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 3cw2_1_F DATA FIRST_RESID 2 DATA SEQUENCE AWPKVQPEVN IGVVGHVDHG KTTLVQAITG IWTSKHSEEL KRGMTIKLGY DATA SEQUENCE AETNIGVcES CKKPEAYVTE PScKSCGSDD EPKFLRRISF IDAPGHEVLM DATA SEQUENCE ATMLSGAALM DGAILVVAAN EPFPQPQTRE HFVALGIIGV KNLIIVQNKV DATA SEQUENCE DVVSKEEALS QYRQIKQFTK GTWAENVPII PVSALHKINI DSLIEGIEEY DATA SEQUENCE IKTPYRDLSQ KPVMLVIRSF DVNKPGTQFN ELKGGVIGGS IIQGLFKVDQ DATA SEQUENCE EIKVLPGLRV EKQGKVSYEP IFTKISSIRF GDEEFKEAKP GGLVAIGTYL DATA SEQUENCE DPSLTKADNL LGSIITLADA EVPVLWNIRI KYNLLERVVG AKEMLKVDPI DATA SEQUENCE RAKETLMLSV GSSTTLGIVT SVKKDEIEVE LRRPVAVWSN NIRTVISRQI DATA SEQUENCE AGRWRMIGWG LVEI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.521 177.584 -0.105 0.000 1.274 2 A CA 0.000 51.901 52.037 -0.227 0.000 0.836 2 A CB 0.000 18.907 19.000 -0.156 0.000 0.831 3 W N 0.662 121.858 121.300 -0.175 0.000 2.359 3 W HA 0.576 5.236 4.660 0.000 0.000 0.344 3 W C -2.181 174.094 176.519 -0.407 0.000 1.170 3 W CA -2.107 55.022 57.345 -0.360 0.000 1.296 3 W CB -0.654 28.430 29.460 -0.627 0.000 1.197 3 W HN 0.474 nan 8.180 nan 0.000 0.618 4 P HA -0.003 nan 4.420 nan 0.000 0.266 4 P C -0.319 176.875 177.300 -0.176 0.000 1.195 4 P CA 0.084 63.075 63.100 -0.183 0.000 0.768 4 P CB 0.556 32.168 31.700 -0.147 0.000 0.838 5 K N 3.228 123.599 120.400 -0.048 0.000 2.231 5 K HA 0.328 4.648 4.320 0.000 0.000 0.275 5 K C -0.374 176.331 176.600 0.174 0.000 1.105 5 K CA -0.508 55.798 56.287 0.032 0.000 0.931 5 K CB -0.096 32.391 32.500 -0.023 0.000 1.296 5 K HN 0.348 nan 8.250 nan 0.000 0.446 6 V N 0.725 120.792 119.914 0.254 0.000 3.158 6 V HA 0.476 4.596 4.120 0.000 0.000 0.315 6 V C -0.484 175.725 176.094 0.192 0.000 1.148 6 V CA -1.197 61.306 62.300 0.339 0.000 1.042 6 V CB 1.500 33.434 31.823 0.184 0.000 1.101 6 V HN 0.757 nan 8.190 nan 0.000 0.448 7 Q N 0.659 120.303 119.800 -0.259 0.000 2.318 7 Q HA 0.586 4.926 4.340 0.000 0.000 0.222 7 Q C -2.617 173.149 176.000 -0.389 0.000 1.003 7 Q CA -1.714 53.656 55.803 -0.720 0.000 0.936 7 Q CB -0.345 27.452 28.738 -1.568 0.000 1.204 7 Q HN 0.561 nan 8.270 nan 0.000 0.524 8 P HA -0.068 nan 4.420 nan 0.000 0.268 8 P C -0.642 176.524 177.300 -0.223 0.000 1.204 8 P CA 0.143 63.130 63.100 -0.189 0.000 0.768 8 P CB 0.468 32.124 31.700 -0.074 0.000 0.842 9 E N 1.663 121.774 120.200 -0.148 0.000 2.498 9 E HA 0.272 4.622 4.350 0.000 0.000 0.203 9 E C -0.186 176.349 176.600 -0.109 0.000 1.013 9 E CA -0.290 56.030 56.400 -0.133 0.000 0.927 9 E CB 0.468 30.104 29.700 -0.107 0.000 1.012 9 E HN 0.177 nan 8.360 nan 0.000 0.482 10 V N 0.837 120.687 119.914 -0.107 0.000 3.108 10 V HA 0.282 4.402 4.120 0.000 0.000 0.287 10 V C -2.236 173.792 176.094 -0.110 0.000 1.436 10 V CA -0.926 61.316 62.300 -0.097 0.000 1.001 10 V CB 2.302 34.068 31.823 -0.096 0.000 1.141 10 V HN 0.225 nan 8.190 nan 0.000 0.443 11 N N 5.211 123.860 118.700 -0.085 0.000 2.421 11 N HA 0.691 5.431 4.740 0.000 0.000 0.285 11 N C -0.884 174.558 175.510 -0.113 0.000 1.027 11 N CA -0.302 52.697 53.050 -0.084 0.000 0.918 11 N CB 1.867 40.342 38.487 -0.021 0.000 1.152 11 N HN 0.637 nan 8.380 nan 0.000 0.485 12 I N 1.088 121.539 120.570 -0.198 0.000 2.405 12 I HA 0.346 4.516 4.170 0.000 0.000 0.280 12 I C 0.572 176.736 176.117 0.077 0.000 1.027 12 I CA -0.817 60.420 61.300 -0.106 0.000 1.161 12 I CB 1.247 39.109 38.000 -0.231 0.000 1.300 12 I HN 0.532 nan 8.210 nan 0.000 0.463 13 G N 6.091 114.944 108.800 0.088 0.000 2.358 13 G HA2 0.412 4.372 3.960 0.000 0.000 0.273 13 G HA3 0.412 4.372 3.960 0.000 0.000 0.273 13 G C -0.040 174.947 174.900 0.145 0.000 1.215 13 G CA -0.248 44.922 45.100 0.118 0.000 0.910 13 G HN 0.461 nan 8.290 nan 0.000 0.467 14 V N 1.885 121.888 119.914 0.148 0.000 2.350 14 V HA 0.738 4.858 4.120 0.000 0.000 0.276 14 V C 0.294 176.407 176.094 0.032 0.000 1.028 14 V CA -0.866 61.487 62.300 0.087 0.000 0.860 14 V CB 0.371 32.218 31.823 0.041 0.000 0.990 14 V HN 0.826 nan 8.190 nan 0.000 0.453 15 V N 1.650 121.579 119.914 0.024 0.000 3.141 15 V HA 1.167 5.287 4.120 0.000 0.000 0.312 15 V C 0.340 176.314 176.094 -0.200 0.000 1.157 15 V CA 0.093 62.371 62.300 -0.037 0.000 1.041 15 V CB 1.278 33.250 31.823 0.248 0.000 1.071 15 V HN 1.798 nan 8.190 nan 0.000 0.441 16 G N 0.474 108.934 108.800 -0.565 0.000 2.332 16 G HA2 0.284 4.244 3.960 0.000 0.000 0.265 16 G HA3 0.284 4.244 3.960 0.000 0.000 0.265 16 G C -0.660 173.931 174.900 -0.515 0.000 1.329 16 G CA -0.043 44.793 45.100 -0.439 0.000 0.949 16 G HN 2.109 nan 8.290 nan 0.000 0.476 17 H N -0.734 118.222 119.070 -0.190 0.000 2.654 17 H HA 0.622 5.178 4.556 -0.000 0.000 0.376 17 H C 1.705 176.969 175.328 -0.107 0.000 1.503 17 H CA 0.191 56.167 56.048 -0.121 0.000 1.464 17 H CB 0.095 29.818 29.762 -0.065 0.000 1.565 17 H HN 0.399 nan 8.280 nan 0.000 0.614 18 V N -0.831 119.158 119.914 0.125 0.000 2.238 18 V HA -0.134 3.986 4.120 0.000 0.000 0.235 18 V C 1.059 177.213 176.094 0.100 0.000 1.037 18 V CA 1.748 64.091 62.300 0.071 0.000 0.991 18 V CB -1.054 30.828 31.823 0.098 0.000 0.638 18 V HN 1.109 nan 8.190 nan 0.000 0.457 19 D N -1.292 119.246 120.400 0.230 0.000 3.605 19 D HA -0.260 4.380 4.640 0.000 0.000 0.258 19 D C 0.811 177.201 176.300 0.150 0.000 1.916 19 D CA 1.609 55.738 54.000 0.215 0.000 1.155 19 D CB -0.873 40.094 40.800 0.279 0.000 0.854 19 D HN 0.762 nan 8.370 nan 0.000 1.047 20 H N -1.996 117.119 119.070 0.074 0.000 3.400 20 H HA 0.348 4.904 4.556 0.000 0.000 0.251 20 H C 1.496 176.842 175.328 0.030 0.000 1.040 20 H CA 0.749 56.828 56.048 0.053 0.000 1.175 20 H CB -0.118 29.695 29.762 0.086 0.000 1.487 20 H HN 0.339 nan 8.280 nan 0.000 0.505 21 G N 2.976 111.383 108.800 -0.655 0.000 2.848 21 G HA2 -0.123 3.837 3.960 0.000 0.000 0.208 21 G HA3 -0.123 3.837 3.960 0.000 0.000 0.208 21 G C 1.697 176.445 174.900 -0.253 0.000 1.152 21 G CA 0.289 45.124 45.100 -0.442 0.000 0.789 21 G HN 0.390 nan 8.290 nan 0.000 0.531 22 K N 0.465 120.724 120.400 -0.234 0.000 2.097 22 K HA -0.068 4.252 4.320 0.000 0.000 0.206 22 K C 1.484 177.950 176.600 -0.222 0.000 1.049 22 K CA 1.712 57.860 56.287 -0.232 0.000 0.933 22 K CB -1.049 31.323 32.500 -0.213 0.000 0.717 22 K HN 0.111 nan 8.250 nan 0.000 0.442 23 T N 0.778 115.182 114.554 -0.251 0.000 3.037 23 T HA 0.058 4.408 4.350 0.000 0.000 0.251 23 T C 1.601 176.083 174.700 -0.364 0.000 1.079 23 T CA 0.857 62.737 62.100 -0.366 0.000 1.067 23 T CB 0.100 68.638 68.868 -0.549 0.000 0.948 23 T HN 0.345 nan 8.240 nan 0.000 0.496 24 T N 2.743 117.188 114.554 -0.182 0.000 2.770 24 T HA 0.014 4.364 4.350 0.000 0.000 0.263 24 T C 1.807 176.492 174.700 -0.025 0.000 1.039 24 T CA 0.617 62.730 62.100 0.023 0.000 1.142 24 T CB -0.372 68.551 68.868 0.092 0.000 0.868 24 T HN 0.101 nan 8.240 nan 0.000 0.435 25 L N 1.644 122.803 121.223 -0.108 0.000 2.191 25 L HA -0.019 4.321 4.340 0.000 0.000 0.212 25 L C 2.275 179.031 176.870 -0.190 0.000 1.103 25 L CA 1.175 55.941 54.840 -0.122 0.000 0.769 25 L CB -0.714 41.261 42.059 -0.141 0.000 0.908 25 L HN 0.074 nan 8.230 nan 0.000 0.438 26 V N -0.565 119.207 119.914 -0.237 0.000 2.261 26 V HA -0.337 3.783 4.120 0.000 0.000 0.246 26 V C 2.513 178.493 176.094 -0.189 0.000 1.047 26 V CA 2.107 64.212 62.300 -0.325 0.000 1.015 26 V CB -0.696 30.956 31.823 -0.285 0.000 0.642 26 V HN 0.616 nan 8.190 nan 0.000 0.446 27 Q N -0.047 119.726 119.800 -0.045 0.000 2.224 27 Q HA -0.139 4.201 4.340 0.000 0.000 0.203 27 Q C 1.990 178.023 176.000 0.054 0.000 0.970 27 Q CA 1.491 57.351 55.803 0.096 0.000 0.865 27 Q CB -0.205 28.760 28.738 0.378 0.000 0.922 27 Q HN 0.645 nan 8.270 nan 0.000 0.445 28 A N -0.252 122.578 122.820 0.016 0.000 2.239 28 A HA 0.033 4.353 4.320 0.000 0.000 0.209 28 A C 1.367 178.941 177.584 -0.017 0.000 1.171 28 A CA 0.568 52.611 52.037 0.011 0.000 0.768 28 A CB -0.067 18.937 19.000 0.006 0.000 0.790 28 A HN 0.461 nan 8.150 nan 0.000 0.478 29 I N -2.425 118.111 120.570 -0.057 0.000 3.746 29 I HA -0.035 4.135 4.170 0.000 0.000 0.262 29 I C 2.498 178.625 176.117 0.015 0.000 1.153 29 I CA 1.063 62.335 61.300 -0.046 0.000 1.395 29 I CB -0.296 37.603 38.000 -0.168 0.000 1.589 29 I HN 0.294 nan 8.210 nan 0.000 0.441 30 T N -1.246 113.301 114.554 -0.011 0.000 2.851 30 T HA 0.147 4.498 4.350 0.000 0.000 0.262 30 T C 1.687 176.427 174.700 0.067 0.000 1.043 30 T CA 1.258 63.397 62.100 0.066 0.000 1.140 30 T CB 0.067 68.975 68.868 0.067 0.000 0.872 30 T HN 0.580 nan 8.240 nan 0.000 0.446 31 G N 1.973 110.807 108.800 0.057 0.000 2.218 31 G HA2 -0.144 3.816 3.960 0.000 0.000 0.216 31 G HA3 -0.144 3.816 3.960 0.000 0.000 0.216 31 G C 0.112 175.071 174.900 0.098 0.000 0.994 31 G CA -0.118 45.026 45.100 0.074 0.000 0.637 31 G HN 1.072 nan 8.290 nan 0.000 0.505 32 I N -3.117 117.513 120.570 0.100 0.000 2.412 32 I HA 0.746 4.916 4.170 0.000 0.000 0.296 32 I C -0.092 176.140 176.117 0.191 0.000 0.987 32 I CA -1.648 59.731 61.300 0.132 0.000 1.180 32 I CB 1.182 39.236 38.000 0.090 0.000 1.340 32 I HN -0.023 nan 8.210 nan 0.000 0.455 33 W N 6.091 127.395 121.300 0.007 0.000 2.358 33 W HA 0.363 5.024 4.660 0.000 0.000 0.307 33 W C 0.614 177.141 176.519 0.014 0.000 1.203 33 W CA -0.445 56.904 57.345 0.006 0.000 1.279 33 W CB 1.452 30.920 29.460 0.013 0.000 1.264 33 W HN 0.642 nan 8.180 nan 0.000 0.474 34 T N 1.276 115.735 114.554 -0.158 0.000 3.843 34 T HA 0.203 4.553 4.350 0.000 0.000 0.227 34 T C 0.572 175.131 174.700 -0.235 0.000 1.043 34 T CA 0.087 62.109 62.100 -0.130 0.000 1.012 34 T CB 0.218 69.016 68.868 -0.116 0.000 1.279 34 T HN 0.363 nan 8.240 nan 0.000 0.730 35 S N -0.468 115.137 115.700 -0.158 0.000 2.506 35 S HA 0.181 4.651 4.470 0.000 0.000 0.255 35 S C 0.745 175.441 174.600 0.159 0.000 0.976 35 S CA -0.475 57.634 58.200 -0.151 0.000 1.493 35 S CB 0.166 62.989 63.200 -0.627 0.000 1.241 35 S HN 0.498 nan 8.310 nan 0.000 0.655 36 K N 0.662 121.259 120.400 0.328 0.000 3.029 36 K HA 0.298 4.618 4.320 0.000 0.000 0.347 36 K C 0.980 177.628 176.600 0.081 0.000 0.994 36 K CA -0.055 56.401 56.287 0.282 0.000 1.278 36 K CB -0.243 32.465 32.500 0.347 0.000 1.270 36 K HN 0.293 nan 8.250 nan 0.000 0.550 37 H N 0.466 119.606 119.070 0.117 0.000 2.524 37 H HA -0.022 4.534 4.556 0.000 0.000 0.282 37 H C 1.305 176.671 175.328 0.063 0.000 1.016 37 H CA 0.577 56.669 56.048 0.074 0.000 1.270 37 H CB 0.372 30.164 29.762 0.051 0.000 1.394 37 H HN 0.459 nan 8.280 nan 0.000 0.568 38 S N -0.195 115.615 115.700 0.182 0.000 3.687 38 S HA -0.305 4.165 4.470 0.000 0.000 0.619 38 S C 1.384 176.050 174.600 0.109 0.000 2.483 38 S CA 1.938 60.216 58.200 0.130 0.000 4.088 38 S CB -0.594 62.662 63.200 0.095 0.000 0.326 38 S HN 0.799 nan 8.310 nan 0.000 0.982 39 E N 0.860 121.097 120.200 0.061 0.000 3.686 39 E HA 0.544 4.894 4.350 0.000 0.000 0.357 39 E C -0.564 176.033 176.600 -0.004 0.000 0.562 39 E CA -0.737 55.677 56.400 0.024 0.000 2.008 39 E CB 0.134 29.838 29.700 0.007 0.000 2.161 39 E HN 0.642 nan 8.360 nan 0.000 0.464 40 E N 0.509 120.675 120.200 -0.056 0.000 2.279 40 E HA 0.352 4.702 4.350 0.000 0.000 0.252 40 E C -1.053 175.424 176.600 -0.206 0.000 0.894 40 E CA -0.301 56.045 56.400 -0.090 0.000 0.785 40 E CB 1.481 31.137 29.700 -0.073 0.000 1.237 40 E HN 0.361 nan 8.360 nan 0.000 0.418 41 L N 3.081 124.163 121.223 -0.236 0.000 3.550 41 L HA -0.274 4.066 4.340 0.000 0.000 0.523 41 L C 0.910 177.235 176.870 -0.909 0.000 1.312 41 L CA 0.381 54.893 54.840 -0.546 0.000 0.864 41 L CB -0.824 40.854 42.059 -0.635 0.000 1.592 41 L HN 0.476 nan 8.230 nan 0.000 0.859 42 K N 0.819 121.000 120.400 -0.365 0.000 2.474 42 K HA 0.134 4.454 4.320 0.000 0.000 0.204 42 K C 0.788 177.437 176.600 0.081 0.000 1.220 42 K CA 0.295 56.478 56.287 -0.175 0.000 0.966 42 K CB 0.451 32.916 32.500 -0.059 0.000 1.049 42 K HN 0.496 nan 8.250 nan 0.000 0.554 43 R N -0.206 120.358 120.500 0.108 0.000 2.560 43 R HA 0.566 4.906 4.340 0.000 0.000 0.270 43 R C 0.467 176.897 176.300 0.217 0.000 1.074 43 R CA -0.256 55.930 56.100 0.143 0.000 1.140 43 R CB 0.446 30.801 30.300 0.092 0.000 1.073 43 R HN 0.045 nan 8.270 nan 0.000 0.527 44 G N 1.055 109.925 108.800 0.116 0.000 2.451 44 G HA2 0.361 4.321 3.960 0.000 0.000 0.303 44 G HA3 0.361 4.321 3.960 0.000 0.000 0.303 44 G C 0.562 175.478 174.900 0.028 0.000 1.166 44 G CA -0.725 44.407 45.100 0.053 0.000 0.884 44 G HN 0.865 nan 8.290 nan 0.000 0.514 45 M N 0.945 120.536 119.600 -0.016 0.000 2.446 45 M HA -0.028 4.452 4.480 0.000 0.000 0.263 45 M C 2.088 178.376 176.300 -0.020 0.000 1.066 45 M CA 2.254 57.543 55.300 -0.017 0.000 1.087 45 M CB -1.366 31.206 32.600 -0.047 0.000 1.406 45 M HN 0.500 nan 8.290 nan 0.000 0.459 46 T N -0.374 114.164 114.554 -0.028 0.000 2.545 46 T HA -0.129 4.221 4.350 0.000 0.000 0.261 46 T C 1.544 176.232 174.700 -0.021 0.000 1.097 46 T CA 1.720 63.800 62.100 -0.034 0.000 1.189 46 T CB -0.356 68.487 68.868 -0.042 0.000 0.863 46 T HN 0.610 nan 8.240 nan 0.000 0.405 47 I N -0.066 120.497 120.570 -0.012 0.000 3.100 47 I HA 0.215 4.385 4.170 0.000 0.000 0.316 47 I C -1.267 174.852 176.117 0.002 0.000 1.466 47 I CA -0.604 60.693 61.300 -0.005 0.000 0.836 47 I CB 0.047 38.039 38.000 -0.013 0.000 1.864 47 I HN 0.323 nan 8.210 nan 0.000 0.689 48 K N 2.033 122.442 120.400 0.016 0.000 4.278 48 K HA -0.119 4.201 4.320 0.000 0.000 0.306 48 K C -0.217 176.396 176.600 0.023 0.000 1.041 48 K CA 0.132 56.436 56.287 0.029 0.000 0.957 48 K CB -0.949 31.566 32.500 0.025 0.000 1.522 48 K HN 0.330 nan 8.250 nan 0.000 0.437 49 L N 1.406 122.647 121.223 0.029 0.000 2.525 49 L HA 0.169 4.509 4.340 0.000 0.000 0.278 49 L C 0.708 177.613 176.870 0.058 0.000 1.218 49 L CA 1.166 56.025 54.840 0.031 0.000 0.878 49 L CB 0.404 42.480 42.059 0.028 0.000 1.127 49 L HN 0.583 nan 8.230 nan 0.000 0.492 50 G N 4.833 113.663 108.800 0.050 0.000 2.332 50 G HA2 0.347 4.307 3.960 0.000 0.000 0.310 50 G HA3 0.347 4.307 3.960 0.000 0.000 0.310 50 G C -1.645 173.355 174.900 0.166 0.000 1.123 50 G CA -0.274 44.867 45.100 0.068 0.000 0.873 50 G HN 0.691 nan 8.290 nan 0.000 0.460 51 Y N 2.468 122.795 120.300 0.044 0.000 2.333 51 Y HA 0.635 5.185 4.550 -0.000 0.000 0.324 51 Y C -0.332 175.632 175.900 0.107 0.000 1.033 51 Y CA -1.311 56.835 58.100 0.076 0.000 1.224 51 Y CB 1.173 39.670 38.460 0.061 0.000 1.120 51 Y HN 0.775 nan 8.280 nan 0.000 0.457 52 A N 5.484 128.153 122.820 -0.252 0.000 2.340 52 A HA 0.793 5.113 4.320 0.000 0.000 0.331 52 A C -1.129 176.305 177.584 -0.249 0.000 1.140 52 A CA -0.662 51.254 52.037 -0.202 0.000 0.801 52 A CB 0.931 19.940 19.000 0.016 0.000 1.234 52 A HN 0.780 nan 8.150 nan 0.000 0.469 53 E N 0.455 120.551 120.200 -0.174 0.000 2.290 53 E HA 0.632 4.982 4.350 0.000 0.000 0.274 53 E C -1.115 175.525 176.600 0.067 0.000 0.889 53 E CA -0.628 55.728 56.400 -0.073 0.000 0.760 53 E CB 1.994 31.604 29.700 -0.151 0.000 1.206 53 E HN 0.434 nan 8.360 nan 0.000 0.419 54 T N 1.731 116.367 114.554 0.137 0.000 2.896 54 T HA 0.355 4.705 4.350 0.000 0.000 0.297 54 T C -0.925 173.895 174.700 0.199 0.000 1.108 54 T CA -0.792 61.413 62.100 0.174 0.000 1.004 54 T CB 1.165 70.152 68.868 0.199 0.000 1.159 54 T HN 0.511 nan 8.240 nan 0.000 0.499 55 N N 2.116 120.974 118.700 0.263 0.000 2.467 55 N HA 0.495 5.235 4.740 0.000 0.000 0.262 55 N C -0.633 175.066 175.510 0.317 0.000 1.234 55 N CA -0.135 53.139 53.050 0.374 0.000 0.952 55 N CB 0.752 39.595 38.487 0.593 0.000 1.158 55 N HN 0.553 nan 8.380 nan 0.000 0.463 56 I N 0.033 120.730 120.570 0.211 0.000 2.548 56 I HA 0.393 4.563 4.170 0.000 0.000 0.287 56 I C 0.221 176.261 176.117 -0.129 0.000 1.103 56 I CA -0.643 60.724 61.300 0.112 0.000 1.049 56 I CB 2.098 40.139 38.000 0.067 0.000 1.232 56 I HN 0.469 nan 8.210 nan 0.000 0.429 57 G N 4.610 113.404 108.800 -0.009 0.000 2.818 57 G HA2 0.802 4.762 3.960 0.000 0.000 0.286 57 G HA3 0.802 4.762 3.960 0.000 0.000 0.286 57 G C -1.646 173.174 174.900 -0.133 0.000 1.364 57 G CA -0.583 44.376 45.100 -0.235 0.000 0.938 57 G HN 0.272 nan 8.290 nan 0.000 0.490 58 V N -0.469 119.333 119.914 -0.188 0.000 2.623 58 V HA 0.304 4.424 4.120 0.000 0.000 0.304 58 V C -0.497 175.540 176.094 -0.095 0.000 1.054 58 V CA -0.810 61.313 62.300 -0.296 0.000 0.882 58 V CB 1.506 33.017 31.823 -0.520 0.000 1.002 58 V HN 0.907 nan 8.190 nan 0.000 0.424 59 c N 3.656 122.228 118.600 -0.047 0.000 2.394 59 c HA 0.242 4.812 4.570 0.000 0.000 0.362 59 c C 1.701 175.783 174.090 -0.014 0.000 1.268 59 c CA -0.388 55.950 56.329 0.014 0.000 1.828 59 c CB -0.240 42.297 42.510 0.044 0.000 2.442 59 c HN 0.962 nan 8.230 nan 0.000 0.549 60 E N 1.185 121.384 120.200 -0.001 0.000 2.511 60 E HA -0.066 4.284 4.350 0.000 0.000 0.196 60 E C 1.398 178.002 176.600 0.008 0.000 1.066 60 E CA 0.359 56.755 56.400 -0.006 0.000 0.871 60 E CB 0.240 29.940 29.700 -0.001 0.000 0.863 60 E HN 0.680 nan 8.360 nan 0.000 0.520 61 S N 0.366 116.076 115.700 0.016 0.000 2.355 61 S HA -0.020 4.450 4.470 0.000 0.000 0.216 61 S C 1.225 175.838 174.600 0.022 0.000 1.037 61 S CA 0.041 58.253 58.200 0.020 0.000 0.955 61 S CB 0.062 63.276 63.200 0.024 0.000 0.877 61 S HN 0.283 nan 8.310 nan 0.000 0.488 62 C N 2.793 122.110 119.300 0.028 0.000 2.705 62 C HA 0.279 4.739 4.460 0.000 0.000 0.382 62 C C 1.760 176.773 174.990 0.038 0.000 1.322 62 C CA -0.375 58.665 59.018 0.037 0.000 2.290 62 C CB 0.056 27.826 27.740 0.050 0.000 2.650 62 C HN 0.456 nan 8.230 nan 0.000 0.695 63 K N 0.449 120.877 120.400 0.047 0.000 2.353 63 K HA 0.167 4.487 4.320 0.000 0.000 0.206 63 K C 0.733 177.378 176.600 0.076 0.000 1.191 63 K CA 0.266 56.584 56.287 0.051 0.000 0.897 63 K CB -0.384 32.139 32.500 0.039 0.000 1.283 63 K HN 0.562 nan 8.250 nan 0.000 0.477 64 K N 1.335 121.778 120.400 0.072 0.000 2.159 64 K HA 0.007 4.327 4.320 0.000 0.000 0.242 64 K C -1.769 174.908 176.600 0.127 0.000 1.043 64 K CA -1.146 55.188 56.287 0.078 0.000 0.856 64 K CB 0.005 32.537 32.500 0.055 0.000 1.072 64 K HN -0.248 nan 8.250 nan 0.000 0.514 65 P HA -0.146 nan 4.420 nan 0.000 0.226 65 P C -0.167 177.236 177.300 0.171 0.000 1.146 65 P CA 1.264 64.430 63.100 0.109 0.000 0.773 65 P CB 0.089 31.785 31.700 -0.006 0.000 0.772 66 E N -0.585 119.693 120.200 0.130 0.000 2.472 66 E HA -0.045 4.305 4.350 0.000 0.000 0.200 66 E C 1.887 178.575 176.600 0.146 0.000 1.046 66 E CA 0.610 57.082 56.400 0.119 0.000 0.871 66 E CB -0.342 29.405 29.700 0.078 0.000 0.806 66 E HN 0.251 nan 8.360 nan 0.000 0.533 67 A N 0.813 123.741 122.820 0.180 0.000 1.968 67 A HA -0.081 4.239 4.320 0.000 0.000 0.217 67 A C 0.475 178.125 177.584 0.109 0.000 1.169 67 A CA 0.586 52.693 52.037 0.118 0.000 0.638 67 A CB -0.314 18.725 19.000 0.065 0.000 0.812 67 A HN 0.129 nan 8.150 nan 0.000 0.446 68 Y N -0.379 119.957 120.300 0.060 0.000 2.480 68 Y HA 0.354 4.904 4.550 0.000 0.000 0.338 68 Y C 0.599 176.558 175.900 0.098 0.000 1.220 68 Y CA 0.203 58.345 58.100 0.071 0.000 1.430 68 Y CB 0.647 39.139 38.460 0.052 0.000 1.311 68 Y HN 0.236 nan 8.280 nan 0.000 0.575 69 V N -1.479 118.593 119.914 0.264 0.000 3.181 69 V HA 0.606 4.726 4.120 0.000 0.000 0.308 69 V C 0.091 176.349 176.094 0.274 0.000 1.214 69 V CA -0.344 62.101 62.300 0.241 0.000 1.053 69 V CB 1.603 33.562 31.823 0.227 0.000 1.069 69 V HN 0.753 nan 8.190 nan 0.000 0.441 70 T N -3.066 111.628 114.554 0.233 0.000 2.975 70 T HA 0.373 4.723 4.350 0.000 0.000 0.257 70 T C 0.289 175.131 174.700 0.238 0.000 1.003 70 T CA 0.209 62.454 62.100 0.242 0.000 0.932 70 T CB 0.090 69.063 68.868 0.174 0.000 1.087 70 T HN 0.686 nan 8.240 nan 0.000 0.512 71 E N 2.321 122.621 120.200 0.167 0.000 2.277 71 E HA 0.398 4.748 4.350 0.000 0.000 0.274 71 E C -2.309 174.208 176.600 -0.138 0.000 1.022 71 E CA -2.617 53.806 56.400 0.039 0.000 0.853 71 E CB 1.534 31.229 29.700 -0.009 0.000 1.086 71 E HN 0.005 nan 8.360 nan 0.000 0.397 72 P HA 0.035 nan 4.420 nan 0.000 0.259 72 P C -0.853 175.776 177.300 -1.118 0.000 1.307 72 P CA 0.483 62.667 63.100 -1.525 0.000 0.768 72 P CB 0.380 31.500 31.700 -0.966 0.000 1.199 73 S N -2.364 113.045 115.700 -0.484 0.000 2.565 73 S HA 0.242 4.712 4.470 0.000 0.000 0.269 73 S C 0.485 175.047 174.600 -0.065 0.000 1.153 73 S CA -0.492 57.565 58.200 -0.238 0.000 0.835 73 S CB 0.341 63.418 63.200 -0.205 0.000 1.122 73 S HN -0.073 nan 8.310 nan 0.000 0.462 74 c N 3.468 122.060 118.600 -0.013 0.000 2.576 74 c HA 0.169 4.739 4.570 0.000 0.000 0.267 74 c C 2.255 176.349 174.090 0.007 0.000 1.364 74 c CA -0.234 56.110 56.329 0.024 0.000 1.723 74 c CB -1.268 41.264 42.510 0.037 0.000 1.778 74 c HN 0.686 nan 8.230 nan 0.000 0.572 75 K N 0.945 121.335 120.400 -0.017 0.000 2.020 75 K HA -0.116 4.204 4.320 0.000 0.000 0.212 75 K C 1.473 178.071 176.600 -0.003 0.000 1.050 75 K CA 1.097 57.374 56.287 -0.016 0.000 0.929 75 K CB -0.810 31.671 32.500 -0.033 0.000 0.714 75 K HN 0.398 nan 8.250 nan 0.000 0.443 76 S N 0.572 116.272 115.700 0.000 0.000 4.120 76 S HA 0.209 4.679 4.470 0.000 0.000 0.196 76 S C -0.194 174.423 174.600 0.029 0.000 1.447 76 S CA -0.529 57.678 58.200 0.013 0.000 0.939 76 S CB -0.932 62.276 63.200 0.013 0.000 1.496 76 S HN 0.357 nan 8.310 nan 0.000 0.460 77 C N 1.145 120.462 119.300 0.029 0.000 3.158 77 C HA 0.609 5.069 4.460 0.000 0.000 0.354 77 C C 1.139 176.148 174.990 0.032 0.000 2.958 77 C CA 0.022 59.063 59.018 0.039 0.000 1.154 77 C CB 0.251 28.022 27.740 0.052 0.000 3.290 77 C HN 0.521 nan 8.230 nan 0.000 0.400 78 G N 1.251 110.072 108.800 0.035 0.000 3.814 78 G HA2 0.521 4.481 3.960 0.000 0.000 0.293 78 G HA3 0.521 4.481 3.960 0.000 0.000 0.293 78 G C -0.036 174.880 174.900 0.026 0.000 1.243 78 G CA 1.073 46.191 45.100 0.029 0.000 1.053 78 G HN 1.009 nan 8.290 nan 0.000 0.562 79 S N -0.462 115.252 115.700 0.023 0.000 2.714 79 S HA 0.469 4.939 4.470 0.000 0.000 0.280 79 S C -1.618 172.990 174.600 0.013 0.000 1.200 79 S CA 0.083 58.294 58.200 0.020 0.000 0.900 79 S CB 1.269 64.485 63.200 0.025 0.000 1.235 79 S HN 0.246 nan 8.310 nan 0.000 0.512 80 D N 0.108 120.513 120.400 0.010 0.000 2.881 80 D HA 0.257 4.897 4.640 0.000 0.000 0.325 80 D C -0.511 175.788 176.300 -0.002 0.000 1.621 80 D CA -0.261 53.739 54.000 0.001 0.000 0.785 80 D CB -0.446 40.353 40.800 -0.003 0.000 1.233 80 D HN 0.271 nan 8.370 nan 0.000 0.447 81 D N 0.795 121.200 120.400 0.008 0.000 2.390 81 D HA 0.393 5.033 4.640 0.000 0.000 0.279 81 D C -0.027 176.277 176.300 0.007 0.000 1.193 81 D CA -0.260 53.747 54.000 0.011 0.000 1.112 81 D CB 0.527 41.342 40.800 0.026 0.000 1.182 81 D HN 0.076 nan 8.370 nan 0.000 0.569 82 E N 0.014 120.235 120.200 0.035 0.000 2.287 82 E HA 0.350 4.700 4.350 0.000 0.000 0.274 82 E C -2.418 174.282 176.600 0.167 0.000 0.896 82 E CA -1.374 55.059 56.400 0.055 0.000 0.788 82 E CB 2.614 32.322 29.700 0.012 0.000 1.244 82 E HN 0.076 nan 8.360 nan 0.000 0.408 83 P HA 0.118 nan 4.420 nan 0.000 0.293 83 P C -0.815 176.728 177.300 0.405 0.000 1.298 83 P CA -0.502 62.803 63.100 0.342 0.000 0.757 83 P CB 0.630 32.606 31.700 0.461 0.000 1.262 84 K N -0.167 120.330 120.400 0.162 0.000 2.164 84 K HA 0.348 4.668 4.320 0.000 0.000 0.258 84 K C -1.063 175.338 176.600 -0.331 0.000 0.951 84 K CA -0.667 55.621 56.287 0.001 0.000 0.844 84 K CB 0.488 32.962 32.500 -0.043 0.000 1.099 84 K HN 0.309 nan 8.250 nan 0.000 0.435 85 F N 5.671 125.197 119.950 -0.706 0.000 2.456 85 F HA 0.061 4.588 4.527 0.000 0.000 0.358 85 F C 0.374 175.849 175.800 -0.542 0.000 1.095 85 F CA -0.569 56.798 58.000 -1.055 0.000 1.216 85 F CB 0.606 39.057 39.000 -0.914 0.000 1.125 85 F HN 0.476 nan 8.300 nan 0.000 0.549 86 L N 4.992 125.521 121.223 -1.157 0.000 2.471 86 L HA 0.334 4.674 4.340 0.000 0.000 0.186 86 L C 0.449 176.711 176.870 -1.014 0.000 1.191 86 L CA 0.839 55.198 54.840 -0.802 0.000 0.835 86 L CB -0.310 41.461 42.059 -0.479 0.000 1.092 86 L HN 0.727 nan 8.230 nan 0.000 0.495 87 R N -0.709 119.151 120.500 -1.067 0.000 2.764 87 R HA 0.426 4.766 4.340 0.000 0.000 0.276 87 R C -0.996 175.090 176.300 -0.357 0.000 1.021 87 R CA -0.853 54.828 56.100 -0.699 0.000 0.870 87 R CB 1.737 31.839 30.300 -0.330 0.000 1.293 87 R HN -0.029 nan 8.270 nan 0.000 0.469 88 R N 1.764 122.209 120.500 -0.092 0.000 2.476 88 R HA 0.408 4.748 4.340 0.000 0.000 0.305 88 R C -0.301 175.968 176.300 -0.051 0.000 0.965 88 R CA -0.827 55.291 56.100 0.030 0.000 0.867 88 R CB 1.245 31.634 30.300 0.149 0.000 1.176 88 R HN 0.638 nan 8.270 nan 0.000 0.447 89 I N 0.708 121.232 120.570 -0.076 0.000 2.947 89 I HA 0.625 4.795 4.170 0.000 0.000 0.314 89 I C -0.508 175.447 176.117 -0.271 0.000 1.028 89 I CA -0.491 60.691 61.300 -0.198 0.000 1.077 89 I CB 1.796 39.627 38.000 -0.281 0.000 1.274 89 I HN 0.731 nan 8.210 nan 0.000 0.485 90 S N 1.886 117.345 115.700 -0.402 0.000 2.709 90 S HA 0.852 5.322 4.470 0.000 0.000 0.302 90 S C -1.096 173.104 174.600 -0.667 0.000 1.127 90 S CA -0.563 57.433 58.200 -0.341 0.000 0.905 90 S CB 1.864 65.118 63.200 0.091 0.000 1.151 90 S HN 0.564 nan 8.310 nan 0.000 0.510 91 F N 0.101 120.061 119.950 0.017 0.000 2.578 91 F HA 0.624 5.151 4.527 -0.000 0.000 0.311 91 F C -0.502 175.372 175.800 0.124 0.000 1.094 91 F CA -1.070 56.957 58.000 0.045 0.000 0.923 91 F CB 2.121 41.113 39.000 -0.014 0.000 1.230 91 F HN 0.704 nan 8.300 nan 0.000 0.450 92 I N 1.247 121.985 120.570 0.280 0.000 2.468 92 I HA 0.682 4.852 4.170 0.000 0.000 0.285 92 I C -1.866 174.326 176.117 0.124 0.000 1.039 92 I CA -0.604 60.816 61.300 0.200 0.000 1.074 92 I CB 1.955 40.039 38.000 0.141 0.000 1.228 92 I HN 0.532 nan 8.210 nan 0.000 0.436 93 D N 5.169 125.618 120.400 0.082 0.000 2.886 93 D HA 0.614 5.254 4.640 0.000 0.000 0.216 93 D C -1.311 174.983 176.300 -0.010 0.000 1.256 93 D CA -0.593 53.420 54.000 0.022 0.000 0.844 93 D CB 2.168 42.958 40.800 -0.017 0.000 1.669 93 D HN 0.844 nan 8.370 nan 0.000 0.513 94 A N 2.471 125.278 122.820 -0.022 0.000 2.893 94 A HA 0.526 4.846 4.320 0.000 0.000 0.298 94 A C -2.874 174.684 177.584 -0.043 0.000 1.227 94 A CA -1.059 50.955 52.037 -0.038 0.000 0.845 94 A CB 0.593 19.579 19.000 -0.023 0.000 1.430 94 A HN 0.357 nan 8.150 nan 0.000 0.493 95 P HA 0.134 nan 4.420 nan 0.000 0.256 95 P C 1.136 178.411 177.300 -0.041 0.000 1.173 95 P CA 1.242 64.320 63.100 -0.036 0.000 0.768 95 P CB 1.038 32.715 31.700 -0.040 0.000 0.758 96 G N 2.646 111.399 108.800 -0.077 0.000 2.558 96 G HA2 -0.019 3.941 3.960 0.000 0.000 0.218 96 G HA3 -0.019 3.941 3.960 0.000 0.000 0.218 96 G C 0.698 175.408 174.900 -0.317 0.000 1.567 96 G CA 0.392 45.346 45.100 -0.243 0.000 0.950 96 G HN 0.627 nan 8.290 nan 0.000 0.517 97 H N -0.511 118.590 119.070 0.052 0.000 1.775 97 H HA 0.200 4.756 4.556 -0.000 0.000 0.164 97 H C -0.309 175.083 175.328 0.107 0.000 0.968 97 H CA 0.467 56.553 56.048 0.064 0.000 1.007 97 H CB 0.768 30.558 29.762 0.046 0.000 0.967 97 H HN 0.520 nan 8.280 nan 0.000 0.327 98 E N 2.240 122.556 120.200 0.193 0.000 2.361 98 E HA 0.442 4.792 4.350 0.000 0.000 0.270 98 E C -0.459 176.143 176.600 0.003 0.000 0.911 98 E CA -0.851 55.648 56.400 0.164 0.000 0.818 98 E CB 2.773 32.577 29.700 0.173 0.000 1.332 98 E HN 0.052 nan 8.360 nan 0.000 0.402 99 V N 2.693 122.472 119.914 -0.224 0.000 5.487 99 V HA -0.361 3.759 4.120 0.000 0.000 0.302 99 V C 0.543 176.544 176.094 -0.155 0.000 0.511 99 V CA 0.903 63.009 62.300 -0.323 0.000 0.684 99 V CB -2.277 29.417 31.823 -0.214 0.000 0.458 99 V HN 0.889 nan 8.190 nan 0.000 1.195 100 L N -3.659 117.492 121.223 -0.120 0.000 7.336 100 L HA -0.268 4.072 4.340 0.000 0.000 0.172 100 L C 1.558 178.249 176.870 -0.298 0.000 1.169 100 L CA 1.956 56.696 54.840 -0.168 0.000 1.369 100 L CB -1.272 40.727 42.059 -0.100 0.000 2.701 100 L HN 0.411 nan 8.230 nan 0.000 1.115 101 M N -0.395 119.056 119.600 -0.248 0.000 2.240 101 M HA 0.206 4.686 4.480 0.000 0.000 0.257 101 M C 0.863 177.105 176.300 -0.097 0.000 1.107 101 M CA 2.414 57.582 55.300 -0.220 0.000 1.169 101 M CB -0.581 31.930 32.600 -0.149 0.000 1.307 101 M HN 0.754 nan 8.290 nan 0.000 0.447 102 A N -0.241 122.531 122.820 -0.080 0.000 3.165 102 A HA 0.443 4.763 4.320 0.000 0.000 0.212 102 A C -0.417 177.141 177.584 -0.043 0.000 0.935 102 A CA -0.350 51.660 52.037 -0.045 0.000 1.100 102 A CB -0.287 18.688 19.000 -0.043 0.000 1.260 102 A HN 0.247 nan 8.150 nan 0.000 0.532 103 T N 0.832 115.353 114.554 -0.055 0.000 3.209 103 T HA 0.388 4.738 4.350 0.000 0.000 0.366 103 T C 0.225 174.894 174.700 -0.051 0.000 1.293 103 T CA -0.178 61.892 62.100 -0.049 0.000 1.417 103 T CB 0.270 69.106 68.868 -0.052 0.000 1.013 103 T HN 0.322 nan 8.240 nan 0.000 0.572 104 M N 1.086 120.655 119.600 -0.051 0.000 2.109 104 M HA 0.239 4.719 4.480 0.000 0.000 0.372 104 M C 1.092 177.355 176.300 -0.061 0.000 0.840 104 M CA -0.096 55.167 55.300 -0.061 0.000 1.128 104 M CB 0.143 32.691 32.600 -0.087 0.000 2.136 104 M HN 0.321 nan 8.290 nan 0.000 0.723 105 L N 0.459 121.656 121.223 -0.044 0.000 2.179 105 L HA 0.031 4.371 4.340 0.000 0.000 0.208 105 L C 1.771 178.634 176.870 -0.012 0.000 1.096 105 L CA 1.491 56.313 54.840 -0.031 0.000 0.779 105 L CB -0.383 41.673 42.059 -0.004 0.000 0.922 105 L HN 0.189 nan 8.230 nan 0.000 0.443 106 S N 0.045 115.735 115.700 -0.016 0.000 2.399 106 S HA -0.069 4.401 4.470 0.000 0.000 0.231 106 S C 1.483 176.069 174.600 -0.024 0.000 1.022 106 S CA 0.842 59.033 58.200 -0.016 0.000 0.983 106 S CB -0.458 62.722 63.200 -0.033 0.000 0.803 106 S HN 0.607 nan 8.310 nan 0.000 0.480 107 G N 0.791 109.572 108.800 -0.032 0.000 3.455 107 G HA2 0.486 4.447 3.960 0.000 0.000 0.250 107 G HA3 0.486 4.447 3.960 0.000 0.000 0.250 107 G C 0.708 175.586 174.900 -0.036 0.000 1.071 107 G CA 0.360 45.439 45.100 -0.034 0.000 1.812 107 G HN 0.427 nan 8.290 nan 0.000 0.643 108 A N 1.606 124.416 122.820 -0.016 0.000 2.028 108 A HA 0.489 4.809 4.320 0.000 0.000 0.213 108 A C 2.495 180.074 177.584 -0.008 0.000 1.486 108 A CA 1.301 53.337 52.037 -0.002 0.000 0.597 108 A CB -0.749 18.292 19.000 0.069 0.000 1.089 108 A HN 0.893 nan 8.150 nan 0.000 0.489 109 A N -1.528 121.298 122.820 0.009 0.000 2.235 109 A HA 0.332 4.652 4.320 0.000 0.000 0.208 109 A C 1.743 179.306 177.584 -0.035 0.000 1.172 109 A CA 0.635 52.666 52.037 -0.010 0.000 0.786 109 A CB -0.545 18.453 19.000 -0.005 0.000 0.804 109 A HN 0.378 nan 8.150 nan 0.000 0.479 110 L N -0.892 120.307 121.223 -0.039 0.000 1.971 110 L HA 0.056 4.396 4.340 0.000 0.000 0.208 110 L C 1.622 178.472 176.870 -0.033 0.000 1.083 110 L CA 1.332 56.146 54.840 -0.043 0.000 0.753 110 L CB -0.539 41.492 42.059 -0.047 0.000 0.893 110 L HN 0.540 nan 8.230 nan 0.000 0.436 111 M N 0.697 120.279 119.600 -0.029 0.000 2.227 111 M HA -0.028 4.452 4.480 0.000 0.000 0.349 111 M C -0.122 176.159 176.300 -0.032 0.000 1.443 111 M CA 0.234 55.520 55.300 -0.024 0.000 1.110 111 M CB 0.361 32.952 32.600 -0.017 0.000 1.773 111 M HN 0.220 nan 8.290 nan 0.000 0.463 112 D N 3.484 123.866 120.400 -0.031 0.000 2.407 112 D HA 0.301 4.941 4.640 0.000 0.000 0.208 112 D C 0.392 176.683 176.300 -0.015 0.000 1.083 112 D CA 0.366 54.348 54.000 -0.029 0.000 0.844 112 D CB 0.893 41.672 40.800 -0.035 0.000 0.967 112 D HN 0.777 nan 8.370 nan 0.000 0.506 113 G N -0.054 108.744 108.800 -0.004 0.000 2.655 113 G HA2 0.553 4.513 3.960 0.000 0.000 0.296 113 G HA3 0.553 4.513 3.960 0.000 0.000 0.296 113 G C -1.773 173.159 174.900 0.053 0.000 1.485 113 G CA -0.421 44.697 45.100 0.030 0.000 0.869 113 G HN 0.110 nan 8.290 nan 0.000 0.540 114 A N 1.313 124.186 122.820 0.089 0.000 2.371 114 A HA 0.842 5.162 4.320 0.000 0.000 0.311 114 A C -0.580 177.088 177.584 0.140 0.000 1.068 114 A CA -0.611 51.495 52.037 0.115 0.000 0.744 114 A CB 1.044 20.114 19.000 0.117 0.000 1.239 114 A HN 0.712 nan 8.150 nan 0.000 0.435 115 I N 2.537 123.188 120.570 0.136 0.000 2.339 115 I HA 0.249 4.419 4.170 0.000 0.000 0.290 115 I C -0.847 175.322 176.117 0.087 0.000 0.994 115 I CA -0.664 60.704 61.300 0.113 0.000 1.191 115 I CB 1.642 39.710 38.000 0.114 0.000 1.343 115 I HN 0.546 nan 8.210 nan 0.000 0.458 116 L N 8.718 129.996 121.223 0.093 0.000 2.259 116 L HA 0.368 4.708 4.340 0.000 0.000 0.288 116 L C -0.332 176.559 176.870 0.036 0.000 1.051 116 L CA -0.199 54.692 54.840 0.085 0.000 0.824 116 L CB 1.356 43.515 42.059 0.167 0.000 1.206 116 L HN 0.403 nan 8.230 nan 0.000 0.429 117 V N 7.419 127.305 119.914 -0.047 0.000 2.432 117 V HA 0.591 4.711 4.120 0.000 0.000 0.271 117 V C -0.597 175.483 176.094 -0.024 0.000 1.046 117 V CA -0.102 62.148 62.300 -0.084 0.000 0.945 117 V CB 1.345 33.044 31.823 -0.206 0.000 0.992 117 V HN 0.626 nan 8.190 nan 0.000 0.471 118 V N 4.937 124.953 119.914 0.171 0.000 2.525 118 V HA 0.925 5.045 4.120 0.000 0.000 0.299 118 V C 0.150 176.427 176.094 0.304 0.000 1.034 118 V CA -0.434 62.097 62.300 0.385 0.000 0.863 118 V CB 0.989 33.014 31.823 0.336 0.000 0.999 118 V HN 1.312 nan 8.190 nan 0.000 0.423 119 A N 3.740 126.722 122.820 0.270 0.000 2.425 119 A HA 0.757 5.077 4.320 0.000 0.000 0.249 119 A C 1.029 178.614 177.584 0.001 0.000 1.084 119 A CA 0.065 52.127 52.037 0.042 0.000 0.781 119 A CB 0.905 19.829 19.000 -0.126 0.000 1.019 119 A HN 2.225 nan 8.150 nan 0.000 0.490 120 A N 2.376 125.202 122.820 0.010 0.000 3.019 120 A HA 0.279 4.599 4.320 0.000 0.000 0.262 120 A C 0.633 178.213 177.584 -0.007 0.000 1.509 120 A CA -0.251 51.788 52.037 0.003 0.000 1.159 120 A CB -0.746 18.254 19.000 0.000 0.000 1.042 120 A HN 0.749 nan 8.150 nan 0.000 0.641 121 N N -0.240 118.445 118.700 -0.026 0.000 2.594 121 N HA 0.072 4.812 4.740 0.000 0.000 0.237 121 N C -0.238 175.250 175.510 -0.036 0.000 1.057 121 N CA 0.472 53.506 53.050 -0.028 0.000 0.883 121 N CB -0.029 38.440 38.487 -0.031 0.000 1.538 121 N HN 0.457 nan 8.380 nan 0.000 0.451 122 E N 1.688 121.849 120.200 -0.065 0.000 2.301 122 E HA 0.339 4.689 4.350 0.000 0.000 0.275 122 E C -2.428 174.150 176.600 -0.036 0.000 1.030 122 E CA -1.810 54.550 56.400 -0.067 0.000 0.852 122 E CB 0.484 30.115 29.700 -0.115 0.000 1.060 122 E HN 0.035 nan 8.360 nan 0.000 0.401 123 P HA -0.063 nan 4.420 nan 0.000 0.258 123 P C -0.762 176.516 177.300 -0.037 0.000 1.214 123 P CA 0.101 63.190 63.100 -0.019 0.000 0.872 123 P CB -0.204 31.474 31.700 -0.035 0.000 0.890 124 F N 6.823 126.685 119.950 -0.146 0.000 2.607 124 F HA 0.058 4.585 4.527 -0.000 0.000 0.374 124 F C -1.312 174.313 175.800 -0.293 0.000 1.104 124 F CA -0.922 56.947 58.000 -0.218 0.000 1.296 124 F CB 0.142 39.025 39.000 -0.196 0.000 1.085 124 F HN 0.378 nan 8.300 nan 0.000 0.584 125 P HA 0.166 nan 4.420 nan 0.000 0.239 125 P C -1.335 175.508 177.300 -0.761 0.000 1.215 125 P CA 0.155 62.225 63.100 -1.716 0.000 0.654 125 P CB 0.203 30.800 31.700 -1.839 0.000 1.146 126 Q N -2.914 116.547 119.800 -0.564 0.000 2.805 126 Q HA 0.223 4.563 4.340 0.000 0.000 0.257 126 Q C -2.847 173.045 176.000 -0.181 0.000 0.977 126 Q CA -0.839 54.792 55.803 -0.285 0.000 0.901 126 Q CB 0.381 28.989 28.738 -0.217 0.000 1.778 126 Q HN -0.081 nan 8.270 nan 0.000 0.441 127 P HA 0.065 nan 4.420 nan 0.000 0.271 127 P C -0.362 176.949 177.300 0.017 0.000 1.535 127 P CA 0.577 63.658 63.100 -0.030 0.000 0.820 127 P CB 0.395 32.084 31.700 -0.018 0.000 1.606 128 Q N -1.936 117.876 119.800 0.020 0.000 2.237 128 Q HA 0.076 4.416 4.340 0.000 0.000 0.254 128 Q C 1.279 177.360 176.000 0.135 0.000 0.771 128 Q CA 1.012 56.870 55.803 0.091 0.000 0.958 128 Q CB -0.362 28.426 28.738 0.083 0.000 1.202 128 Q HN -0.083 nan 8.270 nan 0.000 0.492 129 T N 0.026 114.614 114.554 0.056 0.000 3.060 129 T HA 0.139 4.489 4.350 0.000 0.000 0.249 129 T C 1.327 176.121 174.700 0.157 0.000 1.079 129 T CA 0.414 62.564 62.100 0.084 0.000 1.013 129 T CB 0.228 69.078 68.868 -0.031 0.000 0.975 129 T HN 0.081 nan 8.240 nan 0.000 0.518 130 R N 2.241 122.806 120.500 0.108 0.000 2.061 130 R HA -0.060 4.280 4.340 0.000 0.000 0.230 130 R C 1.936 178.404 176.300 0.279 0.000 1.140 130 R CA 1.694 57.902 56.100 0.181 0.000 0.940 130 R CB -0.311 30.050 30.300 0.102 0.000 0.839 130 R HN 0.246 nan 8.270 nan 0.000 0.429 131 E N -0.628 119.696 120.200 0.207 0.000 2.150 131 E HA -0.132 4.218 4.350 0.000 0.000 0.193 131 E C 1.963 178.635 176.600 0.120 0.000 0.985 131 E CA 1.259 57.747 56.400 0.146 0.000 0.814 131 E CB -0.266 29.483 29.700 0.082 0.000 0.752 131 E HN 0.480 nan 8.360 nan 0.000 0.466 132 H N -0.936 118.224 119.070 0.151 0.000 2.357 132 H HA -0.078 4.478 4.556 -0.000 0.000 0.301 132 H C 1.816 177.277 175.328 0.221 0.000 1.082 132 H CA 1.409 57.546 56.048 0.148 0.000 1.342 132 H CB -0.195 29.647 29.762 0.133 0.000 1.389 132 H HN 0.239 nan 8.280 nan 0.000 0.511 133 F N 1.204 121.321 119.950 0.280 0.000 2.234 133 F HA -0.125 4.401 4.527 -0.001 0.000 0.299 133 F C 2.116 178.103 175.800 0.313 0.000 1.087 133 F CA 0.563 58.746 58.000 0.305 0.000 1.340 133 F CB -0.334 38.837 39.000 0.286 0.000 1.031 133 F HN -0.177 nan 8.300 nan 0.000 0.500 134 V N 0.365 120.388 119.914 0.182 0.000 2.323 134 V HA -0.184 3.936 4.120 0.000 0.000 0.244 134 V C 2.751 178.826 176.094 -0.031 0.000 1.041 134 V CA 1.596 63.930 62.300 0.058 0.000 1.025 134 V CB -1.295 30.614 31.823 0.143 0.000 0.656 134 V HN 0.428 nan 8.190 nan 0.000 0.451 135 A N -0.390 122.415 122.820 -0.025 0.000 1.972 135 A HA -0.122 4.198 4.320 0.000 0.000 0.219 135 A C 2.137 179.627 177.584 -0.157 0.000 1.169 135 A CA 1.371 53.344 52.037 -0.106 0.000 0.635 135 A CB -0.396 18.535 19.000 -0.117 0.000 0.810 135 A HN 0.398 nan 8.150 nan 0.000 0.446 136 L N -0.850 120.313 121.223 -0.100 0.000 2.240 136 L HA -0.048 4.292 4.340 0.000 0.000 0.211 136 L C 2.527 179.127 176.870 -0.451 0.000 1.106 136 L CA 1.796 56.529 54.840 -0.179 0.000 0.793 136 L CB -1.619 40.457 42.059 0.030 0.000 0.927 136 L HN 0.480 nan 8.230 nan 0.000 0.446 137 G N -0.895 107.701 108.800 -0.340 0.000 2.650 137 G HA2 -0.074 3.886 3.960 0.000 0.000 0.214 137 G HA3 -0.074 3.886 3.960 0.000 0.000 0.214 137 G C 1.599 176.268 174.900 -0.385 0.000 1.136 137 G CA 0.130 44.950 45.100 -0.467 0.000 0.789 137 G HN 0.346 nan 8.290 nan 0.000 0.536 138 I N -0.606 119.751 120.570 -0.355 0.000 3.339 138 I HA 0.198 4.368 4.170 0.000 0.000 0.285 138 I C 2.093 177.861 176.117 -0.581 0.000 1.201 138 I CA -0.022 60.992 61.300 -0.477 0.000 1.434 138 I CB 0.212 37.895 38.000 -0.528 0.000 1.152 138 I HN 0.027 nan 8.210 nan 0.000 0.443 139 I N 1.181 121.486 120.570 -0.443 0.000 2.676 139 I HA -0.038 4.132 4.170 0.000 0.000 0.259 139 I C 1.651 177.572 176.117 -0.326 0.000 1.194 139 I CA 1.325 62.408 61.300 -0.361 0.000 1.473 139 I CB -0.296 37.551 38.000 -0.256 0.000 1.096 139 I HN 0.395 nan 8.210 nan 0.000 0.443 140 G N -0.740 107.827 108.800 -0.388 0.000 2.254 140 G HA2 -0.222 3.738 3.960 0.000 0.000 0.225 140 G HA3 -0.222 3.738 3.960 0.000 0.000 0.225 140 G C 0.499 175.177 174.900 -0.370 0.000 1.003 140 G CA 0.045 44.936 45.100 -0.347 0.000 0.622 140 G HN 0.191 nan 8.290 nan 0.000 0.507 141 V N 1.702 121.404 119.914 -0.353 0.000 2.584 141 V HA 0.135 4.255 4.120 0.000 0.000 0.303 141 V C 1.485 177.343 176.094 -0.394 0.000 1.035 141 V CA 1.754 63.885 62.300 -0.282 0.000 1.172 141 V CB 1.205 32.914 31.823 -0.190 0.000 0.896 141 V HN 0.444 nan 8.190 nan 0.000 0.486 142 K N 2.889 123.178 120.400 -0.185 0.000 2.373 142 K HA 0.204 4.524 4.320 0.000 0.000 0.200 142 K C 0.302 176.988 176.600 0.144 0.000 1.054 142 K CA 0.016 56.271 56.287 -0.053 0.000 1.065 142 K CB 0.262 32.757 32.500 -0.009 0.000 0.886 142 K HN 0.677 nan 8.250 nan 0.000 0.546 143 N N 1.919 120.684 118.700 0.108 0.000 3.188 143 N HA 0.078 4.818 4.740 0.000 0.000 0.279 143 N C -1.274 174.362 175.510 0.209 0.000 1.213 143 N CA -0.175 52.982 53.050 0.177 0.000 1.138 143 N CB 0.509 39.062 38.487 0.110 0.000 1.417 143 N HN -0.098 nan 8.380 nan 0.000 0.526 144 L N 2.581 123.981 121.223 0.295 0.000 2.295 144 L HA 0.541 4.881 4.340 0.000 0.000 0.285 144 L C -0.549 176.396 176.870 0.126 0.000 1.035 144 L CA -0.513 54.491 54.840 0.272 0.000 0.806 144 L CB 1.064 43.407 42.059 0.472 0.000 1.214 144 L HN 0.401 nan 8.230 nan 0.000 0.426 145 I N 5.811 126.432 120.570 0.085 0.000 2.439 145 I HA 0.315 4.485 4.170 0.000 0.000 0.283 145 I C -0.541 175.589 176.117 0.022 0.000 1.023 145 I CA -0.554 60.740 61.300 -0.010 0.000 1.100 145 I CB 1.930 39.929 38.000 -0.002 0.000 1.238 145 I HN 0.392 nan 8.210 nan 0.000 0.445 146 I N 7.158 127.726 120.570 -0.003 0.000 2.488 146 I HA 0.456 4.626 4.170 0.000 0.000 0.299 146 I C -0.061 176.055 176.117 -0.003 0.000 0.984 146 I CA -0.728 60.586 61.300 0.023 0.000 1.250 146 I CB 1.766 39.786 38.000 0.034 0.000 1.389 146 I HN 0.261 nan 8.210 nan 0.000 0.488 147 V N 1.879 121.799 119.914 0.011 0.000 2.638 147 V HA 0.479 4.599 4.120 0.000 0.000 0.306 147 V C -0.510 175.593 176.094 0.015 0.000 1.052 147 V CA -0.850 61.450 62.300 0.000 0.000 0.885 147 V CB 1.511 33.329 31.823 -0.009 0.000 0.999 147 V HN 0.731 nan 8.190 nan 0.000 0.424 148 Q N 2.944 122.746 119.800 0.004 0.000 3.004 148 Q HA 0.196 4.536 4.340 0.000 0.000 0.256 148 Q C 0.104 176.114 176.000 0.017 0.000 1.387 148 Q CA -0.029 55.781 55.803 0.011 0.000 0.962 148 Q CB -0.124 28.611 28.738 -0.005 0.000 1.676 148 Q HN 0.790 nan 8.270 nan 0.000 0.568 149 N N 2.151 120.875 118.700 0.040 0.000 2.416 149 N HA -0.092 4.648 4.740 0.000 0.000 0.246 149 N C -0.163 175.371 175.510 0.040 0.000 1.260 149 N CA 0.458 53.528 53.050 0.034 0.000 0.897 149 N CB 0.450 38.961 38.487 0.039 0.000 1.110 149 N HN 0.184 nan 8.380 nan 0.000 0.439 150 K N 0.789 121.211 120.400 0.036 0.000 3.150 150 K HA -0.103 4.217 4.320 0.000 0.000 0.267 150 K C 0.550 177.163 176.600 0.022 0.000 1.028 150 K CA 0.876 57.192 56.287 0.048 0.000 0.753 150 K CB -2.332 30.208 32.500 0.066 0.000 1.288 150 K HN 0.493 nan 8.250 nan 0.000 0.473 151 V N -2.406 117.507 119.914 -0.001 0.000 3.380 151 V HA -0.143 3.977 4.120 0.000 0.000 0.268 151 V C 1.678 177.744 176.094 -0.047 0.000 1.168 151 V CA 1.575 63.860 62.300 -0.025 0.000 1.156 151 V CB -0.435 31.366 31.823 -0.038 0.000 0.785 151 V HN 0.338 nan 8.190 nan 0.000 0.487 152 D N 0.530 120.898 120.400 -0.053 0.000 2.371 152 D HA -0.079 4.561 4.640 0.000 0.000 0.221 152 D C 1.575 177.853 176.300 -0.037 0.000 0.986 152 D CA 0.801 54.737 54.000 -0.106 0.000 0.899 152 D CB -0.149 40.557 40.800 -0.157 0.000 0.902 152 D HN 0.377 nan 8.370 nan 0.000 0.530 153 V N 0.351 120.262 119.914 -0.005 0.000 2.341 153 V HA -0.002 4.118 4.120 0.000 0.000 0.240 153 V C 1.419 177.510 176.094 -0.005 0.000 1.035 153 V CA 0.877 63.182 62.300 0.009 0.000 1.033 153 V CB -0.126 31.710 31.823 0.022 0.000 0.678 153 V HN 0.350 nan 8.190 nan 0.000 0.464 154 V N -2.052 117.855 119.914 -0.011 0.000 3.262 154 V HA 0.646 4.766 4.120 0.000 0.000 0.313 154 V C 0.342 176.421 176.094 -0.024 0.000 1.070 154 V CA -0.325 61.967 62.300 -0.014 0.000 1.049 154 V CB 1.420 33.236 31.823 -0.012 0.000 1.157 154 V HN 0.211 nan 8.190 nan 0.000 0.454 155 S N -0.632 115.054 115.700 -0.022 0.000 2.590 155 S HA 0.315 4.785 4.470 0.000 0.000 0.282 155 S C 1.142 175.723 174.600 -0.032 0.000 1.136 155 S CA 0.099 58.282 58.200 -0.028 0.000 1.030 155 S CB 1.077 64.264 63.200 -0.022 0.000 1.195 155 S HN 0.965 nan 8.310 nan 0.000 0.506 156 K N 0.368 120.747 120.400 -0.035 0.000 2.031 156 K HA 0.015 4.335 4.320 0.000 0.000 0.205 156 K C 1.587 178.167 176.600 -0.034 0.000 1.049 156 K CA 1.427 57.689 56.287 -0.042 0.000 0.939 156 K CB -0.340 32.134 32.500 -0.043 0.000 0.717 156 K HN 0.602 nan 8.250 nan 0.000 0.438 157 E N 0.161 120.347 120.200 -0.024 0.000 2.409 157 E HA -0.128 4.222 4.350 0.000 0.000 0.198 157 E C 1.471 178.066 176.600 -0.009 0.000 1.024 157 E CA 0.558 56.949 56.400 -0.015 0.000 0.861 157 E CB 0.258 29.951 29.700 -0.012 0.000 0.788 157 E HN 0.362 nan 8.360 nan 0.000 0.521 158 E N 0.378 120.571 120.200 -0.012 0.000 2.132 158 E HA 0.037 4.387 4.350 0.000 0.000 0.193 158 E C 1.677 178.275 176.600 -0.004 0.000 0.951 158 E CA 0.560 56.956 56.400 -0.007 0.000 0.843 158 E CB -0.006 29.688 29.700 -0.009 0.000 0.807 158 E HN 0.146 nan 8.360 nan 0.000 0.467 159 A N 0.972 123.784 122.820 -0.014 0.000 2.276 159 A HA 0.164 4.484 4.320 0.000 0.000 0.212 159 A C 1.829 179.409 177.584 -0.006 0.000 1.230 159 A CA 0.199 52.228 52.037 -0.014 0.000 0.844 159 A CB -0.350 18.630 19.000 -0.033 0.000 0.860 159 A HN 0.146 nan 8.150 nan 0.000 0.486 160 L N -2.335 118.890 121.223 0.002 0.000 2.467 160 L HA 0.108 4.448 4.340 0.000 0.000 0.213 160 L C 2.480 179.402 176.870 0.087 0.000 1.053 160 L CA 1.010 55.863 54.840 0.021 0.000 0.847 160 L CB 0.122 42.169 42.059 -0.021 0.000 1.075 160 L HN 0.383 nan 8.230 nan 0.000 0.479 161 S N -0.698 115.029 115.700 0.045 0.000 2.395 161 S HA -0.187 4.283 4.470 0.000 0.000 0.225 161 S C 1.814 176.430 174.600 0.028 0.000 1.027 161 S CA 0.981 59.203 58.200 0.036 0.000 0.965 161 S CB -0.079 63.131 63.200 0.018 0.000 0.812 161 S HN 0.416 nan 8.310 nan 0.000 0.482 162 Q N -0.416 119.398 119.800 0.023 0.000 2.369 162 Q HA -0.116 4.224 4.340 0.000 0.000 0.206 162 Q C 1.572 177.537 176.000 -0.059 0.000 0.963 162 Q CA 1.035 56.836 55.803 -0.003 0.000 0.894 162 Q CB -0.220 28.519 28.738 0.001 0.000 0.965 162 Q HN 0.843 nan 8.270 nan 0.000 0.475 163 Y N 0.524 120.741 120.300 -0.138 0.000 2.337 163 Y HA -0.008 4.543 4.550 0.001 0.000 0.293 163 Y C 1.892 177.697 175.900 -0.159 0.000 1.123 163 Y CA 1.068 59.059 58.100 -0.181 0.000 1.201 163 Y CB 0.187 38.570 38.460 -0.128 0.000 1.011 163 Y HN 0.005 nan 8.280 nan 0.000 0.545 164 R N 0.078 120.513 120.500 -0.109 0.000 2.189 164 R HA -0.093 4.247 4.340 0.000 0.000 0.218 164 R C 1.786 177.993 176.300 -0.155 0.000 1.074 164 R CA 1.375 57.387 56.100 -0.147 0.000 0.991 164 R CB -0.184 30.110 30.300 -0.009 0.000 0.883 164 R HN 0.511 nan 8.270 nan 0.000 0.457 165 Q N 0.044 119.769 119.800 -0.125 0.000 2.451 165 Q HA 0.061 4.401 4.340 0.000 0.000 0.206 165 Q C 1.540 177.542 176.000 0.004 0.000 0.947 165 Q CA 0.625 56.419 55.803 -0.016 0.000 0.937 165 Q CB 0.307 29.081 28.738 0.060 0.000 1.025 165 Q HN 0.409 nan 8.270 nan 0.000 0.511 166 I N -0.130 120.235 120.570 -0.343 0.000 2.512 166 I HA -0.114 4.056 4.170 0.000 0.000 0.247 166 I C 1.867 177.860 176.117 -0.207 0.000 1.094 166 I CA 0.352 61.353 61.300 -0.499 0.000 1.427 166 I CB -0.069 37.346 38.000 -0.975 0.000 1.149 166 I HN -0.039 nan 8.210 nan 0.000 0.438 167 K N 0.821 120.998 120.400 -0.371 0.000 2.097 167 K HA -0.214 4.106 4.320 0.000 0.000 0.206 167 K C 2.072 178.588 176.600 -0.140 0.000 1.049 167 K CA 1.457 57.582 56.287 -0.269 0.000 0.933 167 K CB -0.404 31.890 32.500 -0.344 0.000 0.717 167 K HN 0.214 nan 8.250 nan 0.000 0.442 168 Q N 0.056 119.798 119.800 -0.096 0.000 2.230 168 Q HA -0.022 4.318 4.340 0.000 0.000 0.202 168 Q C 1.719 177.730 176.000 0.018 0.000 0.963 168 Q CA 0.885 56.668 55.803 -0.034 0.000 0.866 168 Q CB -0.227 28.503 28.738 -0.014 0.000 0.931 168 Q HN 0.324 nan 8.270 nan 0.000 0.452 169 F N -0.008 119.898 119.950 -0.072 0.000 2.325 169 F HA -0.019 4.509 4.527 0.001 0.000 0.299 169 F C 1.260 176.981 175.800 -0.131 0.000 1.090 169 F CA 1.388 59.350 58.000 -0.062 0.000 1.392 169 F CB 0.062 39.089 39.000 0.045 0.000 1.053 169 F HN 0.096 nan 8.300 nan 0.000 0.521 170 T N -0.886 113.496 114.554 -0.287 0.000 3.332 170 T HA 0.183 4.533 4.350 0.000 0.000 0.246 170 T C 0.170 174.721 174.700 -0.248 0.000 0.943 170 T CA -0.577 61.291 62.100 -0.386 0.000 0.922 170 T CB -0.516 68.203 68.868 -0.248 0.000 1.086 170 T HN -0.097 nan 8.240 nan 0.000 0.590 171 K N 1.532 121.800 120.400 -0.220 0.000 2.316 171 K HA 0.421 4.741 4.320 0.000 0.000 0.289 171 K C 1.420 177.952 176.600 -0.113 0.000 1.070 171 K CA 0.681 56.890 56.287 -0.129 0.000 0.928 171 K CB 0.784 33.230 32.500 -0.090 0.000 1.039 171 K HN 0.539 nan 8.250 nan 0.000 0.480 172 G N 2.546 111.302 108.800 -0.073 0.000 2.299 172 G HA2 -0.332 3.628 3.960 0.000 0.000 0.237 172 G HA3 -0.332 3.628 3.960 0.000 0.000 0.237 172 G C 0.477 175.361 174.900 -0.026 0.000 1.027 172 G CA 0.576 45.654 45.100 -0.037 0.000 0.619 172 G HN 0.671 nan 8.290 nan 0.000 0.513 173 T N -0.522 113.984 114.554 -0.080 0.000 2.856 173 T HA 0.325 4.675 4.350 0.000 0.000 0.306 173 T C 1.685 176.331 174.700 -0.089 0.000 1.062 173 T CA 0.576 62.621 62.100 -0.090 0.000 1.083 173 T CB 0.560 69.336 68.868 -0.152 0.000 0.984 173 T HN 1.027 nan 8.240 nan 0.000 0.542 174 W N 0.607 121.935 121.300 0.047 0.000 2.331 174 W HA -0.030 4.629 4.660 -0.002 0.000 0.291 174 W C 1.015 177.581 176.519 0.078 0.000 1.214 174 W CA 0.488 57.856 57.345 0.038 0.000 1.228 174 W CB -1.315 28.143 29.460 -0.003 0.000 1.135 174 W HN 0.728 nan 8.180 nan 0.000 0.537 175 A N 1.646 123.966 122.820 -0.832 0.000 3.117 175 A HA 0.147 4.467 4.320 0.000 0.000 0.255 175 A C 1.498 178.924 177.584 -0.262 0.000 1.583 175 A CA -0.029 51.604 52.037 -0.673 0.000 1.234 175 A CB -0.673 17.658 19.000 -1.115 0.000 1.076 175 A HN 0.398 nan 8.150 nan 0.000 0.653 176 E N 0.132 120.271 120.200 -0.103 0.000 2.022 176 E HA -0.103 4.247 4.350 0.000 0.000 0.190 176 E C 1.184 177.778 176.600 -0.011 0.000 0.973 176 E CA 0.996 57.361 56.400 -0.060 0.000 0.816 176 E CB -0.069 29.622 29.700 -0.015 0.000 0.781 176 E HN 0.829 nan 8.360 nan 0.000 0.456 177 N N 1.061 119.800 118.700 0.065 0.000 2.573 177 N HA -0.052 4.688 4.740 0.000 0.000 0.187 177 N C 0.213 175.805 175.510 0.137 0.000 1.107 177 N CA -0.070 53.054 53.050 0.123 0.000 0.918 177 N CB 0.036 38.633 38.487 0.182 0.000 0.966 177 N HN 0.003 nan 8.380 nan 0.000 0.448 178 V N 0.106 120.061 119.914 0.069 0.000 2.557 178 V HA 0.141 4.261 4.120 0.000 0.000 0.301 178 V C -2.166 173.831 176.094 -0.161 0.000 1.026 178 V CA -1.621 60.634 62.300 -0.075 0.000 1.137 178 V CB 0.121 31.931 31.823 -0.021 0.000 0.917 178 V HN -0.069 nan 8.190 nan 0.000 0.484 179 P HA 0.649 nan 4.420 nan 0.000 0.279 179 P C -0.617 176.612 177.300 -0.119 0.000 1.282 179 P CA -0.637 62.347 63.100 -0.194 0.000 0.788 179 P CB 0.643 32.171 31.700 -0.286 0.000 1.139 180 I N -0.264 120.287 120.570 -0.032 0.000 2.569 180 I HA 0.426 4.596 4.170 0.000 0.000 0.290 180 I C -0.559 175.551 176.117 -0.012 0.000 1.088 180 I CA -0.563 60.735 61.300 -0.004 0.000 1.047 180 I CB 1.915 39.956 38.000 0.068 0.000 1.237 180 I HN 0.065 nan 8.210 nan 0.000 0.421 181 I N 6.379 126.933 120.570 -0.028 0.000 2.420 181 I HA 0.350 4.520 4.170 0.000 0.000 0.282 181 I C -2.562 173.537 176.117 -0.031 0.000 1.019 181 I CA -1.999 59.279 61.300 -0.037 0.000 1.130 181 I CB 1.509 39.483 38.000 -0.042 0.000 1.262 181 I HN 0.167 nan 8.210 nan 0.000 0.454 182 P HA 0.078 nan 4.420 nan 0.000 0.265 182 P C -0.479 176.803 177.300 -0.029 0.000 1.222 182 P CA 0.035 63.114 63.100 -0.035 0.000 0.767 182 P CB 0.676 32.342 31.700 -0.056 0.000 0.801 183 V N 0.713 120.617 119.914 -0.017 0.000 3.102 183 V HA 0.770 4.891 4.120 0.000 0.000 0.312 183 V C -0.290 175.808 176.094 0.005 0.000 1.135 183 V CA -1.252 61.043 62.300 -0.009 0.000 1.022 183 V CB 2.111 33.928 31.823 -0.010 0.000 1.056 183 V HN 0.434 nan 8.190 nan 0.000 0.436 184 S N 1.386 117.102 115.700 0.027 0.000 2.452 184 S HA 0.679 5.149 4.470 0.000 0.000 0.284 184 S C 0.707 175.363 174.600 0.093 0.000 1.171 184 S CA 0.039 58.283 58.200 0.074 0.000 1.064 184 S CB 1.149 64.426 63.200 0.128 0.000 0.967 184 S HN 1.934 nan 8.310 nan 0.000 0.484 185 A N 3.384 126.262 122.820 0.096 0.000 2.265 185 A HA 0.424 4.744 4.320 0.000 0.000 0.213 185 A C 1.010 178.678 177.584 0.140 0.000 1.255 185 A CA 0.187 52.262 52.037 0.063 0.000 0.862 185 A CB -1.062 17.926 19.000 -0.019 0.000 0.852 185 A HN 1.617 nan 8.150 nan 0.000 0.484 186 L N -6.736 114.588 121.223 0.168 0.000 3.814 186 L HA 0.355 4.695 4.340 0.000 0.000 0.397 186 L C -0.077 176.766 176.870 -0.045 0.000 1.269 186 L CA -0.226 54.673 54.840 0.098 0.000 1.213 186 L CB -1.043 41.081 42.059 0.107 0.000 1.369 186 L HN 0.102 nan 8.230 nan 0.000 0.581 187 H N -0.079 119.015 119.070 0.040 0.000 3.622 187 H HA 0.331 4.887 4.556 0.000 0.000 0.259 187 H C 0.094 175.436 175.328 0.022 0.000 1.145 187 H CA -0.039 56.026 56.048 0.027 0.000 1.178 187 H CB 0.786 30.561 29.762 0.022 0.000 1.542 187 H HN 0.144 nan 8.280 nan 0.000 0.586 188 K N 0.647 121.117 120.400 0.118 0.000 3.117 188 K HA -0.142 4.178 4.320 0.000 0.000 0.269 188 K C -0.448 176.196 176.600 0.074 0.000 1.098 188 K CA 0.960 57.291 56.287 0.075 0.000 0.785 188 K CB -2.430 30.101 32.500 0.052 0.000 1.242 188 K HN 0.625 nan 8.250 nan 0.000 0.491 189 I N -4.546 116.071 120.570 0.078 0.000 2.934 189 I HA 0.499 4.669 4.170 0.000 0.000 0.306 189 I C 0.894 177.027 176.117 0.026 0.000 1.110 189 I CA -0.890 60.441 61.300 0.051 0.000 1.019 189 I CB 2.003 40.033 38.000 0.049 0.000 1.227 189 I HN 0.014 nan 8.210 nan 0.000 0.434 190 N N 1.508 120.217 118.700 0.015 0.000 2.753 190 N HA -0.200 4.540 4.740 0.000 0.000 0.251 190 N C 0.423 175.932 175.510 -0.002 0.000 1.097 190 N CA 1.606 54.656 53.050 -0.000 0.000 0.786 190 N CB -0.848 37.630 38.487 -0.015 0.000 1.137 190 N HN 0.813 nan 8.380 nan 0.000 0.566 191 I N -1.890 118.686 120.570 0.011 0.000 2.852 191 I HA 0.111 4.281 4.170 0.000 0.000 0.264 191 I C 1.763 177.885 176.117 0.008 0.000 1.179 191 I CA 1.162 62.467 61.300 0.008 0.000 1.480 191 I CB -0.469 37.543 38.000 0.019 0.000 1.111 191 I HN 0.039 nan 8.210 nan 0.000 0.441 192 D N 0.556 120.968 120.400 0.020 0.000 2.310 192 D HA -0.087 4.553 4.640 0.000 0.000 0.212 192 D C 1.732 178.001 176.300 -0.051 0.000 0.965 192 D CA 1.070 55.087 54.000 0.028 0.000 0.879 192 D CB -0.521 40.324 40.800 0.075 0.000 0.921 192 D HN 0.356 nan 8.370 nan 0.000 0.510 193 S N -0.127 115.541 115.700 -0.052 0.000 2.406 193 S HA 0.064 4.534 4.470 0.000 0.000 0.224 193 S C 1.643 176.182 174.600 -0.101 0.000 1.030 193 S CA -0.167 57.980 58.200 -0.089 0.000 0.958 193 S CB -0.182 62.986 63.200 -0.053 0.000 0.811 193 S HN 0.265 nan 8.310 nan 0.000 0.489 194 L N 2.043 123.228 121.223 -0.062 0.000 2.131 194 L HA -0.068 4.272 4.340 0.000 0.000 0.210 194 L C 1.735 178.576 176.870 -0.048 0.000 1.092 194 L CA 1.635 56.448 54.840 -0.044 0.000 0.759 194 L CB -0.820 41.225 42.059 -0.023 0.000 0.903 194 L HN 0.230 nan 8.230 nan 0.000 0.435 195 I N 0.356 120.884 120.570 -0.070 0.000 2.252 195 I HA -0.270 3.900 4.170 0.000 0.000 0.245 195 I C 2.526 178.492 176.117 -0.252 0.000 1.102 195 I CA 1.208 62.461 61.300 -0.078 0.000 1.385 195 I CB -1.144 36.847 38.000 -0.014 0.000 1.064 195 I HN 0.401 nan 8.210 nan 0.000 0.414 196 E N 0.842 120.748 120.200 -0.490 0.000 2.204 196 E HA -0.178 4.172 4.350 0.000 0.000 0.195 196 E C 2.270 178.734 176.600 -0.226 0.000 0.990 196 E CA 1.214 57.223 56.400 -0.652 0.000 0.821 196 E CB -0.112 29.232 29.700 -0.592 0.000 0.750 196 E HN 0.504 nan 8.360 nan 0.000 0.477 197 G N 1.261 109.992 108.800 -0.116 0.000 2.394 197 G HA2 -0.212 3.748 3.960 0.000 0.000 0.214 197 G HA3 -0.212 3.748 3.960 0.000 0.000 0.214 197 G C 1.577 176.509 174.900 0.054 0.000 1.176 197 G CA 0.705 45.804 45.100 -0.002 0.000 0.786 197 G HN 0.227 nan 8.290 nan 0.000 0.533 198 I N 0.936 121.524 120.570 0.030 0.000 2.194 198 I HA -0.120 4.050 4.170 0.000 0.000 0.246 198 I C 1.164 177.313 176.117 0.053 0.000 1.093 198 I CA 0.885 62.223 61.300 0.064 0.000 1.355 198 I CB -0.153 37.894 38.000 0.079 0.000 1.046 198 I HN 0.091 nan 8.210 nan 0.000 0.413 199 E N 1.154 121.367 120.200 0.022 0.000 2.594 199 E HA 0.019 4.369 4.350 0.000 0.000 0.300 199 E C 0.366 176.997 176.600 0.052 0.000 1.568 199 E CA 0.335 56.765 56.400 0.049 0.000 1.811 199 E CB 0.317 30.095 29.700 0.130 0.000 1.458 199 E HN 0.523 nan 8.360 nan 0.000 0.470 200 E N -1.134 119.109 120.200 0.071 0.000 2.876 200 E HA -0.004 4.346 4.350 0.000 0.000 0.286 200 E C 0.699 177.337 176.600 0.063 0.000 1.128 200 E CA -0.080 56.364 56.400 0.074 0.000 2.071 200 E CB -0.531 29.252 29.700 0.139 0.000 2.256 200 E HN 0.125 nan 8.360 nan 0.000 1.056 201 Y N 0.862 121.173 120.300 0.019 0.000 2.184 201 Y HA 0.300 4.849 4.550 -0.000 0.000 0.290 201 Y C 0.871 176.790 175.900 0.033 0.000 1.129 201 Y CA 1.180 59.300 58.100 0.034 0.000 1.144 201 Y CB 0.376 38.866 38.460 0.050 0.000 0.995 201 Y HN 0.059 nan 8.280 nan 0.000 0.513 202 I N 2.053 122.734 120.570 0.184 0.000 2.224 202 I HA 0.083 4.253 4.170 0.000 0.000 0.293 202 I C -0.271 175.873 176.117 0.046 0.000 1.155 202 I CA -0.123 61.238 61.300 0.101 0.000 1.297 202 I CB -0.128 37.925 38.000 0.089 0.000 1.487 202 I HN 0.064 nan 8.210 nan 0.000 0.564 203 K N 2.775 123.191 120.400 0.027 0.000 2.117 203 K HA 0.380 4.700 4.320 0.000 0.000 0.240 203 K C 0.201 176.796 176.600 -0.009 0.000 1.031 203 K CA -0.565 55.723 56.287 0.002 0.000 0.909 203 K CB 0.772 33.269 32.500 -0.005 0.000 1.097 203 K HN 0.231 nan 8.250 nan 0.000 0.492 204 T N 3.571 118.113 114.554 -0.020 0.000 2.729 204 T HA 0.204 4.554 4.350 0.000 0.000 0.296 204 T C -2.179 172.520 174.700 -0.002 0.000 0.928 204 T CA -1.306 60.779 62.100 -0.026 0.000 1.045 204 T CB 0.646 69.487 68.868 -0.043 0.000 0.902 204 T HN 0.316 nan 8.240 nan 0.000 0.500 205 P HA 0.075 nan 4.420 nan 0.000 0.270 205 P C -0.677 176.654 177.300 0.051 0.000 1.223 205 P CA -0.574 62.541 63.100 0.025 0.000 0.785 205 P CB 0.318 32.019 31.700 0.002 0.000 0.923 206 Y N 2.364 122.651 120.300 -0.023 0.000 2.425 206 Y HA 0.174 4.723 4.550 -0.000 0.000 0.331 206 Y C 0.251 176.140 175.900 -0.017 0.000 1.157 206 Y CA 0.006 58.093 58.100 -0.021 0.000 1.372 206 Y CB 0.513 38.963 38.460 -0.017 0.000 1.253 206 Y HN 0.174 nan 8.280 nan 0.000 0.536 207 R N 4.808 124.782 120.500 -0.877 0.000 2.343 207 R HA 0.160 4.500 4.340 0.000 0.000 0.320 207 R C -1.347 174.360 176.300 -0.988 0.000 0.956 207 R CA -0.852 54.829 56.100 -0.698 0.000 0.836 207 R CB 1.105 31.201 30.300 -0.338 0.000 1.151 207 R HN 0.704 nan 8.270 nan 0.000 0.450 208 D N 3.979 124.019 120.400 -0.600 0.000 2.479 208 D HA 0.092 4.732 4.640 0.000 0.000 0.218 208 D C 0.194 176.395 176.300 -0.165 0.000 1.131 208 D CA -0.410 53.400 54.000 -0.316 0.000 0.916 208 D CB 0.661 41.407 40.800 -0.089 0.000 1.022 208 D HN 0.185 nan 8.370 nan 0.000 0.515 209 L N 3.221 124.361 121.223 -0.138 0.000 2.939 209 L HA 0.146 4.486 4.340 0.000 0.000 0.239 209 L C 1.356 178.192 176.870 -0.058 0.000 1.325 209 L CA 0.227 55.012 54.840 -0.091 0.000 1.170 209 L CB -1.518 40.496 42.059 -0.076 0.000 1.538 209 L HN 0.411 nan 8.230 nan 0.000 0.452 210 S N -2.292 113.381 115.700 -0.044 0.000 2.728 210 S HA 0.124 4.594 4.470 0.000 0.000 0.257 210 S C 0.502 175.086 174.600 -0.027 0.000 1.060 210 S CA -0.589 57.595 58.200 -0.027 0.000 1.126 210 S CB 0.484 63.684 63.200 0.001 0.000 1.099 210 S HN 0.549 nan 8.310 nan 0.000 0.617 211 Q N 1.359 121.141 119.800 -0.030 0.000 2.169 211 Q HA 0.470 4.810 4.340 0.000 0.000 0.234 211 Q C -0.505 175.471 176.000 -0.040 0.000 0.980 211 Q CA -1.038 54.755 55.803 -0.017 0.000 0.941 211 Q CB 0.604 29.345 28.738 0.006 0.000 1.199 211 Q HN 0.139 nan 8.270 nan 0.000 0.496 212 K N 1.457 121.849 120.400 -0.014 0.000 2.440 212 K HA 0.020 4.340 4.320 0.000 0.000 0.275 212 K C -2.140 174.413 176.600 -0.077 0.000 1.082 212 K CA -0.941 55.331 56.287 -0.026 0.000 1.135 212 K CB -0.037 32.486 32.500 0.038 0.000 0.864 212 K HN 0.359 nan 8.250 nan 0.000 0.479 213 P HA 0.004 nan 4.420 nan 0.000 0.266 213 P C -1.223 176.020 177.300 -0.094 0.000 1.215 213 P CA -0.135 62.754 63.100 -0.351 0.000 0.763 213 P CB 0.811 32.001 31.700 -0.850 0.000 0.806 214 V N 5.081 125.055 119.914 0.099 0.000 2.808 214 V HA 0.543 4.663 4.120 0.000 0.000 0.308 214 V C -0.357 175.747 176.094 0.017 0.000 1.099 214 V CA -0.530 61.805 62.300 0.058 0.000 0.920 214 V CB 2.296 33.929 31.823 -0.316 0.000 1.014 214 V HN 0.527 nan 8.190 nan 0.000 0.425 215 M N 5.366 124.894 119.600 -0.121 0.000 2.327 215 M HA 0.580 5.060 4.480 0.000 0.000 0.298 215 M C -1.945 174.176 176.300 -0.299 0.000 1.065 215 M CA -0.618 54.513 55.300 -0.281 0.000 0.916 215 M CB 2.014 34.312 32.600 -0.503 0.000 1.630 215 M HN 0.681 nan 8.290 nan 0.000 0.442 216 L N 5.180 126.228 121.223 -0.290 0.000 2.367 216 L HA 0.399 4.739 4.340 0.000 0.000 0.275 216 L C -0.945 175.802 176.870 -0.204 0.000 1.129 216 L CA -0.524 54.174 54.840 -0.237 0.000 0.839 216 L CB 1.323 43.259 42.059 -0.204 0.000 1.133 216 L HN 0.555 nan 8.230 nan 0.000 0.453 217 V N 6.589 126.399 119.914 -0.173 0.000 2.385 217 V HA 0.092 4.212 4.120 0.000 0.000 0.269 217 V C 1.046 177.050 176.094 -0.150 0.000 1.043 217 V CA -0.166 62.033 62.300 -0.169 0.000 0.906 217 V CB 1.256 32.986 31.823 -0.155 0.000 0.995 217 V HN 0.784 nan 8.190 nan 0.000 0.467 218 I N 2.760 123.234 120.570 -0.159 0.000 3.968 218 I HA 0.438 4.608 4.170 0.000 0.000 0.328 218 I C 0.746 176.760 176.117 -0.170 0.000 1.290 218 I CA 0.111 61.325 61.300 -0.142 0.000 1.163 218 I CB 0.012 37.935 38.000 -0.127 0.000 1.024 218 I HN 0.710 nan 8.210 nan 0.000 0.413 219 R N 1.795 122.160 120.500 -0.226 0.000 2.979 219 R HA 0.371 4.711 4.340 0.000 0.000 0.286 219 R C -1.970 174.073 176.300 -0.428 0.000 0.972 219 R CA 0.121 56.014 56.100 -0.344 0.000 0.828 219 R CB 0.279 30.310 30.300 -0.448 0.000 1.368 219 R HN 0.185 nan 8.270 nan 0.000 0.511 220 S N -0.068 115.281 115.700 -0.586 0.000 2.566 220 S HA 0.742 5.212 4.470 0.000 0.000 0.273 220 S C -0.977 173.295 174.600 -0.548 0.000 1.157 220 S CA -0.796 57.126 58.200 -0.462 0.000 0.938 220 S CB 0.899 63.963 63.200 -0.226 0.000 1.087 220 S HN 0.392 nan 8.310 nan 0.000 0.474 221 F N 1.110 121.032 119.950 -0.047 0.000 2.585 221 F HA 0.713 5.240 4.527 0.000 0.000 0.350 221 F C 0.313 176.095 175.800 -0.030 0.000 1.074 221 F CA -0.797 57.182 58.000 -0.035 0.000 1.032 221 F CB 0.848 39.826 39.000 -0.036 0.000 1.330 221 F HN 0.585 nan 8.300 nan 0.000 0.495 222 D N 0.192 120.715 120.400 0.204 0.000 2.471 222 D HA 0.203 4.843 4.640 0.000 0.000 0.245 222 D C 0.405 176.751 176.300 0.076 0.000 1.116 222 D CA -0.269 53.791 54.000 0.101 0.000 0.853 222 D CB 1.848 42.688 40.800 0.066 0.000 1.123 222 D HN 0.346 nan 8.370 nan 0.000 0.540 223 V N 4.260 124.202 119.914 0.046 0.000 2.343 223 V HA -0.089 4.031 4.120 0.000 0.000 0.247 223 V C 0.272 176.366 176.094 0.001 0.000 1.051 223 V CA 1.352 63.656 62.300 0.008 0.000 1.036 223 V CB -0.564 31.253 31.823 -0.010 0.000 0.654 223 V HN 0.547 nan 8.190 nan 0.000 0.451 224 N N 1.587 120.293 118.700 0.009 0.000 2.483 224 N HA 0.196 4.936 4.740 0.000 0.000 0.264 224 N C -0.514 175.003 175.510 0.012 0.000 1.197 224 N CA 0.018 53.072 53.050 0.007 0.000 0.927 224 N CB 0.403 38.899 38.487 0.014 0.000 1.065 224 N HN 0.661 nan 8.380 nan 0.000 0.461 225 K N 1.434 121.838 120.400 0.006 0.000 2.110 225 K HA 0.468 4.788 4.320 0.000 0.000 0.263 225 K C -2.746 173.862 176.600 0.012 0.000 0.975 225 K CA -1.971 54.322 56.287 0.009 0.000 0.895 225 K CB 0.678 33.179 32.500 0.002 0.000 1.060 225 K HN 0.166 nan 8.250 nan 0.000 0.448 226 P HA -0.075 nan 4.420 nan 0.000 0.259 226 P C 0.561 177.871 177.300 0.017 0.000 1.163 226 P CA 1.338 64.450 63.100 0.019 0.000 0.760 226 P CB 0.416 32.127 31.700 0.017 0.000 0.762 227 G N 1.653 110.466 108.800 0.022 0.000 2.253 227 G HA2 -0.194 3.766 3.960 0.000 0.000 0.209 227 G HA3 -0.194 3.766 3.960 0.000 0.000 0.209 227 G C 0.312 175.226 174.900 0.024 0.000 0.997 227 G CA -0.171 44.943 45.100 0.023 0.000 0.640 227 G HN 0.592 nan 8.290 nan 0.000 0.496 228 T N 3.319 117.886 114.554 0.021 0.000 2.792 228 T HA 0.348 4.698 4.350 0.000 0.000 0.286 228 T C 0.716 175.436 174.700 0.034 0.000 0.970 228 T CA 0.523 62.632 62.100 0.016 0.000 1.187 228 T CB 0.657 69.532 68.868 0.012 0.000 0.915 228 T HN 0.465 nan 8.240 nan 0.000 0.529 229 Q N 1.825 121.636 119.800 0.017 0.000 2.417 229 Q HA 0.173 4.513 4.340 0.000 0.000 0.241 229 Q C 1.421 177.433 176.000 0.020 0.000 1.008 229 Q CA -0.357 55.474 55.803 0.047 0.000 0.901 229 Q CB 0.416 29.143 28.738 -0.019 0.000 1.259 229 Q HN 0.854 nan 8.270 nan 0.000 0.489 230 F N 0.200 120.157 119.950 0.012 0.000 2.161 230 F HA -0.235 4.292 4.527 -0.000 0.000 0.300 230 F C 1.514 177.324 175.800 0.018 0.000 1.089 230 F CA 1.237 59.247 58.000 0.015 0.000 1.282 230 F CB -0.266 38.744 39.000 0.016 0.000 1.010 230 F HN 0.487 nan 8.300 nan 0.000 0.485 231 N N 0.814 119.006 118.700 -0.846 0.000 2.459 231 N HA -0.124 4.616 4.740 0.000 0.000 0.181 231 N C 0.440 175.810 175.510 -0.235 0.000 1.046 231 N CA 1.120 53.829 53.050 -0.568 0.000 0.904 231 N CB -0.128 37.937 38.487 -0.704 0.000 0.964 231 N HN 0.551 nan 8.380 nan 0.000 0.444 232 E N -0.352 119.743 120.200 -0.176 0.000 2.624 232 E HA 0.159 4.509 4.350 0.000 0.000 0.210 232 E C -0.606 175.969 176.600 -0.041 0.000 0.997 232 E CA -0.321 56.026 56.400 -0.089 0.000 0.999 232 E CB 0.535 30.186 29.700 -0.081 0.000 1.040 232 E HN 0.077 nan 8.360 nan 0.000 0.469 233 L N 1.633 122.847 121.223 -0.015 0.000 2.360 233 L HA 0.300 4.640 4.340 0.000 0.000 0.276 233 L C -0.320 176.559 176.870 0.015 0.000 1.121 233 L CA -0.112 54.741 54.840 0.022 0.000 0.845 233 L CB 0.404 42.507 42.059 0.072 0.000 1.143 233 L HN -0.222 nan 8.230 nan 0.000 0.452 234 K N 3.145 123.545 120.400 -0.000 0.000 2.208 234 K HA 0.720 5.040 4.320 0.000 0.000 0.247 234 K C 0.112 176.699 176.600 -0.021 0.000 0.953 234 K CA -0.148 56.123 56.287 -0.026 0.000 0.837 234 K CB 1.657 34.128 32.500 -0.048 0.000 1.131 234 K HN 0.680 nan 8.250 nan 0.000 0.431 235 G N 0.225 108.992 108.800 -0.055 0.000 2.631 235 G HA2 0.330 4.290 3.960 0.000 0.000 0.271 235 G HA3 0.330 4.290 3.960 0.000 0.000 0.271 235 G C -0.105 174.782 174.900 -0.022 0.000 1.302 235 G CA -0.284 44.797 45.100 -0.031 0.000 1.002 235 G HN 0.636 nan 8.290 nan 0.000 0.519 236 G N -2.143 106.654 108.800 -0.005 0.000 2.569 236 G HA2 0.432 4.392 3.960 0.000 0.000 0.249 236 G HA3 0.432 4.392 3.960 0.000 0.000 0.249 236 G C -0.564 174.334 174.900 -0.003 0.000 1.216 236 G CA -0.264 44.838 45.100 0.003 0.000 0.845 236 G HN 0.623 nan 8.290 nan 0.000 0.568 237 V N 1.923 121.855 119.914 0.030 0.000 2.459 237 V HA 0.419 4.539 4.120 0.000 0.000 0.295 237 V C 0.023 176.133 176.094 0.027 0.000 1.029 237 V CA -0.463 61.870 62.300 0.054 0.000 0.874 237 V CB 1.501 33.419 31.823 0.160 0.000 0.985 237 V HN 0.572 nan 8.190 nan 0.000 0.438 238 I N 4.151 124.706 120.570 -0.025 0.000 2.437 238 I HA 0.493 4.663 4.170 0.000 0.000 0.279 238 I C 0.865 176.918 176.117 -0.106 0.000 1.028 238 I CA -0.181 61.064 61.300 -0.092 0.000 1.142 238 I CB 1.569 39.495 38.000 -0.123 0.000 1.266 238 I HN 0.743 nan 8.210 nan 0.000 0.461 239 G N 3.339 112.086 108.800 -0.089 0.000 2.580 239 G HA2 0.751 4.711 3.960 0.000 0.000 0.278 239 G HA3 0.751 4.711 3.960 0.000 0.000 0.278 239 G C 0.121 174.916 174.900 -0.175 0.000 1.212 239 G CA 0.337 45.380 45.100 -0.096 0.000 0.939 239 G HN 0.874 nan 8.290 nan 0.000 0.513 240 G N -1.555 107.123 108.800 -0.204 0.000 2.366 240 G HA2 0.453 4.413 3.960 0.000 0.000 0.190 240 G HA3 0.453 4.413 3.960 0.000 0.000 0.190 240 G C -0.773 173.986 174.900 -0.236 0.000 1.299 240 G CA 0.556 45.529 45.100 -0.212 0.000 1.056 240 G HN 1.611 nan 8.290 nan 0.000 0.468 241 S N -0.897 114.672 115.700 -0.218 0.000 2.543 241 S HA 0.585 5.055 4.470 0.000 0.000 0.271 241 S C -1.141 173.355 174.600 -0.173 0.000 1.148 241 S CA -0.572 57.520 58.200 -0.180 0.000 0.914 241 S CB 0.916 64.029 63.200 -0.144 0.000 1.096 241 S HN 1.030 nan 8.310 nan 0.000 0.471 242 I N 5.773 126.277 120.570 -0.110 0.000 2.379 242 I HA 0.309 4.479 4.170 0.000 0.000 0.290 242 I C 1.438 177.515 176.117 -0.067 0.000 1.063 242 I CA -0.047 61.215 61.300 -0.063 0.000 1.351 242 I CB 0.390 38.428 38.000 0.063 0.000 1.410 242 I HN 0.752 nan 8.210 nan 0.000 0.505 243 I N 2.758 123.252 120.570 -0.127 0.000 3.228 243 I HA 0.206 4.376 4.170 0.000 0.000 0.279 243 I C 0.401 176.455 176.117 -0.105 0.000 1.221 243 I CA 0.269 61.480 61.300 -0.148 0.000 1.458 243 I CB -0.056 37.779 38.000 -0.275 0.000 1.105 243 I HN 0.766 nan 8.210 nan 0.000 0.445 244 Q N 0.725 120.473 119.800 -0.087 0.000 2.647 244 Q HA 0.535 4.875 4.340 0.000 0.000 0.283 244 Q C -0.164 175.807 176.000 -0.049 0.000 0.943 244 Q CA -0.507 55.257 55.803 -0.064 0.000 0.813 244 Q CB 1.320 30.025 28.738 -0.054 0.000 1.477 244 Q HN 0.353 nan 8.270 nan 0.000 0.393 245 G N 0.556 109.313 108.800 -0.072 0.000 2.645 245 G HA2 -0.070 3.890 3.960 0.000 0.000 0.239 245 G HA3 -0.070 3.890 3.960 0.000 0.000 0.239 245 G C -0.773 174.079 174.900 -0.081 0.000 1.331 245 G CA -0.067 44.970 45.100 -0.106 0.000 0.890 245 G HN 1.625 nan 8.290 nan 0.000 0.572 246 L N -3.379 117.755 121.223 -0.147 0.000 2.472 246 L HA 0.890 5.230 4.340 0.000 0.000 0.260 246 L C -0.847 175.924 176.870 -0.165 0.000 0.963 246 L CA -1.391 53.424 54.840 -0.042 0.000 0.829 246 L CB 1.688 43.742 42.059 -0.008 0.000 1.348 246 L HN 0.600 nan 8.230 nan 0.000 0.408 247 F N 1.286 121.242 119.950 0.010 0.000 2.518 247 F HA 0.824 5.351 4.527 -0.000 0.000 0.338 247 F C -0.086 175.741 175.800 0.044 0.000 1.065 247 F CA -0.363 57.650 58.000 0.020 0.000 1.012 247 F CB 1.833 40.839 39.000 0.010 0.000 1.297 247 F HN 0.633 nan 8.300 nan 0.000 0.489 248 K N -1.339 119.214 120.400 0.256 0.000 2.639 248 K HA 0.463 4.783 4.320 0.000 0.000 0.279 248 K C -1.897 174.795 176.600 0.154 0.000 0.976 248 K CA -1.018 55.374 56.287 0.175 0.000 0.861 248 K CB 1.006 33.578 32.500 0.120 0.000 1.436 248 K HN 0.269 nan 8.250 nan 0.000 0.400 249 V N 1.988 121.981 119.914 0.132 0.000 2.953 249 V HA -0.099 4.021 4.120 0.000 0.000 0.304 249 V C 0.974 177.139 176.094 0.117 0.000 1.138 249 V CA 1.579 63.949 62.300 0.118 0.000 1.266 249 V CB 0.034 31.917 31.823 0.100 0.000 0.923 249 V HN 1.131 nan 8.190 nan 0.000 0.505 250 D N 0.314 120.795 120.400 0.136 0.000 2.911 250 D HA -0.187 4.453 4.640 0.000 0.000 0.199 250 D C 0.530 176.898 176.300 0.114 0.000 1.041 250 D CA 1.697 55.776 54.000 0.131 0.000 1.013 250 D CB -0.764 40.094 40.800 0.097 0.000 1.093 250 D HN 0.840 nan 8.370 nan 0.000 0.431 251 Q N 0.565 120.441 119.800 0.126 0.000 2.288 251 Q HA 0.257 4.597 4.340 0.000 0.000 0.254 251 Q C -0.403 175.680 176.000 0.138 0.000 0.932 251 Q CA -0.132 55.741 55.803 0.117 0.000 0.902 251 Q CB 0.687 29.502 28.738 0.128 0.000 1.203 251 Q HN 0.203 nan 8.270 nan 0.000 0.415 252 E N 4.397 124.666 120.200 0.115 0.000 2.229 252 E HA 0.255 4.605 4.350 0.000 0.000 0.283 252 E C -0.160 176.542 176.600 0.169 0.000 1.030 252 E CA -0.127 56.353 56.400 0.134 0.000 0.836 252 E CB 0.769 30.530 29.700 0.102 0.000 1.068 252 E HN 0.509 nan 8.360 nan 0.000 0.401 253 I N -0.588 120.099 120.570 0.195 0.000 3.617 253 I HA 0.624 4.794 4.170 0.000 0.000 0.283 253 I C -0.919 175.293 176.117 0.158 0.000 1.160 253 I CA -1.229 60.188 61.300 0.195 0.000 1.084 253 I CB 1.920 40.045 38.000 0.209 0.000 1.365 253 I HN 0.341 nan 8.210 nan 0.000 0.494 254 K N 0.529 120.956 120.400 0.045 0.000 2.569 254 K HA 0.588 4.908 4.320 0.000 0.000 0.259 254 K C -2.026 174.488 176.600 -0.142 0.000 0.932 254 K CA -0.860 55.329 56.287 -0.163 0.000 0.833 254 K CB 2.079 34.298 32.500 -0.469 0.000 1.340 254 K HN 0.430 nan 8.250 nan 0.000 0.429 255 V N 3.694 123.508 119.914 -0.168 0.000 2.465 255 V HA 0.403 4.523 4.120 0.000 0.000 0.279 255 V C -0.112 175.908 176.094 -0.124 0.000 1.045 255 V CA -0.666 61.563 62.300 -0.118 0.000 0.938 255 V CB 0.770 32.538 31.823 -0.092 0.000 0.986 255 V HN 0.596 nan 8.190 nan 0.000 0.467 256 L N 5.919 127.090 121.223 -0.087 0.000 2.342 256 L HA 0.455 4.795 4.340 0.000 0.000 0.271 256 L C -1.783 175.045 176.870 -0.069 0.000 1.008 256 L CA -1.760 53.036 54.840 -0.073 0.000 0.818 256 L CB 2.426 44.456 42.059 -0.047 0.000 1.296 256 L HN 0.360 nan 8.230 nan 0.000 0.427 257 P HA 0.035 nan 4.420 nan 0.000 0.217 257 P C 0.575 177.879 177.300 0.005 0.000 1.154 257 P CA 0.809 63.851 63.100 -0.097 0.000 0.841 257 P CB 0.426 31.963 31.700 -0.271 0.000 0.788 258 G N -1.946 106.899 108.800 0.074 0.000 2.247 258 G HA2 0.049 4.009 3.960 0.000 0.000 0.229 258 G HA3 0.049 4.009 3.960 0.000 0.000 0.229 258 G C -1.887 173.128 174.900 0.192 0.000 1.345 258 G CA -0.770 44.387 45.100 0.094 0.000 1.100 258 G HN 0.117 nan 8.290 nan 0.000 0.473 259 L N 0.417 121.668 121.223 0.047 0.000 2.333 259 L HA 0.629 4.969 4.340 0.000 0.000 0.269 259 L C 0.900 177.450 176.870 -0.533 0.000 1.010 259 L CA -0.953 53.827 54.840 -0.101 0.000 0.818 259 L CB 2.042 44.062 42.059 -0.066 0.000 1.306 259 L HN 0.668 nan 8.230 nan 0.000 0.430 260 R N 1.218 121.286 120.500 -0.720 0.000 2.484 260 R HA 0.253 4.593 4.340 0.000 0.000 0.293 260 R C -1.266 174.799 176.300 -0.392 0.000 1.023 260 R CA -0.077 55.486 56.100 -0.895 0.000 1.037 260 R CB 0.430 30.486 30.300 -0.407 0.000 0.951 260 R HN 0.342 nan 8.270 nan 0.000 0.418 261 V N 5.256 124.985 119.914 -0.309 0.000 2.376 261 V HA 0.157 4.277 4.120 0.000 0.000 0.287 261 V C -0.664 175.401 176.094 -0.047 0.000 1.015 261 V CA -0.611 61.617 62.300 -0.120 0.000 0.834 261 V CB 1.604 33.386 31.823 -0.069 0.000 1.001 261 V HN 0.792 nan 8.190 nan 0.000 0.428 262 E N 2.935 123.117 120.200 -0.030 0.000 2.434 262 E HA 0.209 4.559 4.350 0.000 0.000 0.243 262 E C -0.223 176.377 176.600 -0.001 0.000 1.250 262 E CA -0.568 55.829 56.400 -0.006 0.000 1.568 262 E CB -0.167 29.529 29.700 -0.005 0.000 1.435 262 E HN 0.680 nan 8.360 nan 0.000 0.432 263 K N 1.310 121.713 120.400 0.005 0.000 2.379 263 K HA 0.044 4.364 4.320 0.000 0.000 0.284 263 K C -0.006 176.598 176.600 0.007 0.000 1.044 263 K CA -0.480 55.811 56.287 0.007 0.000 0.974 263 K CB 0.062 32.570 32.500 0.012 0.000 0.962 263 K HN 0.204 nan 8.250 nan 0.000 0.474 264 Q N 1.354 121.156 119.800 0.004 0.000 2.429 264 Q HA -0.336 4.004 4.340 0.000 0.000 0.365 264 Q C 0.534 176.534 176.000 -0.001 0.000 1.384 264 Q CA 0.634 56.438 55.803 0.002 0.000 1.089 264 Q CB -2.479 26.262 28.738 0.004 0.000 1.264 264 Q HN 1.251 nan 8.270 nan 0.000 0.342 265 G N 1.098 109.895 108.800 -0.005 0.000 4.269 265 G HA2 -0.373 3.587 3.960 0.000 0.000 0.290 265 G HA3 -0.373 3.587 3.960 0.000 0.000 0.290 265 G C -0.210 174.680 174.900 -0.017 0.000 1.570 265 G CA 0.195 45.288 45.100 -0.011 0.000 1.072 265 G HN 0.560 nan 8.290 nan 0.000 0.681 266 K N 1.353 121.742 120.400 -0.019 0.000 2.436 266 K HA 0.476 4.796 4.320 0.000 0.000 0.275 266 K C 0.596 177.192 176.600 -0.007 0.000 0.999 266 K CA 0.592 56.861 56.287 -0.030 0.000 0.980 266 K CB 1.354 33.838 32.500 -0.026 0.000 0.919 266 K HN 1.279 nan 8.250 nan 0.000 0.484 267 V N -0.828 119.077 119.914 -0.015 0.000 2.769 267 V HA 0.862 4.982 4.120 0.000 0.000 0.312 267 V C -0.274 175.937 176.094 0.195 0.000 1.058 267 V CA -0.583 61.754 62.300 0.061 0.000 0.952 267 V CB 1.798 33.663 31.823 0.070 0.000 1.019 267 V HN 0.868 nan 8.190 nan 0.000 0.445 268 S N 2.394 118.266 115.700 0.287 0.000 2.776 268 S HA 0.759 5.229 4.470 0.000 0.000 0.292 268 S C -1.647 173.166 174.600 0.355 0.000 1.187 268 S CA -0.732 57.763 58.200 0.492 0.000 0.834 268 S CB 1.548 64.933 63.200 0.310 0.000 1.199 268 S HN 0.782 nan 8.310 nan 0.000 0.514 269 Y N 0.965 121.356 120.300 0.151 0.000 2.338 269 Y HA 0.511 5.062 4.550 0.000 0.000 0.328 269 Y C 0.100 176.007 175.900 0.012 0.000 0.965 269 Y CA -0.557 57.557 58.100 0.022 0.000 1.208 269 Y CB 1.414 39.803 38.460 -0.118 0.000 1.132 269 Y HN 0.736 nan 8.280 nan 0.000 0.469 270 E N 5.993 126.238 120.200 0.076 0.000 2.200 270 E HA 0.307 4.657 4.350 0.000 0.000 0.283 270 E C -2.644 173.969 176.600 0.022 0.000 1.015 270 E CA -1.937 54.503 56.400 0.067 0.000 0.819 270 E CB 1.218 30.957 29.700 0.066 0.000 1.081 270 E HN 0.333 nan 8.360 nan 0.000 0.397 271 P HA 0.083 nan 4.420 nan 0.000 0.269 271 P C -0.533 176.596 177.300 -0.285 0.000 1.217 271 P CA 0.282 63.250 63.100 -0.221 0.000 0.783 271 P CB 0.410 31.855 31.700 -0.425 0.000 0.898 272 I N 1.800 122.185 120.570 -0.309 0.000 2.330 272 I HA 0.289 4.459 4.170 0.000 0.000 0.286 272 I C -0.211 175.767 176.117 -0.232 0.000 1.025 272 I CA -0.516 60.679 61.300 -0.174 0.000 1.197 272 I CB 0.149 38.106 38.000 -0.072 0.000 1.358 272 I HN 0.140 nan 8.210 nan 0.000 0.467 273 F N 4.584 124.555 119.950 0.035 0.000 2.410 273 F HA 0.512 5.039 4.527 0.000 0.000 0.348 273 F C 0.881 176.708 175.800 0.045 0.000 1.106 273 F CA 0.054 58.078 58.000 0.039 0.000 1.163 273 F CB 1.407 40.426 39.000 0.031 0.000 1.129 273 F HN 0.410 nan 8.300 nan 0.000 0.516 274 T N 1.477 116.163 114.554 0.220 0.000 2.618 274 T HA 0.590 4.940 4.350 0.000 0.000 0.286 274 T C -1.157 173.653 174.700 0.183 0.000 1.027 274 T CA -1.343 60.864 62.100 0.178 0.000 1.063 274 T CB 2.054 71.006 68.868 0.139 0.000 1.440 274 T HN 0.326 nan 8.240 nan 0.000 0.505 275 K N -0.023 120.511 120.400 0.224 0.000 2.512 275 K HA 0.627 4.947 4.320 0.000 0.000 0.263 275 K C -1.020 175.751 176.600 0.286 0.000 0.966 275 K CA -0.784 55.646 56.287 0.239 0.000 0.851 275 K CB 2.215 34.828 32.500 0.187 0.000 1.395 275 K HN 0.427 nan 8.250 nan 0.000 0.440 276 I N 0.962 121.662 120.570 0.217 0.000 2.575 276 I HA 0.015 4.185 4.170 0.000 0.000 0.285 276 I C 1.055 177.254 176.117 0.137 0.000 1.085 276 I CA 0.301 61.687 61.300 0.144 0.000 1.403 276 I CB 1.548 39.627 38.000 0.132 0.000 1.409 276 I HN 0.731 nan 8.210 nan 0.000 0.557 277 S N 3.262 118.959 115.700 -0.006 0.000 2.891 277 S HA 0.138 4.608 4.470 0.000 0.000 0.247 277 S C 0.423 175.000 174.600 -0.039 0.000 1.063 277 S CA 0.405 58.543 58.200 -0.104 0.000 0.857 277 S CB 0.316 63.295 63.200 -0.369 0.000 0.800 277 S HN 0.787 nan 8.310 nan 0.000 0.540 278 S N 1.539 117.216 115.700 -0.039 0.000 2.547 278 S HA 0.712 5.182 4.470 0.000 0.000 0.281 278 S C -1.070 173.534 174.600 0.006 0.000 1.118 278 S CA -0.890 57.306 58.200 -0.006 0.000 0.947 278 S CB 1.427 64.612 63.200 -0.025 0.000 1.053 278 S HN 0.286 nan 8.310 nan 0.000 0.482 279 I N 2.530 123.134 120.570 0.057 0.000 2.404 279 I HA 0.578 4.748 4.170 0.000 0.000 0.293 279 I C 0.157 176.351 176.117 0.127 0.000 0.992 279 I CA -0.509 60.830 61.300 0.064 0.000 1.149 279 I CB 1.661 39.755 38.000 0.156 0.000 1.315 279 I HN 0.908 nan 8.210 nan 0.000 0.446 280 R N 5.997 126.507 120.500 0.017 0.000 2.569 280 R HA 0.396 4.736 4.340 0.000 0.000 0.293 280 R C -2.099 174.187 176.300 -0.023 0.000 1.186 280 R CA -0.439 55.732 56.100 0.118 0.000 0.956 280 R CB 1.125 31.462 30.300 0.063 0.000 1.196 280 R HN 0.346 nan 8.270 nan 0.000 0.444 281 F N 4.388 124.434 119.950 0.159 0.000 2.404 281 F HA 0.378 4.905 4.527 -0.000 0.000 0.358 281 F C 1.490 177.411 175.800 0.202 0.000 1.120 281 F CA 1.341 59.377 58.000 0.061 0.000 1.144 281 F CB 1.749 40.605 39.000 -0.240 0.000 1.133 281 F HN 0.937 nan 8.300 nan 0.000 0.495 282 G N 3.503 112.505 108.800 0.337 0.000 2.846 282 G HA2 -0.376 3.584 3.960 0.000 0.000 0.317 282 G HA3 -0.376 3.584 3.960 0.000 0.000 0.317 282 G C 0.827 175.844 174.900 0.195 0.000 1.210 282 G CA 0.724 45.998 45.100 0.289 0.000 0.972 282 G HN 0.504 nan 8.290 nan 0.000 0.567 283 D N 1.262 121.781 120.400 0.198 0.000 2.470 283 D HA 0.212 4.852 4.640 0.000 0.000 0.238 283 D C 0.797 177.180 176.300 0.137 0.000 1.054 283 D CA 0.545 54.624 54.000 0.132 0.000 0.896 283 D CB 0.176 41.034 40.800 0.096 0.000 1.118 283 D HN 0.525 nan 8.370 nan 0.000 0.497 284 E N 1.511 121.841 120.200 0.217 0.000 2.319 284 E HA 0.219 4.569 4.350 0.000 0.000 0.268 284 E C 0.278 176.973 176.600 0.160 0.000 1.050 284 E CA -0.122 56.352 56.400 0.123 0.000 0.878 284 E CB 1.530 31.252 29.700 0.036 0.000 1.066 284 E HN 0.047 nan 8.360 nan 0.000 0.406 285 E N 1.569 121.742 120.200 -0.047 0.000 2.227 285 E HA 0.351 4.701 4.350 0.000 0.000 0.282 285 E C -0.577 175.925 176.600 -0.164 0.000 1.015 285 E CA -0.210 56.199 56.400 0.016 0.000 0.823 285 E CB 0.696 30.388 29.700 -0.013 0.000 1.081 285 E HN 0.272 nan 8.360 nan 0.000 0.396 286 F N 1.386 121.401 119.950 0.109 0.000 2.618 286 F HA 0.265 4.792 4.527 0.000 0.000 0.332 286 F C 1.555 177.415 175.800 0.101 0.000 1.061 286 F CA -0.775 57.298 58.000 0.122 0.000 0.974 286 F CB 1.282 40.404 39.000 0.204 0.000 1.310 286 F HN 0.222 nan 8.300 nan 0.000 0.491 287 K N -0.186 120.384 120.400 0.283 0.000 2.367 287 K HA 0.309 4.629 4.320 0.000 0.000 0.195 287 K C -0.486 176.228 176.600 0.190 0.000 1.060 287 K CA 0.541 56.936 56.287 0.181 0.000 1.022 287 K CB 0.569 33.140 32.500 0.118 0.000 0.894 287 K HN 0.728 nan 8.250 nan 0.000 0.540 288 E N 0.165 120.508 120.200 0.237 0.000 2.367 288 E HA 0.610 4.960 4.350 0.000 0.000 0.273 288 E C -1.580 175.165 176.600 0.241 0.000 0.903 288 E CA -0.997 55.523 56.400 0.201 0.000 0.764 288 E CB 2.346 32.131 29.700 0.142 0.000 1.252 288 E HN 0.189 nan 8.360 nan 0.000 0.446 289 A N 2.617 125.585 122.820 0.247 0.000 2.763 289 A HA 0.349 4.669 4.320 0.000 0.000 0.325 289 A C -0.629 177.103 177.584 0.247 0.000 1.209 289 A CA -0.659 51.570 52.037 0.320 0.000 0.764 289 A CB 0.166 19.324 19.000 0.264 0.000 1.120 289 A HN 0.407 nan 8.150 nan 0.000 0.463 290 K N 1.673 122.142 120.400 0.115 0.000 2.090 290 K HA 0.484 4.804 4.320 0.000 0.000 0.250 290 K C -2.668 173.952 176.600 0.034 0.000 1.004 290 K CA -1.955 54.361 56.287 0.048 0.000 0.919 290 K CB 0.638 33.118 32.500 -0.034 0.000 1.045 290 K HN 0.284 nan 8.250 nan 0.000 0.471 291 P HA -0.001 nan 4.420 nan 0.000 0.266 291 P C -0.623 176.647 177.300 -0.050 0.000 1.193 291 P CA 0.495 63.589 63.100 -0.010 0.000 0.770 291 P CB 0.434 32.108 31.700 -0.044 0.000 0.836 292 G N 0.779 109.566 108.800 -0.022 0.000 3.400 292 G HA2 0.494 4.454 3.960 0.000 0.000 0.679 292 G HA3 0.494 4.454 3.960 0.000 0.000 0.679 292 G C -0.182 174.728 174.900 0.018 0.000 1.239 292 G CA 0.015 45.085 45.100 -0.050 0.000 1.049 292 G HN 0.862 nan 8.290 nan 0.000 0.539 293 G N -0.047 108.811 108.800 0.097 0.000 2.787 293 G HA2 0.175 4.135 3.960 0.000 0.000 0.685 293 G HA3 0.175 4.135 3.960 0.000 0.000 0.685 293 G C 0.017 175.007 174.900 0.151 0.000 1.437 293 G CA -0.258 45.008 45.100 0.276 0.000 0.872 293 G HN 1.599 nan 8.290 nan 0.000 0.566 294 L N 0.268 121.264 121.223 -0.378 0.000 2.290 294 L HA 0.592 4.932 4.340 0.000 0.000 0.284 294 L C 0.952 177.508 176.870 -0.524 0.000 1.078 294 L CA -0.829 53.647 54.840 -0.607 0.000 0.815 294 L CB 1.198 42.602 42.059 -1.090 0.000 1.162 294 L HN 0.595 nan 8.230 nan 0.000 0.435 295 V N 3.295 122.865 119.914 -0.573 0.000 2.667 295 V HA 0.821 4.941 4.120 0.000 0.000 0.308 295 V C -0.215 175.578 176.094 -0.501 0.000 1.048 295 V CA -0.403 61.352 62.300 -0.908 0.000 0.928 295 V CB 1.929 33.096 31.823 -1.093 0.000 1.004 295 V HN 0.846 nan 8.190 nan 0.000 0.444 296 A N 7.082 129.646 122.820 -0.426 0.000 2.303 296 A HA 0.797 5.117 4.320 0.000 0.000 0.320 296 A C -0.941 176.525 177.584 -0.196 0.000 1.192 296 A CA -0.575 51.333 52.037 -0.215 0.000 0.821 296 A CB 0.687 19.616 19.000 -0.119 0.000 1.188 296 A HN 0.620 nan 8.150 nan 0.000 0.492 297 I N 2.861 123.337 120.570 -0.157 0.000 2.362 297 I HA 0.368 4.538 4.170 0.000 0.000 0.289 297 I C 0.916 176.981 176.117 -0.086 0.000 0.994 297 I CA -0.296 60.922 61.300 -0.138 0.000 1.158 297 I CB 0.868 38.755 38.000 -0.187 0.000 1.315 297 I HN 0.717 nan 8.210 nan 0.000 0.451 298 G N 4.483 113.239 108.800 -0.073 0.000 2.415 298 G HA2 0.590 4.550 3.960 0.000 0.000 0.269 298 G HA3 0.590 4.550 3.960 0.000 0.000 0.269 298 G C 0.033 174.879 174.900 -0.091 0.000 1.209 298 G CA -0.018 45.035 45.100 -0.080 0.000 0.835 298 G HN 0.692 nan 8.290 nan 0.000 0.534 299 T N -1.663 112.826 114.554 -0.109 0.000 2.716 299 T HA 0.410 4.760 4.350 0.000 0.000 0.286 299 T C -0.286 174.315 174.700 -0.165 0.000 1.052 299 T CA -0.694 61.361 62.100 -0.074 0.000 1.024 299 T CB 1.283 70.155 68.868 0.007 0.000 1.349 299 T HN 0.307 nan 8.240 nan 0.000 0.525 300 Y N 0.004 120.320 120.300 0.028 0.000 2.658 300 Y HA 0.495 5.045 4.550 -0.000 0.000 0.276 300 Y C 0.509 176.428 175.900 0.032 0.000 1.167 300 Y CA -0.656 57.464 58.100 0.032 0.000 1.230 300 Y CB -0.001 38.482 38.460 0.038 0.000 1.144 300 Y HN 0.269 nan 8.280 nan 0.000 0.529 301 L N 0.494 121.789 121.223 0.119 0.000 2.436 301 L HA 0.099 4.439 4.340 0.000 0.000 0.265 301 L C 0.342 177.252 176.870 0.066 0.000 1.168 301 L CA -0.482 54.409 54.840 0.085 0.000 0.815 301 L CB 0.546 42.633 42.059 0.047 0.000 1.109 301 L HN 0.123 nan 8.230 nan 0.000 0.462 302 D N 3.246 123.682 120.400 0.060 0.000 2.434 302 D HA 0.027 4.667 4.640 0.000 0.000 0.252 302 D C -1.759 174.561 176.300 0.033 0.000 1.185 302 D CA -1.211 52.818 54.000 0.048 0.000 0.886 302 D CB 1.141 41.967 40.800 0.042 0.000 1.148 302 D HN 0.155 nan 8.370 nan 0.000 0.483 303 P HA -0.072 nan 4.420 nan 0.000 0.226 303 P C 0.580 177.892 177.300 0.019 0.000 1.146 303 P CA 0.706 63.821 63.100 0.025 0.000 0.773 303 P CB 0.226 31.944 31.700 0.030 0.000 0.772 304 S N -1.377 114.335 115.700 0.019 0.000 2.561 304 S HA 0.086 4.556 4.470 0.000 0.000 0.225 304 S C 1.554 176.157 174.600 0.005 0.000 0.977 304 S CA 0.587 58.795 58.200 0.013 0.000 0.926 304 S CB -0.532 62.677 63.200 0.015 0.000 0.769 304 S HN 0.189 nan 8.310 nan 0.000 0.533 305 L N 0.994 122.220 121.223 0.004 0.000 2.286 305 L HA 0.073 4.413 4.340 0.000 0.000 0.203 305 L C 2.340 179.198 176.870 -0.019 0.000 1.068 305 L CA 1.167 56.004 54.840 -0.005 0.000 0.811 305 L CB -0.577 41.483 42.059 0.001 0.000 0.989 305 L HN 0.327 nan 8.230 nan 0.000 0.467 306 T N -2.382 112.160 114.554 -0.020 0.000 3.278 306 T HA 0.046 4.396 4.350 0.000 0.000 0.251 306 T C 0.496 175.166 174.700 -0.050 0.000 1.039 306 T CA -0.342 61.731 62.100 -0.044 0.000 0.935 306 T CB -0.231 68.615 68.868 -0.037 0.000 1.034 306 T HN 0.029 nan 8.240 nan 0.000 0.575 307 K N 1.282 121.664 120.400 -0.030 0.000 2.249 307 K HA 0.496 4.816 4.320 0.000 0.000 0.280 307 K C 0.699 177.273 176.600 -0.045 0.000 1.033 307 K CA 0.152 56.427 56.287 -0.020 0.000 0.946 307 K CB 0.220 32.720 32.500 -0.001 0.000 1.005 307 K HN 0.289 nan 8.250 nan 0.000 0.469 308 A N 4.164 126.957 122.820 -0.044 0.000 2.640 308 A HA -0.188 4.132 4.320 0.000 0.000 0.300 308 A C -0.190 177.331 177.584 -0.104 0.000 1.499 308 A CA 1.273 53.276 52.037 -0.057 0.000 0.759 308 A CB -2.019 16.966 19.000 -0.025 0.000 1.048 308 A HN 1.087 nan 8.150 nan 0.000 0.450 309 D N -1.696 118.596 120.400 -0.181 0.000 2.870 309 D HA -0.210 4.430 4.640 0.000 0.000 0.228 309 D C 0.586 176.810 176.300 -0.127 0.000 1.147 309 D CA 1.414 55.293 54.000 -0.201 0.000 0.757 309 D CB -1.843 38.842 40.800 -0.193 0.000 1.091 309 D HN 0.935 nan 8.370 nan 0.000 0.429 310 N N -0.423 118.218 118.700 -0.098 0.000 2.573 310 N HA -0.124 4.616 4.740 0.000 0.000 0.187 310 N C 1.035 176.505 175.510 -0.067 0.000 1.107 310 N CA 0.392 53.404 53.050 -0.063 0.000 0.918 310 N CB 0.118 38.579 38.487 -0.042 0.000 0.966 310 N HN 0.122 nan 8.380 nan 0.000 0.448 311 L N 0.680 121.844 121.223 -0.099 0.000 2.693 311 L HA 0.248 4.588 4.340 0.000 0.000 0.235 311 L C -0.158 176.645 176.870 -0.112 0.000 1.127 311 L CA -0.064 54.718 54.840 -0.098 0.000 0.914 311 L CB -0.133 41.861 42.059 -0.109 0.000 1.193 311 L HN 0.147 nan 8.230 nan 0.000 0.502 312 L N 0.922 122.072 121.223 -0.122 0.000 2.584 312 L HA 0.436 4.776 4.340 0.000 0.000 0.272 312 L C 1.161 177.979 176.870 -0.087 0.000 1.195 312 L CA 1.294 56.063 54.840 -0.118 0.000 0.920 312 L CB -0.190 41.797 42.059 -0.119 0.000 1.173 312 L HN 0.385 nan 8.230 nan 0.000 0.489 313 G N 2.406 111.155 108.800 -0.084 0.000 2.424 313 G HA2 -0.237 3.723 3.960 0.000 0.000 0.207 313 G HA3 -0.237 3.723 3.960 0.000 0.000 0.207 313 G C 0.488 175.352 174.900 -0.061 0.000 1.061 313 G CA 0.031 45.093 45.100 -0.063 0.000 0.657 313 G HN 0.835 nan 8.290 nan 0.000 0.508 314 S N 1.184 116.841 115.700 -0.072 0.000 2.569 314 S HA 0.521 4.991 4.470 0.000 0.000 0.274 314 S C 0.469 175.021 174.600 -0.079 0.000 1.353 314 S CA 0.777 58.935 58.200 -0.070 0.000 1.023 314 S CB 0.629 63.786 63.200 -0.072 0.000 0.876 314 S HN 1.275 nan 8.310 nan 0.000 0.540 315 I N -0.920 119.610 120.570 -0.066 0.000 2.646 315 I HA 0.684 4.854 4.170 0.000 0.000 0.299 315 I C -1.060 175.007 176.117 -0.083 0.000 1.036 315 I CA -1.066 60.178 61.300 -0.093 0.000 1.074 315 I CB 1.415 39.370 38.000 -0.075 0.000 1.258 315 I HN 0.430 nan 8.210 nan 0.000 0.430 316 I N 4.030 124.535 120.570 -0.108 0.000 2.441 316 I HA 0.559 4.729 4.170 0.000 0.000 0.295 316 I C 0.122 176.281 176.117 0.071 0.000 0.994 316 I CA -0.334 60.931 61.300 -0.058 0.000 1.144 316 I CB 2.193 40.112 38.000 -0.135 0.000 1.314 316 I HN 0.865 nan 8.210 nan 0.000 0.445 317 T N 2.991 117.618 114.554 0.122 0.000 2.864 317 T HA 0.498 4.848 4.350 0.000 0.000 0.289 317 T C -0.244 174.568 174.700 0.186 0.000 1.082 317 T CA -0.968 61.245 62.100 0.187 0.000 1.009 317 T CB 1.271 70.196 68.868 0.095 0.000 1.234 317 T HN 0.182 nan 8.240 nan 0.000 0.526 318 L N 1.439 122.723 121.223 0.102 0.000 2.506 318 L HA 0.220 4.560 4.340 0.000 0.000 0.281 318 L C 2.146 179.098 176.870 0.137 0.000 1.228 318 L CA 0.541 55.433 54.840 0.088 0.000 0.850 318 L CB 0.220 42.275 42.059 -0.006 0.000 1.110 318 L HN 1.140 nan 8.230 nan 0.000 0.496 319 A N 3.377 126.312 122.820 0.192 0.000 1.948 319 A HA -0.207 4.113 4.320 0.000 0.000 0.220 319 A C 1.171 178.943 177.584 0.313 0.000 1.177 319 A CA 1.928 54.172 52.037 0.345 0.000 0.636 319 A CB -0.641 18.565 19.000 0.342 0.000 0.815 319 A HN 0.882 nan 8.150 nan 0.000 0.449 320 D N -0.654 119.842 120.400 0.161 0.000 2.358 320 D HA 0.503 5.143 4.640 0.000 0.000 0.224 320 D C 0.508 176.862 176.300 0.090 0.000 1.123 320 D CA 0.319 54.386 54.000 0.111 0.000 0.833 320 D CB -0.201 40.632 40.800 0.055 0.000 0.946 320 D HN 0.461 nan 8.370 nan 0.000 0.505 321 A N 0.923 123.802 122.820 0.099 0.000 2.327 321 A HA 0.366 4.686 4.320 0.000 0.000 0.255 321 A C 0.468 178.099 177.584 0.079 0.000 1.099 321 A CA -0.449 51.631 52.037 0.071 0.000 0.801 321 A CB 0.406 19.445 19.000 0.065 0.000 1.062 321 A HN 0.159 nan 8.150 nan 0.000 0.496 322 E N 1.131 121.371 120.200 0.066 0.000 3.167 322 E HA 0.340 4.690 4.350 0.000 0.000 0.212 322 E C -1.346 175.292 176.600 0.064 0.000 1.143 322 E CA -0.271 56.167 56.400 0.063 0.000 1.002 322 E CB 0.504 30.235 29.700 0.051 0.000 1.315 322 E HN 0.221 nan 8.360 nan 0.000 0.422 323 V N 2.503 122.458 119.914 0.069 0.000 2.370 323 V HA 0.299 4.419 4.120 0.000 0.000 0.283 323 V C -2.103 174.019 176.094 0.046 0.000 1.023 323 V CA -1.969 60.375 62.300 0.072 0.000 0.857 323 V CB 1.265 33.147 31.823 0.098 0.000 0.985 323 V HN 0.263 nan 8.190 nan 0.000 0.443 324 P HA 0.202 nan 4.420 nan 0.000 0.271 324 P C -0.808 176.485 177.300 -0.012 0.000 1.226 324 P CA 0.140 63.246 63.100 0.011 0.000 0.765 324 P CB 0.951 32.650 31.700 -0.002 0.000 0.835 325 V N 6.078 125.979 119.914 -0.022 0.000 2.483 325 V HA 0.680 4.800 4.120 0.000 0.000 0.297 325 V C -0.794 175.243 176.094 -0.095 0.000 1.027 325 V CA -0.583 61.668 62.300 -0.081 0.000 0.855 325 V CB 0.750 32.512 31.823 -0.101 0.000 0.995 325 V HN 0.448 nan 8.190 nan 0.000 0.424 326 L N 3.088 124.229 121.223 -0.138 0.000 2.341 326 L HA 0.798 5.138 4.340 0.000 0.000 0.254 326 L C -0.074 176.700 176.870 -0.161 0.000 1.040 326 L CA -0.779 54.026 54.840 -0.058 0.000 0.837 326 L CB 1.725 43.807 42.059 0.037 0.000 1.425 326 L HN 0.587 nan 8.230 nan 0.000 0.414 327 W N -0.317 120.964 121.300 -0.031 0.000 2.984 327 W HA 0.171 4.831 4.660 -0.000 0.000 0.288 327 W C 0.637 177.137 176.519 -0.030 0.000 1.016 327 W CA 0.763 58.086 57.345 -0.037 0.000 1.835 327 W CB -0.682 28.767 29.460 -0.018 0.000 1.201 327 W HN 0.653 nan 8.180 nan 0.000 0.529 328 N N 2.744 121.603 118.700 0.264 0.000 2.438 328 N HA 0.198 4.938 4.740 0.000 0.000 0.267 328 N C -0.547 175.008 175.510 0.076 0.000 1.222 328 N CA 0.118 53.244 53.050 0.126 0.000 0.930 328 N CB -0.220 38.320 38.487 0.087 0.000 1.083 328 N HN 0.155 nan 8.380 nan 0.000 0.476 329 I N -0.938 119.658 120.570 0.045 0.000 3.842 329 I HA 0.579 4.749 4.170 0.000 0.000 0.273 329 I C 0.458 176.584 176.117 0.015 0.000 1.348 329 I CA -1.001 60.310 61.300 0.018 0.000 0.948 329 I CB 0.523 38.524 38.000 0.001 0.000 1.534 329 I HN 0.590 nan 8.210 nan 0.000 0.656 330 R N 0.702 121.205 120.500 0.006 0.000 2.837 330 R HA 0.461 4.801 4.340 0.000 0.000 0.245 330 R C -1.671 174.637 176.300 0.013 0.000 1.712 330 R CA -0.489 55.617 56.100 0.010 0.000 1.539 330 R CB 0.151 30.454 30.300 0.005 0.000 1.490 330 R HN 0.589 nan 8.270 nan 0.000 0.667 331 I N 3.431 124.017 120.570 0.027 0.000 2.556 331 I HA 0.007 4.177 4.170 0.000 0.000 0.284 331 I C 0.585 176.747 176.117 0.076 0.000 1.114 331 I CA 0.285 61.612 61.300 0.046 0.000 1.418 331 I CB 1.076 39.110 38.000 0.057 0.000 1.394 331 I HN 0.295 nan 8.210 nan 0.000 0.552 332 K N 7.517 127.940 120.400 0.039 0.000 2.403 332 K HA 0.231 4.551 4.320 0.000 0.000 0.235 332 K C -0.603 175.947 176.600 -0.084 0.000 1.142 332 K CA -0.652 55.624 56.287 -0.018 0.000 1.114 332 K CB -0.273 32.193 32.500 -0.056 0.000 1.777 332 K HN 0.483 nan 8.250 nan 0.000 0.424 333 Y N 0.132 120.350 120.300 -0.138 0.000 2.394 333 Y HA 0.111 4.661 4.550 0.001 0.000 0.351 333 Y C 0.121 175.805 175.900 -0.361 0.000 1.272 333 Y CA -0.246 57.713 58.100 -0.235 0.000 1.508 333 Y CB 0.273 38.621 38.460 -0.186 0.000 1.369 333 Y HN 0.218 nan 8.280 nan 0.000 0.639 334 N N 0.259 118.584 118.700 -0.624 0.000 2.257 334 N HA 0.141 4.881 4.740 0.000 0.000 0.200 334 N C -0.747 174.495 175.510 -0.448 0.000 1.163 334 N CA 0.204 52.814 53.050 -0.732 0.000 0.891 334 N CB 0.094 37.938 38.487 -1.072 0.000 1.067 334 N HN 0.695 nan 8.380 nan 0.000 0.497 335 L N -0.441 120.643 121.223 -0.232 0.000 0.649 335 L HA -0.238 4.102 4.340 0.000 0.000 0.356 335 L C -0.926 175.897 176.870 -0.080 0.000 1.024 335 L CA 0.341 55.167 54.840 -0.023 0.000 1.223 335 L CB -0.371 41.801 42.059 0.189 0.000 0.103 335 L HN 0.112 nan 8.230 nan 0.000 0.101 336 L N 0.318 121.561 121.223 0.033 0.000 2.330 336 L HA 0.513 4.853 4.340 0.000 0.000 0.271 336 L C 0.825 177.734 176.870 0.065 0.000 1.013 336 L CA 0.356 55.248 54.840 0.088 0.000 0.816 336 L CB 1.565 43.697 42.059 0.122 0.000 1.287 336 L HN 0.746 nan 8.230 nan 0.000 0.435 337 E N 1.642 121.889 120.200 0.079 0.000 2.162 337 E HA 0.222 4.572 4.350 0.000 0.000 0.193 337 E C -0.367 176.269 176.600 0.061 0.000 0.953 337 E CA 0.793 57.230 56.400 0.062 0.000 0.849 337 E CB 0.438 30.178 29.700 0.065 0.000 0.810 337 E HN 0.512 nan 8.360 nan 0.000 0.470 338 R N 0.225 120.771 120.500 0.075 0.000 2.575 338 R HA 0.346 4.686 4.340 0.000 0.000 0.292 338 R C -1.484 174.862 176.300 0.076 0.000 1.246 338 R CA -0.504 55.637 56.100 0.069 0.000 0.973 338 R CB 2.110 32.452 30.300 0.071 0.000 1.187 338 R HN -0.115 nan 8.270 nan 0.000 0.478 339 V N 4.130 124.083 119.914 0.065 0.000 2.387 339 V HA 0.056 4.176 4.120 0.000 0.000 0.260 339 V C 0.611 176.743 176.094 0.063 0.000 1.054 339 V CA -0.360 61.980 62.300 0.067 0.000 0.967 339 V CB 1.152 33.008 31.823 0.057 0.000 1.036 339 V HN 0.457 nan 8.190 nan 0.000 0.481 340 V N 5.734 125.690 119.914 0.071 0.000 2.302 340 V HA 0.407 4.527 4.120 0.000 0.000 0.244 340 V C 1.237 177.369 176.094 0.063 0.000 1.160 340 V CA 1.065 63.404 62.300 0.066 0.000 1.127 340 V CB -0.120 31.748 31.823 0.075 0.000 1.253 340 V HN 1.034 nan 8.190 nan 0.000 0.496 341 G N 2.007 110.839 108.800 0.054 0.000 2.351 341 G HA2 0.371 4.331 3.960 0.000 0.000 0.169 341 G HA3 0.371 4.331 3.960 0.000 0.000 0.169 341 G C 0.681 175.605 174.900 0.040 0.000 1.484 341 G CA 0.765 45.897 45.100 0.052 0.000 0.715 341 G HN 0.717 nan 8.290 nan 0.000 1.084 342 A N 1.091 123.932 122.820 0.035 0.000 3.983 342 A HA 0.540 4.860 4.320 0.000 0.000 0.161 342 A C 1.752 179.350 177.584 0.023 0.000 1.632 342 A CA 1.427 53.480 52.037 0.026 0.000 1.257 342 A CB -0.388 18.625 19.000 0.023 0.000 1.295 342 A HN 0.162 nan 8.150 nan 0.000 0.522 343 K N -0.838 119.574 120.400 0.020 0.000 1.984 343 K HA -0.084 4.236 4.320 0.000 0.000 0.219 343 K C 1.902 178.514 176.600 0.019 0.000 1.033 343 K CA 1.703 58.000 56.287 0.017 0.000 0.983 343 K CB -0.338 32.171 32.500 0.014 0.000 0.762 343 K HN 0.658 nan 8.250 nan 0.000 0.445 344 E N -0.586 119.626 120.200 0.020 0.000 2.046 344 E HA 0.080 4.430 4.350 0.000 0.000 0.199 344 E C 1.195 177.814 176.600 0.031 0.000 0.948 344 E CA 0.491 56.904 56.400 0.022 0.000 0.876 344 E CB 0.303 30.015 29.700 0.019 0.000 0.901 344 E HN 0.223 nan 8.360 nan 0.000 0.479 345 M N -0.717 118.903 119.600 0.035 0.000 2.405 345 M HA 0.286 4.766 4.480 0.000 0.000 0.268 345 M C -0.125 176.199 176.300 0.041 0.000 1.368 345 M CA -0.604 54.723 55.300 0.044 0.000 1.595 345 M CB 0.491 33.123 32.600 0.053 0.000 1.655 345 M HN 0.049 nan 8.290 nan 0.000 0.841 346 L N -0.013 121.237 121.223 0.045 0.000 6.828 346 L HA -0.360 3.980 4.340 0.000 0.000 0.053 346 L C 0.247 177.138 176.870 0.035 0.000 1.638 346 L CA 0.855 55.718 54.840 0.039 0.000 1.687 346 L CB -1.003 41.075 42.059 0.031 0.000 2.704 346 L HN 0.834 nan 8.230 nan 0.000 1.061 347 K N -0.402 120.014 120.400 0.027 0.000 3.851 347 K HA -0.101 4.219 4.320 0.000 0.000 0.284 347 K C -0.935 175.678 176.600 0.020 0.000 1.048 347 K CA 0.927 57.227 56.287 0.021 0.000 0.862 347 K CB -1.227 31.286 32.500 0.022 0.000 1.439 347 K HN 0.845 nan 8.250 nan 0.000 0.446 348 V N -1.000 118.925 119.914 0.018 0.000 3.156 348 V HA 0.922 5.042 4.120 0.000 0.000 0.310 348 V C -0.735 175.363 176.094 0.006 0.000 1.234 348 V CA -0.157 62.152 62.300 0.015 0.000 1.065 348 V CB 2.444 34.282 31.823 0.025 0.000 1.088 348 V HN 0.467 nan 8.190 nan 0.000 0.451 349 D N -1.101 119.300 120.400 0.001 0.000 2.769 349 D HA 0.418 5.058 4.640 0.000 0.000 0.219 349 D C -3.347 172.950 176.300 -0.005 0.000 1.245 349 D CA -1.076 52.921 54.000 -0.004 0.000 0.801 349 D CB 1.562 42.354 40.800 -0.013 0.000 1.598 349 D HN 0.489 nan 8.370 nan 0.000 0.485 350 P HA 0.187 nan 4.420 nan 0.000 0.265 350 P C 0.250 177.538 177.300 -0.020 0.000 1.193 350 P CA -0.111 62.998 63.100 0.015 0.000 0.765 350 P CB 0.457 32.170 31.700 0.022 0.000 0.823 351 I N 3.160 123.696 120.570 -0.056 0.000 2.741 351 I HA -0.080 4.090 4.170 0.000 0.000 0.288 351 I C 1.746 177.811 176.117 -0.086 0.000 1.192 351 I CA 0.097 61.318 61.300 -0.133 0.000 1.426 351 I CB 0.038 37.847 38.000 -0.318 0.000 1.367 351 I HN 0.484 nan 8.210 nan 0.000 0.563 352 R N 6.334 126.786 120.500 -0.080 0.000 2.900 352 R HA 0.610 4.950 4.340 0.000 0.000 0.198 352 R C 0.656 176.920 176.300 -0.060 0.000 1.053 352 R CA -0.212 55.853 56.100 -0.057 0.000 1.132 352 R CB -0.103 30.167 30.300 -0.051 0.000 1.041 352 R HN 0.569 nan 8.270 nan 0.000 0.499 353 A N 0.433 123.225 122.820 -0.048 0.000 3.893 353 A HA 0.151 4.471 4.320 0.000 0.000 0.178 353 A C 0.076 177.631 177.584 -0.048 0.000 1.767 353 A CA -0.123 51.889 52.037 -0.042 0.000 1.675 353 A CB -0.464 18.517 19.000 -0.030 0.000 1.358 353 A HN 0.594 nan 8.150 nan 0.000 0.477 354 K N 1.722 122.099 120.400 -0.039 0.000 2.121 354 K HA 0.084 4.404 4.320 0.000 0.000 0.235 354 K C -0.592 175.981 176.600 -0.044 0.000 1.200 354 K CA 0.101 56.365 56.287 -0.038 0.000 1.115 354 K CB -0.573 31.910 32.500 -0.028 0.000 1.474 354 K HN 0.612 nan 8.250 nan 0.000 0.295 355 E N 0.949 121.114 120.200 -0.057 0.000 2.191 355 E HA 0.195 4.545 4.350 0.000 0.000 0.274 355 E C -0.933 175.624 176.600 -0.072 0.000 0.948 355 E CA -0.995 55.365 56.400 -0.066 0.000 0.802 355 E CB 1.298 30.951 29.700 -0.079 0.000 1.137 355 E HN 0.010 nan 8.360 nan 0.000 0.397 356 T N 3.913 118.423 114.554 -0.074 0.000 2.769 356 T HA 0.292 4.642 4.350 0.000 0.000 0.293 356 T C -0.005 174.624 174.700 -0.117 0.000 0.931 356 T CA -0.170 61.884 62.100 -0.077 0.000 1.139 356 T CB -0.340 68.487 68.868 -0.068 0.000 0.881 356 T HN 0.437 nan 8.240 nan 0.000 0.532 357 L N 0.987 122.151 121.223 -0.098 0.000 2.192 357 L HA 0.860 5.200 4.340 0.000 0.000 0.250 357 L C -0.640 176.195 176.870 -0.058 0.000 1.114 357 L CA -1.260 53.507 54.840 -0.122 0.000 1.065 357 L CB 1.111 43.106 42.059 -0.106 0.000 1.609 357 L HN 0.407 nan 8.230 nan 0.000 0.495 358 M N 1.706 121.297 119.600 -0.015 0.000 2.215 358 M HA 0.472 4.952 4.480 0.000 0.000 0.251 358 M C -2.120 174.227 176.300 0.078 0.000 0.987 358 M CA -0.244 55.104 55.300 0.080 0.000 1.025 358 M CB 1.290 34.030 32.600 0.233 0.000 2.064 358 M HN 0.655 nan 8.290 nan 0.000 0.473 359 L N 2.356 123.610 121.223 0.052 0.000 2.456 359 L HA 0.612 4.952 4.340 0.000 0.000 0.257 359 L C 0.648 177.550 176.870 0.053 0.000 1.162 359 L CA -0.032 54.835 54.840 0.045 0.000 0.808 359 L CB 1.117 43.190 42.059 0.023 0.000 1.136 359 L HN 0.756 nan 8.230 nan 0.000 0.466 360 S N 0.255 115.985 115.700 0.050 0.000 2.673 360 S HA 0.551 5.021 4.470 0.000 0.000 0.256 360 S C -1.220 173.401 174.600 0.036 0.000 1.141 360 S CA -0.535 57.690 58.200 0.042 0.000 1.109 360 S CB 0.610 63.840 63.200 0.050 0.000 1.101 360 S HN 0.273 nan 8.310 nan 0.000 0.471 361 V N 5.186 125.114 119.914 0.024 0.000 2.394 361 V HA 0.704 4.824 4.120 0.000 0.000 0.282 361 V C 1.524 177.659 176.094 0.069 0.000 1.031 361 V CA 0.817 63.135 62.300 0.030 0.000 0.881 361 V CB 0.630 32.448 31.823 -0.009 0.000 0.982 361 V HN 1.251 nan 8.190 nan 0.000 0.451 362 G N 5.224 114.093 108.800 0.115 0.000 2.793 362 G HA2 -0.390 3.570 3.960 0.000 0.000 0.334 362 G HA3 -0.390 3.570 3.960 0.000 0.000 0.334 362 G C 1.221 176.151 174.900 0.050 0.000 1.186 362 G CA 1.105 46.289 45.100 0.139 0.000 0.960 362 G HN 0.995 nan 8.290 nan 0.000 0.562 363 S N 0.149 115.865 115.700 0.025 0.000 2.549 363 S HA 0.397 4.867 4.470 0.000 0.000 0.225 363 S C 1.210 175.801 174.600 -0.015 0.000 1.039 363 S CA 1.145 59.337 58.200 -0.012 0.000 0.942 363 S CB -0.331 62.844 63.200 -0.041 0.000 0.881 363 S HN 1.815 nan 8.310 nan 0.000 0.503 364 S N 2.201 117.897 115.700 -0.006 0.000 2.549 364 S HA 0.433 4.903 4.470 0.000 0.000 0.279 364 S C -0.096 174.500 174.600 -0.008 0.000 1.321 364 S CA -0.061 58.126 58.200 -0.021 0.000 1.054 364 S CB 0.850 64.028 63.200 -0.037 0.000 0.899 364 S HN 0.435 nan 8.310 nan 0.000 0.497 365 T N -0.415 114.135 114.554 -0.006 0.000 2.930 365 T HA 0.514 4.864 4.350 0.000 0.000 0.313 365 T C -0.413 174.304 174.700 0.028 0.000 1.019 365 T CA -0.630 61.483 62.100 0.022 0.000 1.004 365 T CB 1.112 70.000 68.868 0.032 0.000 0.987 365 T HN 0.722 nan 8.240 nan 0.000 0.456 366 T N 2.658 117.231 114.554 0.031 0.000 2.895 366 T HA 0.528 4.878 4.350 0.000 0.000 0.283 366 T C 0.391 175.129 174.700 0.063 0.000 1.014 366 T CA -0.900 61.220 62.100 0.034 0.000 1.037 366 T CB 0.489 69.360 68.868 0.005 0.000 1.006 366 T HN 0.474 nan 8.240 nan 0.000 0.468 367 L N 4.183 125.450 121.223 0.073 0.000 2.715 367 L HA 0.350 4.691 4.340 0.000 0.000 0.238 367 L C 1.632 178.533 176.870 0.051 0.000 1.212 367 L CA -0.135 54.750 54.840 0.074 0.000 1.017 367 L CB -0.724 41.388 42.059 0.087 0.000 1.269 367 L HN 0.766 nan 8.230 nan 0.000 0.452 368 G N 0.528 109.357 108.800 0.048 0.000 2.313 368 G HA2 0.291 4.251 3.960 0.000 0.000 0.250 368 G HA3 0.291 4.251 3.960 0.000 0.000 0.250 368 G C 0.047 174.957 174.900 0.018 0.000 1.281 368 G CA -0.309 44.817 45.100 0.044 0.000 0.917 368 G HN 0.202 nan 8.290 nan 0.000 0.501 369 I N 2.674 123.251 120.570 0.012 0.000 2.325 369 I HA 0.081 4.251 4.170 0.000 0.000 0.291 369 I C 0.818 176.925 176.117 -0.016 0.000 1.019 369 I CA -0.574 60.720 61.300 -0.011 0.000 1.302 369 I CB 1.533 39.526 38.000 -0.012 0.000 1.401 369 I HN 0.232 nan 8.210 nan 0.000 0.485 370 V N 7.005 126.898 119.914 -0.035 0.000 2.872 370 V HA 0.001 4.121 4.120 0.000 0.000 0.307 370 V C 0.883 176.957 176.094 -0.033 0.000 1.072 370 V CA 1.013 63.288 62.300 -0.041 0.000 1.148 370 V CB 1.370 33.148 31.823 -0.075 0.000 0.954 370 V HN 0.982 nan 8.190 nan 0.000 0.490 371 T N 3.916 118.455 114.554 -0.025 0.000 3.391 371 T HA 0.195 4.545 4.350 0.000 0.000 0.233 371 T C 0.460 175.149 174.700 -0.019 0.000 0.960 371 T CA 0.609 62.698 62.100 -0.019 0.000 1.342 371 T CB 0.098 68.960 68.868 -0.010 0.000 1.124 371 T HN 0.886 nan 8.240 nan 0.000 0.396 372 S N 0.897 116.590 115.700 -0.012 0.000 2.593 372 S HA 0.767 5.237 4.470 0.000 0.000 0.297 372 S C -0.926 173.675 174.600 0.001 0.000 1.112 372 S CA -0.675 57.521 58.200 -0.005 0.000 1.043 372 S CB 1.866 65.067 63.200 0.001 0.000 1.054 372 S HN 0.141 nan 8.310 nan 0.000 0.516 373 V N 2.010 121.931 119.914 0.012 0.000 2.668 373 V HA 0.507 4.627 4.120 0.000 0.000 0.304 373 V C 0.303 176.430 176.094 0.055 0.000 1.071 373 V CA -0.667 61.659 62.300 0.043 0.000 0.894 373 V CB 1.703 33.535 31.823 0.015 0.000 1.008 373 V HN 1.085 nan 8.190 nan 0.000 0.425 374 K N 3.672 124.120 120.400 0.081 0.000 3.784 374 K HA 0.397 4.717 4.320 0.000 0.000 0.226 374 K C 1.208 177.830 176.600 0.037 0.000 1.180 374 K CA 0.204 56.516 56.287 0.041 0.000 1.557 374 K CB 0.598 33.107 32.500 0.014 0.000 2.225 374 K HN 0.524 nan 8.250 nan 0.000 0.479 375 K N -1.041 119.347 120.400 -0.021 0.000 2.485 375 K HA 0.078 4.398 4.320 0.000 0.000 0.200 375 K C 0.331 176.710 176.600 -0.368 0.000 1.352 375 K CA 0.766 56.978 56.287 -0.125 0.000 0.953 375 K CB 0.654 33.080 32.500 -0.124 0.000 1.387 375 K HN 0.137 nan 8.250 nan 0.000 0.512 376 D N 0.284 120.528 120.400 -0.260 0.000 3.165 376 D HA 0.037 4.677 4.640 0.000 0.000 0.264 376 D C -0.597 175.684 176.300 -0.033 0.000 1.363 376 D CA 0.009 53.803 54.000 -0.345 0.000 1.166 376 D CB 0.428 41.072 40.800 -0.260 0.000 1.291 376 D HN 0.073 nan 8.370 nan 0.000 0.390 377 E N 1.928 122.120 120.200 -0.014 0.000 2.406 377 E HA 0.117 4.467 4.350 0.000 0.000 0.247 377 E C -0.076 176.568 176.600 0.072 0.000 1.160 377 E CA 0.252 56.669 56.400 0.028 0.000 0.950 377 E CB -0.034 29.668 29.700 0.002 0.000 0.993 377 E HN 0.406 nan 8.360 nan 0.000 0.472 378 I N -0.523 120.103 120.570 0.094 0.000 2.569 378 I HA 0.433 4.603 4.170 0.000 0.000 0.296 378 I C -0.341 175.794 176.117 0.030 0.000 1.028 378 I CA -1.124 60.214 61.300 0.064 0.000 1.082 378 I CB 2.038 40.069 38.000 0.052 0.000 1.264 378 I HN 0.057 nan 8.210 nan 0.000 0.429 379 E N 5.600 125.808 120.200 0.014 0.000 2.133 379 E HA 0.497 4.847 4.350 0.000 0.000 0.274 379 E C -1.062 175.542 176.600 0.005 0.000 0.930 379 E CA -0.686 55.721 56.400 0.012 0.000 0.770 379 E CB 2.734 32.440 29.700 0.011 0.000 1.104 379 E HN 0.497 nan 8.360 nan 0.000 0.403 380 V N 2.380 122.301 119.914 0.011 0.000 2.483 380 V HA 0.135 4.255 4.120 0.000 0.000 0.297 380 V C 0.011 176.126 176.094 0.035 0.000 1.027 380 V CA -0.975 61.331 62.300 0.011 0.000 0.855 380 V CB 1.738 33.562 31.823 0.001 0.000 0.995 380 V HN 0.538 nan 8.190 nan 0.000 0.424 381 E N 5.300 125.523 120.200 0.038 0.000 1.932 381 E HA 0.321 4.671 4.350 0.000 0.000 0.275 381 E C -0.574 176.083 176.600 0.095 0.000 1.159 381 E CA -0.050 56.391 56.400 0.068 0.000 0.905 381 E CB 0.087 29.810 29.700 0.038 0.000 1.059 381 E HN 0.597 nan 8.360 nan 0.000 0.400 382 L N 4.906 126.210 121.223 0.136 0.000 2.397 382 L HA 0.308 4.648 4.340 0.000 0.000 0.271 382 L C 1.642 178.652 176.870 0.232 0.000 1.148 382 L CA -0.395 54.523 54.840 0.129 0.000 0.825 382 L CB 0.765 42.864 42.059 0.066 0.000 1.117 382 L HN 0.572 nan 8.230 nan 0.000 0.456 383 R N 0.993 121.596 120.500 0.173 0.000 2.153 383 R HA 0.034 4.374 4.340 0.000 0.000 0.218 383 R C 0.668 177.131 176.300 0.271 0.000 1.072 383 R CA 0.778 57.018 56.100 0.233 0.000 0.990 383 R CB 0.072 30.460 30.300 0.147 0.000 0.889 383 R HN 0.484 nan 8.270 nan 0.000 0.452 384 R N 1.273 121.796 120.500 0.037 0.000 2.439 384 R HA 0.292 4.632 4.340 0.000 0.000 0.310 384 R C -2.682 173.306 176.300 -0.520 0.000 0.955 384 R CA -2.273 53.659 56.100 -0.280 0.000 0.853 384 R CB 1.551 31.725 30.300 -0.210 0.000 1.171 384 R HN -0.186 nan 8.270 nan 0.000 0.449 385 P HA -0.058 nan 4.420 nan 0.000 0.269 385 P C -1.121 175.843 177.300 -0.560 0.000 1.217 385 P CA -0.251 62.247 63.100 -1.004 0.000 0.783 385 P CB 0.620 31.440 31.700 -1.466 0.000 0.898 386 V N -2.062 117.633 119.914 -0.365 0.000 2.709 386 V HA 0.849 4.969 4.120 0.000 0.000 0.308 386 V C -0.501 175.499 176.094 -0.156 0.000 1.062 386 V CA -1.385 60.786 62.300 -0.214 0.000 0.901 386 V CB 1.460 33.200 31.823 -0.138 0.000 1.003 386 V HN 0.624 nan 8.190 nan 0.000 0.425 387 A N 3.709 126.476 122.820 -0.088 0.000 2.304 387 A HA 0.851 5.171 4.320 0.000 0.000 0.301 387 A C -0.306 177.273 177.584 -0.009 0.000 1.132 387 A CA -0.606 51.415 52.037 -0.026 0.000 0.819 387 A CB 1.328 20.346 19.000 0.030 0.000 1.094 387 A HN 1.545 nan 8.150 nan 0.000 0.492 388 V N 2.677 122.562 119.914 -0.049 0.000 2.380 388 V HA 0.181 4.301 4.120 0.000 0.000 0.286 388 V C 0.468 176.495 176.094 -0.112 0.000 1.015 388 V CA -0.658 61.516 62.300 -0.210 0.000 0.834 388 V CB 0.355 32.032 31.823 -0.243 0.000 1.009 388 V HN 1.191 nan 8.190 nan 0.000 0.428 389 W N 3.655 124.947 121.300 -0.014 0.000 2.423 389 W HA 0.083 4.744 4.660 0.001 0.000 0.321 389 W C 1.674 178.191 176.519 -0.003 0.000 1.180 389 W CA 1.386 58.728 57.345 -0.006 0.000 1.322 389 W CB -0.867 28.592 29.460 -0.001 0.000 1.174 389 W HN 0.459 nan 8.180 nan 0.000 0.470 390 S N 0.631 116.156 115.700 -0.292 0.000 2.354 390 S HA 0.126 4.596 4.470 0.000 0.000 0.209 390 S C 1.020 175.500 174.600 -0.201 0.000 1.248 390 S CA 0.437 58.579 58.200 -0.097 0.000 1.211 390 S CB -0.208 63.017 63.200 0.042 0.000 0.896 390 S HN 0.475 nan 8.310 nan 0.000 0.447 391 N N -1.150 117.452 118.700 -0.162 0.000 2.218 391 N HA 0.202 4.942 4.740 0.000 0.000 0.224 391 N C -0.855 174.573 175.510 -0.136 0.000 1.248 391 N CA -0.303 52.666 53.050 -0.135 0.000 0.875 391 N CB -0.090 38.358 38.487 -0.065 0.000 1.165 391 N HN 0.286 nan 8.380 nan 0.000 0.485 392 N N 0.771 119.396 118.700 -0.124 0.000 2.949 392 N HA 0.359 5.099 4.740 0.000 0.000 0.243 392 N C -1.582 173.858 175.510 -0.117 0.000 1.113 392 N CA -0.364 52.637 53.050 -0.081 0.000 0.980 392 N CB 0.825 39.297 38.487 -0.024 0.000 1.256 392 N HN 0.115 nan 8.380 nan 0.000 0.508 393 I N 1.208 121.680 120.570 -0.163 0.000 2.436 393 I HA 0.317 4.487 4.170 0.000 0.000 0.289 393 I C 0.360 176.436 176.117 -0.068 0.000 1.010 393 I CA -0.520 60.664 61.300 -0.192 0.000 1.098 393 I CB 1.415 39.160 38.000 -0.425 0.000 1.266 393 I HN 0.231 nan 8.210 nan 0.000 0.434 394 R N 2.279 122.772 120.500 -0.011 0.000 2.549 394 R HA 0.814 5.154 4.340 0.000 0.000 0.259 394 R C -0.348 175.987 176.300 0.059 0.000 1.095 394 R CA -0.772 55.364 56.100 0.060 0.000 1.148 394 R CB 1.431 31.748 30.300 0.029 0.000 1.181 394 R HN 0.578 nan 8.270 nan 0.000 0.571 395 T N -0.027 114.600 114.554 0.121 0.000 3.548 395 T HA 0.213 4.563 4.350 0.000 0.000 0.329 395 T C -0.868 173.923 174.700 0.152 0.000 0.960 395 T CA -0.800 61.360 62.100 0.100 0.000 1.041 395 T CB 0.605 69.513 68.868 0.068 0.000 1.065 395 T HN 0.396 nan 8.240 nan 0.000 0.459 396 V N 5.146 125.130 119.914 0.117 0.000 2.637 396 V HA 0.611 4.731 4.120 0.000 0.000 0.296 396 V C 0.600 176.764 176.094 0.117 0.000 1.046 396 V CA -0.387 61.995 62.300 0.136 0.000 1.066 396 V CB -0.033 31.840 31.823 0.084 0.000 0.968 396 V HN 0.808 nan 8.190 nan 0.000 0.483 397 I N 3.101 123.744 120.570 0.122 0.000 2.918 397 I HA 0.624 4.794 4.170 0.000 0.000 0.316 397 I C 0.595 176.755 176.117 0.072 0.000 1.001 397 I CA -0.412 60.931 61.300 0.070 0.000 1.142 397 I CB 1.775 39.790 38.000 0.025 0.000 1.356 397 I HN 0.762 nan 8.210 nan 0.000 0.524 398 S N 1.284 117.004 115.700 0.033 0.000 2.777 398 S HA 0.208 4.679 4.470 0.000 0.000 0.140 398 S C 0.447 174.974 174.600 -0.121 0.000 1.233 398 S CA -0.804 57.407 58.200 0.018 0.000 1.157 398 S CB 0.016 63.319 63.200 0.171 0.000 1.600 398 S HN 0.724 nan 8.310 nan 0.000 0.432 399 R N 1.000 121.422 120.500 -0.129 0.000 2.328 399 R HA 0.205 4.545 4.340 0.000 0.000 0.200 399 R C 0.435 176.593 176.300 -0.237 0.000 0.983 399 R CA -0.063 55.934 56.100 -0.171 0.000 1.062 399 R CB -0.157 30.063 30.300 -0.133 0.000 0.956 399 R HN 0.298 nan 8.270 nan 0.000 0.479 400 Q N 1.397 121.011 119.800 -0.309 0.000 2.560 400 Q HA 0.304 4.644 4.340 0.000 0.000 0.238 400 Q C 0.249 175.765 176.000 -0.807 0.000 1.079 400 Q CA -0.145 55.432 55.803 -0.376 0.000 0.866 400 Q CB 0.777 29.387 28.738 -0.214 0.000 1.153 400 Q HN 0.313 nan 8.270 nan 0.000 0.530 401 I N 0.734 120.818 120.570 -0.809 0.000 3.035 401 I HA 0.131 4.301 4.170 0.000 0.000 0.271 401 I C 0.935 176.804 176.117 -0.413 0.000 1.190 401 I CA 0.334 60.978 61.300 -1.094 0.000 1.472 401 I CB 0.280 37.855 38.000 -0.708 0.000 1.116 401 I HN 0.570 nan 8.210 nan 0.000 0.443 402 A N 1.155 123.824 122.820 -0.251 0.000 3.105 402 A HA 0.602 4.922 4.320 0.000 0.000 0.272 402 A C 0.682 178.237 177.584 -0.048 0.000 1.466 402 A CA 0.429 52.414 52.037 -0.087 0.000 1.101 402 A CB -0.859 18.098 19.000 -0.071 0.000 1.065 402 A HN 0.468 nan 8.150 nan 0.000 0.643 403 G N -0.411 108.375 108.800 -0.023 0.000 2.609 403 G HA2 0.298 4.258 3.960 0.000 0.000 0.082 403 G HA3 0.298 4.258 3.960 0.000 0.000 0.082 403 G C -1.121 173.868 174.900 0.148 0.000 1.075 403 G CA -0.733 44.391 45.100 0.039 0.000 1.172 403 G HN 0.197 nan 8.290 nan 0.000 0.532 404 R N 0.230 120.804 120.500 0.123 0.000 2.265 404 R HA 0.340 4.680 4.340 0.000 0.000 0.319 404 R C -0.819 175.630 176.300 0.248 0.000 1.006 404 R CA -0.977 55.263 56.100 0.233 0.000 0.880 404 R CB 0.507 30.890 30.300 0.139 0.000 1.077 404 R HN 0.461 nan 8.270 nan 0.000 0.454 405 W N 4.889 126.204 121.300 0.026 0.000 1.992 405 W HA 0.250 4.911 4.660 0.000 0.000 0.449 405 W C 0.734 177.272 176.519 0.032 0.000 0.617 405 W CA -0.589 56.772 57.345 0.025 0.000 2.341 405 W CB -0.367 29.108 29.460 0.025 0.000 1.156 405 W HN 0.123 nan 8.180 nan 0.000 0.538 406 R N 0.415 121.033 120.500 0.198 0.000 2.863 406 R HA 0.094 4.434 4.340 0.000 0.000 0.273 406 R C 1.580 177.955 176.300 0.125 0.000 1.057 406 R CA -0.015 56.169 56.100 0.141 0.000 1.191 406 R CB 0.200 30.562 30.300 0.104 0.000 1.104 406 R HN 0.309 nan 8.270 nan 0.000 0.519 407 M N 1.342 121.007 119.600 0.108 0.000 2.213 407 M HA -0.067 4.413 4.480 0.000 0.000 0.263 407 M C 0.922 177.295 176.300 0.122 0.000 1.062 407 M CA 1.036 56.405 55.300 0.115 0.000 1.105 407 M CB -0.472 32.192 32.600 0.107 0.000 1.385 407 M HN 0.597 nan 8.290 nan 0.000 0.417 408 I N 0.035 120.667 120.570 0.104 0.000 3.815 408 I HA -0.259 3.911 4.170 0.000 0.000 0.126 408 I C 0.261 176.428 176.117 0.083 0.000 1.050 408 I CA 0.480 61.827 61.300 0.077 0.000 2.736 408 I CB -2.776 35.242 38.000 0.030 0.000 1.417 408 I HN 0.537 nan 8.210 nan 0.000 0.341 409 G N 2.337 111.233 108.800 0.161 0.000 2.566 409 G HA2 0.055 4.015 3.960 0.000 0.000 0.599 409 G HA3 0.055 4.015 3.960 0.000 0.000 0.599 409 G C -0.905 174.177 174.900 0.304 0.000 1.292 409 G CA -0.228 44.957 45.100 0.143 0.000 0.922 409 G HN 1.740 nan 8.290 nan 0.000 0.514 410 W N -1.018 120.330 121.300 0.079 0.000 3.901 410 W HA 0.631 5.292 4.660 0.001 0.000 0.274 410 W C 0.026 176.602 176.519 0.095 0.000 1.278 410 W CA -0.957 56.424 57.345 0.060 0.000 1.235 410 W CB 0.520 29.997 29.460 0.029 0.000 1.261 410 W HN 1.762 nan 8.180 nan 0.000 0.546 411 G N 1.254 110.206 108.800 0.253 0.000 3.016 411 G HA2 0.766 4.726 3.960 0.000 0.000 0.270 411 G HA3 0.766 4.726 3.960 0.000 0.000 0.270 411 G C -1.625 173.392 174.900 0.195 0.000 1.352 411 G CA -0.750 44.445 45.100 0.158 0.000 1.060 411 G HN 0.582 nan 8.290 nan 0.000 0.538 412 L N -2.178 119.107 121.223 0.103 0.000 2.876 412 L HA 0.813 5.153 4.340 0.000 0.000 0.227 412 L C -0.856 176.019 176.870 0.007 0.000 2.036 412 L CA -0.693 54.190 54.840 0.070 0.000 2.532 412 L CB 1.770 43.866 42.059 0.061 0.000 2.567 412 L HN 0.308 nan 8.230 nan 0.000 0.601 413 V N 0.075 119.974 119.914 -0.025 0.000 2.777 413 V HA 0.378 4.498 4.120 0.000 0.000 0.306 413 V C -0.554 175.511 176.094 -0.049 0.000 1.112 413 V CA -0.372 61.894 62.300 -0.056 0.000 0.917 413 V CB 1.748 33.501 31.823 -0.118 0.000 1.018 413 V HN 0.718 nan 8.190 nan 0.000 0.426 414 E N 4.130 124.306 120.200 -0.039 0.000 3.471 414 E HA 0.531 4.881 4.350 0.000 0.000 0.253 414 E C -0.126 176.456 176.600 -0.030 0.000 1.036 414 E CA 0.112 56.493 56.400 -0.031 0.000 0.924 414 E CB 0.314 30.002 29.700 -0.020 0.000 3.088 414 E HN 0.525 nan 8.360 nan 0.000 0.570 415 I N 0.000 120.559 120.570 -0.018 0.000 2.984 415 I HA 0.000 4.170 4.170 0.000 0.000 0.288 415 I CA 0.000 61.293 61.300 -0.011 0.000 1.566 415 I CB 0.000 37.998 38.000 -0.004 0.000 1.214 415 I HN 0.000 nan 8.210 nan 0.000 0.494