A N -0.179 122.505 122.820 -0.226 0.000 2.515 43 A HA 1.054 5.374 4.320 -0.000 0.000 0.296 43 A C 0.138 177.739 177.584 0.028 0.000 1.094 43 A CA -0.164 51.599 52.037 -0.457 0.000 0.718 43 A CB 1.982 20.851 19.000 -0.218 0.000 1.307 43 A HN 1.544 nan 8.150 nan 0.000 0.408 44 G N -1.081 107.828 108.800 0.181 0.000 2.340 44 G HA2 0.521 4.481 3.960 -0.000 0.000 0.299 44 G HA3 0.521 4.481 3.960 -0.000 0.000 0.299 44 G C 0.699 175.749 174.900 0.250 0.000 1.291 44 G CA 0.713 45.972 45.100 0.265 0.000 0.841 44 G HN 1.752 nan 8.290 nan 0.000 0.500 45 S N -0.494 115.290 115.700 0.141 0.000 2.419 45 S HA -0.149 4.321 4.470 -0.000 0.000 0.233 45 S C 2.044 176.665 174.600 0.036 0.000 1.016 45 S CA 1.672 59.921 58.200 0.081 0.000 0.974 45 S CB -0.219 62.987 63.200 0.011 0.000 0.786 45 S HN 0.701 nan 8.310 nan 0.000 0.492 46 R N -0.040 120.447 120.500 -0.022 0.000 2.120 46 R HA -0.071 4.269 4.340 -0.000 0.000 0.234 46 R C 1.400 177.577 176.300 -0.206 0.000 1.123 46 R CA 1.410 57.405 56.100 -0.175 0.000 0.975 46 R CB -0.359 29.735 30.300 -0.343 0.000 0.866 46 R HN 0.572 nan 8.270 nan 0.000 0.446 47 Y N 0.847 121.094 120.300 -0.089 0.000 2.561 47 Y HA 0.077 4.627 4.550 -0.000 0.000 0.291 47 Y C 0.533 176.405 175.900 -0.047 0.000 1.141 47 Y CA 0.266 58.292 58.100 -0.123 0.000 1.303 47 Y CB 0.069 38.300 38.460 -0.383 0.000 1.015 47 Y HN 0.106 nan 8.280 nan 0.000 0.547 48 E N 1.049 121.331 120.200 0.136 0.000 2.376 48 E HA 0.060 4.410 4.350 -0.000 0.000 0.254 48 E C 0.072 176.732 176.600 0.101 0.000 1.213 48 E CA -0.404 56.095 56.400 0.165 0.000 0.945 48 E CB 0.382 30.178 29.700 0.160 0.000 1.057 48 E HN 0.224 nan 8.360 nan 0.000 0.479 49 N N -0.080 118.682 118.700 0.103 0.000 2.890 49 N HA -0.011 4.729 4.740 -0.000 0.000 0.317 49 N C 0.485 176.031 175.510 0.060 0.000 1.355 49 N CA -0.492 52.599 53.050 0.068 0.000 0.803 49 N CB 1.153 39.681 38.487 0.068 0.000 1.465 49 N HN 0.531 nan 8.380 nan 0.000 0.591 50 E N 0.038 120.266 120.200 0.047 0.000 2.265 50 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 50 E C 0.465 177.095 176.600 0.050 0.000 0.996 50 E CA 1.142 57.569 56.400 0.043 0.000 0.832 50 E CB 0.151 29.872 29.700 0.035 0.000 0.756 50 E HN 0.550 nan 8.360 nan 0.000 0.491 51 K N 0.043 120.476 120.400 0.054 0.000 2.354 51 K HA 0.016 4.336 4.320 -0.000 0.000 0.194 51 K C 1.094 177.735 176.600 0.067 0.000 1.038 51 K CA 0.570 56.891 56.287 0.057 0.000 1.052 51 K CB 0.333 32.860 32.500 0.045 0.000 0.861 51 K HN 0.058 nan 8.250 nan 0.000 0.535 52 N N -0.094 118.655 118.700 0.081 0.000 2.177 52 N HA -0.068 4.672 4.740 -0.000 0.000 0.218 52 N C -0.538 175.031 175.510 0.098 0.000 1.182 52 N CA -0.260 52.847 53.050 0.096 0.000 0.882 52 N CB -0.381 38.189 38.487 0.138 0.000 1.052 52 N HN 0.018 nan 8.380 nan 0.000 0.519 53 N N 0.774 119.524 118.700 0.083 0.000 2.315 53 N HA 0.118 4.858 4.740 -0.000 0.000 0.270 53 N C 0.586 176.132 175.510 0.060 0.000 1.329 53 N CA 1.272 54.362 53.050 0.066 0.000 0.860 53 N CB -0.083 38.432 38.487 0.046 0.000 1.095 53 N HN 0.516 nan 8.380 nan 0.000 0.487 54 G N 1.932 110.765 108.800 0.054 0.000 2.179 54 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.220 54 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.220 54 G C 0.785 175.747 174.900 0.104 0.000 0.990 54 G CA 0.342 45.488 45.100 0.077 0.000 0.646 54 G HN 0.812 nan 8.290 nan 0.000 0.517 55 A N 0.643 123.457 122.820 -0.010 0.000 1.855 55 A HA 0.363 4.683 4.320 -0.000 0.000 0.215 55 A C 2.813 180.131 177.584 -0.442 0.000 1.191 55 A CA 2.316 54.258 52.037 -0.158 0.000 0.613 55 A CB -1.118 17.765 19.000 -0.195 0.000 0.829 55 A HN 1.614 nan 8.150 nan 0.000 0.442 56 G N -2.118 106.192 108.800 -0.816 0.000 2.499 56 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.221 56 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.221 56 G C 1.473 176.325 174.900 -0.079 0.000 1.109 56 G CA 1.419 46.069 45.100 -0.750 0.000 0.749 56 G HN 0.573 nan 8.290 nan 0.000 0.568 57 Y N -0.327 119.916 120.300 -0.094 0.000 2.301 57 Y HA 0.264 4.814 4.550 -0.000 0.000 0.295 57 Y C 2.221 178.183 175.900 0.105 0.000 1.119 57 Y CA 0.211 58.327 58.100 0.027 0.000 1.162 57 Y CB -0.333 38.127 38.460 0.001 0.000 1.046 57 Y HN 0.178 nan 8.280 nan 0.000 0.538 58 F N -0.910 119.007 119.950 -0.055 0.000 2.250 58 F HA -0.234 4.293 4.527 -0.000 0.000 0.301 58 F C 2.030 177.764 175.800 -0.110 0.000 1.077 58 F CA 1.018 58.930 58.000 -0.147 0.000 1.348 58 F CB 0.051 38.977 39.000 -0.124 0.000 1.040 58 F HN -0.097 nan 8.300 nan 0.000 0.509 59 V N -0.179 119.811 119.914 0.127 0.000 2.407 59 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 59 V C 2.208 178.346 176.094 0.073 0.000 1.041 59 V CA 2.024 64.368 62.300 0.074 0.000 1.040 59 V CB -0.456 31.392 31.823 0.042 0.000 0.671 59 V HN 0.322 nan 8.190 nan 0.000 0.455 60 E N -0.708 119.540 120.200 0.081 0.000 2.209 60 E HA -0.270 4.080 4.350 -0.000 0.000 0.196 60 E C 2.040 178.538 176.600 -0.169 0.000 0.993 60 E CA 1.280 57.684 56.400 0.007 0.000 0.819 60 E CB -0.101 29.552 29.700 -0.079 0.000 0.745 60 E HN 0.711 nan 8.360 nan 0.000 0.477 61 H N -0.748 118.188 119.070 -0.224 0.000 2.502 61 H HA 0.015 4.571 4.556 -0.000 0.000 0.283 61 H C 1.881 177.141 175.328 -0.114 0.000 1.015 61 H CA 0.778 56.706 56.048 -0.199 0.000 1.298 61 H CB 0.476 30.082 29.762 -0.259 0.000 1.411 61 H HN 0.238 nan 8.280 nan 0.000 0.556 62 L N -0.635 120.589 121.223 0.002 0.000 2.515 62 L HA 0.183 4.523 4.340 -0.000 0.000 0.223 62 L C 2.704 179.452 176.870 -0.203 0.000 1.079 62 L CA 0.327 55.141 54.840 -0.044 0.000 0.857 62 L CB -0.033 42.029 42.059 0.005 0.000 1.050 62 L HN 0.088 nan 8.230 nan 0.000 0.476 63 A N 0.675 123.278 122.820 -0.362 0.000 2.009 63 A HA -0.235 4.085 4.320 -0.000 0.000 0.222 63 A C 1.873 179.017 177.584 -0.734 0.000 1.175 63 A CA 1.897 53.515 52.037 -0.698 0.000 0.651 63 A CB -0.742 17.596 19.000 -1.104 0.000 0.815 63 A HN 0.475 nan 8.150 nan 0.000 0.459 64 F N -1.417 118.345 119.950 -0.313 0.000 2.695 64 F HA 0.140 4.667 4.527 -0.000 0.000 0.303 64 F C 1.032 176.758 175.800 -0.122 0.000 1.091 64 F CA -0.219 57.633 58.000 -0.247 0.000 1.300 64 F CB 0.540 39.435 39.000 -0.175 0.000 1.071 64 F HN -0.089 nan 8.300 nan 0.000 0.578 65 K N 1.491 121.890 120.400 -0.001 0.000 2.745 65 K HA 0.312 4.632 4.320 -0.000 0.000 0.223 65 K C 0.575 177.149 176.600 -0.044 0.000 1.057 65 K CA 0.189 56.489 56.287 0.023 0.000 1.217 65 K CB -0.569 31.942 32.500 0.018 0.000 0.993 65 K HN 0.285 nan 8.250 nan 0.000 0.478 66 G N 0.892 109.583 108.800 -0.182 0.000 2.719 66 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.686 66 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.686 66 G C -0.098 174.638 174.900 -0.274 0.000 1.201 66 G CA -0.343 44.612 45.100 -0.242 0.000 0.768 66 G HN 0.287 nan 8.290 nan 0.000 0.629 67 T N -1.441 112.957 114.554 -0.260 0.000 2.870 67 T HA 0.703 5.053 4.350 -0.000 0.000 0.277 67 T C 1.444 176.097 174.700 -0.078 0.000 1.000 67 T CA 0.216 62.210 62.100 -0.176 0.000 0.982 67 T CB 1.809 70.573 68.868 -0.173 0.000 1.249 67 T HN 0.646 nan 8.240 nan 0.000 0.589 68 K N -0.078 120.291 120.400 -0.052 0.000 2.031 68 K HA 0.043 4.363 4.320 -0.000 0.000 0.205 68 K C 2.316 178.913 176.600 -0.005 0.000 1.049 68 K CA 0.808 57.081 56.287 -0.023 0.000 0.939 68 K CB -0.158 32.331 32.500 -0.018 0.000 0.717 68 K HN 0.534 nan 8.250 nan 0.000 0.438 69 K N 1.419 121.819 120.400 0.001 0.000 2.280 69 K HA -0.137 4.183 4.320 -0.000 0.000 0.202 69 K C 0.009 176.629 176.600 0.033 0.000 1.047 69 K CA 0.887 57.185 56.287 0.018 0.000 0.942 69 K CB 0.215 32.730 32.500 0.025 0.000 0.739 69 K HN 0.120 nan 8.250 nan 0.000 0.457 70 R N -0.067 120.456 120.500 0.039 0.000 2.867 70 R HA 0.255 4.595 4.340 -0.000 0.000 0.288 70 R C -3.098 173.247 176.300 0.076 0.000 1.360 70 R CA -1.486 54.657 56.100 0.071 0.000 1.042 70 R CB 1.037 31.409 30.300 0.120 0.000 1.287 70 R HN -0.174 nan 8.270 nan 0.000 0.404 71 P HA -0.111 nan 4.420 nan 0.000 0.272 71 P C 0.849 178.207 177.300 0.097 0.000 1.243 71 P CA -0.334 62.795 63.100 0.048 0.000 0.803 71 P CB 0.689 32.410 31.700 0.035 0.000 0.974 72 C N 1.170 120.519 119.300 0.080 0.000 2.323 72 C HA -0.291 4.169 4.460 -0.000 0.000 0.276 72 C C 3.000 178.075 174.990 0.143 0.000 1.151 72 C CA 3.143 62.232 59.018 0.118 0.000 1.789 72 C CB -1.911 25.873 27.740 0.074 0.000 1.921 72 C HN 0.713 nan 8.230 nan 0.000 0.417 73 A N 0.331 123.203 122.820 0.087 0.000 1.894 73 A HA -0.202 4.118 4.320 -0.000 0.000 0.220 73 A C 2.453 180.079 177.584 0.069 0.000 1.237 73 A CA 3.875 55.950 52.037 0.064 0.000 0.660 73 A CB -1.553 17.473 19.000 0.042 0.000 0.835 73 A HN 1.215 nan 8.150 nan 0.000 0.461 74 A N -1.414 121.455 122.820 0.082 0.000 1.859 74 A HA -0.085 4.235 4.320 -0.000 0.000 0.217 74 A C 2.083 179.727 177.584 0.100 0.000 1.198 74 A CA 1.972 54.056 52.037 0.078 0.000 0.629 74 A CB -0.930 18.121 19.000 0.085 0.000 0.830 74 A HN 0.841 nan 8.150 nan 0.000 0.446 75 F N 1.021 120.985 119.950 0.022 0.000 2.025 75 F HA -0.241 4.286 4.527 -0.000 0.000 0.297 75 F C 2.302 178.124 175.800 0.038 0.000 1.132 75 F CA 2.444 60.466 58.000 0.037 0.000 1.191 75 F CB -0.680 38.352 39.000 0.054 0.000 0.963 75 F HN 0.429 nan 8.300 nan 0.000 0.481 76 E N 0.104 120.290 120.200 -0.025 0.000 2.033 76 E HA -0.325 4.025 4.350 -0.000 0.000 0.199 76 E C 2.276 178.784 176.600 -0.154 0.000 1.011 76 E CA 1.796 58.116 56.400 -0.133 0.000 0.815 76 E CB -0.447 29.259 29.700 0.010 0.000 0.755 76 E HN 0.406 nan 8.360 nan 0.000 0.451 77 K N 1.126 121.482 120.400 -0.073 0.000 2.074 77 K HA -0.282 4.038 4.320 -0.000 0.000 0.209 77 K C 2.191 178.735 176.600 -0.093 0.000 1.048 77 K CA 1.870 58.120 56.287 -0.063 0.000 0.926 77 K CB -0.057 32.427 32.500 -0.027 0.000 0.713 77 K HN 0.097 nan 8.250 nan 0.000 0.444 78 E N -0.056 120.075 120.200 -0.116 0.000 2.110 78 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 78 E C 1.740 178.234 176.600 -0.177 0.000 0.988 78 E CA 1.395 57.720 56.400 -0.125 0.000 0.804 78 E CB 0.158 29.794 29.700 -0.106 0.000 0.745 78 E HN 0.191 nan 8.360 nan 0.000 0.458 79 V N 1.033 120.780 119.914 -0.279 0.000 2.323 79 V HA -0.189 3.931 4.120 -0.000 0.000 0.244 79 V C 2.133 178.128 176.094 -0.164 0.000 1.041 79 V CA 2.006 64.142 62.300 -0.274 0.000 1.025 79 V CB -0.629 30.956 31.823 -0.397 0.000 0.656 79 V HN 0.251 nan 8.190 nan 0.000 0.451 80 E N 1.332 121.449 120.200 -0.138 0.000 2.033 80 E HA -0.238 4.112 4.350 -0.000 0.000 0.199 80 E C 2.341 178.902 176.600 -0.065 0.000 1.011 80 E CA 2.002 58.355 56.400 -0.077 0.000 0.815 80 E CB -0.385 29.277 29.700 -0.064 0.000 0.755 80 E HN 0.716 nan 8.360 nan 0.000 0.451 81 S N 1.203 116.862 115.700 -0.069 0.000 2.441 81 S HA -0.226 4.244 4.470 -0.000 0.000 0.242 81 S C 1.922 176.487 174.600 -0.060 0.000 1.018 81 S CA 1.654 59.820 58.200 -0.056 0.000 0.988 81 S CB -0.612 62.557 63.200 -0.053 0.000 0.778 81 S HN 0.389 nan 8.310 nan 0.000 0.498 82 M N -1.151 118.403 119.600 -0.076 0.000 2.419 82 M HA 0.559 5.039 4.480 -0.000 0.000 0.252 82 M C 1.293 177.543 176.300 -0.084 0.000 1.143 82 M CA 0.307 55.560 55.300 -0.078 0.000 0.985 82 M CB -0.136 32.409 32.600 -0.091 0.000 1.489 82 M HN 0.286 nan 8.290 nan 0.000 0.484 83 G N 1.390 110.145 108.800 -0.075 0.000 2.166 83 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.260 83 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.260 83 G C 0.196 175.012 174.900 -0.142 0.000 0.986 83 G CA 0.323 45.373 45.100 -0.084 0.000 0.683 83 G HN 0.961 nan 8.290 nan 0.000 0.527 84 A N -0.285 122.463 122.820 -0.120 0.000 2.316 84 A HA 0.707 5.027 4.320 -0.000 0.000 0.284 84 A C 0.033 177.610 177.584 -0.012 0.000 1.115 84 A CA -0.315 51.639 52.037 -0.138 0.000 0.812 84 A CB 0.462 19.372 19.000 -0.150 0.000 1.064 84 A HN 0.578 nan 8.150 nan 0.000 0.489 85 H N 0.614 119.643 119.070 -0.068 0.000 2.504 85 H HA 0.397 4.953 4.556 -0.000 0.000 0.322 85 H C -1.539 173.767 175.328 -0.036 0.000 1.055 85 H CA -0.397 55.626 56.048 -0.042 0.000 1.231 85 H CB 1.263 31.031 29.762 0.010 0.000 1.417 85 H HN 0.536 nan 8.280 nan 0.000 0.472 86 F N 3.244 123.104 119.950 -0.151 0.000 2.427 86 F HA 0.332 4.859 4.527 -0.000 0.000 0.346 86 F C -0.287 175.209 175.800 -0.507 0.000 1.120 86 F CA -0.901 56.896 58.000 -0.339 0.000 1.033 86 F CB 1.046 39.739 39.000 -0.511 0.000 1.126 86 F HN 0.604 nan 8.300 nan 0.000 0.462 87 N N 1.950 120.648 118.700 -0.004 0.000 2.934 87 N HA 0.802 5.542 4.740 -0.000 0.000 0.253 87 N C -1.006 174.284 175.510 -0.367 0.000 1.466 87 N CA -0.162 52.739 53.050 -0.248 0.000 0.858 87 N CB 2.255 40.587 38.487 -0.258 0.000 1.459 87 N HN 0.841 nan 8.380 nan 0.000 0.532 88 G N -0.905 107.760 108.800 -0.224 0.000 2.349 88 G HA2 0.452 4.412 3.960 -0.000 0.000 0.294 88 G HA3 0.452 4.412 3.960 -0.000 0.000 0.294 88 G C -2.234 172.578 174.900 -0.148 0.000 1.380 88 G CA -0.191 44.704 45.100 -0.341 0.000 0.811 88 G HN 0.812 nan 8.290 nan 0.000 0.519 89 Y N -2.681 117.425 120.300 -0.323 0.000 2.905 89 Y HA 0.876 5.426 4.550 -0.000 0.000 0.322 89 Y C -0.657 175.107 175.900 -0.226 0.000 1.455 89 Y CA -1.005 56.987 58.100 -0.180 0.000 1.083 89 Y CB 1.508 39.955 38.460 -0.021 0.000 1.473 89 Y HN 1.106 nan 8.280 nan 0.000 0.449 90 T N 1.339 116.116 114.554 0.372 0.000 3.705 90 T HA 0.517 4.867 4.350 -0.000 0.000 0.342 90 T C -0.942 173.919 174.700 0.269 0.000 1.043 90 T CA 0.057 62.313 62.100 0.260 0.000 1.071 90 T CB 0.188 69.149 68.868 0.154 0.000 1.124 90 T HN 1.355 nan 8.240 nan 0.000 0.467 91 S N 4.566 120.428 115.700 0.271 0.000 2.561 91 S HA 0.573 5.043 4.470 -0.000 0.000 0.282 91 S C 1.412 176.085 174.600 0.122 0.000 1.123 91 S CA -0.828 57.467 58.200 0.158 0.000 1.011 91 S CB 0.932 64.240 63.200 0.179 0.000 1.244 91 S HN 0.725 nan 8.310 nan 0.000 0.503 92 R N 0.380 120.922 120.500 0.069 0.000 2.073 92 R HA 0.150 4.489 4.340 -0.000 0.000 0.229 92 R C 1.064 177.386 176.300 0.036 0.000 1.120 92 R CA 1.320 57.408 56.100 -0.020 0.000 0.967 92 R CB -0.205 29.980 30.300 -0.190 0.000 0.862 92 R HN 0.691 nan 8.270 nan 0.000 0.436 93 E N -0.105 120.165 120.200 0.117 0.000 2.734 93 E HA 0.100 4.450 4.350 -0.000 0.000 0.211 93 E C -0.737 176.057 176.600 0.323 0.000 0.991 93 E CA -0.087 56.461 56.400 0.247 0.000 1.065 93 E CB 0.985 30.794 29.700 0.182 0.000 1.047 93 E HN 0.096 nan 8.360 nan 0.000 0.470 94 Q N 0.394 120.365 119.800 0.284 0.000 2.430 94 Q HA 0.199 4.539 4.340 -0.000 0.000 0.253 94 Q C -1.533 174.606 176.000 0.232 0.000 0.945 94 Q CA -0.226 55.739 55.803 0.270 0.000 0.964 94 Q CB 1.792 30.742 28.738 0.354 0.000 1.460 94 Q HN -0.016 nan 8.270 nan 0.000 0.428 95 T N 1.273 115.865 114.554 0.063 0.000 2.942 95 T HA 0.989 5.339 4.350 -0.000 0.000 0.289 95 T C -1.209 173.153 174.700 -0.564 0.000 1.044 95 T CA -0.191 61.798 62.100 -0.185 0.000 1.023 95 T CB 1.695 70.524 68.868 -0.066 0.000 1.123 95 T HN 0.705 nan 8.240 nan 0.000 0.512 96 A N 1.467 123.622 122.820 -1.108 0.000 2.555 96 A HA 0.710 5.030 4.320 -0.000 0.000 0.297 96 A C -2.015 174.806 177.584 -1.272 0.000 1.060 96 A CA -0.783 50.498 52.037 -1.261 0.000 0.710 96 A CB 0.880 18.833 19.000 -1.744 0.000 1.282 96 A HN 0.654 nan 8.150 nan 0.000 0.399 97 F N 1.998 121.649 119.950 -0.498 0.000 2.536 97 F HA 0.664 5.191 4.527 0.000 0.000 0.322 97 F C -0.267 175.517 175.800 -0.026 0.000 1.144 97 F CA -0.370 57.512 58.000 -0.197 0.000 0.924 97 F CB 1.846 40.781 39.000 -0.107 0.000 1.181 97 F HN 0.681 nan 8.300 nan 0.000 0.438 98 Y N 1.055 121.508 120.300 0.255 0.000 2.609 98 Y HA 0.907 5.457 4.550 -0.000 0.000 0.342 98 Y C -1.555 174.438 175.900 0.154 0.000 1.058 98 Y CA -2.044 56.123 58.100 0.113 0.000 1.055 98 Y CB 1.475 39.907 38.460 -0.046 0.000 1.292 98 Y HN 0.398 nan 8.280 nan 0.000 0.476 99 I N 1.798 122.458 120.570 0.150 0.000 2.730 99 I HA 0.439 4.609 4.170 -0.000 0.000 0.298 99 I C -1.121 175.059 176.117 0.105 0.000 1.089 99 I CA -1.224 60.052 61.300 -0.039 0.000 1.041 99 I CB 2.598 40.354 38.000 -0.407 0.000 1.235 99 I HN 0.580 nan 8.210 nan 0.000 0.423 100 K N 4.462 124.916 120.400 0.091 0.000 2.339 100 K HA 0.825 5.145 4.320 -0.000 0.000 0.264 100 K C -0.813 175.745 176.600 -0.069 0.000 0.986 100 K CA -0.320 56.002 56.287 0.059 0.000 0.866 100 K CB 2.265 34.834 32.500 0.116 0.000 1.103 100 K HN 0.742 nan 8.250 nan 0.000 0.441 101 A N 2.966 125.745 122.820 -0.069 0.000 2.534 101 A HA 0.591 4.910 4.320 -0.000 0.000 0.300 101 A C -1.370 176.171 177.584 -0.073 0.000 1.223 101 A CA -0.866 51.111 52.037 -0.101 0.000 0.666 101 A CB 0.649 19.586 19.000 -0.105 0.000 1.316 101 A HN 0.560 nan 8.150 nan 0.000 0.468 102 L N 1.012 122.192 121.223 -0.072 0.000 2.397 102 L HA 0.241 4.581 4.340 -0.000 0.000 0.271 102 L C 1.415 178.262 176.870 -0.039 0.000 1.148 102 L CA -0.364 54.445 54.840 -0.052 0.000 0.825 102 L CB 1.124 43.153 42.059 -0.051 0.000 1.117 102 L HN 0.802 nan 8.230 nan 0.000 0.456 103 S N 0.951 116.635 115.700 -0.026 0.000 2.441 103 S HA -0.227 4.243 4.470 -0.000 0.000 0.242 103 S C 1.800 176.388 174.600 -0.020 0.000 1.018 103 S CA 1.453 59.643 58.200 -0.017 0.000 0.988 103 S CB -0.243 62.951 63.200 -0.011 0.000 0.778 103 S HN 0.654 nan 8.310 nan 0.000 0.498 104 K N 1.420 121.805 120.400 -0.026 0.000 2.026 104 K HA -0.147 4.173 4.320 -0.000 0.000 0.208 104 K C 0.794 177.375 176.600 -0.032 0.000 1.048 104 K CA 1.710 57.981 56.287 -0.027 0.000 0.929 104 K CB -0.142 32.341 32.500 -0.029 0.000 0.713 104 K HN 0.232 nan 8.250 nan 0.000 0.439 105 D N 1.218 121.592 120.400 -0.043 0.000 2.363 105 D HA -0.127 4.513 4.640 -0.000 0.000 0.226 105 D C 1.683 177.949 176.300 -0.057 0.000 1.020 105 D CA 0.193 54.160 54.000 -0.055 0.000 0.892 105 D CB 0.003 40.760 40.800 -0.071 0.000 0.900 105 D HN 0.311 nan 8.370 nan 0.000 0.531 106 M N 2.002 121.577 119.600 -0.041 0.000 2.124 106 M HA -0.178 4.302 4.480 -0.000 0.000 0.253 106 M C -1.195 175.078 176.300 -0.044 0.000 1.077 106 M CA 2.059 57.340 55.300 -0.032 0.000 1.085 106 M CB -1.362 31.231 32.600 -0.012 0.000 1.320 106 M HN -0.006 nan 8.290 nan 0.000 0.404 107 P HA -0.142 nan 4.420 nan 0.000 0.215 107 P C 1.297 178.531 177.300 -0.110 0.000 1.157 107 P CA 1.679 64.749 63.100 -0.051 0.000 0.856 107 P CB -0.361 31.329 31.700 -0.016 0.000 0.786 108 K N 0.498 120.840 120.400 -0.096 0.000 2.147 108 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 108 K C 1.905 178.409 176.600 -0.160 0.000 1.049 108 K CA 1.095 57.309 56.287 -0.122 0.000 0.936 108 K CB -1.012 31.436 32.500 -0.086 0.000 0.722 108 K HN -0.123 nan 8.250 nan 0.000 0.446 109 V N 0.084 119.913 119.914 -0.143 0.000 2.223 109 V HA -0.251 3.869 4.120 -0.000 0.000 0.244 109 V C 2.225 178.213 176.094 -0.177 0.000 1.045 109 V CA 1.853 64.056 62.300 -0.161 0.000 1.000 109 V CB -0.557 31.189 31.823 -0.129 0.000 0.635 109 V HN 0.170 nan 8.190 nan 0.000 0.445 110 V N 0.149 119.965 119.914 -0.164 0.000 2.363 110 V HA -0.379 3.741 4.120 -0.000 0.000 0.254 110 V C 2.480 178.335 176.094 -0.399 0.000 1.074 110 V CA 2.527 64.708 62.300 -0.197 0.000 1.069 110 V CB -0.744 30.981 31.823 -0.163 0.000 0.659 110 V HN 0.702 nan 8.190 nan 0.000 0.455 111 E N -0.210 119.652 120.200 -0.563 0.000 2.072 111 E HA -0.181 4.169 4.350 -0.000 0.000 0.191 111 E C 2.251 178.671 176.600 -0.299 0.000 0.985 111 E CA 1.146 57.090 56.400 -0.760 0.000 0.801 111 E CB -0.071 29.203 29.700 -0.709 0.000 0.750 111 E HN 0.601 nan 8.360 nan 0.000 0.452 112 L N 0.667 121.795 121.223 -0.158 0.000 2.017 112 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 112 L C 2.606 179.530 176.870 0.090 0.000 1.073 112 L CA 0.850 55.712 54.840 0.037 0.000 0.745 112 L CB -0.481 41.602 42.059 0.039 0.000 0.894 112 L HN 0.235 nan 8.230 nan 0.000 0.432 113 L N -0.193 121.040 121.223 0.017 0.000 1.933 113 L HA -0.288 4.052 4.340 -0.000 0.000 0.220 113 L C 2.915 179.854 176.870 0.114 0.000 1.078 113 L CA 1.546 56.458 54.840 0.121 0.000 0.773 113 L CB -0.986 41.155 42.059 0.136 0.000 0.890 113 L HN 0.272 nan 8.230 nan 0.000 0.434 114 A N -0.224 122.620 122.820 0.039 0.000 1.971 114 A HA -0.366 3.954 4.320 -0.000 0.000 0.222 114 A C 1.931 179.544 177.584 0.047 0.000 1.182 114 A CA 2.555 54.626 52.037 0.055 0.000 0.649 114 A CB -0.912 17.767 19.000 -0.536 0.000 0.818 114 A HN 0.580 nan 8.150 nan 0.000 0.458 115 D N -1.103 119.293 120.400 -0.007 0.000 2.178 115 D HA -0.063 4.577 4.640 -0.000 0.000 0.202 115 D C 1.756 178.026 176.300 -0.050 0.000 0.974 115 D CA 1.292 55.288 54.000 -0.006 0.000 0.841 115 D CB 0.032 40.841 40.800 0.015 0.000 0.953 115 D HN 0.221 nan 8.370 nan 0.000 0.478 116 V N 0.295 120.173 119.914 -0.060 0.000 2.302 116 V HA -0.158 3.962 4.120 -0.000 0.000 0.243 116 V C 2.720 178.654 176.094 -0.266 0.000 1.036 116 V CA 1.488 63.659 62.300 -0.214 0.000 1.020 116 V CB -0.698 30.996 31.823 -0.215 0.000 0.657 116 V HN 0.293 nan 8.190 nan 0.000 0.453 117 V N -1.256 118.524 119.914 -0.223 0.000 2.427 117 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 117 V C 2.045 178.134 176.094 -0.009 0.000 1.051 117 V CA 2.020 64.176 62.300 -0.240 0.000 1.048 117 V CB -0.821 30.872 31.823 -0.215 0.000 0.666 117 V HN 0.562 nan 8.190 nan 0.000 0.456 118 Q N 0.269 120.090 119.800 0.036 0.000 2.259 118 Q HA 0.156 4.496 4.340 -0.000 0.000 0.201 118 Q C 0.995 177.014 176.000 0.032 0.000 0.938 118 Q CA 0.944 56.790 55.803 0.071 0.000 0.872 118 Q CB 0.120 28.923 28.738 0.108 0.000 0.971 118 Q HN 0.639 nan 8.270 nan 0.000 0.494 119 N N 0.166 118.859 118.700 -0.011 0.000 2.401 119 N HA 0.095 4.835 4.740 -0.000 0.000 0.264 119 N C -0.880 174.585 175.510 -0.074 0.000 1.238 119 N CA -0.076 52.955 53.050 -0.032 0.000 0.889 119 N CB 0.677 39.148 38.487 -0.027 0.000 1.196 119 N HN 0.130 nan 8.380 nan 0.000 0.511 120 C N 1.220 120.468 119.300 -0.086 0.000 2.523 120 C HA 0.120 4.580 4.460 -0.000 0.000 0.406 120 C C 2.194 177.129 174.990 -0.093 0.000 1.449 120 C CA -0.090 58.853 59.018 -0.126 0.000 1.588 120 C CB -0.636 27.040 27.740 -0.106 0.000 2.514 120 C HN 0.621 nan 8.230 nan 0.000 0.606 121 A N 5.330 128.085 122.820 -0.109 0.000 1.883 121 A HA 0.021 4.340 4.320 -0.000 0.000 0.217 121 A C 1.474 179.023 177.584 -0.057 0.000 1.186 121 A CA 1.609 53.602 52.037 -0.074 0.000 0.624 121 A CB -0.649 18.308 19.000 -0.072 0.000 0.822 121 A HN 1.354 nan 8.150 nan 0.000 0.444 122 L N -0.998 120.187 121.223 -0.063 0.000 3.597 122 L HA -0.180 4.160 4.340 -0.000 0.000 0.440 122 L C -0.035 176.809 176.870 -0.043 0.000 1.277 122 L CA 0.108 54.915 54.840 -0.055 0.000 0.852 122 L CB -1.907 40.115 42.059 -0.062 0.000 1.708 122 L HN 0.582 nan 8.230 nan 0.000 0.885 123 E N 0.778 120.960 120.200 -0.030 0.000 2.415 123 E HA -0.005 4.345 4.350 -0.000 0.000 0.260 123 E C 1.106 177.698 176.600 -0.014 0.000 1.016 123 E CA 0.306 56.695 56.400 -0.018 0.000 0.924 123 E CB 1.037 30.732 29.700 -0.008 0.000 0.961 123 E HN 0.270 nan 8.360 nan 0.000 0.459 124 E N 2.595 122.784 120.200 -0.018 0.000 2.187 124 E HA -0.252 4.098 4.350 -0.000 0.000 0.199 124 E C 1.390 177.990 176.600 -0.001 0.000 1.004 124 E CA 1.941 58.332 56.400 -0.016 0.000 0.813 124 E CB -0.044 29.646 29.700 -0.016 0.000 0.736 124 E HN 0.569 nan 8.360 nan 0.000 0.468 125 S N -1.004 114.699 115.700 0.005 0.000 2.436 125 S HA -0.114 4.356 4.470 -0.000 0.000 0.228 125 S C 2.029 176.644 174.600 0.025 0.000 1.014 125 S CA 0.771 58.979 58.200 0.014 0.000 0.950 125 S CB -0.165 63.042 63.200 0.012 0.000 0.784 125 S HN 0.195 nan 8.310 nan 0.000 0.504 126 Q N 1.554 121.370 119.800 0.026 0.000 2.083 126 Q HA 0.181 4.521 4.340 -0.000 0.000 0.198 126 Q C 1.892 177.937 176.000 0.075 0.000 0.969 126 Q CA 1.484 57.312 55.803 0.042 0.000 0.838 126 Q CB -0.638 28.120 28.738 0.033 0.000 0.900 126 Q HN 0.679 nan 8.270 nan 0.000 0.436 127 I N 0.846 121.461 120.570 0.075 0.000 2.264 127 I HA -0.241 3.928 4.170 -0.000 0.000 0.248 127 I C 1.486 177.707 176.117 0.174 0.000 1.111 127 I CA 1.099 62.484 61.300 0.142 0.000 1.382 127 I CB -0.223 37.779 38.000 0.002 0.000 1.060 127 I HN 0.202 nan 8.210 nan 0.000 0.418 128 E N 0.494 120.749 120.200 0.091 0.000 2.511 128 E HA -0.140 4.210 4.350 -0.000 0.000 0.196 128 E C 1.737 178.371 176.600 0.056 0.000 1.066 128 E CA 0.579 57.024 56.400 0.076 0.000 0.871 128 E CB -0.010 29.716 29.700 0.044 0.000 0.863 128 E HN 0.513 nan 8.360 nan 0.000 0.520 129 K N 0.530 120.964 120.400 0.056 0.000 2.240 129 K HA -0.006 4.314 4.320 -0.000 0.000 0.202 129 K C 1.469 178.071 176.600 0.002 0.000 1.053 129 K CA 0.195 56.498 56.287 0.028 0.000 0.973 129 K CB 0.437 32.956 32.500 0.031 0.000 0.924 129 K HN -0.181 nan 8.250 nan 0.000 0.477 130 E N 1.133 121.341 120.200 0.014 0.000 2.268 130 E HA -0.190 4.160 4.350 -0.000 0.000 0.195 130 E C 1.867 178.263 176.600 -0.341 0.000 0.995 130 E CA 0.761 57.102 56.400 -0.099 0.000 0.836 130 E CB -0.043 29.641 29.700 -0.025 0.000 0.763 130 E HN 0.328 nan 8.360 nan 0.000 0.491 131 R N 0.658 121.049 120.500 -0.181 0.000 2.066 131 R HA -0.073 4.267 4.340 -0.000 0.000 0.232 131 R C 2.335 178.529 176.300 -0.176 0.000 1.131 131 R CA 1.657 57.632 56.100 -0.208 0.000 0.955 131 R CB -0.533 29.825 30.300 0.095 0.000 0.851 131 R HN 0.162 nan 8.270 nan 0.000 0.432 132 G N 0.156 108.900 108.800 -0.093 0.000 2.408 132 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 132 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 132 G C 1.402 176.251 174.900 -0.085 0.000 1.150 132 G CA 0.724 45.782 45.100 -0.070 0.000 0.776 132 G HN 0.217 nan 8.290 nan 0.000 0.542 133 V N 1.124 120.979 119.914 -0.097 0.000 2.307 133 V HA -0.117 4.003 4.120 -0.000 0.000 0.245 133 V C 2.786 178.815 176.094 -0.108 0.000 1.045 133 V CA 1.380 63.639 62.300 -0.068 0.000 1.024 133 V CB -0.339 31.474 31.823 -0.016 0.000 0.651 133 V HN 0.378 nan 8.190 nan 0.000 0.449 134 I N -0.407 119.991 120.570 -0.287 0.000 2.163 134 I HA -0.289 3.881 4.170 -0.000 0.000 0.243 134 I C 2.344 178.372 176.117 -0.149 0.000 1.085 134 I CA 1.672 62.775 61.300 -0.328 0.000 1.347 134 I CB -0.355 37.258 38.000 -0.644 0.000 1.044 134 I HN 0.273 nan 8.210 nan 0.000 0.408 135 L N 0.064 121.194 121.223 -0.154 0.000 2.187 135 L HA -0.247 4.093 4.340 -0.000 0.000 0.213 135 L C 2.681 179.517 176.870 -0.056 0.000 1.100 135 L CA 1.094 55.877 54.840 -0.094 0.000 0.765 135 L CB -0.539 41.469 42.059 -0.086 0.000 0.904 135 L HN 0.406 nan 8.230 nan 0.000 0.437 136 Q N 0.136 119.909 119.800 -0.046 0.000 2.008 136 Q HA -0.149 4.191 4.340 -0.000 0.000 0.196 136 Q C 2.023 178.019 176.000 -0.006 0.000 0.973 136 Q CA 1.307 57.097 55.803 -0.021 0.000 0.826 136 Q CB -0.198 28.532 28.738 -0.013 0.000 0.894 136 Q HN 0.555 nan 8.270 nan 0.000 0.439 137 E N 0.588 120.797 120.200 0.015 0.000 2.219 137 E HA -0.164 4.186 4.350 -0.000 0.000 0.198 137 E C 2.128 178.739 176.600 0.018 0.000 0.998 137 E CA 0.579 57.006 56.400 0.045 0.000 0.818 137 E CB -0.126 29.651 29.700 0.128 0.000 0.741 137 E HN 0.268 nan 8.360 nan 0.000 0.477 138 L N 0.807 122.026 121.223 -0.007 0.000 2.027 138 L HA -0.173 4.167 4.340 -0.000 0.000 0.206 138 L C 2.383 179.231 176.870 -0.035 0.000 1.074 138 L CA 1.340 56.159 54.840 -0.035 0.000 0.745 138 L CB -0.320 41.709 42.059 -0.050 0.000 0.898 138 L HN 0.062 nan 8.230 nan 0.000 0.433 139 K N -0.135 120.249 120.400 -0.027 0.000 2.147 139 K HA -0.176 4.144 4.320 -0.000 0.000 0.205 139 K C 1.904 178.492 176.600 -0.020 0.000 1.049 139 K CA 1.232 57.506 56.287 -0.023 0.000 0.936 139 K CB 0.015 32.504 32.500 -0.018 0.000 0.722 139 K HN 0.407 nan 8.250 nan 0.000 0.446 140 E N 0.700 120.891 120.200 -0.014 0.000 2.005 140 E HA -0.114 4.236 4.350 -0.000 0.000 0.191 140 E C 1.969 178.556 176.600 -0.022 0.000 0.987 140 E CA 1.168 57.562 56.400 -0.011 0.000 0.814 140 E CB -0.107 29.593 29.700 0.000 0.000 0.772 140 E HN 0.203 nan 8.360 nan 0.000 0.453 141 M N 1.203 120.788 119.600 -0.025 0.000 2.331 141 M HA -0.213 4.267 4.480 -0.000 0.000 0.260 141 M C 1.577 177.836 176.300 -0.068 0.000 1.072 141 M CA 1.077 56.349 55.300 -0.046 0.000 1.065 141 M CB -0.319 32.248 32.600 -0.056 0.000 1.392 141 M HN 0.020 nan 8.290 nan 0.000 0.427 142 D N 0.631 120.994 120.400 -0.062 0.000 2.264 142 D HA -0.090 4.550 4.640 -0.000 0.000 0.208 142 D C 1.237 177.499 176.300 -0.065 0.000 0.966 142 D CA 0.883 54.840 54.000 -0.072 0.000 0.864 142 D CB -0.018 40.751 40.800 -0.051 0.000 0.933 142 D HN 0.262 nan 8.370 nan 0.000 0.499 143 N N 0.492 119.164 118.700 -0.047 0.000 2.314 143 N HA -0.030 4.710 4.740 -0.000 0.000 0.200 143 N C -0.535 174.948 175.510 -0.046 0.000 1.135 143 N CA 0.176 53.203 53.050 -0.038 0.000 0.835 143 N CB 0.446 38.921 38.487 -0.020 0.000 0.989 143 N HN 0.164 nan 8.380 nan 0.000 0.478 144 D N 1.090 121.451 120.400 -0.065 0.000 2.485 144 D HA 0.136 4.776 4.640 -0.000 0.000 0.256 144 D C 1.489 177.715 176.300 -0.123 0.000 1.141 144 D CA -0.411 53.549 54.000 -0.067 0.000 0.942 144 D CB 0.386 41.157 40.800 -0.049 0.000 1.003 144 D HN -0.246 nan 8.370 nan 0.000 0.507 145 M N 1.066 120.552 119.600 -0.190 0.000 2.124 145 M HA -0.210 4.270 4.480 -0.000 0.000 0.253 145 M C 1.700 177.767 176.300 -0.389 0.000 1.077 145 M CA 1.630 56.696 55.300 -0.390 0.000 1.085 145 M CB -1.707 30.438 32.600 -0.758 0.000 1.320 145 M HN 0.318 nan 8.290 nan 0.000 0.404 146 T N 0.674 115.088 114.554 -0.233 0.000 2.759 146 T HA -0.125 4.225 4.350 -0.000 0.000 0.269 146 T C 1.740 176.477 174.700 0.061 0.000 1.042 146 T CA 1.495 63.623 62.100 0.046 0.000 1.140 146 T CB -0.258 68.683 68.868 0.123 0.000 0.864 146 T HN 0.369 nan 8.240 nan 0.000 0.455 147 N N 0.493 119.172 118.700 -0.035 0.000 2.336 147 N HA 0.055 4.795 4.740 -0.000 0.000 0.177 147 N C 2.020 177.477 175.510 -0.088 0.000 1.018 147 N CA 0.485 53.512 53.050 -0.039 0.000 0.878 147 N CB -0.278 38.155 38.487 -0.091 0.000 0.997 147 N HN 0.192 nan 8.380 nan 0.000 0.433 148 V N 1.426 121.234 119.914 -0.178 0.000 2.392 148 V HA -0.221 3.899 4.120 -0.000 0.000 0.249 148 V C 2.210 178.081 176.094 -0.371 0.000 1.059 148 V CA 1.731 63.816 62.300 -0.359 0.000 1.051 148 V CB -0.861 30.754 31.823 -0.347 0.000 0.658 148 V HN 0.332 nan 8.190 nan 0.000 0.455 149 T N -0.391 114.094 114.554 -0.115 0.000 2.737 149 T HA -0.113 4.237 4.350 -0.000 0.000 0.265 149 T C 1.649 176.363 174.700 0.023 0.000 1.038 149 T CA 1.558 63.668 62.100 0.018 0.000 1.144 149 T CB -0.346 68.572 68.868 0.083 0.000 0.866 149 T HN 0.378 nan 8.240 nan 0.000 0.434 150 F N 1.650 121.578 119.950 -0.037 0.000 2.234 150 F HA -0.043 4.483 4.527 -0.000 0.000 0.299 150 F C 2.299 178.184 175.800 0.142 0.000 1.087 150 F CA 0.766 58.779 58.000 0.022 0.000 1.340 150 F CB -0.252 38.705 39.000 -0.073 0.000 1.031 150 F HN 0.096 nan 8.300 nan 0.000 0.500 151 D N -0.863 119.638 120.400 0.168 0.000 2.097 151 D HA -0.204 4.435 4.640 -0.000 0.000 0.197 151 D C 2.284 178.710 176.300 0.210 0.000 0.984 151 D CA 1.423 55.480 54.000 0.095 0.000 0.826 151 D CB -0.658 40.082 40.800 -0.101 0.000 0.973 151 D HN 0.335 nan 8.370 nan 0.000 0.460 152 Y N 0.319 120.668 120.300 0.081 0.000 2.207 152 Y HA -0.204 4.346 4.550 -0.000 0.000 0.287 152 Y C 2.424 178.349 175.900 0.041 0.000 1.156 152 Y CA -0.104 58.022 58.100 0.043 0.000 1.182 152 Y CB -0.055 38.408 38.460 0.005 0.000 0.979 152 Y HN -0.029 nan 8.280 nan 0.000 0.521 153 L N -0.046 121.294 121.223 0.195 0.000 2.042 153 L HA -0.268 4.072 4.340 -0.000 0.000 0.210 153 L C 1.921 178.836 176.870 0.074 0.000 1.076 153 L CA 2.023 56.896 54.840 0.055 0.000 0.749 153 L CB -0.733 41.280 42.059 -0.078 0.000 0.893 153 L HN 0.152 nan 8.230 nan 0.000 0.432 154 H N -0.521 118.650 119.070 0.170 0.000 2.299 154 H HA 0.064 4.620 4.556 -0.000 0.000 0.302 154 H C 2.188 177.640 175.328 0.208 0.000 1.078 154 H CA 1.473 57.689 56.048 0.279 0.000 1.323 154 H CB -0.558 29.400 29.762 0.326 0.000 1.381 154 H HN 0.467 nan 8.280 nan 0.000 0.498 155 A N -0.682 122.322 122.820 0.305 0.000 2.204 155 A HA -0.247 4.073 4.320 -0.000 0.000 0.220 155 A C 2.219 179.863 177.584 0.099 0.000 1.165 155 A CA 2.382 54.539 52.037 0.201 0.000 0.671 155 A CB -0.622 18.515 19.000 0.228 0.000 0.792 155 A HN 0.521 nan 8.150 nan 0.000 0.473 156 T N -3.178 111.398 114.554 0.038 0.000 3.115 156 T HA 0.379 4.729 4.350 -0.000 0.000 0.256 156 T C 1.935 176.503 174.700 -0.220 0.000 0.970 156 T CA 1.112 63.162 62.100 -0.083 0.000 1.010 156 T CB -0.449 68.352 68.868 -0.112 0.000 1.151 156 T HN 0.532 nan 8.240 nan 0.000 0.479 157 A N 0.279 122.916 122.820 -0.305 0.000 1.986 157 A HA 0.111 4.431 4.320 -0.000 0.000 0.220 157 A C 1.182 178.268 177.584 -0.829 0.000 1.171 157 A CA 1.373 52.992 52.037 -0.696 0.000 0.640 157 A CB -0.718 17.939 19.000 -0.572 0.000 0.811 157 A HN 0.627 nan 8.150 nan 0.000 0.451 158 F N -0.034 119.907 119.950 -0.015 0.000 2.805 158 F HA 0.174 4.701 4.527 -0.000 0.000 0.317 158 F C 0.649 176.459 175.800 0.017 0.000 1.146 158 F CA -0.668 57.361 58.000 0.047 0.000 1.265 158 F CB 0.114 39.197 39.000 0.138 0.000 0.992 158 F HN 0.316 nan 8.300 nan 0.000 0.511 159 Q N 0.304 120.140 119.800 0.061 0.000 2.326 159 Q HA 0.208 4.547 4.340 -0.000 0.000 0.314 159 Q C 1.162 177.195 176.000 0.054 0.000 1.091 159 Q CA 0.895 56.722 55.803 0.040 0.000 0.974 159 Q CB 0.394 29.110 28.738 -0.037 0.000 1.220 159 Q HN 0.528 nan 8.270 nan 0.000 0.398 160 G N 1.491 110.322 108.800 0.051 0.000 2.148 160 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.254 160 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.254 160 G C 0.182 175.115 174.900 0.055 0.000 0.981 160 G CA 0.575 45.700 45.100 0.042 0.000 0.670 160 G HN 1.283 nan 8.290 nan 0.000 0.528 161 T N -4.698 109.904 114.554 0.080 0.000 2.742 161 T HA 0.845 5.195 4.350 -0.000 0.000 0.282 161 T C 1.489 176.212 174.700 0.039 0.000 1.025 161 T CA 0.591 62.729 62.100 0.063 0.000 1.020 161 T CB 1.315 70.238 68.868 0.091 0.000 1.317 161 T HN 1.328 nan 8.240 nan 0.000 0.538 162 A N 0.026 122.838 122.820 -0.012 0.000 1.873 162 A HA 0.190 4.510 4.320 -0.000 0.000 0.215 162 A C 2.258 179.802 177.584 -0.067 0.000 1.186 162 A CA 1.089 53.096 52.037 -0.050 0.000 0.616 162 A CB -1.287 17.649 19.000 -0.106 0.000 0.823 162 A HN 0.772 nan 8.150 nan 0.000 0.442 163 L N -0.447 120.702 121.223 -0.124 0.000 2.642 163 L HA -0.146 4.194 4.340 -0.000 0.000 0.236 163 L C 2.607 179.552 176.870 0.126 0.000 1.169 163 L CA 0.488 55.238 54.840 -0.151 0.000 0.851 163 L CB -0.317 41.415 42.059 -0.544 0.000 0.968 163 L HN 0.484 nan 8.230 nan 0.000 0.453 164 A N -0.321 122.591 122.820 0.155 0.000 2.169 164 A HA 0.009 4.329 4.320 -0.000 0.000 0.212 164 A C 1.176 178.839 177.584 0.132 0.000 1.153 164 A CA 0.186 52.349 52.037 0.211 0.000 0.756 164 A CB -0.103 18.996 19.000 0.165 0.000 0.813 164 A HN 0.280 nan 8.150 nan 0.000 0.471 165 R N 0.687 121.224 120.500 0.061 0.000 2.500 165 R HA 0.392 4.731 4.340 -0.000 0.000 0.275 165 R C 0.083 176.372 176.300 -0.018 0.000 1.051 165 R CA 0.213 56.327 56.100 0.024 0.000 1.088 165 R CB 0.540 30.845 30.300 0.008 0.000 1.063 165 R HN 0.373 nan 8.270 nan 0.000 0.511 166 T N -1.970 112.562 114.554 -0.036 0.000 2.899 166 T HA 0.093 4.443 4.350 -0.000 0.000 0.295 166 T C 1.439 176.067 174.700 -0.120 0.000 1.033 166 T CA -0.927 61.117 62.100 -0.092 0.000 1.084 166 T CB 1.155 69.960 68.868 -0.105 0.000 0.979 166 T HN 0.230 nan 8.240 nan 0.000 0.532 167 V N 1.568 121.381 119.914 -0.168 0.000 2.427 167 V HA -0.069 4.051 4.120 -0.000 0.000 0.248 167 V C 2.367 178.281 176.094 -0.301 0.000 1.051 167 V CA 1.642 63.837 62.300 -0.175 0.000 1.048 167 V CB -0.936 30.792 31.823 -0.159 0.000 0.666 167 V HN 0.856 nan 8.190 nan 0.000 0.456 168 E N 0.291 120.204 120.200 -0.480 0.000 2.482 168 E HA 0.293 4.643 4.350 -0.000 0.000 0.196 168 E C 1.210 177.673 176.600 -0.229 0.000 1.047 168 E CA 0.660 56.669 56.400 -0.653 0.000 0.869 168 E CB -0.343 28.965 29.700 -0.653 0.000 0.836 168 E HN 0.613 nan 8.360 nan 0.000 0.520 169 G N -0.302 108.415 108.800 -0.138 0.000 2.693 169 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.226 169 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.226 169 G C 0.116 174.990 174.900 -0.043 0.000 1.354 169 G CA -0.297 44.773 45.100 -0.050 0.000 0.873 169 G HN 0.166 nan 8.290 nan 0.000 0.562 170 T N -0.673 113.875 114.554 -0.010 0.000 2.897 170 T HA 0.604 4.954 4.350 -0.000 0.000 0.278 170 T C 1.740 176.430 174.700 -0.016 0.000 0.981 170 T CA 0.442 62.538 62.100 -0.007 0.000 0.973 170 T CB 1.445 70.322 68.868 0.015 0.000 1.092 170 T HN 0.729 nan 8.240 nan 0.000 0.543 171 T N 1.141 115.684 114.554 -0.019 0.000 2.732 171 T HA -0.077 4.273 4.350 -0.000 0.000 0.261 171 T C 2.002 176.670 174.700 -0.054 0.000 1.040 171 T CA 0.911 62.988 62.100 -0.038 0.000 1.145 171 T CB -0.167 68.682 68.868 -0.032 0.000 0.866 171 T HN 0.476 nan 8.240 nan 0.000 0.427 172 E N 1.673 121.861 120.200 -0.020 0.000 2.033 172 E HA -0.136 4.214 4.350 -0.000 0.000 0.199 172 E C 2.208 178.804 176.600 -0.007 0.000 1.011 172 E CA 1.237 57.633 56.400 -0.008 0.000 0.815 172 E CB -0.755 29.008 29.700 0.105 0.000 0.755 172 E HN 0.355 nan 8.360 nan 0.000 0.451 173 N N 0.670 119.399 118.700 0.049 0.000 2.060 173 N HA -0.167 4.573 4.740 -0.000 0.000 0.195 173 N C 1.982 177.538 175.510 0.077 0.000 1.028 173 N CA 1.075 54.171 53.050 0.076 0.000 0.861 173 N CB -0.385 38.145 38.487 0.071 0.000 1.029 173 N HN 0.174 nan 8.380 nan 0.000 0.428 174 I N 0.446 121.042 120.570 0.044 0.000 2.439 174 I HA -0.187 3.983 4.170 -0.000 0.000 0.251 174 I C 1.706 177.850 176.117 0.046 0.000 1.139 174 I CA 0.990 62.342 61.300 0.088 0.000 1.438 174 I CB 0.004 37.984 38.000 -0.032 0.000 1.085 174 I HN 0.116 nan 8.210 nan 0.000 0.427 175 K N -0.484 119.822 120.400 -0.158 0.000 2.365 175 K HA -0.081 4.239 4.320 -0.000 0.000 0.199 175 K C 1.319 177.686 176.600 -0.389 0.000 1.045 175 K CA 0.839 56.928 56.287 -0.331 0.000 0.962 175 K CB 0.075 32.237 32.500 -0.564 0.000 0.759 175 K HN 0.428 nan 8.250 nan 0.000 0.469 176 H N -0.872 118.238 119.070 0.067 0.000 3.255 176 H HA 0.184 4.740 4.556 -0.000 0.000 0.256 176 H C 0.370 175.702 175.328 0.008 0.000 1.049 176 H CA -0.371 55.697 56.048 0.034 0.000 1.202 176 H CB 0.205 29.980 29.762 0.021 0.000 1.497 176 H HN -0.010 nan 8.280 nan 0.000 0.503 177 L N 2.314 123.595 121.223 0.098 0.000 2.605 177 L HA -0.078 4.262 4.340 -0.000 0.000 0.296 177 L C 0.369 177.158 176.870 -0.135 0.000 1.255 177 L CA 0.972 55.795 54.840 -0.028 0.000 0.879 177 L CB 0.381 42.394 42.059 -0.077 0.000 1.124 177 L HN 0.113 nan 8.230 nan 0.000 0.507 178 T N 2.779 117.245 114.554 -0.147 0.000 2.942 178 T HA 0.239 4.589 4.350 -0.000 0.000 0.289 178 T C 0.954 175.536 174.700 -0.197 0.000 1.044 178 T CA -0.783 61.229 62.100 -0.148 0.000 1.023 178 T CB 2.028 70.853 68.868 -0.071 0.000 1.123 178 T HN 0.537 nan 8.240 nan 0.000 0.512 179 R N 0.734 121.139 120.500 -0.159 0.000 2.117 179 R HA -0.147 4.193 4.340 -0.000 0.000 0.243 179 R C 2.183 178.418 176.300 -0.108 0.000 1.143 179 R CA 1.799 57.814 56.100 -0.142 0.000 0.968 179 R CB -0.796 29.449 30.300 -0.092 0.000 0.863 179 R HN 0.739 nan 8.270 nan 0.000 0.444 180 A N 1.170 123.940 122.820 -0.084 0.000 1.858 180 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 180 A C 1.690 179.240 177.584 -0.057 0.000 1.190 180 A CA 2.027 54.029 52.037 -0.059 0.000 0.617 180 A CB -0.638 18.335 19.000 -0.045 0.000 0.827 180 A HN 0.403 nan 8.150 nan 0.000 0.443 181 D N 0.207 120.568 120.400 -0.065 0.000 2.123 181 D HA -0.133 4.507 4.640 -0.000 0.000 0.196 181 D C 1.873 178.152 176.300 -0.036 0.000 0.992 181 D CA 1.274 55.250 54.000 -0.040 0.000 0.833 181 D CB -0.298 40.475 40.800 -0.045 0.000 0.954 181 D HN 0.435 nan 8.370 nan 0.000 0.455 182 L N 0.642 121.795 121.223 -0.116 0.000 1.994 182 L HA -0.182 4.158 4.340 -0.000 0.000 0.208 182 L C 2.576 179.420 176.870 -0.044 0.000 1.071 182 L CA 1.194 55.959 54.840 -0.123 0.000 0.745 182 L CB -0.687 41.233 42.059 -0.233 0.000 0.892 182 L HN 0.051 nan 8.230 nan 0.000 0.431 183 A N -0.308 122.476 122.820 -0.060 0.000 1.869 183 A HA -0.330 3.990 4.320 -0.000 0.000 0.218 183 A C 2.554 180.118 177.584 -0.033 0.000 1.203 183 A CA 2.566 54.578 52.037 -0.042 0.000 0.638 183 A CB -1.129 17.843 19.000 -0.046 0.000 0.831 183 A HN 0.411 nan 8.150 nan 0.000 0.450 184 S N -1.901 113.780 115.700 -0.031 0.000 2.369 184 S HA -0.290 4.180 4.470 -0.000 0.000 0.225 184 S C 1.859 176.420 174.600 -0.066 0.000 1.043 184 S CA 2.078 60.250 58.200 -0.047 0.000 1.074 184 S CB -0.700 62.481 63.200 -0.032 0.000 0.962 184 S HN 0.663 nan 8.310 nan 0.000 0.433 185 Y N 1.879 122.100 120.300 -0.132 0.000 2.069 185 Y HA -0.233 4.317 4.550 -0.000 0.000 0.278 185 Y C 2.021 177.747 175.900 -0.290 0.000 1.175 185 Y CA 2.348 60.371 58.100 -0.127 0.000 1.134 185 Y CB -0.486 37.926 38.460 -0.081 0.000 0.965 185 Y HN 0.356 nan 8.280 nan 0.000 0.498 186 I N 0.104 120.625 120.570 -0.080 0.000 2.163 186 I HA -0.342 3.828 4.170 -0.000 0.000 0.243 186 I C 1.893 177.883 176.117 -0.210 0.000 1.085 186 I CA 1.795 62.917 61.300 -0.296 0.000 1.347 186 I CB -0.566 37.410 38.000 -0.040 0.000 1.044 186 I HN 0.310 nan 8.210 nan 0.000 0.408 187 D N 0.327 120.645 120.400 -0.137 0.000 2.224 187 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 187 D C 2.135 178.322 176.300 -0.187 0.000 0.965 187 D CA 1.457 55.392 54.000 -0.108 0.000 0.852 187 D CB -0.028 40.725 40.800 -0.078 0.000 0.947 187 D HN 0.383 nan 8.370 nan 0.000 0.494 188 T N -0.227 114.129 114.554 -0.328 0.000 2.894 188 T HA -0.041 4.309 4.350 -0.000 0.000 0.258 188 T C 1.611 175.923 174.700 -0.646 0.000 1.043 188 T CA 0.768 62.567 62.100 -0.502 0.000 1.141 188 T CB 0.152 68.604 68.868 -0.694 0.000 0.873 188 T HN 0.255 nan 8.240 nan 0.000 0.449 189 H N -0.387 118.422 119.070 -0.435 0.000 2.460 189 H HA 0.286 4.842 4.556 -0.000 0.000 0.297 189 H C 0.327 175.572 175.328 -0.138 0.000 1.023 189 H CA -0.119 55.673 56.048 -0.426 0.000 1.321 189 H CB -0.209 29.081 29.762 -0.787 0.000 1.455 189 H HN 0.351 nan 8.280 nan 0.000 0.539 190 F N 3.006 122.935 119.950 -0.034 0.000 2.613 190 F HA 0.151 4.678 4.527 -0.000 0.000 0.341 190 F C 0.288 176.059 175.800 -0.048 0.000 1.288 190 F CA 0.024 58.014 58.000 -0.016 0.000 1.103 190 F CB -0.106 38.907 39.000 0.022 0.000 1.423 190 F HN -0.223 nan 8.300 nan 0.000 0.651 191 K N 1.196 121.665 120.400 0.115 0.000 2.468 191 K HA 0.474 4.794 4.320 -0.000 0.000 0.252 191 K C 0.505 177.092 176.600 -0.022 0.000 0.932 191 K CA -0.648 55.651 56.287 0.021 0.000 0.794 191 K CB 2.052 34.543 32.500 -0.015 0.000 1.241 191 K HN 0.373 nan 8.250 nan 0.000 0.428 192 A N 4.508 127.293 122.820 -0.058 0.000 1.906 192 A HA -0.205 4.115 4.320 -0.000 0.000 0.222 192 A C -0.464 177.082 177.584 -0.063 0.000 1.282 192 A CA 2.141 54.121 52.037 -0.095 0.000 0.675 192 A CB -1.558 17.393 19.000 -0.081 0.000 0.838 192 A HN 0.674 nan 8.150 nan 0.000 0.469 193 P HA -0.162 nan 4.420 nan 0.000 0.218 193 P C 0.978 178.274 177.300 -0.007 0.000 1.148 193 P CA 1.457 64.547 63.100 -0.017 0.000 0.822 193 P CB -0.209 31.485 31.700 -0.010 0.000 0.784 194 R N -1.507 118.988 120.500 -0.008 0.000 2.334 194 R HA 0.308 4.648 4.340 -0.000 0.000 0.220 194 R C 1.060 177.364 176.300 0.007 0.000 0.917 194 R CA 0.074 56.176 56.100 0.004 0.000 1.073 194 R CB -0.131 30.166 30.300 -0.006 0.000 1.056 194 R HN 0.296 nan 8.270 nan 0.000 0.506 195 M N -0.032 119.557 119.600 -0.018 0.000 2.664 195 M HA 0.446 4.926 4.480 -0.000 0.000 0.314 195 M C -0.935 175.353 176.300 -0.020 0.000 1.200 195 M CA -1.069 54.212 55.300 -0.031 0.000 0.916 195 M CB 2.747 35.276 32.600 -0.118 0.000 1.717 195 M HN -0.297 nan 8.290 nan 0.000 0.470 196 V N 2.319 122.253 119.914 0.033 0.000 2.668 196 V HA 0.348 4.468 4.120 -0.000 0.000 0.304 196 V C -1.296 174.878 176.094 0.133 0.000 1.071 196 V CA -0.701 61.639 62.300 0.068 0.000 0.894 196 V CB 2.283 34.166 31.823 0.101 0.000 1.008 196 V HN 0.662 nan 8.190 nan 0.000 0.425 197 L N 4.981 126.263 121.223 0.097 0.000 2.268 197 L HA 0.818 5.158 4.340 -0.000 0.000 0.289 197 L C 0.401 177.389 176.870 0.198 0.000 1.064 197 L CA 0.308 55.256 54.840 0.181 0.000 0.824 197 L CB 0.735 42.910 42.059 0.193 0.000 1.202 197 L HN 0.815 nan 8.230 nan 0.000 0.433 198 A N 4.451 127.439 122.820 0.280 0.000 2.324 198 A HA 0.950 5.270 4.320 -0.000 0.000 0.330 198 A C -0.661 177.037 177.584 0.190 0.000 1.165 198 A CA -0.032 52.095 52.037 0.150 0.000 0.813 198 A CB 1.232 20.187 19.000 -0.075 0.000 1.197 198 A HN 0.930 nan 8.150 nan 0.000 0.484 199 A N 0.711 123.590 122.820 0.100 0.000 2.486 199 A HA 0.909 5.229 4.320 -0.000 0.000 0.300 199 A C -0.476 177.133 177.584 0.042 0.000 1.048 199 A CA 0.069 52.165 52.037 0.098 0.000 0.696 199 A CB 1.490 20.552 19.000 0.104 0.000 1.278 199 A HN 2.494 nan 8.150 nan 0.000 0.405 200 A N 0.612 123.454 122.820 0.038 0.000 2.520 200 A HA 0.997 5.317 4.320 -0.000 0.000 0.298 200 A C 0.238 177.831 177.584 0.015 0.000 1.051 200 A CA 0.328 52.369 52.037 0.008 0.000 0.690 200 A CB 1.081 20.070 19.000 -0.020 0.000 1.281 200 A HN 2.867 nan 8.150 nan 0.000 0.402 201 G N 0.200 109.003 108.800 0.005 0.000 2.250 201 G HA2 0.460 4.420 3.960 -0.000 0.000 0.189 201 G HA3 0.460 4.420 3.960 -0.000 0.000 0.189 201 G C 0.292 175.194 174.900 0.004 0.000 1.298 201 G CA 0.058 45.160 45.100 0.004 0.000 1.246 201 G HN 1.946 nan 8.290 nan 0.000 0.513 202 G N 0.506 109.308 108.800 0.003 0.000 2.857 202 G HA2 0.617 4.577 3.960 -0.000 0.000 0.326 202 G HA3 0.617 4.577 3.960 -0.000 0.000 0.326 202 G C -0.386 174.518 174.900 0.008 0.000 0.950 202 G CA -0.056 45.046 45.100 0.003 0.000 1.400 202 G HN 0.754 nan 8.290 nan 0.000 0.473 203 I N 0.446 121.026 120.570 0.017 0.000 2.752 203 I HA 0.218 4.388 4.170 -0.000 0.000 0.295 203 I C -0.145 175.995 176.117 0.039 0.000 1.219 203 I CA -0.923 60.392 61.300 0.025 0.000 1.030 203 I CB 2.577 40.596 38.000 0.032 0.000 1.259 203 I HN 0.315 nan 8.210 nan 0.000 0.423 204 S N 3.259 118.980 115.700 0.035 0.000 2.448 204 S HA 0.100 4.570 4.470 -0.000 0.000 0.279 204 S C 1.094 175.736 174.600 0.071 0.000 1.195 204 S CA -0.005 58.224 58.200 0.048 0.000 1.051 204 S CB 0.114 63.330 63.200 0.026 0.000 0.948 204 S HN 0.708 nan 8.310 nan 0.000 0.493 205 H N 5.612 124.685 119.070 0.006 0.000 2.321 205 H HA -0.150 4.406 4.556 -0.000 0.000 0.295 205 H C 1.644 176.983 175.328 0.018 0.000 1.102 205 H CA 2.682 58.737 56.048 0.012 0.000 1.266 205 H CB 0.088 29.853 29.762 0.005 0.000 1.363 205 H HN 0.721 nan 8.280 nan 0.000 0.492 206 K N 0.107 120.469 120.400 -0.063 0.000 2.057 206 K HA -0.133 4.187 4.320 -0.000 0.000 0.207 206 K C 2.246 178.794 176.600 -0.087 0.000 1.049 206 K CA 1.543 57.765 56.287 -0.108 0.000 0.931 206 K CB -0.070 32.422 32.500 -0.014 0.000 0.714 206 K HN 0.519 nan 8.250 nan 0.000 0.440 207 E N 0.869 121.045 120.200 -0.041 0.000 2.106 207 E HA -0.174 4.176 4.350 -0.000 0.000 0.192 207 E C 2.031 178.613 176.600 -0.030 0.000 0.984 207 E CA 0.668 57.053 56.400 -0.025 0.000 0.806 207 E CB -0.057 29.639 29.700 -0.007 0.000 0.750 207 E HN 0.118 nan 8.360 nan 0.000 0.458 208 L N 0.766 121.963 121.223 -0.044 0.000 1.973 208 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 208 L C 2.398 179.242 176.870 -0.042 0.000 1.073 208 L CA 1.454 56.278 54.840 -0.026 0.000 0.746 208 L CB -0.869 41.187 42.059 -0.006 0.000 0.891 208 L HN -0.009 nan 8.230 nan 0.000 0.433 209 V N -0.115 119.709 119.914 -0.149 0.000 2.469 209 V HA -0.295 3.825 4.120 -0.000 0.000 0.251 209 V C 2.181 178.249 176.094 -0.044 0.000 1.064 209 V CA 2.332 64.561 62.300 -0.118 0.000 1.066 209 V CB -0.602 31.068 31.823 -0.255 0.000 0.667 209 V HN 0.595 nan 8.190 nan 0.000 0.461 210 D N 0.611 120.981 120.400 -0.050 0.000 2.077 210 D HA -0.100 4.540 4.640 -0.000 0.000 0.196 210 D C 2.229 178.527 176.300 -0.003 0.000 0.986 210 D CA 1.861 55.846 54.000 -0.026 0.000 0.829 210 D CB -0.414 40.370 40.800 -0.026 0.000 0.983 210 D HN 0.553 nan 8.370 nan 0.000 0.453 211 A N 1.072 123.903 122.820 0.018 0.000 2.024 211 A HA -0.102 4.218 4.320 -0.000 0.000 0.220 211 A C 2.237 179.887 177.584 0.110 0.000 1.164 211 A CA 2.175 54.258 52.037 0.077 0.000 0.643 211 A CB -0.502 18.537 19.000 0.065 0.000 0.806 211 A HN 0.264 nan 8.150 nan 0.000 0.451 212 A N -0.228 122.636 122.820 0.074 0.000 1.841 212 A HA -0.121 4.199 4.320 -0.000 0.000 0.214 212 A C 2.194 179.849 177.584 0.118 0.000 1.195 212 A CA 1.514 53.633 52.037 0.136 0.000 0.611 212 A CB -0.507 18.619 19.000 0.211 0.000 0.835 212 A HN 0.493 nan 8.150 nan 0.000 0.443 213 R N -0.842 119.700 120.500 0.071 0.000 2.119 213 R HA -0.226 4.114 4.340 -0.000 0.000 0.246 213 R C 2.535 178.821 176.300 -0.023 0.000 1.146 213 R CA 1.994 58.118 56.100 0.039 0.000 0.962 213 R CB -0.294 30.010 30.300 0.006 0.000 0.863 213 R HN 0.766 nan 8.270 nan 0.000 0.442 214 Q N -0.959 118.781 119.800 -0.100 0.000 2.167 214 Q HA -0.168 4.172 4.340 -0.000 0.000 0.202 214 Q C 0.981 176.720 176.000 -0.435 0.000 0.970 214 Q CA 1.632 57.274 55.803 -0.269 0.000 0.855 214 Q CB 0.206 28.728 28.738 -0.359 0.000 0.911 214 Q HN 0.570 nan 8.270 nan 0.000 0.438 215 H N -2.478 116.481 119.070 -0.186 0.000 2.729 215 H HA 0.175 4.731 4.556 -0.000 0.000 0.263 215 H C -0.483 174.659 175.328 -0.309 0.000 0.961 215 H CA -0.062 55.806 56.048 -0.300 0.000 1.217 215 H CB 0.591 30.074 29.762 -0.466 0.000 1.447 215 H HN 0.030 nan 8.280 nan 0.000 0.496 216 F N 1.807 121.809 119.950 0.086 0.000 2.309 216 F HA 0.162 4.689 4.527 -0.000 0.000 0.366 216 F C 0.993 176.797 175.800 0.007 0.000 1.104 216 F CA -0.659 57.367 58.000 0.044 0.000 1.179 216 F CB 1.016 40.041 39.000 0.042 0.000 1.437 216 F HN 0.181 nan 8.300 nan 0.000 0.528 217 S N 1.602 117.390 115.700 0.148 0.000 2.433 217 S HA 0.116 4.586 4.470 -0.000 0.000 0.216 217 S C 1.608 176.224 174.600 0.027 0.000 1.031 217 S CA 0.333 58.568 58.200 0.058 0.000 0.931 217 S CB -0.867 62.344 63.200 0.017 0.000 0.875 217 S HN 0.623 nan 8.310 nan 0.000 0.553 218 G N 2.823 111.636 108.800 0.022 0.000 2.844 218 G HA2 0.085 4.045 3.960 -0.000 0.000 0.338 218 G HA3 0.085 4.045 3.960 -0.000 0.000 0.338 218 G C -0.215 174.631 174.900 -0.091 0.000 0.196 218 G CA 0.137 45.219 45.100 -0.030 0.000 1.215 218 G HN 0.510 nan 8.290 nan 0.000 0.383 219 V N 3.615 123.423 119.914 -0.176 0.000 2.383 219 V HA 0.320 4.440 4.120 -0.000 0.000 0.275 219 V C 0.900 176.714 176.094 -0.466 0.000 1.036 219 V CA -0.328 61.825 62.300 -0.245 0.000 0.889 219 V CB 1.303 32.999 31.823 -0.211 0.000 0.985 219 V HN 0.928 nan 8.190 nan 0.000 0.459 220 S N 4.330 119.842 115.700 -0.312 0.000 2.562 220 S HA 0.365 4.834 4.470 -0.000 0.000 0.281 220 S C 0.411 174.816 174.600 -0.324 0.000 1.333 220 S CA -0.139 57.886 58.200 -0.292 0.000 1.052 220 S CB 0.538 63.671 63.200 -0.112 0.000 0.884 220 S HN 0.477 nan 8.310 nan 0.000 0.506 221 F N 0.778 120.742 119.950 0.024 0.000 2.387 221 F HA 0.120 4.647 4.527 -0.000 0.000 0.278 221 F C 2.000 177.835 175.800 0.058 0.000 1.010 221 F CA 0.307 58.328 58.000 0.035 0.000 1.236 221 F CB -0.607 38.410 39.000 0.028 0.000 1.137 221 F HN 0.660 nan 8.300 nan 0.000 0.604 222 T N -1.551 113.168 114.554 0.276 0.000 2.788 222 T HA 0.047 4.397 4.350 -0.000 0.000 0.280 222 T C 0.734 175.561 174.700 0.211 0.000 0.984 222 T CA -0.234 62.013 62.100 0.246 0.000 0.972 222 T CB 0.471 69.458 68.868 0.198 0.000 1.039 222 T HN 0.439 nan 8.240 nan 0.000 0.530 223 Y N -0.129 120.201 120.300 0.049 0.000 2.286 223 Y HA 0.212 4.762 4.550 -0.000 0.000 0.293 223 Y C 2.456 178.372 175.900 0.027 0.000 1.124 223 Y CA 0.346 58.467 58.100 0.034 0.000 1.178 223 Y CB -0.453 38.025 38.460 0.030 0.000 1.010 223 Y HN 0.463 nan 8.280 nan 0.000 0.536 224 K N 0.969 120.820 120.400 -0.914 0.000 2.089 224 K HA -0.230 4.090 4.320 -0.000 0.000 0.210 224 K C 1.854 178.289 176.600 -0.274 0.000 1.048 224 K CA 2.266 58.139 56.287 -0.690 0.000 0.926 224 K CB -0.248 31.910 32.500 -0.572 0.000 0.714 224 K HN 0.584 nan 8.250 nan 0.000 0.448 225 E N 0.821 120.925 120.200 -0.160 0.000 2.085 225 E HA -0.177 4.173 4.350 -0.000 0.000 0.194 225 E C 0.704 177.263 176.600 -0.069 0.000 0.994 225 E CA 1.331 57.678 56.400 -0.089 0.000 0.801 225 E CB -0.115 29.555 29.700 -0.050 0.000 0.743 225 E HN 0.507 nan 8.360 nan 0.000 0.453 226 D N -0.208 120.164 120.400 -0.046 0.000 2.895 226 D HA 0.275 4.915 4.640 -0.000 0.000 0.258 226 D C -0.568 175.728 176.300 -0.007 0.000 1.311 226 D CA -0.203 53.784 54.000 -0.021 0.000 0.843 226 D CB 0.432 41.229 40.800 -0.005 0.000 1.055 226 D HN -0.041 nan 8.370 nan 0.000 0.486 227 A N 0.381 123.182 122.820 -0.030 0.000 2.318 227 A HA 0.465 4.785 4.320 -0.000 0.000 0.317 227 A C -0.450 177.131 177.584 -0.004 0.000 1.159 227 A CA -0.906 51.125 52.037 -0.010 0.000 0.799 227 A CB 2.055 21.032 19.000 -0.039 0.000 1.194 227 A HN 0.209 nan 8.150 nan 0.000 0.479 228 V N 5.776 125.705 119.914 0.024 0.000 2.389 228 V HA 0.428 4.548 4.120 -0.000 0.000 0.264 228 V C -1.759 174.372 176.094 0.061 0.000 1.049 228 V CA -1.644 60.682 62.300 0.043 0.000 0.932 228 V CB 0.699 32.555 31.823 0.055 0.000 1.011 228 V HN 0.848 nan 8.190 nan 0.000 0.475 229 P HA 0.225 nan 4.420 nan 0.000 0.267 229 P C -0.332 177.034 177.300 0.109 0.000 1.205 229 P CA -0.001 63.151 63.100 0.086 0.000 0.765 229 P CB 0.770 32.532 31.700 0.103 0.000 0.828 230 I N 3.262 123.877 120.570 0.076 0.000 2.395 230 I HA 0.166 4.336 4.170 -0.000 0.000 0.289 230 I C 0.944 177.084 176.117 0.038 0.000 1.023 230 I CA -0.785 60.553 61.300 0.063 0.000 1.350 230 I CB 0.670 38.702 38.000 0.053 0.000 1.409 230 I HN 0.211 nan 8.210 nan 0.000 0.507 231 L N 7.823 129.048 121.223 0.004 0.000 2.375 231 L HA 0.372 4.712 4.340 -0.000 0.000 0.271 231 L C -1.753 175.093 176.870 -0.042 0.000 1.107 231 L CA -1.658 53.145 54.840 -0.062 0.000 0.806 231 L CB 0.642 42.588 42.059 -0.188 0.000 1.146 231 L HN 0.437 nan 8.230 nan 0.000 0.447 232 P HA 0.090 nan 4.420 nan 0.000 0.271 232 P C -0.828 176.454 177.300 -0.029 0.000 1.216 232 P CA -0.514 62.574 63.100 -0.021 0.000 0.771 232 P CB 0.759 32.450 31.700 -0.016 0.000 0.864 233 R N 2.489 122.989 120.500 -0.001 0.000 2.643 233 R HA 0.187 4.527 4.340 -0.000 0.000 0.270 233 R C -0.838 175.475 176.300 0.021 0.000 1.061 233 R CA -0.106 56.001 56.100 0.011 0.000 1.107 233 R CB 0.071 30.395 30.300 0.040 0.000 0.999 233 R HN 0.485 nan 8.270 nan 0.000 0.460 234 C N 4.500 123.815 119.300 0.024 0.000 2.295 234 C HA 0.375 4.835 4.460 -0.000 0.000 0.331 234 C C 0.275 175.403 174.990 0.230 0.000 1.280 234 C CA -0.593 58.469 59.018 0.074 0.000 1.746 234 C CB 0.477 28.170 27.740 -0.079 0.000 2.328 234 C HN 0.813 nan 8.230 nan 0.000 0.521 235 R N 3.001 123.646 120.500 0.241 0.000 2.265 235 R HA 0.338 4.678 4.340 -0.000 0.000 0.314 235 R C -0.811 175.692 176.300 0.338 0.000 1.053 235 R CA -0.314 55.939 56.100 0.256 0.000 0.931 235 R CB 0.452 30.838 30.300 0.143 0.000 1.024 235 R HN 0.689 nan 8.270 nan 0.000 0.457 236 F N 2.987 123.041 119.950 0.173 0.000 2.399 236 F HA 0.257 4.784 4.527 -0.000 0.000 0.342 236 F C -0.596 175.184 175.800 -0.033 0.000 1.106 236 F CA 0.547 58.551 58.000 0.008 0.000 1.196 236 F CB 1.413 40.410 39.000 -0.006 0.000 1.163 236 F HN 0.410 nan 8.300 nan 0.000 0.547 237 T N 4.468 118.477 114.554 -0.908 0.000 2.879 237 T HA 0.450 4.800 4.350 -0.000 0.000 0.290 237 T C -0.124 174.109 174.700 -0.778 0.000 0.993 237 T CA -0.528 61.217 62.100 -0.591 0.000 0.975 237 T CB 1.297 69.954 68.868 -0.352 0.000 0.981 237 T HN 0.909 nan 8.240 nan 0.000 0.439 238 G N 2.430 111.012 108.800 -0.364 0.000 2.354 238 G HA2 0.511 4.471 3.960 -0.000 0.000 0.266 238 G HA3 0.511 4.471 3.960 -0.000 0.000 0.266 238 G C -0.061 174.659 174.900 -0.300 0.000 1.242 238 G CA -0.124 44.875 45.100 -0.168 0.000 0.923 238 G HN 0.983 nan 8.290 nan 0.000 0.476 239 S N 1.134 116.656 115.700 -0.298 0.000 2.663 239 S HA 0.637 5.107 4.470 -0.000 0.000 0.264 239 S C -0.967 173.505 174.600 -0.215 0.000 1.112 239 S CA -0.882 57.055 58.200 -0.438 0.000 0.823 239 S CB 1.634 64.624 63.200 -0.351 0.000 1.111 239 S HN 0.976 nan 8.310 nan 0.000 0.476 240 E N 0.162 120.239 120.200 -0.205 0.000 2.433 240 E HA 0.829 5.179 4.350 -0.000 0.000 0.273 240 E C -1.332 175.203 176.600 -0.108 0.000 0.950 240 E CA -1.238 55.122 56.400 -0.066 0.000 0.796 240 E CB 2.252 31.991 29.700 0.066 0.000 1.330 240 E HN 0.859 nan 8.360 nan 0.000 0.455 241 I N 0.312 120.822 120.570 -0.100 0.000 2.610 241 I HA 0.409 4.579 4.170 -0.000 0.000 0.289 241 I C -1.667 174.365 176.117 -0.143 0.000 1.163 241 I CA -0.709 60.497 61.300 -0.156 0.000 1.044 241 I CB 1.522 39.386 38.000 -0.225 0.000 1.251 241 I HN 0.563 nan 8.210 nan 0.000 0.424 242 R N 6.537 126.956 120.500 -0.134 0.000 2.371 242 R HA 0.627 4.967 4.340 -0.000 0.000 0.312 242 R C -0.777 175.461 176.300 -0.104 0.000 0.980 242 R CA -0.713 55.334 56.100 -0.088 0.000 0.867 242 R CB 1.918 32.192 30.300 -0.044 0.000 1.163 242 R HN 0.638 nan 8.270 nan 0.000 0.492 243 A N 4.074 126.840 122.820 -0.090 0.000 2.444 243 A HA 0.291 4.611 4.320 -0.000 0.000 0.332 243 A C -0.021 177.573 177.584 0.016 0.000 1.430 243 A CA -0.542 51.465 52.037 -0.049 0.000 0.975 243 A CB 0.230 19.236 19.000 0.011 0.000 1.147 243 A HN 0.700 nan 8.150 nan 0.000 0.524 244 R N 1.720 122.224 120.500 0.006 0.000 2.428 244 R HA 0.480 4.820 4.340 -0.000 0.000 0.294 244 R C -1.575 174.741 176.300 0.026 0.000 1.000 244 R CA -0.271 55.841 56.100 0.020 0.000 0.960 244 R CB 0.873 31.180 30.300 0.012 0.000 1.076 244 R HN 0.582 nan 8.270 nan 0.000 0.475 245 D N 2.532 122.952 120.400 0.034 0.000 2.351 245 D HA 0.102 4.742 4.640 -0.000 0.000 0.235 245 D C -0.596 175.724 176.300 0.034 0.000 1.331 245 D CA -0.404 53.615 54.000 0.032 0.000 0.959 245 D CB 1.048 41.870 40.800 0.037 0.000 1.432 245 D HN 0.503 nan 8.370 nan 0.000 0.544 246 D N 1.938 122.355 120.400 0.029 0.000 2.351 246 D HA -0.046 4.594 4.640 -0.000 0.000 0.216 246 D C 1.726 178.044 176.300 0.030 0.000 0.968 246 D CA 0.677 54.695 54.000 0.030 0.000 0.899 246 D CB 0.279 41.094 40.800 0.024 0.000 0.907 246 D HN 0.516 nan 8.370 nan 0.000 0.514 247 A N 0.139 122.975 122.820 0.028 0.000 2.168 247 A HA 0.028 4.348 4.320 -0.000 0.000 0.215 247 A C 1.159 178.760 177.584 0.029 0.000 1.152 247 A CA 0.135 52.188 52.037 0.026 0.000 0.716 247 A CB -0.145 18.868 19.000 0.022 0.000 0.794 247 A HN 0.159 nan 8.150 nan 0.000 0.465 248 L N 0.707 121.951 121.223 0.036 0.000 2.349 248 L HA 0.179 4.519 4.340 -0.000 0.000 0.275 248 L C -0.854 176.042 176.870 0.044 0.000 1.115 248 L CA -1.759 53.105 54.840 0.041 0.000 0.820 248 L CB 0.853 42.943 42.059 0.051 0.000 1.135 248 L HN 0.137 nan 8.230 nan 0.000 0.445 249 P HA -0.138 nan 4.420 nan 0.000 0.214 249 P C 0.259 177.576 177.300 0.029 0.000 1.163 249 P CA 1.470 64.589 63.100 0.031 0.000 0.889 249 P CB 0.128 31.841 31.700 0.021 0.000 0.790 250 V N -4.788 115.142 119.914 0.027 0.000 3.141 250 V HA 0.900 5.019 4.120 -0.000 0.000 0.312 250 V C -0.929 175.224 176.094 0.098 0.000 1.157 250 V CA -1.238 61.073 62.300 0.018 0.000 1.041 250 V CB 1.462 33.202 31.823 -0.138 0.000 1.071 250 V HN 0.207 nan 8.190 nan 0.000 0.441 251 A N 0.700 123.578 122.820 0.096 0.000 2.340 251 A HA 0.824 5.144 4.320 -0.000 0.000 0.331 251 A C -0.581 177.069 177.584 0.110 0.000 1.140 251 A CA -0.672 51.450 52.037 0.142 0.000 0.801 251 A CB 0.891 19.958 19.000 0.112 0.000 1.234 251 A HN 1.053 nan 8.150 nan 0.000 0.469 252 H N 0.402 119.472 119.070 -0.000 0.000 2.495 252 H HA 0.591 5.147 4.556 -0.000 0.000 0.348 252 H C -1.272 173.941 175.328 -0.192 0.000 1.113 252 H CA -0.496 55.507 56.048 -0.075 0.000 1.195 252 H CB 1.988 31.803 29.762 0.088 0.000 1.521 252 H HN 0.389 nan 8.280 nan 0.000 0.509 253 V N 1.755 121.417 119.914 -0.421 0.000 2.760 253 V HA 0.606 4.726 4.120 -0.000 0.000 0.309 253 V C -0.655 175.131 176.094 -0.513 0.000 1.077 253 V CA -0.748 61.234 62.300 -0.529 0.000 0.910 253 V CB 1.842 33.134 31.823 -0.885 0.000 1.008 253 V HN 0.919 nan 8.190 nan 0.000 0.424 254 A N 4.385 127.032 122.820 -0.288 0.000 2.398 254 A HA 0.926 5.246 4.320 -0.000 0.000 0.301 254 A C -1.644 175.763 177.584 -0.295 0.000 1.041 254 A CA -0.447 51.449 52.037 -0.235 0.000 0.711 254 A CB 1.587 20.428 19.000 -0.265 0.000 1.240 254 A HN 0.865 nan 8.150 nan 0.000 0.420 255 L N 2.021 122.948 121.223 -0.494 0.000 2.408 255 L HA 0.939 5.279 4.340 -0.000 0.000 0.268 255 L C -0.229 176.473 176.870 -0.280 0.000 0.986 255 L CA 0.177 54.737 54.840 -0.465 0.000 0.820 255 L CB 1.912 43.501 42.059 -0.784 0.000 1.303 255 L HN 1.311 nan 8.230 nan 0.000 0.411 256 A N 3.562 126.412 122.820 0.050 0.000 2.606 256 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 256 A C -1.299 176.461 177.584 0.293 0.000 1.082 256 A CA -0.181 51.995 52.037 0.232 0.000 0.685 256 A CB 1.552 20.709 19.000 0.262 0.000 1.284 256 A HN 1.035 nan 8.150 nan 0.000 0.408 257 V N -1.376 118.647 119.914 0.183 0.000 3.193 257 V HA 0.718 4.838 4.120 -0.000 0.000 0.320 257 V C 0.186 176.046 176.094 -0.391 0.000 1.112 257 V CA -0.813 61.461 62.300 -0.044 0.000 1.026 257 V CB 1.414 33.187 31.823 -0.084 0.000 1.128 257 V HN 0.984 nan 8.190 nan 0.000 0.452 258 E N 0.580 120.275 120.200 -0.840 0.000 2.338 258 E HA 0.484 4.834 4.350 -0.000 0.000 0.272 258 E C 0.205 176.688 176.600 -0.194 0.000 1.029 258 E CA 0.046 55.979 56.400 -0.777 0.000 0.872 258 E CB 1.137 30.304 29.700 -0.887 0.000 1.015 258 E HN 1.088 nan 8.360 nan 0.000 0.417 259 G N 3.523 112.278 108.800 -0.075 0.000 2.477 259 G HA2 0.226 4.186 3.960 -0.000 0.000 0.304 259 G HA3 0.226 4.186 3.960 -0.000 0.000 0.304 259 G C -1.682 173.237 174.900 0.031 0.000 1.175 259 G CA -1.000 44.080 45.100 -0.033 0.000 0.907 259 G HN 0.491 nan 8.290 nan 0.000 0.509 260 P HA 0.116 nan 4.420 nan 0.000 0.224 260 P C 0.815 178.139 177.300 0.038 0.000 1.157 260 P CA 1.213 64.361 63.100 0.079 0.000 0.799 260 P CB 0.339 32.054 31.700 0.026 0.000 0.809 261 G N -0.550 108.217 108.800 -0.056 0.000 2.907 261 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.686 261 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.686 261 G C 0.130 175.050 174.900 0.034 0.000 1.115 261 G CA -0.394 44.675 45.100 -0.052 0.000 0.760 261 G HN 0.018 nan 8.290 nan 0.000 0.620 262 W N 1.107 122.457 121.300 0.084 0.000 2.238 262 W HA -0.296 4.364 4.660 -0.000 0.000 0.346 262 W C 2.912 179.562 176.519 0.219 0.000 1.418 262 W CA 2.945 60.333 57.345 0.072 0.000 1.403 262 W CB -0.578 28.828 29.460 -0.091 0.000 1.083 262 W HN 1.241 nan 8.180 nan 0.000 0.474 263 A N -0.832 122.253 122.820 0.442 0.000 2.019 263 A HA -0.159 4.161 4.320 -0.000 0.000 0.219 263 A C 0.956 178.716 177.584 0.292 0.000 1.164 263 A CA 1.341 53.601 52.037 0.373 0.000 0.644 263 A CB -0.624 18.531 19.000 0.257 0.000 0.805 263 A HN 0.169 nan 8.150 nan 0.000 0.449 264 D N -0.557 119.983 120.400 0.232 0.000 2.383 264 D HA 0.193 4.833 4.640 -0.000 0.000 0.252 264 D C -1.641 174.760 176.300 0.167 0.000 1.166 264 D CA -1.580 52.520 54.000 0.167 0.000 0.879 264 D CB 1.216 42.089 40.800 0.121 0.000 1.164 264 D HN 0.023 nan 8.370 nan 0.000 0.462 265 P HA -0.104 nan 4.420 nan 0.000 0.218 265 P C 0.684 178.043 177.300 0.099 0.000 1.148 265 P CA 0.682 63.867 63.100 0.140 0.000 0.822 265 P CB 0.379 32.145 31.700 0.110 0.000 0.784 266 D N -0.903 119.529 120.400 0.054 0.000 2.190 266 D HA -0.170 4.470 4.640 -0.000 0.000 0.200 266 D C 1.633 177.875 176.300 -0.096 0.000 0.992 266 D CA 0.828 54.813 54.000 -0.024 0.000 0.854 266 D CB -0.888 39.883 40.800 -0.048 0.000 0.936 266 D HN 0.160 nan 8.370 nan 0.000 0.462 267 N N 0.426 119.081 118.700 -0.074 0.000 2.247 267 N HA -0.128 4.612 4.740 -0.000 0.000 0.189 267 N C 1.871 177.350 175.510 -0.051 0.000 1.009 267 N CA 0.465 53.443 53.050 -0.120 0.000 0.872 267 N CB 0.031 38.522 38.487 0.007 0.000 0.980 267 N HN 0.152 nan 8.380 nan 0.000 0.436 268 V N 0.554 120.496 119.914 0.047 0.000 2.270 268 V HA -0.162 3.958 4.120 -0.000 0.000 0.245 268 V C 2.496 178.622 176.094 0.052 0.000 1.043 268 V CA 1.165 63.508 62.300 0.072 0.000 1.014 268 V CB -0.623 31.262 31.823 0.104 0.000 0.645 268 V HN 0.031 nan 8.190 nan 0.000 0.447 269 V N 0.086 120.011 119.914 0.018 0.000 2.332 269 V HA -0.278 3.842 4.120 -0.000 0.000 0.248 269 V C 2.399 178.490 176.094 -0.004 0.000 1.055 269 V CA 1.939 64.244 62.300 0.009 0.000 1.038 269 V CB -0.726 31.090 31.823 -0.013 0.000 0.651 269 V HN 0.431 nan 8.190 nan 0.000 0.450 270 L N -0.624 120.549 121.223 -0.083 0.000 2.013 270 L HA -0.268 4.072 4.340 -0.000 0.000 0.212 270 L C 2.542 179.467 176.870 0.091 0.000 1.073 270 L CA 2.268 57.092 54.840 -0.027 0.000 0.753 270 L CB -0.894 41.075 42.059 -0.149 0.000 0.890 270 L HN 0.433 nan 8.230 nan 0.000 0.432 271 H N -1.436 117.681 119.070 0.078 0.000 2.421 271 H HA -0.125 4.431 4.556 -0.000 0.000 0.298 271 H C 2.283 177.653 175.328 0.069 0.000 1.087 271 H CA 1.040 57.120 56.048 0.053 0.000 1.330 271 H CB 0.156 29.909 29.762 -0.014 0.000 1.388 271 H HN 0.054 nan 8.280 nan 0.000 0.526 272 V N 0.628 120.646 119.914 0.173 0.000 2.427 272 V HA -0.260 3.860 4.120 -0.000 0.000 0.248 272 V C 2.535 178.708 176.094 0.131 0.000 1.051 272 V CA 1.533 63.912 62.300 0.131 0.000 1.048 272 V CB -0.783 31.095 31.823 0.091 0.000 0.666 272 V HN 0.561 nan 8.190 nan 0.000 0.456 273 A N 0.364 123.265 122.820 0.135 0.000 1.858 273 A HA -0.263 4.057 4.320 -0.000 0.000 0.216 273 A C 2.036 179.728 177.584 0.180 0.000 1.190 273 A CA 2.211 54.338 52.037 0.150 0.000 0.617 273 A CB -0.885 18.216 19.000 0.169 0.000 0.827 273 A HN 0.655 nan 8.150 nan 0.000 0.443 274 N N -0.068 118.744 118.700 0.186 0.000 2.364 274 N HA -0.054 4.686 4.740 -0.000 0.000 0.183 274 N C 1.769 177.371 175.510 0.153 0.000 1.022 274 N CA 0.725 53.864 53.050 0.147 0.000 0.883 274 N CB -0.177 38.362 38.487 0.086 0.000 0.965 274 N HN 0.534 nan 8.380 nan 0.000 0.438 275 A N 1.017 123.932 122.820 0.159 0.000 1.930 275 A HA -0.067 4.253 4.320 -0.000 0.000 0.217 275 A C 2.045 179.661 177.584 0.055 0.000 1.175 275 A CA 0.820 52.938 52.037 0.136 0.000 0.627 275 A CB -0.388 18.734 19.000 0.202 0.000 0.815 275 A HN 0.191 nan 8.150 nan 0.000 0.443 276 I N -0.462 120.160 120.570 0.087 0.000 2.252 276 I HA -0.220 3.950 4.170 -0.000 0.000 0.245 276 I C 2.240 178.403 176.117 0.077 0.000 1.102 276 I CA 1.266 62.608 61.300 0.070 0.000 1.385 276 I CB -0.344 37.703 38.000 0.079 0.000 1.064 276 I HN 0.279 nan 8.210 nan 0.000 0.414 277 I N 0.132 120.773 120.570 0.119 0.000 2.333 277 I HA -0.035 4.135 4.170 -0.000 0.000 0.246 277 I C 1.728 177.971 176.117 0.209 0.000 1.106 277 I CA 0.878 62.269 61.300 0.151 0.000 1.411 277 I CB -0.806 37.304 38.000 0.184 0.000 1.082 277 I HN 0.460 nan 8.210 nan 0.000 0.420 278 G N 1.910 110.802 108.800 0.153 0.000 2.547 278 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.271 278 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.271 278 G C 0.046 174.990 174.900 0.074 0.000 1.209 278 G CA 0.359 45.505 45.100 0.077 0.000 0.959 278 G HN 0.639 nan 8.290 nan 0.000 0.563 279 R N -1.910 118.477 120.500 -0.189 0.000 2.692 279 R HA 0.724 5.064 4.340 -0.000 0.000 0.269 279 R C -1.186 174.583 176.300 -0.886 0.000 1.030 279 R CA -1.021 54.672 56.100 -0.678 0.000 0.882 279 R CB 1.348 31.516 30.300 -0.220 0.000 1.250 279 R HN 1.450 nan 8.270 nan 0.000 0.465 280 Y N 0.643 120.044 120.300 -1.497 0.000 2.644 280 Y HA 0.605 5.155 4.550 -0.000 0.000 0.338 280 Y C -1.991 173.227 175.900 -1.136 0.000 1.119 280 Y CA -0.592 56.650 58.100 -1.430 0.000 1.060 280 Y CB 2.629 40.573 38.460 -0.859 0.000 1.294 280 Y HN 0.998 nan 8.280 nan 0.000 0.472 281 D N 1.014 120.067 120.400 -2.245 0.000 2.625 281 D HA 0.187 4.827 4.640 -0.000 0.000 0.203 281 D C -0.386 175.229 176.300 -1.141 0.000 1.230 281 D CA -0.512 52.791 54.000 -1.163 0.000 0.784 281 D CB 0.938 41.467 40.800 -0.452 0.000 1.936 281 D HN 0.634 nan 8.370 nan 0.000 0.522 282 R N 0.995 121.100 120.500 -0.659 0.000 2.343 282 R HA -0.206 4.134 4.340 -0.000 0.000 0.264 282 R C 1.475 177.718 176.300 -0.094 0.000 1.212 282 R CA 2.245 58.191 56.100 -0.256 0.000 1.037 282 R CB -0.537 29.728 30.300 -0.059 0.000 0.874 282 R HN 0.712 nan 8.270 nan 0.000 0.489 283 T N -3.153 111.384 114.554 -0.029 0.000 3.057 283 T HA 0.050 4.400 4.350 -0.000 0.000 0.254 283 T C 0.513 175.298 174.700 0.141 0.000 1.094 283 T CA -0.311 61.829 62.100 0.067 0.000 1.088 283 T CB -0.008 68.896 68.868 0.059 0.000 0.934 283 T HN -0.123 nan 8.240 nan 0.000 0.497 284 F N 2.817 122.657 119.950 -0.184 0.000 2.593 284 F HA 0.411 4.938 4.527 -0.000 0.000 0.393 284 F C 1.750 177.548 175.800 -0.003 0.000 1.037 284 F CA -0.395 57.551 58.000 -0.089 0.000 1.195 284 F CB 0.049 38.993 39.000 -0.093 0.000 1.034 284 F HN 0.192 nan 8.300 nan 0.000 0.552 285 G N 2.547 111.407 108.800 0.100 0.000 2.464 285 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.217 285 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.217 285 G C 1.817 176.790 174.900 0.122 0.000 1.138 285 G CA 0.480 45.633 45.100 0.090 0.000 0.793 285 G HN 0.886 nan 8.290 nan 0.000 0.539 286 G N 0.755 109.640 108.800 0.142 0.000 2.517 286 G HA2 0.174 4.134 3.960 -0.000 0.000 0.222 286 G HA3 0.174 4.134 3.960 -0.000 0.000 0.222 286 G C 1.454 176.455 174.900 0.169 0.000 1.109 286 G CA 1.021 46.216 45.100 0.158 0.000 0.746 286 G HN 1.268 nan 8.290 nan 0.000 0.576 287 G N 0.850 109.760 108.800 0.183 0.000 2.594 287 G HA2 -0.423 3.537 3.960 -0.000 0.000 0.297 287 G HA3 -0.423 3.537 3.960 -0.000 0.000 0.297 287 G C 1.105 175.994 174.900 -0.018 0.000 1.273 287 G CA 1.318 46.480 45.100 0.105 0.000 0.974 287 G HN 1.079 nan 8.290 nan 0.000 0.552 288 K N 0.117 120.409 120.400 -0.181 0.000 2.589 288 K HA -0.013 4.307 4.320 -0.000 0.000 0.195 288 K C 1.482 177.871 176.600 -0.351 0.000 1.040 288 K CA 2.124 58.226 56.287 -0.308 0.000 0.950 288 K CB -0.236 32.022 32.500 -0.404 0.000 0.781 288 K HN 0.736 nan 8.250 nan 0.000 0.486 289 H N 0.011 119.083 119.070 0.004 0.000 2.755 289 H HA 0.280 4.836 4.556 -0.000 0.000 0.273 289 H C -0.039 175.301 175.328 0.021 0.000 1.055 289 H CA -0.757 55.296 56.048 0.007 0.000 1.191 289 H CB 0.392 30.162 29.762 0.012 0.000 1.536 289 H HN -0.017 nan 8.280 nan 0.000 0.529 290 L N 0.615 121.906 121.223 0.114 0.000 2.499 290 L HA -0.067 4.273 4.340 -0.000 0.000 0.281 290 L C 1.145 178.058 176.870 0.072 0.000 1.234 290 L CA 0.107 55.012 54.840 0.108 0.000 0.839 290 L CB 0.697 42.829 42.059 0.122 0.000 1.104 290 L HN 0.250 nan 8.230 nan 0.000 0.500 291 S N -0.165 115.574 115.700 0.064 0.000 2.436 291 S HA -0.088 4.382 4.470 -0.000 0.000 0.228 291 S C 0.930 175.549 174.600 0.032 0.000 1.014 291 S CA 0.360 58.586 58.200 0.043 0.000 0.950 291 S CB 0.043 63.265 63.200 0.036 0.000 0.784 291 S HN 0.698 nan 8.310 nan 0.000 0.504 292 S N 1.818 117.543 115.700 0.042 0.000 2.466 292 S HA 0.144 4.614 4.470 -0.000 0.000 0.286 292 S C 1.148 175.764 174.600 0.026 0.000 1.221 292 S CA -0.570 57.661 58.200 0.052 0.000 1.091 292 S CB 0.276 63.536 63.200 0.100 0.000 0.956 292 S HN 0.313 nan 8.310 nan 0.000 0.501 293 R N 3.059 123.560 120.500 0.001 0.000 2.096 293 R HA -0.136 4.204 4.340 -0.000 0.000 0.240 293 R C 2.082 178.337 176.300 -0.074 0.000 1.139 293 R CA 1.654 57.731 56.100 -0.038 0.000 0.952 293 R CB -0.584 29.689 30.300 -0.045 0.000 0.854 293 R HN 0.628 nan 8.270 nan 0.000 0.436 294 L N 0.923 122.093 121.223 -0.088 0.000 2.079 294 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 294 L C 2.222 179.032 176.870 -0.100 0.000 1.081 294 L CA 1.959 56.679 54.840 -0.199 0.000 0.752 294 L CB -0.728 41.079 42.059 -0.419 0.000 0.896 294 L HN 0.200 nan 8.230 nan 0.000 0.433 295 A N -0.648 122.213 122.820 0.068 0.000 1.898 295 A HA -0.056 4.264 4.320 -0.000 0.000 0.216 295 A C 2.464 179.872 177.584 -0.293 0.000 1.181 295 A CA 1.746 53.745 52.037 -0.063 0.000 0.620 295 A CB -1.129 17.878 19.000 0.012 0.000 0.819 295 A HN 0.560 nan 8.150 nan 0.000 0.442 296 A N -0.059 122.661 122.820 -0.167 0.000 1.865 296 A HA -0.092 4.228 4.320 -0.000 0.000 0.217 296 A C 2.198 179.643 177.584 -0.231 0.000 1.191 296 A CA 1.601 53.527 52.037 -0.185 0.000 0.623 296 A CB -0.749 18.181 19.000 -0.117 0.000 0.826 296 A HN 0.470 nan 8.150 nan 0.000 0.444 297 L N -0.744 120.371 121.223 -0.180 0.000 2.012 297 L HA -0.247 4.093 4.340 -0.000 0.000 0.210 297 L C 3.149 179.913 176.870 -0.178 0.000 1.073 297 L CA 1.203 55.965 54.840 -0.130 0.000 0.748 297 L CB -0.699 41.325 42.059 -0.058 0.000 0.891 297 L HN 0.461 nan 8.230 nan 0.000 0.431 298 A N -0.211 122.453 122.820 -0.259 0.000 1.927 298 A HA -0.204 4.116 4.320 -0.000 0.000 0.220 298 A C 2.311 179.682 177.584 -0.356 0.000 1.185 298 A CA 2.332 54.179 52.037 -0.317 0.000 0.639 298 A CB -0.957 17.793 19.000 -0.417 0.000 0.820 298 A HN 0.231 nan 8.150 nan 0.000 0.451 299 V N -0.170 119.469 119.914 -0.458 0.000 2.229 299 V HA -0.272 3.848 4.120 -0.000 0.000 0.243 299 V C 2.532 178.477 176.094 -0.247 0.000 1.042 299 V CA 2.247 64.347 62.300 -0.335 0.000 1.000 299 V CB -0.936 30.705 31.823 -0.304 0.000 0.637 299 V HN 0.808 nan 8.190 nan 0.000 0.446 300 E N -0.171 119.843 120.200 -0.311 0.000 2.086 300 E HA -0.285 4.064 4.350 -0.000 0.000 0.200 300 E C 1.729 178.061 176.600 -0.447 0.000 1.012 300 E CA 1.931 58.081 56.400 -0.418 0.000 0.812 300 E CB -0.123 29.228 29.700 -0.583 0.000 0.743 300 E HN 0.745 nan 8.360 nan 0.000 0.453 301 H N 0.005 118.996 119.070 -0.133 0.000 2.505 301 H HA 0.161 4.717 4.556 -0.000 0.000 0.289 301 H C -0.099 175.158 175.328 -0.119 0.000 1.052 301 H CA 0.136 56.113 56.048 -0.118 0.000 1.156 301 H CB 0.619 30.308 29.762 -0.121 0.000 1.507 301 H HN 0.061 nan 8.280 nan 0.000 0.548 302 K N 1.075 121.445 120.400 -0.051 0.000 3.278 302 K HA -0.195 4.125 4.320 -0.000 0.000 0.270 302 K C 1.070 177.631 176.600 -0.065 0.000 0.955 302 K CA 0.111 56.359 56.287 -0.065 0.000 0.723 302 K CB -1.947 30.522 32.500 -0.053 0.000 1.382 302 K HN 0.435 nan 8.250 nan 0.000 0.461 303 L N -1.574 119.597 121.223 -0.087 0.000 2.156 303 L HA -0.097 4.243 4.340 -0.000 0.000 0.208 303 L C 1.504 178.301 176.870 -0.121 0.000 1.095 303 L CA 1.405 56.170 54.840 -0.124 0.000 0.770 303 L CB -0.089 41.860 42.059 -0.183 0.000 0.914 303 L HN 0.677 nan 8.230 nan 0.000 0.439 304 C N -5.319 113.949 119.300 -0.054 0.000 3.284 304 C HA 0.301 4.761 4.460 -0.000 0.000 0.348 304 C C 1.294 176.343 174.990 0.099 0.000 1.448 304 C CA -0.935 58.113 59.018 0.050 0.000 1.223 304 C CB 1.214 28.992 27.740 0.064 0.000 1.588 304 C HN 0.160 nan 8.230 nan 0.000 0.451 305 H N 0.606 119.734 119.070 0.097 0.000 2.547 305 H HA 0.294 4.850 4.556 -0.000 0.000 0.272 305 H C 0.847 176.200 175.328 0.042 0.000 0.971 305 H CA 1.503 57.595 56.048 0.072 0.000 1.245 305 H CB 0.663 30.446 29.762 0.035 0.000 1.440 305 H HN 0.965 nan 8.280 nan 0.000 0.540 306 S N -0.154 115.682 115.700 0.226 0.000 2.686 306 S HA 0.375 4.845 4.470 -0.000 0.000 0.273 306 S C -1.587 173.188 174.600 0.291 0.000 1.060 306 S CA -1.032 57.243 58.200 0.125 0.000 0.845 306 S CB 1.300 64.531 63.200 0.051 0.000 1.086 306 S HN 0.229 nan 8.310 nan 0.000 0.461 307 F N -0.610 119.415 119.950 0.126 0.000 2.703 307 F HA 0.811 5.338 4.527 -0.000 0.000 0.308 307 F C -1.777 174.147 175.800 0.207 0.000 1.126 307 F CA -0.656 57.459 58.000 0.192 0.000 0.959 307 F CB 1.091 40.171 39.000 0.133 0.000 1.297 307 F HN 1.013 nan 8.300 nan 0.000 0.441 308 Q N 1.322 121.495 119.800 0.622 0.000 2.377 308 Q HA 0.666 5.006 4.340 -0.000 0.000 0.279 308 Q C -1.465 174.888 176.000 0.588 0.000 1.049 308 Q CA -0.928 55.157 55.803 0.470 0.000 0.825 308 Q CB 2.595 31.582 28.738 0.415 0.000 1.401 308 Q HN 0.906 nan 8.270 nan 0.000 0.404 309 T N -0.652 114.152 114.554 0.418 0.000 2.912 309 T HA 0.849 5.199 4.350 -0.000 0.000 0.280 309 T C -0.280 174.560 174.700 0.233 0.000 0.989 309 T CA -0.556 61.686 62.100 0.238 0.000 0.995 309 T CB 0.660 69.626 68.868 0.163 0.000 1.077 309 T HN 0.681 nan 8.240 nan 0.000 0.531 310 F N -1.358 118.622 119.950 0.051 0.000 2.703 310 F HA 0.685 5.212 4.527 -0.000 0.000 0.308 310 F C -1.274 174.430 175.800 -0.161 0.000 1.126 310 F CA -1.237 56.778 58.000 0.026 0.000 0.959 310 F CB 1.420 40.506 39.000 0.144 0.000 1.297 310 F HN 0.594 nan 8.300 nan 0.000 0.441 311 N N 1.171 119.987 118.700 0.193 0.000 2.752 311 N HA 0.223 4.963 4.740 -0.000 0.000 0.260 311 N C -1.528 174.020 175.510 0.064 0.000 1.562 311 N CA -0.168 52.891 53.050 0.015 0.000 0.788 311 N CB 1.058 39.389 38.487 -0.261 0.000 1.192 311 N HN 0.737 nan 8.380 nan 0.000 0.503 312 T N 1.233 115.865 114.554 0.129 0.000 2.751 312 T HA 0.190 4.540 4.350 -0.000 0.000 0.290 312 T C 0.063 174.495 174.700 -0.447 0.000 0.919 312 T CA 0.427 62.450 62.100 -0.129 0.000 1.136 312 T CB 0.164 68.968 68.868 -0.107 0.000 0.875 312 T HN 0.224 nan 8.240 nan 0.000 0.532 313 S N 2.820 118.080 115.700 -0.733 0.000 2.654 313 S HA 0.723 5.193 4.470 -0.000 0.000 0.283 313 S C -0.876 173.017 174.600 -1.179 0.000 1.180 313 S CA -0.619 56.918 58.200 -1.105 0.000 1.021 313 S CB 0.830 63.000 63.200 -1.717 0.000 1.018 313 S HN 0.651 nan 8.310 nan 0.000 0.532 314 Y N -0.611 119.303 120.300 -0.644 0.000 2.677 314 Y HA 0.185 4.735 4.550 -0.000 0.000 0.334 314 Y C 1.745 177.613 175.900 -0.054 0.000 1.154 314 Y CA -1.073 56.899 58.100 -0.214 0.000 1.070 314 Y CB 1.222 39.638 38.460 -0.074 0.000 1.294 314 Y HN 0.765 nan 8.280 nan 0.000 0.475 315 S N 0.075 116.022 115.700 0.411 0.000 2.377 315 S HA -0.273 4.197 4.470 -0.000 0.000 0.224 315 S C 0.997 175.720 174.600 0.206 0.000 1.042 315 S CA 2.211 60.614 58.200 0.339 0.000 1.086 315 S CB -0.457 62.879 63.200 0.227 0.000 0.995 315 S HN 0.881 nan 8.310 nan 0.000 0.428 316 D N -0.340 120.144 120.400 0.140 0.000 2.407 316 D HA 0.227 4.867 4.640 -0.000 0.000 0.208 316 D C 0.980 177.343 176.300 0.105 0.000 1.083 316 D CA 0.571 54.635 54.000 0.107 0.000 0.844 316 D CB 0.403 41.248 40.800 0.075 0.000 0.967 316 D HN 0.492 nan 8.370 nan 0.000 0.506 317 T N -1.634 112.990 114.554 0.117 0.000 2.584 317 T HA 0.622 4.972 4.350 -0.000 0.000 0.273 317 T C -1.034 173.720 174.700 0.091 0.000 0.978 317 T CA 0.242 62.427 62.100 0.140 0.000 1.159 317 T CB 1.389 70.388 68.868 0.219 0.000 1.556 317 T HN 0.348 nan 8.240 nan 0.000 0.472 318 G N -0.134 108.771 108.800 0.175 0.000 2.320 318 G HA2 0.453 4.413 3.960 -0.000 0.000 0.297 318 G HA3 0.453 4.413 3.960 -0.000 0.000 0.297 318 G C -2.433 172.555 174.900 0.146 0.000 1.344 318 G CA -0.726 44.376 45.100 0.004 0.000 0.851 318 G HN 0.748 nan 8.290 nan 0.000 0.567 319 L N 0.316 121.594 121.223 0.092 0.000 2.406 319 L HA 0.605 4.945 4.340 -0.000 0.000 0.272 319 L C -1.339 175.711 176.870 0.300 0.000 0.980 319 L CA -0.618 54.352 54.840 0.217 0.000 0.831 319 L CB 2.178 44.413 42.059 0.293 0.000 1.253 319 L HN 0.561 nan 8.230 nan 0.000 0.406 320 F N 2.952 122.910 119.950 0.013 0.000 2.427 320 F HA 0.807 5.334 4.527 -0.000 0.000 0.348 320 F C 0.278 175.958 175.800 -0.200 0.000 1.125 320 F CA 0.089 58.006 58.000 -0.138 0.000 0.989 320 F CB 1.509 40.359 39.000 -0.250 0.000 1.165 320 F HN 0.480 nan 8.300 nan 0.000 0.442 321 G N 4.299 112.557 108.800 -0.904 0.000 2.474 321 G HA2 0.446 4.406 3.960 -0.000 0.000 0.234 321 G HA3 0.446 4.406 3.960 -0.000 0.000 0.234 321 G C -1.841 172.576 174.900 -0.805 0.000 1.204 321 G CA -0.233 44.573 45.100 -0.490 0.000 0.939 321 G HN 0.843 nan 8.290 nan 0.000 0.491 322 F N -1.036 118.696 119.950 -0.363 0.000 2.662 322 F HA 0.858 5.385 4.527 -0.000 0.000 0.312 322 F C -1.105 174.863 175.800 0.279 0.000 1.113 322 F CA -1.257 56.724 58.000 -0.032 0.000 0.951 322 F CB 2.011 40.981 39.000 -0.050 0.000 1.344 322 F HN 0.760 nan 8.300 nan 0.000 0.462 323 H N 2.008 121.429 119.070 0.585 0.000 2.966 323 H HA 0.538 5.094 4.556 -0.000 0.000 0.347 323 H C -2.314 173.276 175.328 0.437 0.000 1.048 323 H CA -0.824 55.431 56.048 0.345 0.000 1.295 323 H CB 1.978 31.960 29.762 0.367 0.000 1.744 323 H HN 0.807 nan 8.280 nan 0.000 0.513 324 F N 2.614 122.426 119.950 -0.231 0.000 2.603 324 F HA 0.690 5.217 4.527 -0.000 0.000 0.317 324 F C -1.758 173.792 175.800 -0.417 0.000 1.066 324 F CA -1.152 56.735 58.000 -0.188 0.000 0.941 324 F CB 1.000 40.000 39.000 0.000 0.000 1.291 324 F HN 0.100 nan 8.300 nan 0.000 0.472 325 V N 2.099 122.054 119.914 0.067 0.000 2.444 325 V HA 0.890 5.010 4.120 -0.000 0.000 0.294 325 V C -0.186 176.004 176.094 0.159 0.000 1.022 325 V CA -0.240 61.974 62.300 -0.144 0.000 0.850 325 V CB 0.470 32.089 31.823 -0.339 0.000 0.992 325 V HN 1.293 nan 8.190 nan 0.000 0.426 326 A N 3.629 126.564 122.820 0.193 0.000 2.564 326 A HA 0.768 5.088 4.320 -0.000 0.000 0.288 326 A C -1.046 176.658 177.584 0.199 0.000 1.164 326 A CA -0.810 51.382 52.037 0.258 0.000 0.712 326 A CB 1.258 20.367 19.000 0.181 0.000 1.303 326 A HN 0.676 nan 8.150 nan 0.000 0.418 327 D N 1.420 121.948 120.400 0.214 0.000 2.313 327 D HA 0.254 4.894 4.640 -0.000 0.000 0.247 327 D C -1.403 174.959 176.300 0.103 0.000 1.094 327 D CA -0.995 53.100 54.000 0.158 0.000 0.925 327 D CB 1.008 41.900 40.800 0.153 0.000 1.188 327 D HN 0.260 nan 8.370 nan 0.000 0.430 328 P HA -0.181 nan 4.420 nan 0.000 0.218 328 P C 1.258 178.587 177.300 0.049 0.000 1.154 328 P CA 1.252 64.390 63.100 0.065 0.000 0.872 328 P CB 0.246 31.976 31.700 0.052 0.000 0.790 329 L N -0.452 120.792 121.223 0.036 0.000 2.612 329 L HA 0.097 4.436 4.340 -0.000 0.000 0.230 329 L C 1.632 178.499 176.870 -0.006 0.000 1.140 329 L CA 0.660 55.507 54.840 0.012 0.000 0.896 329 L CB -0.586 41.476 42.059 0.004 0.000 1.065 329 L HN 0.093 nan 8.230 nan 0.000 0.447 330 S N -2.581 113.121 115.700 0.003 0.000 2.701 330 S HA 0.256 4.726 4.470 -0.000 0.000 0.242 330 S C 1.385 175.955 174.600 -0.050 0.000 1.025 330 S CA -0.418 57.760 58.200 -0.037 0.000 1.016 330 S CB -0.016 63.159 63.200 -0.041 0.000 0.977 330 S HN 0.250 nan 8.310 nan 0.000 0.546 331 I N 2.093 122.674 120.570 0.018 0.000 2.179 331 I HA -0.165 4.005 4.170 -0.000 0.000 0.242 331 I C 2.563 178.701 176.117 0.035 0.000 1.088 331 I CA 1.944 63.294 61.300 0.085 0.000 1.357 331 I CB -0.406 37.689 38.000 0.159 0.000 1.051 331 I HN 0.330 nan 8.210 nan 0.000 0.409 332 D N 1.141 121.546 120.400 0.007 0.000 2.084 332 D HA -0.217 4.423 4.640 -0.000 0.000 0.194 332 D C 1.827 178.105 176.300 -0.037 0.000 0.990 332 D CA 1.524 55.522 54.000 -0.003 0.000 0.826 332 D CB -0.064 40.718 40.800 -0.030 0.000 0.971 332 D HN 0.211 nan 8.370 nan 0.000 0.453 333 D N -0.374 119.966 120.400 -0.101 0.000 2.149 333 D HA -0.192 4.448 4.640 -0.000 0.000 0.198 333 D C 2.010 178.240 176.300 -0.116 0.000 0.990 333 D CA 0.926 54.853 54.000 -0.121 0.000 0.839 333 D CB -0.281 40.410 40.800 -0.181 0.000 0.948 333 D HN 0.289 nan 8.370 nan 0.000 0.460 334 M N 0.619 120.064 119.600 -0.258 0.000 2.059 334 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 334 M C 2.159 178.159 176.300 -0.499 0.000 1.072 334 M CA 1.354 56.348 55.300 -0.509 0.000 1.117 334 M CB -0.444 31.609 32.600 -0.911 0.000 1.320 334 M HN -0.041 nan 8.290 nan 0.000 0.408 335 M N -0.234 119.181 119.600 -0.308 0.000 2.106 335 M HA -0.186 4.294 4.480 -0.000 0.000 0.259 335 M C 1.905 178.155 176.300 -0.084 0.000 1.068 335 M CA 1.914 57.203 55.300 -0.019 0.000 1.100 335 M CB -0.995 31.723 32.600 0.196 0.000 1.351 335 M HN 0.441 nan 8.290 nan 0.000 0.404 336 F N 0.187 120.026 119.950 -0.185 0.000 2.065 336 F HA -0.282 4.245 4.527 -0.000 0.000 0.298 336 F C 2.185 177.850 175.800 -0.226 0.000 1.112 336 F CA 2.210 60.102 58.000 -0.179 0.000 1.212 336 F CB -0.965 37.933 39.000 -0.169 0.000 0.975 336 F HN 0.304 nan 8.300 nan 0.000 0.476 337 C N 0.639 119.791 119.300 -0.246 0.000 2.429 337 C HA -0.061 4.399 4.460 -0.000 0.000 0.277 337 C C 3.129 177.823 174.990 -0.492 0.000 1.262 337 C CA 0.945 59.747 59.018 -0.360 0.000 1.733 337 C CB -1.900 25.699 27.740 -0.235 0.000 2.010 337 C HN 0.688 nan 8.230 nan 0.000 0.483 338 A N 0.602 123.065 122.820 -0.595 0.000 1.834 338 A HA -0.275 4.045 4.320 -0.000 0.000 0.216 338 A C 2.080 179.224 177.584 -0.733 0.000 1.203 338 A CA 1.902 53.417 52.037 -0.869 0.000 0.621 338 A CB -0.945 17.305 19.000 -1.250 0.000 0.841 338 A HN 0.730 nan 8.150 nan 0.000 0.446 339 Q N -0.787 118.689 119.800 -0.540 0.000 2.217 339 Q HA -0.183 4.157 4.340 -0.000 0.000 0.209 339 Q C 2.113 177.968 176.000 -0.243 0.000 0.988 339 Q CA 1.224 56.834 55.803 -0.321 0.000 0.878 339 Q CB -0.549 28.070 28.738 -0.199 0.000 0.909 339 Q HN 0.732 nan 8.270 nan 0.000 0.424 340 G N 1.325 109.885 108.800 -0.401 0.000 2.446 340 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.217 340 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.217 340 G C 1.284 176.074 174.900 -0.182 0.000 1.168 340 G CA 0.625 45.508 45.100 -0.360 0.000 0.771 340 G HN 0.208 nan 8.290 nan 0.000 0.551 341 E N 0.015 120.096 120.200 -0.199 0.000 2.153 341 E HA -0.104 4.246 4.350 -0.000 0.000 0.194 341 E C 2.175 178.859 176.600 0.140 0.000 0.988 341 E CA 0.582 56.938 56.400 -0.073 0.000 0.811 341 E CB -0.281 29.328 29.700 -0.151 0.000 0.746 341 E HN 0.603 nan 8.360 nan 0.000 0.466 342 W N 0.498 121.762 121.300 -0.060 0.000 2.358 342 W HA -0.061 4.599 4.660 -0.000 0.000 0.303 342 W C 2.133 178.680 176.519 0.046 0.000 1.208 342 W CA 0.676 58.046 57.345 0.042 0.000 1.274 342 W CB -0.644 28.881 29.460 0.108 0.000 1.138 342 W HN 0.087 nan 8.180 nan 0.000 0.515 343 M N -0.367 119.387 119.600 0.257 0.000 2.213 343 M HA -0.150 4.330 4.480 -0.000 0.000 0.263 343 M C 1.953 178.323 176.300 0.117 0.000 1.062 343 M CA 1.378 56.791 55.300 0.189 0.000 1.105 343 M CB -1.425 31.239 32.600 0.107 0.000 1.385 343 M HN 0.051 nan 8.290 nan 0.000 0.417 344 R N -0.082 120.458 120.500 0.066 0.000 2.075 344 R HA -0.054 4.286 4.340 -0.000 0.000 0.232 344 R C 2.274 178.604 176.300 0.050 0.000 1.126 344 R CA 1.037 57.154 56.100 0.029 0.000 0.963 344 R CB -0.418 29.883 30.300 0.001 0.000 0.858 344 R HN 0.342 nan 8.270 nan 0.000 0.435 345 L N -0.073 121.199 121.223 0.083 0.000 2.043 345 L HA -0.299 4.041 4.340 -0.000 0.000 0.212 345 L C 2.515 179.408 176.870 0.039 0.000 1.075 345 L CA 1.280 56.160 54.840 0.066 0.000 0.752 345 L CB -0.474 41.634 42.059 0.081 0.000 0.891 345 L HN 0.367 nan 8.230 nan 0.000 0.432 346 C N -1.501 117.834 119.300 0.058 0.000 2.464 346 C HA -0.044 4.416 4.460 -0.000 0.000 0.278 346 C C 2.730 177.723 174.990 0.006 0.000 1.375 346 C CA 1.054 60.092 59.018 0.034 0.000 1.761 346 C CB -0.966 26.836 27.740 0.104 0.000 1.944 346 C HN 0.686 nan 8.230 nan 0.000 0.509 347 T N -2.348 112.222 114.554 0.027 0.000 2.978 347 T HA 0.075 4.425 4.350 -0.000 0.000 0.248 347 T C 0.862 175.565 174.700 0.004 0.000 1.018 347 T CA 0.936 63.043 62.100 0.012 0.000 1.026 347 T CB -0.163 68.726 68.868 0.034 0.000 1.032 347 T HN 0.464 nan 8.240 nan 0.000 0.485 348 S N 0.789 116.491 115.700 0.004 0.000 2.828 348 S HA 0.322 4.792 4.470 -0.000 0.000 0.240 348 S C -0.162 174.440 174.600 0.003 0.000 0.912 348 S CA -0.629 57.570 58.200 -0.002 0.000 1.100 348 S CB -0.148 63.042 63.200 -0.017 0.000 1.271 348 S HN 0.250 nan 8.310 nan 0.000 0.476 349 T N 3.299 117.860 114.554 0.010 0.000 2.926 349 T HA 0.401 4.751 4.350 -0.000 0.000 0.307 349 T C 0.190 174.898 174.700 0.013 0.000 1.059 349 T CA 0.278 62.387 62.100 0.016 0.000 1.122 349 T CB 0.840 69.721 68.868 0.022 0.000 0.972 349 T HN 0.474 nan 8.240 nan 0.000 0.545 350 T N 2.853 117.416 114.554 0.015 0.000 2.888 350 T HA 0.236 4.586 4.350 -0.000 0.000 0.284 350 T C 1.255 175.966 174.700 0.018 0.000 1.017 350 T CA -0.926 61.182 62.100 0.013 0.000 1.022 350 T CB 1.693 70.567 68.868 0.011 0.000 1.013 350 T HN 0.493 nan 8.240 nan 0.000 0.465 351 E N 1.537 121.747 120.200 0.017 0.000 2.118 351 E HA -0.120 4.230 4.350 -0.000 0.000 0.195 351 E C 2.280 178.893 176.600 0.021 0.000 0.992 351 E CA 1.230 57.642 56.400 0.020 0.000 0.804 351 E CB -0.326 29.385 29.700 0.017 0.000 0.741 351 E HN 0.597 nan 8.360 nan 0.000 0.458 352 S N 1.348 117.059 115.700 0.018 0.000 2.365 352 S HA -0.198 4.272 4.470 -0.000 0.000 0.225 352 S C 1.872 176.486 174.600 0.024 0.000 1.039 352 S CA 1.356 59.568 58.200 0.019 0.000 1.033 352 S CB -0.263 62.946 63.200 0.015 0.000 0.887 352 S HN 0.365 nan 8.310 nan 0.000 0.447 353 E N 0.711 120.926 120.200 0.025 0.000 2.051 353 E HA -0.129 4.221 4.350 -0.000 0.000 0.192 353 E C 2.445 179.069 176.600 0.039 0.000 0.991 353 E CA 1.554 57.972 56.400 0.031 0.000 0.799 353 E CB -0.479 29.239 29.700 0.030 0.000 0.748 353 E HN 0.583 nan 8.360 nan 0.000 0.449 354 V N 0.130 120.068 119.914 0.039 0.000 2.358 354 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 354 V C 2.316 178.438 176.094 0.047 0.000 1.047 354 V CA 1.570 63.898 62.300 0.046 0.000 1.035 354 V CB -0.567 31.280 31.823 0.041 0.000 0.658 354 V HN 0.074 nan 8.190 nan 0.000 0.452 355 K N 0.755 121.177 120.400 0.038 0.000 2.020 355 K HA -0.278 4.042 4.320 -0.000 0.000 0.212 355 K C 2.546 179.169 176.600 0.038 0.000 1.050 355 K CA 2.494 58.802 56.287 0.034 0.000 0.929 355 K CB -0.347 32.169 32.500 0.027 0.000 0.714 355 K HN 0.575 nan 8.250 nan 0.000 0.443 356 R N -0.018 120.506 120.500 0.040 0.000 2.066 356 R HA -0.080 4.259 4.340 -0.000 0.000 0.232 356 R C 2.227 178.572 176.300 0.075 0.000 1.131 356 R CA 1.290 57.419 56.100 0.048 0.000 0.955 356 R CB -0.314 30.010 30.300 0.041 0.000 0.851 356 R HN 0.236 nan 8.270 nan 0.000 0.432 357 A N 1.343 124.209 122.820 0.076 0.000 1.948 357 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 357 A C 1.996 179.655 177.584 0.124 0.000 1.177 357 A CA 1.824 53.924 52.037 0.105 0.000 0.636 357 A CB -0.332 18.721 19.000 0.089 0.000 0.815 357 A HN 0.376 nan 8.150 nan 0.000 0.449 358 K N -0.358 120.093 120.400 0.085 0.000 2.057 358 K HA -0.091 4.229 4.320 -0.000 0.000 0.206 358 K C 1.753 178.382 176.600 0.048 0.000 1.050 358 K CA 1.307 57.635 56.287 0.068 0.000 0.935 358 K CB -0.181 32.353 32.500 0.056 0.000 0.715 358 K HN 0.416 nan 8.250 nan 0.000 0.439 359 N N 0.425 119.149 118.700 0.040 0.000 2.166 359 N HA -0.182 4.558 4.740 -0.000 0.000 0.186 359 N C 1.755 177.272 175.510 0.011 0.000 1.019 359 N CA 1.292 54.342 53.050 -0.001 0.000 0.856 359 N CB -0.399 38.086 38.487 -0.004 0.000 0.993 359 N HN 0.329 nan 8.380 nan 0.000 0.426 360 H N 0.845 119.912 119.070 -0.005 0.000 2.293 360 H HA -0.025 4.531 4.556 -0.000 0.000 0.300 360 H C 2.024 177.352 175.328 -0.000 0.000 1.082 360 H CA 1.314 57.364 56.048 0.003 0.000 1.308 360 H CB -0.506 29.271 29.762 0.026 0.000 1.375 360 H HN 0.067 nan 8.280 nan 0.000 0.495 361 L N 0.804 122.019 121.223 -0.013 0.000 2.079 361 L HA -0.153 4.187 4.340 -0.000 0.000 0.210 361 L C 2.260 179.066 176.870 -0.107 0.000 1.081 361 L CA 1.594 56.393 54.840 -0.069 0.000 0.752 361 L CB -0.550 41.522 42.059 0.022 0.000 0.896 361 L HN 0.235 nan 8.230 nan 0.000 0.433 362 R N -0.930 119.534 120.500 -0.060 0.000 2.075 362 R HA -0.109 4.231 4.340 -0.000 0.000 0.230 362 R C 2.193 178.461 176.300 -0.054 0.000 1.140 362 R CA 1.682 57.770 56.100 -0.020 0.000 0.928 362 R CB -0.890 29.396 30.300 -0.024 0.000 0.834 362 R HN 0.379 nan 8.270 nan 0.000 0.429 363 S N 1.011 116.645 115.700 -0.110 0.000 2.423 363 S HA -0.230 4.240 4.470 -0.000 0.000 0.238 363 S C 2.010 176.533 174.600 -0.128 0.000 1.028 363 S CA 1.374 59.508 58.200 -0.110 0.000 1.000 363 S CB -0.280 62.840 63.200 -0.132 0.000 0.797 363 S HN 0.500 nan 8.310 nan 0.000 0.487 364 A N 2.501 125.198 122.820 -0.205 0.000 1.855 364 A HA -0.100 4.220 4.320 -0.000 0.000 0.215 364 A C 2.247 179.768 177.584 -0.104 0.000 1.191 364 A CA 1.732 53.652 52.037 -0.194 0.000 0.613 364 A CB -0.776 18.065 19.000 -0.266 0.000 0.829 364 A HN 0.672 nan 8.150 nan 0.000 0.442 365 M N -1.067 118.479 119.600 -0.090 0.000 2.159 365 M HA -0.062 4.418 4.480 -0.000 0.000 0.263 365 M C 1.776 178.093 176.300 0.028 0.000 1.063 365 M CA 2.012 57.287 55.300 -0.041 0.000 1.110 365 M CB -0.795 31.782 32.600 -0.039 0.000 1.374 365 M HN 0.030 nan 8.290 nan 0.000 0.411 366 V N 1.735 121.670 119.914 0.035 0.000 2.307 366 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 366 V C 2.973 179.081 176.094 0.023 0.000 1.045 366 V CA 2.038 64.370 62.300 0.054 0.000 1.024 366 V CB -1.211 30.657 31.823 0.077 0.000 0.651 366 V HN 0.684 nan 8.190 nan 0.000 0.449 367 A N -0.839 121.979 122.820 -0.004 0.000 2.178 367 A HA -0.226 4.094 4.320 -0.000 0.000 0.218 367 A C 1.998 179.581 177.584 -0.001 0.000 1.157 367 A CA 1.324 53.355 52.037 -0.009 0.000 0.689 367 A CB -0.443 18.539 19.000 -0.030 0.000 0.787 367 A HN 0.702 nan 8.150 nan 0.000 0.465 368 Q N -0.893 118.909 119.800 0.005 0.000 2.403 368 Q HA 0.239 4.579 4.340 -0.000 0.000 0.203 368 Q C 0.040 176.049 176.000 0.014 0.000 0.932 368 Q CA 0.268 56.080 55.803 0.014 0.000 0.945 368 Q CB 0.126 28.879 28.738 0.025 0.000 1.045 368 Q HN 0.662 nan 8.270 nan 0.000 0.511 369 L N 0.360 121.591 121.223 0.012 0.000 3.255 369 L HA 0.320 4.660 4.340 -0.000 0.000 0.293 369 L C -0.418 176.453 176.870 0.001 0.000 1.302 369 L CA -0.324 54.516 54.840 -0.000 0.000 0.977 369 L CB 0.500 42.560 42.059 0.001 0.000 1.390 369 L HN -0.085 nan 8.230 nan 0.000 0.588 370 D N 1.604 122.007 120.400 0.005 0.000 2.540 370 D HA 0.555 5.195 4.640 -0.000 0.000 0.251 370 D C 0.372 176.678 176.300 0.010 0.000 1.159 370 D CA 0.271 54.276 54.000 0.007 0.000 0.974 370 D CB 0.573 41.378 40.800 0.008 0.000 0.996 370 D HN 0.394 nan 8.370 nan 0.000 0.512 371 G N 0.551 109.355 108.800 0.007 0.000 2.351 371 G HA2 -0.012 3.948 3.960 -0.000 0.000 0.353 371 G HA3 -0.012 3.948 3.960 -0.000 0.000 0.353 371 G C 0.765 175.668 174.900 0.005 0.000 1.358 371 G CA -0.079 45.028 45.100 0.012 0.000 0.995 371 G HN 0.208 nan 8.290 nan 0.000 0.611 372 T N -2.914 111.648 114.554 0.013 0.000 2.937 372 T HA 0.048 4.398 4.350 -0.000 0.000 0.260 372 T C 2.292 176.997 174.700 0.009 0.000 1.051 372 T CA 2.533 64.639 62.100 0.010 0.000 1.141 372 T CB -0.456 68.425 68.868 0.021 0.000 0.879 372 T HN 0.650 nan 8.240 nan 0.000 0.459 373 T N 3.239 117.805 114.554 0.021 0.000 2.674 373 T HA -0.001 4.349 4.350 -0.000 0.000 0.265 373 T C -0.403 174.276 174.700 -0.034 0.000 1.039 373 T CA 1.409 63.501 62.100 -0.013 0.000 1.150 373 T CB -1.359 67.505 68.868 -0.006 0.000 0.864 373 T HN 0.425 nan 8.240 nan 0.000 0.427 374 P HA 0.041 nan 4.420 nan 0.000 0.225 374 P C 1.307 178.579 177.300 -0.046 0.000 1.148 374 P CA 0.724 63.817 63.100 -0.012 0.000 0.779 374 P CB -0.175 31.530 31.700 0.008 0.000 0.780 375 V N -0.806 119.071 119.914 -0.060 0.000 2.878 375 V HA -0.085 4.035 4.120 -0.000 0.000 0.250 375 V C 2.839 178.833 176.094 -0.167 0.000 1.075 375 V CA 1.222 63.465 62.300 -0.096 0.000 1.096 375 V CB -1.083 30.698 31.823 -0.071 0.000 0.724 375 V HN 0.216 nan 8.190 nan 0.000 0.467 376 C N 0.474 119.678 119.300 -0.159 0.000 2.475 376 C HA -0.063 4.397 4.460 -0.000 0.000 0.279 376 C C 2.835 177.426 174.990 -0.664 0.000 1.322 376 C CA 1.373 60.228 59.018 -0.272 0.000 1.734 376 C CB -0.284 27.433 27.740 -0.039 0.000 2.005 376 C HN 0.681 nan 8.230 nan 0.000 0.495 377 E N 0.639 120.608 120.200 -0.386 0.000 2.118 377 E HA -0.158 4.192 4.350 -0.000 0.000 0.195 377 E C 2.065 178.400 176.600 -0.441 0.000 0.992 377 E CA 2.402 58.599 56.400 -0.338 0.000 0.804 377 E CB -0.465 29.279 29.700 0.073 0.000 0.741 377 E HN 0.620 nan 8.360 nan 0.000 0.458 378 T N 0.653 115.040 114.554 -0.279 0.000 2.674 378 T HA -0.091 4.259 4.350 -0.000 0.000 0.265 378 T C 1.916 176.430 174.700 -0.310 0.000 1.039 378 T CA 1.512 63.497 62.100 -0.192 0.000 1.150 378 T CB -0.289 68.470 68.868 -0.182 0.000 0.864 378 T HN 0.150 nan 8.240 nan 0.000 0.427 379 I N 1.128 121.450 120.570 -0.414 0.000 2.099 379 I HA -0.154 4.016 4.170 -0.000 0.000 0.239 379 I C 2.959 178.838 176.117 -0.396 0.000 1.066 379 I CA 1.485 62.565 61.300 -0.366 0.000 1.324 379 I CB -0.969 36.844 38.000 -0.312 0.000 1.037 379 I HN 0.338 nan 8.210 nan 0.000 0.401 380 G N 0.068 108.398 108.800 -0.784 0.000 2.513 380 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 380 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 380 G C 1.753 176.396 174.900 -0.428 0.000 1.160 380 G CA 1.319 45.926 45.100 -0.822 0.000 0.767 380 G HN 0.382 nan 8.290 nan 0.000 0.571 381 S N -0.511 114.922 115.700 -0.445 0.000 2.335 381 S HA -0.034 4.436 4.470 -0.000 0.000 0.217 381 S C 1.943 176.441 174.600 -0.170 0.000 1.032 381 S CA 0.794 58.870 58.200 -0.207 0.000 0.985 381 S CB -0.551 62.559 63.200 -0.150 0.000 0.896 381 S HN 0.551 nan 8.310 nan 0.000 0.445 382 H N 1.171 120.121 119.070 -0.201 0.000 2.289 382 H HA -0.127 4.429 4.556 -0.000 0.000 0.294 382 H C 2.188 177.484 175.328 -0.053 0.000 1.095 382 H CA 1.733 57.763 56.048 -0.030 0.000 1.256 382 H CB -0.412 29.387 29.762 0.061 0.000 1.359 382 H HN 0.236 nan 8.280 nan 0.000 0.487 383 L N -0.033 121.228 121.223 0.063 0.000 1.971 383 L HA -0.247 4.093 4.340 -0.000 0.000 0.215 383 L C 2.731 179.593 176.870 -0.012 0.000 1.072 383 L CA 0.758 55.612 54.840 0.024 0.000 0.758 383 L CB -0.462 41.597 42.059 0.001 0.000 0.889 383 L HN 0.193 nan 8.230 nan 0.000 0.433 384 L N 0.096 121.295 121.223 -0.039 0.000 2.043 384 L HA -0.256 4.084 4.340 -0.000 0.000 0.212 384 L C 2.237 179.040 176.870 -0.110 0.000 1.075 384 L CA 1.901 56.719 54.840 -0.036 0.000 0.752 384 L CB -0.886 41.175 42.059 0.004 0.000 0.891 384 L HN 0.360 nan 8.230 nan 0.000 0.432 385 N N -2.391 116.130 118.700 -0.298 0.000 2.428 385 N HA -0.055 4.685 4.740 -0.000 0.000 0.181 385 N C 1.521 176.803 175.510 -0.379 0.000 1.028 385 N CA 0.985 53.723 53.050 -0.520 0.000 0.877 385 N CB -0.118 37.587 38.487 -1.303 0.000 1.064 385 N HN 0.348 nan 8.380 nan 0.000 0.434 386 Y N 0.162 120.383 120.300 -0.132 0.000 2.462 386 Y HA 0.344 4.894 4.550 -0.000 0.000 0.261 386 Y C 1.509 177.393 175.900 -0.027 0.000 1.146 386 Y CA -0.055 58.009 58.100 -0.061 0.000 1.283 386 Y CB -0.039 38.351 38.460 -0.117 0.000 1.090 386 Y HN 0.090 nan 8.280 nan 0.000 0.526 387 G N 1.451 110.308 108.800 0.096 0.000 2.176 387 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.252 387 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.252 387 G C 0.164 175.103 174.900 0.064 0.000 1.024 387 G CA 0.502 45.643 45.100 0.068 0.000 0.755 387 G HN 0.602 nan 8.290 nan 0.000 0.507 388 R N -3.307 117.244 120.500 0.085 0.000 3.110 388 R HA 0.577 4.916 4.340 -0.000 0.000 0.287 388 R C -0.953 175.408 176.300 0.101 0.000 0.969 388 R CA -0.980 55.151 56.100 0.053 0.000 0.828 388 R CB 0.273 30.582 30.300 0.015 0.000 1.354 388 R HN 0.386 nan 8.270 nan 0.000 0.524 389 R N 1.206 121.725 120.500 0.031 0.000 2.486 389 R HA 0.607 4.947 4.340 -0.000 0.000 0.286 389 R C -0.881 175.404 176.300 -0.024 0.000 0.999 389 R CA -0.541 55.578 56.100 0.032 0.000 0.993 389 R CB 1.018 31.244 30.300 -0.122 0.000 1.084 389 R HN 0.636 nan 8.270 nan 0.000 0.487 390 I N 3.684 124.279 120.570 0.041 0.000 2.410 390 I HA 0.239 4.409 4.170 -0.000 0.000 0.286 390 I C -0.056 175.824 176.117 -0.395 0.000 1.009 390 I CA -0.840 60.242 61.300 -0.363 0.000 1.111 390 I CB 1.814 39.263 38.000 -0.918 0.000 1.262 390 I HN 0.806 nan 8.210 nan 0.000 0.443 391 S N 6.002 121.502 115.700 -0.333 0.000 2.585 391 S HA 0.321 4.791 4.470 -0.000 0.000 0.273 391 S C 1.154 175.649 174.600 -0.175 0.000 1.339 391 S CA -0.664 57.405 58.200 -0.220 0.000 1.028 391 S CB 1.238 64.339 63.200 -0.164 0.000 0.906 391 S HN 0.615 nan 8.310 nan 0.000 0.528 392 L N 0.856 122.059 121.223 -0.032 0.000 2.127 392 L HA -0.147 4.193 4.340 -0.000 0.000 0.211 392 L C 2.886 179.784 176.870 0.046 0.000 1.089 392 L CA 2.039 56.941 54.840 0.104 0.000 0.757 392 L CB -0.724 41.386 42.059 0.086 0.000 0.899 392 L HN 0.958 nan 8.230 nan 0.000 0.434 393 E N 0.438 120.607 120.200 -0.052 0.000 2.118 393 E HA -0.294 4.056 4.350 -0.000 0.000 0.195 393 E C 2.043 178.620 176.600 -0.038 0.000 0.992 393 E CA 1.604 57.962 56.400 -0.070 0.000 0.804 393 E CB 0.060 29.704 29.700 -0.094 0.000 0.741 393 E HN 0.500 nan 8.360 nan 0.000 0.458 394 E N -0.322 119.826 120.200 -0.086 0.000 2.021 394 E HA -0.149 4.201 4.350 -0.000 0.000 0.189 394 E C 1.825 178.448 176.600 0.037 0.000 0.980 394 E CA 0.893 57.228 56.400 -0.108 0.000 0.803 394 E CB -0.352 29.175 29.700 -0.288 0.000 0.766 394 E HN 0.436 nan 8.360 nan 0.000 0.449 395 W N 1.724 123.023 121.300 -0.001 0.000 2.290 395 W HA -0.283 4.377 4.660 -0.000 0.000 0.318 395 W C 2.327 178.869 176.519 0.040 0.000 1.248 395 W CA 0.829 58.187 57.345 0.022 0.000 1.263 395 W CB -0.247 29.238 29.460 0.041 0.000 1.147 395 W HN 0.296 nan 8.180 nan 0.000 0.494 396 D N -0.341 120.245 120.400 0.310 0.000 2.178 396 D HA -0.194 4.446 4.640 -0.000 0.000 0.201 396 D C 2.175 178.573 176.300 0.164 0.000 0.980 396 D CA 1.677 55.811 54.000 0.223 0.000 0.842 396 D CB -0.195 40.721 40.800 0.192 0.000 0.948 396 D HN 0.102 nan 8.370 nan 0.000 0.472 397 S N -0.105 115.670 115.700 0.124 0.000 2.368 397 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 397 S C 2.047 176.710 174.600 0.105 0.000 1.029 397 S CA 0.854 59.107 58.200 0.088 0.000 0.988 397 S CB 0.024 63.251 63.200 0.046 0.000 0.838 397 S HN 0.249 nan 8.310 nan 0.000 0.462 398 R N 0.347 120.934 120.500 0.146 0.000 2.066 398 R HA 0.124 4.464 4.340 -0.000 0.000 0.232 398 R C 2.369 178.756 176.300 0.144 0.000 1.131 398 R CA 1.697 57.891 56.100 0.158 0.000 0.955 398 R CB -0.521 29.927 30.300 0.246 0.000 0.851 398 R HN 0.444 nan 8.270 nan 0.000 0.432 399 I N 0.767 121.435 120.570 0.163 0.000 2.335 399 I HA -0.262 3.908 4.170 -0.000 0.000 0.251 399 I C 1.768 177.945 176.117 0.099 0.000 1.129 399 I CA 1.251 62.624 61.300 0.121 0.000 1.402 399 I CB -0.204 37.867 38.000 0.119 0.000 1.069 399 I HN 0.120 nan 8.210 nan 0.000 0.424 400 S N 0.656 116.418 115.700 0.104 0.000 2.461 400 S HA 0.039 4.509 4.470 -0.000 0.000 0.228 400 S C 2.083 176.724 174.600 0.069 0.000 1.005 400 S CA 0.878 59.129 58.200 0.085 0.000 0.942 400 S CB -0.034 63.220 63.200 0.090 0.000 0.776 400 S HN 0.524 nan 8.310 nan 0.000 0.514 401 A N 1.172 124.034 122.820 0.070 0.000 2.119 401 A HA 0.226 4.546 4.320 -0.000 0.000 0.216 401 A C 0.932 178.547 177.584 0.052 0.000 1.152 401 A CA 0.185 52.256 52.037 0.057 0.000 0.708 401 A CB -0.242 18.793 19.000 0.058 0.000 0.805 401 A HN 0.278 nan 8.150 nan 0.000 0.460 402 V N 2.804 122.752 119.914 0.058 0.000 2.572 402 V HA 0.276 4.396 4.120 -0.000 0.000 0.291 402 V C -0.108 176.012 176.094 0.044 0.000 1.039 402 V CA -0.055 62.276 62.300 0.051 0.000 1.055 402 V CB 0.656 32.513 31.823 0.057 0.000 0.969 402 V HN 0.680 nan 8.190 nan 0.000 0.482 403 D N 3.666 124.088 120.400 0.036 0.000 2.610 403 D HA 0.522 5.162 4.640 -0.000 0.000 0.271 403 D C 0.671 176.987 176.300 0.026 0.000 1.174 403 D CA -0.030 53.989 54.000 0.031 0.000 0.949 403 D CB 2.150 42.966 40.800 0.027 0.000 1.430 403 D HN 0.425 nan 8.370 nan 0.000 0.467 404 A N 1.035 123.869 122.820 0.023 0.000 1.848 404 A HA -0.284 4.036 4.320 -0.000 0.000 0.217 404 A C 2.093 179.685 177.584 0.014 0.000 1.220 404 A CA 2.355 54.404 52.037 0.019 0.000 0.645 404 A CB -0.882 18.128 19.000 0.017 0.000 0.842 404 A HN 0.666 nan 8.150 nan 0.000 0.451 405 R N -0.688 119.819 120.500 0.012 0.000 2.165 405 R HA -0.254 4.086 4.340 -0.000 0.000 0.254 405 R C 2.192 178.496 176.300 0.007 0.000 1.153 405 R CA 2.524 58.629 56.100 0.007 0.000 0.971 405 R CB -0.707 29.598 30.300 0.008 0.000 0.878 405 R HN 0.715 nan 8.270 nan 0.000 0.449 406 M N -0.426 119.182 119.600 0.013 0.000 2.123 406 M HA -0.139 4.341 4.480 -0.000 0.000 0.263 406 M C 2.148 178.454 176.300 0.009 0.000 1.069 406 M CA 1.427 56.736 55.300 0.014 0.000 1.133 406 M CB 0.025 32.639 32.600 0.022 0.000 1.356 406 M HN -0.041 nan 8.290 nan 0.000 0.415 407 V N 0.797 120.718 119.914 0.012 0.000 2.332 407 V HA -0.315 3.805 4.120 -0.000 0.000 0.248 407 V C 2.375 178.465 176.094 -0.007 0.000 1.055 407 V CA 2.024 64.327 62.300 0.006 0.000 1.038 407 V CB -0.963 30.872 31.823 0.019 0.000 0.651 407 V HN 0.486 nan 8.190 nan 0.000 0.450 408 R N -0.112 120.386 120.500 -0.003 0.000 2.073 408 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 408 R C 2.140 178.427 176.300 -0.022 0.000 1.134 408 R CA 1.840 57.933 56.100 -0.012 0.000 0.952 408 R CB -0.561 29.733 30.300 -0.010 0.000 0.850 408 R HN 0.548 nan 8.270 nan 0.000 0.433 409 D N 0.174 120.565 120.400 -0.016 0.000 2.117 409 D HA -0.122 4.518 4.640 -0.000 0.000 0.197 409 D C 2.030 178.325 176.300 -0.009 0.000 0.987 409 D CA 1.044 55.033 54.000 -0.018 0.000 0.829 409 D CB -0.240 40.555 40.800 -0.009 0.000 0.961 409 D HN 0.015 nan 8.370 nan 0.000 0.460 410 V N 0.866 120.782 119.914 0.003 0.000 2.261 410 V HA -0.266 3.854 4.120 -0.000 0.000 0.246 410 V C 2.788 178.893 176.094 0.019 0.000 1.047 410 V CA 1.397 63.718 62.300 0.036 0.000 1.015 410 V CB -0.627 31.190 31.823 -0.009 0.000 0.642 410 V HN 0.279 nan 8.190 nan 0.000 0.446 411 C N -0.130 119.125 119.300 -0.075 0.000 2.413 411 C HA -0.163 4.297 4.460 -0.000 0.000 0.276 411 C C 3.149 178.085 174.990 -0.090 0.000 1.248 411 C CA 1.458 60.380 59.018 -0.159 0.000 1.742 411 C CB -1.204 26.454 27.740 -0.137 0.000 2.017 411 C HN 0.620 nan 8.230 nan 0.000 0.481 412 S N 0.424 116.103 115.700 -0.035 0.000 2.359 412 S HA -0.248 4.222 4.470 -0.000 0.000 0.224 412 S C 1.902 176.497 174.600 -0.009 0.000 1.035 412 S CA 1.774 59.975 58.200 0.003 0.000 1.018 412 S CB -0.402 62.762 63.200 -0.059 0.000 0.876 412 S HN 0.730 nan 8.310 nan 0.000 0.448 413 K N -0.200 120.165 120.400 -0.058 0.000 2.152 413 K HA -0.136 4.184 4.320 -0.000 0.000 0.206 413 K C 1.356 177.758 176.600 -0.330 0.000 1.048 413 K CA 1.409 57.596 56.287 -0.168 0.000 0.933 413 K CB -0.150 32.245 32.500 -0.175 0.000 0.721 413 K HN 0.424 nan 8.250 nan 0.000 0.447 414 Y N -0.620 119.548 120.300 -0.221 0.000 2.481 414 Y HA 0.201 4.751 4.550 -0.000 0.000 0.258 414 Y C 1.597 177.297 175.900 -0.334 0.000 1.103 414 Y CA 0.115 58.029 58.100 -0.309 0.000 1.287 414 Y CB 0.559 38.732 38.460 -0.479 0.000 1.108 414 Y HN -0.022 nan 8.280 nan 0.000 0.529 415 I N -2.832 117.634 120.570 -0.173 0.000 3.443 415 I HA -0.034 4.136 4.170 -0.000 0.000 0.277 415 I C 0.057 176.168 176.117 -0.009 0.000 1.169 415 I CA -0.192 60.994 61.300 -0.190 0.000 1.419 415 I CB -0.073 37.712 38.000 -0.360 0.000 1.331 415 I HN -0.169 nan 8.210 nan 0.000 0.458 416 Y N 4.016 124.289 120.300 -0.045 0.000 2.802 416 Y HA -0.174 4.376 4.550 -0.000 0.000 0.333 416 Y C 0.923 176.852 175.900 0.048 0.000 1.244 416 Y CA 0.687 58.809 58.100 0.036 0.000 1.558 416 Y CB -0.117 38.359 38.460 0.028 0.000 1.233 416 Y HN 0.227 nan 8.280 nan 0.000 0.547 417 D N 2.030 122.162 120.400 -0.447 0.000 2.983 417 D HA -0.237 4.403 4.640 -0.000 0.000 0.225 417 D C -0.524 175.746 176.300 -0.050 0.000 1.174 417 D CA 0.802 54.662 54.000 -0.233 0.000 0.831 417 D CB -0.461 40.204 40.800 -0.224 0.000 1.104 417 D HN 0.375 nan 8.370 nan 0.000 0.421 418 K N -0.354 120.044 120.400 -0.004 0.000 2.090 418 K HA 0.416 4.736 4.320 -0.000 0.000 0.250 418 K C 0.163 176.829 176.600 0.110 0.000 1.004 418 K CA -0.372 55.945 56.287 0.049 0.000 0.919 418 K CB 1.060 33.584 32.500 0.040 0.000 1.045 418 K HN 0.153 nan 8.250 nan 0.000 0.471 419 C N 3.963 123.364 119.300 0.167 0.000 2.225 419 C HA 0.323 4.783 4.460 -0.000 0.000 0.328 419 C C -1.574 173.608 174.990 0.321 0.000 1.187 419 C CA -1.438 57.726 59.018 0.244 0.000 1.665 419 C CB -0.054 27.831 27.740 0.241 0.000 2.253 419 C HN 0.563 nan 8.230 nan 0.000 0.497 420 P HA 0.430 nan 4.420 nan 0.000 0.277 420 P C -0.808 176.672 177.300 0.300 0.000 1.271 420 P CA -0.079 63.216 63.100 0.325 0.000 0.795 420 P CB 1.021 32.861 31.700 0.233 0.000 1.101 421 A N 0.874 123.832 122.820 0.231 0.000 2.318 421 A HA 0.598 4.918 4.320 -0.000 0.000 0.324 421 A C -0.967 176.645 177.584 0.048 0.000 1.170 421 A CA -0.573 51.489 52.037 0.042 0.000 0.810 421 A CB 0.248 19.177 19.000 -0.118 0.000 1.198 421 A HN 0.521 nan 8.150 nan 0.000 0.484 422 L N 2.467 123.714 121.223 0.041 0.000 2.362 422 L HA 0.850 5.190 4.340 -0.000 0.000 0.275 422 L C -0.191 176.660 176.870 -0.032 0.000 0.998 422 L CA -0.144 54.695 54.840 -0.001 0.000 0.820 422 L CB 1.765 43.860 42.059 0.060 0.000 1.270 422 L HN 0.887 nan 8.230 nan 0.000 0.415 423 A N 4.315 127.099 122.820 -0.059 0.000 2.343 423 A HA 0.958 5.278 4.320 -0.000 0.000 0.308 423 A C -1.019 176.547 177.584 -0.029 0.000 1.092 423 A CA -0.001 52.018 52.037 -0.030 0.000 0.751 423 A CB 1.323 20.327 19.000 0.006 0.000 1.203 423 A HN 1.174 nan 8.150 nan 0.000 0.452 424 A N 2.010 124.826 122.820 -0.007 0.000 2.374 424 A HA 0.747 5.067 4.320 -0.000 0.000 0.305 424 A C -1.054 176.561 177.584 0.051 0.000 1.053 424 A CA -0.464 51.576 52.037 0.005 0.000 0.726 424 A CB 1.391 20.384 19.000 -0.012 0.000 1.229 424 A HN 1.321 nan 8.150 nan 0.000 0.431 425 V N 1.462 121.429 119.914 0.089 0.000 2.789 425 V HA 0.920 5.040 4.120 -0.000 0.000 0.311 425 V C 0.666 176.824 176.094 0.106 0.000 1.073 425 V CA 0.461 62.828 62.300 0.112 0.000 0.921 425 V CB 1.104 33.013 31.823 0.142 0.000 1.009 425 V HN 2.392 nan 8.190 nan 0.000 0.426 426 G N 4.870 113.721 108.800 0.085 0.000 2.384 426 G HA2 -0.026 3.934 3.960 -0.000 0.000 0.204 426 G HA3 -0.026 3.934 3.960 -0.000 0.000 0.204 426 G C -2.906 172.032 174.900 0.064 0.000 1.237 426 G CA -0.272 44.878 45.100 0.082 0.000 1.060 426 G HN 0.636 nan 8.290 nan 0.000 0.514 427 P HA 0.241 nan 4.420 nan 0.000 0.226 427 P C 1.142 178.474 177.300 0.053 0.000 1.783 427 P CA 0.072 63.203 63.100 0.051 0.000 0.980 427 P CB -1.062 30.668 31.700 0.050 0.000 1.967 428 I N -2.407 118.193 120.570 0.049 0.000 3.749 428 I HA 0.115 4.285 4.170 -0.000 0.000 0.314 428 I C 1.647 177.787 176.117 0.039 0.000 1.278 428 I CA -0.088 61.242 61.300 0.050 0.000 1.158 428 I CB -0.654 37.372 38.000 0.043 0.000 1.018 428 I HN 0.034 nan 8.210 nan 0.000 0.435 429 E N 1.839 122.058 120.200 0.032 0.000 2.171 429 E HA -0.314 4.036 4.350 -0.000 0.000 0.197 429 E C 2.125 178.738 176.600 0.023 0.000 0.997 429 E CA 1.459 57.873 56.400 0.023 0.000 0.810 429 E CB -0.029 29.682 29.700 0.018 0.000 0.738 429 E HN 0.736 nan 8.360 nan 0.000 0.467 430 Q N 0.098 119.915 119.800 0.028 0.000 2.378 430 Q HA -0.047 4.293 4.340 -0.000 0.000 0.205 430 Q C 0.187 176.204 176.000 0.029 0.000 0.954 430 Q CA 0.059 55.875 55.803 0.022 0.000 0.901 430 Q CB 0.166 28.915 28.738 0.018 0.000 0.981 430 Q HN 0.199 nan 8.270 nan 0.000 0.483 431 L N 1.299 122.550 121.223 0.046 0.000 2.265 431 L HA 0.454 4.794 4.340 -0.000 0.000 0.288 431 L C -1.237 175.656 176.870 0.038 0.000 1.058 431 L CA -0.002 54.873 54.840 0.057 0.000 0.809 431 L CB 0.931 43.038 42.059 0.080 0.000 1.179 431 L HN 0.019 nan 8.230 nan 0.000 0.429 432 L N 3.578 124.819 121.223 0.030 0.000 2.502 432 L HA 0.547 4.887 4.340 -0.000 0.000 0.253 432 L C -1.213 175.672 176.870 0.025 0.000 1.070 432 L CA -0.497 54.359 54.840 0.026 0.000 0.871 432 L CB 1.747 43.818 42.059 0.019 0.000 1.487 432 L HN 0.786 nan 8.230 nan 0.000 0.408 433 D N 0.288 120.710 120.400 0.037 0.000 5.198 433 D HA -0.310 4.330 4.640 -0.000 0.000 0.241 433 D C 0.246 176.579 176.300 0.054 0.000 1.233 433 D CA 1.014 55.045 54.000 0.052 0.000 1.361 433 D CB -0.112 40.709 40.800 0.034 0.000 0.741 433 D HN 0.535 nan 8.370 nan 0.000 0.388 434 Y N 4.569 124.869 120.300 -0.001 0.000 2.207 434 Y HA -0.224 4.326 4.550 -0.000 0.000 0.287 434 Y C 2.004 177.912 175.900 0.013 0.000 1.156 434 Y CA 2.246 60.346 58.100 -0.001 0.000 1.182 434 Y CB -0.116 38.337 38.460 -0.012 0.000 0.979 434 Y HN 0.497 nan 8.280 nan 0.000 0.521 435 N N 0.169 118.924 118.700 0.093 0.000 2.069 435 N HA -0.189 4.551 4.740 -0.000 0.000 0.191 435 N C 1.840 177.330 175.510 -0.033 0.000 1.031 435 N CA 1.426 54.504 53.050 0.048 0.000 0.852 435 N CB -0.243 38.291 38.487 0.079 0.000 1.018 435 N HN 0.330 nan 8.380 nan 0.000 0.423 436 R N 0.915 121.395 120.500 -0.034 0.000 2.092 436 R HA 0.053 4.393 4.340 -0.000 0.000 0.231 436 R C 2.306 178.552 176.300 -0.090 0.000 1.119 436 R CA 0.466 56.541 56.100 -0.041 0.000 0.970 436 R CB -0.756 29.534 30.300 -0.016 0.000 0.864 436 R HN 0.390 nan 8.270 nan 0.000 0.440 437 I N 0.246 120.725 120.570 -0.152 0.000 2.353 437 I HA -0.207 3.963 4.170 -0.000 0.000 0.248 437 I C 2.548 178.519 176.117 -0.242 0.000 1.119 437 I CA 0.920 62.103 61.300 -0.195 0.000 1.417 437 I CB -0.249 37.599 38.000 -0.252 0.000 1.078 437 I HN 0.014 nan 8.210 nan 0.000 0.421 438 R N 1.402 121.695 120.500 -0.345 0.000 2.096 438 R HA -0.100 4.240 4.340 -0.000 0.000 0.235 438 R C 2.099 178.375 176.300 -0.041 0.000 1.127 438 R CA 1.775 57.740 56.100 -0.224 0.000 0.968 438 R CB -0.479 29.710 30.300 -0.186 0.000 0.861 438 R HN 0.179 nan 8.270 nan 0.000 0.440 439 S N -0.849 114.808 115.700 -0.071 0.000 2.515 439 S HA 0.055 4.525 4.470 -0.000 0.000 0.231 439 S C 1.485 175.812 174.600 -0.455 0.000 0.987 439 S CA 0.783 58.869 58.200 -0.190 0.000 0.936 439 S CB 0.303 63.438 63.200 -0.108 0.000 0.766 439 S HN 0.616 nan 8.310 nan 0.000 0.528 440 G N 0.579 109.235 108.800 -0.241 0.000 3.088 440 G HA2 0.076 4.036 3.960 -0.000 0.000 0.212 440 G HA3 0.076 4.036 3.960 -0.000 0.000 0.212 440 G C 0.847 175.654 174.900 -0.155 0.000 1.173 440 G CA -0.061 44.911 45.100 -0.214 0.000 0.779 440 G HN 0.330 nan 8.290 nan 0.000 0.540 441 M N 0.353 119.873 119.600 -0.133 0.000 2.505 441 M HA 0.307 4.787 4.480 -0.000 0.000 0.230 441 M C -0.340 175.895 176.300 -0.109 0.000 1.153 441 M CA -0.207 55.085 55.300 -0.014 0.000 0.997 441 M CB -1.000 31.634 32.600 0.056 0.000 1.606 441 M HN 0.463 nan 8.290 nan 0.000 0.481 442 Y N -4.456 115.739 120.300 -0.174 0.000 2.624 442 Y HA 0.496 5.046 4.550 -0.000 0.000 0.334 442 Y C -0.868 175.189 175.900 0.261 0.000 1.155 442 Y CA -2.210 55.753 58.100 -0.228 0.000 1.046 442 Y CB 0.300 38.511 38.460 -0.414 0.000 1.316 442 Y HN 0.232 nan 8.280 nan 0.000 0.457 443 W N 2.634 124.170 121.300 0.394 0.000 3.086 443 W HA -0.115 4.545 4.660 -0.000 0.000 0.453 443 W C 0.412 177.001 176.519 0.116 0.000 1.846 443 W CA 0.118 57.618 57.345 0.259 0.000 0.461 443 W CB -0.686 28.884 29.460 0.183 0.000 2.859 443 W HN 1.108 nan 8.180 nan 0.000 0.420 444 I N 0.000 120.619 120.570 0.082 0.000 2.984 444 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 444 I CA 0.000 61.222 61.300 -0.130 0.000 1.566 444 I CB 0.000 37.865 38.000 -0.225 0.000 1.214 444 I HN 0.000 nan 8.210 nan 0.000 0.494