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 3irm_1_A DATA FIRST_RESID 1 DATA SEQUENCE MSLFKIRMPE TVAEGTRLAL RAFSLVVAVD EHGGIGDGRS IPWNVPEDMK DATA SEQUENCE FFRDLTTKLR GKNVKPSPAK RNAVVMGRKT WDSIPPKFRP LPGRLNVVLS DATA SEQUENCE STLTTQHLLD GLPDEEKRNL HADSIVAVNG GLEQALRLLA SPNYTPSIET DATA SEQUENCE VYCIGGGSVY AEALRPPCVH LLQAIYRTTI RASESSCSVF FRVPESGTEA DATA SEQUENCE AAGIEWQRET ISEELTSANG NETKYYFEKL IPRNREEEQY LSLVDRIIRE DATA SEQUENCE GNVKHDRTGV GTLSIFGAQM RFSLRNNRLP LLTTKRVFWR GVCEELLWFL DATA SEQUENCE RGETYAKKLS DKGVHIWDDN GSRAFLDSRG LTEYEEMDLG PVYGFQWRHF DATA SEQUENCE GAAYTHHDAN YDGQGVDQIK AIVETLKTNP DDRRMLFTAW NPSALPRMAL DATA SEQUENCE PPCHLLAQFY VSNGELSCML YQRSCDMGLG VPFNIASYAL LTILIAKATG DATA SEQUENCE LRPGELVHTL GDAHVYSNHV EPCNEQLKRV PRAFPYLVFR REREFLEDYE DATA SEQUENCE EGDMEVIDYA PYPPISMKMA 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 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.254 176.300 -0.077 0.000 1.140 1 M CA 0.000 55.356 55.300 0.094 0.000 0.988 1 M CB 0.000 32.684 32.600 0.140 0.000 1.302 2 S N 1.557 117.057 115.700 -0.333 0.000 4.068 2 S HA -0.314 3.491 4.470 -1.107 0.000 0.537 2 S C 1.199 175.685 174.600 -0.190 0.000 1.015 2 S CA 2.498 60.477 58.200 -0.369 0.000 3.453 2 S CB -1.214 61.913 63.200 -0.122 0.000 2.268 2 S HN 0.596 nan 8.310 nan 0.000 0.463 3 L N 0.054 121.154 121.223 -0.206 0.000 2.362 3 L HA -0.041 3.635 4.340 -1.107 0.000 0.219 3 L C 1.972 178.730 176.870 -0.187 0.000 1.134 3 L CA 1.023 55.740 54.840 -0.205 0.000 0.807 3 L CB -0.389 41.487 42.059 -0.305 0.000 0.927 3 L HN 0.322 nan 8.230 nan 0.000 0.447 4 F N -0.102 119.816 119.950 -0.054 0.000 2.512 4 F HA 0.033 3.896 4.527 -1.107 0.000 0.296 4 F C 1.398 177.164 175.800 -0.056 0.000 1.110 4 F CA 0.318 58.295 58.000 -0.038 0.000 1.446 4 F CB -0.209 38.773 39.000 -0.030 0.000 1.092 4 F HN -0.100 nan 8.300 nan 0.000 0.554 5 K N 0.295 120.720 120.400 0.041 0.000 2.090 5 K HA 0.494 4.150 4.320 -1.107 0.000 0.249 5 K C -0.431 176.242 176.600 0.121 0.000 0.995 5 K CA -0.635 55.644 56.287 -0.013 0.000 0.914 5 K CB 1.466 33.764 32.500 -0.337 0.000 1.057 5 K HN -0.137 nan 8.250 nan 0.000 0.462 6 I N 2.204 122.894 120.570 0.200 0.000 2.297 6 I HA 0.192 3.698 4.170 -1.107 0.000 0.291 6 I C 0.309 176.626 176.117 0.332 0.000 1.033 6 I CA -0.507 60.917 61.300 0.207 0.000 1.253 6 I CB 0.977 39.041 38.000 0.107 0.000 1.396 6 I HN 0.411 nan 8.210 nan 0.000 0.476 7 R N 6.849 127.512 120.500 0.272 0.000 2.389 7 R HA 0.313 3.989 4.340 -1.107 0.000 0.295 7 R C -0.359 175.914 176.300 -0.045 0.000 1.075 7 R CA -0.580 55.541 56.100 0.034 0.000 1.005 7 R CB 0.663 30.949 30.300 -0.024 0.000 0.987 7 R HN 0.460 nan 8.270 nan 0.000 0.452 8 M N 5.802 125.328 119.600 -0.122 0.000 2.235 8 M HA 0.287 4.103 4.480 -1.107 0.000 0.351 8 M C -1.864 174.379 176.300 -0.094 0.000 1.178 8 M CA -2.519 52.739 55.300 -0.071 0.000 1.143 8 M CB 0.649 33.230 32.600 -0.031 0.000 1.530 8 M HN 0.560 nan 8.290 nan 0.000 0.461 9 P HA 0.191 nan 4.420 nan 0.000 0.276 9 P C -0.053 177.208 177.300 -0.065 0.000 1.252 9 P CA -0.241 62.819 63.100 -0.066 0.000 0.802 9 P CB 0.486 32.153 31.700 -0.056 0.000 1.035 10 E N -0.339 119.826 120.200 -0.057 0.000 2.209 10 E HA -0.166 3.519 4.350 -1.107 0.000 0.196 10 E C 1.165 177.740 176.600 -0.042 0.000 0.993 10 E CA 1.659 58.029 56.400 -0.050 0.000 0.819 10 E CB -1.117 28.558 29.700 -0.042 0.000 0.745 10 E HN 0.526 nan 8.360 nan 0.000 0.477 11 T N -1.195 113.334 114.554 -0.042 0.000 3.148 11 T HA 0.094 3.780 4.350 -1.107 0.000 0.253 11 T C 1.743 176.416 174.700 -0.045 0.000 1.134 11 T CA 0.326 62.404 62.100 -0.037 0.000 1.051 11 T CB 0.255 69.102 68.868 -0.035 0.000 0.959 11 T HN 0.112 nan 8.240 nan 0.000 0.525 12 V N 1.836 121.718 119.914 -0.054 0.000 2.280 12 V HA -0.318 3.138 4.120 -1.107 0.000 0.258 12 V C 2.701 178.747 176.094 -0.080 0.000 1.081 12 V CA 2.597 64.856 62.300 -0.068 0.000 1.070 12 V CB -1.296 30.498 31.823 -0.048 0.000 0.666 12 V HN 0.718 nan 8.190 nan 0.000 0.450 13 A N -1.512 121.280 122.820 -0.047 0.000 1.943 13 A HA -0.069 3.587 4.320 -1.107 0.000 0.213 13 A C 2.099 179.676 177.584 -0.011 0.000 1.181 13 A CA 1.205 53.226 52.037 -0.027 0.000 0.653 13 A CB -0.620 18.383 19.000 0.004 0.000 0.833 13 A HN 0.719 nan 8.150 nan 0.000 0.451 14 E N -0.042 120.150 120.200 -0.013 0.000 2.164 14 E HA -0.263 3.423 4.350 -1.107 0.000 0.233 14 E C 1.409 178.011 176.600 0.003 0.000 1.073 14 E CA 1.616 58.013 56.400 -0.004 0.000 0.941 14 E CB -0.572 29.121 29.700 -0.012 0.000 0.820 14 E HN 0.449 nan 8.360 nan 0.000 0.486 15 G N -1.268 107.528 108.800 -0.007 0.000 3.574 15 G HA2 0.134 3.429 3.960 -1.107 0.000 0.262 15 G HA3 0.134 3.429 3.960 -1.107 0.000 0.262 15 G C 0.188 175.099 174.900 0.017 0.000 1.231 15 G CA 0.402 45.505 45.100 0.005 0.000 1.608 15 G HN 0.274 nan 8.290 nan 0.000 0.628 16 T N -1.289 113.286 114.554 0.035 0.000 3.270 16 T HA 0.153 3.839 4.350 -1.107 0.000 0.279 16 T C 0.979 175.743 174.700 0.107 0.000 0.857 16 T CA -0.632 61.515 62.100 0.078 0.000 0.849 16 T CB 0.456 69.363 68.868 0.065 0.000 1.241 16 T HN 0.336 nan 8.240 nan 0.000 0.663 17 R N 2.086 122.632 120.500 0.077 0.000 2.522 17 R HA 0.217 3.893 4.340 -1.107 0.000 0.284 17 R C -0.396 175.947 176.300 0.071 0.000 1.032 17 R CA -0.296 55.850 56.100 0.077 0.000 1.049 17 R CB 0.110 30.442 30.300 0.054 0.000 0.956 17 R HN 0.092 nan 8.270 nan 0.000 0.422 18 L N 4.923 126.187 121.223 0.069 0.000 2.477 18 L HA 0.060 3.735 4.340 -1.107 0.000 0.272 18 L C 0.788 177.677 176.870 0.032 0.000 1.157 18 L CA 0.823 55.691 54.840 0.047 0.000 0.889 18 L CB 1.016 43.092 42.059 0.027 0.000 1.158 18 L HN 0.845 nan 8.230 nan 0.000 0.473 19 A N 6.186 129.025 122.820 0.031 0.000 1.903 19 A HA 0.277 3.933 4.320 -1.107 0.000 0.213 19 A C 0.521 178.112 177.584 0.011 0.000 1.185 19 A CA 0.789 52.842 52.037 0.026 0.000 0.628 19 A CB -0.091 18.932 19.000 0.038 0.000 0.830 19 A HN 0.591 nan 8.150 nan 0.000 0.446 20 L N -0.961 120.260 121.223 -0.003 0.000 2.482 20 L HA 0.478 4.154 4.340 -1.107 0.000 0.263 20 L C -0.509 176.320 176.870 -0.069 0.000 0.957 20 L CA -1.024 53.804 54.840 -0.019 0.000 0.836 20 L CB 2.111 44.180 42.059 0.016 0.000 1.324 20 L HN 0.158 nan 8.230 nan 0.000 0.406 21 R N 2.100 122.559 120.500 -0.068 0.000 2.390 21 R HA 0.669 4.344 4.340 -1.107 0.000 0.291 21 R C -0.111 176.161 176.300 -0.046 0.000 1.070 21 R CA 0.094 56.134 56.100 -0.101 0.000 1.014 21 R CB 1.261 31.527 30.300 -0.057 0.000 1.007 21 R HN 0.709 nan 8.270 nan 0.000 0.466 22 A N 3.919 126.640 122.820 -0.164 0.000 2.386 22 A HA 0.463 4.119 4.320 -1.107 0.000 0.246 22 A C -0.509 177.195 177.584 0.199 0.000 1.089 22 A CA 0.273 52.301 52.037 -0.015 0.000 0.790 22 A CB -0.202 18.724 19.000 -0.125 0.000 1.042 22 A HN 0.767 nan 8.150 nan 0.000 0.497 23 F N -1.901 118.039 119.950 -0.017 0.000 2.741 23 F HA 0.706 4.570 4.527 -1.107 0.000 0.311 23 F C -0.479 175.338 175.800 0.028 0.000 1.149 23 F CA -0.739 57.238 58.000 -0.038 0.000 0.930 23 F CB 0.851 39.840 39.000 -0.018 0.000 1.312 23 F HN 0.428 nan 8.300 nan 0.000 0.450 24 S N 1.584 117.275 115.700 -0.016 0.000 2.648 24 S HA 0.778 4.584 4.470 -1.107 0.000 0.305 24 S C -1.467 173.354 174.600 0.368 0.000 1.094 24 S CA -0.847 57.396 58.200 0.072 0.000 0.983 24 S CB 1.908 65.232 63.200 0.207 0.000 1.101 24 S HN 0.833 nan 8.310 nan 0.000 0.514 25 L N 2.180 123.643 121.223 0.400 0.000 2.385 25 L HA 0.854 4.530 4.340 -1.107 0.000 0.273 25 L C -1.333 175.828 176.870 0.486 0.000 0.990 25 L CA -0.651 54.478 54.840 0.482 0.000 0.821 25 L CB 1.567 43.872 42.059 0.410 0.000 1.279 25 L HN 0.508 nan 8.230 nan 0.000 0.412 26 V N 6.267 126.462 119.914 0.469 0.000 2.588 26 V HA 0.807 4.263 4.120 -1.107 0.000 0.304 26 V C -1.472 174.793 176.094 0.284 0.000 1.042 26 V CA -0.202 62.334 62.300 0.394 0.000 0.877 26 V CB 2.037 34.070 31.823 0.350 0.000 0.996 26 V HN 0.636 nan 8.190 nan 0.000 0.425 27 V N 5.713 125.662 119.914 0.059 0.000 3.178 27 V HA 0.987 4.443 4.120 -1.107 0.000 0.302 27 V C -0.696 175.337 176.094 -0.102 0.000 1.262 27 V CA 0.159 62.363 62.300 -0.159 0.000 1.030 27 V CB 2.436 33.674 31.823 -0.975 0.000 1.074 27 V HN 1.581 nan 8.190 nan 0.000 0.438 28 A N 3.806 126.606 122.820 -0.034 0.000 2.343 28 A HA 0.928 4.584 4.320 -1.107 0.000 0.316 28 A C -0.757 176.921 177.584 0.157 0.000 1.104 28 A CA 0.008 52.092 52.037 0.078 0.000 0.768 28 A CB 1.559 20.701 19.000 0.238 0.000 1.213 28 A HN 2.023 nan 8.150 nan 0.000 0.456 29 V N -0.046 119.868 119.914 0.000 0.000 3.141 29 V HA 0.873 4.329 4.120 -1.107 0.000 0.312 29 V C -0.627 175.275 176.094 -0.319 0.000 1.157 29 V CA -0.824 61.487 62.300 0.017 0.000 1.041 29 V CB 1.857 33.696 31.823 0.026 0.000 1.071 29 V HN 0.935 nan 8.190 nan 0.000 0.441 30 D N -0.257 119.965 120.400 -0.296 0.000 2.466 30 D HA 0.284 4.260 4.640 -1.107 0.000 0.262 30 D C 0.680 176.831 176.300 -0.249 0.000 1.177 30 D CA -0.443 53.279 54.000 -0.463 0.000 1.035 30 D CB 0.556 41.131 40.800 -0.375 0.000 1.105 30 D HN 0.681 nan 8.370 nan 0.000 0.551 31 E N -1.448 118.564 120.200 -0.314 0.000 2.396 31 E HA -0.199 3.487 4.350 -1.107 0.000 0.200 31 E C 0.757 177.190 176.600 -0.277 0.000 1.023 31 E CA 0.846 57.066 56.400 -0.299 0.000 0.857 31 E CB -0.128 29.345 29.700 -0.377 0.000 0.775 31 E HN 0.418 nan 8.360 nan 0.000 0.525 32 H N -1.646 117.468 119.070 0.072 0.000 2.586 32 H HA 0.193 4.085 4.556 -1.107 0.000 0.273 32 H C 1.531 177.015 175.328 0.259 0.000 0.997 32 H CA 0.816 56.952 56.048 0.147 0.000 1.177 32 H CB 1.451 31.353 29.762 0.234 0.000 1.471 32 H HN 0.327 nan 8.280 nan 0.000 0.538 33 G N 0.357 109.358 108.800 0.336 0.000 2.213 33 G HA2 -0.233 3.063 3.960 -1.107 0.000 0.226 33 G HA3 -0.233 3.063 3.960 -1.107 0.000 0.226 33 G C 0.948 176.121 174.900 0.456 0.000 0.992 33 G CA -0.030 45.307 45.100 0.395 0.000 0.632 33 G HN 0.694 nan 8.290 nan 0.000 0.511 34 G N 0.397 109.438 108.800 0.403 0.000 2.432 34 G HA2 0.511 3.807 3.960 -1.107 0.000 0.239 34 G HA3 0.511 3.807 3.960 -1.107 0.000 0.239 34 G C 1.253 176.270 174.900 0.196 0.000 1.291 34 G CA 0.240 45.351 45.100 0.018 0.000 0.863 34 G HN 1.245 nan 8.290 nan 0.000 0.560 35 I N 0.176 120.827 120.570 0.134 0.000 3.526 35 I HA 0.503 4.009 4.170 -1.107 0.000 0.294 35 I C 0.822 176.978 176.117 0.065 0.000 1.229 35 I CA 0.161 61.580 61.300 0.199 0.000 1.408 35 I CB 0.559 38.653 38.000 0.156 0.000 1.127 35 I HN 0.572 nan 8.210 nan 0.000 0.439 36 G N 1.711 110.508 108.800 -0.005 0.000 2.716 36 G HA2 0.220 3.515 3.960 -1.107 0.000 0.299 36 G HA3 0.220 3.515 3.960 -1.107 0.000 0.299 36 G C -0.763 174.086 174.900 -0.085 0.000 1.450 36 G CA -0.053 44.978 45.100 -0.115 0.000 0.968 36 G HN 0.201 nan 8.290 nan 0.000 0.566 37 D N 0.030 120.384 120.400 -0.077 0.000 2.357 37 D HA 0.194 4.169 4.640 -1.107 0.000 0.216 37 D C 1.639 177.902 176.300 -0.062 0.000 0.973 37 D CA 2.106 56.074 54.000 -0.054 0.000 0.912 37 D CB 0.346 41.125 40.800 -0.035 0.000 0.900 37 D HN 1.076 nan 8.370 nan 0.000 0.501 38 G N -0.676 108.081 108.800 -0.073 0.000 4.386 38 G HA2 -0.012 3.284 3.960 -1.107 0.000 0.183 38 G HA3 -0.012 3.284 3.960 -1.107 0.000 0.183 38 G C 1.172 176.037 174.900 -0.058 0.000 1.226 38 G CA -0.189 44.877 45.100 -0.056 0.000 0.926 38 G HN 0.176 nan 8.290 nan 0.000 0.306 39 R N -0.386 120.069 120.500 -0.075 0.000 2.676 39 R HA 0.404 4.080 4.340 -1.107 0.000 0.241 39 R C 0.818 177.048 176.300 -0.117 0.000 0.964 39 R CA 0.584 56.636 56.100 -0.080 0.000 1.054 39 R CB 1.027 31.291 30.300 -0.060 0.000 1.603 39 R HN 0.319 nan 8.270 nan 0.000 0.577 40 S N 0.303 115.921 115.700 -0.136 0.000 2.713 40 S HA 0.570 4.376 4.470 -1.107 0.000 0.277 40 S C -0.193 174.233 174.600 -0.290 0.000 1.168 40 S CA -0.381 57.712 58.200 -0.180 0.000 0.994 40 S CB 0.635 63.747 63.200 -0.146 0.000 1.054 40 S HN 0.165 nan 8.310 nan 0.000 0.555 41 I N 2.504 122.852 120.570 -0.370 0.000 2.719 41 I HA 0.263 3.769 4.170 -1.107 0.000 0.275 41 I C -2.217 173.529 176.117 -0.619 0.000 1.228 41 I CA -1.258 59.640 61.300 -0.669 0.000 1.035 41 I CB 1.816 39.415 38.000 -0.669 0.000 1.286 41 I HN 0.459 nan 8.210 nan 0.000 0.531 42 P HA -0.092 nan 4.420 nan 0.000 0.234 42 P C -0.912 176.354 177.300 -0.057 0.000 1.162 42 P CA 1.070 64.037 63.100 -0.222 0.000 0.759 42 P CB -0.087 31.584 31.700 -0.048 0.000 0.813 43 W N -0.349 120.920 121.300 -0.052 0.000 2.499 43 W HA 0.449 4.445 4.660 -1.107 0.000 0.320 43 W C -0.514 175.959 176.519 -0.077 0.000 1.010 43 W CA -1.204 56.104 57.345 -0.061 0.000 1.267 43 W CB -0.328 29.092 29.460 -0.067 0.000 1.316 43 W HN -0.171 nan 8.180 nan 0.000 0.431 44 N N 2.461 121.221 118.700 0.101 0.000 3.112 44 N HA 0.272 4.347 4.740 -1.107 0.000 0.270 44 N C -1.209 174.308 175.510 0.012 0.000 1.385 44 N CA -0.248 52.815 53.050 0.022 0.000 0.986 44 N CB 0.579 39.057 38.487 -0.016 0.000 1.261 44 N HN 0.165 nan 8.380 nan 0.000 0.495 45 V N 4.476 124.393 119.914 0.005 0.000 2.403 45 V HA 0.141 3.597 4.120 -1.107 0.000 0.265 45 V C -0.926 175.102 176.094 -0.109 0.000 1.034 45 V CA -1.082 61.158 62.300 -0.100 0.000 1.036 45 V CB 0.680 32.359 31.823 -0.240 0.000 1.032 45 V HN 0.547 nan 8.190 nan 0.000 0.478 46 P HA -0.225 nan 4.420 nan 0.000 0.217 46 P C 1.190 178.475 177.300 -0.026 0.000 1.158 46 P CA 1.522 64.598 63.100 -0.041 0.000 0.887 46 P CB 0.538 32.225 31.700 -0.022 0.000 0.792 47 E N -0.353 119.805 120.200 -0.070 0.000 2.153 47 E HA -0.175 3.511 4.350 -1.107 0.000 0.194 47 E C 1.865 178.548 176.600 0.137 0.000 0.988 47 E CA 1.440 57.856 56.400 0.028 0.000 0.811 47 E CB -0.864 28.863 29.700 0.046 0.000 0.746 47 E HN 0.401 nan 8.360 nan 0.000 0.466 48 D N -0.629 119.773 120.400 0.004 0.000 2.149 48 D HA -0.134 3.842 4.640 -1.107 0.000 0.201 48 D C 1.771 178.220 176.300 0.249 0.000 0.972 48 D CA 0.812 54.933 54.000 0.202 0.000 0.835 48 D CB 0.071 40.884 40.800 0.022 0.000 0.966 48 D HN 0.006 nan 8.370 nan 0.000 0.476 49 M N 0.424 120.091 119.600 0.112 0.000 2.117 49 M HA -0.080 3.735 4.480 -1.107 0.000 0.262 49 M C 1.969 178.354 176.300 0.142 0.000 1.065 49 M CA 1.426 56.782 55.300 0.094 0.000 1.114 49 M CB -0.211 32.394 32.600 0.007 0.000 1.361 49 M HN -0.056 nan 8.290 nan 0.000 0.408 50 K N -1.032 119.437 120.400 0.116 0.000 2.025 50 K HA -0.205 3.451 4.320 -1.107 0.000 0.207 50 K C 2.009 178.657 176.600 0.080 0.000 1.049 50 K CA 1.601 57.936 56.287 0.080 0.000 0.933 50 K CB -0.475 32.068 32.500 0.071 0.000 0.714 50 K HN 0.283 nan 8.250 nan 0.000 0.438 51 F N 1.284 121.234 119.950 -0.000 0.000 2.065 51 F HA -0.261 3.602 4.527 -1.107 0.000 0.298 51 F C 1.946 177.675 175.800 -0.119 0.000 1.112 51 F CA 1.889 59.823 58.000 -0.111 0.000 1.212 51 F CB -0.764 38.126 39.000 -0.183 0.000 0.975 51 F HN 0.139 nan 8.300 nan 0.000 0.476 52 F N 1.201 121.078 119.950 -0.122 0.000 2.091 52 F HA -0.252 3.611 4.527 -1.107 0.000 0.299 52 F C 2.709 178.299 175.800 -0.350 0.000 1.103 52 F CA 2.412 60.252 58.000 -0.267 0.000 1.228 52 F CB -0.698 38.265 39.000 -0.061 0.000 0.984 52 F HN -0.013 nan 8.300 nan 0.000 0.477 53 R N 0.471 120.907 120.500 -0.106 0.000 2.080 53 R HA -0.193 3.483 4.340 -1.107 0.000 0.236 53 R C 2.061 178.145 176.300 -0.360 0.000 1.137 53 R CA 2.310 58.295 56.100 -0.191 0.000 0.943 53 R CB -0.645 29.636 30.300 -0.033 0.000 0.846 53 R HN 0.300 nan 8.270 nan 0.000 0.431 54 D N 0.348 120.543 120.400 -0.341 0.000 2.097 54 D HA -0.171 3.805 4.640 -1.107 0.000 0.195 54 D C 1.908 177.900 176.300 -0.514 0.000 0.989 54 D CA 1.156 54.946 54.000 -0.351 0.000 0.827 54 D CB -0.314 40.322 40.800 -0.273 0.000 0.966 54 D HN 0.191 nan 8.370 nan 0.000 0.456 55 L N 0.963 121.700 121.223 -0.810 0.000 2.012 55 L HA -0.178 3.498 4.340 -1.107 0.000 0.210 55 L C 2.381 178.662 176.870 -0.982 0.000 1.073 55 L CA 2.454 56.706 54.840 -0.980 0.000 0.748 55 L CB -1.078 40.087 42.059 -1.490 0.000 0.891 55 L HN 0.134 nan 8.230 nan 0.000 0.431 56 T N -5.790 108.076 114.554 -1.146 0.000 3.023 56 T HA -0.042 3.644 4.350 -1.107 0.000 0.266 56 T C 1.579 176.002 174.700 -0.463 0.000 1.093 56 T CA 1.231 62.680 62.100 -1.086 0.000 1.129 56 T CB -0.627 67.532 68.868 -1.182 0.000 0.899 56 T HN 0.378 nan 8.240 nan 0.000 0.491 57 T N 1.238 115.558 114.554 -0.391 0.000 2.901 57 T HA 0.169 3.855 4.350 -1.107 0.000 0.252 57 T C 0.819 175.438 174.700 -0.134 0.000 1.035 57 T CA 0.342 62.320 62.100 -0.203 0.000 1.142 57 T CB -0.011 68.750 68.868 -0.179 0.000 0.869 57 T HN 0.420 nan 8.240 nan 0.000 0.442 58 K N 1.330 121.631 120.400 -0.165 0.000 2.319 58 K HA 0.361 4.017 4.320 -1.107 0.000 0.265 58 K C -0.410 176.157 176.600 -0.056 0.000 1.000 58 K CA 0.033 56.256 56.287 -0.106 0.000 0.943 58 K CB 0.480 32.904 32.500 -0.128 0.000 0.950 58 K HN 0.180 nan 8.250 nan 0.000 0.485 59 L N 1.822 123.026 121.223 -0.031 0.000 2.331 59 L HA 0.468 4.144 4.340 -1.107 0.000 0.268 59 L C 0.482 177.345 176.870 -0.012 0.000 1.015 59 L CA -1.178 53.657 54.840 -0.007 0.000 0.807 59 L CB 1.170 43.230 42.059 0.001 0.000 1.293 59 L HN 0.480 nan 8.230 nan 0.000 0.451 60 R N 0.103 120.601 120.500 -0.003 0.000 2.615 60 R HA 0.414 4.090 4.340 -1.107 0.000 0.270 60 R C 0.074 176.370 176.300 -0.007 0.000 1.081 60 R CA 0.110 56.204 56.100 -0.010 0.000 1.154 60 R CB 0.369 30.662 30.300 -0.012 0.000 1.063 60 R HN 0.856 nan 8.270 nan 0.000 0.519 61 G N 2.481 111.275 108.800 -0.010 0.000 2.547 61 G HA2 -0.292 3.004 3.960 -1.107 0.000 0.226 61 G HA3 -0.292 3.004 3.960 -1.107 0.000 0.226 61 G C -0.328 174.569 174.900 -0.004 0.000 0.871 61 G CA -0.244 44.854 45.100 -0.004 0.000 1.142 61 G HN 0.516 nan 8.290 nan 0.000 0.362 62 K N 0.769 121.164 120.400 -0.008 0.000 2.402 62 K HA 0.191 3.847 4.320 -1.107 0.000 0.265 62 K C 1.262 177.859 176.600 -0.005 0.000 0.978 62 K CA 0.570 56.851 56.287 -0.010 0.000 0.913 62 K CB 0.093 32.586 32.500 -0.012 0.000 0.954 62 K HN 0.662 nan 8.250 nan 0.000 0.511 63 N N -1.723 116.973 118.700 -0.006 0.000 3.002 63 N HA -0.146 3.930 4.740 -1.107 0.000 0.229 63 N C -1.575 173.935 175.510 -0.000 0.000 0.927 63 N CA 0.715 53.763 53.050 -0.003 0.000 0.980 63 N CB -1.042 37.446 38.487 0.000 0.000 1.077 63 N HN 0.174 nan 8.380 nan 0.000 0.572 64 V N 1.549 121.462 119.914 -0.002 0.000 2.304 64 V HA 0.232 3.688 4.120 -1.107 0.000 0.278 64 V C 0.510 176.603 176.094 -0.002 0.000 1.018 64 V CA -0.954 61.347 62.300 0.002 0.000 0.814 64 V CB 1.338 33.164 31.823 0.006 0.000 1.021 64 V HN 0.182 nan 8.190 nan 0.000 0.440 65 K N 4.737 125.137 120.400 -0.000 0.000 2.218 65 K HA 0.569 4.225 4.320 -1.107 0.000 0.276 65 K C -2.685 173.917 176.600 0.004 0.000 1.022 65 K CA -1.504 54.782 56.287 -0.002 0.000 0.946 65 K CB 0.567 33.067 32.500 -0.000 0.000 1.000 65 K HN 0.266 nan 8.250 nan 0.000 0.468 66 P HA -0.045 nan 4.420 nan 0.000 0.267 66 P C -1.047 176.265 177.300 0.020 0.000 1.200 66 P CA 0.040 63.147 63.100 0.012 0.000 0.772 66 P CB 0.826 32.531 31.700 0.008 0.000 0.855 67 S N 1.530 117.246 115.700 0.026 0.000 2.625 67 S HA 0.512 4.318 4.470 -1.107 0.000 0.271 67 S C -2.530 172.091 174.600 0.035 0.000 1.161 67 S CA -1.380 56.837 58.200 0.029 0.000 0.820 67 S CB 1.374 64.587 63.200 0.022 0.000 1.137 67 S HN 0.049 nan 8.310 nan 0.000 0.470 68 P HA 0.143 nan 4.420 nan 0.000 0.225 68 P C 1.031 178.348 177.300 0.028 0.000 1.148 68 P CA 1.361 64.484 63.100 0.037 0.000 0.779 68 P CB -0.085 31.633 31.700 0.030 0.000 0.780 69 A N -1.937 120.897 122.820 0.022 0.000 2.147 69 A HA 0.156 3.812 4.320 -1.107 0.000 0.211 69 A C 0.952 178.551 177.584 0.024 0.000 1.160 69 A CA 0.746 52.793 52.037 0.017 0.000 0.781 69 A CB -0.188 18.820 19.000 0.014 0.000 0.842 69 A HN -0.014 nan 8.150 nan 0.000 0.475 70 K N 0.207 120.625 120.400 0.029 0.000 2.729 70 K HA 0.360 4.016 4.320 -1.107 0.000 0.269 70 K C -0.855 175.765 176.600 0.034 0.000 1.065 70 K CA -0.236 56.069 56.287 0.032 0.000 1.000 70 K CB 0.459 32.974 32.500 0.026 0.000 1.283 70 K HN 0.577 nan 8.250 nan 0.000 0.491 71 R N 1.298 121.823 120.500 0.042 0.000 2.747 71 R HA 0.562 4.238 4.340 -1.107 0.000 0.272 71 R C -0.931 175.402 176.300 0.054 0.000 1.032 71 R CA -1.076 55.050 56.100 0.043 0.000 0.896 71 R CB 0.613 30.942 30.300 0.048 0.000 1.253 71 R HN 0.289 nan 8.270 nan 0.000 0.461 72 N N -0.529 118.207 118.700 0.060 0.000 2.447 72 N HA 0.653 4.729 4.740 -1.107 0.000 0.271 72 N C -1.002 174.560 175.510 0.086 0.000 1.226 72 N CA -0.293 52.809 53.050 0.087 0.000 0.980 72 N CB 1.673 40.260 38.487 0.168 0.000 1.206 72 N HN 0.701 nan 8.380 nan 0.000 0.558 73 A N -0.233 122.644 122.820 0.096 0.000 2.401 73 A HA 0.647 4.303 4.320 -1.107 0.000 0.310 73 A C -0.716 176.942 177.584 0.122 0.000 1.075 73 A CA -0.680 51.401 52.037 0.074 0.000 0.746 73 A CB 0.970 19.978 19.000 0.014 0.000 1.277 73 A HN 0.389 nan 8.150 nan 0.000 0.425 74 V N -0.145 119.833 119.914 0.106 0.000 2.495 74 V HA 0.823 4.278 4.120 -1.107 0.000 0.298 74 V C -0.563 175.581 176.094 0.084 0.000 1.031 74 V CA -0.752 61.637 62.300 0.147 0.000 0.871 74 V CB 1.109 33.039 31.823 0.180 0.000 0.988 74 V HN 0.639 nan 8.190 nan 0.000 0.432 75 V N 6.723 126.680 119.914 0.072 0.000 2.417 75 V HA 0.715 4.171 4.120 -1.107 0.000 0.291 75 V C 0.091 176.188 176.094 0.005 0.000 1.024 75 V CA -0.285 62.010 62.300 -0.009 0.000 0.861 75 V CB 1.373 33.150 31.823 -0.076 0.000 0.985 75 V HN 1.116 nan 8.190 nan 0.000 0.436 76 M N 3.309 122.902 119.600 -0.011 0.000 2.575 76 M HA 0.866 4.681 4.480 -1.107 0.000 0.284 76 M C 0.022 176.303 176.300 -0.033 0.000 1.253 76 M CA -0.577 54.717 55.300 -0.011 0.000 0.861 76 M CB 2.169 34.811 32.600 0.070 0.000 1.733 76 M HN 0.584 nan 8.290 nan 0.000 0.462 77 G N 0.776 109.547 108.800 -0.048 0.000 2.572 77 G HA2 0.241 3.537 3.960 -1.107 0.000 0.261 77 G HA3 0.241 3.537 3.960 -1.107 0.000 0.261 77 G C 0.412 175.322 174.900 0.018 0.000 1.197 77 G CA -0.536 44.541 45.100 -0.039 0.000 0.870 77 G HN 0.909 nan 8.290 nan 0.000 0.548 78 R N 0.490 120.998 120.500 0.013 0.000 2.091 78 R HA -0.085 3.591 4.340 -1.107 0.000 0.238 78 R C 2.212 178.580 176.300 0.113 0.000 1.136 78 R CA 1.596 57.735 56.100 0.064 0.000 0.959 78 R CB -0.348 29.968 30.300 0.028 0.000 0.856 78 R HN 0.640 nan 8.270 nan 0.000 0.437 79 K N -0.774 119.656 120.400 0.049 0.000 2.147 79 K HA -0.061 3.595 4.320 -1.107 0.000 0.205 79 K C 2.008 178.620 176.600 0.020 0.000 1.049 79 K CA 1.717 58.020 56.287 0.028 0.000 0.936 79 K CB -0.041 32.456 32.500 -0.005 0.000 0.722 79 K HN 0.187 nan 8.250 nan 0.000 0.446 80 T N 0.708 115.278 114.554 0.027 0.000 2.812 80 T HA -0.151 3.535 4.350 -1.107 0.000 0.264 80 T C 1.197 175.930 174.700 0.056 0.000 1.042 80 T CA 0.755 62.859 62.100 0.006 0.000 1.140 80 T CB -0.173 68.688 68.868 -0.012 0.000 0.870 80 T HN 0.471 nan 8.240 nan 0.000 0.445 81 W N 2.377 123.643 121.300 -0.056 0.000 2.358 81 W HA -0.146 3.849 4.660 -1.107 0.000 0.303 81 W C 1.071 177.565 176.519 -0.042 0.000 1.208 81 W CA 1.168 58.488 57.345 -0.042 0.000 1.274 81 W CB -0.267 29.173 29.460 -0.033 0.000 1.138 81 W HN 0.222 nan 8.180 nan 0.000 0.515 82 D N 0.205 120.622 120.400 0.029 0.000 2.219 82 D HA -0.161 3.815 4.640 -1.107 0.000 0.205 82 D C 2.432 178.642 176.300 -0.151 0.000 0.970 82 D CA 1.959 55.910 54.000 -0.081 0.000 0.851 82 D CB -0.439 40.372 40.800 0.019 0.000 0.943 82 D HN 0.226 nan 8.370 nan 0.000 0.488 83 S N -0.255 115.370 115.700 -0.126 0.000 2.515 83 S HA -0.025 3.780 4.470 -1.107 0.000 0.231 83 S C 1.023 175.522 174.600 -0.168 0.000 0.987 83 S CA -0.075 58.045 58.200 -0.133 0.000 0.936 83 S CB -0.273 62.856 63.200 -0.117 0.000 0.766 83 S HN 0.136 nan 8.310 nan 0.000 0.528 84 I N 3.008 123.433 120.570 -0.242 0.000 2.416 84 I HA 0.289 3.795 4.170 -1.107 0.000 0.288 84 I C -2.526 173.421 176.117 -0.283 0.000 1.051 84 I CA -2.636 58.512 61.300 -0.253 0.000 1.375 84 I CB 0.881 38.660 38.000 -0.369 0.000 1.407 84 I HN -0.049 nan 8.210 nan 0.000 0.516 85 P HA 0.045 nan 4.420 nan 0.000 0.263 85 P C -2.001 175.075 177.300 -0.372 0.000 1.195 85 P CA -0.828 62.092 63.100 -0.300 0.000 0.762 85 P CB 0.152 31.617 31.700 -0.391 0.000 0.799 86 P HA -0.275 nan 4.420 nan 0.000 0.219 86 P C 1.209 178.347 177.300 -0.271 0.000 1.151 86 P CA 1.946 64.879 63.100 -0.277 0.000 0.850 86 P CB -0.207 31.379 31.700 -0.190 0.000 0.784 87 K N -1.895 118.271 120.400 -0.391 0.000 2.217 87 K HA -0.048 3.608 4.320 -1.107 0.000 0.202 87 K C 0.867 177.295 176.600 -0.287 0.000 1.051 87 K CA 1.317 57.363 56.287 -0.403 0.000 0.952 87 K CB -0.643 31.496 32.500 -0.601 0.000 0.736 87 K HN 0.108 nan 8.250 nan 0.000 0.453 88 F N 1.677 121.549 119.950 -0.130 0.000 2.641 88 F HA 0.345 4.208 4.527 -1.107 0.000 0.302 88 F C 0.181 175.866 175.800 -0.193 0.000 1.098 88 F CA -0.876 57.046 58.000 -0.131 0.000 1.318 88 F CB 0.008 38.937 39.000 -0.119 0.000 1.035 88 F HN -0.218 nan 8.300 nan 0.000 0.551 89 R N 2.277 122.693 120.500 -0.141 0.000 2.297 89 R HA 0.319 3.995 4.340 -1.107 0.000 0.308 89 R C -2.417 173.778 176.300 -0.176 0.000 1.029 89 R CA -1.545 54.382 56.100 -0.288 0.000 0.929 89 R CB 0.819 30.773 30.300 -0.577 0.000 1.046 89 R HN -0.065 nan 8.270 nan 0.000 0.461 90 P HA 0.143 nan 4.420 nan 0.000 0.281 90 P C -0.652 176.631 177.300 -0.029 0.000 1.281 90 P CA -0.586 62.527 63.100 0.021 0.000 0.811 90 P CB 0.853 32.681 31.700 0.214 0.000 1.154 91 L N 1.840 123.101 121.223 0.064 0.000 2.534 91 L HA 0.163 3.838 4.340 -1.107 0.000 0.271 91 L C -1.523 175.366 176.870 0.032 0.000 1.178 91 L CA -1.583 53.290 54.840 0.055 0.000 0.907 91 L CB -0.460 41.670 42.059 0.117 0.000 1.164 91 L HN 0.261 nan 8.230 nan 0.000 0.482 92 P HA 0.025 nan 4.420 nan 0.000 0.272 92 P C 0.726 178.040 177.300 0.023 0.000 1.223 92 P CA 0.342 63.456 63.100 0.024 0.000 0.784 92 P CB 1.075 32.793 31.700 0.029 0.000 0.923 93 G N 1.619 110.444 108.800 0.042 0.000 2.155 93 G HA2 -0.258 3.038 3.960 -1.107 0.000 0.257 93 G HA3 -0.258 3.038 3.960 -1.107 0.000 0.257 93 G C 0.091 175.006 174.900 0.027 0.000 0.983 93 G CA 0.124 45.241 45.100 0.029 0.000 0.676 93 G HN 0.705 nan 8.290 nan 0.000 0.528 94 R N -1.146 119.380 120.500 0.043 0.000 2.668 94 R HA 0.587 4.263 4.340 -1.107 0.000 0.272 94 R C -0.311 176.032 176.300 0.071 0.000 1.019 94 R CA -1.014 55.116 56.100 0.050 0.000 0.894 94 R CB 1.509 31.830 30.300 0.035 0.000 1.228 94 R HN 0.127 nan 8.270 nan 0.000 0.460 95 L N 2.723 123.989 121.223 0.072 0.000 2.361 95 L HA 0.260 3.936 4.340 -1.107 0.000 0.278 95 L C -0.744 176.157 176.870 0.053 0.000 1.113 95 L CA 0.157 55.039 54.840 0.070 0.000 0.849 95 L CB 0.401 42.505 42.059 0.075 0.000 1.155 95 L HN 0.667 nan 8.230 nan 0.000 0.452 96 N N 4.666 123.396 118.700 0.051 0.000 2.426 96 N HA 0.247 4.323 4.740 -1.107 0.000 0.257 96 N C -0.992 174.477 175.510 -0.068 0.000 1.002 96 N CA -0.512 52.567 53.050 0.048 0.000 0.942 96 N CB 2.083 40.664 38.487 0.155 0.000 1.112 96 N HN 0.319 nan 8.380 nan 0.000 0.499 97 V N 3.294 123.160 119.914 -0.079 0.000 2.370 97 V HA 0.305 3.761 4.120 -1.107 0.000 0.283 97 V C 0.127 176.125 176.094 -0.160 0.000 1.023 97 V CA -0.660 61.549 62.300 -0.152 0.000 0.857 97 V CB 1.641 33.366 31.823 -0.163 0.000 0.985 97 V HN 0.294 nan 8.190 nan 0.000 0.443 98 V N 6.449 126.218 119.914 -0.241 0.000 2.448 98 V HA 0.440 3.896 4.120 -1.107 0.000 0.295 98 V C -0.079 175.902 176.094 -0.187 0.000 1.025 98 V CA -0.613 61.541 62.300 -0.243 0.000 0.859 98 V CB 1.793 33.323 31.823 -0.489 0.000 0.988 98 V HN 0.644 nan 8.190 nan 0.000 0.431 99 L N 4.181 125.328 121.223 -0.128 0.000 2.313 99 L HA 0.628 4.304 4.340 -1.107 0.000 0.282 99 L C 0.287 177.107 176.870 -0.084 0.000 1.092 99 L CA 0.412 55.189 54.840 -0.104 0.000 0.831 99 L CB 1.128 43.134 42.059 -0.088 0.000 1.159 99 L HN 0.720 nan 8.230 nan 0.000 0.442 100 S N 0.710 116.363 115.700 -0.079 0.000 2.543 100 S HA 0.276 4.082 4.470 -1.107 0.000 0.273 100 S C 0.296 174.873 174.600 -0.039 0.000 1.152 100 S CA -0.322 57.846 58.200 -0.053 0.000 0.910 100 S CB 1.789 64.954 63.200 -0.059 0.000 1.105 100 S HN 0.653 nan 8.310 nan 0.000 0.465 101 S N 1.981 117.668 115.700 -0.021 0.000 2.556 101 S HA 0.114 3.920 4.470 -1.107 0.000 0.216 101 S C 1.168 175.770 174.600 0.002 0.000 0.970 101 S CA 0.755 58.947 58.200 -0.014 0.000 0.912 101 S CB -0.178 63.015 63.200 -0.011 0.000 0.790 101 S HN 0.954 nan 8.310 nan 0.000 0.504 102 T N -1.032 113.531 114.554 0.015 0.000 2.954 102 T HA 0.446 4.132 4.350 -1.107 0.000 0.252 102 T C 0.200 174.967 174.700 0.111 0.000 0.983 102 T CA -0.374 61.753 62.100 0.045 0.000 0.941 102 T CB -0.246 68.641 68.868 0.031 0.000 1.141 102 T HN 0.290 nan 8.240 nan 0.000 0.500 103 L N 3.476 124.751 121.223 0.088 0.000 2.313 103 L HA 0.587 4.263 4.340 -1.107 0.000 0.283 103 L C 0.572 177.453 176.870 0.019 0.000 1.013 103 L CA -1.019 53.921 54.840 0.166 0.000 0.816 103 L CB 1.909 44.023 42.059 0.091 0.000 1.236 103 L HN 0.268 nan 8.230 nan 0.000 0.419 104 T N -1.976 112.518 114.554 -0.099 0.000 2.824 104 T HA 0.157 3.843 4.350 -1.107 0.000 0.277 104 T C 1.148 175.752 174.700 -0.161 0.000 0.975 104 T CA -0.437 61.530 62.100 -0.222 0.000 0.966 104 T CB 1.259 69.876 68.868 -0.418 0.000 1.054 104 T HN 0.546 nan 8.240 nan 0.000 0.533 105 T N 0.369 114.835 114.554 -0.146 0.000 2.746 105 T HA -0.141 3.545 4.350 -1.107 0.000 0.267 105 T C 2.012 176.667 174.700 -0.074 0.000 1.039 105 T CA 1.741 63.772 62.100 -0.116 0.000 1.142 105 T CB -0.480 68.336 68.868 -0.087 0.000 0.866 105 T HN 0.707 nan 8.240 nan 0.000 0.444 106 Q N 0.833 120.582 119.800 -0.086 0.000 2.096 106 Q HA -0.140 3.535 4.340 -1.107 0.000 0.204 106 Q C 1.870 177.910 176.000 0.067 0.000 0.982 106 Q CA 1.850 57.637 55.803 -0.027 0.000 0.850 106 Q CB -0.547 28.157 28.738 -0.055 0.000 0.901 106 Q HN 0.773 nan 8.270 nan 0.000 0.422 107 H N -1.256 117.806 119.070 -0.014 0.000 2.387 107 H HA -0.141 3.751 4.556 -1.107 0.000 0.299 107 H C 1.637 176.975 175.328 0.016 0.000 1.099 107 H CA 0.904 56.951 56.048 -0.001 0.000 1.315 107 H CB 0.196 29.950 29.762 -0.012 0.000 1.380 107 H HN 0.176 nan 8.280 nan 0.000 0.513 108 L N -0.063 121.221 121.223 0.101 0.000 2.083 108 L HA -0.174 3.502 4.340 -1.107 0.000 0.209 108 L C 2.078 179.039 176.870 0.151 0.000 1.083 108 L CA 1.002 55.874 54.840 0.053 0.000 0.752 108 L CB -0.462 41.461 42.059 -0.227 0.000 0.899 108 L HN 0.232 nan 8.230 nan 0.000 0.433 109 L N -0.601 120.684 121.223 0.104 0.000 2.027 109 L HA -0.198 3.478 4.340 -1.107 0.000 0.206 109 L C 2.167 179.112 176.870 0.126 0.000 1.074 109 L CA 1.573 56.487 54.840 0.123 0.000 0.745 109 L CB -1.212 40.897 42.059 0.083 0.000 0.898 109 L HN 0.284 nan 8.230 nan 0.000 0.433 110 D N -0.520 119.948 120.400 0.114 0.000 2.228 110 D HA -0.165 3.811 4.640 -1.107 0.000 0.203 110 D C 2.046 178.398 176.300 0.087 0.000 0.988 110 D CA 1.376 55.431 54.000 0.093 0.000 0.864 110 D CB -0.302 40.553 40.800 0.092 0.000 0.928 110 D HN 0.440 nan 8.370 nan 0.000 0.469 111 G N -0.051 108.822 108.800 0.122 0.000 2.650 111 G HA2 0.020 3.315 3.960 -1.107 0.000 0.214 111 G HA3 0.020 3.315 3.960 -1.107 0.000 0.214 111 G C 0.804 175.761 174.900 0.096 0.000 1.136 111 G CA -0.174 44.995 45.100 0.115 0.000 0.789 111 G HN 0.200 nan 8.290 nan 0.000 0.536 112 L N 1.230 122.524 121.223 0.118 0.000 2.439 112 L HA 0.152 3.828 4.340 -1.107 0.000 0.269 112 L C -0.446 176.453 176.870 0.048 0.000 1.179 112 L CA -1.567 53.327 54.840 0.090 0.000 0.828 112 L CB 1.026 43.167 42.059 0.137 0.000 1.106 112 L HN -0.008 nan 8.230 nan 0.000 0.467 113 P HA -0.176 nan 4.420 nan 0.000 0.216 113 P C -0.203 177.105 177.300 0.014 0.000 1.157 113 P CA 1.595 64.695 63.100 0.001 0.000 0.880 113 P CB 0.057 31.746 31.700 -0.019 0.000 0.791 114 D N -2.810 117.607 120.400 0.029 0.000 2.592 114 D HA 0.133 4.108 4.640 -1.107 0.000 0.263 114 D C 0.633 176.954 176.300 0.035 0.000 1.132 114 D CA -0.663 53.353 54.000 0.026 0.000 0.996 114 D CB 1.317 42.127 40.800 0.017 0.000 1.442 114 D HN -0.244 nan 8.370 nan 0.000 0.486 115 E N 0.500 120.715 120.200 0.025 0.000 2.047 115 E HA -0.186 3.500 4.350 -1.107 0.000 0.191 115 E C 1.632 178.244 176.600 0.019 0.000 0.987 115 E CA 1.115 57.530 56.400 0.024 0.000 0.799 115 E CB -0.158 29.552 29.700 0.016 0.000 0.752 115 E HN 0.699 nan 8.360 nan 0.000 0.449 116 E N 0.992 121.197 120.200 0.010 0.000 2.097 116 E HA -0.277 3.409 4.350 -1.107 0.000 0.196 116 E C 2.033 178.623 176.600 -0.017 0.000 1.000 116 E CA 1.811 58.208 56.400 -0.006 0.000 0.804 116 E CB 0.005 29.702 29.700 -0.006 0.000 0.740 116 E HN -0.053 nan 8.360 nan 0.000 0.454 117 K N 0.552 120.962 120.400 0.017 0.000 2.097 117 K HA -0.115 3.541 4.320 -1.107 0.000 0.206 117 K C 2.190 178.843 176.600 0.088 0.000 1.049 117 K CA 1.326 57.648 56.287 0.059 0.000 0.933 117 K CB 0.019 32.603 32.500 0.140 0.000 0.717 117 K HN 0.052 nan 8.250 nan 0.000 0.442 118 R N 0.092 120.642 120.500 0.082 0.000 2.092 118 R HA -0.018 3.658 4.340 -1.107 0.000 0.231 118 R C 1.844 178.177 176.300 0.054 0.000 1.119 118 R CA 1.368 57.524 56.100 0.094 0.000 0.970 118 R CB -0.336 30.009 30.300 0.075 0.000 0.864 118 R HN 0.302 nan 8.270 nan 0.000 0.440 119 N N 0.961 119.668 118.700 0.011 0.000 2.216 119 N HA -0.127 3.949 4.740 -1.107 0.000 0.183 119 N C 1.756 177.240 175.510 -0.043 0.000 1.017 119 N CA 0.740 53.786 53.050 -0.007 0.000 0.861 119 N CB -0.141 38.339 38.487 -0.013 0.000 0.986 119 N HN 0.100 nan 8.380 nan 0.000 0.428 120 L N 0.781 121.930 121.223 -0.123 0.000 2.275 120 L HA -0.059 3.617 4.340 -1.107 0.000 0.215 120 L C 1.149 177.830 176.870 -0.317 0.000 1.119 120 L CA 1.691 56.376 54.840 -0.258 0.000 0.790 120 L CB -0.233 41.580 42.059 -0.410 0.000 0.919 120 L HN 0.209 nan 8.230 nan 0.000 0.443 121 H N -1.696 117.406 119.070 0.054 0.000 2.893 121 H HA 0.402 4.294 4.556 -1.107 0.000 0.270 121 H C 2.020 177.386 175.328 0.062 0.000 1.095 121 H CA 0.439 56.528 56.048 0.068 0.000 1.186 121 H CB 0.152 29.971 29.762 0.096 0.000 1.562 121 H HN 0.355 nan 8.280 nan 0.000 0.536 122 A N 0.965 123.862 122.820 0.128 0.000 1.997 122 A HA -0.189 3.467 4.320 -1.107 0.000 0.221 122 A C 1.718 179.349 177.584 0.077 0.000 1.172 122 A CA 1.947 54.036 52.037 0.087 0.000 0.645 122 A CB -0.114 18.916 19.000 0.050 0.000 0.813 122 A HN 0.200 nan 8.150 nan 0.000 0.454 123 D N -0.841 119.608 120.400 0.082 0.000 2.349 123 D HA 0.078 4.054 4.640 -1.107 0.000 0.215 123 D C 1.033 177.392 176.300 0.099 0.000 1.016 123 D CA 0.675 54.721 54.000 0.075 0.000 0.870 123 D CB 0.231 41.064 40.800 0.056 0.000 0.917 123 D HN 0.358 nan 8.370 nan 0.000 0.524 124 S N -0.033 115.741 115.700 0.123 0.000 2.554 124 S HA 0.265 4.071 4.470 -1.107 0.000 0.226 124 S C 0.653 175.304 174.600 0.085 0.000 0.980 124 S CA -0.201 58.072 58.200 0.121 0.000 0.939 124 S CB 1.010 64.305 63.200 0.159 0.000 0.832 124 S HN 0.126 nan 8.310 nan 0.000 0.486 125 I N 0.989 121.592 120.570 0.055 0.000 2.533 125 I HA 0.548 4.054 4.170 -1.107 0.000 0.290 125 I C -1.135 174.941 176.117 -0.069 0.000 1.056 125 I CA -0.736 60.542 61.300 -0.037 0.000 1.057 125 I CB 2.319 40.292 38.000 -0.046 0.000 1.240 125 I HN -0.154 nan 8.210 nan 0.000 0.423 126 V N 5.420 125.251 119.914 -0.139 0.000 2.817 126 V HA 0.825 4.281 4.120 -1.107 0.000 0.303 126 V C -0.932 175.043 176.094 -0.198 0.000 1.151 126 V CA -0.177 62.047 62.300 -0.127 0.000 0.929 126 V CB 1.940 33.723 31.823 -0.067 0.000 1.030 126 V HN 0.830 nan 8.190 nan 0.000 0.427 127 A N 5.328 128.039 122.820 -0.183 0.000 2.312 127 A HA 0.916 4.571 4.320 -1.107 0.000 0.328 127 A C -0.480 177.018 177.584 -0.143 0.000 1.158 127 A CA -0.058 51.863 52.037 -0.193 0.000 0.821 127 A CB 1.704 20.593 19.000 -0.186 0.000 1.170 127 A HN 2.014 nan 8.150 nan 0.000 0.490 128 V N 0.596 120.428 119.914 -0.136 0.000 2.525 128 V HA 0.539 3.995 4.120 -1.107 0.000 0.299 128 V C -0.427 175.613 176.094 -0.089 0.000 1.034 128 V CA -0.855 61.380 62.300 -0.109 0.000 0.863 128 V CB 1.568 33.318 31.823 -0.121 0.000 0.999 128 V HN 0.830 nan 8.190 nan 0.000 0.423 129 N N 4.207 122.864 118.700 -0.071 0.000 2.819 129 N HA 0.607 4.683 4.740 -1.107 0.000 0.284 129 N C 0.151 175.632 175.510 -0.048 0.000 1.196 129 N CA 1.276 54.293 53.050 -0.055 0.000 1.114 129 N CB -0.014 38.446 38.487 -0.045 0.000 1.437 129 N HN 1.393 nan 8.380 nan 0.000 0.518 130 G N -0.649 108.119 108.800 -0.053 0.000 2.336 130 G HA2 0.416 3.712 3.960 -1.107 0.000 0.286 130 G HA3 0.416 3.712 3.960 -1.107 0.000 0.286 130 G C -0.433 174.434 174.900 -0.055 0.000 1.269 130 G CA -0.321 44.751 45.100 -0.047 0.000 0.873 130 G HN 0.522 nan 8.290 nan 0.000 0.494 131 G N -1.354 107.415 108.800 -0.052 0.000 2.583 131 G HA2 0.581 3.877 3.960 -1.107 0.000 0.280 131 G HA3 0.581 3.877 3.960 -1.107 0.000 0.280 131 G C 1.143 175.991 174.900 -0.087 0.000 1.376 131 G CA 0.246 45.311 45.100 -0.059 0.000 1.043 131 G HN 1.252 nan 8.290 nan 0.000 0.538 132 L N -0.336 120.826 121.223 -0.102 0.000 2.043 132 L HA -0.094 3.582 4.340 -1.107 0.000 0.212 132 L C 2.554 179.324 176.870 -0.167 0.000 1.075 132 L CA 2.815 57.558 54.840 -0.163 0.000 0.752 132 L CB -0.540 41.404 42.059 -0.193 0.000 0.891 132 L HN 0.839 nan 8.230 nan 0.000 0.432 133 E N -1.069 119.067 120.200 -0.106 0.000 2.085 133 E HA -0.318 3.368 4.350 -1.107 0.000 0.194 133 E C 2.103 178.658 176.600 -0.076 0.000 0.994 133 E CA 1.555 57.909 56.400 -0.077 0.000 0.801 133 E CB -0.061 29.622 29.700 -0.028 0.000 0.743 133 E HN 0.601 nan 8.360 nan 0.000 0.453 134 Q N -0.001 119.756 119.800 -0.072 0.000 2.167 134 Q HA -0.045 3.631 4.340 -1.107 0.000 0.202 134 Q C 1.856 177.799 176.000 -0.095 0.000 0.970 134 Q CA 1.518 57.281 55.803 -0.068 0.000 0.855 134 Q CB -0.239 28.464 28.738 -0.059 0.000 0.911 134 Q HN 0.398 nan 8.270 nan 0.000 0.438 135 A N 0.100 122.844 122.820 -0.127 0.000 1.898 135 A HA -0.101 3.555 4.320 -1.107 0.000 0.216 135 A C 1.950 179.430 177.584 -0.173 0.000 1.181 135 A CA 0.980 52.918 52.037 -0.164 0.000 0.620 135 A CB -0.584 18.306 19.000 -0.183 0.000 0.819 135 A HN 0.348 nan 8.150 nan 0.000 0.442 136 L N -1.069 120.052 121.223 -0.171 0.000 2.201 136 L HA -0.126 3.550 4.340 -1.107 0.000 0.212 136 L C 2.748 179.564 176.870 -0.089 0.000 1.105 136 L CA 1.437 56.188 54.840 -0.148 0.000 0.775 136 L CB -0.441 41.523 42.059 -0.159 0.000 0.913 136 L HN 0.478 nan 8.230 nan 0.000 0.440 137 R N 0.425 120.881 120.500 -0.073 0.000 2.062 137 R HA -0.147 3.529 4.340 -1.107 0.000 0.229 137 R C 2.368 178.651 176.300 -0.028 0.000 1.128 137 R CA 1.063 57.140 56.100 -0.038 0.000 0.960 137 R CB -0.133 30.150 30.300 -0.029 0.000 0.855 137 R HN 0.264 nan 8.270 nan 0.000 0.432 138 L N 1.289 122.477 121.223 -0.059 0.000 2.056 138 L HA -0.118 3.558 4.340 -1.107 0.000 0.207 138 L C 1.900 178.744 176.870 -0.042 0.000 1.078 138 L CA 1.621 56.434 54.840 -0.046 0.000 0.749 138 L CB -0.572 41.416 42.059 -0.118 0.000 0.901 138 L HN 0.356 nan 8.230 nan 0.000 0.433 139 L N 0.101 121.241 121.223 -0.140 0.000 2.362 139 L HA -0.100 3.575 4.340 -1.107 0.000 0.219 139 L C 2.500 179.393 176.870 0.040 0.000 1.134 139 L CA 0.693 55.463 54.840 -0.117 0.000 0.807 139 L CB -0.548 41.417 42.059 -0.158 0.000 0.927 139 L HN 0.306 nan 8.230 nan 0.000 0.447 140 A N -1.248 121.588 122.820 0.026 0.000 2.208 140 A HA 0.069 3.725 4.320 -1.107 0.000 0.209 140 A C 1.343 178.970 177.584 0.072 0.000 1.161 140 A CA 0.080 52.137 52.037 0.033 0.000 0.782 140 A CB -0.109 18.894 19.000 0.005 0.000 0.816 140 A HN 0.265 nan 8.150 nan 0.000 0.477 141 S N 0.662 116.436 115.700 0.124 0.000 2.584 141 S HA 0.229 4.035 4.470 -1.107 0.000 0.270 141 S C -1.491 173.160 174.600 0.084 0.000 1.346 141 S CA -0.733 57.537 58.200 0.117 0.000 1.018 141 S CB 0.750 64.049 63.200 0.165 0.000 0.899 141 S HN 0.155 nan 8.310 nan 0.000 0.542 142 P HA -0.083 nan 4.420 nan 0.000 0.217 142 P C 0.675 177.939 177.300 -0.060 0.000 1.148 142 P CA 1.080 64.181 63.100 0.001 0.000 0.828 142 P CB 0.067 31.766 31.700 -0.000 0.000 0.783 143 N N -2.438 116.171 118.700 -0.151 0.000 2.309 143 N HA -0.140 3.936 4.740 -1.107 0.000 0.182 143 N C 1.010 176.223 175.510 -0.495 0.000 1.018 143 N CA 1.121 53.944 53.050 -0.377 0.000 0.876 143 N CB -0.356 37.768 38.487 -0.605 0.000 0.972 143 N HN 0.268 nan 8.380 nan 0.000 0.434 144 Y N -1.590 118.708 120.300 -0.003 0.000 2.483 144 Y HA 0.348 4.233 4.550 -1.107 0.000 0.258 144 Y C 0.266 176.163 175.900 -0.005 0.000 1.083 144 Y CA 0.048 58.145 58.100 -0.005 0.000 1.283 144 Y CB 0.373 38.826 38.460 -0.012 0.000 1.178 144 Y HN -0.222 nan 8.280 nan 0.000 0.515 145 T N 3.815 118.439 114.554 0.117 0.000 2.792 145 T HA 0.216 3.902 4.350 -1.107 0.000 0.280 145 T C -2.007 172.714 174.700 0.035 0.000 0.990 145 T CA -1.389 60.751 62.100 0.067 0.000 0.960 145 T CB 1.909 70.808 68.868 0.053 0.000 0.939 145 T HN -0.033 nan 8.240 nan 0.000 0.439 146 P HA 0.099 nan 4.420 nan 0.000 0.255 146 P C 1.478 178.800 177.300 0.036 0.000 1.248 146 P CA 0.144 63.260 63.100 0.027 0.000 0.807 146 P CB 0.387 32.097 31.700 0.016 0.000 1.150 147 S N 0.236 115.958 115.700 0.036 0.000 2.390 147 S HA -0.133 3.673 4.470 -1.107 0.000 0.234 147 S C 1.136 175.771 174.600 0.059 0.000 1.063 147 S CA 0.924 59.147 58.200 0.039 0.000 1.108 147 S CB -0.614 62.600 63.200 0.024 0.000 0.975 147 S HN 0.016 nan 8.310 nan 0.000 0.442 148 I N 2.441 123.062 120.570 0.084 0.000 2.379 148 I HA 0.162 3.668 4.170 -1.107 0.000 0.290 148 I C 1.371 177.514 176.117 0.043 0.000 1.063 148 I CA 0.156 61.501 61.300 0.076 0.000 1.351 148 I CB 0.820 38.876 38.000 0.093 0.000 1.410 148 I HN 0.508 nan 8.210 nan 0.000 0.505 149 E N 4.628 124.849 120.200 0.035 0.000 2.016 149 E HA -0.070 3.616 4.350 -1.107 0.000 0.190 149 E C -0.155 176.441 176.600 -0.006 0.000 0.985 149 E CA 1.111 57.525 56.400 0.022 0.000 0.802 149 E CB 0.411 30.127 29.700 0.027 0.000 0.762 149 E HN 0.626 nan 8.360 nan 0.000 0.448 150 T N 0.728 115.260 114.554 -0.036 0.000 2.886 150 T HA 0.429 4.115 4.350 -1.107 0.000 0.292 150 T C -1.099 173.466 174.700 -0.224 0.000 1.012 150 T CA -0.725 61.273 62.100 -0.170 0.000 0.982 150 T CB 2.110 70.803 68.868 -0.293 0.000 1.018 150 T HN -0.090 nan 8.240 nan 0.000 0.451 151 V N 3.731 123.510 119.914 -0.224 0.000 2.407 151 V HA 0.431 3.887 4.120 -1.107 0.000 0.278 151 V C -1.159 174.822 176.094 -0.187 0.000 1.037 151 V CA -0.650 61.585 62.300 -0.109 0.000 0.900 151 V CB 0.498 32.322 31.823 0.002 0.000 0.983 151 V HN 0.795 nan 8.190 nan 0.000 0.459 152 Y N 2.904 123.276 120.300 0.121 0.000 2.328 152 Y HA 0.407 4.293 4.550 -1.107 0.000 0.336 152 Y C 0.351 176.363 175.900 0.187 0.000 0.960 152 Y CA -0.563 57.636 58.100 0.164 0.000 1.134 152 Y CB 1.638 40.122 38.460 0.039 0.000 1.166 152 Y HN 0.693 nan 8.280 nan 0.000 0.464 153 C N 7.051 126.612 119.300 0.435 0.000 2.482 153 C HA 0.425 4.221 4.460 -1.107 0.000 0.378 153 C C 1.391 176.588 174.990 0.344 0.000 1.284 153 C CA -0.480 58.714 59.018 0.294 0.000 1.826 153 C CB -1.859 26.098 27.740 0.362 0.000 2.473 153 C HN 0.940 nan 8.230 nan 0.000 0.562 154 I N 4.303 125.008 120.570 0.224 0.000 4.025 154 I HA 0.582 4.088 4.170 -1.107 0.000 0.336 154 I C 0.556 176.717 176.117 0.074 0.000 1.390 154 I CA 0.287 61.755 61.300 0.280 0.000 1.099 154 I CB -0.284 37.950 38.000 0.391 0.000 1.049 154 I HN 0.844 nan 8.210 nan 0.000 0.394 155 G N -0.066 108.566 108.800 -0.281 0.000 2.329 155 G HA2 0.444 3.740 3.960 -1.107 0.000 0.308 155 G HA3 0.444 3.740 3.960 -1.107 0.000 0.308 155 G C -0.508 174.096 174.900 -0.495 0.000 1.587 155 G CA -0.129 44.678 45.100 -0.488 0.000 0.978 155 G HN 0.969 nan 8.290 nan 0.000 0.685 156 G N -1.126 107.402 108.800 -0.453 0.000 3.313 156 G HA2 0.481 3.777 3.960 -1.107 0.000 0.659 156 G HA3 0.481 3.777 3.960 -1.107 0.000 0.659 156 G C 1.099 175.900 174.900 -0.165 0.000 1.286 156 G CA 0.816 45.783 45.100 -0.222 0.000 1.077 156 G HN 2.141 nan 8.290 nan 0.000 0.551 157 G N 0.982 109.820 108.800 0.063 0.000 2.469 157 G HA2 -0.093 3.202 3.960 -1.107 0.000 0.220 157 G HA3 -0.093 3.202 3.960 -1.107 0.000 0.220 157 G C 2.149 177.134 174.900 0.142 0.000 1.136 157 G CA 2.037 47.263 45.100 0.210 0.000 0.759 157 G HN 1.780 nan 8.290 nan 0.000 0.562 158 S N -0.497 115.229 115.700 0.043 0.000 2.383 158 S HA -0.066 3.739 4.470 -1.107 0.000 0.227 158 S C 2.434 177.041 174.600 0.012 0.000 1.026 158 S CA 1.500 59.717 58.200 0.029 0.000 0.981 158 S CB -0.164 63.036 63.200 0.000 0.000 0.818 158 S HN 0.140 nan 8.310 nan 0.000 0.472 159 V N 0.660 120.535 119.914 -0.066 0.000 2.488 159 V HA -0.023 3.433 4.120 -1.107 0.000 0.246 159 V C 2.085 178.189 176.094 0.016 0.000 1.046 159 V CA 1.310 63.554 62.300 -0.093 0.000 1.053 159 V CB -0.985 30.712 31.823 -0.210 0.000 0.679 159 V HN 0.483 nan 8.190 nan 0.000 0.458 160 Y N 1.132 121.520 120.300 0.147 0.000 2.200 160 Y HA -0.098 3.788 4.550 -1.107 0.000 0.290 160 Y C 2.615 178.621 175.900 0.178 0.000 1.137 160 Y CA 0.893 59.136 58.100 0.239 0.000 1.163 160 Y CB -1.268 37.411 38.460 0.366 0.000 0.988 160 Y HN 0.180 nan 8.280 nan 0.000 0.518 161 A N -0.073 122.917 122.820 0.284 0.000 1.908 161 A HA -0.264 3.392 4.320 -1.107 0.000 0.218 161 A C 2.239 179.898 177.584 0.125 0.000 1.181 161 A CA 1.994 54.127 52.037 0.161 0.000 0.627 161 A CB -0.760 18.313 19.000 0.121 0.000 0.818 161 A HN 0.525 nan 8.150 nan 0.000 0.445 162 E N -0.412 119.854 120.200 0.111 0.000 2.150 162 E HA -0.068 3.618 4.350 -1.107 0.000 0.193 162 E C 2.087 178.761 176.600 0.123 0.000 0.985 162 E CA 0.786 57.236 56.400 0.083 0.000 0.814 162 E CB -0.195 29.527 29.700 0.036 0.000 0.752 162 E HN 0.559 nan 8.360 nan 0.000 0.466 163 A N 0.659 123.594 122.820 0.192 0.000 1.969 163 A HA -0.066 3.590 4.320 -1.107 0.000 0.218 163 A C 1.924 179.687 177.584 0.299 0.000 1.169 163 A CA 0.708 52.950 52.037 0.342 0.000 0.635 163 A CB -0.245 19.059 19.000 0.507 0.000 0.810 163 A HN 0.271 nan 8.150 nan 0.000 0.445 164 L N -0.353 120.979 121.223 0.182 0.000 2.611 164 L HA 0.142 3.818 4.340 -1.107 0.000 0.229 164 L C 0.920 177.828 176.870 0.064 0.000 1.137 164 L CA -0.146 54.741 54.840 0.078 0.000 0.901 164 L CB -0.275 41.757 42.059 -0.045 0.000 1.098 164 L HN 0.508 nan 8.230 nan 0.000 0.456 165 R N -1.395 119.152 120.500 0.078 0.000 2.867 165 R HA 0.628 4.304 4.340 -1.107 0.000 0.268 165 R C -2.998 173.326 176.300 0.040 0.000 1.014 165 R CA -2.085 54.045 56.100 0.050 0.000 0.946 165 R CB 0.642 30.974 30.300 0.054 0.000 1.208 165 R HN -0.309 nan 8.270 nan 0.000 0.477 166 P HA 0.083 nan 4.420 nan 0.000 0.269 166 P C -1.826 175.533 177.300 0.100 0.000 1.209 166 P CA -0.995 62.143 63.100 0.063 0.000 0.776 166 P CB 0.579 32.364 31.700 0.142 0.000 0.876 167 P HA 0.030 nan 4.420 nan 0.000 0.239 167 P C 0.582 178.000 177.300 0.197 0.000 1.188 167 P CA 0.510 63.734 63.100 0.206 0.000 0.794 167 P CB -0.037 31.767 31.700 0.173 0.000 0.937 168 C N 0.012 119.407 119.300 0.159 0.000 2.413 168 C HA -0.087 3.709 4.460 -1.107 0.000 0.277 168 C C 2.821 178.012 174.990 0.334 0.000 1.265 168 C CA 0.709 59.872 59.018 0.242 0.000 1.752 168 C CB -1.760 26.087 27.740 0.180 0.000 1.998 168 C HN 0.131 nan 8.230 nan 0.000 0.489 169 V N 0.553 120.567 119.914 0.167 0.000 2.720 169 V HA -0.190 3.266 4.120 -1.107 0.000 0.256 169 V C 2.255 178.385 176.094 0.059 0.000 1.082 169 V CA 1.876 64.252 62.300 0.128 0.000 1.101 169 V CB -0.802 31.050 31.823 0.048 0.000 0.693 169 V HN 0.631 nan 8.190 nan 0.000 0.479 170 H N -0.852 118.345 119.070 0.212 0.000 2.555 170 H HA 0.123 4.015 4.556 -1.107 0.000 0.269 170 H C 1.621 177.060 175.328 0.186 0.000 0.988 170 H CA 0.981 57.127 56.048 0.163 0.000 1.178 170 H CB 0.243 30.088 29.762 0.138 0.000 1.373 170 H HN 0.416 nan 8.280 nan 0.000 0.588 171 L N 0.283 121.680 121.223 0.291 0.000 2.693 171 L HA 0.113 3.789 4.340 -1.107 0.000 0.235 171 L C 0.241 177.126 176.870 0.025 0.000 1.127 171 L CA -0.147 54.841 54.840 0.247 0.000 0.914 171 L CB 0.589 42.826 42.059 0.297 0.000 1.193 171 L HN -0.024 nan 8.230 nan 0.000 0.502 172 L N 0.784 121.929 121.223 -0.130 0.000 2.385 172 L HA 0.120 3.796 4.340 -1.107 0.000 0.281 172 L C 1.237 178.075 176.870 -0.053 0.000 1.106 172 L CA 0.689 55.229 54.840 -0.500 0.000 0.856 172 L CB 0.402 42.313 42.059 -0.248 0.000 1.186 172 L HN 0.150 nan 8.230 nan 0.000 0.453 173 Q N 4.433 124.172 119.800 -0.102 0.000 2.331 173 Q HA 0.357 4.033 4.340 -1.107 0.000 0.203 173 Q C 0.140 176.195 176.000 0.091 0.000 0.944 173 Q CA 0.846 56.675 55.803 0.043 0.000 0.892 173 Q CB 0.317 29.087 28.738 0.054 0.000 0.983 173 Q HN 0.750 nan 8.270 nan 0.000 0.482 174 A N 0.176 123.039 122.820 0.071 0.000 2.590 174 A HA 0.603 4.259 4.320 -1.107 0.000 0.294 174 A C -1.525 176.027 177.584 -0.054 0.000 1.046 174 A CA -0.697 51.355 52.037 0.025 0.000 0.684 174 A CB 0.776 19.694 19.000 -0.137 0.000 1.279 174 A HN 0.107 nan 8.150 nan 0.000 0.415 175 I N 1.378 121.859 120.570 -0.148 0.000 2.406 175 I HA 0.390 3.896 4.170 -1.107 0.000 0.290 175 I C -1.458 174.574 176.117 -0.142 0.000 0.999 175 I CA -0.453 60.795 61.300 -0.086 0.000 1.124 175 I CB 1.630 39.539 38.000 -0.150 0.000 1.289 175 I HN 0.641 nan 8.210 nan 0.000 0.441 176 Y N 5.762 126.158 120.300 0.158 0.000 2.478 176 Y HA 0.436 4.321 4.550 -1.107 0.000 0.329 176 Y C 0.196 176.184 175.900 0.146 0.000 0.967 176 Y CA -0.571 57.659 58.100 0.216 0.000 1.255 176 Y CB 0.887 39.560 38.460 0.355 0.000 1.103 176 Y HN 0.429 nan 8.280 nan 0.000 0.497 177 R N 2.014 122.626 120.500 0.186 0.000 2.445 177 R HA 0.549 4.225 4.340 -1.107 0.000 0.308 177 R C -1.152 175.171 176.300 0.038 0.000 0.961 177 R CA -0.378 55.749 56.100 0.046 0.000 0.862 177 R CB 1.212 31.510 30.300 -0.005 0.000 1.144 177 R HN 0.554 nan 8.270 nan 0.000 0.447 178 T N 3.078 117.617 114.554 -0.024 0.000 2.771 178 T HA 0.272 3.958 4.350 -1.107 0.000 0.281 178 T C -0.619 173.880 174.700 -0.335 0.000 0.982 178 T CA -0.228 61.771 62.100 -0.169 0.000 0.978 178 T CB 1.546 70.388 68.868 -0.043 0.000 0.930 178 T HN 0.457 nan 8.240 nan 0.000 0.447 179 T N 4.476 118.648 114.554 -0.637 0.000 2.771 179 T HA 0.592 4.278 4.350 -1.107 0.000 0.281 179 T C -0.045 174.312 174.700 -0.572 0.000 0.982 179 T CA -0.464 61.234 62.100 -0.671 0.000 0.978 179 T CB 0.391 68.657 68.868 -1.002 0.000 0.930 179 T HN 0.413 nan 8.240 nan 0.000 0.447 180 I N 2.405 122.692 120.570 -0.471 0.000 2.474 180 I HA 0.443 3.949 4.170 -1.107 0.000 0.294 180 I C 0.640 176.519 176.117 -0.396 0.000 1.005 180 I CA -0.977 60.081 61.300 -0.402 0.000 1.113 180 I CB 1.954 39.641 38.000 -0.522 0.000 1.289 180 I HN 0.356 nan 8.210 nan 0.000 0.436 181 R N 5.453 125.807 120.500 -0.243 0.000 2.878 181 R HA 0.422 4.097 4.340 -1.107 0.000 0.239 181 R C -0.307 175.848 176.300 -0.241 0.000 1.515 181 R CA -0.247 55.727 56.100 -0.209 0.000 1.210 181 R CB 0.030 30.263 30.300 -0.111 0.000 1.209 181 R HN 0.780 nan 8.270 nan 0.000 0.610 182 A N 2.535 125.142 122.820 -0.355 0.000 2.401 182 A HA 0.244 3.900 4.320 -1.107 0.000 0.259 182 A C -0.193 177.311 177.584 -0.134 0.000 1.103 182 A CA -0.262 51.583 52.037 -0.320 0.000 0.789 182 A CB 0.824 19.510 19.000 -0.523 0.000 1.035 182 A HN 0.659 nan 8.150 nan 0.000 0.491 183 S N 1.833 117.498 115.700 -0.058 0.000 2.411 183 S HA 0.338 4.144 4.470 -1.107 0.000 0.294 183 S C 0.433 175.052 174.600 0.033 0.000 1.115 183 S CA -0.314 57.881 58.200 -0.008 0.000 1.071 183 S CB 0.487 63.687 63.200 0.000 0.000 0.967 183 S HN 0.831 nan 8.310 nan 0.000 0.488 184 E N 0.835 121.065 120.200 0.050 0.000 3.065 184 E HA -0.186 3.500 4.350 -1.107 0.000 0.277 184 E C -0.571 176.086 176.600 0.095 0.000 1.008 184 E CA 0.522 56.966 56.400 0.073 0.000 0.864 184 E CB -1.132 28.602 29.700 0.056 0.000 1.439 184 E HN 0.543 nan 8.360 nan 0.000 0.445 185 S N 1.304 117.071 115.700 0.112 0.000 4.087 185 S HA 0.117 3.923 4.470 -1.107 0.000 0.213 185 S C 0.090 174.803 174.600 0.187 0.000 1.415 185 S CA 0.105 58.408 58.200 0.172 0.000 0.893 185 S CB 0.267 63.629 63.200 0.270 0.000 1.529 185 S HN 0.350 nan 8.310 nan 0.000 0.457 186 S N 1.049 116.835 115.700 0.145 0.000 2.455 186 S HA 0.317 4.123 4.470 -1.107 0.000 0.278 186 S C 0.632 175.283 174.600 0.085 0.000 1.216 186 S CA -0.760 57.521 58.200 0.135 0.000 1.055 186 S CB -0.140 63.120 63.200 0.100 0.000 0.939 186 S HN 0.530 nan 8.310 nan 0.000 0.494 187 C N 2.854 122.177 119.300 0.040 0.000 1.860 187 C HA 0.703 4.499 4.460 -1.107 0.000 0.305 187 C C 1.975 176.861 174.990 -0.173 0.000 2.992 187 C CA -0.414 58.564 59.018 -0.066 0.000 1.874 187 C CB 0.514 28.199 27.740 -0.092 0.000 2.420 187 C HN 0.979 nan 8.230 nan 0.000 0.313 188 S N -1.279 114.249 115.700 -0.287 0.000 3.265 188 S HA 0.134 3.939 4.470 -1.107 0.000 0.259 188 S C -0.137 174.226 174.600 -0.395 0.000 1.089 188 S CA 0.030 58.081 58.200 -0.248 0.000 0.811 188 S CB -0.012 63.136 63.200 -0.087 0.000 0.858 188 S HN 0.457 nan 8.310 nan 0.000 0.452 189 V N 3.719 123.443 119.914 -0.317 0.000 2.488 189 V HA 0.407 3.863 4.120 -1.107 0.000 0.277 189 V C -1.008 174.902 176.094 -0.306 0.000 1.046 189 V CA 0.087 62.281 62.300 -0.178 0.000 0.986 189 V CB -0.029 31.782 31.823 -0.019 0.000 0.989 189 V HN 0.285 nan 8.190 nan 0.000 0.475 190 F N 4.397 124.422 119.950 0.124 0.000 2.458 190 F HA 0.492 4.355 4.527 -1.107 0.000 0.336 190 F C -0.224 175.663 175.800 0.145 0.000 1.114 190 F CA -0.635 57.445 58.000 0.133 0.000 0.987 190 F CB 1.596 40.648 39.000 0.086 0.000 1.130 190 F HN 0.442 nan 8.300 nan 0.000 0.458 191 F N 5.528 125.590 119.950 0.187 0.000 2.404 191 F HA 0.541 4.403 4.527 -1.107 0.000 0.358 191 F C -0.113 175.714 175.800 0.045 0.000 1.120 191 F CA -0.630 57.400 58.000 0.049 0.000 1.144 191 F CB 0.276 39.221 39.000 -0.092 0.000 1.133 191 F HN 0.510 nan 8.300 nan 0.000 0.495 192 R N 5.195 125.397 120.500 -0.496 0.000 2.532 192 R HA 0.674 4.350 4.340 -1.107 0.000 0.297 192 R C -2.112 173.859 176.300 -0.549 0.000 0.984 192 R CA -1.011 54.862 56.100 -0.378 0.000 0.884 192 R CB 1.265 31.479 30.300 -0.144 0.000 1.182 192 R HN 0.345 nan 8.270 nan 0.000 0.442 193 V N 4.189 123.833 119.914 -0.449 0.000 2.488 193 V HA 0.223 3.679 4.120 -1.107 0.000 0.277 193 V C -1.784 174.196 176.094 -0.190 0.000 1.046 193 V CA -1.661 60.386 62.300 -0.423 0.000 0.986 193 V CB 0.801 32.416 31.823 -0.347 0.000 0.989 193 V HN 0.746 nan 8.190 nan 0.000 0.475 194 P HA 0.083 nan 4.420 nan 0.000 0.262 194 P C 0.037 177.404 177.300 0.111 0.000 1.182 194 P CA 0.131 63.248 63.100 0.028 0.000 0.761 194 P CB 0.445 32.204 31.700 0.098 0.000 0.795 195 E N 1.077 121.317 120.200 0.068 0.000 2.390 195 E HA 0.141 3.827 4.350 -1.107 0.000 0.261 195 E C -0.046 176.605 176.600 0.085 0.000 1.076 195 E CA -0.224 56.220 56.400 0.074 0.000 0.905 195 E CB 0.480 30.202 29.700 0.038 0.000 0.984 195 E HN 0.401 nan 8.360 nan 0.000 0.427 196 S N 0.744 116.490 115.700 0.075 0.000 2.549 196 S HA 0.256 4.062 4.470 -1.107 0.000 0.286 196 S C 1.047 175.666 174.600 0.031 0.000 1.314 196 S CA 0.470 58.699 58.200 0.048 0.000 1.062 196 S CB 0.875 64.094 63.200 0.031 0.000 0.865 196 S HN 0.848 nan 8.310 nan 0.000 0.498 197 G N 2.247 111.060 108.800 0.023 0.000 2.225 197 G HA2 -0.285 3.011 3.960 -1.107 0.000 0.254 197 G HA3 -0.285 3.011 3.960 -1.107 0.000 0.254 197 G C 0.310 175.224 174.900 0.023 0.000 0.988 197 G CA 0.277 45.388 45.100 0.018 0.000 0.625 197 G HN 1.070 nan 8.290 nan 0.000 0.527 198 T N -1.590 112.983 114.554 0.032 0.000 2.899 198 T HA 0.620 4.306 4.350 -1.107 0.000 0.284 198 T C 1.164 175.886 174.700 0.037 0.000 1.004 198 T CA 0.450 62.569 62.100 0.031 0.000 1.043 198 T CB 1.756 70.642 68.868 0.031 0.000 1.013 198 T HN 0.286 nan 8.240 nan 0.000 0.518 199 E N 1.065 121.285 120.200 0.033 0.000 2.118 199 E HA -0.149 3.537 4.350 -1.107 0.000 0.195 199 E C 2.430 179.059 176.600 0.047 0.000 0.992 199 E CA 1.143 57.566 56.400 0.038 0.000 0.804 199 E CB -0.414 29.305 29.700 0.032 0.000 0.741 199 E HN 0.831 nan 8.360 nan 0.000 0.458 200 A N 1.635 124.481 122.820 0.043 0.000 1.940 200 A HA -0.120 3.536 4.320 -1.107 0.000 0.219 200 A C 2.392 180.016 177.584 0.067 0.000 1.176 200 A CA 1.636 53.700 52.037 0.046 0.000 0.631 200 A CB -0.538 18.480 19.000 0.030 0.000 0.814 200 A HN 0.291 nan 8.150 nan 0.000 0.446 201 A N -1.377 121.493 122.820 0.082 0.000 2.121 201 A HA 0.371 4.026 4.320 -1.107 0.000 0.218 201 A C 1.643 179.288 177.584 0.101 0.000 1.154 201 A CA 1.339 53.450 52.037 0.124 0.000 0.679 201 A CB -0.965 18.108 19.000 0.121 0.000 0.795 201 A HN 2.086 nan 8.150 nan 0.000 0.458 202 A N -2.602 120.271 122.820 0.088 0.000 2.745 202 A HA 0.152 3.808 4.320 -1.107 0.000 0.296 202 A C 1.953 179.617 177.584 0.134 0.000 1.500 202 A CA 1.473 53.583 52.037 0.120 0.000 0.766 202 A CB -1.966 17.119 19.000 0.142 0.000 1.030 202 A HN 2.535 nan 8.150 nan 0.000 0.489 203 G N -2.559 106.283 108.800 0.070 0.000 2.205 203 G HA2 -0.254 3.042 3.960 -1.107 0.000 0.261 203 G HA3 -0.254 3.042 3.960 -1.107 0.000 0.261 203 G C 0.215 175.106 174.900 -0.015 0.000 0.980 203 G CA 0.439 45.560 45.100 0.035 0.000 0.632 203 G HN 1.485 nan 8.290 nan 0.000 0.533 204 I N 1.055 121.601 120.570 -0.040 0.000 2.472 204 I HA 0.390 3.896 4.170 -1.107 0.000 0.290 204 I C 0.227 176.187 176.117 -0.263 0.000 1.016 204 I CA -0.298 60.868 61.300 -0.222 0.000 1.348 204 I CB 1.178 38.966 38.000 -0.353 0.000 1.417 204 I HN 0.087 nan 8.210 nan 0.000 0.521 205 E N 5.444 125.437 120.200 -0.346 0.000 2.183 205 E HA 0.197 3.883 4.350 -1.107 0.000 0.250 205 E C -1.588 174.848 176.600 -0.272 0.000 0.901 205 E CA -0.496 55.778 56.400 -0.211 0.000 0.741 205 E CB 0.798 30.424 29.700 -0.123 0.000 1.182 205 E HN 0.383 nan 8.360 nan 0.000 0.425 206 W N 3.192 124.488 121.300 -0.007 0.000 2.266 206 W HA 0.107 4.103 4.660 -1.105 0.000 0.317 206 W C 0.642 177.160 176.519 -0.002 0.000 1.310 206 W CA -0.181 57.160 57.345 -0.007 0.000 1.207 206 W CB 0.603 30.059 29.460 -0.008 0.000 1.199 206 W HN 0.401 nan 8.180 nan 0.000 0.544 207 Q N 1.874 121.809 119.800 0.224 0.000 2.456 207 Q HA 0.599 4.274 4.340 -1.107 0.000 0.283 207 Q C -0.818 175.268 176.000 0.142 0.000 1.084 207 Q CA -1.419 54.468 55.803 0.139 0.000 0.801 207 Q CB 1.794 30.572 28.738 0.065 0.000 1.434 207 Q HN 0.412 nan 8.270 nan 0.000 0.419 208 R N 1.001 121.565 120.500 0.108 0.000 2.316 208 R HA 0.034 3.710 4.340 -1.107 0.000 0.314 208 R C 0.591 176.943 176.300 0.087 0.000 1.069 208 R CA 0.092 56.250 56.100 0.097 0.000 0.959 208 R CB 0.740 31.091 30.300 0.085 0.000 0.987 208 R HN 0.850 nan 8.270 nan 0.000 0.446 209 E N 1.809 122.062 120.200 0.088 0.000 2.086 209 E HA -0.065 3.621 4.350 -1.107 0.000 0.190 209 E C -0.071 176.590 176.600 0.101 0.000 0.975 209 E CA 1.006 57.466 56.400 0.100 0.000 0.813 209 E CB 0.495 30.252 29.700 0.096 0.000 0.768 209 E HN 0.665 nan 8.360 nan 0.000 0.457 210 T N -1.650 112.961 114.554 0.095 0.000 2.883 210 T HA 0.608 4.294 4.350 -1.107 0.000 0.301 210 T C -0.682 174.083 174.700 0.107 0.000 1.158 210 T CA -0.912 61.248 62.100 0.100 0.000 1.007 210 T CB 1.925 70.861 68.868 0.114 0.000 1.186 210 T HN 0.137 nan 8.240 nan 0.000 0.499 211 I N 1.895 122.525 120.570 0.100 0.000 2.649 211 I HA 0.497 4.003 4.170 -1.107 0.000 0.289 211 I C -0.066 176.108 176.117 0.094 0.000 1.222 211 I CA -0.479 60.889 61.300 0.114 0.000 1.046 211 I CB 2.064 40.104 38.000 0.066 0.000 1.272 211 I HN 1.105 nan 8.210 nan 0.000 0.425 212 S N 5.845 121.633 115.700 0.147 0.000 2.634 212 S HA 0.440 4.246 4.470 -1.107 0.000 0.261 212 S C -0.018 174.593 174.600 0.018 0.000 1.271 212 S CA -0.604 57.665 58.200 0.114 0.000 0.985 212 S CB 1.018 64.349 63.200 0.219 0.000 0.968 212 S HN 0.627 nan 8.310 nan 0.000 0.568 213 E N 0.534 120.726 120.200 -0.014 0.000 2.345 213 E HA 0.153 3.839 4.350 -1.107 0.000 0.259 213 E C -0.084 176.444 176.600 -0.120 0.000 1.117 213 E CA -0.381 55.974 56.400 -0.076 0.000 0.913 213 E CB 0.440 30.106 29.700 -0.057 0.000 1.057 213 E HN 0.810 nan 8.360 nan 0.000 0.432 214 E N 1.365 121.468 120.200 -0.162 0.000 2.376 214 E HA 0.111 3.797 4.350 -1.107 0.000 0.266 214 E C -0.722 175.737 176.600 -0.234 0.000 1.009 214 E CA -0.037 56.251 56.400 -0.187 0.000 0.902 214 E CB 0.366 29.968 29.700 -0.163 0.000 0.972 214 E HN 0.247 nan 8.360 nan 0.000 0.439 215 L N 2.912 123.873 121.223 -0.437 0.000 2.313 215 L HA 0.478 4.153 4.340 -1.107 0.000 0.268 215 L C -0.102 176.508 176.870 -0.434 0.000 1.010 215 L CA -0.988 53.548 54.840 -0.508 0.000 0.814 215 L CB 2.225 43.795 42.059 -0.815 0.000 1.304 215 L HN 0.461 nan 8.230 nan 0.000 0.441 216 T N 0.284 114.746 114.554 -0.153 0.000 2.786 216 T HA 0.210 3.895 4.350 -1.107 0.000 0.283 216 T C -0.195 174.634 174.700 0.215 0.000 0.992 216 T CA -0.322 61.796 62.100 0.030 0.000 0.954 216 T CB 1.501 70.377 68.868 0.013 0.000 0.934 216 T HN 0.552 nan 8.240 nan 0.000 0.440 217 S N 1.993 117.889 115.700 0.326 0.000 2.564 217 S HA 0.374 4.180 4.470 -1.107 0.000 0.278 217 S C 1.444 176.112 174.600 0.113 0.000 1.333 217 S CA -0.367 57.976 58.200 0.239 0.000 1.048 217 S CB 0.387 63.638 63.200 0.085 0.000 0.900 217 S HN 0.814 nan 8.310 nan 0.000 0.505 218 A N 4.418 127.289 122.820 0.085 0.000 2.206 218 A HA 0.088 3.744 4.320 -1.107 0.000 0.211 218 A C 1.018 178.623 177.584 0.034 0.000 1.158 218 A CA 0.491 52.561 52.037 0.055 0.000 0.761 218 A CB -1.208 17.823 19.000 0.051 0.000 0.801 218 A HN 1.002 nan 8.150 nan 0.000 0.473 219 N N -0.808 117.908 118.700 0.026 0.000 2.256 219 N HA 0.143 4.219 4.740 -1.107 0.000 0.252 219 N C 1.343 176.864 175.510 0.019 0.000 1.274 219 N CA 0.233 53.292 53.050 0.016 0.000 0.872 219 N CB -0.115 38.377 38.487 0.008 0.000 0.982 219 N HN -0.027 nan 8.380 nan 0.000 0.445 220 G N -1.036 107.774 108.800 0.016 0.000 2.408 220 G HA2 -0.163 3.133 3.960 -1.107 0.000 0.215 220 G HA3 -0.163 3.133 3.960 -1.107 0.000 0.215 220 G C 0.632 175.543 174.900 0.017 0.000 1.156 220 G CA 0.438 45.547 45.100 0.016 0.000 0.793 220 G HN 0.732 nan 8.290 nan 0.000 0.535 221 N N 0.548 119.259 118.700 0.019 0.000 2.235 221 N HA 0.202 4.277 4.740 -1.107 0.000 0.209 221 N C 0.092 175.612 175.510 0.018 0.000 1.122 221 N CA -0.027 53.033 53.050 0.017 0.000 0.845 221 N CB 0.336 38.833 38.487 0.016 0.000 1.004 221 N HN 0.310 nan 8.380 nan 0.000 0.499 222 E N -0.118 120.097 120.200 0.025 0.000 2.328 222 E HA -0.193 3.493 4.350 -1.107 0.000 0.233 222 E C -0.803 175.821 176.600 0.041 0.000 1.219 222 E CA 0.512 56.933 56.400 0.035 0.000 0.717 222 E CB -1.976 27.738 29.700 0.024 0.000 1.210 222 E HN 0.377 nan 8.360 nan 0.000 0.381 223 T N 1.774 116.353 114.554 0.042 0.000 2.905 223 T HA 0.014 3.700 4.350 -1.107 0.000 0.299 223 T C 0.534 175.298 174.700 0.107 0.000 1.024 223 T CA 0.063 62.186 62.100 0.038 0.000 1.151 223 T CB 0.613 69.484 68.868 0.005 0.000 0.987 223 T HN -0.007 nan 8.240 nan 0.000 0.535 224 K N 3.180 123.608 120.400 0.048 0.000 2.249 224 K HA 0.427 4.083 4.320 -1.107 0.000 0.280 224 K C -0.234 176.402 176.600 0.061 0.000 1.033 224 K CA -0.355 55.947 56.287 0.025 0.000 0.946 224 K CB 0.849 33.332 32.500 -0.029 0.000 1.005 224 K HN 0.827 nan 8.250 nan 0.000 0.469 225 Y N -0.324 119.901 120.300 -0.124 0.000 2.689 225 Y HA 0.646 4.532 4.550 -1.107 0.000 0.333 225 Y C -1.255 174.533 175.900 -0.187 0.000 1.208 225 Y CA -1.614 56.340 58.100 -0.243 0.000 1.055 225 Y CB 1.116 39.354 38.460 -0.370 0.000 1.304 225 Y HN 0.607 nan 8.280 nan 0.000 0.455 226 Y N -1.022 119.021 120.300 -0.429 0.000 2.689 226 Y HA 0.814 4.700 4.550 -1.107 0.000 0.333 226 Y C -2.351 173.250 175.900 -0.498 0.000 1.208 226 Y CA -2.454 55.349 58.100 -0.495 0.000 1.055 226 Y CB 1.174 39.467 38.460 -0.279 0.000 1.304 226 Y HN 0.603 nan 8.280 nan 0.000 0.455 227 F N 0.588 120.586 119.950 0.080 0.000 2.556 227 F HA 0.726 4.589 4.527 -1.107 0.000 0.327 227 F C -0.392 175.459 175.800 0.084 0.000 1.059 227 F CA -0.827 57.142 58.000 -0.052 0.000 0.953 227 F CB 2.331 41.190 39.000 -0.234 0.000 1.227 227 F HN 0.498 nan 8.300 nan 0.000 0.478 228 E N 0.834 121.191 120.200 0.262 0.000 2.366 228 E HA 0.302 3.987 4.350 -1.107 0.000 0.278 228 E C -1.495 175.198 176.600 0.155 0.000 0.923 228 E CA -1.203 55.318 56.400 0.202 0.000 0.761 228 E CB 3.125 32.936 29.700 0.185 0.000 1.231 228 E HN 0.364 nan 8.360 nan 0.000 0.443 229 K N 3.648 124.107 120.400 0.097 0.000 2.450 229 K HA 0.437 4.093 4.320 -1.107 0.000 0.257 229 K C -1.380 175.210 176.600 -0.017 0.000 0.953 229 K CA -0.422 55.841 56.287 -0.040 0.000 0.844 229 K CB 0.734 33.210 32.500 -0.040 0.000 1.103 229 K HN 0.454 nan 8.250 nan 0.000 0.429 230 L N 6.449 127.651 121.223 -0.035 0.000 2.325 230 L HA 0.633 4.308 4.340 -1.107 0.000 0.278 230 L C 0.003 176.991 176.870 0.198 0.000 1.023 230 L CA -1.097 53.807 54.840 0.106 0.000 0.811 230 L CB 1.384 43.510 42.059 0.112 0.000 1.249 230 L HN 0.585 nan 8.230 nan 0.000 0.431 231 I N -0.004 120.743 120.570 0.296 0.000 2.865 231 I HA 0.585 4.091 4.170 -1.107 0.000 0.302 231 I C -2.756 173.394 176.117 0.055 0.000 1.140 231 I CA -2.513 58.937 61.300 0.250 0.000 1.021 231 I CB 2.636 40.681 38.000 0.074 0.000 1.233 231 I HN 0.288 nan 8.210 nan 0.000 0.427 232 P HA 0.148 nan 4.420 nan 0.000 0.281 232 P C -0.590 176.492 177.300 -0.364 0.000 1.286 232 P CA -0.176 62.471 63.100 -0.754 0.000 0.772 232 P CB 0.809 32.001 31.700 -0.847 0.000 0.862 233 R N 4.065 124.388 120.500 -0.296 0.000 2.523 233 R HA -0.058 3.618 4.340 -1.107 0.000 0.281 233 R C 0.348 176.533 176.300 -0.192 0.000 0.969 233 R CA 0.277 56.269 56.100 -0.180 0.000 1.093 233 R CB -0.119 30.100 30.300 -0.135 0.000 0.917 233 R HN 0.379 nan 8.270 nan 0.000 0.408 234 N N 4.232 122.826 118.700 -0.175 0.000 2.801 234 N HA 0.067 4.143 4.740 -1.107 0.000 0.235 234 N C 0.267 175.685 175.510 -0.153 0.000 1.069 234 N CA -0.260 52.653 53.050 -0.228 0.000 0.946 234 N CB 0.574 38.851 38.487 -0.351 0.000 1.212 234 N HN 0.519 nan 8.380 nan 0.000 0.509 235 R N 1.603 122.032 120.500 -0.118 0.000 2.120 235 R HA -0.080 3.595 4.340 -1.107 0.000 0.234 235 R C 1.028 177.294 176.300 -0.056 0.000 1.123 235 R CA 1.012 57.066 56.100 -0.077 0.000 0.975 235 R CB 0.096 30.351 30.300 -0.076 0.000 0.866 235 R HN 0.644 nan 8.270 nan 0.000 0.446 236 E N 0.440 120.611 120.200 -0.049 0.000 2.072 236 E HA -0.203 3.483 4.350 -1.107 0.000 0.191 236 E C 1.874 178.592 176.600 0.196 0.000 0.985 236 E CA 1.062 57.474 56.400 0.020 0.000 0.801 236 E CB -0.041 29.779 29.700 0.200 0.000 0.750 236 E HN 0.412 nan 8.360 nan 0.000 0.452 237 E N 1.028 121.326 120.200 0.162 0.000 2.208 237 E HA -0.178 3.507 4.350 -1.107 0.000 0.193 237 E C 1.594 178.326 176.600 0.220 0.000 0.988 237 E CA 0.707 57.271 56.400 0.272 0.000 0.828 237 E CB 0.162 29.917 29.700 0.093 0.000 0.763 237 E HN 0.228 nan 8.360 nan 0.000 0.478 238 E N 0.159 120.415 120.200 0.092 0.000 2.268 238 E HA -0.194 3.492 4.350 -1.107 0.000 0.195 238 E C 2.050 178.690 176.600 0.067 0.000 0.995 238 E CA 0.691 57.128 56.400 0.063 0.000 0.836 238 E CB 0.064 29.766 29.700 0.003 0.000 0.763 238 E HN 0.395 nan 8.360 nan 0.000 0.491 239 Q N -0.162 119.683 119.800 0.074 0.000 2.030 239 Q HA -0.227 3.448 4.340 -1.107 0.000 0.204 239 Q C 1.984 178.045 176.000 0.101 0.000 0.986 239 Q CA 1.773 57.600 55.803 0.039 0.000 0.843 239 Q CB -0.319 28.403 28.738 -0.027 0.000 0.904 239 Q HN 0.401 nan 8.270 nan 0.000 0.420 240 Y N 1.226 121.585 120.300 0.099 0.000 2.145 240 Y HA -0.232 3.654 4.550 -1.107 0.000 0.286 240 Y C 1.827 177.761 175.900 0.057 0.000 1.145 240 Y CA 1.452 59.619 58.100 0.112 0.000 1.148 240 Y CB -0.173 38.408 38.460 0.202 0.000 0.981 240 Y HN 0.004 nan 8.280 nan 0.000 0.507 241 L N -0.743 120.518 121.223 0.064 0.000 2.046 241 L HA -0.221 3.455 4.340 -1.107 0.000 0.208 241 L C 2.530 179.336 176.870 -0.106 0.000 1.077 241 L CA 1.481 56.285 54.840 -0.060 0.000 0.747 241 L CB -0.757 41.341 42.059 0.065 0.000 0.896 241 L HN 0.165 nan 8.230 nan 0.000 0.432 242 S N 0.150 115.816 115.700 -0.057 0.000 2.382 242 S HA -0.171 3.635 4.470 -1.107 0.000 0.228 242 S C 1.846 176.389 174.600 -0.093 0.000 1.027 242 S CA 1.199 59.362 58.200 -0.063 0.000 0.991 242 S CB -0.317 62.857 63.200 -0.043 0.000 0.823 242 S HN 0.231 nan 8.310 nan 0.000 0.469 243 L N 1.880 123.030 121.223 -0.121 0.000 2.027 243 L HA -0.002 3.674 4.340 -1.107 0.000 0.206 243 L C 2.214 178.979 176.870 -0.175 0.000 1.074 243 L CA 1.500 56.257 54.840 -0.138 0.000 0.745 243 L CB -0.793 41.180 42.059 -0.143 0.000 0.898 243 L HN 0.115 nan 8.230 nan 0.000 0.433 244 V N 0.030 119.780 119.914 -0.273 0.000 2.287 244 V HA -0.342 3.114 4.120 -1.107 0.000 0.248 244 V C 2.363 178.373 176.094 -0.140 0.000 1.053 244 V CA 2.100 64.248 62.300 -0.254 0.000 1.027 244 V CB -0.774 30.829 31.823 -0.366 0.000 0.646 244 V HN 0.598 nan 8.190 nan 0.000 0.447 245 D N -0.189 120.140 120.400 -0.118 0.000 2.117 245 D HA -0.232 3.743 4.640 -1.107 0.000 0.197 245 D C 2.366 178.631 176.300 -0.059 0.000 0.987 245 D CA 1.508 55.465 54.000 -0.072 0.000 0.829 245 D CB -0.208 40.556 40.800 -0.060 0.000 0.961 245 D HN 0.245 nan 8.370 nan 0.000 0.460 246 R N -0.268 120.193 120.500 -0.065 0.000 2.120 246 R HA -0.039 3.637 4.340 -1.107 0.000 0.234 246 R C 2.330 178.603 176.300 -0.045 0.000 1.123 246 R CA 0.894 56.963 56.100 -0.051 0.000 0.975 246 R CB -0.180 30.088 30.300 -0.053 0.000 0.866 246 R HN 0.327 nan 8.270 nan 0.000 0.446 247 I N 0.187 120.723 120.570 -0.057 0.000 2.286 247 I HA -0.256 3.250 4.170 -1.107 0.000 0.245 247 I C 2.054 178.152 176.117 -0.031 0.000 1.104 247 I CA 1.111 62.384 61.300 -0.045 0.000 1.397 247 I CB -0.079 37.885 38.000 -0.061 0.000 1.072 247 I HN 0.185 nan 8.210 nan 0.000 0.417 248 I N 0.315 120.866 120.570 -0.033 0.000 2.286 248 I HA -0.224 3.282 4.170 -1.107 0.000 0.245 248 I C 2.609 178.719 176.117 -0.013 0.000 1.104 248 I CA 1.271 62.561 61.300 -0.018 0.000 1.397 248 I CB -0.298 37.693 38.000 -0.015 0.000 1.072 248 I HN 0.123 nan 8.210 nan 0.000 0.417 249 R N 0.448 120.937 120.500 -0.018 0.000 2.119 249 R HA -0.045 3.631 4.340 -1.107 0.000 0.222 249 R C 1.296 177.590 176.300 -0.010 0.000 1.088 249 R CA 1.056 57.148 56.100 -0.013 0.000 0.984 249 R CB 0.042 30.332 30.300 -0.017 0.000 0.884 249 R HN 0.404 nan 8.270 nan 0.000 0.447 250 E N -0.750 119.442 120.200 -0.013 0.000 2.641 250 E HA 0.133 3.819 4.350 -1.107 0.000 0.224 250 E C 0.366 176.963 176.600 -0.006 0.000 0.951 250 E CA -0.313 56.082 56.400 -0.009 0.000 1.102 250 E CB 1.239 30.933 29.700 -0.011 0.000 1.091 250 E HN 0.212 nan 8.360 nan 0.000 0.507 251 G N 1.344 110.139 108.800 -0.009 0.000 2.664 251 G HA2 0.015 3.311 3.960 -1.107 0.000 0.242 251 G HA3 0.015 3.311 3.960 -1.107 0.000 0.242 251 G C -0.003 174.896 174.900 -0.001 0.000 1.225 251 G CA -0.430 44.667 45.100 -0.005 0.000 0.849 251 G HN 0.025 nan 8.290 nan 0.000 0.581 252 N N -0.413 118.287 118.700 -0.000 0.000 2.455 252 N HA 0.210 4.286 4.740 -1.107 0.000 0.280 252 N C -0.205 175.299 175.510 -0.010 0.000 1.055 252 N CA -0.368 52.681 53.050 -0.001 0.000 0.961 252 N CB 2.143 40.628 38.487 -0.003 0.000 1.121 252 N HN 0.126 nan 8.380 nan 0.000 0.476 253 V N 2.859 122.774 119.914 0.002 0.000 2.583 253 V HA 0.221 3.677 4.120 -1.107 0.000 0.287 253 V C 0.382 176.481 176.094 0.008 0.000 1.051 253 V CA 0.028 62.327 62.300 -0.001 0.000 1.010 253 V CB 0.490 32.343 31.823 0.049 0.000 0.988 253 V HN 0.561 nan 8.190 nan 0.000 0.478 254 K N 3.222 123.587 120.400 -0.058 0.000 2.502 254 K HA 0.652 4.308 4.320 -1.107 0.000 0.257 254 K C -1.666 174.843 176.600 -0.152 0.000 0.938 254 K CA -1.022 55.247 56.287 -0.029 0.000 0.819 254 K CB 2.379 34.842 32.500 -0.062 0.000 1.333 254 K HN 0.717 nan 8.250 nan 0.000 0.434 255 H N 0.671 119.732 119.070 -0.016 0.000 2.689 255 H HA 0.138 4.030 4.556 -1.107 0.000 0.346 255 H C -0.818 174.507 175.328 -0.005 0.000 1.037 255 H CA -0.754 55.291 56.048 -0.004 0.000 1.234 255 H CB 1.337 31.099 29.762 0.001 0.000 1.572 255 H HN 0.677 nan 8.280 nan 0.000 0.524 256 D N 1.173 121.620 120.400 0.077 0.000 2.425 256 D HA 0.019 3.995 4.640 -1.107 0.000 0.274 256 D C 1.563 177.901 176.300 0.063 0.000 1.242 256 D CA -0.746 53.285 54.000 0.052 0.000 1.060 256 D CB 0.926 41.745 40.800 0.032 0.000 1.112 256 D HN 0.427 nan 8.370 nan 0.000 0.561 257 R N -0.838 119.689 120.500 0.046 0.000 2.148 257 R HA -0.069 3.607 4.340 -1.107 0.000 0.227 257 R C 1.337 177.662 176.300 0.041 0.000 1.103 257 R CA 1.326 57.450 56.100 0.039 0.000 0.983 257 R CB -1.989 28.331 30.300 0.033 0.000 0.874 257 R HN 0.488 nan 8.270 nan 0.000 0.451 258 T N -0.148 114.434 114.554 0.046 0.000 3.067 258 T HA 0.197 3.883 4.350 -1.107 0.000 0.261 258 T C 1.153 175.882 174.700 0.050 0.000 1.110 258 T CA 1.260 63.385 62.100 0.041 0.000 1.113 258 T CB -0.021 68.868 68.868 0.036 0.000 0.917 258 T HN 0.624 nan 8.240 nan 0.000 0.499 259 G N 1.017 109.864 108.800 0.077 0.000 2.159 259 G HA2 -0.217 3.079 3.960 -1.107 0.000 0.227 259 G HA3 -0.217 3.079 3.960 -1.107 0.000 0.227 259 G C 0.159 175.154 174.900 0.158 0.000 0.986 259 G CA -0.219 44.955 45.100 0.123 0.000 0.651 259 G HN 0.484 nan 8.290 nan 0.000 0.523 260 V N 1.544 121.508 119.914 0.085 0.000 2.446 260 V HA 0.542 3.998 4.120 -1.107 0.000 0.276 260 V C 1.320 177.391 176.094 -0.038 0.000 1.030 260 V CA 0.604 62.929 62.300 0.043 0.000 1.033 260 V CB 1.038 32.887 31.823 0.042 0.000 0.993 260 V HN 0.700 nan 8.190 nan 0.000 0.477 261 G N 3.824 112.533 108.800 -0.152 0.000 2.389 261 G HA2 0.706 4.002 3.960 -1.107 0.000 0.317 261 G HA3 0.706 4.002 3.960 -1.107 0.000 0.317 261 G C -0.196 174.564 174.900 -0.234 0.000 1.137 261 G CA -0.005 44.771 45.100 -0.539 0.000 0.870 261 G HN 0.843 nan 8.290 nan 0.000 0.496 262 T N -1.542 112.834 114.554 -0.296 0.000 2.868 262 T HA 0.630 4.316 4.350 -1.107 0.000 0.306 262 T C -1.087 173.520 174.700 -0.154 0.000 1.224 262 T CA -0.803 61.161 62.100 -0.226 0.000 1.012 262 T CB 1.578 70.227 68.868 -0.365 0.000 1.221 262 T HN 0.300 nan 8.240 nan 0.000 0.499 263 L N 2.252 123.419 121.223 -0.092 0.000 2.346 263 L HA 0.842 4.517 4.340 -1.107 0.000 0.276 263 L C 0.191 177.049 176.870 -0.020 0.000 1.006 263 L CA -0.316 54.496 54.840 -0.046 0.000 0.817 263 L CB 2.122 44.166 42.059 -0.026 0.000 1.272 263 L HN 1.116 nan 8.230 nan 0.000 0.421 264 S N 1.956 117.652 115.700 -0.006 0.000 2.579 264 S HA 0.939 4.744 4.470 -1.107 0.000 0.272 264 S C -0.848 173.772 174.600 0.033 0.000 1.141 264 S CA -0.823 57.394 58.200 0.027 0.000 0.843 264 S CB 1.975 65.205 63.200 0.050 0.000 1.122 264 S HN 0.498 nan 8.310 nan 0.000 0.468 265 I N -1.741 118.860 120.570 0.052 0.000 3.042 265 I HA 0.908 4.414 4.170 -1.107 0.000 0.310 265 I C -1.425 174.786 176.117 0.157 0.000 1.117 265 I CA -1.181 60.160 61.300 0.069 0.000 1.003 265 I CB 1.542 39.551 38.000 0.015 0.000 1.228 265 I HN 0.671 nan 8.210 nan 0.000 0.443 266 F N 2.876 122.807 119.950 -0.031 0.000 2.493 266 F HA 0.793 5.324 4.527 0.006 0.000 0.329 266 F C 0.352 176.131 175.800 -0.035 0.000 1.126 266 F CA -0.336 57.647 58.000 -0.028 0.000 0.937 266 F CB 1.347 40.338 39.000 -0.014 0.000 1.146 266 F HN 1.085 nan 8.300 nan 0.000 0.442 267 G N 4.215 112.641 108.800 -0.623 0.000 3.292 267 G HA2 0.488 3.783 3.960 -1.107 0.000 0.636 267 G HA3 0.488 3.784 3.960 -1.107 0.000 0.636 267 G C -1.156 173.571 174.900 -0.289 0.000 1.069 267 G CA -0.250 44.508 45.100 -0.570 0.000 0.890 267 G HN 1.612 nan 8.290 nan 0.000 0.427 268 A N 2.256 124.920 122.820 -0.260 0.000 2.583 268 A HA 1.012 4.668 4.320 -1.107 0.000 0.289 268 A C -0.385 177.087 177.584 -0.187 0.000 1.151 268 A CA 0.083 52.005 52.037 -0.191 0.000 0.695 268 A CB 2.075 20.972 19.000 -0.171 0.000 1.290 268 A HN 1.586 nan 8.150 nan 0.000 0.419 269 Q N -0.034 119.678 119.800 -0.148 0.000 2.352 269 Q HA 0.697 4.372 4.340 -1.107 0.000 0.270 269 Q C -1.881 174.054 176.000 -0.108 0.000 1.006 269 Q CA -0.341 55.388 55.803 -0.124 0.000 0.880 269 Q CB 1.836 30.513 28.738 -0.102 0.000 1.392 269 Q HN 0.816 nan 8.270 nan 0.000 0.401 270 M N 1.968 121.520 119.600 -0.080 0.000 2.619 270 M HA 0.630 4.446 4.480 -1.107 0.000 0.297 270 M C -1.027 175.138 176.300 -0.224 0.000 1.229 270 M CA -0.754 54.451 55.300 -0.158 0.000 0.860 270 M CB 2.818 35.377 32.600 -0.069 0.000 1.741 270 M HN 0.431 nan 8.290 nan 0.000 0.462 271 R N 0.934 121.134 120.500 -0.500 0.000 2.686 271 R HA 0.776 4.452 4.340 -1.107 0.000 0.286 271 R C -1.879 173.970 176.300 -0.751 0.000 0.969 271 R CA -0.515 55.347 56.100 -0.397 0.000 0.898 271 R CB 2.103 32.275 30.300 -0.212 0.000 1.183 271 R HN 0.489 nan 8.270 nan 0.000 0.456 272 F N -0.128 119.855 119.950 0.054 0.000 2.557 272 F HA 0.261 4.122 4.527 -1.110 0.000 0.316 272 F C 0.385 176.209 175.800 0.040 0.000 1.141 272 F CA -0.747 57.291 58.000 0.063 0.000 0.922 272 F CB 2.242 41.258 39.000 0.027 0.000 1.194 272 F HN 0.309 nan 8.300 nan 0.000 0.443 273 S N 2.889 118.708 115.700 0.198 0.000 2.565 273 S HA 0.527 4.333 4.470 -1.107 0.000 0.276 273 S C 0.285 174.945 174.600 0.100 0.000 1.326 273 S CA -0.351 57.923 58.200 0.122 0.000 1.045 273 S CB 0.470 63.724 63.200 0.090 0.000 0.918 273 S HN 0.709 nan 8.310 nan 0.000 0.505 274 L N 3.928 125.196 121.223 0.076 0.000 3.016 274 L HA 0.323 3.999 4.340 -1.107 0.000 0.267 274 L C 0.749 177.652 176.870 0.054 0.000 1.182 274 L CA -0.287 54.581 54.840 0.047 0.000 0.997 274 L CB 0.069 42.165 42.059 0.061 0.000 1.354 274 L HN 0.496 nan 8.230 nan 0.000 0.569 275 R N 1.590 122.126 120.500 0.061 0.000 2.590 275 R HA 0.094 3.770 4.340 -1.107 0.000 0.274 275 R C 0.088 176.439 176.300 0.085 0.000 1.061 275 R CA -0.235 55.903 56.100 0.064 0.000 1.081 275 R CB 0.085 30.416 30.300 0.050 0.000 0.984 275 R HN 0.183 nan 8.270 nan 0.000 0.448 276 N N 2.261 121.016 118.700 0.093 0.000 2.725 276 N HA -0.232 3.844 4.740 -1.107 0.000 0.251 276 N C -0.764 174.862 175.510 0.194 0.000 1.031 276 N CA 1.307 54.434 53.050 0.128 0.000 0.720 276 N CB -1.175 37.393 38.487 0.136 0.000 0.930 276 N HN 0.855 nan 8.380 nan 0.000 0.543 277 N N -2.234 116.559 118.700 0.155 0.000 2.909 277 N HA -0.218 3.858 4.740 -1.107 0.000 0.242 277 N C -0.519 175.067 175.510 0.127 0.000 0.975 277 N CA 1.226 54.382 53.050 0.176 0.000 0.921 277 N CB -0.590 38.038 38.487 0.235 0.000 1.112 277 N HN 0.509 nan 8.380 nan 0.000 0.581 278 R N 0.493 121.010 120.500 0.028 0.000 2.489 278 R HA 0.282 3.958 4.340 -1.107 0.000 0.287 278 R C -0.348 175.815 176.300 -0.229 0.000 1.053 278 R CA -0.206 55.759 56.100 -0.225 0.000 1.036 278 R CB 0.550 30.767 30.300 -0.137 0.000 0.966 278 R HN 0.108 nan 8.270 nan 0.000 0.432 279 L N 6.045 127.042 121.223 -0.378 0.000 2.343 279 L HA 0.341 4.017 4.340 -1.107 0.000 0.278 279 L C -2.186 174.273 176.870 -0.684 0.000 0.996 279 L CA -2.141 52.431 54.840 -0.446 0.000 0.831 279 L CB 1.833 43.577 42.059 -0.526 0.000 1.232 279 L HN 0.425 nan 8.230 nan 0.000 0.413 280 P HA 0.075 nan 4.420 nan 0.000 0.231 280 P C -0.654 175.936 177.300 -1.184 0.000 1.756 280 P CA 0.115 62.311 63.100 -1.507 0.000 0.990 280 P CB -0.205 30.902 31.700 -0.989 0.000 1.973 281 L N 2.596 123.262 121.223 -0.927 0.000 2.260 281 L HA 0.274 3.950 4.340 -1.107 0.000 0.289 281 L C 1.053 177.851 176.870 -0.120 0.000 1.057 281 L CA -0.964 53.569 54.840 -0.511 0.000 0.811 281 L CB 0.904 42.530 42.059 -0.721 0.000 1.184 281 L HN 0.059 nan 8.230 nan 0.000 0.429 282 L N 3.094 124.322 121.223 0.008 0.000 2.525 282 L HA -0.015 3.661 4.340 -1.107 0.000 0.278 282 L C 1.569 178.664 176.870 0.375 0.000 1.218 282 L CA 0.153 55.142 54.840 0.249 0.000 0.878 282 L CB 0.661 42.713 42.059 -0.011 0.000 1.127 282 L HN 0.736 nan 8.230 nan 0.000 0.492 283 T N -3.905 110.881 114.554 0.386 0.000 3.051 283 T HA -0.082 3.603 4.350 -1.107 0.000 0.255 283 T C 1.534 176.431 174.700 0.329 0.000 1.085 283 T CA 0.582 62.881 62.100 0.332 0.000 1.109 283 T CB -0.192 68.849 68.868 0.288 0.000 0.921 283 T HN 0.752 nan 8.240 nan 0.000 0.488 284 T N -1.014 113.685 114.554 0.242 0.000 3.163 284 T HA 0.204 3.890 4.350 -1.107 0.000 0.260 284 T C 0.561 175.330 174.700 0.116 0.000 1.156 284 T CA 0.130 62.301 62.100 0.118 0.000 1.072 284 T CB -0.156 68.711 68.868 -0.001 0.000 0.937 284 T HN 0.204 nan 8.240 nan 0.000 0.528 285 K N 1.329 121.819 120.400 0.151 0.000 2.606 285 K HA 0.234 3.890 4.320 -1.107 0.000 0.259 285 K C -1.092 175.601 176.600 0.154 0.000 1.001 285 K CA -0.430 55.933 56.287 0.126 0.000 0.881 285 K CB 2.163 34.727 32.500 0.106 0.000 1.288 285 K HN 0.312 nan 8.250 nan 0.000 0.452 286 R N 2.738 123.320 120.500 0.137 0.000 2.537 286 R HA 0.120 3.796 4.340 -1.107 0.000 0.281 286 R C -0.593 175.862 176.300 0.258 0.000 0.988 286 R CA 0.071 56.287 56.100 0.195 0.000 1.077 286 R CB 0.422 30.789 30.300 0.113 0.000 0.932 286 R HN 0.217 nan 8.270 nan 0.000 0.409 287 V N 6.464 126.594 119.914 0.361 0.000 2.532 287 V HA 0.150 3.606 4.120 -1.107 0.000 0.295 287 V C 0.187 176.505 176.094 0.374 0.000 1.041 287 V CA -0.525 61.949 62.300 0.289 0.000 0.926 287 V CB 1.469 33.385 31.823 0.155 0.000 0.992 287 V HN 0.739 nan 8.190 nan 0.000 0.457 288 F N 4.730 124.789 119.950 0.182 0.000 2.678 288 F HA 0.044 3.906 4.527 -1.108 0.000 0.358 288 F C 1.236 177.068 175.800 0.052 0.000 1.256 288 F CA -0.229 57.868 58.000 0.162 0.000 1.278 288 F CB -0.147 38.987 39.000 0.223 0.000 1.681 288 F HN 0.838 nan 8.300 nan 0.000 0.661 289 W N 4.719 125.993 121.300 -0.044 0.000 2.338 289 W HA -0.245 3.751 4.660 -1.108 0.000 0.304 289 W C 1.863 178.139 176.519 -0.405 0.000 1.212 289 W CA 1.486 58.661 57.345 -0.284 0.000 1.264 289 W CB -0.254 29.075 29.460 -0.219 0.000 1.142 289 W HN 0.477 nan 8.180 nan 0.000 0.512 290 R N 0.393 120.591 120.500 -0.503 0.000 2.120 290 R HA -0.106 3.569 4.340 -1.107 0.000 0.234 290 R C 2.517 178.245 176.300 -0.953 0.000 1.123 290 R CA 1.848 57.575 56.100 -0.622 0.000 0.975 290 R CB -0.862 29.327 30.300 -0.185 0.000 0.866 290 R HN 0.228 nan 8.270 nan 0.000 0.446 291 G N -0.352 107.465 108.800 -1.637 0.000 2.394 291 G HA2 -0.151 3.145 3.960 -1.107 0.000 0.215 291 G HA3 -0.151 3.145 3.960 -1.107 0.000 0.215 291 G C 1.367 175.876 174.900 -0.652 0.000 1.165 291 G CA 0.496 44.856 45.100 -1.232 0.000 0.784 291 G HN 0.180 nan 8.290 nan 0.000 0.535 292 V N 0.338 119.664 119.914 -0.980 0.000 2.255 292 V HA -0.241 3.214 4.120 -1.107 0.000 0.247 292 V C 2.958 178.525 176.094 -0.879 0.000 1.051 292 V CA 1.912 63.500 62.300 -1.185 0.000 1.018 292 V CB -0.662 30.360 31.823 -1.335 0.000 0.641 292 V HN 0.560 nan 8.190 nan 0.000 0.445 293 C N -0.017 118.587 119.300 -1.160 0.000 2.432 293 C HA -0.125 3.671 4.460 -1.107 0.000 0.277 293 C C 2.818 177.512 174.990 -0.494 0.000 1.249 293 C CA 1.135 59.598 59.018 -0.926 0.000 1.725 293 C CB -1.029 26.016 27.740 -1.159 0.000 2.028 293 C HN 0.604 nan 8.230 nan 0.000 0.477 294 E N 0.381 120.304 120.200 -0.463 0.000 2.077 294 E HA -0.221 3.465 4.350 -1.107 0.000 0.193 294 E C 2.105 178.553 176.600 -0.253 0.000 0.989 294 E CA 1.407 57.631 56.400 -0.294 0.000 0.800 294 E CB -0.621 28.899 29.700 -0.300 0.000 0.746 294 E HN 0.792 nan 8.360 nan 0.000 0.452 295 E N 0.683 120.684 120.200 -0.331 0.000 2.072 295 E HA -0.147 3.539 4.350 -1.107 0.000 0.191 295 E C 2.208 178.543 176.600 -0.440 0.000 0.985 295 E CA 0.370 56.534 56.400 -0.394 0.000 0.801 295 E CB 0.004 29.494 29.700 -0.350 0.000 0.750 295 E HN 0.101 nan 8.360 nan 0.000 0.452 296 L N 0.928 121.983 121.223 -0.279 0.000 2.042 296 L HA -0.179 3.497 4.340 -1.107 0.000 0.210 296 L C 2.263 179.176 176.870 0.071 0.000 1.076 296 L CA 1.337 56.160 54.840 -0.029 0.000 0.749 296 L CB -0.678 41.345 42.059 -0.060 0.000 0.893 296 L HN 0.285 nan 8.230 nan 0.000 0.432 297 L N -1.201 120.027 121.223 0.009 0.000 2.083 297 L HA -0.218 3.458 4.340 -1.107 0.000 0.209 297 L C 2.262 179.210 176.870 0.129 0.000 1.083 297 L CA 1.733 56.623 54.840 0.084 0.000 0.752 297 L CB -1.328 40.767 42.059 0.060 0.000 0.899 297 L HN 0.473 nan 8.230 nan 0.000 0.433 298 W N -0.665 120.547 121.300 -0.147 0.000 2.358 298 W HA -0.245 3.749 4.660 -1.109 0.000 0.303 298 W C 2.308 178.780 176.519 -0.079 0.000 1.208 298 W CA 1.261 58.513 57.345 -0.155 0.000 1.274 298 W CB -0.305 28.982 29.460 -0.289 0.000 1.138 298 W HN 0.072 nan 8.180 nan 0.000 0.515 299 F N 0.480 120.445 119.950 0.025 0.000 2.075 299 F HA -0.201 3.663 4.527 -1.105 0.000 0.297 299 F C 2.369 178.037 175.800 -0.221 0.000 1.113 299 F CA 1.558 59.360 58.000 -0.331 0.000 1.218 299 F CB -1.545 37.171 39.000 -0.473 0.000 0.984 299 F HN -0.181 nan 8.300 nan 0.000 0.472 300 L N -0.523 120.853 121.223 0.255 0.000 2.079 300 L HA -0.231 3.445 4.340 -1.107 0.000 0.210 300 L C 2.396 179.328 176.870 0.103 0.000 1.081 300 L CA 1.353 56.337 54.840 0.241 0.000 0.752 300 L CB -0.552 41.636 42.059 0.215 0.000 0.896 300 L HN 0.067 nan 8.230 nan 0.000 0.433 301 R N -0.057 120.472 120.500 0.048 0.000 2.316 301 R HA 0.011 3.686 4.340 -1.107 0.000 0.202 301 R C 1.123 177.397 176.300 -0.043 0.000 1.029 301 R CA 0.576 56.684 56.100 0.013 0.000 1.018 301 R CB -0.109 30.203 30.300 0.021 0.000 0.888 301 R HN 0.491 nan 8.270 nan 0.000 0.471 302 G N 1.819 110.556 108.800 -0.104 0.000 2.198 302 G HA2 -0.240 3.056 3.960 -1.107 0.000 0.257 302 G HA3 -0.240 3.056 3.960 -1.107 0.000 0.257 302 G C -0.294 174.501 174.900 -0.175 0.000 1.042 302 G CA -0.076 44.945 45.100 -0.132 0.000 0.791 302 G HN 0.264 nan 8.290 nan 0.000 0.502 303 E N -0.400 119.517 120.200 -0.472 0.000 2.374 303 E HA 0.480 4.165 4.350 -1.107 0.000 0.260 303 E C 1.363 177.470 176.600 -0.823 0.000 1.101 303 E CA 0.574 56.584 56.400 -0.650 0.000 0.907 303 E CB 1.001 30.020 29.700 -1.135 0.000 1.014 303 E HN 0.637 nan 8.360 nan 0.000 0.427 304 T N -2.812 111.529 114.554 -0.355 0.000 3.080 304 T HA 0.022 3.708 4.350 -1.107 0.000 0.280 304 T C -0.084 174.704 174.700 0.147 0.000 0.926 304 T CA -0.334 61.644 62.100 -0.203 0.000 0.883 304 T CB -0.159 68.648 68.868 -0.101 0.000 1.194 304 T HN 0.323 nan 8.240 nan 0.000 0.541 305 Y N 2.896 123.253 120.300 0.095 0.000 2.518 305 Y HA 0.745 4.631 4.550 -1.107 0.000 0.344 305 Y C 1.358 177.390 175.900 0.220 0.000 0.982 305 Y CA -1.975 56.126 58.100 0.002 0.000 1.234 305 Y CB 0.682 38.977 38.460 -0.276 0.000 1.114 305 Y HN 0.226 nan 8.280 nan 0.000 0.515 306 A N 5.130 127.942 122.820 -0.014 0.000 2.019 306 A HA -0.181 3.475 4.320 -1.107 0.000 0.219 306 A C 2.310 179.608 177.584 -0.477 0.000 1.164 306 A CA 1.612 53.447 52.037 -0.337 0.000 0.644 306 A CB -0.410 18.448 19.000 -0.237 0.000 0.805 306 A HN 0.810 nan 8.150 nan 0.000 0.449 307 K N 0.222 120.165 120.400 -0.762 0.000 2.160 307 K HA -0.208 3.448 4.320 -1.107 0.000 0.206 307 K C 1.799 178.136 176.600 -0.438 0.000 1.047 307 K CA 1.756 57.630 56.287 -0.690 0.000 0.930 307 K CB -0.161 31.679 32.500 -1.100 0.000 0.720 307 K HN 0.505 nan 8.250 nan 0.000 0.450 308 K N 0.262 120.448 120.400 -0.357 0.000 2.147 308 K HA -0.129 3.527 4.320 -1.107 0.000 0.205 308 K C 2.022 178.478 176.600 -0.240 0.000 1.049 308 K CA 1.171 57.373 56.287 -0.142 0.000 0.936 308 K CB -0.028 32.535 32.500 0.104 0.000 0.722 308 K HN 0.226 nan 8.250 nan 0.000 0.446 309 L N 0.505 121.470 121.223 -0.429 0.000 2.102 309 L HA -0.119 3.557 4.340 -1.107 0.000 0.202 309 L C 2.640 179.282 176.870 -0.379 0.000 1.076 309 L CA 1.119 55.677 54.840 -0.469 0.000 0.761 309 L CB -0.603 41.049 42.059 -0.678 0.000 0.921 309 L HN 0.211 nan 8.230 nan 0.000 0.444 310 S N -0.935 114.546 115.700 -0.364 0.000 2.399 310 S HA -0.194 3.612 4.470 -1.107 0.000 0.231 310 S C 1.455 175.910 174.600 -0.243 0.000 1.022 310 S CA 1.299 59.268 58.200 -0.385 0.000 0.983 310 S CB -0.471 62.649 63.200 -0.133 0.000 0.803 310 S HN 0.351 nan 8.310 nan 0.000 0.480 311 D N 1.683 121.980 120.400 -0.171 0.000 2.310 311 D HA 0.035 4.011 4.640 -1.107 0.000 0.212 311 D C 1.377 177.628 176.300 -0.083 0.000 0.965 311 D CA 0.830 54.777 54.000 -0.088 0.000 0.879 311 D CB -0.088 40.672 40.800 -0.068 0.000 0.921 311 D HN 0.559 nan 8.370 nan 0.000 0.510 312 K N -0.545 119.773 120.400 -0.137 0.000 2.372 312 K HA 0.240 3.896 4.320 -1.107 0.000 0.200 312 K C 0.887 177.423 176.600 -0.106 0.000 1.022 312 K CA 0.231 56.456 56.287 -0.104 0.000 1.125 312 K CB 1.281 33.709 32.500 -0.119 0.000 0.855 312 K HN 0.042 nan 8.250 nan 0.000 0.524 313 G N 1.380 110.074 108.800 -0.177 0.000 2.136 313 G HA2 -0.221 3.075 3.960 -1.107 0.000 0.242 313 G HA3 -0.221 3.075 3.960 -1.107 0.000 0.242 313 G C 0.003 174.741 174.900 -0.270 0.000 0.989 313 G CA -0.062 44.947 45.100 -0.152 0.000 0.682 313 G HN 0.132 nan 8.290 nan 0.000 0.522 314 V N 2.148 121.817 119.914 -0.407 0.000 2.311 314 V HA 0.403 3.859 4.120 -1.107 0.000 0.275 314 V C 0.664 176.502 176.094 -0.426 0.000 1.022 314 V CA -0.743 61.423 62.300 -0.223 0.000 0.830 314 V CB 1.042 32.732 31.823 -0.221 0.000 1.012 314 V HN 0.382 nan 8.190 nan 0.000 0.452 315 H N 5.277 124.367 119.070 0.032 0.000 2.487 315 H HA 0.212 4.104 4.556 -1.107 0.000 0.290 315 H C 1.755 177.055 175.328 -0.047 0.000 1.081 315 H CA 0.098 56.134 56.048 -0.020 0.000 1.116 315 H CB 0.525 30.271 29.762 -0.027 0.000 1.560 315 H HN 0.788 nan 8.280 nan 0.000 0.548 316 I N -3.270 117.288 120.570 -0.021 0.000 2.700 316 I HA -0.119 3.387 4.170 -1.107 0.000 0.261 316 I C 1.083 177.025 176.117 -0.293 0.000 1.219 316 I CA 1.207 62.398 61.300 -0.182 0.000 1.463 316 I CB -0.189 37.623 38.000 -0.314 0.000 1.092 316 I HN 0.022 nan 8.210 nan 0.000 0.452 317 W N 1.340 122.546 121.300 -0.158 0.000 3.127 317 W HA 0.205 4.201 4.660 -1.107 0.000 0.344 317 W C 1.545 178.011 176.519 -0.088 0.000 1.151 317 W CA -0.401 56.866 57.345 -0.130 0.000 1.765 317 W CB 0.115 29.467 29.460 -0.181 0.000 1.085 317 W HN 0.025 nan 8.180 nan 0.000 0.596 318 D N 0.672 121.136 120.400 0.107 0.000 2.116 318 D HA -0.218 3.758 4.640 -1.107 0.000 0.193 318 D C 1.576 177.902 176.300 0.043 0.000 0.998 318 D CA 1.733 55.783 54.000 0.083 0.000 0.836 318 D CB -0.290 40.555 40.800 0.075 0.000 0.951 318 D HN 0.120 nan 8.370 nan 0.000 0.449 319 D N -0.013 120.366 120.400 -0.035 0.000 2.144 319 D HA -0.068 3.907 4.640 -1.107 0.000 0.200 319 D C 1.081 177.252 176.300 -0.215 0.000 0.978 319 D CA 0.688 54.625 54.000 -0.105 0.000 0.833 319 D CB -0.388 40.310 40.800 -0.171 0.000 0.961 319 D HN 0.357 nan 8.370 nan 0.000 0.470 320 N N -0.485 118.079 118.700 -0.227 0.000 2.383 320 N HA 0.088 4.164 4.740 -1.107 0.000 0.192 320 N C 1.265 176.936 175.510 0.268 0.000 1.141 320 N CA -0.060 52.787 53.050 -0.338 0.000 0.851 320 N CB 0.718 39.107 38.487 -0.163 0.000 0.976 320 N HN 0.049 nan 8.380 nan 0.000 0.465 321 G N 0.083 109.037 108.800 0.257 0.000 3.274 321 G HA2 -0.015 3.280 3.960 -1.107 0.000 0.250 321 G HA3 -0.015 3.280 3.960 -1.107 0.000 0.250 321 G C 0.279 175.330 174.900 0.252 0.000 1.024 321 G CA -0.255 45.022 45.100 0.294 0.000 0.840 321 G HN 0.226 nan 8.290 nan 0.000 0.522 322 S N 0.019 115.860 115.700 0.237 0.000 2.585 322 S HA 0.264 4.070 4.470 -1.107 0.000 0.273 322 S C 1.507 176.236 174.600 0.215 0.000 1.339 322 S CA -0.199 58.117 58.200 0.194 0.000 1.028 322 S CB 2.126 65.420 63.200 0.157 0.000 0.906 322 S HN 0.192 nan 8.310 nan 0.000 0.528 323 R N 2.449 123.044 120.500 0.160 0.000 2.113 323 R HA -0.158 3.517 4.340 -1.107 0.000 0.244 323 R C 2.317 178.689 176.300 0.121 0.000 1.142 323 R CA 2.385 58.566 56.100 0.136 0.000 0.953 323 R CB -1.446 28.916 30.300 0.103 0.000 0.860 323 R HN 0.884 nan 8.270 nan 0.000 0.438 324 A N -0.508 122.386 122.820 0.123 0.000 1.877 324 A HA -0.155 3.501 4.320 -1.107 0.000 0.216 324 A C 2.217 179.877 177.584 0.127 0.000 1.186 324 A CA 1.551 53.653 52.037 0.108 0.000 0.620 324 A CB -0.910 18.154 19.000 0.107 0.000 0.822 324 A HN 0.517 nan 8.150 nan 0.000 0.443 325 F N -0.136 119.851 119.950 0.063 0.000 2.186 325 F HA -0.062 3.799 4.527 -1.110 0.000 0.299 325 F C 1.778 177.624 175.800 0.076 0.000 1.090 325 F CA 1.159 59.200 58.000 0.069 0.000 1.307 325 F CB -0.214 38.838 39.000 0.085 0.000 1.019 325 F HN 0.130 nan 8.300 nan 0.000 0.489 326 L N 0.567 121.837 121.223 0.079 0.000 2.046 326 L HA -0.221 3.455 4.340 -1.107 0.000 0.208 326 L C 1.971 178.778 176.870 -0.104 0.000 1.077 326 L CA 1.805 56.653 54.840 0.013 0.000 0.747 326 L CB -1.217 40.945 42.059 0.172 0.000 0.896 326 L HN 0.065 nan 8.230 nan 0.000 0.432 327 D N -1.424 118.941 120.400 -0.057 0.000 2.178 327 D HA -0.125 3.851 4.640 -1.107 0.000 0.202 327 D C 2.348 178.576 176.300 -0.120 0.000 0.974 327 D CA 1.315 55.273 54.000 -0.069 0.000 0.841 327 D CB -0.118 40.670 40.800 -0.020 0.000 0.953 327 D HN 0.403 nan 8.370 nan 0.000 0.478 328 S N -0.317 115.281 115.700 -0.170 0.000 2.474 328 S HA -0.044 3.762 4.470 -1.107 0.000 0.235 328 S C 1.659 176.110 174.600 -0.248 0.000 0.997 328 S CA 0.454 58.540 58.200 -0.190 0.000 0.949 328 S CB 0.077 63.161 63.200 -0.193 0.000 0.766 328 S HN 0.026 nan 8.310 nan 0.000 0.517 329 R N 0.640 120.949 120.500 -0.318 0.000 2.362 329 R HA 0.305 3.981 4.340 -1.107 0.000 0.227 329 R C 1.475 177.660 176.300 -0.192 0.000 0.905 329 R CA 0.459 56.396 56.100 -0.272 0.000 1.067 329 R CB -0.531 29.571 30.300 -0.331 0.000 1.078 329 R HN 0.611 nan 8.270 nan 0.000 0.516 330 G N 1.395 110.093 108.800 -0.169 0.000 2.160 330 G HA2 -0.247 3.049 3.960 -1.107 0.000 0.251 330 G HA3 -0.247 3.049 3.960 -1.107 0.000 0.251 330 G C 0.284 175.065 174.900 -0.199 0.000 1.008 330 G CA 0.084 45.095 45.100 -0.149 0.000 0.724 330 G HN 0.327 nan 8.290 nan 0.000 0.514 331 L N 1.754 122.837 121.223 -0.233 0.000 3.035 331 L HA 0.211 3.886 4.340 -1.107 0.000 0.232 331 L C 2.314 179.037 176.870 -0.245 0.000 1.341 331 L CA 0.402 55.007 54.840 -0.391 0.000 1.177 331 L CB -0.268 41.549 42.059 -0.403 0.000 1.555 331 L HN 0.394 nan 8.230 nan 0.000 0.473 332 T N -4.424 110.039 114.554 -0.151 0.000 2.929 332 T HA -0.176 3.510 4.350 -1.107 0.000 0.271 332 T C 1.451 176.150 174.700 -0.001 0.000 1.085 332 T CA 1.027 63.095 62.100 -0.053 0.000 1.125 332 T CB 0.057 68.900 68.868 -0.043 0.000 0.874 332 T HN 0.207 nan 8.240 nan 0.000 0.494 333 E N -0.215 119.963 120.200 -0.037 0.000 2.435 333 E HA 0.179 3.865 4.350 -1.107 0.000 0.195 333 E C -0.415 176.384 176.600 0.332 0.000 1.029 333 E CA -0.014 56.446 56.400 0.101 0.000 0.865 333 E CB -0.065 29.672 29.700 0.061 0.000 0.833 333 E HN 0.567 nan 8.360 nan 0.000 0.510 334 Y N 1.368 121.764 120.300 0.160 0.000 2.309 334 Y HA 0.185 4.070 4.550 -1.108 0.000 0.327 334 Y C 0.891 176.914 175.900 0.204 0.000 1.172 334 Y CA -1.346 56.889 58.100 0.225 0.000 1.280 334 Y CB 0.134 38.706 38.460 0.188 0.000 1.234 334 Y HN -0.064 nan 8.280 nan 0.000 0.512 335 E N 1.715 122.150 120.200 0.391 0.000 2.398 335 E HA -0.003 3.683 4.350 -1.107 0.000 0.263 335 E C -0.377 176.402 176.600 0.298 0.000 1.046 335 E CA -0.355 56.207 56.400 0.270 0.000 0.908 335 E CB 0.583 30.426 29.700 0.237 0.000 0.963 335 E HN 0.665 nan 8.360 nan 0.000 0.431 336 E N 3.056 123.404 120.200 0.247 0.000 2.442 336 E HA -0.126 3.559 4.350 -1.107 0.000 0.262 336 E C 0.095 176.851 176.600 0.260 0.000 1.004 336 E CA 0.121 56.658 56.400 0.229 0.000 0.928 336 E CB 0.293 30.095 29.700 0.170 0.000 0.937 336 E HN 0.542 nan 8.360 nan 0.000 0.446 337 M N 1.107 120.837 119.600 0.216 0.000 2.961 337 M HA -0.220 3.596 4.480 -1.107 0.000 0.198 337 M C -0.499 175.936 176.300 0.225 0.000 0.610 337 M CA 0.808 56.193 55.300 0.142 0.000 0.755 337 M CB -2.079 30.484 32.600 -0.062 0.000 2.707 337 M HN 0.567 nan 8.290 nan 0.000 0.299 338 D N 1.587 122.164 120.400 0.294 0.000 2.380 338 D HA 0.476 4.452 4.640 -1.107 0.000 0.230 338 D C 0.948 177.291 176.300 0.071 0.000 1.154 338 D CA -0.167 53.961 54.000 0.214 0.000 0.859 338 D CB 0.446 41.387 40.800 0.235 0.000 1.045 338 D HN 0.435 nan 8.370 nan 0.000 0.495 339 L N 3.033 124.262 121.223 0.009 0.000 2.552 339 L HA 0.239 3.915 4.340 -1.107 0.000 0.227 339 L C 1.568 178.326 176.870 -0.187 0.000 1.146 339 L CA 0.329 55.165 54.840 -0.008 0.000 0.858 339 L CB -0.757 41.256 42.059 -0.076 0.000 0.969 339 L HN 0.642 nan 8.230 nan 0.000 0.451 340 G N 0.764 109.202 108.800 -0.604 0.000 2.698 340 G HA2 -0.188 3.108 3.960 -1.107 0.000 0.225 340 G HA3 -0.188 3.108 3.960 -1.107 0.000 0.225 340 G C -2.477 171.608 174.900 -1.358 0.000 1.345 340 G CA -0.402 44.046 45.100 -1.086 0.000 0.871 340 G HN 0.032 nan 8.290 nan 0.000 0.540 341 P HA 0.286 nan 4.420 nan 0.000 0.246 341 P C 0.866 177.849 177.300 -0.528 0.000 1.675 341 P CA 0.696 63.019 63.100 -1.295 0.000 0.908 341 P CB -0.653 30.324 31.700 -1.204 0.000 1.890 342 V N -2.750 116.921 119.914 -0.406 0.000 3.214 342 V HA 0.150 3.606 4.120 -1.107 0.000 0.306 342 V C 1.364 177.368 176.094 -0.149 0.000 1.078 342 V CA -0.575 61.586 62.300 -0.233 0.000 1.077 342 V CB -0.628 31.126 31.823 -0.114 0.000 1.121 342 V HN 0.200 nan 8.190 nan 0.000 0.468 343 Y N 2.089 122.281 120.300 -0.181 0.000 1.384 343 Y HA -0.437 3.448 4.550 -1.108 0.000 0.095 343 Y C 2.507 177.925 175.900 -0.803 0.000 0.643 343 Y CA 2.825 60.633 58.100 -0.486 0.000 0.404 343 Y CB -1.892 36.113 38.460 -0.758 0.000 0.530 343 Y HN 0.829 nan 8.280 nan 0.000 0.792 344 G N -1.310 107.043 108.800 -0.745 0.000 2.507 344 G HA2 -0.327 2.969 3.960 -1.107 0.000 0.221 344 G HA3 -0.327 2.969 3.960 -1.107 0.000 0.221 344 G C 1.334 176.121 174.900 -0.188 0.000 1.119 344 G CA 1.144 45.870 45.100 -0.623 0.000 0.751 344 G HN 0.488 nan 8.290 nan 0.000 0.574 345 F N 1.086 120.887 119.950 -0.248 0.000 2.102 345 F HA -0.093 3.769 4.527 -1.108 0.000 0.298 345 F C 2.863 178.658 175.800 -0.008 0.000 1.105 345 F CA 1.889 59.822 58.000 -0.111 0.000 1.239 345 F CB 0.046 38.902 39.000 -0.239 0.000 0.991 345 F HN 0.087 nan 8.300 nan 0.000 0.474 346 Q N -0.657 119.266 119.800 0.205 0.000 2.167 346 Q HA -0.181 3.495 4.340 -1.107 0.000 0.202 346 Q C 2.051 178.321 176.000 0.449 0.000 0.970 346 Q CA 1.283 57.257 55.803 0.285 0.000 0.855 346 Q CB -0.849 28.078 28.738 0.314 0.000 0.911 346 Q HN 0.534 nan 8.270 nan 0.000 0.438 347 W N 1.249 122.630 121.300 0.134 0.000 2.358 347 W HA -0.083 3.910 4.660 -1.111 0.000 0.303 347 W C 1.931 178.397 176.519 -0.088 0.000 1.208 347 W CA 0.716 58.107 57.345 0.077 0.000 1.274 347 W CB -0.272 29.183 29.460 -0.008 0.000 1.138 347 W HN 0.134 nan 8.180 nan 0.000 0.515 348 R N -1.366 119.120 120.500 -0.023 0.000 2.308 348 R HA 0.083 3.758 4.340 -1.107 0.000 0.202 348 R C 0.046 175.914 176.300 -0.719 0.000 0.898 348 R CA 0.644 56.513 56.100 -0.385 0.000 1.046 348 R CB -0.464 29.502 30.300 -0.557 0.000 1.026 348 R HN 0.276 nan 8.270 nan 0.000 0.512 349 H N -0.782 118.145 119.070 -0.238 0.000 2.901 349 H HA 0.136 4.028 4.556 -1.107 0.000 0.227 349 H C -0.809 174.405 175.328 -0.190 0.000 1.390 349 H CA -0.991 54.842 56.048 -0.358 0.000 1.120 349 H CB -0.497 28.704 29.762 -0.933 0.000 2.131 349 H HN -0.062 nan 8.280 nan 0.000 0.549 350 F N 1.971 121.922 119.950 0.001 0.000 2.612 350 F HA 0.246 4.107 4.527 -1.110 0.000 0.389 350 F C 1.532 177.394 175.800 0.103 0.000 1.055 350 F CA 2.103 60.157 58.000 0.090 0.000 1.232 350 F CB 0.508 39.574 39.000 0.111 0.000 1.044 350 F HN 0.633 nan 8.300 nan 0.000 0.560 351 G N 3.493 112.031 108.800 -0.438 0.000 2.179 351 G HA2 -0.195 3.101 3.960 -1.107 0.000 0.260 351 G HA3 -0.195 3.101 3.960 -1.107 0.000 0.260 351 G C 0.284 175.201 174.900 0.028 0.000 0.977 351 G CA 0.043 45.036 45.100 -0.178 0.000 0.641 351 G HN 1.343 nan 8.290 nan 0.000 0.533 352 A N 0.247 123.136 122.820 0.115 0.000 2.445 352 A HA 0.774 4.430 4.320 -1.107 0.000 0.242 352 A C 0.983 178.706 177.584 0.232 0.000 1.075 352 A CA 0.992 53.139 52.037 0.183 0.000 0.777 352 A CB 0.441 19.534 19.000 0.156 0.000 1.013 352 A HN 2.093 nan 8.150 nan 0.000 0.493 353 A N 1.198 124.128 122.820 0.183 0.000 2.440 353 A HA 0.490 4.146 4.320 -1.107 0.000 0.251 353 A C -0.470 177.242 177.584 0.213 0.000 1.089 353 A CA 0.002 52.124 52.037 0.142 0.000 0.779 353 A CB -0.112 18.943 19.000 0.092 0.000 1.022 353 A HN 0.933 nan 8.150 nan 0.000 0.492 354 Y N 1.778 122.043 120.300 -0.059 0.000 2.387 354 Y HA 0.450 4.337 4.550 -1.105 0.000 0.336 354 Y C 1.321 177.184 175.900 -0.062 0.000 1.067 354 Y CA 0.522 58.531 58.100 -0.153 0.000 1.114 354 Y CB 1.928 40.081 38.460 -0.512 0.000 1.208 354 Y HN 0.852 nan 8.280 nan 0.000 0.458 355 T N 0.459 114.693 114.554 -0.534 0.000 3.393 355 T HA 0.343 4.029 4.350 -1.107 0.000 0.231 355 T C -0.202 173.933 174.700 -0.942 0.000 0.983 355 T CA 0.089 61.885 62.100 -0.507 0.000 1.272 355 T CB 0.096 68.771 68.868 -0.322 0.000 1.214 355 T HN 0.553 nan 8.240 nan 0.000 0.368 356 H N 0.261 118.936 119.070 -0.659 0.000 2.949 356 H HA 0.400 4.292 4.556 -1.107 0.000 0.356 356 H C 0.940 175.898 175.328 -0.616 0.000 1.212 356 H CA -0.005 55.704 56.048 -0.565 0.000 1.136 356 H CB 1.612 31.140 29.762 -0.391 0.000 1.869 356 H HN 0.636 nan 8.280 nan 0.000 0.556 357 H N -0.216 118.790 119.070 -0.106 0.000 2.423 357 H HA -0.109 3.783 4.556 -1.107 0.000 0.297 357 H C 0.570 175.891 175.328 -0.012 0.000 1.075 357 H CA 1.722 57.792 56.048 0.037 0.000 1.342 357 H CB -0.052 29.708 29.762 -0.003 0.000 1.395 357 H HN 0.481 nan 8.280 nan 0.000 0.530 358 D N 0.905 120.884 120.400 -0.702 0.000 2.336 358 D HA 0.161 4.137 4.640 -1.107 0.000 0.229 358 D C 0.805 176.918 176.300 -0.311 0.000 1.061 358 D CA 0.353 54.116 54.000 -0.395 0.000 0.875 358 D CB -0.319 40.194 40.800 -0.479 0.000 0.904 358 D HN 0.648 nan 8.370 nan 0.000 0.525 359 A N 0.404 122.994 122.820 -0.384 0.000 2.313 359 A HA 0.350 4.006 4.320 -1.107 0.000 0.261 359 A C 0.217 177.396 177.584 -0.675 0.000 1.090 359 A CA -0.617 51.085 52.037 -0.559 0.000 0.807 359 A CB 0.208 18.748 19.000 -0.767 0.000 1.055 359 A HN 0.170 nan 8.150 nan 0.000 0.492 360 N N -0.190 118.142 118.700 -0.615 0.000 2.414 360 N HA 0.309 4.385 4.740 -1.107 0.000 0.256 360 N C -0.867 174.263 175.510 -0.633 0.000 1.029 360 N CA 0.041 52.800 53.050 -0.485 0.000 0.948 360 N CB 0.156 38.459 38.487 -0.306 0.000 1.102 360 N HN 0.492 nan 8.380 nan 0.000 0.496 361 Y N 0.211 120.329 120.300 -0.304 0.000 2.467 361 Y HA 0.272 4.159 4.550 -1.105 0.000 0.250 361 Y C -0.073 175.497 175.900 -0.550 0.000 1.155 361 Y CA -0.628 57.185 58.100 -0.479 0.000 1.249 361 Y CB 0.064 38.075 38.460 -0.748 0.000 1.146 361 Y HN 0.409 nan 8.280 nan 0.000 0.524 362 D N 0.649 120.814 120.400 -0.391 0.000 2.583 362 D HA 0.161 4.136 4.640 -1.107 0.000 0.232 362 D C 1.528 177.470 176.300 -0.598 0.000 1.128 362 D CA 1.932 55.494 54.000 -0.729 0.000 0.859 362 D CB 0.587 40.597 40.800 -1.317 0.000 1.169 362 D HN 0.536 nan 8.370 nan 0.000 0.481 363 G N 1.943 110.543 108.800 -0.335 0.000 2.212 363 G HA2 -0.281 3.014 3.960 -1.107 0.000 0.266 363 G HA3 -0.281 3.014 3.960 -1.107 0.000 0.266 363 G C 0.221 175.183 174.900 0.103 0.000 0.978 363 G CA 0.039 45.194 45.100 0.091 0.000 0.632 363 G HN 0.488 nan 8.290 nan 0.000 0.537 364 Q N 0.498 120.335 119.800 0.062 0.000 2.235 364 Q HA 0.567 4.243 4.340 -1.107 0.000 0.250 364 Q C 0.872 176.960 176.000 0.148 0.000 0.909 364 Q CA 0.492 56.344 55.803 0.081 0.000 0.910 364 Q CB 1.122 29.886 28.738 0.044 0.000 1.223 364 Q HN 1.740 nan 8.270 nan 0.000 0.432 365 G N 0.232 109.108 108.800 0.127 0.000 2.855 365 G HA2 -0.208 3.088 3.960 -1.107 0.000 0.352 365 G HA3 -0.208 3.088 3.960 -1.107 0.000 0.352 365 G C -0.708 174.282 174.900 0.151 0.000 1.415 365 G CA -0.551 44.635 45.100 0.143 0.000 0.871 365 G HN 0.453 nan 8.290 nan 0.000 0.543 366 V N 1.223 121.251 119.914 0.190 0.000 2.408 366 V HA 0.329 3.785 4.120 -1.107 0.000 0.267 366 V C 0.457 176.611 176.094 0.100 0.000 1.047 366 V CA 0.145 62.534 62.300 0.149 0.000 0.937 366 V CB 1.522 33.441 31.823 0.159 0.000 0.999 366 V HN 0.755 nan 8.190 nan 0.000 0.472 367 D N 4.443 124.868 120.400 0.041 0.000 2.470 367 D HA 0.125 4.101 4.640 -1.107 0.000 0.226 367 D C 1.213 177.517 176.300 0.007 0.000 1.196 367 D CA 0.112 54.098 54.000 -0.023 0.000 0.979 367 D CB 0.932 41.712 40.800 -0.033 0.000 1.059 367 D HN 0.621 nan 8.370 nan 0.000 0.515 368 Q N 2.535 122.356 119.800 0.034 0.000 2.124 368 Q HA -0.129 3.547 4.340 -1.107 0.000 0.202 368 Q C 1.756 177.742 176.000 -0.023 0.000 0.977 368 Q CA 0.781 56.608 55.803 0.041 0.000 0.850 368 Q CB 0.371 29.180 28.738 0.118 0.000 0.901 368 Q HN 0.566 nan 8.270 nan 0.000 0.429 369 I N 1.366 121.872 120.570 -0.108 0.000 2.226 369 I HA -0.254 3.252 4.170 -1.107 0.000 0.245 369 I C 2.342 178.398 176.117 -0.102 0.000 1.100 369 I CA 1.494 62.683 61.300 -0.184 0.000 1.374 369 I CB -1.017 36.861 38.000 -0.203 0.000 1.057 369 I HN 0.240 nan 8.210 nan 0.000 0.413 370 K N 1.328 121.695 120.400 -0.056 0.000 2.057 370 K HA -0.139 3.517 4.320 -1.107 0.000 0.207 370 K C 2.230 178.815 176.600 -0.024 0.000 1.049 370 K CA 1.525 57.795 56.287 -0.028 0.000 0.931 370 K CB -0.001 32.500 32.500 0.001 0.000 0.714 370 K HN 0.224 nan 8.250 nan 0.000 0.440 371 A N 1.364 124.177 122.820 -0.012 0.000 1.902 371 A HA -0.130 3.526 4.320 -1.107 0.000 0.217 371 A C 2.092 179.670 177.584 -0.010 0.000 1.181 371 A CA 1.505 53.541 52.037 -0.001 0.000 0.623 371 A CB -0.558 18.451 19.000 0.015 0.000 0.818 371 A HN 0.359 nan 8.150 nan 0.000 0.443 372 I N -0.510 120.051 120.570 -0.014 0.000 2.226 372 I HA -0.200 3.306 4.170 -1.107 0.000 0.245 372 I C 2.317 178.374 176.117 -0.100 0.000 1.100 372 I CA 0.966 62.250 61.300 -0.026 0.000 1.374 372 I CB -0.274 37.730 38.000 0.007 0.000 1.057 372 I HN 0.146 nan 8.210 nan 0.000 0.413 373 V N 0.812 120.654 119.914 -0.120 0.000 2.392 373 V HA -0.243 3.213 4.120 -1.107 0.000 0.249 373 V C 2.470 178.514 176.094 -0.083 0.000 1.059 373 V CA 1.726 63.950 62.300 -0.128 0.000 1.051 373 V CB -0.601 31.160 31.823 -0.103 0.000 0.658 373 V HN 0.418 nan 8.190 nan 0.000 0.455 374 E N -0.199 119.969 120.200 -0.052 0.000 2.072 374 E HA -0.121 3.565 4.350 -1.107 0.000 0.190 374 E C 2.308 178.887 176.600 -0.035 0.000 0.982 374 E CA 1.590 57.968 56.400 -0.036 0.000 0.803 374 E CB -0.870 28.819 29.700 -0.020 0.000 0.755 374 E HN 0.569 nan 8.360 nan 0.000 0.453 375 T N 2.155 116.690 114.554 -0.031 0.000 2.746 375 T HA -0.057 3.629 4.350 -1.107 0.000 0.267 375 T C 2.106 176.784 174.700 -0.037 0.000 1.039 375 T CA 0.720 62.807 62.100 -0.023 0.000 1.142 375 T CB -0.251 68.614 68.868 -0.005 0.000 0.866 375 T HN 0.065 nan 8.240 nan 0.000 0.444 376 L N 0.402 121.589 121.223 -0.060 0.000 2.131 376 L HA -0.092 3.583 4.340 -1.107 0.000 0.210 376 L C 2.450 179.280 176.870 -0.066 0.000 1.092 376 L CA 1.328 56.123 54.840 -0.076 0.000 0.759 376 L CB -0.373 41.608 42.059 -0.131 0.000 0.903 376 L HN 0.245 nan 8.230 nan 0.000 0.435 377 K N -1.167 119.197 120.400 -0.060 0.000 2.365 377 K HA -0.016 3.640 4.320 -1.107 0.000 0.197 377 K C 1.748 178.325 176.600 -0.039 0.000 1.042 377 K CA 1.406 57.663 56.287 -0.050 0.000 0.987 377 K CB 0.166 32.638 32.500 -0.048 0.000 0.779 377 K HN 0.438 nan 8.250 nan 0.000 0.484 378 T N -3.184 111.349 114.554 -0.034 0.000 2.964 378 T HA 0.070 3.756 4.350 -1.107 0.000 0.250 378 T C 0.576 175.261 174.700 -0.025 0.000 0.982 378 T CA -0.169 61.915 62.100 -0.027 0.000 0.959 378 T CB 0.143 68.998 68.868 -0.021 0.000 1.141 378 T HN -0.078 nan 8.240 nan 0.000 0.494 379 N N 2.106 120.790 118.700 -0.027 0.000 2.687 379 N HA 0.344 4.420 4.740 -1.107 0.000 0.275 379 N C -2.211 173.280 175.510 -0.032 0.000 1.789 379 N CA -1.980 51.055 53.050 -0.025 0.000 0.806 379 N CB 1.401 39.879 38.487 -0.015 0.000 1.256 379 N HN 0.022 nan 8.380 nan 0.000 0.500 380 P HA -0.094 nan 4.420 nan 0.000 0.222 380 P C -0.154 177.094 177.300 -0.087 0.000 1.142 380 P CA 1.147 64.209 63.100 -0.064 0.000 0.788 380 P CB 0.449 32.104 31.700 -0.075 0.000 0.767 381 D N -0.480 119.875 120.400 -0.075 0.000 2.339 381 D HA 0.011 3.987 4.640 -1.107 0.000 0.217 381 D C 0.407 176.688 176.300 -0.031 0.000 1.050 381 D CA 0.107 54.055 54.000 -0.086 0.000 0.856 381 D CB -0.546 40.211 40.800 -0.072 0.000 0.922 381 D HN 0.287 nan 8.370 nan 0.000 0.518 382 D N 0.577 120.970 120.400 -0.011 0.000 2.525 382 D HA -0.054 3.922 4.640 -1.107 0.000 0.235 382 D C 0.658 176.983 176.300 0.040 0.000 1.137 382 D CA 0.240 54.248 54.000 0.014 0.000 0.868 382 D CB 0.696 41.506 40.800 0.016 0.000 1.180 382 D HN -0.140 nan 8.370 nan 0.000 0.465 383 R N 2.779 123.307 120.500 0.048 0.000 2.586 383 R HA 0.220 3.896 4.340 -1.107 0.000 0.306 383 R C 0.410 176.743 176.300 0.055 0.000 1.079 383 R CA -0.037 56.104 56.100 0.069 0.000 1.083 383 R CB 0.424 30.762 30.300 0.065 0.000 1.306 383 R HN 0.365 nan 8.270 nan 0.000 0.567 384 R N 0.043 120.575 120.500 0.053 0.000 2.600 384 R HA 0.278 3.953 4.340 -1.107 0.000 0.392 384 R C -0.063 176.277 176.300 0.067 0.000 1.032 384 R CA -0.161 55.965 56.100 0.043 0.000 1.139 384 R CB 0.674 30.991 30.300 0.027 0.000 1.400 384 R HN 0.028 nan 8.270 nan 0.000 0.566 385 M N 3.020 122.684 119.600 0.106 0.000 3.237 385 M HA 0.246 4.062 4.480 -1.107 0.000 0.266 385 M C -0.705 175.735 176.300 0.234 0.000 1.456 385 M CA 0.370 55.776 55.300 0.177 0.000 1.593 385 M CB -0.197 32.532 32.600 0.215 0.000 1.129 385 M HN 0.096 nan 8.290 nan 0.000 0.547 386 L N -0.244 121.075 121.223 0.160 0.000 2.434 386 L HA 0.885 4.561 4.340 -1.107 0.000 0.260 386 L C -1.043 175.906 176.870 0.132 0.000 0.983 386 L CA -1.215 53.679 54.840 0.089 0.000 0.820 386 L CB 1.687 43.713 42.059 -0.054 0.000 1.361 386 L HN 0.323 nan 8.230 nan 0.000 0.410 387 F N -1.042 118.887 119.950 -0.034 0.000 2.561 387 F HA 0.954 4.820 4.527 -1.102 0.000 0.321 387 F C -0.245 175.537 175.800 -0.030 0.000 1.065 387 F CA -0.741 57.224 58.000 -0.059 0.000 0.934 387 F CB 1.969 40.892 39.000 -0.128 0.000 1.215 387 F HN 0.676 nan 8.300 nan 0.000 0.471 388 T N 0.046 114.708 114.554 0.180 0.000 2.883 388 T HA 0.684 4.370 4.350 -1.107 0.000 0.301 388 T C -0.342 174.682 174.700 0.540 0.000 1.158 388 T CA -0.032 62.209 62.100 0.235 0.000 1.007 388 T CB 1.631 70.595 68.868 0.161 0.000 1.186 388 T HN 1.149 nan 8.240 nan 0.000 0.499 389 A N 2.093 125.250 122.820 0.562 0.000 2.469 389 A HA 0.293 3.948 4.320 -1.107 0.000 0.245 389 A C 0.387 178.184 177.584 0.355 0.000 1.221 389 A CA -0.506 51.836 52.037 0.509 0.000 0.946 389 A CB 0.141 19.400 19.000 0.430 0.000 1.049 389 A HN 0.779 nan 8.150 nan 0.000 0.529 390 W N 2.438 123.882 121.300 0.241 0.000 2.290 390 W HA 0.307 4.319 4.660 -1.080 0.000 0.408 390 W C -0.746 175.913 176.519 0.233 0.000 0.966 390 W CA -0.406 57.038 57.345 0.165 0.000 1.579 390 W CB 0.189 29.721 29.460 0.120 0.000 1.662 390 W HN 0.292 nan 8.180 nan 0.000 0.341 391 N N 6.464 125.123 118.700 -0.068 0.000 2.707 391 N HA 0.228 4.304 4.740 -1.107 0.000 0.235 391 N C -1.845 173.513 175.510 -0.254 0.000 1.028 391 N CA -2.227 50.799 53.050 -0.041 0.000 0.906 391 N CB 1.438 39.737 38.487 -0.314 0.000 1.131 391 N HN 0.029 nan 8.380 nan 0.000 0.509 392 P HA -0.133 nan 4.420 nan 0.000 0.217 392 P C 0.874 178.090 177.300 -0.139 0.000 1.148 392 P CA 1.280 64.272 63.100 -0.181 0.000 0.834 392 P CB 0.407 32.108 31.700 0.002 0.000 0.783 393 S N -1.035 114.605 115.700 -0.100 0.000 2.402 393 S HA -0.049 3.757 4.470 -1.107 0.000 0.229 393 S C 1.934 176.453 174.600 -0.135 0.000 1.021 393 S CA 1.302 59.448 58.200 -0.091 0.000 0.974 393 S CB -0.638 62.526 63.200 -0.061 0.000 0.800 393 S HN 0.191 nan 8.310 nan 0.000 0.484 394 A N 0.428 123.129 122.820 -0.198 0.000 2.169 394 A HA 0.332 3.988 4.320 -1.107 0.000 0.210 394 A C 1.753 179.199 177.584 -0.229 0.000 1.168 394 A CA 0.018 51.928 52.037 -0.213 0.000 0.813 394 A CB -0.287 18.558 19.000 -0.259 0.000 0.861 394 A HN 0.306 nan 8.150 nan 0.000 0.481 395 L N 0.536 121.594 121.223 -0.276 0.000 2.021 395 L HA -0.150 3.526 4.340 -1.107 0.000 0.215 395 L C -0.600 176.157 176.870 -0.189 0.000 1.074 395 L CA 2.574 57.236 54.840 -0.297 0.000 0.760 395 L CB -1.421 40.395 42.059 -0.405 0.000 0.889 395 L HN 0.203 nan 8.230 nan 0.000 0.433 396 P HA -0.144 nan 4.420 nan 0.000 0.219 396 P C 1.117 178.351 177.300 -0.111 0.000 1.146 396 P CA 1.181 64.212 63.100 -0.115 0.000 0.808 396 P CB -0.038 31.602 31.700 -0.099 0.000 0.779 397 R N -1.614 118.817 120.500 -0.114 0.000 2.313 397 R HA 0.209 3.885 4.340 -1.107 0.000 0.199 397 R C 0.942 177.226 176.300 -0.027 0.000 0.958 397 R CA 0.342 56.396 56.100 -0.078 0.000 1.047 397 R CB -0.549 29.707 30.300 -0.074 0.000 0.955 397 R HN 0.368 nan 8.270 nan 0.000 0.481 398 M N -0.623 118.931 119.600 -0.077 0.000 2.342 398 M HA 0.277 4.092 4.480 -1.107 0.000 0.332 398 M C 1.351 177.696 176.300 0.075 0.000 1.166 398 M CA -0.306 54.966 55.300 -0.047 0.000 1.086 398 M CB 1.544 34.076 32.600 -0.114 0.000 1.541 398 M HN -0.073 nan 8.290 nan 0.000 0.462 399 A N 2.964 125.893 122.820 0.182 0.000 2.019 399 A HA 0.113 3.769 4.320 -1.107 0.000 0.219 399 A C 0.604 178.436 177.584 0.414 0.000 1.164 399 A CA 1.263 53.513 52.037 0.354 0.000 0.644 399 A CB -0.458 18.840 19.000 0.497 0.000 0.805 399 A HN 0.807 nan 8.150 nan 0.000 0.449 400 L N -6.139 115.256 121.223 0.285 0.000 2.845 400 L HA 0.524 4.199 4.340 -1.107 0.000 0.256 400 L C -3.470 173.468 176.870 0.113 0.000 0.968 400 L CA -1.931 53.054 54.840 0.241 0.000 0.944 400 L CB 0.940 43.205 42.059 0.344 0.000 1.494 400 L HN -0.229 nan 8.230 nan 0.000 0.419 401 P HA 0.273 nan 4.420 nan 0.000 0.269 401 P C -2.589 174.730 177.300 0.032 0.000 1.215 401 P CA -0.676 62.399 63.100 -0.042 0.000 0.780 401 P CB -0.089 31.614 31.700 0.005 0.000 0.898 402 P HA 0.056 nan 4.420 nan 0.000 0.275 402 P C -0.104 177.312 177.300 0.195 0.000 1.228 402 P CA -0.056 62.888 63.100 -0.260 0.000 0.786 402 P CB 0.828 32.238 31.700 -0.483 0.000 0.927 403 C N 0.990 120.452 119.300 0.269 0.000 2.564 403 C HA 0.027 3.823 4.460 -1.107 0.000 0.281 403 C C 1.240 176.435 174.990 0.342 0.000 1.314 403 C CA 0.563 59.774 59.018 0.321 0.000 1.706 403 C CB -1.705 26.247 27.740 0.353 0.000 2.109 403 C HN 0.705 nan 8.230 nan 0.000 0.502 404 H N 1.184 120.542 119.070 0.480 0.000 2.690 404 H HA 0.502 4.393 4.556 -1.109 0.000 0.289 404 H C 0.273 175.896 175.328 0.491 0.000 1.089 404 H CA -0.574 55.683 56.048 0.349 0.000 1.299 404 H CB 0.057 30.008 29.762 0.314 0.000 1.405 404 H HN 0.348 nan 8.280 nan 0.000 0.463 405 L N 1.202 122.652 121.223 0.377 0.000 2.731 405 L HA 0.440 4.116 4.340 -1.107 0.000 0.240 405 L C -0.456 176.563 176.870 0.248 0.000 1.120 405 L CA -0.229 54.836 54.840 0.374 0.000 0.913 405 L CB 0.467 42.773 42.059 0.411 0.000 1.213 405 L HN 0.475 nan 8.230 nan 0.000 0.515 406 L N 0.652 121.930 121.223 0.092 0.000 2.505 406 L HA 0.946 4.622 4.340 -1.107 0.000 0.259 406 L C -1.583 175.067 176.870 -0.366 0.000 0.952 406 L CA -0.467 54.283 54.840 -0.150 0.000 0.840 406 L CB 2.103 44.109 42.059 -0.088 0.000 1.358 406 L HN 0.064 nan 8.230 nan 0.000 0.409 407 A N 3.839 126.224 122.820 -0.726 0.000 2.488 407 A HA 0.742 4.397 4.320 -1.107 0.000 0.298 407 A C -1.612 175.577 177.584 -0.658 0.000 1.044 407 A CA -0.464 51.117 52.037 -0.759 0.000 0.693 407 A CB 1.727 20.141 19.000 -0.977 0.000 1.272 407 A HN 0.743 nan 8.150 nan 0.000 0.402 408 Q N 1.443 120.943 119.800 -0.500 0.000 2.365 408 Q HA 0.745 4.421 4.340 -1.107 0.000 0.269 408 Q C -1.841 173.916 176.000 -0.404 0.000 1.061 408 Q CA -0.525 55.086 55.803 -0.319 0.000 0.816 408 Q CB 1.476 30.127 28.738 -0.144 0.000 1.325 408 Q HN 0.629 nan 8.270 nan 0.000 0.446 409 F N 1.861 121.864 119.950 0.088 0.000 2.470 409 F HA 0.542 4.408 4.527 -1.103 0.000 0.329 409 F C -0.711 175.192 175.800 0.173 0.000 1.072 409 F CA -0.645 57.428 58.000 0.122 0.000 0.989 409 F CB 1.423 40.484 39.000 0.102 0.000 1.193 409 F HN 0.516 nan 8.300 nan 0.000 0.481 410 Y N 0.936 121.370 120.300 0.222 0.000 2.513 410 Y HA 0.714 4.601 4.550 -1.105 0.000 0.340 410 Y C -1.871 174.095 175.900 0.111 0.000 1.055 410 Y CA -0.999 57.174 58.100 0.122 0.000 1.020 410 Y CB 1.701 40.202 38.460 0.068 0.000 1.301 410 Y HN 0.345 nan 8.280 nan 0.000 0.453 411 V N 4.357 123.982 119.914 -0.481 0.000 2.656 411 V HA 0.758 4.213 4.120 -1.107 0.000 0.307 411 V C -1.145 174.666 176.094 -0.471 0.000 1.051 411 V CA -0.499 61.617 62.300 -0.308 0.000 0.893 411 V CB 1.775 33.489 31.823 -0.181 0.000 0.999 411 V HN 0.806 nan 8.190 nan 0.000 0.426 412 S N 2.525 118.124 115.700 -0.168 0.000 2.592 412 S HA 0.473 4.279 4.470 -1.107 0.000 0.275 412 S C -0.328 174.265 174.600 -0.011 0.000 1.169 412 S CA -0.809 57.344 58.200 -0.078 0.000 0.958 412 S CB 1.424 64.674 63.200 0.083 0.000 1.095 412 S HN 0.791 nan 8.310 nan 0.000 0.471 413 N N 1.526 120.216 118.700 -0.016 0.000 2.721 413 N HA -0.203 3.873 4.740 -1.107 0.000 0.249 413 N C 1.021 176.529 175.510 -0.003 0.000 1.072 413 N CA 1.572 54.621 53.050 -0.002 0.000 0.710 413 N CB -1.623 36.874 38.487 0.016 0.000 0.993 413 N HN 2.105 nan 8.380 nan 0.000 0.547 414 G N -0.839 107.951 108.800 -0.017 0.000 2.153 414 G HA2 -0.326 2.970 3.960 -1.107 0.000 0.252 414 G HA3 -0.326 2.970 3.960 -1.107 0.000 0.252 414 G C -0.250 174.649 174.900 -0.001 0.000 0.994 414 G CA 0.747 45.838 45.100 -0.015 0.000 0.698 414 G HN 0.610 nan 8.290 nan 0.000 0.521 415 E N -0.657 119.550 120.200 0.011 0.000 2.171 415 E HA 0.554 4.239 4.350 -1.107 0.000 0.271 415 E C -0.584 176.052 176.600 0.060 0.000 0.916 415 E CA -1.043 55.380 56.400 0.040 0.000 0.774 415 E CB 2.074 31.808 29.700 0.058 0.000 1.128 415 E HN 0.141 nan 8.360 nan 0.000 0.403 416 L N 2.516 123.784 121.223 0.076 0.000 2.260 416 L HA 0.307 3.983 4.340 -1.107 0.000 0.289 416 L C -0.750 176.238 176.870 0.197 0.000 1.057 416 L CA 0.182 55.097 54.840 0.124 0.000 0.811 416 L CB 1.119 43.230 42.059 0.085 0.000 1.184 416 L HN 0.326 nan 8.230 nan 0.000 0.429 417 S N 3.688 119.544 115.700 0.261 0.000 2.593 417 S HA 0.676 4.482 4.470 -1.107 0.000 0.297 417 S C -1.114 173.645 174.600 0.266 0.000 1.112 417 S CA -0.585 57.762 58.200 0.245 0.000 1.043 417 S CB 1.522 64.865 63.200 0.238 0.000 1.054 417 S HN 0.826 nan 8.310 nan 0.000 0.516 418 C N 3.611 122.995 119.300 0.141 0.000 2.609 418 C HA 0.806 4.602 4.460 -1.107 0.000 0.313 418 C C -0.735 174.203 174.990 -0.087 0.000 1.175 418 C CA -0.725 58.262 59.018 -0.052 0.000 1.434 418 C CB 0.611 28.333 27.740 -0.029 0.000 2.005 418 C HN 0.966 nan 8.230 nan 0.000 0.471 419 M N 6.164 125.650 119.600 -0.190 0.000 2.294 419 M HA 0.761 4.577 4.480 -1.107 0.000 0.335 419 M C -1.368 174.794 176.300 -0.230 0.000 1.079 419 M CA -0.367 54.845 55.300 -0.147 0.000 0.982 419 M CB 1.474 34.004 32.600 -0.117 0.000 1.651 419 M HN 0.751 nan 8.290 nan 0.000 0.437 420 L N 5.501 126.590 121.223 -0.223 0.000 2.346 420 L HA 0.611 4.287 4.340 -1.107 0.000 0.274 420 L C -2.236 174.542 176.870 -0.152 0.000 1.007 420 L CA -0.346 54.271 54.840 -0.371 0.000 0.818 420 L CB 1.662 43.261 42.059 -0.768 0.000 1.284 420 L HN 0.769 nan 8.230 nan 0.000 0.424 421 Y N 3.752 123.928 120.300 -0.208 0.000 2.328 421 Y HA 0.524 4.393 4.550 -1.136 0.000 0.333 421 Y C -0.693 175.193 175.900 -0.022 0.000 0.958 421 Y CA -0.215 57.830 58.100 -0.093 0.000 1.167 421 Y CB 1.172 39.563 38.460 -0.115 0.000 1.151 421 Y HN 0.742 nan 8.280 nan 0.000 0.470 422 Q N 6.607 126.112 119.800 -0.492 0.000 2.341 422 Q HA 0.281 3.957 4.340 -1.107 0.000 0.268 422 Q C 0.701 176.495 176.000 -0.344 0.000 1.013 422 Q CA -0.717 54.981 55.803 -0.174 0.000 0.798 422 Q CB 1.178 29.973 28.738 0.095 0.000 1.253 422 Q HN 0.990 nan 8.270 nan 0.000 0.457 423 R N 1.187 121.648 120.500 -0.066 0.000 2.115 423 R HA 0.091 3.767 4.340 -1.107 0.000 0.226 423 R C 0.388 176.743 176.300 0.091 0.000 1.100 423 R CA 0.617 56.741 56.100 0.040 0.000 0.980 423 R CB 0.272 30.636 30.300 0.107 0.000 0.875 423 R HN 0.258 nan 8.270 nan 0.000 0.445 424 S N -0.077 115.698 115.700 0.126 0.000 2.614 424 S HA 0.482 4.287 4.470 -1.107 0.000 0.288 424 S C -1.421 173.261 174.600 0.137 0.000 1.137 424 S CA -0.852 57.463 58.200 0.192 0.000 0.992 424 S CB 1.497 64.847 63.200 0.252 0.000 1.026 424 S HN 0.366 nan 8.310 nan 0.000 0.486 425 C N 3.875 123.167 119.300 -0.013 0.000 2.383 425 C HA 0.484 4.280 4.460 -1.107 0.000 0.330 425 C C -0.383 174.284 174.990 -0.537 0.000 1.168 425 C CA -1.215 57.715 59.018 -0.146 0.000 1.374 425 C CB 0.233 27.906 27.740 -0.113 0.000 2.014 425 C HN 0.888 nan 8.230 nan 0.000 0.439 426 D N 3.779 124.000 120.400 -0.299 0.000 2.374 426 D HA 0.185 4.161 4.640 -1.107 0.000 0.240 426 D C 1.233 177.514 176.300 -0.033 0.000 1.229 426 D CA -0.323 53.525 54.000 -0.253 0.000 0.895 426 D CB 0.620 41.524 40.800 0.173 0.000 1.046 426 D HN 0.367 nan 8.370 nan 0.000 0.498 427 M N 2.742 122.293 119.600 -0.081 0.000 2.149 427 M HA -0.024 3.792 4.480 -1.107 0.000 0.261 427 M C 1.997 178.441 176.300 0.241 0.000 1.064 427 M CA 1.111 56.459 55.300 0.079 0.000 1.102 427 M CB -1.349 31.210 32.600 -0.069 0.000 1.369 427 M HN 0.513 nan 8.290 nan 0.000 0.408 428 G N -0.056 108.875 108.800 0.219 0.000 2.511 428 G HA2 -0.151 3.145 3.960 -1.107 0.000 0.216 428 G HA3 -0.151 3.145 3.960 -1.107 0.000 0.216 428 G C 1.553 176.560 174.900 0.178 0.000 1.218 428 G CA 0.879 46.106 45.100 0.211 0.000 0.788 428 G HN 0.413 nan 8.290 nan 0.000 0.560 429 L N -0.507 120.831 121.223 0.191 0.000 2.653 429 L HA 0.424 4.100 4.340 -1.107 0.000 0.230 429 L C 2.707 179.685 176.870 0.179 0.000 1.055 429 L CA 1.248 56.183 54.840 0.158 0.000 0.880 429 L CB 0.016 42.144 42.059 0.115 0.000 1.195 429 L HN 0.216 nan 8.230 nan 0.000 0.492 430 G N -0.729 108.176 108.800 0.174 0.000 2.414 430 G HA2 -0.156 3.140 3.960 -1.107 0.000 0.215 430 G HA3 -0.156 3.140 3.960 -1.107 0.000 0.215 430 G C 1.457 176.498 174.900 0.235 0.000 1.188 430 G CA 1.043 46.244 45.100 0.168 0.000 0.783 430 G HN 0.161 nan 8.290 nan 0.000 0.537 431 V N 2.120 122.169 119.914 0.224 0.000 2.287 431 V HA -0.119 3.337 4.120 -1.107 0.000 0.248 431 V C 0.310 176.513 176.094 0.182 0.000 1.053 431 V CA 2.323 64.779 62.300 0.259 0.000 1.027 431 V CB -0.958 31.040 31.823 0.292 0.000 0.646 431 V HN 0.293 nan 8.190 nan 0.000 0.447 432 P HA -0.162 nan 4.420 nan 0.000 0.217 432 P C 1.668 178.981 177.300 0.022 0.000 1.150 432 P CA 1.399 64.462 63.100 -0.061 0.000 0.832 432 P CB -0.093 31.556 31.700 -0.085 0.000 0.787 433 F N 0.721 120.673 119.950 0.003 0.000 2.075 433 F HA -0.196 3.666 4.527 -1.108 0.000 0.297 433 F C 1.995 177.792 175.800 -0.004 0.000 1.113 433 F CA 1.579 59.586 58.000 0.011 0.000 1.218 433 F CB -0.609 38.418 39.000 0.044 0.000 0.984 433 F HN -0.149 nan 8.300 nan 0.000 0.472 434 N N 0.884 119.757 118.700 0.289 0.000 2.104 434 N HA -0.213 3.863 4.740 -1.107 0.000 0.190 434 N C 2.054 177.569 175.510 0.009 0.000 1.024 434 N CA 1.981 55.130 53.050 0.165 0.000 0.853 434 N CB -0.566 38.009 38.487 0.145 0.000 1.008 434 N HN 0.377 nan 8.380 nan 0.000 0.424 435 I N 1.326 121.847 120.570 -0.080 0.000 2.208 435 I HA -0.244 3.262 4.170 -1.107 0.000 0.245 435 I C 2.427 178.412 176.117 -0.220 0.000 1.097 435 I CA 1.104 62.263 61.300 -0.236 0.000 1.363 435 I CB -0.326 37.404 38.000 -0.448 0.000 1.051 435 I HN 0.070 nan 8.210 nan 0.000 0.413 436 A N 0.189 122.886 122.820 -0.206 0.000 1.898 436 A HA -0.164 3.492 4.320 -1.107 0.000 0.216 436 A C 2.491 180.021 177.584 -0.090 0.000 1.181 436 A CA 2.001 53.949 52.037 -0.149 0.000 0.620 436 A CB -0.669 18.251 19.000 -0.132 0.000 0.819 436 A HN 0.396 nan 8.150 nan 0.000 0.442 437 S N -1.056 114.553 115.700 -0.153 0.000 2.353 437 S HA -0.188 3.618 4.470 -1.107 0.000 0.222 437 S C 1.775 176.293 174.600 -0.136 0.000 1.035 437 S CA 1.714 59.821 58.200 -0.154 0.000 1.025 437 S CB -0.636 62.517 63.200 -0.078 0.000 0.902 437 S HN 0.676 nan 8.310 nan 0.000 0.440 438 Y N 1.400 121.665 120.300 -0.059 0.000 2.516 438 Y HA 0.131 4.021 4.550 -1.101 0.000 0.291 438 Y C 2.465 178.370 175.900 0.008 0.000 1.131 438 Y CA 0.382 58.474 58.100 -0.013 0.000 1.281 438 Y CB -0.381 38.021 38.460 -0.096 0.000 1.013 438 Y HN 0.281 nan 8.280 nan 0.000 0.554 439 A N -0.143 122.714 122.820 0.062 0.000 1.897 439 A HA -0.119 3.536 4.320 -1.107 0.000 0.215 439 A C 2.187 179.812 177.584 0.068 0.000 1.181 439 A CA 1.022 53.080 52.037 0.036 0.000 0.620 439 A CB -0.820 18.138 19.000 -0.070 0.000 0.821 439 A HN 0.490 nan 8.150 nan 0.000 0.443 440 L N -0.837 120.432 121.223 0.077 0.000 2.017 440 L HA -0.157 3.519 4.340 -1.107 0.000 0.208 440 L C 2.526 179.448 176.870 0.087 0.000 1.073 440 L CA 1.843 56.757 54.840 0.123 0.000 0.745 440 L CB -0.305 41.809 42.059 0.093 0.000 0.894 440 L HN 0.472 nan 8.230 nan 0.000 0.432 441 L N -0.341 120.908 121.223 0.043 0.000 2.012 441 L HA -0.240 3.436 4.340 -1.107 0.000 0.210 441 L C 2.373 179.321 176.870 0.130 0.000 1.073 441 L CA 2.426 57.303 54.840 0.061 0.000 0.748 441 L CB -0.870 41.185 42.059 -0.007 0.000 0.891 441 L HN 0.199 nan 8.230 nan 0.000 0.431 442 T N -0.074 114.594 114.554 0.190 0.000 2.788 442 T HA -0.151 3.535 4.350 -1.107 0.000 0.268 442 T C 1.968 176.744 174.700 0.126 0.000 1.044 442 T CA 1.978 64.227 62.100 0.248 0.000 1.139 442 T CB -0.346 68.673 68.868 0.251 0.000 0.867 442 T HN 0.347 nan 8.240 nan 0.000 0.454 443 I N 0.481 121.111 120.570 0.100 0.000 2.252 443 I HA -0.105 3.400 4.170 -1.107 0.000 0.245 443 I C 2.212 178.327 176.117 -0.002 0.000 1.102 443 I CA 1.113 62.458 61.300 0.075 0.000 1.385 443 I CB -0.323 37.758 38.000 0.135 0.000 1.064 443 I HN 0.199 nan 8.210 nan 0.000 0.414 444 L N 0.096 121.308 121.223 -0.018 0.000 2.056 444 L HA -0.196 3.479 4.340 -1.107 0.000 0.207 444 L C 2.504 179.283 176.870 -0.151 0.000 1.078 444 L CA 0.940 55.691 54.840 -0.149 0.000 0.749 444 L CB -0.407 41.578 42.059 -0.123 0.000 0.901 444 L HN 0.206 nan 8.230 nan 0.000 0.433 445 I N 0.290 120.797 120.570 -0.104 0.000 2.226 445 I HA -0.240 3.265 4.170 -1.107 0.000 0.245 445 I C 2.850 178.867 176.117 -0.166 0.000 1.100 445 I CA 1.546 62.740 61.300 -0.176 0.000 1.374 445 I CB -1.525 36.295 38.000 -0.299 0.000 1.057 445 I HN 0.175 nan 8.210 nan 0.000 0.413 446 A N 1.065 123.822 122.820 -0.105 0.000 1.883 446 A HA -0.236 3.420 4.320 -1.107 0.000 0.217 446 A C 2.351 179.876 177.584 -0.099 0.000 1.186 446 A CA 1.754 53.743 52.037 -0.080 0.000 0.624 446 A CB -0.559 18.427 19.000 -0.023 0.000 0.822 446 A HN 0.375 nan 8.150 nan 0.000 0.444 447 K N -0.402 119.919 120.400 -0.132 0.000 2.147 447 K HA -0.004 3.652 4.320 -1.107 0.000 0.205 447 K C 1.960 178.479 176.600 -0.135 0.000 1.049 447 K CA 1.062 57.251 56.287 -0.163 0.000 0.936 447 K CB -0.246 32.078 32.500 -0.294 0.000 0.722 447 K HN 0.444 nan 8.250 nan 0.000 0.446 448 A N 0.902 123.642 122.820 -0.133 0.000 2.208 448 A HA -0.038 3.618 4.320 -1.107 0.000 0.209 448 A C 1.666 179.195 177.584 -0.091 0.000 1.161 448 A CA 1.218 53.197 52.037 -0.097 0.000 0.782 448 A CB -0.241 18.706 19.000 -0.089 0.000 0.816 448 A HN 0.374 nan 8.150 nan 0.000 0.477 449 T N -5.498 108.995 114.554 -0.102 0.000 3.145 449 T HA 0.437 4.123 4.350 -1.107 0.000 0.281 449 T C 1.075 175.731 174.700 -0.074 0.000 1.003 449 T CA 0.832 62.876 62.100 -0.093 0.000 0.901 449 T CB 0.077 68.872 68.868 -0.122 0.000 1.112 449 T HN 1.545 nan 8.240 nan 0.000 0.535 450 G N 1.473 110.232 108.800 -0.067 0.000 2.221 450 G HA2 -0.195 3.101 3.960 -1.107 0.000 0.265 450 G HA3 -0.195 3.101 3.960 -1.107 0.000 0.265 450 G C -0.212 174.661 174.900 -0.045 0.000 1.041 450 G CA 0.466 45.535 45.100 -0.052 0.000 0.807 450 G HN 0.652 nan 8.290 nan 0.000 0.502 451 L N -1.843 119.351 121.223 -0.048 0.000 2.256 451 L HA 0.783 4.459 4.340 -1.107 0.000 0.261 451 L C 0.679 177.537 176.870 -0.019 0.000 1.022 451 L CA -1.476 53.344 54.840 -0.033 0.000 0.828 451 L CB 1.639 43.675 42.059 -0.038 0.000 1.374 451 L HN 0.086 nan 8.230 nan 0.000 0.436 452 R N 0.603 121.103 120.500 0.000 0.000 2.460 452 R HA 0.409 4.085 4.340 -1.107 0.000 0.303 452 R C -2.521 173.800 176.300 0.035 0.000 0.968 452 R CA -1.658 54.452 56.100 0.017 0.000 0.889 452 R CB 1.129 31.443 30.300 0.023 0.000 1.123 452 R HN 0.218 nan 8.270 nan 0.000 0.455 453 P HA -0.023 nan 4.420 nan 0.000 0.265 453 P C -0.236 177.110 177.300 0.076 0.000 1.193 453 P CA 0.339 63.480 63.100 0.068 0.000 0.765 453 P CB 1.076 32.818 31.700 0.069 0.000 0.823 454 G N 2.558 111.416 108.800 0.097 0.000 2.560 454 G HA2 0.195 3.491 3.960 -1.107 0.000 0.212 454 G HA3 0.195 3.491 3.960 -1.107 0.000 0.212 454 G C -0.466 174.495 174.900 0.101 0.000 2.038 454 G CA 0.022 45.181 45.100 0.098 0.000 0.728 454 G HN 0.454 nan 8.290 nan 0.000 0.784 455 E N -0.702 119.567 120.200 0.115 0.000 2.277 455 E HA 0.535 4.221 4.350 -1.107 0.000 0.266 455 E C -1.779 174.895 176.600 0.124 0.000 0.901 455 E CA -0.767 55.698 56.400 0.108 0.000 0.782 455 E CB 2.899 32.645 29.700 0.076 0.000 1.228 455 E HN 0.166 nan 8.360 nan 0.000 0.424 456 L N 2.402 123.714 121.223 0.148 0.000 2.325 456 L HA 0.390 4.065 4.340 -1.107 0.000 0.281 456 L C -1.512 175.462 176.870 0.174 0.000 1.004 456 L CA -0.656 54.280 54.840 0.161 0.000 0.823 456 L CB 1.542 43.716 42.059 0.191 0.000 1.236 456 L HN 0.247 nan 8.230 nan 0.000 0.415 457 V N 5.083 125.053 119.914 0.093 0.000 2.398 457 V HA 0.383 3.839 4.120 -1.107 0.000 0.286 457 V C -0.549 175.612 176.094 0.112 0.000 1.026 457 V CA -0.535 61.809 62.300 0.073 0.000 0.868 457 V CB 1.328 33.148 31.823 -0.005 0.000 0.982 457 V HN 0.820 nan 8.190 nan 0.000 0.443 458 H N 2.724 121.816 119.070 0.036 0.000 2.638 458 H HA 0.454 4.346 4.556 -1.106 0.000 0.317 458 H C -0.597 174.695 175.328 -0.060 0.000 1.006 458 H CA -0.508 55.540 56.048 -0.000 0.000 1.222 458 H CB 1.087 30.925 29.762 0.126 0.000 1.419 458 H HN 0.677 nan 8.280 nan 0.000 0.489 459 T N 6.674 121.282 114.554 0.090 0.000 2.767 459 T HA 0.238 3.924 4.350 -1.107 0.000 0.288 459 T C -0.316 174.210 174.700 -0.290 0.000 0.963 459 T CA -0.757 61.275 62.100 -0.113 0.000 1.019 459 T CB 0.579 69.416 68.868 -0.051 0.000 0.923 459 T HN 0.333 nan 8.240 nan 0.000 0.468 460 L N 2.979 123.981 121.223 -0.369 0.000 2.329 460 L HA 0.538 4.214 4.340 -1.107 0.000 0.279 460 L C 1.174 177.807 176.870 -0.394 0.000 1.014 460 L CA -0.255 54.349 54.840 -0.394 0.000 0.814 460 L CB 1.057 42.908 42.059 -0.347 0.000 1.257 460 L HN 0.826 nan 8.230 nan 0.000 0.424 461 G N 1.763 110.354 108.800 -0.349 0.000 2.568 461 G HA2 -0.057 3.239 3.960 -1.107 0.000 0.212 461 G HA3 -0.057 3.239 3.960 -1.107 0.000 0.212 461 G C -0.109 174.860 174.900 0.115 0.000 1.821 461 G CA 0.089 45.086 45.100 -0.172 0.000 0.904 461 G HN 0.592 nan 8.290 nan 0.000 0.566 462 D N 1.717 122.293 120.400 0.293 0.000 2.393 462 D HA 0.480 4.456 4.640 -1.107 0.000 0.232 462 D C -0.202 176.200 176.300 0.170 0.000 1.192 462 D CA -0.252 53.936 54.000 0.313 0.000 0.882 462 D CB 0.663 41.609 40.800 0.244 0.000 1.038 462 D HN 0.277 nan 8.370 nan 0.000 0.499 463 A N 5.611 128.475 122.820 0.073 0.000 2.249 463 A HA 0.488 4.144 4.320 -1.107 0.000 0.314 463 A C -0.278 177.268 177.584 -0.063 0.000 1.290 463 A CA -0.661 51.324 52.037 -0.086 0.000 0.893 463 A CB 0.427 19.359 19.000 -0.114 0.000 1.165 463 A HN 0.724 nan 8.150 nan 0.000 0.530 464 H N -0.058 118.955 119.070 -0.095 0.000 2.865 464 H HA 0.748 4.635 4.556 -1.116 0.000 0.372 464 H C -1.766 173.455 175.328 -0.178 0.000 1.173 464 H CA -1.226 54.726 56.048 -0.159 0.000 1.147 464 H CB 1.392 31.004 29.762 -0.249 0.000 1.805 464 H HN 0.248 nan 8.280 nan 0.000 0.553 465 V N 2.654 122.540 119.914 -0.047 0.000 2.444 465 V HA 0.134 3.590 4.120 -1.107 0.000 0.294 465 V C -0.595 175.469 176.094 -0.051 0.000 1.022 465 V CA -0.734 61.556 62.300 -0.016 0.000 0.850 465 V CB 0.732 32.564 31.823 0.014 0.000 0.992 465 V HN 0.644 nan 8.190 nan 0.000 0.426 466 Y N 2.428 122.758 120.300 0.049 0.000 2.578 466 Y HA -0.059 3.831 4.550 -1.099 0.000 0.339 466 Y C 2.024 177.864 175.900 -0.100 0.000 1.231 466 Y CA 0.778 58.803 58.100 -0.126 0.000 1.461 466 Y CB 0.837 39.025 38.460 -0.453 0.000 1.323 466 Y HN 0.704 nan 8.280 nan 0.000 0.590 467 S N 1.325 117.061 115.700 0.060 0.000 2.383 467 S HA -0.207 3.599 4.470 -1.107 0.000 0.229 467 S C 1.457 176.091 174.600 0.058 0.000 1.030 467 S CA 1.328 59.547 58.200 0.032 0.000 1.002 467 S CB -0.194 63.004 63.200 -0.003 0.000 0.829 467 S HN 0.687 nan 8.310 nan 0.000 0.467 468 N N 0.656 119.373 118.700 0.029 0.000 2.571 468 N HA -0.021 4.055 4.740 -1.107 0.000 0.189 468 N C 0.735 176.356 175.510 0.186 0.000 1.154 468 N CA 0.641 53.720 53.050 0.047 0.000 0.907 468 N CB -0.159 38.313 38.487 -0.024 0.000 0.977 468 N HN 0.648 nan 8.380 nan 0.000 0.449 469 H N -1.298 117.838 119.070 0.110 0.000 2.705 469 H HA 0.191 4.082 4.556 -1.107 0.000 0.269 469 H C 1.683 177.052 175.328 0.068 0.000 0.998 469 H CA -0.331 55.776 56.048 0.098 0.000 1.193 469 H CB 0.926 30.775 29.762 0.146 0.000 1.485 469 H HN -0.080 nan 8.280 nan 0.000 0.521 470 V N 1.335 121.350 119.914 0.169 0.000 2.231 470 V HA -0.291 3.165 4.120 -1.107 0.000 0.248 470 V C 2.100 178.237 176.094 0.072 0.000 1.054 470 V CA 2.012 64.370 62.300 0.096 0.000 1.015 470 V CB -0.325 31.537 31.823 0.065 0.000 0.638 470 V HN 0.498 nan 8.190 nan 0.000 0.444 471 E N -0.001 120.240 120.200 0.068 0.000 2.038 471 E HA -0.180 3.506 4.350 -1.107 0.000 0.195 471 E C -0.031 176.594 176.600 0.042 0.000 1.000 471 E CA 1.819 58.248 56.400 0.048 0.000 0.803 471 E CB -1.176 28.551 29.700 0.045 0.000 0.750 471 E HN 0.576 nan 8.360 nan 0.000 0.448 472 P HA -0.134 nan 4.420 nan 0.000 0.216 472 P C 1.351 178.666 177.300 0.025 0.000 1.153 472 P CA 1.155 64.274 63.100 0.032 0.000 0.848 472 P CB -0.133 31.582 31.700 0.025 0.000 0.787 473 C N -0.190 119.134 119.300 0.040 0.000 2.413 473 C HA -0.074 3.722 4.460 -1.107 0.000 0.277 473 C C 2.733 177.732 174.990 0.015 0.000 1.265 473 C CA 0.942 59.980 59.018 0.033 0.000 1.752 473 C CB -2.061 25.707 27.740 0.048 0.000 1.998 473 C HN 0.307 nan 8.230 nan 0.000 0.489 474 N N 0.588 119.298 118.700 0.016 0.000 2.223 474 N HA -0.098 3.977 4.740 -1.107 0.000 0.185 474 N C 1.740 177.248 175.510 -0.004 0.000 1.016 474 N CA 1.074 54.126 53.050 0.004 0.000 0.863 474 N CB -0.340 38.153 38.487 0.009 0.000 0.983 474 N HN 0.599 nan 8.380 nan 0.000 0.429 475 E N 0.987 121.187 120.200 0.001 0.000 2.047 475 E HA -0.193 3.493 4.350 -1.107 0.000 0.191 475 E C 1.861 178.445 176.600 -0.027 0.000 0.987 475 E CA 0.650 57.045 56.400 -0.008 0.000 0.799 475 E CB -0.374 29.326 29.700 0.000 0.000 0.752 475 E HN 0.505 nan 8.360 nan 0.000 0.449 476 Q N 0.661 120.450 119.800 -0.019 0.000 2.135 476 Q HA -0.128 3.548 4.340 -1.107 0.000 0.204 476 Q C 2.323 178.294 176.000 -0.049 0.000 0.981 476 Q CA 0.871 56.654 55.803 -0.033 0.000 0.856 476 Q CB -0.109 28.639 28.738 0.017 0.000 0.902 476 Q HN 0.245 nan 8.270 nan 0.000 0.425 477 L N 0.334 121.540 121.223 -0.028 0.000 2.349 477 L HA -0.204 3.472 4.340 -1.107 0.000 0.220 477 L C 2.234 179.074 176.870 -0.049 0.000 1.130 477 L CA 1.076 55.897 54.840 -0.032 0.000 0.791 477 L CB -0.264 41.778 42.059 -0.028 0.000 0.918 477 L HN 0.197 nan 8.230 nan 0.000 0.444 478 K N 0.158 120.522 120.400 -0.059 0.000 2.057 478 K HA -0.073 3.583 4.320 -1.107 0.000 0.206 478 K C 0.686 177.226 176.600 -0.100 0.000 1.050 478 K CA 0.649 56.900 56.287 -0.062 0.000 0.935 478 K CB -0.071 32.398 32.500 -0.051 0.000 0.715 478 K HN 0.274 nan 8.250 nan 0.000 0.439 479 R N 1.501 121.886 120.500 -0.192 0.000 2.585 479 R HA 0.031 3.707 4.340 -1.107 0.000 0.275 479 R C -0.484 175.681 176.300 -0.226 0.000 1.018 479 R CA -0.209 55.669 56.100 -0.370 0.000 1.072 479 R CB 0.444 30.273 30.300 -0.785 0.000 0.953 479 R HN -0.096 nan 8.270 nan 0.000 0.419 480 V N 6.374 126.216 119.914 -0.120 0.000 2.385 480 V HA 0.151 3.607 4.120 -1.107 0.000 0.269 480 V C -1.851 174.294 176.094 0.084 0.000 1.043 480 V CA -2.057 60.247 62.300 0.007 0.000 0.906 480 V CB 1.049 32.910 31.823 0.064 0.000 0.995 480 V HN 0.654 nan 8.190 nan 0.000 0.467 481 P HA 0.129 nan 4.420 nan 0.000 0.265 481 P C -0.151 177.201 177.300 0.085 0.000 1.187 481 P CA 0.234 63.384 63.100 0.083 0.000 0.766 481 P CB 0.571 32.266 31.700 -0.009 0.000 0.820 482 R N 1.429 121.997 120.500 0.113 0.000 2.700 482 R HA 0.701 4.377 4.340 -1.107 0.000 0.253 482 R C 0.009 176.259 176.300 -0.083 0.000 1.091 482 R CA -1.034 55.086 56.100 0.033 0.000 1.104 482 R CB 0.799 31.122 30.300 0.038 0.000 1.202 482 R HN 0.470 nan 8.270 nan 0.000 0.532 483 A N 1.224 124.004 122.820 -0.067 0.000 2.498 483 A HA 0.180 3.835 4.320 -1.107 0.000 0.239 483 A C -0.526 177.058 177.584 -0.001 0.000 1.068 483 A CA 0.060 52.040 52.037 -0.095 0.000 0.766 483 A CB -0.061 18.934 19.000 -0.008 0.000 1.003 483 A HN 0.394 nan 8.150 nan 0.000 0.497 484 F N 2.682 122.607 119.950 -0.043 0.000 2.444 484 F HA 0.338 4.201 4.527 -1.108 0.000 0.331 484 F C -1.080 174.596 175.800 -0.207 0.000 1.167 484 F CA -1.692 56.247 58.000 -0.103 0.000 1.262 484 F CB 0.140 39.035 39.000 -0.176 0.000 1.196 484 F HN 0.425 nan 8.300 nan 0.000 0.583 485 P HA 0.238 nan 4.420 nan 0.000 0.312 485 P C -1.586 175.462 177.300 -0.419 0.000 1.308 485 P CA -0.043 63.021 63.100 -0.060 0.000 0.743 485 P CB 1.028 32.692 31.700 -0.060 0.000 1.364 486 Y N -2.195 118.035 120.300 -0.117 0.000 2.576 486 Y HA 0.558 4.444 4.550 -1.106 0.000 0.346 486 Y C -0.141 175.619 175.900 -0.232 0.000 1.018 486 Y CA -1.004 57.018 58.100 -0.129 0.000 1.050 486 Y CB 1.470 39.903 38.460 -0.046 0.000 1.280 486 Y HN 0.075 nan 8.280 nan 0.000 0.474 487 L N 3.303 124.486 121.223 -0.066 0.000 2.333 487 L HA 0.878 4.554 4.340 -1.107 0.000 0.280 487 L C -1.072 175.746 176.870 -0.086 0.000 1.004 487 L CA -0.767 53.953 54.840 -0.201 0.000 0.820 487 L CB 1.438 43.329 42.059 -0.281 0.000 1.247 487 L HN 0.488 nan 8.230 nan 0.000 0.416 488 V N 1.016 120.842 119.914 -0.147 0.000 2.962 488 V HA 0.637 4.092 4.120 -1.107 0.000 0.313 488 V C -0.951 175.039 176.094 -0.174 0.000 1.099 488 V CA -0.771 61.505 62.300 -0.041 0.000 0.971 488 V CB 1.845 33.676 31.823 0.012 0.000 1.028 488 V HN 0.580 nan 8.190 nan 0.000 0.430 489 F N 2.653 122.635 119.950 0.054 0.000 2.427 489 F HA 0.629 4.491 4.527 -1.108 0.000 0.346 489 F C 1.471 177.314 175.800 0.073 0.000 1.120 489 F CA -0.607 57.444 58.000 0.084 0.000 1.033 489 F CB 2.159 41.222 39.000 0.106 0.000 1.126 489 F HN 0.762 nan 8.300 nan 0.000 0.462 490 R N 2.379 122.992 120.500 0.188 0.000 2.246 490 R HA 0.211 3.887 4.340 -1.107 0.000 0.199 490 R C -0.142 176.244 176.300 0.143 0.000 0.984 490 R CA 0.315 56.492 56.100 0.128 0.000 1.015 490 R CB 0.223 30.568 30.300 0.076 0.000 0.930 490 R HN 0.690 nan 8.270 nan 0.000 0.475 491 R N -0.516 120.112 120.500 0.213 0.000 2.692 491 R HA 0.363 4.038 4.340 -1.107 0.000 0.269 491 R C -1.461 174.959 176.300 0.200 0.000 1.030 491 R CA -1.019 55.172 56.100 0.152 0.000 0.882 491 R CB 1.153 31.503 30.300 0.083 0.000 1.250 491 R HN -0.163 nan 8.270 nan 0.000 0.465 492 E N 1.247 121.493 120.200 0.078 0.000 2.281 492 E HA 0.555 4.241 4.350 -1.107 0.000 0.257 492 E C -0.468 176.003 176.600 -0.215 0.000 0.971 492 E CA -1.067 55.352 56.400 0.032 0.000 0.839 492 E CB 1.417 31.140 29.700 0.039 0.000 1.238 492 E HN 0.423 nan 8.360 nan 0.000 0.412 493 R N 0.414 120.664 120.500 -0.417 0.000 2.888 493 R HA 0.275 3.951 4.340 -1.107 0.000 0.266 493 R C 0.876 177.025 176.300 -0.252 0.000 1.020 493 R CA -0.638 55.191 56.100 -0.451 0.000 0.963 493 R CB 1.148 30.938 30.300 -0.850 0.000 1.197 493 R HN 0.620 nan 8.270 nan 0.000 0.481 494 E N 0.330 120.380 120.200 -0.251 0.000 2.107 494 E HA 0.022 3.708 4.350 -1.107 0.000 0.191 494 E C -0.433 175.775 176.600 -0.654 0.000 0.982 494 E CA 1.123 57.249 56.400 -0.456 0.000 0.809 494 E CB 0.303 29.699 29.700 -0.507 0.000 0.756 494 E HN 0.259 nan 8.360 nan 0.000 0.459 495 F N -0.595 119.344 119.950 -0.018 0.000 2.577 495 F HA 0.232 4.095 4.527 -1.107 0.000 0.318 495 F C 0.828 176.701 175.800 0.123 0.000 1.065 495 F CA -0.820 57.204 58.000 0.041 0.000 0.929 495 F CB 1.101 40.121 39.000 0.033 0.000 1.237 495 F HN -0.187 nan 8.300 nan 0.000 0.468 496 L N 0.791 122.228 121.223 0.358 0.000 2.013 496 L HA -0.216 3.460 4.340 -1.107 0.000 0.212 496 L C 1.688 178.774 176.870 0.360 0.000 1.073 496 L CA 1.890 56.943 54.840 0.354 0.000 0.753 496 L CB -0.079 42.086 42.059 0.177 0.000 0.890 496 L HN 0.730 nan 8.230 nan 0.000 0.432 497 E N -0.112 120.239 120.200 0.251 0.000 2.401 497 E HA -0.197 3.489 4.350 -1.107 0.000 0.199 497 E C 1.331 178.035 176.600 0.172 0.000 1.023 497 E CA 0.886 57.395 56.400 0.180 0.000 0.859 497 E CB -0.142 29.622 29.700 0.106 0.000 0.780 497 E HN 0.498 nan 8.360 nan 0.000 0.523 498 D N -0.928 119.583 120.400 0.185 0.000 2.348 498 D HA -0.038 3.938 4.640 -1.107 0.000 0.211 498 D C -0.250 176.060 176.300 0.016 0.000 0.998 498 D CA 0.187 54.235 54.000 0.080 0.000 0.873 498 D CB -0.029 40.799 40.800 0.047 0.000 0.925 498 D HN 0.211 nan 8.370 nan 0.000 0.524 499 Y N 1.710 122.073 120.300 0.105 0.000 2.597 499 Y HA 0.088 3.974 4.550 -1.106 0.000 0.336 499 Y C 1.123 177.082 175.900 0.099 0.000 1.216 499 Y CA 0.525 58.694 58.100 0.116 0.000 1.463 499 Y CB 0.518 39.065 38.460 0.145 0.000 1.303 499 Y HN -0.216 nan 8.280 nan 0.000 0.576 500 E N 1.146 121.481 120.200 0.224 0.000 2.299 500 E HA 0.089 3.775 4.350 -1.107 0.000 0.265 500 E C 0.581 177.263 176.600 0.137 0.000 0.911 500 E CA -0.806 55.675 56.400 0.136 0.000 0.789 500 E CB 1.502 31.250 29.700 0.079 0.000 1.246 500 E HN 0.632 nan 8.360 nan 0.000 0.427 501 E N 1.664 121.897 120.200 0.054 0.000 2.160 501 E HA -0.154 3.532 4.350 -1.107 0.000 0.195 501 E C 1.439 178.072 176.600 0.056 0.000 0.991 501 E CA 1.421 57.828 56.400 0.012 0.000 0.810 501 E CB -0.138 29.516 29.700 -0.077 0.000 0.742 501 E HN 0.780 nan 8.360 nan 0.000 0.466 502 G N 0.372 109.208 108.800 0.060 0.000 2.776 502 G HA2 -0.153 3.143 3.960 -1.107 0.000 0.209 502 G HA3 -0.153 3.143 3.960 -1.107 0.000 0.209 502 G C 0.887 175.837 174.900 0.083 0.000 1.145 502 G CA 0.326 45.464 45.100 0.063 0.000 0.791 502 G HN 0.182 nan 8.290 nan 0.000 0.530 503 D N 0.228 120.708 120.400 0.133 0.000 2.347 503 D HA 0.082 4.058 4.640 -1.107 0.000 0.213 503 D C 1.464 177.858 176.300 0.158 0.000 0.985 503 D CA 0.448 54.571 54.000 0.204 0.000 0.879 503 D CB 0.160 41.182 40.800 0.369 0.000 0.919 503 D HN 0.527 nan 8.370 nan 0.000 0.526 504 M N -1.388 118.206 119.600 -0.009 0.000 2.593 504 M HA 0.635 4.451 4.480 -1.107 0.000 0.290 504 M C -1.183 175.042 176.300 -0.125 0.000 1.244 504 M CA -0.820 54.309 55.300 -0.285 0.000 0.857 504 M CB 3.420 35.557 32.600 -0.772 0.000 1.738 504 M HN -0.351 nan 8.290 nan 0.000 0.461 505 E N 0.987 121.076 120.200 -0.185 0.000 2.321 505 E HA 0.541 4.227 4.350 -1.107 0.000 0.278 505 E C -1.922 174.542 176.600 -0.227 0.000 0.902 505 E CA -0.805 55.521 56.400 -0.122 0.000 0.758 505 E CB 3.094 32.763 29.700 -0.051 0.000 1.213 505 E HN 0.658 nan 8.360 nan 0.000 0.426 506 V N 5.685 125.409 119.914 -0.316 0.000 2.461 506 V HA 0.307 3.763 4.120 -1.107 0.000 0.275 506 V C 0.409 176.407 176.094 -0.160 0.000 1.047 506 V CA -0.124 61.925 62.300 -0.419 0.000 0.955 506 V CB 0.263 31.655 31.823 -0.719 0.000 0.988 506 V HN 0.496 nan 8.190 nan 0.000 0.471 507 I N 0.654 121.182 120.570 -0.071 0.000 2.797 507 I HA 0.648 4.153 4.170 -1.107 0.000 0.307 507 I C -0.126 176.062 176.117 0.119 0.000 1.033 507 I CA -0.846 60.471 61.300 0.028 0.000 1.071 507 I CB 2.028 40.042 38.000 0.024 0.000 1.255 507 I HN 0.549 nan 8.210 nan 0.000 0.445 508 D N 1.907 122.379 120.400 0.121 0.000 2.708 508 D HA -0.294 3.682 4.640 -1.107 0.000 0.236 508 D C -0.861 175.573 176.300 0.222 0.000 1.146 508 D CA 1.117 55.212 54.000 0.159 0.000 0.662 508 D CB -1.270 39.655 40.800 0.208 0.000 1.059 508 D HN 0.754 nan 8.370 nan 0.000 0.428 509 Y N -0.049 120.264 120.300 0.021 0.000 2.404 509 Y HA 0.402 4.288 4.550 -1.107 0.000 0.344 509 Y C 0.128 176.040 175.900 0.019 0.000 0.970 509 Y CA -0.701 57.404 58.100 0.008 0.000 1.180 509 Y CB 0.778 39.216 38.460 -0.037 0.000 1.138 509 Y HN 0.109 nan 8.280 nan 0.000 0.510 510 A N 9.259 132.033 122.820 -0.076 0.000 3.165 510 A HA 0.384 4.040 4.320 -1.107 0.000 0.331 510 A C -2.776 174.632 177.584 -0.293 0.000 1.034 510 A CA -1.551 50.375 52.037 -0.184 0.000 0.906 510 A CB -0.377 18.582 19.000 -0.067 0.000 1.054 510 A HN 0.566 nan 8.150 nan 0.000 0.484 511 P HA 0.191 nan 4.420 nan 0.000 0.274 511 P C -0.584 176.624 177.300 -0.152 0.000 1.237 511 P CA -0.020 62.896 63.100 -0.306 0.000 0.793 511 P CB 0.689 32.106 31.700 -0.470 0.000 0.977 512 Y N 1.256 121.518 120.300 -0.063 0.000 2.385 512 Y HA 0.142 4.028 4.550 -1.106 0.000 0.346 512 Y C -0.951 174.933 175.900 -0.027 0.000 1.270 512 Y CA -1.086 57.000 58.100 -0.023 0.000 1.472 512 Y CB -0.783 37.681 38.460 0.007 0.000 1.354 512 Y HN 0.365 nan 8.280 nan 0.000 0.611 513 P HA 0.164 nan 4.420 nan 0.000 0.274 513 P C -2.609 174.740 177.300 0.082 0.000 1.256 513 P CA -1.361 61.787 63.100 0.079 0.000 0.795 513 P CB 0.088 31.827 31.700 0.065 0.000 1.038 514 P HA 0.074 nan 4.420 nan 0.000 0.267 514 P C -0.218 177.106 177.300 0.040 0.000 1.201 514 P CA 0.470 63.594 63.100 0.039 0.000 0.775 514 P CB 0.083 31.797 31.700 0.024 0.000 0.854 515 I N 0.597 121.185 120.570 0.030 0.000 2.371 515 I HA 0.082 3.588 4.170 -1.107 0.000 0.290 515 I C 0.781 176.910 176.117 0.020 0.000 1.028 515 I CA -0.628 60.687 61.300 0.024 0.000 1.345 515 I CB 0.406 38.415 38.000 0.016 0.000 1.407 515 I HN 0.346 nan 8.210 nan 0.000 0.501 516 S N 6.826 122.540 115.700 0.022 0.000 2.642 516 S HA 0.211 4.017 4.470 -1.107 0.000 0.308 516 S C -0.145 174.465 174.600 0.017 0.000 1.255 516 S CA -0.569 57.643 58.200 0.020 0.000 1.057 516 S CB 0.520 63.733 63.200 0.021 0.000 0.785 516 S HN 0.729 nan 8.310 nan 0.000 0.500 517 M N 0.621 120.230 119.600 0.015 0.000 7.304 517 M HA -0.080 3.736 4.480 -1.107 0.000 0.156 517 M C -0.632 175.676 176.300 0.014 0.000 0.493 517 M CA 0.903 56.212 55.300 0.015 0.000 1.310 517 M CB -0.471 32.139 32.600 0.016 0.000 0.432 517 M HN 1.062 nan 8.290 nan 0.000 0.198 518 K N 2.227 122.635 120.400 0.013 0.000 2.082 518 K HA 0.845 4.501 4.320 -1.107 0.000 0.242 518 K C 0.690 177.301 176.600 0.018 0.000 1.070 518 K CA 0.070 56.364 56.287 0.013 0.000 0.892 518 K CB 1.131 33.635 32.500 0.007 0.000 1.417 518 K HN 1.338 nan 8.250 nan 0.000 0.541 519 M N -2.142 117.467 119.600 0.016 0.000 2.976 519 M HA -0.202 3.614 4.480 -1.107 0.000 0.201 519 M C -1.217 175.101 176.300 0.030 0.000 0.605 519 M CA 1.571 56.882 55.300 0.018 0.000 0.771 519 M CB -1.379 31.233 32.600 0.019 0.000 2.759 519 M HN 0.469 nan 8.290 nan 0.000 0.288 520 A N 0.000 122.847 122.820 0.045 0.000 2.254 520 A HA 0.000 3.656 4.320 -1.107 0.000 0.244 520 A CA 0.000 52.087 52.037 0.083 0.000 0.836 520 A CB 0.000 19.059 19.000 0.098 0.000 0.831 520 A HN 0.000 nan 8.150 nan 0.000 0.486