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 2zxc_1_A DATA FIRST_RESID 2 DATA SEQUENCE DLPYRFGLGK ADITGEAAEV GMMGYSSLEQ KTAGIHMRQW ARAFVIEEAA DATA SEQUENCE SGRRLVYVNT DLGMIFQAVH LKVLARLKAK YPGVYDENNV MLAATHTHSG DATA SEQUENCE PGGFSHYAMY NLSVLGFQEK TFNAIVDGIV RSIERAQARL QPGRLFYGSG DATA SEQUENCE ELRNASRNRS LLSHLKNPDI AGYEDGIDPQ MSVLSFVDAN GELAGAISWF DATA SEQUENCE PVHSTSMTNA NHLISPDNKG YASYHWEHDV SRKSGFVAAF AQTNAGNLSP DATA SEQUENCE NLNLKPGSGP FDNEFDNTRE IGLRQFAKAY EIAGQAQEEV LGELDSRFRF DATA SEQUENCE VDFTRLPIRP EFTDGQPRQL CTAAIGTSLA AGSTEDGPGP LGLEEGNNPF DATA SEQUENCE LSALGGLLTG VPPQELVQCQ AEKTILADTG NKKPYPWTPT VLPIQMFRIG DATA SEQUENCE QLELLGAPAE FTVMAGVRIR RAVQAASEAA GIRHVVFNGY ANAYASYVTT DATA SEQUENCE REEYAAQEYE GGSTLYGPWT QAAYQQLFVD MAVALRERLP VETSAIAPDL DATA SEQUENCE SCCQMNFQTG VVADDPYIGK SFGDVLQQPR ESYRIGDKVT VAFVTGHPKN DATA SEQUENCE DLRTEKTFLE VVNIGKDGKQ TPVTVATDND WDTQYRWERV GISASKATIS DATA SEQUENCE WSIPPGTEPG HYYIRHYGNA KNFWTQKISE IGGSTRSFEV LGT 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 D HA 0.000 nan 4.640 nan 0.000 0.175 2 D C 0.000 176.282 176.300 -0.029 0.000 2.045 2 D CA 0.000 53.986 54.000 -0.024 0.000 0.868 2 D CB 0.000 40.781 40.800 -0.032 0.000 0.688 3 L N 1.942 123.147 121.223 -0.030 0.000 2.344 3 L HA 0.442 4.782 4.340 -0.001 0.000 0.272 3 L C -0.869 175.949 176.870 -0.087 0.000 1.035 3 L CA -1.360 53.461 54.840 -0.032 0.000 0.807 3 L CB 1.696 43.761 42.059 0.011 0.000 1.237 3 L HN 0.348 nan 8.230 nan 0.000 0.442 4 P HA -0.106 nan 4.420 nan 0.000 0.217 4 P C -0.424 176.556 177.300 -0.532 0.000 1.151 4 P CA 1.446 64.298 63.100 -0.413 0.000 0.828 4 P CB 0.244 31.608 31.700 -0.559 0.000 0.788 5 Y N -1.376 118.946 120.300 0.037 0.000 2.665 5 Y HA 0.622 5.172 4.550 -0.001 0.000 0.336 5 Y C 0.782 176.721 175.900 0.066 0.000 1.085 5 Y CA -1.210 56.934 58.100 0.073 0.000 1.096 5 Y CB 1.507 40.050 38.460 0.137 0.000 1.301 5 Y HN -0.417 nan 8.280 nan 0.000 0.493 6 R N 0.973 121.637 120.500 0.274 0.000 2.686 6 R HA 0.643 4.982 4.340 -0.001 0.000 0.283 6 R C -1.917 174.492 176.300 0.181 0.000 0.978 6 R CA -0.754 55.385 56.100 0.063 0.000 0.897 6 R CB 2.031 32.337 30.300 0.009 0.000 1.192 6 R HN 0.560 nan 8.270 nan 0.000 0.457 7 F N -1.282 118.746 119.950 0.130 0.000 2.613 7 F HA 0.867 5.394 4.527 -0.001 0.000 0.310 7 F C -0.425 175.363 175.800 -0.020 0.000 1.085 7 F CA -1.438 56.620 58.000 0.097 0.000 0.945 7 F CB 1.818 40.959 39.000 0.236 0.000 1.298 7 F HN 0.494 nan 8.300 nan 0.000 0.455 8 G N 2.254 111.149 108.800 0.159 0.000 2.643 8 G HA2 0.631 4.590 3.960 -0.001 0.000 0.305 8 G HA3 0.631 4.590 3.960 -0.001 0.000 0.305 8 G C -1.984 172.829 174.900 -0.144 0.000 1.387 8 G CA -0.983 44.116 45.100 -0.001 0.000 0.982 8 G HN 0.791 nan 8.290 nan 0.000 0.501 9 L N 2.360 123.449 121.223 -0.224 0.000 2.298 9 L HA 0.732 5.071 4.340 -0.001 0.000 0.284 9 L C 0.638 177.281 176.870 -0.379 0.000 1.013 9 L CA -0.729 53.816 54.840 -0.491 0.000 0.824 9 L CB 1.861 43.595 42.059 -0.541 0.000 1.221 9 L HN 0.615 nan 8.230 nan 0.000 0.418 10 G N 2.286 110.841 108.800 -0.409 0.000 2.519 10 G HA2 0.665 4.624 3.960 -0.001 0.000 0.307 10 G HA3 0.665 4.624 3.960 -0.001 0.000 0.307 10 G C -1.650 173.108 174.900 -0.237 0.000 1.266 10 G CA -0.489 44.457 45.100 -0.256 0.000 0.970 10 G HN 0.465 nan 8.290 nan 0.000 0.481 11 K N -0.175 120.146 120.400 -0.131 0.000 2.513 11 K HA 0.687 5.006 4.320 -0.001 0.000 0.251 11 K C -1.212 175.449 176.600 0.102 0.000 0.939 11 K CA -0.651 55.613 56.287 -0.038 0.000 0.793 11 K CB 2.136 34.560 32.500 -0.127 0.000 1.241 11 K HN 0.847 nan 8.250 nan 0.000 0.431 12 A N 2.630 125.590 122.820 0.233 0.000 2.515 12 A HA 0.355 4.674 4.320 -0.001 0.000 0.298 12 A C -1.554 176.175 177.584 0.243 0.000 1.059 12 A CA -0.765 51.417 52.037 0.242 0.000 0.698 12 A CB 1.526 20.561 19.000 0.059 0.000 1.289 12 A HN 0.747 nan 8.150 nan 0.000 0.404 13 D N 1.166 121.556 120.400 -0.017 0.000 2.390 13 D HA 0.319 4.958 4.640 -0.001 0.000 0.249 13 D C 0.634 176.706 176.300 -0.380 0.000 1.144 13 D CA 0.289 53.933 54.000 -0.594 0.000 0.880 13 D CB 0.511 40.966 40.800 -0.574 0.000 1.182 13 D HN 0.568 nan 8.370 nan 0.000 0.451 14 I N -0.271 120.031 120.570 -0.447 0.000 3.994 14 I HA 0.193 4.363 4.170 -0.001 0.000 0.323 14 I C -0.011 175.912 176.117 -0.323 0.000 1.501 14 I CA -0.622 60.489 61.300 -0.315 0.000 1.112 14 I CB 0.413 38.261 38.000 -0.253 0.000 1.254 14 I HN -0.026 nan 8.210 nan 0.000 0.495 15 T N 2.563 116.898 114.554 -0.366 0.000 2.867 15 T HA 0.377 4.726 4.350 -0.001 0.000 0.297 15 T C 0.885 175.476 174.700 -0.181 0.000 0.989 15 T CA 0.474 62.416 62.100 -0.263 0.000 1.159 15 T CB 1.175 69.895 68.868 -0.246 0.000 0.928 15 T HN 0.550 nan 8.240 nan 0.000 0.538 16 G N 1.992 110.704 108.800 -0.145 0.000 2.543 16 G HA2 0.359 4.318 3.960 -0.001 0.000 0.267 16 G HA3 0.359 4.318 3.960 -0.001 0.000 0.267 16 G C -0.521 174.352 174.900 -0.046 0.000 1.406 16 G CA -0.869 44.166 45.100 -0.108 0.000 1.048 16 G HN 0.728 nan 8.290 nan 0.000 0.548 17 E N 0.074 120.253 120.200 -0.035 0.000 2.498 17 E HA 0.258 4.608 4.350 -0.001 0.000 0.252 17 E C 1.106 177.702 176.600 -0.007 0.000 1.025 17 E CA 0.165 56.555 56.400 -0.017 0.000 0.938 17 E CB 1.104 30.783 29.700 -0.035 0.000 0.947 17 E HN 0.462 nan 8.360 nan 0.000 0.478 18 A N 3.581 126.401 122.820 -0.001 0.000 2.168 18 A HA 0.171 4.491 4.320 -0.001 0.000 0.215 18 A C 0.823 178.355 177.584 -0.086 0.000 1.152 18 A CA 1.020 53.046 52.037 -0.019 0.000 0.716 18 A CB 0.281 19.265 19.000 -0.027 0.000 0.794 18 A HN 0.553 nan 8.150 nan 0.000 0.465 19 A N -1.045 121.683 122.820 -0.154 0.000 2.455 19 A HA 0.592 4.912 4.320 -0.001 0.000 0.300 19 A C -0.030 177.492 177.584 -0.104 0.000 1.040 19 A CA -0.177 51.702 52.037 -0.262 0.000 0.697 19 A CB 0.604 19.046 19.000 -0.929 0.000 1.265 19 A HN 0.400 nan 8.150 nan 0.000 0.407 20 E N -0.799 119.383 120.200 -0.030 0.000 2.553 20 E HA -0.166 4.183 4.350 -0.001 0.000 0.264 20 E C -0.325 176.300 176.600 0.041 0.000 1.068 20 E CA 1.001 57.431 56.400 0.049 0.000 0.774 20 E CB -1.963 27.800 29.700 0.106 0.000 1.349 20 E HN 1.650 nan 8.360 nan 0.000 0.404 21 V N -2.246 117.695 119.914 0.045 0.000 2.623 21 V HA 0.739 4.858 4.120 -0.001 0.000 0.304 21 V C 0.617 176.757 176.094 0.077 0.000 1.054 21 V CA 0.059 62.385 62.300 0.043 0.000 0.882 21 V CB 1.870 33.703 31.823 0.017 0.000 1.002 21 V HN 0.255 nan 8.190 nan 0.000 0.424 22 G N 5.544 114.394 108.800 0.083 0.000 2.257 22 G HA2 0.254 4.214 3.960 -0.001 0.000 0.235 22 G HA3 0.254 4.214 3.960 -0.001 0.000 0.235 22 G C -0.172 174.797 174.900 0.116 0.000 1.225 22 G CA -0.074 45.090 45.100 0.108 0.000 0.878 22 G HN 0.954 nan 8.290 nan 0.000 0.505 23 M N 1.319 120.995 119.600 0.128 0.000 2.250 23 M HA 0.306 4.786 4.480 -0.001 0.000 0.344 23 M C 0.444 176.802 176.300 0.097 0.000 1.150 23 M CA -0.461 54.909 55.300 0.116 0.000 1.147 23 M CB 1.529 34.197 32.600 0.114 0.000 1.498 23 M HN 0.511 nan 8.290 nan 0.000 0.461 24 M N 2.394 122.038 119.600 0.073 0.000 2.108 24 M HA 0.463 4.943 4.480 -0.001 0.000 0.354 24 M C 0.379 176.556 176.300 -0.205 0.000 1.229 24 M CA 0.661 55.969 55.300 0.014 0.000 1.081 24 M CB 0.162 32.829 32.600 0.112 0.000 1.606 24 M HN 0.803 nan 8.290 nan 0.000 0.467 25 G N 3.590 112.256 108.800 -0.224 0.000 3.330 25 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.197 25 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.197 25 G C 0.574 175.433 174.900 -0.068 0.000 1.284 25 G CA -0.021 44.754 45.100 -0.541 0.000 0.921 25 G HN 0.648 nan 8.290 nan 0.000 0.466 26 Y N 2.009 122.412 120.300 0.172 0.000 2.490 26 Y HA 0.382 4.932 4.550 -0.000 0.000 0.281 26 Y C 1.843 177.832 175.900 0.149 0.000 1.174 26 Y CA 0.476 58.686 58.100 0.183 0.000 1.295 26 Y CB 0.556 39.091 38.460 0.126 0.000 1.062 26 Y HN 0.222 nan 8.280 nan 0.000 0.522 27 S N 0.587 116.450 115.700 0.273 0.000 3.477 27 S HA -0.227 4.242 4.470 -0.001 0.000 0.357 27 S C 0.332 175.048 174.600 0.193 0.000 1.083 27 S CA 0.822 59.157 58.200 0.225 0.000 1.042 27 S CB -1.410 61.936 63.200 0.243 0.000 0.911 27 S HN 0.411 nan 8.310 nan 0.000 0.490 28 S N 0.746 116.565 115.700 0.198 0.000 2.452 28 S HA 0.473 4.942 4.470 -0.001 0.000 0.284 28 S C 1.111 175.791 174.600 0.134 0.000 1.171 28 S CA -0.908 57.382 58.200 0.150 0.000 1.064 28 S CB 0.665 63.947 63.200 0.136 0.000 0.967 28 S HN 0.358 nan 8.310 nan 0.000 0.484 29 L N 4.228 125.519 121.223 0.113 0.000 2.079 29 L HA -0.002 4.338 4.340 -0.001 0.000 0.210 29 L C 1.822 178.759 176.870 0.111 0.000 1.081 29 L CA 1.998 56.900 54.840 0.104 0.000 0.752 29 L CB -0.895 41.215 42.059 0.086 0.000 0.896 29 L HN 0.711 nan 8.230 nan 0.000 0.433 30 E N -0.622 119.647 120.200 0.114 0.000 2.371 30 E HA -0.107 4.243 4.350 -0.001 0.000 0.194 30 E C 1.063 177.791 176.600 0.213 0.000 1.012 30 E CA 0.099 56.582 56.400 0.138 0.000 0.860 30 E CB -0.062 29.711 29.700 0.121 0.000 0.811 30 E HN 0.536 nan 8.360 nan 0.000 0.502 31 Q N 2.105 122.014 119.800 0.183 0.000 2.641 31 Q HA 0.050 4.389 4.340 -0.001 0.000 0.225 31 Q C -0.718 175.428 176.000 0.245 0.000 1.309 31 Q CA 0.110 56.025 55.803 0.186 0.000 0.935 31 Q CB -0.134 28.656 28.738 0.086 0.000 1.557 31 Q HN -0.079 nan 8.270 nan 0.000 0.563 32 K N 1.523 122.133 120.400 0.350 0.000 2.123 32 K HA 0.256 4.575 4.320 -0.001 0.000 0.259 32 K C 0.007 176.767 176.600 0.268 0.000 0.960 32 K CA -0.562 55.866 56.287 0.235 0.000 0.872 32 K CB 1.236 33.827 32.500 0.152 0.000 1.079 32 K HN 0.496 nan 8.250 nan 0.000 0.440 33 T N -1.364 113.286 114.554 0.159 0.000 2.940 33 T HA 0.214 4.563 4.350 -0.001 0.000 0.309 33 T C 0.551 175.309 174.700 0.097 0.000 1.056 33 T CA -0.551 61.626 62.100 0.128 0.000 1.137 33 T CB 0.831 69.739 68.868 0.066 0.000 0.976 33 T HN 0.631 nan 8.240 nan 0.000 0.547 34 A N 1.778 124.659 122.820 0.103 0.000 2.568 34 A HA 0.776 5.096 4.320 -0.001 0.000 0.287 34 A C 0.763 178.334 177.584 -0.022 0.000 0.967 34 A CA 0.027 52.109 52.037 0.076 0.000 1.004 34 A CB -0.113 18.912 19.000 0.041 0.000 1.233 34 A HN 1.846 nan 8.150 nan 0.000 0.513 35 G N -0.575 108.195 108.800 -0.051 0.000 2.350 35 G HA2 0.357 4.317 3.960 -0.001 0.000 0.282 35 G HA3 0.357 4.317 3.960 -0.001 0.000 0.282 35 G C -1.665 173.274 174.900 0.066 0.000 1.314 35 G CA -0.432 44.576 45.100 -0.153 0.000 0.915 35 G HN 0.520 nan 8.290 nan 0.000 0.499 36 I N 0.123 120.800 120.570 0.178 0.000 2.569 36 I HA 0.394 4.564 4.170 -0.001 0.000 0.290 36 I C 0.823 177.086 176.117 0.243 0.000 1.088 36 I CA -0.733 60.701 61.300 0.223 0.000 1.047 36 I CB 2.411 40.572 38.000 0.269 0.000 1.237 36 I HN 0.890 nan 8.210 nan 0.000 0.421 37 H N 6.374 125.497 119.070 0.087 0.000 2.379 37 H HA 0.410 4.965 4.556 -0.001 0.000 0.308 37 H C -0.041 175.305 175.328 0.030 0.000 1.047 37 H CA 0.276 56.343 56.048 0.031 0.000 1.371 37 H CB 0.896 30.680 29.762 0.036 0.000 1.449 37 H HN 0.394 nan 8.280 nan 0.000 0.564 38 M N 0.991 120.609 119.600 0.030 0.000 2.531 38 M HA 0.340 4.819 4.480 -0.001 0.000 0.286 38 M C -0.688 175.664 176.300 0.086 0.000 1.232 38 M CA -0.725 54.569 55.300 -0.010 0.000 0.877 38 M CB 3.391 35.902 32.600 -0.150 0.000 1.726 38 M HN 0.145 nan 8.290 nan 0.000 0.463 39 R N 0.764 121.353 120.500 0.149 0.000 2.649 39 R HA 0.357 4.697 4.340 -0.001 0.000 0.270 39 R C -0.537 175.685 176.300 -0.130 0.000 1.105 39 R CA -0.412 55.666 56.100 -0.035 0.000 1.193 39 R CB 0.656 30.825 30.300 -0.219 0.000 1.120 39 R HN 0.588 nan 8.270 nan 0.000 0.561 40 Q N 0.446 120.014 119.800 -0.387 0.000 2.256 40 Q HA 0.268 4.608 4.340 -0.001 0.000 0.257 40 Q C -1.301 174.351 176.000 -0.579 0.000 0.936 40 Q CA -0.258 55.381 55.803 -0.274 0.000 0.903 40 Q CB 1.478 30.099 28.738 -0.195 0.000 1.263 40 Q HN 0.374 nan 8.270 nan 0.000 0.440 41 W N 0.424 121.725 121.300 0.002 0.000 2.864 41 W HA 0.670 5.330 4.660 -0.001 0.000 0.343 41 W C -0.754 175.753 176.519 -0.021 0.000 1.109 41 W CA -0.846 56.494 57.345 -0.008 0.000 1.192 41 W CB 1.494 30.965 29.460 0.019 0.000 1.426 41 W HN 0.594 nan 8.180 nan 0.000 0.529 42 A N 2.549 125.484 122.820 0.192 0.000 2.276 42 A HA 0.819 5.138 4.320 -0.001 0.000 0.316 42 A C -0.500 177.142 177.584 0.097 0.000 1.229 42 A CA -0.862 51.225 52.037 0.082 0.000 0.851 42 A CB 0.477 19.477 19.000 -0.000 0.000 1.165 42 A HN 0.719 nan 8.150 nan 0.000 0.513 43 R N 1.833 122.382 120.500 0.082 0.000 2.337 43 R HA 0.560 4.899 4.340 -0.001 0.000 0.319 43 R C -0.411 175.898 176.300 0.014 0.000 0.954 43 R CA -0.199 55.914 56.100 0.022 0.000 0.840 43 R CB 1.930 32.318 30.300 0.148 0.000 1.164 43 R HN 0.785 nan 8.270 nan 0.000 0.472 44 A N 3.486 126.185 122.820 -0.202 0.000 2.312 44 A HA 0.711 5.030 4.320 -0.001 0.000 0.326 44 A C -1.001 176.333 177.584 -0.416 0.000 1.172 44 A CA -0.433 51.524 52.037 -0.133 0.000 0.821 44 A CB 0.456 19.379 19.000 -0.129 0.000 1.166 44 A HN 0.582 nan 8.150 nan 0.000 0.493 45 F N 1.991 121.917 119.950 -0.040 0.000 2.500 45 F HA 0.415 4.942 4.527 -0.001 0.000 0.349 45 F C -0.137 175.673 175.800 0.017 0.000 1.127 45 F CA -0.709 57.224 58.000 -0.113 0.000 0.998 45 F CB 1.896 40.812 39.000 -0.139 0.000 1.237 45 F HN 0.250 nan 8.300 nan 0.000 0.439 46 V N 5.204 125.178 119.914 0.100 0.000 2.407 46 V HA 0.426 4.546 4.120 -0.001 0.000 0.278 46 V C 0.159 176.374 176.094 0.202 0.000 1.037 46 V CA -0.557 61.831 62.300 0.147 0.000 0.900 46 V CB 1.474 33.352 31.823 0.091 0.000 0.983 46 V HN 0.520 nan 8.190 nan 0.000 0.459 47 I N 4.511 125.209 120.570 0.213 0.000 2.418 47 I HA 0.484 4.654 4.170 -0.001 0.000 0.287 47 I C -0.011 176.204 176.117 0.163 0.000 1.008 47 I CA -0.388 61.050 61.300 0.229 0.000 1.104 47 I CB 1.754 39.873 38.000 0.199 0.000 1.264 47 I HN 0.580 nan 8.210 nan 0.000 0.438 48 E N 5.086 125.400 120.200 0.189 0.000 2.207 48 E HA 0.308 4.657 4.350 -0.001 0.000 0.270 48 E C -0.908 175.831 176.600 0.231 0.000 0.927 48 E CA -0.731 55.758 56.400 0.149 0.000 0.799 48 E CB 2.678 32.432 29.700 0.090 0.000 1.172 48 E HN 0.469 nan 8.360 nan 0.000 0.404 49 E N 2.333 122.633 120.200 0.167 0.000 2.102 49 E HA 0.317 4.666 4.350 -0.001 0.000 0.263 49 E C 0.351 176.967 176.600 0.027 0.000 0.894 49 E CA -0.140 56.357 56.400 0.162 0.000 0.746 49 E CB 1.016 30.810 29.700 0.157 0.000 1.129 49 E HN 0.740 nan 8.360 nan 0.000 0.416 50 A N 4.763 127.561 122.820 -0.037 0.000 4.085 50 A HA -0.435 3.885 4.320 -0.001 0.000 0.359 50 A C 1.931 179.489 177.584 -0.042 0.000 1.480 50 A CA 2.868 54.862 52.037 -0.071 0.000 1.017 50 A CB -1.810 17.108 19.000 -0.138 0.000 1.158 50 A HN 0.972 nan 8.150 nan 0.000 0.425 51 A N -1.826 120.965 122.820 -0.048 0.000 1.917 51 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 51 A C 2.368 179.938 177.584 -0.023 0.000 1.182 51 A CA 3.537 55.553 52.037 -0.034 0.000 0.633 51 A CB -1.039 17.940 19.000 -0.035 0.000 0.819 51 A HN 1.775 nan 8.150 nan 0.000 0.448 52 S N -2.514 113.175 115.700 -0.018 0.000 2.503 52 S HA 0.399 4.869 4.470 -0.001 0.000 0.215 52 S C 1.476 176.069 174.600 -0.012 0.000 1.003 52 S CA 0.922 59.115 58.200 -0.013 0.000 0.910 52 S CB -0.044 63.150 63.200 -0.009 0.000 0.790 52 S HN 1.906 nan 8.310 nan 0.000 0.514 53 G N 2.017 110.814 108.800 -0.006 0.000 2.168 53 G HA2 -0.322 3.638 3.960 -0.001 0.000 0.257 53 G HA3 -0.322 3.638 3.960 -0.001 0.000 0.257 53 G C 0.082 174.974 174.900 -0.014 0.000 0.997 53 G CA 0.138 45.233 45.100 -0.009 0.000 0.708 53 G HN 0.566 nan 8.290 nan 0.000 0.520 54 R N 0.166 120.665 120.500 -0.003 0.000 2.522 54 R HA 0.390 4.730 4.340 -0.001 0.000 0.284 54 R C 0.679 176.976 176.300 -0.006 0.000 1.032 54 R CA 0.003 56.097 56.100 -0.011 0.000 1.049 54 R CB 0.300 30.600 30.300 -0.000 0.000 0.956 54 R HN 0.422 nan 8.270 nan 0.000 0.422 55 R N 4.376 124.859 120.500 -0.028 0.000 2.670 55 R HA 0.479 4.818 4.340 -0.001 0.000 0.289 55 R C -1.243 175.047 176.300 -0.017 0.000 0.965 55 R CA -0.629 55.469 56.100 -0.002 0.000 0.899 55 R CB 1.094 31.384 30.300 -0.016 0.000 1.173 55 R HN 0.473 nan 8.270 nan 0.000 0.456 56 L N 3.601 124.817 121.223 -0.011 0.000 2.381 56 L HA 0.608 4.947 4.340 -0.001 0.000 0.268 56 L C -1.071 175.865 176.870 0.110 0.000 0.997 56 L CA -1.211 53.549 54.840 -0.133 0.000 0.818 56 L CB 2.433 44.264 42.059 -0.381 0.000 1.310 56 L HN 0.343 nan 8.230 nan 0.000 0.416 57 V N 2.079 122.129 119.914 0.227 0.000 2.531 57 V HA 0.381 4.500 4.120 -0.001 0.000 0.301 57 V C -1.387 174.996 176.094 0.482 0.000 1.034 57 V CA -0.703 61.766 62.300 0.282 0.000 0.865 57 V CB 1.893 33.750 31.823 0.057 0.000 0.995 57 V HN 0.561 nan 8.190 nan 0.000 0.424 58 Y N 4.628 125.125 120.300 0.328 0.000 2.350 58 Y HA 0.781 5.330 4.550 -0.001 0.000 0.338 58 Y C -0.953 175.097 175.900 0.250 0.000 0.961 58 Y CA -0.713 57.565 58.100 0.297 0.000 1.100 58 Y CB 2.001 40.643 38.460 0.304 0.000 1.179 58 Y HN 0.407 nan 8.280 nan 0.000 0.454 59 V N 5.975 125.616 119.914 -0.455 0.000 2.483 59 V HA 0.321 4.441 4.120 -0.001 0.000 0.297 59 V C -0.951 174.846 176.094 -0.494 0.000 1.027 59 V CA -0.925 61.203 62.300 -0.288 0.000 0.855 59 V CB 1.586 33.326 31.823 -0.139 0.000 0.995 59 V HN 0.792 nan 8.190 nan 0.000 0.424 60 N N 2.832 121.387 118.700 -0.241 0.000 2.400 60 N HA 0.646 5.386 4.740 -0.001 0.000 0.288 60 N C -0.314 175.199 175.510 0.005 0.000 1.024 60 N CA -0.189 52.788 53.050 -0.122 0.000 0.894 60 N CB 1.709 40.237 38.487 0.068 0.000 1.173 60 N HN 0.862 nan 8.380 nan 0.000 0.487 61 T N -0.408 114.144 114.554 -0.002 0.000 2.856 61 T HA 0.365 4.714 4.350 -0.001 0.000 0.283 61 T C -0.501 174.222 174.700 0.038 0.000 1.008 61 T CA -0.948 61.162 62.100 0.016 0.000 0.997 61 T CB 1.047 69.897 68.868 -0.031 0.000 0.992 61 T HN 0.263 nan 8.240 nan 0.000 0.454 62 D N 3.011 123.445 120.400 0.056 0.000 2.688 62 D HA 0.336 4.975 4.640 -0.001 0.000 0.228 62 D C -0.076 176.223 176.300 -0.002 0.000 1.116 62 D CA 0.225 54.263 54.000 0.063 0.000 1.023 62 D CB -0.277 40.590 40.800 0.112 0.000 1.100 62 D HN 0.473 nan 8.370 nan 0.000 0.487 63 L N -1.471 119.747 121.223 -0.009 0.000 2.341 63 L HA 0.443 4.782 4.340 -0.001 0.000 0.254 63 L C 1.792 178.656 176.870 -0.009 0.000 1.040 63 L CA -1.146 53.689 54.840 -0.009 0.000 0.837 63 L CB 1.596 43.646 42.059 -0.014 0.000 1.425 63 L HN 0.064 nan 8.230 nan 0.000 0.414 64 G N 0.645 109.451 108.800 0.011 0.000 2.443 64 G HA2 0.121 4.081 3.960 -0.001 0.000 0.219 64 G HA3 0.121 4.081 3.960 -0.001 0.000 0.219 64 G C 0.362 175.173 174.900 -0.148 0.000 1.131 64 G CA 0.967 45.976 45.100 -0.151 0.000 0.775 64 G HN 0.508 nan 8.290 nan 0.000 0.547 65 M N -1.008 118.476 119.600 -0.194 0.000 3.166 65 M HA 0.254 4.734 4.480 -0.001 0.000 0.261 65 M C -2.113 174.034 176.300 -0.254 0.000 0.905 65 M CA -1.189 53.935 55.300 -0.294 0.000 0.795 65 M CB 0.964 33.164 32.600 -0.666 0.000 1.589 65 M HN 0.125 nan 8.290 nan 0.000 0.570 66 I N 0.470 120.947 120.570 -0.155 0.000 2.359 66 I HA 0.564 4.733 4.170 -0.001 0.000 0.284 66 I C -1.199 174.934 176.117 0.026 0.000 1.018 66 I CA -0.378 60.935 61.300 0.021 0.000 1.173 66 I CB -0.266 37.791 38.000 0.094 0.000 1.326 66 I HN 0.642 nan 8.210 nan 0.000 0.462 67 F N 3.551 123.650 119.950 0.249 0.000 2.440 67 F HA 0.146 4.672 4.527 -0.001 0.000 0.323 67 F C 2.089 178.060 175.800 0.286 0.000 1.192 67 F CA 0.015 58.151 58.000 0.228 0.000 1.252 67 F CB 0.550 39.654 39.000 0.173 0.000 1.214 67 F HN 0.586 nan 8.300 nan 0.000 0.578 68 Q N 1.443 121.558 119.800 0.525 0.000 2.152 68 Q HA -0.229 4.110 4.340 -0.001 0.000 0.206 68 Q C 2.111 178.339 176.000 0.379 0.000 0.985 68 Q CA 1.889 57.959 55.803 0.446 0.000 0.863 68 Q CB -0.225 28.779 28.738 0.442 0.000 0.904 68 Q HN 0.830 nan 8.270 nan 0.000 0.422 69 A N -0.336 122.633 122.820 0.249 0.000 1.908 69 A HA -0.182 4.138 4.320 -0.001 0.000 0.218 69 A C 2.199 180.013 177.584 0.384 0.000 1.181 69 A CA 1.742 53.782 52.037 0.005 0.000 0.627 69 A CB -0.804 17.703 19.000 -0.821 0.000 0.818 69 A HN 0.320 nan 8.150 nan 0.000 0.445 70 V N -0.401 119.827 119.914 0.523 0.000 2.307 70 V HA -0.265 3.855 4.120 -0.001 0.000 0.245 70 V C 2.500 178.735 176.094 0.236 0.000 1.045 70 V CA 2.104 64.608 62.300 0.340 0.000 1.024 70 V CB -0.998 31.020 31.823 0.326 0.000 0.651 70 V HN 0.802 nan 8.190 nan 0.000 0.449 71 H N 0.083 119.282 119.070 0.216 0.000 2.290 71 H HA -0.166 4.390 4.556 -0.001 0.000 0.298 71 H C 2.306 177.745 175.328 0.185 0.000 1.087 71 H CA 2.249 58.408 56.048 0.184 0.000 1.291 71 H CB -0.080 29.831 29.762 0.247 0.000 1.369 71 H HN 0.320 nan 8.280 nan 0.000 0.492 72 L N 0.366 121.726 121.223 0.228 0.000 2.042 72 L HA -0.202 4.137 4.340 -0.001 0.000 0.210 72 L C 2.867 179.787 176.870 0.082 0.000 1.076 72 L CA 1.702 56.635 54.840 0.154 0.000 0.749 72 L CB -0.337 41.845 42.059 0.204 0.000 0.893 72 L HN 0.186 nan 8.230 nan 0.000 0.432 73 K N 0.139 120.616 120.400 0.129 0.000 2.025 73 K HA -0.143 4.176 4.320 -0.001 0.000 0.207 73 K C 1.975 178.584 176.600 0.016 0.000 1.049 73 K CA 1.565 57.917 56.287 0.109 0.000 0.933 73 K CB -0.334 32.280 32.500 0.190 0.000 0.714 73 K HN 0.224 nan 8.250 nan 0.000 0.438 74 V N -0.343 119.551 119.914 -0.034 0.000 2.490 74 V HA -0.133 3.986 4.120 -0.001 0.000 0.250 74 V C 1.871 177.921 176.094 -0.074 0.000 1.061 74 V CA 1.581 63.841 62.300 -0.066 0.000 1.064 74 V CB -0.403 31.366 31.823 -0.088 0.000 0.670 74 V HN 0.241 nan 8.190 nan 0.000 0.461 75 L N 0.644 121.791 121.223 -0.126 0.000 2.156 75 L HA 0.123 4.463 4.340 -0.001 0.000 0.208 75 L C 2.901 179.755 176.870 -0.026 0.000 1.095 75 L CA 1.688 56.454 54.840 -0.122 0.000 0.770 75 L CB -0.762 41.142 42.059 -0.258 0.000 0.914 75 L HN 0.415 nan 8.230 nan 0.000 0.439 76 A N -0.355 122.464 122.820 -0.002 0.000 1.902 76 A HA -0.189 4.130 4.320 -0.001 0.000 0.217 76 A C 2.409 180.014 177.584 0.035 0.000 1.181 76 A CA 1.390 53.446 52.037 0.031 0.000 0.623 76 A CB -0.403 18.625 19.000 0.048 0.000 0.818 76 A HN 0.299 nan 8.150 nan 0.000 0.443 77 R N -0.615 119.903 120.500 0.030 0.000 2.075 77 R HA 0.003 4.342 4.340 -0.001 0.000 0.232 77 R C 2.057 178.405 176.300 0.081 0.000 1.126 77 R CA 1.296 57.419 56.100 0.037 0.000 0.963 77 R CB -0.536 29.779 30.300 0.025 0.000 0.858 77 R HN 0.524 nan 8.270 nan 0.000 0.435 78 L N 0.726 122.013 121.223 0.106 0.000 2.093 78 L HA -0.158 4.182 4.340 -0.001 0.000 0.208 78 L C 2.364 179.395 176.870 0.269 0.000 1.085 78 L CA 1.385 56.372 54.840 0.244 0.000 0.755 78 L CB -0.327 41.797 42.059 0.109 0.000 0.904 78 L HN 0.140 nan 8.230 nan 0.000 0.435 79 K N 0.100 120.587 120.400 0.144 0.000 2.062 79 K HA -0.073 4.246 4.320 -0.001 0.000 0.205 79 K C 2.234 178.880 176.600 0.076 0.000 1.051 79 K CA 1.265 57.622 56.287 0.117 0.000 0.941 79 K CB -0.154 32.390 32.500 0.073 0.000 0.719 79 K HN 0.250 nan 8.250 nan 0.000 0.440 80 A N 1.554 124.401 122.820 0.045 0.000 1.929 80 A HA -0.142 4.178 4.320 -0.001 0.000 0.216 80 A C 2.000 179.552 177.584 -0.054 0.000 1.176 80 A CA 1.364 53.402 52.037 0.002 0.000 0.628 80 A CB -0.156 18.844 19.000 -0.000 0.000 0.816 80 A HN 0.165 nan 8.150 nan 0.000 0.444 81 K N -2.168 118.175 120.400 -0.095 0.000 2.262 81 K HA 0.038 4.358 4.320 -0.001 0.000 0.200 81 K C -0.579 175.652 176.600 -0.615 0.000 1.049 81 K CA 0.530 56.605 56.287 -0.355 0.000 0.979 81 K CB 0.092 32.337 32.500 -0.426 0.000 0.773 81 K HN 0.515 nan 8.250 nan 0.000 0.474 82 Y N 1.706 122.049 120.300 0.072 0.000 2.473 82 Y HA 0.291 4.840 4.550 -0.001 0.000 0.345 82 Y C -2.472 173.438 175.900 0.017 0.000 0.932 82 Y CA -2.612 55.521 58.100 0.055 0.000 1.124 82 Y CB 0.764 39.310 38.460 0.143 0.000 1.162 82 Y HN 0.027 nan 8.280 nan 0.000 0.629 83 P HA 0.036 nan 4.420 nan 0.000 0.264 83 P C 1.052 178.369 177.300 0.029 0.000 1.193 83 P CA 1.687 64.816 63.100 0.048 0.000 0.763 83 P CB 1.389 33.099 31.700 0.017 0.000 0.810 84 G N 1.962 110.775 108.800 0.021 0.000 2.253 84 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.251 84 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.251 84 G C 0.623 175.492 174.900 -0.051 0.000 0.998 84 G CA 0.290 45.386 45.100 -0.007 0.000 0.621 84 G HN 0.597 nan 8.290 nan 0.000 0.524 85 V N -1.249 118.603 119.914 -0.102 0.000 3.212 85 V HA 0.628 4.747 4.120 -0.001 0.000 0.244 85 V C 0.616 176.474 176.094 -0.393 0.000 1.151 85 V CA 0.918 63.035 62.300 -0.305 0.000 1.119 85 V CB 0.158 31.693 31.823 -0.479 0.000 0.838 85 V HN 0.465 nan 8.190 nan 0.000 0.470 86 Y N 1.481 121.806 120.300 0.041 0.000 2.442 86 Y HA 0.676 5.225 4.550 -0.001 0.000 0.344 86 Y C -0.514 175.396 175.900 0.016 0.000 0.976 86 Y CA -0.600 57.513 58.100 0.021 0.000 1.040 86 Y CB 1.903 40.374 38.460 0.019 0.000 1.228 86 Y HN 0.541 nan 8.280 nan 0.000 0.451 87 D N -1.368 119.129 120.400 0.163 0.000 2.779 87 D HA 0.074 4.713 4.640 -0.001 0.000 0.331 87 D C 0.277 176.542 176.300 -0.058 0.000 1.331 87 D CA -0.744 53.282 54.000 0.043 0.000 0.866 87 D CB 0.264 41.084 40.800 0.034 0.000 1.409 87 D HN 0.412 nan 8.370 nan 0.000 0.486 88 E N 0.213 120.275 120.200 -0.231 0.000 2.267 88 E HA -0.202 4.147 4.350 -0.001 0.000 0.197 88 E C 0.741 177.065 176.600 -0.460 0.000 0.998 88 E CA 0.847 56.865 56.400 -0.636 0.000 0.830 88 E CB -0.534 28.334 29.700 -1.386 0.000 0.751 88 E HN 0.422 nan 8.360 nan 0.000 0.491 89 N N 2.074 120.720 118.700 -0.090 0.000 2.188 89 N HA -0.103 4.637 4.740 -0.001 0.000 0.184 89 N C 1.011 176.677 175.510 0.259 0.000 1.018 89 N CA 1.458 54.595 53.050 0.145 0.000 0.858 89 N CB -0.169 38.393 38.487 0.125 0.000 0.989 89 N HN 0.419 nan 8.380 nan 0.000 0.426 90 N N -0.218 118.599 118.700 0.195 0.000 2.338 90 N HA 0.057 4.796 4.740 -0.001 0.000 0.251 90 N C -1.051 174.693 175.510 0.391 0.000 1.199 90 N CA -0.131 53.032 53.050 0.189 0.000 0.879 90 N CB 0.225 38.725 38.487 0.023 0.000 1.159 90 N HN -0.216 nan 8.380 nan 0.000 0.514 91 V N 1.460 121.628 119.914 0.423 0.000 2.443 91 V HA 0.431 4.551 4.120 -0.001 0.000 0.293 91 V C -0.576 175.685 176.094 0.278 0.000 1.021 91 V CA -0.604 61.876 62.300 0.301 0.000 0.848 91 V CB 1.822 33.675 31.823 0.051 0.000 0.998 91 V HN 0.324 nan 8.190 nan 0.000 0.424 92 M N 6.465 126.199 119.600 0.222 0.000 2.243 92 M HA 0.656 5.135 4.480 -0.001 0.000 0.324 92 M C -1.906 174.357 176.300 -0.062 0.000 1.031 92 M CA -0.538 54.757 55.300 -0.008 0.000 0.949 92 M CB 1.464 33.885 32.600 -0.297 0.000 1.615 92 M HN 0.532 nan 8.290 nan 0.000 0.430 93 L N 4.768 125.974 121.223 -0.028 0.000 2.325 93 L HA 0.875 5.214 4.340 -0.001 0.000 0.281 93 L C -0.482 176.339 176.870 -0.080 0.000 1.004 93 L CA -0.593 54.201 54.840 -0.077 0.000 0.823 93 L CB 1.587 43.679 42.059 0.054 0.000 1.236 93 L HN 0.830 nan 8.230 nan 0.000 0.415 94 A N 2.602 125.324 122.820 -0.162 0.000 2.435 94 A HA 1.006 5.326 4.320 -0.001 0.000 0.296 94 A C -0.986 176.595 177.584 -0.004 0.000 1.147 94 A CA -0.464 51.555 52.037 -0.031 0.000 0.775 94 A CB 1.949 20.979 19.000 0.050 0.000 1.340 94 A HN 0.747 nan 8.150 nan 0.000 0.427 95 A N -0.709 122.149 122.820 0.062 0.000 2.454 95 A HA 0.649 4.969 4.320 -0.001 0.000 0.302 95 A C 0.747 178.329 177.584 -0.003 0.000 1.079 95 A CA 0.255 52.305 52.037 0.022 0.000 0.731 95 A CB 0.720 19.719 19.000 -0.001 0.000 1.299 95 A HN 1.630 nan 8.150 nan 0.000 0.413 96 T N -1.892 112.662 114.554 -0.000 0.000 3.085 96 T HA 0.063 4.412 4.350 -0.001 0.000 0.263 96 T C 0.735 175.383 174.700 -0.087 0.000 1.127 96 T CA 1.459 63.564 62.100 0.008 0.000 1.103 96 T CB -0.380 68.537 68.868 0.082 0.000 0.921 96 T HN 1.649 nan 8.240 nan 0.000 0.510 97 H N 0.758 119.633 119.070 -0.325 0.000 2.886 97 H HA -0.148 4.407 4.556 -0.001 0.000 0.294 97 H C 0.082 175.335 175.328 -0.126 0.000 1.246 97 H CA 0.380 56.166 56.048 -0.436 0.000 1.142 97 H CB -2.133 27.048 29.762 -0.968 0.000 1.358 97 H HN 0.563 nan 8.280 nan 0.000 0.406 98 T N -0.746 113.767 114.554 -0.067 0.000 2.919 98 T HA 0.148 4.498 4.350 -0.001 0.000 0.302 98 T C 1.098 175.751 174.700 -0.078 0.000 1.031 98 T CA 0.140 62.235 62.100 -0.008 0.000 1.127 98 T CB 0.481 69.363 68.868 0.023 0.000 0.952 98 T HN 0.494 nan 8.240 nan 0.000 0.540 99 H N 1.936 120.826 119.070 -0.299 0.000 2.520 99 H HA 0.370 4.925 4.556 -0.001 0.000 0.284 99 H C 0.961 176.134 175.328 -0.258 0.000 1.037 99 H CA -0.140 55.636 56.048 -0.453 0.000 1.168 99 H CB 0.515 29.696 29.762 -0.969 0.000 1.497 99 H HN 0.395 nan 8.280 nan 0.000 0.547 100 S N 0.308 116.004 115.700 -0.007 0.000 2.525 100 S HA 0.425 4.895 4.470 -0.001 0.000 0.242 100 S C 0.727 175.351 174.600 0.040 0.000 1.164 100 S CA -0.268 57.956 58.200 0.040 0.000 1.154 100 S CB 0.580 63.817 63.200 0.062 0.000 0.875 100 S HN 0.485 nan 8.310 nan 0.000 0.482 101 G N 2.394 111.212 108.800 0.030 0.000 2.533 101 G HA2 0.658 4.617 3.960 -0.001 0.000 0.304 101 G HA3 0.658 4.617 3.960 -0.001 0.000 0.304 101 G C -3.263 171.690 174.900 0.088 0.000 1.263 101 G CA -2.054 43.071 45.100 0.041 0.000 0.964 101 G HN -0.009 nan 8.290 nan 0.000 0.479 102 P HA 0.221 nan 4.420 nan 0.000 0.271 102 P C 0.443 177.907 177.300 0.274 0.000 1.216 102 P CA 0.178 63.350 63.100 0.119 0.000 0.776 102 P CB 1.727 33.459 31.700 0.054 0.000 0.881 103 G N 0.623 109.587 108.800 0.272 0.000 2.606 103 G HA2 0.509 4.468 3.960 -0.001 0.000 0.262 103 G HA3 0.509 4.468 3.960 -0.001 0.000 0.262 103 G C 0.532 175.621 174.900 0.315 0.000 1.394 103 G CA -0.526 44.792 45.100 0.363 0.000 1.044 103 G HN 0.741 nan 8.290 nan 0.000 0.553 104 G N -2.114 106.779 108.800 0.156 0.000 2.131 104 G HA2 -0.145 3.814 3.960 -0.001 0.000 0.223 104 G HA3 -0.145 3.814 3.960 -0.001 0.000 0.223 104 G C 0.451 175.488 174.900 0.230 0.000 0.990 104 G CA 0.843 45.995 45.100 0.088 0.000 0.671 104 G HN 1.476 nan 8.290 nan 0.000 0.521 105 F N 0.787 120.871 119.950 0.223 0.000 2.684 105 F HA 0.759 5.285 4.527 -0.001 0.000 0.298 105 F C 0.615 176.669 175.800 0.424 0.000 1.120 105 F CA -0.930 57.351 58.000 0.468 0.000 1.332 105 F CB -0.153 39.163 39.000 0.527 0.000 0.986 105 F HN 0.230 nan 8.300 nan 0.000 0.524 106 S N -0.618 114.953 115.700 -0.215 0.000 2.664 106 S HA 0.395 4.864 4.470 -0.001 0.000 0.304 106 S C 0.248 174.758 174.600 -0.151 0.000 1.099 106 S CA -0.351 57.529 58.200 -0.533 0.000 1.003 106 S CB 0.856 63.126 63.200 -1.549 0.000 1.092 106 S HN 0.513 nan 8.310 nan 0.000 0.525 107 H N 0.127 119.030 119.070 -0.279 0.000 2.652 107 H HA 0.242 4.797 4.556 -0.001 0.000 0.274 107 H C -0.803 174.201 175.328 -0.541 0.000 1.021 107 H CA -0.058 55.693 56.048 -0.496 0.000 1.187 107 H CB 0.468 29.870 29.762 -0.601 0.000 1.505 107 H HN 0.450 nan 8.280 nan 0.000 0.530 108 Y N 0.391 120.681 120.300 -0.017 0.000 2.341 108 Y HA 0.238 4.787 4.550 -0.001 0.000 0.340 108 Y C 1.214 177.050 175.900 -0.106 0.000 0.997 108 Y CA -0.330 57.750 58.100 -0.033 0.000 1.149 108 Y CB 1.206 39.682 38.460 0.026 0.000 1.171 108 Y HN 0.115 nan 8.280 nan 0.000 0.494 109 A N 3.581 126.392 122.820 -0.015 0.000 1.940 109 A HA -0.344 3.976 4.320 -0.001 0.000 0.221 109 A C 2.237 179.668 177.584 -0.254 0.000 1.190 109 A CA 2.458 54.391 52.037 -0.173 0.000 0.647 109 A CB -0.640 17.927 19.000 -0.722 0.000 0.821 109 A HN 0.949 nan 8.150 nan 0.000 0.457 110 M N -1.549 117.885 119.600 -0.276 0.000 2.144 110 M HA -0.197 4.282 4.480 -0.001 0.000 0.260 110 M C 1.455 177.628 176.300 -0.211 0.000 1.067 110 M CA 1.832 56.967 55.300 -0.275 0.000 1.095 110 M CB -0.490 31.903 32.600 -0.346 0.000 1.365 110 M HN 0.453 nan 8.290 nan 0.000 0.406 111 Y N -0.990 119.351 120.300 0.068 0.000 2.511 111 Y HA 0.206 4.756 4.550 -0.001 0.000 0.279 111 Y C 1.454 177.311 175.900 -0.072 0.000 1.157 111 Y CA 0.572 58.676 58.100 0.007 0.000 1.300 111 Y CB -0.912 37.470 38.460 -0.130 0.000 1.052 111 Y HN 0.455 nan 8.280 nan 0.000 0.529 112 N N -0.719 118.021 118.700 0.067 0.000 2.254 112 N HA 0.093 4.832 4.740 -0.001 0.000 0.190 112 N C 1.454 177.082 175.510 0.196 0.000 1.107 112 N CA -0.080 53.014 53.050 0.072 0.000 0.869 112 N CB 0.263 38.769 38.487 0.031 0.000 0.983 112 N HN 0.177 nan 8.380 nan 0.000 0.487 113 L N 0.985 122.332 121.223 0.208 0.000 1.963 113 L HA -0.276 4.064 4.340 -0.001 0.000 0.220 113 L C 2.502 179.489 176.870 0.194 0.000 1.076 113 L CA 1.793 56.751 54.840 0.197 0.000 0.772 113 L CB -0.723 41.338 42.059 0.003 0.000 0.892 113 L HN 0.345 nan 8.230 nan 0.000 0.435 114 S N -1.350 114.436 115.700 0.143 0.000 2.474 114 S HA -0.072 4.397 4.470 -0.001 0.000 0.235 114 S C 1.508 176.177 174.600 0.115 0.000 0.997 114 S CA 0.867 59.144 58.200 0.129 0.000 0.949 114 S CB -0.374 62.909 63.200 0.138 0.000 0.766 114 S HN 0.251 nan 8.310 nan 0.000 0.517 115 V N 1.121 121.093 119.914 0.096 0.000 3.608 115 V HA 0.310 4.429 4.120 -0.001 0.000 0.269 115 V C 1.055 177.151 176.094 0.002 0.000 1.245 115 V CA 0.402 62.733 62.300 0.052 0.000 1.138 115 V CB -1.116 30.725 31.823 0.031 0.000 0.841 115 V HN 0.604 nan 8.190 nan 0.000 0.451 116 L N -0.435 120.804 121.223 0.026 0.000 4.351 116 L HA -0.181 4.158 4.340 -0.001 0.000 0.410 116 L C 0.633 177.190 176.870 -0.520 0.000 1.150 116 L CA 0.205 55.035 54.840 -0.016 0.000 0.961 116 L CB -2.224 39.875 42.059 0.066 0.000 2.130 116 L HN 0.652 nan 8.230 nan 0.000 0.787 117 G N -0.654 107.643 108.800 -0.838 0.000 2.316 117 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.349 117 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.349 117 G C -0.959 173.726 174.900 -0.359 0.000 1.274 117 G CA -0.311 44.120 45.100 -1.115 0.000 1.018 117 G HN 0.116 nan 8.290 nan 0.000 0.486 118 F N 1.623 121.342 119.950 -0.386 0.000 2.438 118 F HA 0.576 5.102 4.527 -0.001 0.000 0.356 118 F C 0.434 176.158 175.800 -0.127 0.000 1.099 118 F CA -0.517 57.362 58.000 -0.203 0.000 1.185 118 F CB 0.968 39.849 39.000 -0.198 0.000 1.115 118 F HN 0.241 nan 8.300 nan 0.000 0.526 119 Q N 6.341 125.776 119.800 -0.608 0.000 2.563 119 Q HA 0.045 4.384 4.340 -0.001 0.000 0.232 119 Q C 0.942 176.492 176.000 -0.750 0.000 1.106 119 Q CA -0.076 55.432 55.803 -0.493 0.000 0.913 119 Q CB 1.132 29.752 28.738 -0.197 0.000 1.175 119 Q HN 0.908 nan 8.270 nan 0.000 0.540 120 E N 2.728 122.397 120.200 -0.884 0.000 2.097 120 E HA -0.270 4.080 4.350 -0.001 0.000 0.196 120 E C 1.410 177.919 176.600 -0.153 0.000 1.000 120 E CA 1.476 57.534 56.400 -0.571 0.000 0.804 120 E CB 0.390 29.995 29.700 -0.158 0.000 0.740 120 E HN 0.400 nan 8.360 nan 0.000 0.454 121 K N -0.545 119.769 120.400 -0.145 0.000 2.057 121 K HA -0.117 4.202 4.320 -0.001 0.000 0.207 121 K C 2.074 178.630 176.600 -0.074 0.000 1.049 121 K CA 1.789 58.027 56.287 -0.082 0.000 0.931 121 K CB -0.039 32.407 32.500 -0.090 0.000 0.714 121 K HN 0.066 nan 8.250 nan 0.000 0.440 122 T N 0.505 115.010 114.554 -0.082 0.000 2.812 122 T HA -0.110 4.239 4.350 -0.001 0.000 0.264 122 T C 1.326 175.993 174.700 -0.055 0.000 1.042 122 T CA 1.217 63.272 62.100 -0.076 0.000 1.140 122 T CB -0.323 68.526 68.868 -0.032 0.000 0.870 122 T HN 0.311 nan 8.240 nan 0.000 0.445 123 F N 2.845 122.729 119.950 -0.109 0.000 2.095 123 F HA -0.190 4.336 4.527 -0.001 0.000 0.298 123 F C 2.134 177.943 175.800 0.016 0.000 1.104 123 F CA 1.350 59.370 58.000 0.032 0.000 1.232 123 F CB -0.267 38.809 39.000 0.126 0.000 0.987 123 F HN 0.062 nan 8.300 nan 0.000 0.475 124 N N 0.768 119.451 118.700 -0.029 0.000 2.244 124 N HA -0.108 4.631 4.740 -0.001 0.000 0.183 124 N C 1.957 177.357 175.510 -0.183 0.000 1.016 124 N CA 1.216 54.187 53.050 -0.132 0.000 0.866 124 N CB -0.641 37.867 38.487 0.036 0.000 0.980 124 N HN 0.455 nan 8.380 nan 0.000 0.430 125 A N 1.080 123.803 122.820 -0.161 0.000 1.930 125 A HA -0.035 4.284 4.320 -0.001 0.000 0.217 125 A C 2.305 179.754 177.584 -0.225 0.000 1.175 125 A CA 0.760 52.693 52.037 -0.173 0.000 0.627 125 A CB -0.484 18.417 19.000 -0.164 0.000 0.815 125 A HN 0.174 nan 8.150 nan 0.000 0.443 126 I N 0.011 120.408 120.570 -0.289 0.000 2.202 126 I HA -0.203 3.966 4.170 -0.001 0.000 0.242 126 I C 2.593 178.537 176.117 -0.287 0.000 1.091 126 I CA 1.500 62.608 61.300 -0.321 0.000 1.368 126 I CB -0.266 37.481 38.000 -0.422 0.000 1.058 126 I HN 0.339 nan 8.210 nan 0.000 0.410 127 V N -1.034 118.654 119.914 -0.375 0.000 2.427 127 V HA -0.229 3.891 4.120 -0.001 0.000 0.248 127 V C 1.897 177.879 176.094 -0.187 0.000 1.051 127 V CA 2.004 64.125 62.300 -0.299 0.000 1.048 127 V CB -0.761 30.827 31.823 -0.392 0.000 0.666 127 V HN 0.293 nan 8.190 nan 0.000 0.456 128 D N 1.627 121.924 120.400 -0.173 0.000 2.117 128 D HA -0.038 4.601 4.640 -0.001 0.000 0.198 128 D C 2.252 178.490 176.300 -0.103 0.000 0.982 128 D CA 1.887 55.820 54.000 -0.113 0.000 0.828 128 D CB -0.747 39.993 40.800 -0.100 0.000 0.967 128 D HN 0.593 nan 8.370 nan 0.000 0.464 129 G N 0.688 109.411 108.800 -0.128 0.000 2.408 129 G HA2 -0.162 3.798 3.960 -0.001 0.000 0.217 129 G HA3 -0.162 3.798 3.960 -0.001 0.000 0.217 129 G C 1.799 176.646 174.900 -0.088 0.000 1.150 129 G CA 0.167 45.202 45.100 -0.110 0.000 0.776 129 G HN 0.243 nan 8.290 nan 0.000 0.542 130 I N 0.359 120.864 120.570 -0.107 0.000 2.179 130 I HA -0.155 4.014 4.170 -0.001 0.000 0.242 130 I C 2.786 178.848 176.117 -0.092 0.000 1.088 130 I CA 0.559 61.803 61.300 -0.095 0.000 1.357 130 I CB -0.316 37.623 38.000 -0.102 0.000 1.051 130 I HN 0.013 nan 8.210 nan 0.000 0.409 131 V N 0.792 120.654 119.914 -0.086 0.000 2.332 131 V HA -0.321 3.799 4.120 -0.001 0.000 0.248 131 V C 2.627 178.691 176.094 -0.051 0.000 1.055 131 V CA 1.994 64.254 62.300 -0.066 0.000 1.038 131 V CB -0.795 31.011 31.823 -0.029 0.000 0.651 131 V HN 0.395 nan 8.190 nan 0.000 0.450 132 R N 0.530 121.004 120.500 -0.043 0.000 2.081 132 R HA -0.180 4.159 4.340 -0.001 0.000 0.235 132 R C 2.634 178.910 176.300 -0.040 0.000 1.131 132 R CA 1.852 57.935 56.100 -0.029 0.000 0.960 132 R CB -0.334 29.950 30.300 -0.027 0.000 0.856 132 R HN 0.714 nan 8.270 nan 0.000 0.436 133 S N 0.048 115.718 115.700 -0.050 0.000 2.382 133 S HA -0.122 4.347 4.470 -0.001 0.000 0.228 133 S C 1.990 176.529 174.600 -0.102 0.000 1.027 133 S CA 1.145 59.307 58.200 -0.063 0.000 0.991 133 S CB -0.397 62.773 63.200 -0.051 0.000 0.823 133 S HN 0.346 nan 8.310 nan 0.000 0.469 134 I N 1.832 122.330 120.570 -0.120 0.000 2.353 134 I HA -0.113 4.056 4.170 -0.001 0.000 0.248 134 I C 2.778 178.804 176.117 -0.151 0.000 1.119 134 I CA 1.400 62.598 61.300 -0.170 0.000 1.417 134 I CB -0.380 37.456 38.000 -0.273 0.000 1.078 134 I HN 0.373 nan 8.210 nan 0.000 0.421 135 E N 0.700 120.836 120.200 -0.107 0.000 2.106 135 E HA -0.179 4.170 4.350 -0.001 0.000 0.192 135 E C 2.316 178.886 176.600 -0.050 0.000 0.984 135 E CA 0.878 57.240 56.400 -0.064 0.000 0.806 135 E CB -0.033 29.682 29.700 0.025 0.000 0.750 135 E HN 0.429 nan 8.360 nan 0.000 0.458 136 R N 0.472 120.938 120.500 -0.056 0.000 2.092 136 R HA -0.033 4.306 4.340 -0.001 0.000 0.231 136 R C 2.328 178.576 176.300 -0.087 0.000 1.119 136 R CA 1.011 57.074 56.100 -0.061 0.000 0.970 136 R CB -0.192 30.072 30.300 -0.060 0.000 0.864 136 R HN 0.090 nan 8.270 nan 0.000 0.440 137 A N 1.872 124.624 122.820 -0.113 0.000 1.873 137 A HA -0.222 4.098 4.320 -0.001 0.000 0.215 137 A C 2.185 179.720 177.584 -0.082 0.000 1.186 137 A CA 1.412 53.369 52.037 -0.134 0.000 0.616 137 A CB -0.481 18.416 19.000 -0.171 0.000 0.823 137 A HN 0.481 nan 8.150 nan 0.000 0.442 138 Q N -0.652 119.113 119.800 -0.059 0.000 2.167 138 Q HA 0.019 4.358 4.340 -0.001 0.000 0.202 138 Q C 1.910 177.889 176.000 -0.035 0.000 0.970 138 Q CA 1.461 57.248 55.803 -0.027 0.000 0.855 138 Q CB -0.518 28.212 28.738 -0.014 0.000 0.911 138 Q HN 0.470 nan 8.270 nan 0.000 0.438 139 A N 1.351 124.147 122.820 -0.040 0.000 2.121 139 A HA -0.048 4.272 4.320 -0.001 0.000 0.218 139 A C 1.660 179.217 177.584 -0.044 0.000 1.154 139 A CA 0.788 52.806 52.037 -0.032 0.000 0.679 139 A CB -0.151 18.835 19.000 -0.024 0.000 0.795 139 A HN 0.331 nan 8.150 nan 0.000 0.458 140 R N -0.765 119.699 120.500 -0.059 0.000 2.552 140 R HA 0.346 4.685 4.340 -0.001 0.000 0.314 140 R C -0.706 175.542 176.300 -0.087 0.000 1.041 140 R CA -0.351 55.707 56.100 -0.070 0.000 1.076 140 R CB 0.059 30.311 30.300 -0.079 0.000 1.290 140 R HN 0.354 nan 8.270 nan 0.000 0.563 141 L N 3.030 124.207 121.223 -0.077 0.000 2.559 141 L HA -0.060 4.280 4.340 -0.001 0.000 0.274 141 L C 0.402 177.178 176.870 -0.156 0.000 1.205 141 L CA 0.811 55.593 54.840 -0.097 0.000 0.907 141 L CB 0.234 42.261 42.059 -0.053 0.000 1.153 141 L HN 0.271 nan 8.230 nan 0.000 0.490 142 Q N 5.416 125.040 119.800 -0.292 0.000 2.416 142 Q HA 0.597 4.937 4.340 -0.001 0.000 0.281 142 Q C -2.862 172.882 176.000 -0.428 0.000 1.067 142 Q CA -2.165 53.444 55.803 -0.323 0.000 0.809 142 Q CB 2.540 31.077 28.738 -0.334 0.000 1.418 142 Q HN 0.216 nan 8.270 nan 0.000 0.411 143 P HA 0.371 nan 4.420 nan 0.000 0.272 143 P C -0.283 176.907 177.300 -0.183 0.000 1.223 143 P CA 0.457 63.460 63.100 -0.162 0.000 0.784 143 P CB 1.138 32.793 31.700 -0.074 0.000 0.923 144 G N 1.139 109.947 108.800 0.014 0.000 2.340 144 G HA2 0.431 4.391 3.960 -0.001 0.000 0.299 144 G HA3 0.431 4.391 3.960 -0.001 0.000 0.299 144 G C -1.691 173.426 174.900 0.361 0.000 1.291 144 G CA -0.876 44.375 45.100 0.252 0.000 0.841 144 G HN 0.463 nan 8.290 nan 0.000 0.500 145 R N -0.980 119.754 120.500 0.389 0.000 2.740 145 R HA 0.693 5.032 4.340 -0.001 0.000 0.282 145 R C -1.366 174.971 176.300 0.062 0.000 0.969 145 R CA -0.808 55.403 56.100 0.185 0.000 0.918 145 R CB 2.122 32.439 30.300 0.028 0.000 1.175 145 R HN 0.258 nan 8.270 nan 0.000 0.464 146 L N 2.641 123.783 121.223 -0.135 0.000 2.307 146 L HA 0.495 4.834 4.340 -0.001 0.000 0.284 146 L C -1.039 175.574 176.870 -0.429 0.000 1.023 146 L CA -0.067 54.568 54.840 -0.342 0.000 0.810 146 L CB 0.941 42.719 42.059 -0.468 0.000 1.231 146 L HN 0.465 nan 8.230 nan 0.000 0.423 147 F N 2.840 122.687 119.950 -0.172 0.000 2.532 147 F HA 0.472 4.998 4.527 -0.001 0.000 0.321 147 F C -0.549 175.215 175.800 -0.060 0.000 1.089 147 F CA -0.655 57.303 58.000 -0.070 0.000 0.926 147 F CB 1.715 40.678 39.000 -0.061 0.000 1.168 147 F HN 0.322 nan 8.300 nan 0.000 0.459 148 Y N 1.293 121.635 120.300 0.070 0.000 2.429 148 Y HA 0.817 5.366 4.550 -0.001 0.000 0.342 148 Y C -0.488 175.397 175.900 -0.025 0.000 1.004 148 Y CA -0.949 57.135 58.100 -0.026 0.000 1.075 148 Y CB 1.907 40.314 38.460 -0.090 0.000 1.214 148 Y HN 0.668 nan 8.280 nan 0.000 0.455 149 G N 2.132 110.420 108.800 -0.854 0.000 2.677 149 G HA2 0.557 4.517 3.960 -0.001 0.000 0.291 149 G HA3 0.557 4.517 3.960 -0.001 0.000 0.291 149 G C -1.841 172.643 174.900 -0.694 0.000 1.435 149 G CA -0.557 44.201 45.100 -0.570 0.000 0.826 149 G HN 1.072 nan 8.290 nan 0.000 0.491 150 S N -1.175 114.319 115.700 -0.343 0.000 2.607 150 S HA 0.960 5.430 4.470 -0.001 0.000 0.273 150 S C -0.139 174.418 174.600 -0.071 0.000 1.148 150 S CA -0.012 58.072 58.200 -0.195 0.000 0.833 150 S CB 1.946 65.080 63.200 -0.110 0.000 1.130 150 S HN 2.196 nan 8.310 nan 0.000 0.470 151 G N -0.040 108.748 108.800 -0.020 0.000 2.663 151 G HA2 0.628 4.587 3.960 -0.001 0.000 0.299 151 G HA3 0.628 4.587 3.960 -0.001 0.000 0.299 151 G C -2.095 172.830 174.900 0.042 0.000 1.372 151 G CA -0.814 44.285 45.100 -0.001 0.000 0.781 151 G HN 0.745 nan 8.290 nan 0.000 0.491 152 E N -0.271 119.950 120.200 0.037 0.000 2.199 152 E HA 0.500 4.850 4.350 -0.001 0.000 0.269 152 E C -1.186 175.443 176.600 0.048 0.000 0.899 152 E CA -0.637 55.807 56.400 0.073 0.000 0.772 152 E CB 2.878 32.616 29.700 0.064 0.000 1.155 152 E HN 0.217 nan 8.360 nan 0.000 0.408 153 L N 3.932 125.214 121.223 0.098 0.000 2.345 153 L HA 0.389 4.729 4.340 -0.001 0.000 0.274 153 L C 0.249 177.221 176.870 0.169 0.000 0.999 153 L CA -0.222 54.628 54.840 0.017 0.000 0.849 153 L CB 0.604 42.467 42.059 -0.327 0.000 1.220 153 L HN 0.539 nan 8.230 nan 0.000 0.422 154 R N 1.494 122.059 120.500 0.108 0.000 2.397 154 R HA 0.096 4.435 4.340 -0.001 0.000 0.241 154 R C 0.803 177.166 176.300 0.105 0.000 0.914 154 R CA 0.287 56.461 56.100 0.125 0.000 1.071 154 R CB 0.283 30.631 30.300 0.079 0.000 1.116 154 R HN 0.674 nan 8.270 nan 0.000 0.524 155 N N -0.942 117.807 118.700 0.082 0.000 2.282 155 N HA 0.137 4.877 4.740 -0.001 0.000 0.240 155 N C 0.393 175.950 175.510 0.079 0.000 1.182 155 N CA -0.124 52.964 53.050 0.062 0.000 0.874 155 N CB 1.158 39.661 38.487 0.027 0.000 1.126 155 N HN -0.006 nan 8.380 nan 0.000 0.516 156 A N 0.033 122.942 122.820 0.148 0.000 2.571 156 A HA 0.419 4.738 4.320 -0.001 0.000 0.274 156 A C 0.198 177.954 177.584 0.288 0.000 1.196 156 A CA 0.022 52.172 52.037 0.189 0.000 0.957 156 A CB 0.069 19.144 19.000 0.125 0.000 1.150 156 A HN 0.411 nan 8.150 nan 0.000 0.539 157 S N -0.269 115.576 115.700 0.242 0.000 2.615 157 S HA 0.761 5.231 4.470 -0.001 0.000 0.268 157 S C -0.906 173.762 174.600 0.114 0.000 1.146 157 S CA -0.771 57.543 58.200 0.189 0.000 0.818 157 S CB 1.177 64.497 63.200 0.201 0.000 1.111 157 S HN 1.012 nan 8.310 nan 0.000 0.465 158 R N 0.531 121.076 120.500 0.076 0.000 2.629 158 R HA 0.521 4.860 4.340 -0.001 0.000 0.266 158 R C -1.669 174.643 176.300 0.020 0.000 1.051 158 R CA -0.809 55.316 56.100 0.041 0.000 0.895 158 R CB 1.009 31.327 30.300 0.030 0.000 1.246 158 R HN 0.586 nan 8.270 nan 0.000 0.459 159 N N 2.145 120.840 118.700 -0.008 0.000 2.442 159 N HA 0.022 4.761 4.740 -0.001 0.000 0.265 159 N C 0.384 175.890 175.510 -0.006 0.000 1.138 159 N CA -0.180 52.853 53.050 -0.028 0.000 0.956 159 N CB 1.001 39.428 38.487 -0.100 0.000 1.067 159 N HN 0.782 nan 8.380 nan 0.000 0.474 160 R N 1.276 121.776 120.500 -0.001 0.000 2.297 160 R HA 0.147 4.486 4.340 -0.001 0.000 0.197 160 R C -0.203 176.098 176.300 0.002 0.000 0.943 160 R CA 0.136 56.229 56.100 -0.012 0.000 1.038 160 R CB 0.204 30.478 30.300 -0.043 0.000 0.957 160 R HN 0.197 nan 8.270 nan 0.000 0.484 161 S N 1.039 116.753 115.700 0.024 0.000 2.399 161 S HA 0.233 4.703 4.470 -0.001 0.000 0.198 161 S C 0.654 175.297 174.600 0.071 0.000 1.294 161 S CA -0.574 57.651 58.200 0.042 0.000 1.237 161 S CB 0.730 63.962 63.200 0.054 0.000 1.286 161 S HN 0.202 nan 8.310 nan 0.000 0.404 162 L N 1.090 122.351 121.223 0.062 0.000 2.043 162 L HA -0.150 4.189 4.340 -0.001 0.000 0.212 162 L C 2.288 179.227 176.870 0.115 0.000 1.075 162 L CA 1.633 56.533 54.840 0.101 0.000 0.752 162 L CB -0.249 41.852 42.059 0.071 0.000 0.891 162 L HN 0.555 nan 8.230 nan 0.000 0.432 163 L N -0.857 120.407 121.223 0.069 0.000 2.021 163 L HA -0.302 4.037 4.340 -0.001 0.000 0.215 163 L C 2.529 179.430 176.870 0.052 0.000 1.074 163 L CA 2.148 57.018 54.840 0.050 0.000 0.760 163 L CB -0.183 41.893 42.059 0.028 0.000 0.889 163 L HN 0.181 nan 8.230 nan 0.000 0.433 164 S N -1.531 114.205 115.700 0.060 0.000 2.371 164 S HA -0.229 4.240 4.470 -0.001 0.000 0.224 164 S C 1.822 176.466 174.600 0.073 0.000 1.029 164 S CA 1.163 59.394 58.200 0.052 0.000 0.978 164 S CB -0.569 62.659 63.200 0.047 0.000 0.833 164 S HN 0.715 nan 8.310 nan 0.000 0.466 165 H N 1.898 120.983 119.070 0.025 0.000 2.352 165 H HA 0.044 4.599 4.556 -0.001 0.000 0.299 165 H C 1.544 176.893 175.328 0.036 0.000 1.097 165 H CA 1.468 57.535 56.048 0.031 0.000 1.311 165 H CB -0.418 29.369 29.762 0.041 0.000 1.377 165 H HN 0.276 nan 8.280 nan 0.000 0.504 166 L N 0.145 121.360 121.223 -0.014 0.000 2.622 166 L HA -0.051 4.288 4.340 -0.001 0.000 0.233 166 L C 1.842 178.676 176.870 -0.059 0.000 1.156 166 L CA 0.379 55.184 54.840 -0.057 0.000 0.866 166 L CB -0.225 41.854 42.059 0.034 0.000 0.980 166 L HN 0.168 nan 8.230 nan 0.000 0.448 167 K N 0.007 120.376 120.400 -0.051 0.000 2.366 167 K HA 0.077 4.396 4.320 -0.001 0.000 0.198 167 K C 0.312 176.885 176.600 -0.045 0.000 1.044 167 K CA 0.230 56.498 56.287 -0.031 0.000 0.973 167 K CB -0.111 32.382 32.500 -0.013 0.000 0.767 167 K HN 0.344 nan 8.250 nan 0.000 0.475 168 N N 1.917 120.561 118.700 -0.093 0.000 2.458 168 N HA 0.062 4.802 4.740 -0.001 0.000 0.270 168 N C -2.022 173.451 175.510 -0.062 0.000 1.102 168 N CA -1.097 51.904 53.050 -0.082 0.000 0.967 168 N CB 1.320 39.728 38.487 -0.132 0.000 1.078 168 N HN -0.129 nan 8.380 nan 0.000 0.471 169 P HA -0.060 nan 4.420 nan 0.000 0.222 169 P C 0.185 177.488 177.300 0.005 0.000 1.153 169 P CA 1.034 64.131 63.100 -0.005 0.000 0.798 169 P CB 0.218 31.923 31.700 0.008 0.000 0.796 170 D N 0.315 120.721 120.400 0.010 0.000 2.706 170 D HA 0.001 4.641 4.640 -0.001 0.000 0.236 170 D C 0.787 177.128 176.300 0.068 0.000 1.231 170 D CA -0.310 53.712 54.000 0.035 0.000 0.828 170 D CB -1.128 39.694 40.800 0.038 0.000 1.015 170 D HN 0.309 nan 8.370 nan 0.000 0.484 171 I N -3.223 117.383 120.570 0.059 0.000 3.826 171 I HA 0.432 4.602 4.170 -0.001 0.000 0.319 171 I C 0.448 176.692 176.117 0.211 0.000 1.394 171 I CA -0.901 60.491 61.300 0.153 0.000 1.197 171 I CB -0.133 37.880 38.000 0.021 0.000 1.096 171 I HN -0.077 nan 8.210 nan 0.000 0.409 172 A N 1.755 124.656 122.820 0.135 0.000 2.537 172 A HA 0.422 4.742 4.320 -0.001 0.000 0.260 172 A C 1.495 179.066 177.584 -0.020 0.000 1.082 172 A CA 0.759 52.832 52.037 0.060 0.000 0.765 172 A CB -0.725 18.300 19.000 0.041 0.000 1.019 172 A HN 1.197 nan 8.150 nan 0.000 0.507 173 G N 1.319 110.042 108.800 -0.128 0.000 2.179 173 G HA2 -0.239 3.721 3.960 -0.001 0.000 0.220 173 G HA3 -0.239 3.721 3.960 -0.001 0.000 0.220 173 G C 0.033 174.518 174.900 -0.691 0.000 0.990 173 G CA 0.567 45.416 45.100 -0.419 0.000 0.646 173 G HN 1.052 nan 8.290 nan 0.000 0.517 174 Y N 0.059 120.427 120.300 0.112 0.000 2.750 174 Y HA 0.435 4.985 4.550 -0.001 0.000 0.247 174 Y C 1.471 177.527 175.900 0.260 0.000 1.098 174 Y CA -0.108 58.097 58.100 0.175 0.000 1.120 174 Y CB 0.476 39.082 38.460 0.243 0.000 1.210 174 Y HN 0.170 nan 8.280 nan 0.000 0.601 175 E N 0.738 121.070 120.200 0.221 0.000 2.160 175 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 175 E C 1.330 178.045 176.600 0.192 0.000 0.991 175 E CA 1.806 58.317 56.400 0.184 0.000 0.810 175 E CB -0.062 29.693 29.700 0.092 0.000 0.742 175 E HN 0.550 nan 8.360 nan 0.000 0.466 176 D N -1.473 119.015 120.400 0.147 0.000 2.325 176 D HA 0.115 4.754 4.640 -0.001 0.000 0.225 176 D C 1.198 177.534 176.300 0.059 0.000 1.096 176 D CA 0.566 54.626 54.000 0.100 0.000 0.844 176 D CB 0.080 40.920 40.800 0.067 0.000 0.925 176 D HN 0.190 nan 8.370 nan 0.000 0.513 177 G N 0.128 108.942 108.800 0.024 0.000 2.205 177 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.261 177 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.261 177 G C 0.160 174.903 174.900 -0.262 0.000 0.980 177 G CA 0.237 45.099 45.100 -0.396 0.000 0.632 177 G HN 0.446 nan 8.290 nan 0.000 0.533 178 I N 1.168 121.728 120.570 -0.018 0.000 2.428 178 I HA 0.381 4.550 4.170 -0.001 0.000 0.296 178 I C -0.501 175.732 176.117 0.193 0.000 0.985 178 I CA -0.704 60.630 61.300 0.057 0.000 1.260 178 I CB 1.587 39.642 38.000 0.091 0.000 1.389 178 I HN 0.043 nan 8.210 nan 0.000 0.484 179 D N 8.253 128.745 120.400 0.153 0.000 2.473 179 D HA 0.221 4.860 4.640 -0.001 0.000 0.226 179 D C -1.654 174.764 176.300 0.197 0.000 1.089 179 D CA -2.337 51.826 54.000 0.272 0.000 0.883 179 D CB 1.281 42.144 40.800 0.106 0.000 1.029 179 D HN 0.215 nan 8.370 nan 0.000 0.517 180 P HA -0.082 nan 4.420 nan 0.000 0.237 180 P C 0.337 177.852 177.300 0.359 0.000 1.178 180 P CA 0.211 63.498 63.100 0.312 0.000 0.766 180 P CB 0.336 32.147 31.700 0.185 0.000 0.876 181 Q N 0.709 120.688 119.800 0.298 0.000 2.296 181 Q HA 0.344 4.684 4.340 -0.001 0.000 0.262 181 Q C -0.509 175.719 176.000 0.380 0.000 0.981 181 Q CA -0.160 55.809 55.803 0.277 0.000 0.905 181 Q CB 0.349 29.217 28.738 0.217 0.000 1.186 181 Q HN 0.047 nan 8.270 nan 0.000 0.399 182 M N 3.090 122.881 119.600 0.318 0.000 2.383 182 M HA 0.445 4.925 4.480 -0.001 0.000 0.325 182 M C -1.468 174.925 176.300 0.155 0.000 1.092 182 M CA -0.339 55.156 55.300 0.325 0.000 0.961 182 M CB 1.993 34.714 32.600 0.203 0.000 1.672 182 M HN 0.572 nan 8.290 nan 0.000 0.438 183 S N 2.845 118.661 115.700 0.194 0.000 2.532 183 S HA 0.814 5.283 4.470 -0.001 0.000 0.301 183 S C -1.200 173.456 174.600 0.094 0.000 1.083 183 S CA -0.708 57.516 58.200 0.041 0.000 1.025 183 S CB 2.122 65.413 63.200 0.153 0.000 1.056 183 S HN 0.594 nan 8.310 nan 0.000 0.494 184 V N 3.069 122.892 119.914 -0.151 0.000 2.623 184 V HA 0.448 4.567 4.120 -0.001 0.000 0.304 184 V C -1.227 174.799 176.094 -0.113 0.000 1.054 184 V CA -0.680 61.561 62.300 -0.098 0.000 0.882 184 V CB 1.675 33.426 31.823 -0.120 0.000 1.002 184 V HN 0.704 nan 8.190 nan 0.000 0.424 185 L N 5.850 127.056 121.223 -0.028 0.000 2.276 185 L HA 0.714 5.054 4.340 -0.001 0.000 0.286 185 L C 0.352 177.027 176.870 -0.323 0.000 1.024 185 L CA 0.244 55.018 54.840 -0.110 0.000 0.826 185 L CB 1.428 43.495 42.059 0.014 0.000 1.211 185 L HN 0.769 nan 8.230 nan 0.000 0.422 186 S N 3.508 119.029 115.700 -0.298 0.000 2.578 186 S HA 0.714 5.183 4.470 -0.001 0.000 0.283 186 S C -0.576 173.724 174.600 -0.500 0.000 1.195 186 S CA -0.541 57.511 58.200 -0.247 0.000 1.050 186 S CB 0.921 64.090 63.200 -0.052 0.000 1.012 186 S HN 0.352 nan 8.310 nan 0.000 0.511 187 F N 1.147 120.913 119.950 -0.306 0.000 2.402 187 F HA 0.523 5.049 4.527 -0.001 0.000 0.355 187 F C -0.362 175.258 175.800 -0.299 0.000 1.123 187 F CA -0.979 56.638 58.000 -0.638 0.000 1.021 187 F CB 1.655 39.828 39.000 -1.377 0.000 1.160 187 F HN 0.346 nan 8.300 nan 0.000 0.451 188 V N 3.074 123.086 119.914 0.164 0.000 2.417 188 V HA 0.292 4.412 4.120 -0.001 0.000 0.291 188 V C -0.314 176.108 176.094 0.546 0.000 1.024 188 V CA -1.020 61.488 62.300 0.348 0.000 0.861 188 V CB 1.398 33.438 31.823 0.362 0.000 0.985 188 V HN 0.719 nan 8.190 nan 0.000 0.436 189 D N 4.387 125.071 120.400 0.474 0.000 2.393 189 D HA 0.295 4.934 4.640 -0.001 0.000 0.246 189 D C 1.318 177.736 176.300 0.196 0.000 1.275 189 D CA 0.083 54.279 54.000 0.327 0.000 0.979 189 D CB 0.864 41.792 40.800 0.212 0.000 1.101 189 D HN 0.512 nan 8.370 nan 0.000 0.505 190 A N -0.266 122.613 122.820 0.098 0.000 2.125 190 A HA -0.169 4.150 4.320 -0.001 0.000 0.219 190 A C 1.373 179.005 177.584 0.079 0.000 1.156 190 A CA 0.908 52.989 52.037 0.073 0.000 0.671 190 A CB -0.689 18.327 19.000 0.027 0.000 0.794 190 A HN 0.529 nan 8.150 nan 0.000 0.459 191 N N -0.686 118.066 118.700 0.087 0.000 2.268 191 N HA 0.174 4.913 4.740 -0.001 0.000 0.204 191 N C 0.983 176.547 175.510 0.091 0.000 1.124 191 N CA 0.830 53.925 53.050 0.076 0.000 0.838 191 N CB 0.430 38.955 38.487 0.063 0.000 0.994 191 N HN 0.553 nan 8.380 nan 0.000 0.489 192 G N 1.381 110.254 108.800 0.123 0.000 2.198 192 G HA2 -0.293 3.667 3.960 -0.001 0.000 0.260 192 G HA3 -0.293 3.667 3.960 -0.001 0.000 0.260 192 G C -0.100 174.867 174.900 0.112 0.000 1.025 192 G CA 0.318 45.494 45.100 0.127 0.000 0.769 192 G HN 0.472 nan 8.290 nan 0.000 0.507 193 E N -0.607 119.675 120.200 0.136 0.000 2.191 193 E HA 0.564 4.914 4.350 -0.001 0.000 0.274 193 E C 0.510 177.219 176.600 0.181 0.000 0.948 193 E CA -1.062 55.418 56.400 0.133 0.000 0.802 193 E CB 0.767 30.540 29.700 0.122 0.000 1.137 193 E HN 0.192 nan 8.360 nan 0.000 0.397 194 L N 3.948 125.281 121.223 0.183 0.000 2.500 194 L HA 0.101 4.440 4.340 -0.001 0.000 0.272 194 L C 0.556 177.622 176.870 0.326 0.000 1.149 194 L CA 0.180 55.164 54.840 0.240 0.000 0.897 194 L CB 0.603 42.836 42.059 0.289 0.000 1.178 194 L HN 0.836 nan 8.230 nan 0.000 0.473 195 A N 3.980 126.915 122.820 0.191 0.000 1.997 195 A HA 0.491 4.811 4.320 -0.001 0.000 0.212 195 A C 0.802 178.124 177.584 -0.437 0.000 1.178 195 A CA 0.790 52.886 52.037 0.098 0.000 0.698 195 A CB 0.169 19.332 19.000 0.272 0.000 0.842 195 A HN 0.813 nan 8.150 nan 0.000 0.458 196 G N -2.868 105.592 108.800 -0.566 0.000 2.430 196 G HA2 0.667 4.626 3.960 -0.001 0.000 0.300 196 G HA3 0.667 4.626 3.960 -0.001 0.000 0.300 196 G C -1.321 173.337 174.900 -0.404 0.000 1.330 196 G CA 0.168 44.679 45.100 -0.983 0.000 0.813 196 G HN 1.399 nan 8.290 nan 0.000 0.487 197 A N -0.991 121.617 122.820 -0.352 0.000 2.597 197 A HA 0.757 5.077 4.320 -0.001 0.000 0.292 197 A C -1.713 175.658 177.584 -0.355 0.000 1.057 197 A CA -0.533 51.388 52.037 -0.195 0.000 0.674 197 A CB 0.952 19.772 19.000 -0.301 0.000 1.278 197 A HN 1.080 nan 8.150 nan 0.000 0.416 198 I N 1.436 121.706 120.570 -0.500 0.000 2.418 198 I HA 0.495 4.665 4.170 -0.001 0.000 0.287 198 I C 0.191 175.761 176.117 -0.912 0.000 1.008 198 I CA -0.502 60.249 61.300 -0.916 0.000 1.104 198 I CB 2.058 39.245 38.000 -1.356 0.000 1.264 198 I HN 0.567 nan 8.210 nan 0.000 0.438 199 S N 6.666 121.830 115.700 -0.893 0.000 2.451 199 S HA 0.532 5.001 4.470 -0.001 0.000 0.301 199 S C -1.374 172.947 174.600 -0.464 0.000 1.116 199 S CA -0.500 57.354 58.200 -0.577 0.000 1.093 199 S CB 0.961 63.764 63.200 -0.661 0.000 1.017 199 S HN 0.510 nan 8.310 nan 0.000 0.482 200 W N 5.330 126.638 121.300 0.013 0.000 2.471 200 W HA 0.569 5.229 4.660 -0.001 0.000 0.318 200 W C -1.027 175.651 176.519 0.264 0.000 1.034 200 W CA -0.997 56.414 57.345 0.111 0.000 1.224 200 W CB 1.434 30.923 29.460 0.048 0.000 1.335 200 W HN 0.692 nan 8.180 nan 0.000 0.452 201 F N 5.425 125.558 119.950 0.305 0.000 2.639 201 F HA 0.389 4.915 4.527 -0.001 0.000 0.326 201 F C -2.727 173.225 175.800 0.253 0.000 1.150 201 F CA -2.024 56.130 58.000 0.256 0.000 1.057 201 F CB 1.951 41.089 39.000 0.230 0.000 1.300 201 F HN -0.048 nan 8.300 nan 0.000 0.486 202 P HA 0.440 nan 4.420 nan 0.000 0.282 202 P C -1.443 175.626 177.300 -0.386 0.000 1.274 202 P CA -0.130 62.786 63.100 -0.306 0.000 0.770 202 P CB 1.548 33.128 31.700 -0.201 0.000 0.867 203 V N 3.961 123.877 119.914 0.005 0.000 2.841 203 V HA 0.087 4.207 4.120 -0.001 0.000 0.251 203 V C -1.174 175.057 176.094 0.229 0.000 1.757 203 V CA -0.552 61.836 62.300 0.147 0.000 0.865 203 V CB 0.640 32.603 31.823 0.234 0.000 1.254 203 V HN 0.520 nan 8.190 nan 0.000 0.483 204 H N 3.088 122.258 119.070 0.165 0.000 3.038 204 H HA 0.248 4.803 4.556 -0.001 0.000 0.338 204 H C 0.879 176.250 175.328 0.072 0.000 1.041 204 H CA 1.578 57.721 56.048 0.159 0.000 1.394 204 H CB 1.017 30.846 29.762 0.111 0.000 1.357 204 H HN 0.641 nan 8.280 nan 0.000 0.600 205 S N 2.111 117.851 115.700 0.068 0.000 3.965 205 S HA 0.062 4.532 4.470 -0.001 0.000 0.195 205 S C 0.318 174.911 174.600 -0.012 0.000 1.449 205 S CA -0.069 58.166 58.200 0.059 0.000 0.965 205 S CB -0.403 62.830 63.200 0.055 0.000 1.459 205 S HN 0.785 nan 8.310 nan 0.000 0.476 206 T N -2.508 112.034 114.554 -0.020 0.000 3.331 206 T HA 0.221 4.570 4.350 -0.001 0.000 0.282 206 T C 1.278 176.006 174.700 0.046 0.000 1.010 206 T CA -0.468 61.594 62.100 -0.063 0.000 0.928 206 T CB 0.289 69.064 68.868 -0.156 0.000 1.154 206 T HN 0.158 nan 8.240 nan 0.000 0.516 207 S N 1.827 117.560 115.700 0.055 0.000 2.383 207 S HA 0.142 4.611 4.470 -0.001 0.000 0.227 207 S C 1.007 175.614 174.600 0.012 0.000 1.026 207 S CA 0.606 58.835 58.200 0.049 0.000 0.981 207 S CB -0.255 62.987 63.200 0.070 0.000 0.818 207 S HN 0.481 nan 8.310 nan 0.000 0.472 208 M N 3.120 122.728 119.600 0.013 0.000 2.146 208 M HA 0.190 4.669 4.480 -0.001 0.000 0.352 208 M C 0.745 177.085 176.300 0.065 0.000 1.343 208 M CA -0.123 55.147 55.300 -0.051 0.000 1.115 208 M CB 0.096 32.662 32.600 -0.056 0.000 1.657 208 M HN 0.268 nan 8.290 nan 0.000 0.471 209 T N -0.206 114.323 114.554 -0.042 0.000 2.698 209 T HA 0.170 4.520 4.350 -0.001 0.000 0.295 209 T C 1.136 175.717 174.700 -0.199 0.000 1.007 209 T CA -0.377 61.641 62.100 -0.138 0.000 0.980 209 T CB 0.337 69.091 68.868 -0.190 0.000 1.036 209 T HN 0.781 nan 8.240 nan 0.000 0.526 210 N N -0.183 118.141 118.700 -0.626 0.000 2.521 210 N HA 0.070 4.810 4.740 -0.001 0.000 0.188 210 N C 1.603 176.952 175.510 -0.269 0.000 1.146 210 N CA 0.184 52.928 53.050 -0.511 0.000 0.893 210 N CB -0.084 37.976 38.487 -0.711 0.000 0.975 210 N HN 0.644 nan 8.380 nan 0.000 0.451 211 A N 0.765 123.439 122.820 -0.243 0.000 2.195 211 A HA 0.021 4.340 4.320 -0.001 0.000 0.210 211 A C 0.718 178.135 177.584 -0.277 0.000 1.165 211 A CA -0.139 51.775 52.037 -0.206 0.000 0.806 211 A CB -0.288 18.646 19.000 -0.110 0.000 0.847 211 A HN 0.417 nan 8.150 nan 0.000 0.482 212 N N -0.644 117.908 118.700 -0.247 0.000 2.529 212 N HA 0.278 5.017 4.740 -0.001 0.000 0.278 212 N C 0.043 175.381 175.510 -0.287 0.000 1.146 212 N CA 0.095 53.036 53.050 -0.182 0.000 0.980 212 N CB 0.405 38.807 38.487 -0.142 0.000 1.124 212 N HN 0.294 nan 8.380 nan 0.000 0.458 213 H N 1.208 120.306 119.070 0.047 0.000 3.058 213 H HA 0.341 4.897 4.556 -0.001 0.000 0.266 213 H C -0.567 174.793 175.328 0.054 0.000 1.135 213 H CA -0.317 55.765 56.048 0.056 0.000 1.174 213 H CB 0.417 30.207 29.762 0.047 0.000 1.581 213 H HN 0.252 nan 8.280 nan 0.000 0.553 214 L N 1.668 122.978 121.223 0.145 0.000 2.326 214 L HA 0.277 4.616 4.340 -0.001 0.000 0.278 214 L C 0.080 177.024 176.870 0.124 0.000 1.092 214 L CA -0.535 54.384 54.840 0.132 0.000 0.810 214 L CB 1.503 43.657 42.059 0.159 0.000 1.153 214 L HN 0.132 nan 8.230 nan 0.000 0.439 215 I N 2.252 122.892 120.570 0.116 0.000 2.752 215 I HA 0.028 4.197 4.170 -0.001 0.000 0.287 215 I C 0.585 176.770 176.117 0.114 0.000 1.188 215 I CA 0.892 62.248 61.300 0.094 0.000 1.427 215 I CB 0.982 39.023 38.000 0.069 0.000 1.365 215 I HN 0.622 nan 8.210 nan 0.000 0.585 216 S N 6.527 122.282 115.700 0.091 0.000 2.548 216 S HA 0.404 4.873 4.470 -0.001 0.000 0.278 216 S C -2.423 172.235 174.600 0.096 0.000 1.150 216 S CA -0.986 57.276 58.200 0.104 0.000 0.907 216 S CB 1.968 65.252 63.200 0.141 0.000 1.108 216 S HN 0.255 nan 8.310 nan 0.000 0.459 217 P HA 0.133 nan 4.420 nan 0.000 0.242 217 P C 0.411 177.797 177.300 0.144 0.000 1.197 217 P CA 0.563 63.745 63.100 0.136 0.000 0.765 217 P CB -0.160 31.655 31.700 0.191 0.000 0.936 218 D N -0.489 120.006 120.400 0.157 0.000 3.605 218 D HA -0.230 4.410 4.640 -0.001 0.000 0.258 218 D C 0.874 177.286 176.300 0.187 0.000 1.916 218 D CA 1.618 55.713 54.000 0.158 0.000 1.155 218 D CB -0.978 39.886 40.800 0.106 0.000 0.854 218 D HN 0.118 nan 8.370 nan 0.000 1.047 219 N N 0.639 119.429 118.700 0.150 0.000 2.104 219 N HA -0.156 4.583 4.740 -0.001 0.000 0.190 219 N C 1.603 177.183 175.510 0.117 0.000 1.024 219 N CA 2.288 55.421 53.050 0.138 0.000 0.853 219 N CB -0.230 38.328 38.487 0.118 0.000 1.008 219 N HN 0.340 nan 8.380 nan 0.000 0.424 220 K N -0.381 120.095 120.400 0.128 0.000 2.097 220 K HA 0.039 4.358 4.320 -0.001 0.000 0.205 220 K C 2.227 178.889 176.600 0.104 0.000 1.050 220 K CA 1.132 57.488 56.287 0.116 0.000 0.938 220 K CB -0.418 32.215 32.500 0.221 0.000 0.718 220 K HN 0.423 nan 8.250 nan 0.000 0.442 221 G N 0.319 109.217 108.800 0.162 0.000 2.408 221 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.217 221 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.217 221 G C 1.383 176.388 174.900 0.175 0.000 1.150 221 G CA 0.542 45.760 45.100 0.196 0.000 0.776 221 G HN 0.326 nan 8.290 nan 0.000 0.542 222 Y N 1.791 122.122 120.300 0.052 0.000 2.242 222 Y HA 0.113 4.662 4.550 -0.001 0.000 0.291 222 Y C 2.864 178.736 175.900 -0.047 0.000 1.137 222 Y CA 1.215 59.308 58.100 -0.012 0.000 1.181 222 Y CB -0.090 38.255 38.460 -0.192 0.000 0.989 222 Y HN 0.244 nan 8.280 nan 0.000 0.527 223 A N -0.625 122.058 122.820 -0.228 0.000 1.877 223 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 223 A C 2.401 179.819 177.584 -0.278 0.000 1.186 223 A CA 1.999 53.728 52.037 -0.513 0.000 0.620 223 A CB -1.201 17.052 19.000 -1.244 0.000 0.822 223 A HN 0.482 nan 8.150 nan 0.000 0.443 224 S N -1.748 113.931 115.700 -0.034 0.000 2.353 224 S HA -0.198 4.271 4.470 -0.001 0.000 0.222 224 S C 1.850 176.589 174.600 0.232 0.000 1.035 224 S CA 1.649 60.074 58.200 0.375 0.000 1.025 224 S CB -0.611 62.806 63.200 0.363 0.000 0.902 224 S HN 0.690 nan 8.310 nan 0.000 0.440 225 Y N 1.542 121.815 120.300 -0.045 0.000 2.128 225 Y HA -0.285 4.265 4.550 -0.001 0.000 0.284 225 Y C 2.466 178.253 175.900 -0.188 0.000 1.154 225 Y CA 2.398 60.430 58.100 -0.113 0.000 1.149 225 Y CB -0.647 37.729 38.460 -0.140 0.000 0.976 225 Y HN 0.401 nan 8.280 nan 0.000 0.505 226 H N -0.973 117.797 119.070 -0.499 0.000 2.387 226 H HA -0.245 4.310 4.556 -0.001 0.000 0.299 226 H C 1.908 176.914 175.328 -0.536 0.000 1.099 226 H CA 2.306 57.934 56.048 -0.701 0.000 1.315 226 H CB -0.630 28.509 29.762 -1.039 0.000 1.380 226 H HN 0.569 nan 8.280 nan 0.000 0.513 227 W N 1.649 122.652 121.300 -0.495 0.000 2.407 227 W HA -0.029 4.630 4.660 -0.001 0.000 0.305 227 W C 2.013 178.414 176.519 -0.198 0.000 1.196 227 W CA 1.570 58.781 57.345 -0.223 0.000 1.311 227 W CB -0.431 29.290 29.460 0.434 0.000 1.135 227 W HN 0.366 nan 8.180 nan 0.000 0.514 228 E N -1.619 118.682 120.200 0.167 0.000 2.028 228 E HA -0.254 4.096 4.350 -0.001 0.000 0.191 228 E C 2.232 178.741 176.600 -0.152 0.000 0.988 228 E CA 1.584 58.013 56.400 0.049 0.000 0.799 228 E CB -0.702 29.020 29.700 0.036 0.000 0.755 228 E HN 0.197 nan 8.360 nan 0.000 0.447 229 H N 0.498 119.302 119.070 -0.444 0.000 2.355 229 H HA -0.033 4.523 4.556 -0.001 0.000 0.303 229 H C 1.152 176.213 175.328 -0.445 0.000 1.061 229 H CA 1.274 57.001 56.048 -0.535 0.000 1.368 229 H CB 0.457 29.599 29.762 -1.033 0.000 1.412 229 H HN 0.086 nan 8.280 nan 0.000 0.523 230 D N -0.123 120.046 120.400 -0.385 0.000 2.216 230 D HA -0.027 4.612 4.640 -0.001 0.000 0.208 230 D C 2.296 178.335 176.300 -0.436 0.000 0.960 230 D CA 0.550 54.324 54.000 -0.376 0.000 0.861 230 D CB 0.267 40.799 40.800 -0.446 0.000 0.985 230 D HN 0.208 nan 8.370 nan 0.000 0.493 231 V N 0.330 119.939 119.914 -0.508 0.000 2.398 231 V HA -0.005 4.115 4.120 -0.001 0.000 0.236 231 V C 1.180 177.160 176.094 -0.191 0.000 1.054 231 V CA 0.282 62.372 62.300 -0.351 0.000 1.060 231 V CB -0.387 31.212 31.823 -0.372 0.000 0.707 231 V HN 0.074 nan 8.190 nan 0.000 0.480 232 S N -0.044 115.547 115.700 -0.183 0.000 2.546 232 S HA 0.010 4.479 4.470 -0.001 0.000 0.290 232 S C 0.945 175.405 174.600 -0.233 0.000 1.290 232 S CA -0.012 57.989 58.200 -0.332 0.000 1.069 232 S CB 0.360 63.012 63.200 -0.913 0.000 0.846 232 S HN 0.347 nan 8.310 nan 0.000 0.495 233 R N 2.444 122.849 120.500 -0.159 0.000 2.282 233 R HA 0.282 4.621 4.340 -0.001 0.000 0.195 233 R C 0.366 176.624 176.300 -0.070 0.000 0.909 233 R CA 0.310 56.346 56.100 -0.106 0.000 1.039 233 R CB 0.091 30.350 30.300 -0.069 0.000 1.015 233 R HN 0.637 nan 8.270 nan 0.000 0.513 234 K N 0.108 120.475 120.400 -0.055 0.000 2.270 234 K HA 0.196 4.516 4.320 -0.001 0.000 0.276 234 K C -0.174 176.447 176.600 0.035 0.000 1.023 234 K CA -0.011 56.287 56.287 0.019 0.000 0.955 234 K CB 1.080 33.636 32.500 0.094 0.000 0.975 234 K HN -0.075 nan 8.250 nan 0.000 0.471 235 S N 1.837 117.555 115.700 0.031 0.000 2.730 235 S HA 0.549 5.019 4.470 -0.001 0.000 0.284 235 S C 0.575 175.199 174.600 0.040 0.000 1.153 235 S CA 0.324 58.536 58.200 0.020 0.000 0.995 235 S CB 0.952 64.143 63.200 -0.015 0.000 1.058 235 S HN 0.966 nan 8.310 nan 0.000 0.552 236 G N 0.892 109.693 108.800 0.001 0.000 2.184 236 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.264 236 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.264 236 G C 0.081 174.950 174.900 -0.052 0.000 0.975 236 G CA 0.320 45.396 45.100 -0.040 0.000 0.642 236 G HN 0.694 nan 8.290 nan 0.000 0.536 237 F N 1.279 121.149 119.950 -0.133 0.000 2.543 237 F HA 0.491 5.017 4.527 -0.001 0.000 0.375 237 F C 0.402 176.071 175.800 -0.218 0.000 1.075 237 F CA 0.027 57.927 58.000 -0.168 0.000 1.225 237 F CB 0.955 39.861 39.000 -0.157 0.000 1.099 237 F HN 0.029 nan 8.300 nan 0.000 0.561 238 V N 5.850 125.328 119.914 -0.726 0.000 2.525 238 V HA 0.686 4.806 4.120 -0.001 0.000 0.299 238 V C -0.535 175.229 176.094 -0.550 0.000 1.034 238 V CA -0.766 61.228 62.300 -0.510 0.000 0.863 238 V CB 1.334 32.813 31.823 -0.573 0.000 0.999 238 V HN 0.948 nan 8.190 nan 0.000 0.423 239 A N 3.972 126.654 122.820 -0.230 0.000 2.311 239 A HA 0.926 5.245 4.320 -0.001 0.000 0.306 239 A C -0.069 177.603 177.584 0.147 0.000 1.189 239 A CA -0.275 51.677 52.037 -0.141 0.000 0.791 239 A CB 1.236 20.213 19.000 -0.038 0.000 1.172 239 A HN 1.276 nan 8.150 nan 0.000 0.481 240 A N 1.925 124.770 122.820 0.041 0.000 2.305 240 A HA 0.803 5.122 4.320 -0.001 0.000 0.322 240 A C -1.140 176.309 177.584 -0.225 0.000 1.187 240 A CA -0.331 51.744 52.037 0.064 0.000 0.825 240 A CB 0.252 19.288 19.000 0.059 0.000 1.164 240 A HN 0.700 nan 8.150 nan 0.000 0.498 241 F N 1.883 121.860 119.950 0.045 0.000 2.366 241 F HA 0.559 5.085 4.527 -0.001 0.000 0.366 241 F C 0.759 176.571 175.800 0.020 0.000 1.096 241 F CA -0.181 57.845 58.000 0.043 0.000 1.060 241 F CB 1.418 40.511 39.000 0.155 0.000 1.282 241 F HN 0.728 nan 8.300 nan 0.000 0.450 242 A N 2.999 125.780 122.820 -0.065 0.000 2.256 242 A HA 0.731 5.050 4.320 -0.001 0.000 0.318 242 A C -0.174 177.539 177.584 0.214 0.000 1.103 242 A CA -0.637 51.417 52.037 0.029 0.000 0.860 242 A CB 0.856 19.764 19.000 -0.153 0.000 1.182 242 A HN 0.564 nan 8.150 nan 0.000 0.501 243 Q N -0.785 119.199 119.800 0.307 0.000 2.204 243 Q HA 0.509 4.849 4.340 -0.001 0.000 0.254 243 Q C 0.452 176.713 176.000 0.435 0.000 0.981 243 Q CA 0.217 56.230 55.803 0.350 0.000 0.897 243 Q CB 1.683 30.621 28.738 0.333 0.000 1.273 243 Q HN 0.992 nan 8.270 nan 0.000 0.464 244 T N -2.846 111.920 114.554 0.353 0.000 2.614 244 T HA 0.170 4.519 4.350 -0.001 0.000 0.163 244 T C 0.076 174.983 174.700 0.346 0.000 0.806 244 T CA -0.433 61.861 62.100 0.323 0.000 1.020 244 T CB -0.146 68.862 68.868 0.233 0.000 2.539 244 T HN 0.670 nan 8.240 nan 0.000 0.380 245 N N 1.613 120.436 118.700 0.204 0.000 2.816 245 N HA 0.548 5.288 4.740 -0.001 0.000 0.236 245 N C -0.158 175.440 175.510 0.147 0.000 1.076 245 N CA -0.553 52.582 53.050 0.142 0.000 0.902 245 N CB 1.599 40.031 38.487 -0.093 0.000 1.149 245 N HN 0.638 nan 8.380 nan 0.000 0.506 246 A N 1.040 124.015 122.820 0.259 0.000 2.574 246 A HA 0.375 4.694 4.320 -0.001 0.000 0.283 246 A C 1.779 179.644 177.584 0.469 0.000 1.270 246 A CA -0.173 52.046 52.037 0.302 0.000 0.945 246 A CB -0.104 19.081 19.000 0.308 0.000 1.127 246 A HN 0.655 nan 8.150 nan 0.000 0.522 247 G N 1.766 110.806 108.800 0.401 0.000 2.469 247 G HA2 -0.276 3.684 3.960 -0.001 0.000 0.220 247 G HA3 -0.276 3.684 3.960 -0.001 0.000 0.220 247 G C 0.903 176.145 174.900 0.570 0.000 1.136 247 G CA 1.282 46.726 45.100 0.573 0.000 0.759 247 G HN 0.722 nan 8.290 nan 0.000 0.562 248 N N -0.620 118.274 118.700 0.324 0.000 2.282 248 N HA 0.229 4.968 4.740 -0.001 0.000 0.240 248 N C -0.329 175.253 175.510 0.121 0.000 1.182 248 N CA -0.258 52.905 53.050 0.188 0.000 0.874 248 N CB -0.019 38.543 38.487 0.125 0.000 1.126 248 N HN 0.217 nan 8.380 nan 0.000 0.516 249 L N 0.383 121.724 121.223 0.197 0.000 2.313 249 L HA 0.492 4.831 4.340 -0.001 0.000 0.283 249 L C -0.050 176.928 176.870 0.181 0.000 1.013 249 L CA -0.704 54.222 54.840 0.143 0.000 0.816 249 L CB 1.839 43.964 42.059 0.109 0.000 1.236 249 L HN 0.066 nan 8.230 nan 0.000 0.419 250 S N 3.833 119.588 115.700 0.093 0.000 2.532 250 S HA 0.585 5.055 4.470 -0.001 0.000 0.301 250 S C -1.955 172.708 174.600 0.105 0.000 1.083 250 S CA -1.542 56.704 58.200 0.077 0.000 1.025 250 S CB 1.832 65.030 63.200 -0.003 0.000 1.056 250 S HN 0.456 nan 8.310 nan 0.000 0.494 251 P HA 0.072 nan 4.420 nan 0.000 0.235 251 P C -0.444 176.906 177.300 0.084 0.000 1.177 251 P CA 0.194 63.370 63.100 0.127 0.000 0.785 251 P CB -0.037 31.746 31.700 0.138 0.000 0.885 252 N N 1.515 120.247 118.700 0.053 0.000 2.605 252 N HA 0.049 4.789 4.740 -0.001 0.000 0.258 252 N C 1.085 176.603 175.510 0.014 0.000 1.156 252 N CA -0.125 52.941 53.050 0.027 0.000 1.008 252 N CB 0.446 38.937 38.487 0.007 0.000 1.354 252 N HN -0.037 nan 8.380 nan 0.000 0.509 253 L N 1.727 122.958 121.223 0.013 0.000 2.263 253 L HA -0.181 4.159 4.340 -0.001 0.000 0.216 253 L C 1.613 178.473 176.870 -0.018 0.000 1.111 253 L CA 1.481 56.321 54.840 0.000 0.000 0.773 253 L CB -0.748 41.304 42.059 -0.012 0.000 0.906 253 L HN 0.522 nan 8.230 nan 0.000 0.439 254 N N -1.730 116.953 118.700 -0.028 0.000 2.368 254 N HA 0.211 4.951 4.740 -0.001 0.000 0.178 254 N C 1.192 176.688 175.510 -0.024 0.000 1.021 254 N CA 1.175 54.206 53.050 -0.032 0.000 0.875 254 N CB 0.602 39.063 38.487 -0.042 0.000 1.020 254 N HN 0.226 nan 8.380 nan 0.000 0.433 255 L N -1.351 119.857 121.223 -0.024 0.000 1.033 255 L HA 0.183 4.523 4.340 -0.001 0.000 0.503 255 L C 0.427 177.274 176.870 -0.039 0.000 0.795 255 L CA 0.218 55.041 54.840 -0.029 0.000 1.853 255 L CB -1.390 40.652 42.059 -0.028 0.000 1.323 255 L HN 0.089 nan 8.230 nan 0.000 0.377 256 K N -0.572 119.806 120.400 -0.037 0.000 2.958 256 K HA 0.316 4.636 4.320 -0.001 0.000 0.299 256 K C -2.661 173.916 176.600 -0.039 0.000 2.901 256 K CA 1.396 57.653 56.287 -0.050 0.000 1.550 256 K CB -0.326 32.139 32.500 -0.059 0.000 3.146 256 K HN 0.289 nan 8.250 nan 0.000 0.326 257 P HA 0.442 nan 4.420 nan 0.000 0.271 257 P C -0.702 176.606 177.300 0.012 0.000 1.847 257 P CA -0.081 63.010 63.100 -0.015 0.000 1.211 257 P CB 0.625 32.307 31.700 -0.030 0.000 1.801 258 G N 0.122 108.926 108.800 0.007 0.000 3.298 258 G HA2 0.291 4.250 3.960 -0.001 0.000 0.303 258 G HA3 0.291 4.250 3.960 -0.001 0.000 0.303 258 G C 0.604 175.486 174.900 -0.030 0.000 1.668 258 G CA -0.119 44.980 45.100 -0.002 0.000 0.733 258 G HN 0.113 nan 8.290 nan 0.000 0.453 259 S N 1.115 116.809 115.700 -0.011 0.000 2.396 259 S HA 0.268 4.738 4.470 -0.001 0.000 0.204 259 S C 1.853 176.390 174.600 -0.104 0.000 1.060 259 S CA 1.206 59.393 58.200 -0.021 0.000 1.098 259 S CB -0.701 62.524 63.200 0.041 0.000 1.022 259 S HN 0.928 nan 8.310 nan 0.000 0.413 260 G N 2.185 110.860 108.800 -0.208 0.000 2.873 260 G HA2 0.392 4.351 3.960 -0.001 0.000 0.170 260 G HA3 0.392 4.351 3.960 -0.001 0.000 0.170 260 G C -2.305 172.318 174.900 -0.462 0.000 1.608 260 G CA -0.548 44.367 45.100 -0.309 0.000 1.084 260 G HN 0.507 nan 8.290 nan 0.000 0.563 261 P HA 0.261 nan 4.420 nan 0.000 0.220 261 P C -0.992 175.868 177.300 -0.733 0.000 1.778 261 P CA 0.083 62.835 63.100 -0.581 0.000 0.912 261 P CB -0.557 30.884 31.700 -0.431 0.000 1.861 262 F N 1.046 120.999 119.950 0.004 0.000 2.518 262 F HA 0.316 4.842 4.527 -0.001 0.000 0.338 262 F C 1.719 177.522 175.800 0.006 0.000 1.065 262 F CA -0.640 57.365 58.000 0.007 0.000 1.012 262 F CB 1.617 40.624 39.000 0.012 0.000 1.297 262 F HN -0.037 nan 8.300 nan 0.000 0.489 263 D N -1.591 118.958 120.400 0.249 0.000 2.498 263 D HA 0.009 4.649 4.640 -0.001 0.000 0.223 263 D C -0.430 175.945 176.300 0.126 0.000 1.125 263 D CA 0.195 54.274 54.000 0.133 0.000 0.835 263 D CB 0.402 41.266 40.800 0.106 0.000 1.086 263 D HN 0.304 nan 8.370 nan 0.000 0.510 264 N N 1.774 120.580 118.700 0.176 0.000 2.354 264 N HA 0.010 4.750 4.740 -0.001 0.000 0.287 264 N C 1.027 176.611 175.510 0.123 0.000 1.016 264 N CA -0.109 53.021 53.050 0.133 0.000 0.871 264 N CB 2.592 41.149 38.487 0.117 0.000 1.299 264 N HN 0.077 nan 8.380 nan 0.000 0.482 265 E N 2.942 123.173 120.200 0.052 0.000 2.118 265 E HA -0.190 4.159 4.350 -0.001 0.000 0.195 265 E C 0.751 177.321 176.600 -0.051 0.000 0.992 265 E CA 1.355 57.726 56.400 -0.048 0.000 0.804 265 E CB -0.325 29.258 29.700 -0.196 0.000 0.741 265 E HN 0.541 nan 8.360 nan 0.000 0.458 266 F N 2.245 122.234 119.950 0.065 0.000 2.146 266 F HA -0.107 4.419 4.527 -0.001 0.000 0.298 266 F C 2.137 178.057 175.800 0.200 0.000 1.096 266 F CA 1.430 59.515 58.000 0.143 0.000 1.275 266 F CB -0.156 38.837 39.000 -0.013 0.000 1.008 266 F HN -0.060 nan 8.300 nan 0.000 0.480 267 D N 0.016 120.545 120.400 0.216 0.000 2.144 267 D HA -0.162 4.477 4.640 -0.001 0.000 0.199 267 D C 1.729 177.995 176.300 -0.057 0.000 0.984 267 D CA 1.239 55.204 54.000 -0.058 0.000 0.834 267 D CB -0.730 39.879 40.800 -0.318 0.000 0.955 267 D HN 0.406 nan 8.370 nan 0.000 0.465 268 N N -0.144 118.622 118.700 0.110 0.000 2.084 268 N HA -0.104 4.635 4.740 -0.001 0.000 0.190 268 N C 1.719 177.284 175.510 0.091 0.000 1.030 268 N CA 1.317 54.478 53.050 0.185 0.000 0.849 268 N CB 0.026 38.613 38.487 0.167 0.000 1.012 268 N HN 0.041 nan 8.380 nan 0.000 0.423 269 T N 0.791 115.399 114.554 0.089 0.000 2.652 269 T HA -0.189 4.160 4.350 -0.001 0.000 0.267 269 T C 1.848 176.477 174.700 -0.118 0.000 1.039 269 T CA 1.136 63.286 62.100 0.084 0.000 1.153 269 T CB -0.198 68.818 68.868 0.247 0.000 0.863 269 T HN 0.256 nan 8.240 nan 0.000 0.428 270 R N 0.760 121.041 120.500 -0.365 0.000 2.073 270 R HA -0.135 4.205 4.340 -0.001 0.000 0.234 270 R C 2.443 178.413 176.300 -0.550 0.000 1.134 270 R CA 1.757 57.210 56.100 -1.078 0.000 0.952 270 R CB -0.193 29.366 30.300 -1.235 0.000 0.850 270 R HN 0.234 nan 8.270 nan 0.000 0.433 271 E N 0.571 120.620 120.200 -0.252 0.000 2.072 271 E HA -0.135 4.215 4.350 -0.001 0.000 0.191 271 E C 1.785 178.380 176.600 -0.008 0.000 0.985 271 E CA 1.324 57.678 56.400 -0.077 0.000 0.801 271 E CB -0.096 29.677 29.700 0.122 0.000 0.750 271 E HN 0.335 nan 8.360 nan 0.000 0.452 272 I N 0.254 120.838 120.570 0.024 0.000 2.315 272 I HA -0.087 4.083 4.170 -0.001 0.000 0.248 272 I C 2.279 178.419 176.117 0.038 0.000 1.117 272 I CA 1.420 62.754 61.300 0.057 0.000 1.404 272 I CB -1.565 36.493 38.000 0.096 0.000 1.071 272 I HN 0.258 nan 8.210 nan 0.000 0.419 273 G N 0.863 109.679 108.800 0.027 0.000 2.408 273 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.217 273 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.217 273 G C 1.679 176.603 174.900 0.039 0.000 1.150 273 G CA 0.170 45.303 45.100 0.055 0.000 0.776 273 G HN 0.201 nan 8.290 nan 0.000 0.542 274 L N 0.803 122.047 121.223 0.035 0.000 2.017 274 L HA 0.050 4.389 4.340 -0.001 0.000 0.208 274 L C 2.928 179.829 176.870 0.052 0.000 1.073 274 L CA 1.497 56.340 54.840 0.007 0.000 0.745 274 L CB -0.809 41.193 42.059 -0.095 0.000 0.894 274 L HN 0.181 nan 8.230 nan 0.000 0.432 275 R N -1.223 119.279 120.500 0.004 0.000 2.096 275 R HA -0.159 4.180 4.340 -0.001 0.000 0.235 275 R C 2.144 178.400 176.300 -0.073 0.000 1.127 275 R CA 1.363 57.446 56.100 -0.029 0.000 0.968 275 R CB -0.258 30.025 30.300 -0.028 0.000 0.861 275 R HN 0.557 nan 8.270 nan 0.000 0.440 276 Q N -0.320 119.446 119.800 -0.058 0.000 2.083 276 Q HA -0.150 4.190 4.340 -0.001 0.000 0.198 276 Q C 1.885 177.953 176.000 0.114 0.000 0.969 276 Q CA 1.362 57.136 55.803 -0.049 0.000 0.838 276 Q CB -0.184 28.568 28.738 0.023 0.000 0.900 276 Q HN 0.286 nan 8.270 nan 0.000 0.436 277 F N 1.516 121.423 119.950 -0.071 0.000 2.102 277 F HA -0.192 4.335 4.527 -0.001 0.000 0.298 277 F C 2.138 177.898 175.800 -0.066 0.000 1.105 277 F CA 1.406 59.401 58.000 -0.008 0.000 1.239 277 F CB -0.523 38.404 39.000 -0.122 0.000 0.991 277 F HN -0.007 nan 8.300 nan 0.000 0.474 278 A N 0.383 122.987 122.820 -0.361 0.000 1.892 278 A HA -0.290 4.029 4.320 -0.001 0.000 0.218 278 A C 2.211 179.593 177.584 -0.337 0.000 1.188 278 A CA 2.261 54.041 52.037 -0.428 0.000 0.631 278 A CB -0.990 17.927 19.000 -0.139 0.000 0.822 278 A HN 0.466 nan 8.150 nan 0.000 0.447 279 K N -0.146 120.127 120.400 -0.212 0.000 2.026 279 K HA -0.016 4.304 4.320 -0.001 0.000 0.208 279 K C 2.036 178.544 176.600 -0.154 0.000 1.048 279 K CA 1.688 57.879 56.287 -0.159 0.000 0.929 279 K CB -0.520 31.886 32.500 -0.157 0.000 0.713 279 K HN 0.339 nan 8.250 nan 0.000 0.439 280 A N -0.473 122.270 122.820 -0.127 0.000 1.933 280 A HA -0.167 4.153 4.320 -0.001 0.000 0.218 280 A C 2.194 179.666 177.584 -0.187 0.000 1.175 280 A CA 1.570 53.568 52.037 -0.065 0.000 0.628 280 A CB -0.955 18.129 19.000 0.140 0.000 0.814 280 A HN 0.563 nan 8.150 nan 0.000 0.444 281 Y N 0.316 120.184 120.300 -0.720 0.000 2.200 281 Y HA -0.175 4.374 4.550 -0.001 0.000 0.290 281 Y C 2.431 178.111 175.900 -0.367 0.000 1.137 281 Y CA 2.162 59.771 58.100 -0.817 0.000 1.163 281 Y CB -0.093 37.529 38.460 -1.397 0.000 0.988 281 Y HN 0.509 nan 8.280 nan 0.000 0.518 282 E N 0.235 120.328 120.200 -0.179 0.000 2.047 282 E HA -0.211 4.139 4.350 -0.001 0.000 0.191 282 E C 2.137 178.648 176.600 -0.149 0.000 0.987 282 E CA 1.752 58.075 56.400 -0.129 0.000 0.799 282 E CB -0.318 29.327 29.700 -0.091 0.000 0.752 282 E HN 0.614 nan 8.360 nan 0.000 0.449 283 I N 1.152 121.641 120.570 -0.136 0.000 2.226 283 I HA -0.255 3.914 4.170 -0.001 0.000 0.245 283 I C 2.649 178.687 176.117 -0.132 0.000 1.100 283 I CA 1.068 62.294 61.300 -0.123 0.000 1.374 283 I CB -0.355 37.575 38.000 -0.116 0.000 1.057 283 I HN 0.164 nan 8.210 nan 0.000 0.413 284 A N 0.885 123.637 122.820 -0.113 0.000 1.933 284 A HA -0.116 4.203 4.320 -0.001 0.000 0.218 284 A C 2.422 179.906 177.584 -0.168 0.000 1.175 284 A CA 1.805 53.792 52.037 -0.084 0.000 0.628 284 A CB -1.353 17.700 19.000 0.089 0.000 0.814 284 A HN 0.470 nan 8.150 nan 0.000 0.444 285 G N -0.921 107.737 108.800 -0.238 0.000 2.443 285 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.219 285 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.219 285 G C 1.513 176.298 174.900 -0.193 0.000 1.131 285 G CA 0.876 45.831 45.100 -0.241 0.000 0.775 285 G HN 0.666 nan 8.290 nan 0.000 0.547 286 Q N -0.267 119.434 119.800 -0.166 0.000 2.311 286 Q HA 0.332 4.671 4.340 -0.001 0.000 0.203 286 Q C 1.709 177.606 176.000 -0.170 0.000 0.954 286 Q CA 0.290 56.011 55.803 -0.136 0.000 0.885 286 Q CB -0.041 28.639 28.738 -0.097 0.000 0.963 286 Q HN 0.440 nan 8.270 nan 0.000 0.471 287 A N 1.380 124.059 122.820 -0.235 0.000 2.462 287 A HA -0.348 3.971 4.320 -0.001 0.000 0.294 287 A C 1.034 178.560 177.584 -0.096 0.000 1.461 287 A CA 1.032 52.851 52.037 -0.364 0.000 0.765 287 A CB -1.667 16.800 19.000 -0.887 0.000 1.071 287 A HN 0.571 nan 8.150 nan 0.000 0.401 288 Q N -0.275 119.521 119.800 -0.007 0.000 2.062 288 Q HA -0.171 4.168 4.340 -0.001 0.000 0.209 288 Q C 1.028 177.131 176.000 0.172 0.000 0.996 288 Q CA 1.892 57.734 55.803 0.065 0.000 0.859 288 Q CB 0.108 28.869 28.738 0.037 0.000 0.920 288 Q HN 0.973 nan 8.270 nan 0.000 0.415 289 E N 0.400 120.764 120.200 0.272 0.000 2.281 289 E HA 0.149 4.498 4.350 -0.001 0.000 0.266 289 E C -1.585 175.190 176.600 0.292 0.000 0.893 289 E CA -0.245 56.325 56.400 0.283 0.000 0.798 289 E CB 1.458 31.326 29.700 0.280 0.000 1.245 289 E HN 0.114 nan 8.360 nan 0.000 0.410 290 E N 3.132 123.441 120.200 0.182 0.000 2.392 290 E HA 0.147 4.496 4.350 -0.001 0.000 0.264 290 E C -0.824 175.712 176.600 -0.107 0.000 1.024 290 E CA -0.455 55.808 56.400 -0.228 0.000 0.903 290 E CB 0.980 30.447 29.700 -0.388 0.000 0.963 290 E HN 0.248 nan 8.360 nan 0.000 0.432 291 V N 6.176 125.999 119.914 -0.151 0.000 2.498 291 V HA 0.331 4.451 4.120 -0.001 0.000 0.279 291 V C 0.179 176.341 176.094 0.114 0.000 1.048 291 V CA -0.183 62.103 62.300 -0.024 0.000 0.967 291 V CB 0.513 32.279 31.823 -0.095 0.000 0.988 291 V HN 0.585 nan 8.190 nan 0.000 0.473 292 L N 3.840 125.135 121.223 0.120 0.000 2.466 292 L HA 0.935 5.275 4.340 -0.001 0.000 0.258 292 L C 0.101 177.034 176.870 0.105 0.000 0.973 292 L CA -0.276 54.634 54.840 0.117 0.000 0.826 292 L CB 2.401 44.463 42.059 0.004 0.000 1.372 292 L HN 0.930 nan 8.230 nan 0.000 0.409 293 G N 1.020 109.866 108.800 0.076 0.000 2.371 293 G HA2 0.010 3.969 3.960 -0.001 0.000 0.663 293 G HA3 0.010 3.969 3.960 -0.001 0.000 0.663 293 G C -1.053 173.910 174.900 0.104 0.000 1.311 293 G CA -0.456 44.678 45.100 0.056 0.000 0.985 293 G HN 0.863 nan 8.290 nan 0.000 0.566 294 E N -1.019 119.218 120.200 0.062 0.000 2.428 294 E HA 0.514 4.864 4.350 -0.001 0.000 0.257 294 E C -0.544 176.117 176.600 0.102 0.000 1.197 294 E CA -0.403 56.039 56.400 0.071 0.000 0.974 294 E CB 0.893 30.613 29.700 0.033 0.000 0.976 294 E HN 0.449 nan 8.360 nan 0.000 0.463 295 L N 1.233 122.507 121.223 0.085 0.000 2.346 295 L HA 0.529 4.868 4.340 -0.001 0.000 0.274 295 L C -0.801 176.074 176.870 0.008 0.000 1.007 295 L CA -0.157 54.711 54.840 0.046 0.000 0.818 295 L CB 1.765 43.855 42.059 0.051 0.000 1.284 295 L HN 0.741 nan 8.230 nan 0.000 0.424 296 D N 0.122 120.513 120.400 -0.016 0.000 2.671 296 D HA 0.729 5.369 4.640 -0.001 0.000 0.273 296 D C -1.637 174.667 176.300 0.005 0.000 1.264 296 D CA 0.024 54.022 54.000 -0.002 0.000 0.788 296 D CB 2.201 43.017 40.800 0.028 0.000 1.324 296 D HN 0.534 nan 8.370 nan 0.000 0.424 297 S N 0.432 116.165 115.700 0.055 0.000 2.611 297 S HA 0.873 5.342 4.470 -0.001 0.000 0.268 297 S C -1.573 173.136 174.600 0.181 0.000 1.156 297 S CA -0.973 57.327 58.200 0.166 0.000 0.817 297 S CB 2.318 65.599 63.200 0.135 0.000 1.122 297 S HN 0.428 nan 8.310 nan 0.000 0.466 298 R N 0.280 120.928 120.500 0.247 0.000 2.604 298 R HA 0.667 5.006 4.340 -0.001 0.000 0.270 298 R C -2.028 174.426 176.300 0.256 0.000 1.052 298 R CA -0.511 55.707 56.100 0.197 0.000 0.902 298 R CB 1.625 31.998 30.300 0.121 0.000 1.233 298 R HN 0.830 nan 8.270 nan 0.000 0.455 299 F N 1.290 121.267 119.950 0.045 0.000 2.601 299 F HA 0.659 5.185 4.527 -0.001 0.000 0.309 299 F C -1.109 174.651 175.800 -0.066 0.000 1.089 299 F CA -0.608 57.380 58.000 -0.021 0.000 0.940 299 F CB 1.913 40.906 39.000 -0.011 0.000 1.273 299 F HN 0.297 nan 8.300 nan 0.000 0.450 300 R N 4.896 124.784 120.500 -1.020 0.000 2.560 300 R HA 0.289 4.628 4.340 -0.001 0.000 0.267 300 R C -2.271 173.568 176.300 -0.769 0.000 1.150 300 R CA -0.538 55.206 56.100 -0.594 0.000 0.997 300 R CB 1.265 31.401 30.300 -0.273 0.000 1.250 300 R HN 0.637 nan 8.270 nan 0.000 0.433 301 F N 3.137 122.914 119.950 -0.289 0.000 2.420 301 F HA 0.315 4.841 4.527 -0.001 0.000 0.352 301 F C 0.378 176.125 175.800 -0.087 0.000 1.108 301 F CA -0.178 57.736 58.000 -0.144 0.000 1.162 301 F CB 1.463 40.512 39.000 0.081 0.000 1.118 301 F HN 0.031 nan 8.300 nan 0.000 0.510 302 V N 3.302 123.302 119.914 0.142 0.000 2.448 302 V HA 0.188 4.308 4.120 -0.001 0.000 0.295 302 V C -0.561 175.650 176.094 0.196 0.000 1.025 302 V CA -1.025 61.345 62.300 0.118 0.000 0.859 302 V CB 1.730 33.609 31.823 0.092 0.000 0.988 302 V HN 0.533 nan 8.190 nan 0.000 0.431 303 D N 3.170 123.641 120.400 0.118 0.000 2.336 303 D HA 0.223 4.862 4.640 -0.001 0.000 0.249 303 D C 0.460 176.834 176.300 0.124 0.000 1.213 303 D CA -0.077 53.986 54.000 0.106 0.000 0.870 303 D CB 0.706 41.537 40.800 0.052 0.000 1.076 303 D HN 0.330 nan 8.370 nan 0.000 0.483 304 F N 1.544 121.355 119.950 -0.232 0.000 2.558 304 F HA 0.013 4.539 4.527 -0.001 0.000 0.298 304 F C 1.454 177.109 175.800 -0.242 0.000 1.119 304 F CA 0.314 58.096 58.000 -0.362 0.000 1.451 304 F CB -0.617 37.936 39.000 -0.745 0.000 1.091 304 F HN 0.228 nan 8.300 nan 0.000 0.563 305 T N 3.109 117.685 114.554 0.036 0.000 2.708 305 T HA 0.004 4.353 4.350 -0.001 0.000 0.271 305 T C 0.749 175.444 174.700 -0.008 0.000 0.985 305 T CA 0.021 62.141 62.100 0.034 0.000 1.229 305 T CB -0.404 68.492 68.868 0.047 0.000 0.934 305 T HN 0.260 nan 8.240 nan 0.000 0.522 306 R N 0.363 120.858 120.500 -0.009 0.000 3.525 306 R HA -0.153 4.186 4.340 -0.001 0.000 0.276 306 R C 0.107 176.360 176.300 -0.079 0.000 1.116 306 R CA -0.022 56.061 56.100 -0.028 0.000 0.745 306 R CB -1.835 28.459 30.300 -0.012 0.000 1.185 306 R HN 0.619 nan 8.270 nan 0.000 0.454 307 L N 1.887 123.022 121.223 -0.147 0.000 2.462 307 L HA 0.158 4.497 4.340 -0.001 0.000 0.272 307 L C -1.760 174.996 176.870 -0.190 0.000 1.166 307 L CA -1.438 53.271 54.840 -0.218 0.000 0.880 307 L CB 0.640 42.447 42.059 -0.421 0.000 1.142 307 L HN -0.140 nan 8.230 nan 0.000 0.473 308 P HA 0.179 nan 4.420 nan 0.000 0.271 308 P C -0.981 176.222 177.300 -0.161 0.000 1.226 308 P CA 0.322 63.343 63.100 -0.132 0.000 0.765 308 P CB 0.477 32.116 31.700 -0.102 0.000 0.835 309 I N 3.814 124.294 120.570 -0.151 0.000 2.355 309 I HA 0.337 4.506 4.170 -0.001 0.000 0.288 309 I C 0.831 176.889 176.117 -0.098 0.000 0.999 309 I CA -0.905 60.303 61.300 -0.155 0.000 1.163 309 I CB 1.221 39.118 38.000 -0.171 0.000 1.316 309 I HN 0.127 nan 8.210 nan 0.000 0.454 310 R N 7.162 127.659 120.500 -0.005 0.000 2.623 310 R HA 0.080 4.419 4.340 -0.001 0.000 0.271 310 R C -1.262 175.051 176.300 0.022 0.000 1.043 310 R CA -1.107 55.021 56.100 0.047 0.000 1.083 310 R CB 0.325 30.712 30.300 0.145 0.000 0.974 310 R HN 0.427 nan 8.270 nan 0.000 0.436 311 P HA -0.250 nan 4.420 nan 0.000 0.218 311 P C 0.652 177.868 177.300 -0.141 0.000 1.146 311 P CA 1.485 64.508 63.100 -0.129 0.000 0.813 311 P CB 0.120 31.755 31.700 -0.109 0.000 0.778 312 E N -0.413 119.700 120.200 -0.146 0.000 2.418 312 E HA -0.114 4.235 4.350 -0.001 0.000 0.197 312 E C 1.161 177.508 176.600 -0.421 0.000 1.026 312 E CA 0.769 56.990 56.400 -0.297 0.000 0.862 312 E CB -0.885 28.576 29.700 -0.399 0.000 0.799 312 E HN 0.311 nan 8.360 nan 0.000 0.518 313 F N 1.677 121.564 119.950 -0.105 0.000 2.721 313 F HA 0.113 4.640 4.527 -0.001 0.000 0.301 313 F C 1.857 177.588 175.800 -0.116 0.000 1.096 313 F CA 0.553 58.514 58.000 -0.065 0.000 1.308 313 F CB 0.493 39.469 39.000 -0.040 0.000 1.086 313 F HN 0.048 nan 8.300 nan 0.000 0.587 314 T N -2.653 111.792 114.554 -0.183 0.000 2.235 314 T HA 0.118 4.468 4.350 -0.001 0.000 0.194 314 T C 0.842 175.320 174.700 -0.370 0.000 0.754 314 T CA 0.373 62.069 62.100 -0.674 0.000 1.547 314 T CB -0.224 67.922 68.868 -1.202 0.000 3.195 314 T HN 0.024 nan 8.240 nan 0.000 0.408 315 D N -0.771 119.382 120.400 -0.412 0.000 2.431 315 D HA 0.377 5.016 4.640 -0.001 0.000 0.213 315 D C 1.357 177.599 176.300 -0.097 0.000 1.130 315 D CA 0.359 54.303 54.000 -0.093 0.000 0.834 315 D CB 0.050 40.886 40.800 0.060 0.000 0.985 315 D HN 1.092 nan 8.370 nan 0.000 0.504 316 G N -0.339 108.368 108.800 -0.154 0.000 2.211 316 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.201 316 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.201 316 G C -0.083 174.746 174.900 -0.118 0.000 0.997 316 G CA -0.462 44.571 45.100 -0.112 0.000 0.652 316 G HN 0.261 nan 8.290 nan 0.000 0.500 317 Q N 0.458 120.163 119.800 -0.158 0.000 2.365 317 Q HA 0.505 4.844 4.340 -0.001 0.000 0.269 317 Q C -2.761 173.123 176.000 -0.193 0.000 1.061 317 Q CA -1.874 53.845 55.803 -0.140 0.000 0.816 317 Q CB 2.388 31.064 28.738 -0.103 0.000 1.325 317 Q HN 0.136 nan 8.270 nan 0.000 0.446 318 P HA 0.131 nan 4.420 nan 0.000 0.269 318 P C -0.528 176.666 177.300 -0.176 0.000 1.209 318 P CA 0.125 63.137 63.100 -0.146 0.000 0.776 318 P CB 0.701 32.345 31.700 -0.093 0.000 0.876 319 R N 1.775 122.155 120.500 -0.201 0.000 2.799 319 R HA 0.492 4.831 4.340 -0.001 0.000 0.270 319 R C -0.639 175.593 176.300 -0.113 0.000 1.010 319 R CA -0.839 55.153 56.100 -0.179 0.000 0.916 319 R CB 1.505 31.591 30.300 -0.356 0.000 1.228 319 R HN 0.507 nan 8.270 nan 0.000 0.469 320 Q N 0.891 120.661 119.800 -0.049 0.000 2.347 320 Q HA 0.377 4.716 4.340 -0.001 0.000 0.271 320 Q C -0.698 175.305 176.000 0.005 0.000 1.064 320 Q CA -1.228 54.549 55.803 -0.043 0.000 0.800 320 Q CB 2.626 31.345 28.738 -0.032 0.000 1.304 320 Q HN 0.176 nan 8.270 nan 0.000 0.438 321 L N 1.653 122.859 121.223 -0.029 0.000 2.506 321 L HA 0.028 4.367 4.340 -0.001 0.000 0.281 321 L C -0.267 176.650 176.870 0.078 0.000 1.228 321 L CA 0.396 55.251 54.840 0.024 0.000 0.850 321 L CB 0.286 42.296 42.059 -0.081 0.000 1.110 321 L HN 0.785 nan 8.230 nan 0.000 0.496 322 C N 0.884 120.264 119.300 0.134 0.000 2.500 322 C HA 0.570 5.029 4.460 -0.001 0.000 0.367 322 C C 0.802 175.909 174.990 0.194 0.000 1.283 322 C CA -0.936 58.157 59.018 0.125 0.000 2.456 322 C CB 0.344 28.144 27.740 0.101 0.000 2.457 322 C HN 0.898 nan 8.230 nan 0.000 0.632 323 T N 0.092 114.730 114.554 0.141 0.000 2.868 323 T HA 0.495 4.845 4.350 -0.001 0.000 0.292 323 T C 0.219 174.997 174.700 0.131 0.000 1.028 323 T CA -0.315 61.886 62.100 0.167 0.000 1.059 323 T CB 0.440 69.360 68.868 0.087 0.000 0.991 323 T HN 1.110 nan 8.240 nan 0.000 0.531 324 A N 1.147 124.031 122.820 0.107 0.000 2.565 324 A HA 0.537 4.856 4.320 -0.001 0.000 0.237 324 A C 0.565 178.093 177.584 -0.093 0.000 1.053 324 A CA -0.042 51.924 52.037 -0.118 0.000 0.755 324 A CB -0.947 17.953 19.000 -0.166 0.000 0.980 324 A HN 1.705 nan 8.150 nan 0.000 0.506 325 A N 2.289 125.039 122.820 -0.117 0.000 2.566 325 A HA 0.650 4.970 4.320 -0.001 0.000 0.297 325 A C -0.820 176.719 177.584 -0.074 0.000 1.059 325 A CA -0.454 51.536 52.037 -0.078 0.000 0.691 325 A CB 0.919 19.892 19.000 -0.044 0.000 1.282 325 A HN 0.769 nan 8.150 nan 0.000 0.401 326 I N 1.827 122.362 120.570 -0.058 0.000 2.404 326 I HA 0.569 4.739 4.170 -0.001 0.000 0.293 326 I C 0.831 176.915 176.117 -0.055 0.000 0.992 326 I CA -0.525 60.744 61.300 -0.052 0.000 1.149 326 I CB 2.131 40.123 38.000 -0.014 0.000 1.315 326 I HN 0.806 nan 8.210 nan 0.000 0.446 327 G N 2.978 111.728 108.800 -0.083 0.000 2.509 327 G HA2 0.595 4.554 3.960 -0.001 0.000 0.328 327 G HA3 0.595 4.554 3.960 -0.001 0.000 0.328 327 G C -0.242 174.614 174.900 -0.073 0.000 1.194 327 G CA -0.376 44.673 45.100 -0.084 0.000 0.967 327 G HN 0.574 nan 8.290 nan 0.000 0.488 328 T N -1.972 112.549 114.554 -0.055 0.000 2.849 328 T HA 0.677 5.027 4.350 -0.001 0.000 0.284 328 T C 0.375 175.050 174.700 -0.042 0.000 1.004 328 T CA 0.211 62.294 62.100 -0.029 0.000 1.021 328 T CB 1.316 70.174 68.868 -0.016 0.000 1.013 328 T HN 1.456 nan 8.240 nan 0.000 0.527 329 S N 0.322 116.018 115.700 -0.005 0.000 2.636 329 S HA 0.581 5.050 4.470 -0.001 0.000 0.268 329 S C -1.261 173.355 174.600 0.027 0.000 1.159 329 S CA -1.147 57.052 58.200 -0.002 0.000 0.815 329 S CB 0.907 64.109 63.200 0.003 0.000 1.130 329 S HN 0.874 nan 8.310 nan 0.000 0.471 330 L N 0.927 122.162 121.223 0.020 0.000 2.421 330 L HA 0.891 5.231 4.340 -0.001 0.000 0.263 330 L C 0.410 177.293 176.870 0.021 0.000 1.122 330 L CA 0.833 55.683 54.840 0.017 0.000 0.804 330 L CB 1.032 43.093 42.059 0.003 0.000 1.150 330 L HN 1.260 nan 8.230 nan 0.000 0.457 331 A N 2.131 124.955 122.820 0.006 0.000 2.493 331 A HA 0.922 5.241 4.320 -0.001 0.000 0.165 331 A C -0.183 177.394 177.584 -0.011 0.000 1.265 331 A CA 0.594 52.624 52.037 -0.012 0.000 2.312 331 A CB -0.255 18.738 19.000 -0.012 0.000 2.748 331 A HN 1.362 nan 8.150 nan 0.000 1.115 332 A N -2.646 120.167 122.820 -0.012 0.000 3.435 332 A HA 0.520 4.839 4.320 -0.001 0.000 0.109 332 A C 1.542 179.119 177.584 -0.013 0.000 1.331 332 A CA 1.348 53.379 52.037 -0.010 0.000 1.444 332 A CB -1.232 17.760 19.000 -0.013 0.000 1.232 332 A HN 2.143 nan 8.150 nan 0.000 0.553 333 G N -0.350 108.435 108.800 -0.024 0.000 3.229 333 G HA2 0.493 4.453 3.960 -0.001 0.000 0.165 333 G HA3 0.493 4.453 3.960 -0.001 0.000 0.165 333 G C 0.703 175.581 174.900 -0.036 0.000 1.753 333 G CA 1.219 46.303 45.100 -0.027 0.000 1.054 333 G HN 1.041 nan 8.290 nan 0.000 0.544 334 S N -3.108 112.557 115.700 -0.059 0.000 3.848 334 S HA 0.651 5.121 4.470 -0.001 0.000 0.266 334 S C -0.924 173.607 174.600 -0.114 0.000 1.050 334 S CA 0.365 58.521 58.200 -0.074 0.000 1.322 334 S CB 1.392 64.556 63.200 -0.059 0.000 1.264 334 S HN 0.865 nan 8.310 nan 0.000 0.751 335 T N 1.160 115.611 114.554 -0.172 0.000 4.058 335 T HA 0.399 4.749 4.350 -0.001 0.000 0.297 335 T C -1.311 173.262 174.700 -0.212 0.000 0.675 335 T CA -0.185 61.809 62.100 -0.176 0.000 0.974 335 T CB -0.129 68.669 68.868 -0.118 0.000 1.115 335 T HN 0.498 nan 8.240 nan 0.000 0.480 336 E N 2.275 122.383 120.200 -0.154 0.000 1.379 336 E HA -0.035 4.314 4.350 -0.001 0.000 0.192 336 E C -0.439 176.140 176.600 -0.035 0.000 0.755 336 E CA 1.037 57.360 56.400 -0.128 0.000 1.015 336 E CB -0.216 29.358 29.700 -0.210 0.000 4.096 336 E HN 0.795 nan 8.360 nan 0.000 0.558 337 D N -2.372 117.971 120.400 -0.094 0.000 1.548 337 D HA -0.086 4.554 4.640 -0.001 0.000 0.266 337 D C 0.931 176.971 176.300 -0.433 0.000 0.403 337 D CA 0.822 54.631 54.000 -0.319 0.000 1.083 337 D CB -1.547 38.857 40.800 -0.660 0.000 1.466 337 D HN 0.217 nan 8.370 nan 0.000 0.816 338 G N 0.975 109.612 108.800 -0.273 0.000 2.546 338 G HA2 0.568 4.527 3.960 -0.001 0.000 0.239 338 G HA3 0.568 4.527 3.960 -0.001 0.000 0.239 338 G C -2.508 172.376 174.900 -0.026 0.000 1.476 338 G CA -0.634 44.369 45.100 -0.162 0.000 1.064 338 G HN 0.154 nan 8.290 nan 0.000 0.561 339 P HA 0.294 nan 4.420 nan 0.000 0.276 339 P C 0.373 177.733 177.300 0.100 0.000 1.252 339 P CA 0.082 63.213 63.100 0.051 0.000 0.802 339 P CB 1.373 33.112 31.700 0.065 0.000 1.035 340 G N 1.330 110.190 108.800 0.101 0.000 3.022 340 G HA2 0.234 4.193 3.960 -0.001 0.000 0.157 340 G HA3 0.234 4.193 3.960 -0.001 0.000 0.157 340 G C -2.003 173.029 174.900 0.219 0.000 1.468 340 G CA -0.897 44.299 45.100 0.160 0.000 1.058 340 G HN 0.296 nan 8.290 nan 0.000 0.581 341 P HA 0.084 nan 4.420 nan 0.000 0.156 341 P C 0.048 177.439 177.300 0.153 0.000 1.187 341 P CA 0.326 63.545 63.100 0.197 0.000 1.008 341 P CB -0.898 30.885 31.700 0.139 0.000 1.610 342 L N -1.346 119.985 121.223 0.179 0.000 3.936 342 L HA -0.241 4.098 4.340 -0.001 0.000 0.453 342 L C 1.317 178.259 176.870 0.119 0.000 1.158 342 L CA 0.616 55.549 54.840 0.155 0.000 0.831 342 L CB -1.961 40.197 42.059 0.164 0.000 1.746 342 L HN 0.362 nan 8.230 nan 0.000 0.912 343 G N 0.243 109.108 108.800 0.108 0.000 3.471 343 G HA2 0.400 4.359 3.960 -0.001 0.000 0.254 343 G HA3 0.400 4.359 3.960 -0.001 0.000 0.254 343 G C 0.235 175.180 174.900 0.075 0.000 1.199 343 G CA -0.464 44.684 45.100 0.081 0.000 1.683 343 G HN 0.100 nan 8.290 nan 0.000 0.625 344 L N 0.812 122.083 121.223 0.080 0.000 2.315 344 L HA 0.229 4.568 4.340 -0.001 0.000 0.283 344 L C 0.692 177.594 176.870 0.052 0.000 1.089 344 L CA -0.381 54.501 54.840 0.070 0.000 0.833 344 L CB 0.999 43.102 42.059 0.073 0.000 1.170 344 L HN 0.245 nan 8.230 nan 0.000 0.442 345 E N 3.934 124.160 120.200 0.044 0.000 2.129 345 E HA 0.022 4.371 4.350 -0.001 0.000 0.283 345 E C 0.483 177.096 176.600 0.022 0.000 1.080 345 E CA -0.207 56.212 56.400 0.032 0.000 0.867 345 E CB 0.738 30.455 29.700 0.029 0.000 1.056 345 E HN 0.578 nan 8.360 nan 0.000 0.404 346 E N 3.130 123.338 120.200 0.014 0.000 2.476 346 E HA -0.219 4.130 4.350 -0.001 0.000 0.206 346 E C 1.221 177.815 176.600 -0.011 0.000 1.079 346 E CA 0.716 57.111 56.400 -0.007 0.000 0.891 346 E CB -0.205 29.492 29.700 -0.005 0.000 0.821 346 E HN 0.661 nan 8.360 nan 0.000 0.572 347 G N 2.110 110.912 108.800 0.003 0.000 2.395 347 G HA2 -0.276 3.683 3.960 -0.001 0.000 0.214 347 G HA3 -0.276 3.683 3.960 -0.001 0.000 0.214 347 G C 1.448 176.351 174.900 0.006 0.000 1.177 347 G CA 0.589 45.691 45.100 0.004 0.000 0.794 347 G HN 0.371 nan 8.290 nan 0.000 0.532 348 N N 0.089 118.798 118.700 0.015 0.000 2.268 348 N HA 0.021 4.761 4.740 -0.001 0.000 0.204 348 N C 0.061 175.584 175.510 0.022 0.000 1.124 348 N CA -0.212 52.852 53.050 0.023 0.000 0.838 348 N CB 0.019 38.527 38.487 0.035 0.000 0.994 348 N HN 0.040 nan 8.380 nan 0.000 0.489 349 N N 0.580 119.281 118.700 0.001 0.000 2.707 349 N HA 0.272 5.011 4.740 -0.001 0.000 0.235 349 N C -2.160 173.294 175.510 -0.093 0.000 1.028 349 N CA -1.925 51.118 53.050 -0.011 0.000 0.906 349 N CB 1.516 40.001 38.487 -0.003 0.000 1.131 349 N HN 0.085 nan 8.380 nan 0.000 0.509 350 P HA -0.067 nan 4.420 nan 0.000 0.218 350 P C 1.207 178.027 177.300 -0.800 0.000 1.149 350 P CA 0.600 63.481 63.100 -0.364 0.000 0.817 350 P CB 0.103 31.681 31.700 -0.203 0.000 0.785 351 F N 0.028 119.514 119.950 -0.773 0.000 2.146 351 F HA -0.095 4.431 4.527 -0.001 0.000 0.298 351 F C 2.005 177.561 175.800 -0.406 0.000 1.096 351 F CA 1.070 58.672 58.000 -0.663 0.000 1.275 351 F CB -1.092 37.799 39.000 -0.181 0.000 1.008 351 F HN -0.238 nan 8.300 nan 0.000 0.480 352 L N -0.115 120.885 121.223 -0.371 0.000 2.017 352 L HA -0.241 4.099 4.340 -0.001 0.000 0.208 352 L C 2.611 179.319 176.870 -0.270 0.000 1.073 352 L CA 1.921 56.523 54.840 -0.397 0.000 0.745 352 L CB -0.642 41.303 42.059 -0.190 0.000 0.894 352 L HN 0.354 nan 8.230 nan 0.000 0.432 353 S N -0.466 115.106 115.700 -0.213 0.000 2.402 353 S HA -0.084 4.386 4.470 -0.001 0.000 0.229 353 S C 2.010 176.528 174.600 -0.137 0.000 1.021 353 S CA 0.713 58.832 58.200 -0.135 0.000 0.974 353 S CB -0.434 62.702 63.200 -0.107 0.000 0.800 353 S HN 0.457 nan 8.310 nan 0.000 0.484 354 A N 1.649 124.327 122.820 -0.236 0.000 2.015 354 A HA 0.257 4.577 4.320 -0.001 0.000 0.219 354 A C 2.164 179.710 177.584 -0.063 0.000 1.163 354 A CA 0.865 52.829 52.037 -0.122 0.000 0.646 354 A CB -0.661 18.259 19.000 -0.133 0.000 0.806 354 A HN 0.533 nan 8.150 nan 0.000 0.448 355 L N -1.851 119.275 121.223 -0.163 0.000 2.313 355 L HA 0.142 4.482 4.340 -0.001 0.000 0.214 355 L C 1.719 178.661 176.870 0.120 0.000 1.119 355 L CA 0.813 55.620 54.840 -0.054 0.000 0.809 355 L CB -0.076 41.805 42.059 -0.296 0.000 0.933 355 L HN 0.584 nan 8.230 nan 0.000 0.449 356 G N -0.845 107.990 108.800 0.059 0.000 2.159 356 G HA2 0.064 4.023 3.960 -0.001 0.000 0.170 356 G HA3 0.064 4.023 3.960 -0.001 0.000 0.170 356 G C 0.507 175.454 174.900 0.079 0.000 1.007 356 G CA -0.257 44.883 45.100 0.067 0.000 0.672 356 G HN 0.767 nan 8.290 nan 0.000 0.507 357 G N -1.732 107.132 108.800 0.106 0.000 2.707 357 G HA2 0.133 4.092 3.960 -0.001 0.000 0.686 357 G HA3 0.133 4.092 3.960 -0.001 0.000 0.686 357 G C 0.523 175.560 174.900 0.229 0.000 1.315 357 G CA -0.033 45.133 45.100 0.110 0.000 0.832 357 G HN 1.219 nan 8.290 nan 0.000 0.573 358 L N -0.287 121.038 121.223 0.170 0.000 2.023 358 L HA 0.314 4.653 4.340 -0.001 0.000 0.205 358 L C 1.318 178.158 176.870 -0.049 0.000 1.073 358 L CA 1.736 56.674 54.840 0.163 0.000 0.745 358 L CB -0.442 41.690 42.059 0.123 0.000 0.900 358 L HN 0.542 nan 8.230 nan 0.000 0.435 359 L N -1.222 119.976 121.223 -0.040 0.000 2.325 359 L HA 0.468 4.807 4.340 -0.001 0.000 0.278 359 L C -0.320 176.502 176.870 -0.081 0.000 1.023 359 L CA -0.051 54.737 54.840 -0.085 0.000 0.811 359 L CB 1.528 43.556 42.059 -0.052 0.000 1.249 359 L HN 0.003 nan 8.230 nan 0.000 0.431 360 T N -0.257 114.232 114.554 -0.108 0.000 3.160 360 T HA 0.686 5.035 4.350 -0.001 0.000 0.344 360 T C 0.030 174.682 174.700 -0.079 0.000 0.981 360 T CA -0.365 61.683 62.100 -0.086 0.000 1.170 360 T CB 0.753 69.558 68.868 -0.104 0.000 1.016 360 T HN 1.181 nan 8.240 nan 0.000 0.492 361 G N 1.786 110.553 108.800 -0.056 0.000 2.741 361 G HA2 0.064 4.024 3.960 -0.001 0.000 0.222 361 G HA3 0.064 4.024 3.960 -0.001 0.000 0.222 361 G C -0.396 174.473 174.900 -0.052 0.000 1.364 361 G CA -0.409 44.661 45.100 -0.049 0.000 0.866 361 G HN 1.933 nan 8.290 nan 0.000 0.555 362 V N -1.977 117.911 119.914 -0.044 0.000 2.532 362 V HA 0.752 4.871 4.120 -0.001 0.000 0.295 362 V C -1.813 174.254 176.094 -0.045 0.000 1.041 362 V CA -1.900 60.375 62.300 -0.041 0.000 0.926 362 V CB 1.359 33.164 31.823 -0.029 0.000 0.992 362 V HN 0.747 nan 8.190 nan 0.000 0.457 363 P HA 0.384 nan 4.420 nan 0.000 0.271 363 P C -2.634 174.649 177.300 -0.029 0.000 1.216 363 P CA -1.038 62.036 63.100 -0.044 0.000 0.771 363 P CB -0.178 31.497 31.700 -0.042 0.000 0.864 364 P HA -0.088 nan 4.420 nan 0.000 0.265 364 P C 0.934 178.229 177.300 -0.008 0.000 1.187 364 P CA 0.024 63.115 63.100 -0.015 0.000 0.766 364 P CB 0.466 32.158 31.700 -0.012 0.000 0.820 365 Q N 2.740 122.537 119.800 -0.006 0.000 2.234 365 Q HA -0.243 4.096 4.340 -0.001 0.000 0.206 365 Q C 0.845 176.849 176.000 0.006 0.000 0.980 365 Q CA 2.052 57.855 55.803 -0.001 0.000 0.869 365 Q CB -0.090 28.648 28.738 -0.001 0.000 0.912 365 Q HN 0.457 nan 8.270 nan 0.000 0.436 366 E N 0.921 121.124 120.200 0.006 0.000 2.106 366 E HA -0.076 4.274 4.350 -0.001 0.000 0.192 366 E C 1.994 178.605 176.600 0.019 0.000 0.984 366 E CA 0.840 57.248 56.400 0.013 0.000 0.806 366 E CB -0.348 29.359 29.700 0.011 0.000 0.750 366 E HN 0.261 nan 8.360 nan 0.000 0.458 367 L N 0.549 121.780 121.223 0.014 0.000 2.056 367 L HA -0.135 4.205 4.340 -0.001 0.000 0.207 367 L C 2.024 178.906 176.870 0.021 0.000 1.078 367 L CA 1.129 55.980 54.840 0.018 0.000 0.749 367 L CB -0.180 41.882 42.059 0.004 0.000 0.901 367 L HN 0.107 nan 8.230 nan 0.000 0.433 368 V N 0.925 120.846 119.914 0.012 0.000 2.287 368 V HA -0.339 3.780 4.120 -0.001 0.000 0.248 368 V C 2.660 178.770 176.094 0.026 0.000 1.053 368 V CA 2.335 64.643 62.300 0.013 0.000 1.027 368 V CB -0.849 30.977 31.823 0.005 0.000 0.646 368 V HN 0.648 nan 8.190 nan 0.000 0.447 369 Q N -1.106 118.711 119.800 0.028 0.000 2.245 369 Q HA -0.166 4.173 4.340 -0.001 0.000 0.201 369 Q C 2.393 178.425 176.000 0.053 0.000 0.955 369 Q CA 1.684 57.510 55.803 0.038 0.000 0.870 369 Q CB -0.972 27.787 28.738 0.034 0.000 0.945 369 Q HN 0.620 nan 8.270 nan 0.000 0.461 370 C N 1.634 120.966 119.300 0.053 0.000 2.425 370 C HA -0.082 4.377 4.460 -0.001 0.000 0.277 370 C C 2.486 177.515 174.990 0.065 0.000 1.280 370 C CA 0.812 59.871 59.018 0.068 0.000 1.744 370 C CB -0.618 27.160 27.740 0.063 0.000 1.989 370 C HN 0.457 nan 8.230 nan 0.000 0.491 371 Q N 0.368 120.210 119.800 0.069 0.000 2.515 371 Q HA 0.160 4.499 4.340 -0.001 0.000 0.212 371 Q C 1.506 177.606 176.000 0.167 0.000 0.970 371 Q CA 0.896 56.766 55.803 0.112 0.000 0.941 371 Q CB -0.442 28.354 28.738 0.096 0.000 0.998 371 Q HN 0.804 nan 8.270 nan 0.000 0.518 372 A N 1.895 124.777 122.820 0.104 0.000 5.391 372 A HA -0.336 3.984 4.320 -0.001 0.000 0.315 372 A C 1.293 178.928 177.584 0.086 0.000 1.874 372 A CA 1.821 53.919 52.037 0.102 0.000 0.714 372 A CB -1.510 17.554 19.000 0.107 0.000 1.335 372 A HN 0.511 nan 8.150 nan 0.000 0.382 373 E N 1.303 121.555 120.200 0.087 0.000 2.472 373 E HA -0.072 4.278 4.350 -0.001 0.000 0.200 373 E C 0.816 177.367 176.600 -0.081 0.000 1.046 373 E CA 1.213 57.608 56.400 -0.008 0.000 0.871 373 E CB -0.428 29.250 29.700 -0.036 0.000 0.806 373 E HN 0.676 nan 8.360 nan 0.000 0.533 374 K N 2.199 122.548 120.400 -0.086 0.000 2.350 374 K HA 0.056 4.376 4.320 -0.001 0.000 0.279 374 K C -0.409 176.150 176.600 -0.068 0.000 1.027 374 K CA 0.157 56.360 56.287 -0.139 0.000 0.969 374 K CB 0.526 32.959 32.500 -0.112 0.000 0.954 374 K HN -0.007 nan 8.250 nan 0.000 0.474 375 T N 3.047 117.554 114.554 -0.077 0.000 3.029 375 T HA 0.329 4.678 4.350 -0.001 0.000 0.346 375 T C 0.531 175.202 174.700 -0.048 0.000 1.211 375 T CA -0.777 61.294 62.100 -0.049 0.000 1.009 375 T CB -0.360 68.481 68.868 -0.044 0.000 1.084 375 T HN 0.448 nan 8.240 nan 0.000 0.536 376 I N 3.988 124.534 120.570 -0.039 0.000 2.821 376 I HA -0.046 4.124 4.170 -0.001 0.000 0.294 376 I C 1.203 177.298 176.117 -0.038 0.000 1.210 376 I CA -0.158 61.118 61.300 -0.040 0.000 1.430 376 I CB 0.636 38.614 38.000 -0.036 0.000 1.356 376 I HN 0.543 nan 8.210 nan 0.000 0.563 377 L N 7.371 128.572 121.223 -0.036 0.000 2.362 377 L HA 0.458 4.798 4.340 -0.001 0.000 0.204 377 L C 0.734 177.583 176.870 -0.035 0.000 1.060 377 L CA 0.943 55.768 54.840 -0.025 0.000 0.827 377 L CB 0.175 42.229 42.059 -0.007 0.000 1.027 377 L HN 0.664 nan 8.230 nan 0.000 0.474 378 A N -0.234 122.559 122.820 -0.045 0.000 2.375 378 A HA 0.460 4.780 4.320 -0.001 0.000 0.295 378 A C -1.459 176.053 177.584 -0.120 0.000 1.066 378 A CA -0.482 51.505 52.037 -0.085 0.000 0.722 378 A CB 0.582 19.560 19.000 -0.037 0.000 1.206 378 A HN 0.129 nan 8.150 nan 0.000 0.435 379 D N 3.349 123.645 120.400 -0.173 0.000 2.494 379 D HA 0.159 4.798 4.640 -0.001 0.000 0.217 379 D C 1.476 177.621 176.300 -0.259 0.000 1.153 379 D CA 0.575 54.474 54.000 -0.168 0.000 0.954 379 D CB 0.585 41.297 40.800 -0.147 0.000 1.034 379 D HN 0.532 nan 8.370 nan 0.000 0.518 380 T N -0.507 113.922 114.554 -0.208 0.000 2.985 380 T HA 0.010 4.360 4.350 -0.001 0.000 0.266 380 T C 1.913 176.530 174.700 -0.139 0.000 1.076 380 T CA 0.716 62.683 62.100 -0.222 0.000 1.135 380 T CB -0.044 68.794 68.868 -0.049 0.000 0.890 380 T HN 0.248 nan 8.240 nan 0.000 0.480 381 G N 1.370 110.121 108.800 -0.082 0.000 2.448 381 G HA2 -0.079 3.880 3.960 -0.001 0.000 0.218 381 G HA3 -0.079 3.880 3.960 -0.001 0.000 0.218 381 G C 1.399 176.284 174.900 -0.024 0.000 1.135 381 G CA 0.334 45.428 45.100 -0.010 0.000 0.784 381 G HN 0.638 nan 8.290 nan 0.000 0.543 382 N N -0.311 118.338 118.700 -0.086 0.000 2.280 382 N HA 0.104 4.844 4.740 -0.001 0.000 0.192 382 N C 0.308 175.740 175.510 -0.130 0.000 1.109 382 N CA -0.314 52.686 53.050 -0.084 0.000 0.855 382 N CB 0.430 38.867 38.487 -0.083 0.000 0.974 382 N HN -0.021 nan 8.380 nan 0.000 0.482 383 K N 1.564 121.832 120.400 -0.220 0.000 2.440 383 K HA 0.091 4.410 4.320 -0.001 0.000 0.270 383 K C 0.147 176.695 176.600 -0.086 0.000 0.980 383 K CA 0.622 56.734 56.287 -0.291 0.000 0.953 383 K CB 0.538 32.633 32.500 -0.676 0.000 0.925 383 K HN -0.045 nan 8.250 nan 0.000 0.497 384 K N 1.687 122.058 120.400 -0.048 0.000 2.385 384 K HA 0.309 4.629 4.320 -0.001 0.000 0.248 384 K C -1.740 174.891 176.600 0.051 0.000 0.955 384 K CA -1.800 54.480 56.287 -0.012 0.000 0.816 384 K CB 1.068 33.541 32.500 -0.045 0.000 1.250 384 K HN 0.180 nan 8.250 nan 0.000 0.434 385 P HA 0.032 nan 4.420 nan 0.000 0.225 385 P C -0.604 176.547 177.300 -0.249 0.000 1.156 385 P CA 0.928 63.937 63.100 -0.152 0.000 0.787 385 P CB 0.205 31.771 31.700 -0.223 0.000 0.802 386 Y N -0.393 119.966 120.300 0.098 0.000 2.446 386 Y HA 0.371 4.920 4.550 -0.001 0.000 0.345 386 Y C -2.243 173.781 175.900 0.207 0.000 0.984 386 Y CA -3.243 54.935 58.100 0.129 0.000 1.058 386 Y CB 1.274 39.796 38.460 0.102 0.000 1.220 386 Y HN -0.199 nan 8.280 nan 0.000 0.455 387 P HA -0.075 nan 4.420 nan 0.000 0.269 387 P C 0.037 177.632 177.300 0.491 0.000 1.209 387 P CA 0.023 63.296 63.100 0.289 0.000 0.776 387 P CB 0.924 32.757 31.700 0.223 0.000 0.876 388 W N 1.179 122.541 121.300 0.102 0.000 2.800 388 W HA 0.019 4.678 4.660 -0.001 0.000 0.249 388 W C 1.028 177.549 176.519 0.002 0.000 1.294 388 W CA 0.430 57.812 57.345 0.062 0.000 1.402 388 W CB -1.173 28.259 29.460 -0.047 0.000 1.126 388 W HN 0.301 nan 8.180 nan 0.000 0.652 389 T N -2.411 112.225 114.554 0.137 0.000 2.916 389 T HA 0.496 4.846 4.350 -0.001 0.000 0.292 389 T C -2.592 171.794 174.700 -0.523 0.000 1.055 389 T CA -2.455 59.532 62.100 -0.188 0.000 1.009 389 T CB 2.692 71.495 68.868 -0.109 0.000 1.118 389 T HN -0.381 nan 8.240 nan 0.000 0.497 390 P HA 0.164 nan 4.420 nan 0.000 0.270 390 P C 0.482 177.672 177.300 -0.183 0.000 1.223 390 P CA -0.092 62.515 63.100 -0.822 0.000 0.785 390 P CB 0.812 32.230 31.700 -0.469 0.000 0.923 391 T N -2.584 111.919 114.554 -0.086 0.000 2.980 391 T HA 0.151 4.500 4.350 -0.001 0.000 0.252 391 T C 0.479 175.143 174.700 -0.060 0.000 0.962 391 T CA 0.041 62.140 62.100 -0.002 0.000 0.932 391 T CB -0.133 68.786 68.868 0.084 0.000 1.188 391 T HN 0.144 nan 8.240 nan 0.000 0.500 392 V N 3.016 122.910 119.914 -0.034 0.000 2.347 392 V HA 0.593 4.712 4.120 -0.001 0.000 0.280 392 V C -0.607 175.478 176.094 -0.015 0.000 1.021 392 V CA -0.801 61.494 62.300 -0.009 0.000 0.847 392 V CB 1.202 33.019 31.823 -0.011 0.000 0.990 392 V HN 0.399 nan 8.190 nan 0.000 0.444 393 L N 7.245 128.425 121.223 -0.072 0.000 2.341 393 L HA 0.655 4.995 4.340 -0.001 0.000 0.267 393 L C -2.496 174.413 176.870 0.065 0.000 1.009 393 L CA -1.958 52.835 54.840 -0.078 0.000 0.819 393 L CB 3.157 44.891 42.059 -0.542 0.000 1.323 393 L HN 0.388 nan 8.230 nan 0.000 0.425 394 P HA 0.319 nan 4.420 nan 0.000 0.290 394 P C -1.292 175.796 177.300 -0.352 0.000 1.276 394 P CA -0.288 62.589 63.100 -0.371 0.000 0.808 394 P CB 1.790 33.305 31.700 -0.308 0.000 0.966 395 I N 3.146 123.375 120.570 -0.567 0.000 2.436 395 I HA 0.429 4.598 4.170 -0.001 0.000 0.289 395 I C 0.139 176.004 176.117 -0.420 0.000 1.010 395 I CA -0.432 60.581 61.300 -0.478 0.000 1.098 395 I CB 1.698 39.351 38.000 -0.578 0.000 1.266 395 I HN 0.473 nan 8.210 nan 0.000 0.434 396 Q N 6.497 126.221 119.800 -0.127 0.000 2.345 396 Q HA 0.700 5.039 4.340 -0.001 0.000 0.275 396 Q C -1.912 174.167 176.000 0.131 0.000 1.063 396 Q CA -0.677 55.145 55.803 0.031 0.000 0.819 396 Q CB 3.191 31.990 28.738 0.103 0.000 1.356 396 Q HN 0.635 nan 8.270 nan 0.000 0.418 397 M N 2.864 122.566 119.600 0.171 0.000 2.386 397 M HA 0.499 4.978 4.480 -0.001 0.000 0.293 397 M C -1.616 174.909 176.300 0.376 0.000 1.120 397 M CA -0.582 54.828 55.300 0.183 0.000 0.909 397 M CB 1.802 34.516 32.600 0.190 0.000 1.661 397 M HN 0.481 nan 8.290 nan 0.000 0.452 398 F N 2.062 122.045 119.950 0.054 0.000 2.444 398 F HA 0.543 5.070 4.527 -0.001 0.000 0.342 398 F C 0.084 175.890 175.800 0.010 0.000 1.121 398 F CA -1.045 56.986 58.000 0.051 0.000 0.997 398 F CB 1.522 40.559 39.000 0.063 0.000 1.130 398 F HN 0.466 nan 8.300 nan 0.000 0.454 399 R N 4.897 125.494 120.500 0.162 0.000 2.255 399 R HA 0.657 4.997 4.340 -0.001 0.000 0.326 399 R C -1.345 174.976 176.300 0.036 0.000 0.986 399 R CA -0.249 55.894 56.100 0.072 0.000 0.847 399 R CB 0.549 30.878 30.300 0.049 0.000 1.111 399 R HN 0.698 nan 8.270 nan 0.000 0.452 400 I N 6.174 126.751 120.570 0.011 0.000 2.537 400 I HA 0.271 4.441 4.170 -0.001 0.000 0.276 400 I C 0.833 176.934 176.117 -0.028 0.000 1.063 400 I CA -0.282 60.999 61.300 -0.030 0.000 1.144 400 I CB 1.354 39.315 38.000 -0.066 0.000 1.252 400 I HN 1.090 nan 8.210 nan 0.000 0.480 401 G N 5.273 114.100 108.800 0.045 0.000 2.561 401 G HA2 -0.310 3.649 3.960 -0.001 0.000 0.289 401 G HA3 -0.310 3.649 3.960 -0.001 0.000 0.289 401 G C 0.709 175.610 174.900 0.002 0.000 1.169 401 G CA 0.538 45.678 45.100 0.066 0.000 0.980 401 G HN 0.688 nan 8.290 nan 0.000 0.550 402 Q N 0.533 120.316 119.800 -0.028 0.000 2.322 402 Q HA 0.388 4.727 4.340 -0.001 0.000 0.203 402 Q C 0.306 176.236 176.000 -0.115 0.000 0.923 402 Q CA 0.407 56.166 55.803 -0.073 0.000 0.949 402 Q CB 0.331 29.016 28.738 -0.089 0.000 1.039 402 Q HN 0.415 nan 8.270 nan 0.000 0.496 403 L N 1.504 122.667 121.223 -0.100 0.000 2.317 403 L HA 0.429 4.768 4.340 -0.001 0.000 0.281 403 L C -0.290 176.525 176.870 -0.092 0.000 1.024 403 L CA -0.409 54.352 54.840 -0.133 0.000 0.810 403 L CB 1.875 43.844 42.059 -0.149 0.000 1.240 403 L HN 0.064 nan 8.230 nan 0.000 0.427 404 E N 2.671 122.805 120.200 -0.110 0.000 2.199 404 E HA 0.430 4.780 4.350 -0.001 0.000 0.265 404 E C -1.481 175.032 176.600 -0.144 0.000 0.882 404 E CA -0.891 55.466 56.400 -0.072 0.000 0.759 404 E CB 2.613 32.283 29.700 -0.050 0.000 1.148 404 E HN 0.258 nan 8.360 nan 0.000 0.412 405 L N 4.673 125.830 121.223 -0.110 0.000 2.287 405 L HA 0.377 4.717 4.340 -0.001 0.000 0.287 405 L C -1.716 175.024 176.870 -0.217 0.000 1.022 405 L CA -0.607 54.092 54.840 -0.235 0.000 0.814 405 L CB 0.742 42.691 42.059 -0.184 0.000 1.217 405 L HN 0.388 nan 8.230 nan 0.000 0.420 406 L N 4.979 125.990 121.223 -0.353 0.000 2.295 406 L HA 0.685 5.024 4.340 -0.001 0.000 0.285 406 L C 0.706 177.283 176.870 -0.487 0.000 1.035 406 L CA -0.046 54.535 54.840 -0.432 0.000 0.806 406 L CB 1.541 43.109 42.059 -0.818 0.000 1.214 406 L HN 0.751 nan 8.230 nan 0.000 0.426 407 G N 2.346 110.999 108.800 -0.245 0.000 2.468 407 G HA2 0.641 4.601 3.960 -0.001 0.000 0.320 407 G HA3 0.641 4.601 3.960 -0.001 0.000 0.320 407 G C -0.753 174.088 174.900 -0.098 0.000 1.137 407 G CA -0.300 44.680 45.100 -0.200 0.000 0.984 407 G HN 0.764 nan 8.290 nan 0.000 0.462 408 A N 4.514 127.141 122.820 -0.320 0.000 2.287 408 A HA 0.747 5.067 4.320 -0.001 0.000 0.317 408 A C -2.189 175.375 177.584 -0.033 0.000 1.220 408 A CA -1.728 50.221 52.037 -0.147 0.000 0.835 408 A CB 1.812 20.358 19.000 -0.756 0.000 1.180 408 A HN 0.361 nan 8.150 nan 0.000 0.500 409 P HA 0.258 nan 4.420 nan 0.000 0.286 409 P C -0.001 177.267 177.300 -0.052 0.000 1.577 409 P CA 1.236 64.360 63.100 0.040 0.000 0.805 409 P CB -0.050 31.689 31.700 0.065 0.000 1.706 410 A N -0.840 121.920 122.820 -0.099 0.000 2.467 410 A HA 0.427 4.746 4.320 -0.001 0.000 0.301 410 A C -1.365 175.896 177.584 -0.537 0.000 1.126 410 A CA -0.758 51.034 52.037 -0.409 0.000 0.632 410 A CB 0.842 19.562 19.000 -0.468 0.000 1.331 410 A HN -0.022 nan 8.150 nan 0.000 0.482 411 E N 0.262 120.009 120.200 -0.755 0.000 2.146 411 E HA 0.518 4.867 4.350 -0.001 0.000 0.282 411 E C -1.724 174.651 176.600 -0.376 0.000 0.989 411 E CA -0.000 55.967 56.400 -0.722 0.000 0.799 411 E CB 1.006 30.171 29.700 -0.892 0.000 1.088 411 E HN 0.344 nan 8.360 nan 0.000 0.397 412 F N 1.452 121.285 119.950 -0.197 0.000 2.436 412 F HA 0.166 4.692 4.527 -0.001 0.000 0.340 412 F C 1.164 176.956 175.800 -0.013 0.000 1.113 412 F CA -0.874 57.075 58.000 -0.086 0.000 1.022 412 F CB 1.474 40.383 39.000 -0.152 0.000 1.128 412 F HN 0.261 nan 8.300 nan 0.000 0.466 413 T N -0.669 113.976 114.554 0.151 0.000 2.802 413 T HA 0.184 4.534 4.350 -0.001 0.000 0.305 413 T C 1.355 176.088 174.700 0.055 0.000 1.053 413 T CA -0.784 61.399 62.100 0.138 0.000 1.058 413 T CB 0.781 69.726 68.868 0.128 0.000 0.988 413 T HN 0.337 nan 8.240 nan 0.000 0.539 414 V N 1.154 121.081 119.914 0.021 0.000 2.220 414 V HA -0.233 3.886 4.120 -0.001 0.000 0.250 414 V C 2.798 178.790 176.094 -0.170 0.000 1.056 414 V CA 2.122 64.364 62.300 -0.096 0.000 1.016 414 V CB -0.848 30.902 31.823 -0.122 0.000 0.639 414 V HN 0.807 nan 8.190 nan 0.000 0.446 415 M N -0.488 119.074 119.600 -0.064 0.000 2.229 415 M HA -0.047 4.432 4.480 -0.001 0.000 0.264 415 M C 2.322 178.574 176.300 -0.080 0.000 1.063 415 M CA 1.877 57.117 55.300 -0.101 0.000 1.114 415 M CB -1.706 30.872 32.600 -0.037 0.000 1.387 415 M HN 0.434 nan 8.290 nan 0.000 0.420 416 A N 0.116 122.923 122.820 -0.021 0.000 1.933 416 A HA 0.001 4.320 4.320 -0.001 0.000 0.218 416 A C 2.443 179.971 177.584 -0.094 0.000 1.175 416 A CA 1.972 54.032 52.037 0.037 0.000 0.628 416 A CB -1.297 17.777 19.000 0.124 0.000 0.814 416 A HN 0.500 nan 8.150 nan 0.000 0.444 417 G N -0.856 107.757 108.800 -0.312 0.000 2.396 417 G HA2 0.019 3.978 3.960 -0.001 0.000 0.214 417 G HA3 0.019 3.978 3.960 -0.001 0.000 0.214 417 G C 1.488 176.024 174.900 -0.605 0.000 1.166 417 G CA 0.981 45.542 45.100 -0.899 0.000 0.793 417 G HN 0.275 nan 8.290 nan 0.000 0.533 418 V N 0.988 120.679 119.914 -0.372 0.000 2.287 418 V HA -0.245 3.874 4.120 -0.001 0.000 0.248 418 V C 2.942 178.944 176.094 -0.154 0.000 1.053 418 V CA 2.218 64.364 62.300 -0.256 0.000 1.027 418 V CB -0.533 31.101 31.823 -0.315 0.000 0.646 418 V HN 0.312 nan 8.190 nan 0.000 0.447 419 R N -0.491 119.940 120.500 -0.114 0.000 2.091 419 R HA -0.140 4.200 4.340 -0.001 0.000 0.238 419 R C 2.251 178.543 176.300 -0.013 0.000 1.136 419 R CA 1.841 57.926 56.100 -0.026 0.000 0.959 419 R CB -0.466 29.850 30.300 0.026 0.000 0.856 419 R HN 0.456 nan 8.270 nan 0.000 0.437 420 I N 0.293 120.817 120.570 -0.077 0.000 2.226 420 I HA -0.277 3.893 4.170 -0.001 0.000 0.245 420 I C 2.558 178.637 176.117 -0.064 0.000 1.100 420 I CA 1.276 62.551 61.300 -0.042 0.000 1.374 420 I CB -0.234 37.679 38.000 -0.145 0.000 1.057 420 I HN 0.158 nan 8.210 nan 0.000 0.413 421 R N 0.512 120.925 120.500 -0.145 0.000 2.083 421 R HA -0.150 4.190 4.340 -0.001 0.000 0.237 421 R C 2.482 178.766 176.300 -0.027 0.000 1.137 421 R CA 1.443 57.492 56.100 -0.084 0.000 0.951 421 R CB -0.335 29.906 30.300 -0.098 0.000 0.851 421 R HN 0.372 nan 8.270 nan 0.000 0.434 422 R N 0.140 120.633 120.500 -0.013 0.000 2.081 422 R HA -0.087 4.253 4.340 -0.001 0.000 0.235 422 R C 2.351 178.667 176.300 0.027 0.000 1.131 422 R CA 1.381 57.490 56.100 0.014 0.000 0.960 422 R CB -0.397 29.919 30.300 0.026 0.000 0.856 422 R HN 0.216 nan 8.270 nan 0.000 0.436 423 A N 0.719 123.568 122.820 0.048 0.000 1.902 423 A HA -0.110 4.210 4.320 -0.001 0.000 0.217 423 A C 2.369 180.002 177.584 0.083 0.000 1.181 423 A CA 1.393 53.482 52.037 0.086 0.000 0.623 423 A CB -0.473 18.623 19.000 0.160 0.000 0.818 423 A HN 0.119 nan 8.150 nan 0.000 0.443 424 V N -0.175 119.780 119.914 0.068 0.000 2.379 424 V HA -0.234 3.886 4.120 -0.001 0.000 0.245 424 V C 2.713 178.822 176.094 0.025 0.000 1.044 424 V CA 2.223 64.559 62.300 0.059 0.000 1.036 424 V CB -0.663 31.183 31.823 0.037 0.000 0.664 424 V HN 0.724 nan 8.190 nan 0.000 0.453 425 Q N 0.984 120.786 119.800 0.004 0.000 2.124 425 Q HA -0.143 4.197 4.340 -0.001 0.000 0.202 425 Q C 2.049 178.044 176.000 -0.009 0.000 0.977 425 Q CA 2.212 58.005 55.803 -0.016 0.000 0.850 425 Q CB -0.541 28.184 28.738 -0.022 0.000 0.901 425 Q HN 0.583 nan 8.270 nan 0.000 0.429 426 A N -0.017 122.808 122.820 0.008 0.000 1.930 426 A HA 0.069 4.389 4.320 -0.001 0.000 0.217 426 A C 2.220 179.811 177.584 0.012 0.000 1.175 426 A CA 1.594 53.635 52.037 0.008 0.000 0.627 426 A CB -0.910 18.099 19.000 0.015 0.000 0.815 426 A HN 0.513 nan 8.150 nan 0.000 0.443 427 A N -1.016 121.821 122.820 0.028 0.000 2.067 427 A HA 0.122 4.442 4.320 -0.001 0.000 0.217 427 A C 2.112 179.708 177.584 0.021 0.000 1.156 427 A CA 1.556 53.613 52.037 0.033 0.000 0.683 427 A CB -0.297 18.739 19.000 0.061 0.000 0.808 427 A HN 0.398 nan 8.150 nan 0.000 0.455 428 S N -0.669 115.037 115.700 0.010 0.000 2.535 428 S HA 0.054 4.523 4.470 -0.001 0.000 0.214 428 S C 1.408 175.996 174.600 -0.020 0.000 0.980 428 S CA 0.179 58.377 58.200 -0.002 0.000 0.907 428 S CB 0.103 63.298 63.200 -0.007 0.000 0.790 428 S HN 0.648 nan 8.310 nan 0.000 0.510 429 E N 2.169 122.355 120.200 -0.024 0.000 2.065 429 E HA -0.233 4.116 4.350 -0.001 0.000 0.201 429 E C 2.229 178.811 176.600 -0.030 0.000 1.016 429 E CA 1.417 57.795 56.400 -0.035 0.000 0.818 429 E CB -0.221 29.461 29.700 -0.029 0.000 0.749 429 E HN 0.548 nan 8.360 nan 0.000 0.453 430 A N 0.740 123.549 122.820 -0.018 0.000 2.019 430 A HA -0.081 4.238 4.320 -0.001 0.000 0.219 430 A C 2.210 179.786 177.584 -0.014 0.000 1.164 430 A CA 1.534 53.562 52.037 -0.015 0.000 0.644 430 A CB -0.380 18.615 19.000 -0.008 0.000 0.805 430 A HN 0.318 nan 8.150 nan 0.000 0.449 431 A N -1.950 120.862 122.820 -0.014 0.000 2.167 431 A HA 0.389 4.709 4.320 -0.001 0.000 0.214 431 A C 1.790 179.362 177.584 -0.020 0.000 1.151 431 A CA 1.357 53.387 52.037 -0.011 0.000 0.735 431 A CB -0.680 18.317 19.000 -0.004 0.000 0.802 431 A HN 1.842 nan 8.150 nan 0.000 0.467 432 G N -1.392 107.388 108.800 -0.033 0.000 2.148 432 G HA2 -0.135 3.824 3.960 -0.001 0.000 0.203 432 G HA3 -0.135 3.824 3.960 -0.001 0.000 0.203 432 G C -0.119 174.740 174.900 -0.069 0.000 0.993 432 G CA -0.052 45.020 45.100 -0.045 0.000 0.661 432 G HN 0.248 nan 8.290 nan 0.000 0.518 433 I N 0.799 121.325 120.570 -0.074 0.000 2.416 433 I HA 0.415 4.585 4.170 -0.001 0.000 0.288 433 I C 1.231 177.245 176.117 -0.171 0.000 1.051 433 I CA -0.229 61.008 61.300 -0.106 0.000 1.375 433 I CB 1.294 39.248 38.000 -0.076 0.000 1.407 433 I HN 0.027 nan 8.210 nan 0.000 0.516 434 R N 4.250 124.579 120.500 -0.286 0.000 2.419 434 R HA 0.203 4.542 4.340 -0.001 0.000 0.235 434 R C -0.354 175.454 176.300 -0.820 0.000 0.899 434 R CA 0.139 55.934 56.100 -0.509 0.000 1.048 434 R CB 0.458 30.404 30.300 -0.590 0.000 1.182 434 R HN 0.567 nan 8.270 nan 0.000 0.544 435 H N -0.392 118.530 119.070 -0.246 0.000 2.877 435 H HA 0.312 4.868 4.556 -0.001 0.000 0.347 435 H C -0.971 174.218 175.328 -0.232 0.000 1.042 435 H CA -0.592 55.281 56.048 -0.291 0.000 1.276 435 H CB 2.478 31.845 29.762 -0.659 0.000 1.681 435 H HN -0.296 nan 8.280 nan 0.000 0.521 436 V N 4.143 124.028 119.914 -0.048 0.000 2.328 436 V HA 0.162 4.282 4.120 -0.001 0.000 0.278 436 V C 0.244 176.262 176.094 -0.126 0.000 1.021 436 V CA -0.724 61.519 62.300 -0.095 0.000 0.838 436 V CB 1.478 33.260 31.823 -0.069 0.000 0.999 436 V HN 0.443 nan 8.190 nan 0.000 0.447 437 V N 6.052 125.812 119.914 -0.257 0.000 2.348 437 V HA 0.328 4.447 4.120 -0.001 0.000 0.270 437 V C -0.262 175.595 176.094 -0.396 0.000 1.037 437 V CA -0.384 61.663 62.300 -0.421 0.000 0.872 437 V CB 1.013 32.292 31.823 -0.907 0.000 1.002 437 V HN 0.710 nan 8.190 nan 0.000 0.464 438 F N 5.523 125.232 119.950 -0.400 0.000 2.390 438 F HA 0.430 4.956 4.527 -0.001 0.000 0.361 438 F C 0.542 176.160 175.800 -0.303 0.000 1.124 438 F CA -0.124 57.631 58.000 -0.408 0.000 1.149 438 F CB 0.510 39.271 39.000 -0.398 0.000 1.160 438 F HN 0.470 nan 8.300 nan 0.000 0.501 439 N N 4.933 123.256 118.700 -0.628 0.000 2.546 439 N HA 0.283 5.023 4.740 -0.001 0.000 0.238 439 N C 0.058 175.336 175.510 -0.386 0.000 0.984 439 N CA -0.080 52.833 53.050 -0.230 0.000 0.935 439 N CB 1.193 39.705 38.487 0.042 0.000 1.122 439 N HN 0.827 nan 8.380 nan 0.000 0.510 440 G N 1.168 109.852 108.800 -0.194 0.000 2.621 440 G HA2 0.227 4.187 3.960 -0.001 0.000 0.271 440 G HA3 0.227 4.187 3.960 -0.001 0.000 0.271 440 G C -0.576 174.318 174.900 -0.011 0.000 1.236 440 G CA -0.116 44.855 45.100 -0.215 0.000 0.958 440 G HN 0.650 nan 8.290 nan 0.000 0.512 441 Y N -3.092 117.205 120.300 -0.005 0.000 3.689 441 Y HA -0.121 4.428 4.550 -0.001 0.000 0.221 441 Y C 0.934 176.823 175.900 -0.019 0.000 1.247 441 Y CA 0.367 58.454 58.100 -0.020 0.000 1.671 441 Y CB -2.027 36.397 38.460 -0.060 0.000 1.521 441 Y HN 0.876 nan 8.280 nan 0.000 0.632 442 A N -0.153 122.693 122.820 0.044 0.000 2.331 442 A HA 0.712 5.031 4.320 -0.001 0.000 0.320 442 A C 0.922 178.501 177.584 -0.008 0.000 1.138 442 A CA 0.023 52.070 52.037 0.015 0.000 0.790 442 A CB 0.738 19.721 19.000 -0.029 0.000 1.206 442 A HN 0.577 nan 8.150 nan 0.000 0.470 443 N N -0.709 117.985 118.700 -0.010 0.000 2.927 443 N HA -0.283 4.457 4.740 -0.001 0.000 0.220 443 N C 0.210 175.701 175.510 -0.031 0.000 0.845 443 N CA 1.543 54.524 53.050 -0.116 0.000 1.089 443 N CB -0.744 37.574 38.487 -0.282 0.000 0.994 443 N HN 1.660 nan 8.380 nan 0.000 0.616 444 A N -1.089 121.766 122.820 0.058 0.000 2.511 444 A HA 0.648 4.967 4.320 -0.001 0.000 0.293 444 A C -2.251 175.421 177.584 0.146 0.000 1.098 444 A CA -0.445 51.687 52.037 0.159 0.000 0.643 444 A CB 0.846 19.945 19.000 0.166 0.000 1.302 444 A HN 0.282 nan 8.150 nan 0.000 0.446 445 Y N -0.057 120.264 120.300 0.035 0.000 2.331 445 Y HA 0.594 5.144 4.550 -0.001 0.000 0.326 445 Y C -0.059 175.834 175.900 -0.013 0.000 1.020 445 Y CA 0.028 58.068 58.100 -0.101 0.000 1.136 445 Y CB 1.834 40.090 38.460 -0.340 0.000 1.157 445 Y HN 1.237 nan 8.280 nan 0.000 0.444 446 A N 4.268 126.773 122.820 -0.525 0.000 2.956 446 A HA 0.625 4.945 4.320 -0.001 0.000 0.294 446 A C 0.611 177.936 177.584 -0.432 0.000 0.993 446 A CA 0.385 52.270 52.037 -0.253 0.000 1.032 446 A CB -0.542 18.458 19.000 0.000 0.000 1.129 446 A HN 0.949 nan 8.150 nan 0.000 0.505 447 S N -1.399 113.701 115.700 -1.000 0.000 3.790 447 S HA -0.232 4.238 4.470 -0.001 0.000 0.628 447 S C -0.054 174.223 174.600 -0.538 0.000 2.348 447 S CA 1.441 59.299 58.200 -0.570 0.000 3.927 447 S CB -1.055 62.163 63.200 0.031 0.000 0.236 447 S HN 0.780 nan 8.310 nan 0.000 0.953 448 Y N 0.591 120.767 120.300 -0.207 0.000 2.419 448 Y HA 0.648 5.198 4.550 -0.001 0.000 0.328 448 Y C 0.285 176.030 175.900 -0.258 0.000 1.162 448 Y CA -0.706 57.271 58.100 -0.205 0.000 1.174 448 Y CB 1.249 39.656 38.460 -0.088 0.000 1.228 448 Y HN 0.413 nan 8.280 nan 0.000 0.473 449 V N 1.760 121.530 119.914 -0.239 0.000 2.483 449 V HA 0.473 4.593 4.120 -0.001 0.000 0.297 449 V C -0.305 175.722 176.094 -0.111 0.000 1.027 449 V CA -0.657 61.448 62.300 -0.325 0.000 0.855 449 V CB 1.682 32.853 31.823 -1.086 0.000 0.995 449 V HN 0.856 nan 8.190 nan 0.000 0.424 450 T N 2.607 117.176 114.554 0.025 0.000 2.924 450 T HA 0.603 4.953 4.350 -0.001 0.000 0.291 450 T C 0.200 174.944 174.700 0.075 0.000 1.045 450 T CA -0.037 62.107 62.100 0.073 0.000 1.015 450 T CB 1.725 70.656 68.868 0.106 0.000 1.103 450 T HN 0.949 nan 8.240 nan 0.000 0.496 451 T N 1.436 116.031 114.554 0.068 0.000 2.813 451 T HA 0.250 4.600 4.350 -0.001 0.000 0.297 451 T C 1.390 176.099 174.700 0.014 0.000 1.036 451 T CA -0.473 61.660 62.100 0.055 0.000 1.044 451 T CB 0.706 69.602 68.868 0.046 0.000 0.993 451 T HN 0.636 nan 8.240 nan 0.000 0.535 452 R N 1.104 121.572 120.500 -0.052 0.000 2.119 452 R HA -0.166 4.174 4.340 -0.001 0.000 0.246 452 R C 2.073 178.321 176.300 -0.087 0.000 1.146 452 R CA 2.231 58.194 56.100 -0.228 0.000 0.962 452 R CB -1.027 29.065 30.300 -0.347 0.000 0.863 452 R HN 0.898 nan 8.270 nan 0.000 0.442 453 E N 0.085 120.272 120.200 -0.023 0.000 2.051 453 E HA -0.162 4.187 4.350 -0.001 0.000 0.192 453 E C 1.960 178.569 176.600 0.014 0.000 0.991 453 E CA 1.854 58.253 56.400 -0.002 0.000 0.799 453 E CB -0.112 29.589 29.700 0.002 0.000 0.748 453 E HN 0.541 nan 8.360 nan 0.000 0.449 454 E N -0.257 119.960 120.200 0.028 0.000 2.106 454 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 454 E C 1.835 178.454 176.600 0.032 0.000 0.984 454 E CA 0.902 57.321 56.400 0.032 0.000 0.806 454 E CB -0.233 29.498 29.700 0.051 0.000 0.750 454 E HN 0.320 nan 8.360 nan 0.000 0.458 455 Y N 1.497 121.747 120.300 -0.084 0.000 2.165 455 Y HA -0.268 4.282 4.550 -0.001 0.000 0.286 455 Y C 2.312 178.148 175.900 -0.107 0.000 1.155 455 Y CA 1.476 59.511 58.100 -0.109 0.000 1.164 455 Y CB -0.234 38.129 38.460 -0.161 0.000 0.978 455 Y HN 0.011 nan 8.280 nan 0.000 0.513 456 A N 0.132 122.992 122.820 0.067 0.000 2.024 456 A HA -0.117 4.203 4.320 -0.001 0.000 0.220 456 A C 2.269 179.812 177.584 -0.067 0.000 1.164 456 A CA 1.667 53.705 52.037 0.001 0.000 0.643 456 A CB -1.260 17.746 19.000 0.010 0.000 0.806 456 A HN 0.592 nan 8.150 nan 0.000 0.451 457 A N -2.452 120.327 122.820 -0.069 0.000 2.123 457 A HA 0.151 4.471 4.320 -0.001 0.000 0.214 457 A C 1.016 178.534 177.584 -0.110 0.000 1.152 457 A CA 0.828 52.825 52.037 -0.067 0.000 0.728 457 A CB -0.139 18.840 19.000 -0.035 0.000 0.814 457 A HN 0.393 nan 8.150 nan 0.000 0.464 458 Q N 0.272 119.956 119.800 -0.194 0.000 2.435 458 Q HA -0.187 4.153 4.340 -0.001 0.000 0.312 458 Q C -0.260 175.646 176.000 -0.157 0.000 1.333 458 Q CA 1.096 56.746 55.803 -0.254 0.000 0.883 458 Q CB -1.682 26.898 28.738 -0.265 0.000 1.170 458 Q HN 0.864 nan 8.270 nan 0.000 0.443 459 E N -1.224 118.912 120.200 -0.107 0.000 2.620 459 E HA 0.052 4.402 4.350 -0.001 0.000 0.255 459 E C 0.891 177.454 176.600 -0.061 0.000 1.346 459 E CA -0.406 55.967 56.400 -0.046 0.000 1.013 459 E CB 0.145 29.842 29.700 -0.006 0.000 1.131 459 E HN 0.236 nan 8.360 nan 0.000 0.608 460 Y N 1.425 121.649 120.300 -0.128 0.000 2.062 460 Y HA -0.350 4.200 4.550 -0.001 0.000 0.273 460 Y C 1.870 177.606 175.900 -0.273 0.000 1.206 460 Y CA 2.564 60.561 58.100 -0.172 0.000 1.125 460 Y CB -0.069 38.291 38.460 -0.167 0.000 0.951 460 Y HN 0.535 nan 8.280 nan 0.000 0.501 461 E N -0.439 119.577 120.200 -0.306 0.000 2.110 461 E HA -0.091 4.259 4.350 -0.001 0.000 0.193 461 E C 2.460 178.897 176.600 -0.271 0.000 0.988 461 E CA 1.220 57.350 56.400 -0.451 0.000 0.804 461 E CB -0.885 28.750 29.700 -0.109 0.000 0.745 461 E HN 0.621 nan 8.360 nan 0.000 0.458 462 G N 0.285 108.959 108.800 -0.210 0.000 2.402 462 G HA2 -0.198 3.761 3.960 -0.001 0.000 0.216 462 G HA3 -0.198 3.761 3.960 -0.001 0.000 0.216 462 G C 1.679 176.378 174.900 -0.335 0.000 1.162 462 G CA 0.650 45.609 45.100 -0.235 0.000 0.777 462 G HN 0.427 nan 8.290 nan 0.000 0.539 463 G N 0.123 108.718 108.800 -0.342 0.000 2.462 463 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.220 463 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.220 463 G C 1.594 176.342 174.900 -0.254 0.000 1.121 463 G CA 1.215 46.135 45.100 -0.300 0.000 0.758 463 G HN 0.413 nan 8.290 nan 0.000 0.559 464 S N 0.155 115.663 115.700 -0.320 0.000 2.583 464 S HA 0.188 4.657 4.470 -0.001 0.000 0.239 464 S C 0.413 174.997 174.600 -0.027 0.000 0.966 464 S CA -0.233 57.856 58.200 -0.184 0.000 0.973 464 S CB 0.491 63.526 63.200 -0.276 0.000 0.794 464 S HN 0.173 nan 8.310 nan 0.000 0.463 465 T N 3.363 117.916 114.554 -0.002 0.000 3.151 465 T HA 0.297 4.647 4.350 -0.001 0.000 0.332 465 T C 1.503 176.225 174.700 0.038 0.000 1.245 465 T CA -0.207 61.946 62.100 0.087 0.000 1.019 465 T CB 0.110 69.125 68.868 0.244 0.000 1.109 465 T HN 0.244 nan 8.240 nan 0.000 0.621 466 L N 1.618 122.743 121.223 -0.163 0.000 2.010 466 L HA -0.198 4.141 4.340 -0.001 0.000 0.219 466 L C 1.372 177.979 176.870 -0.439 0.000 1.077 466 L CA 1.827 56.408 54.840 -0.433 0.000 0.773 466 L CB -0.584 40.932 42.059 -0.905 0.000 0.892 466 L HN 0.668 nan 8.230 nan 0.000 0.436 467 Y N 0.049 120.410 120.300 0.101 0.000 2.496 467 Y HA 0.441 4.990 4.550 -0.001 0.000 0.313 467 Y C 1.270 177.178 175.900 0.014 0.000 1.184 467 Y CA 0.144 58.292 58.100 0.081 0.000 1.275 467 Y CB -0.599 37.947 38.460 0.143 0.000 1.103 467 Y HN 0.269 nan 8.280 nan 0.000 0.513 468 G N 0.741 109.564 108.800 0.039 0.000 2.655 468 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.680 468 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.680 468 G C -1.898 172.524 174.900 -0.797 0.000 1.302 468 G CA -0.570 44.422 45.100 -0.180 0.000 0.872 468 G HN 0.026 nan 8.290 nan 0.000 0.540 469 P HA -0.089 nan 4.420 nan 0.000 0.219 469 P C 0.900 177.521 177.300 -1.133 0.000 1.146 469 P CA 1.969 64.003 63.100 -1.776 0.000 0.808 469 P CB -0.024 30.864 31.700 -1.354 0.000 0.779 470 W N -0.332 120.800 121.300 -0.279 0.000 3.223 470 W HA 0.206 4.866 4.660 -0.000 0.000 0.389 470 W C 1.787 178.267 176.519 -0.066 0.000 1.118 470 W CA -0.197 57.073 57.345 -0.124 0.000 1.902 470 W CB -0.582 28.823 29.460 -0.091 0.000 1.094 470 W HN -0.165 nan 8.180 nan 0.000 0.666 471 T N 0.139 114.738 114.554 0.075 0.000 2.708 471 T HA -0.279 4.071 4.350 -0.001 0.000 0.266 471 T C 2.001 176.881 174.700 0.300 0.000 1.037 471 T CA 1.447 63.664 62.100 0.194 0.000 1.146 471 T CB -0.152 68.872 68.868 0.260 0.000 0.865 471 T HN 0.134 nan 8.240 nan 0.000 0.435 472 Q N 1.035 120.987 119.800 0.254 0.000 2.061 472 Q HA -0.098 4.241 4.340 -0.001 0.000 0.204 472 Q C 2.541 178.741 176.000 0.334 0.000 0.984 472 Q CA 1.949 57.945 55.803 0.321 0.000 0.846 472 Q CB -0.546 28.314 28.738 0.203 0.000 0.902 472 Q HN 0.531 nan 8.270 nan 0.000 0.421 473 A N 0.773 123.774 122.820 0.300 0.000 1.908 473 A HA -0.116 4.204 4.320 -0.001 0.000 0.218 473 A C 2.348 179.961 177.584 0.048 0.000 1.181 473 A CA 2.168 54.367 52.037 0.271 0.000 0.627 473 A CB -0.907 18.327 19.000 0.389 0.000 0.818 473 A HN 0.508 nan 8.150 nan 0.000 0.445 474 A N -1.376 121.438 122.820 -0.009 0.000 1.883 474 A HA -0.118 4.202 4.320 -0.001 0.000 0.217 474 A C 2.098 179.534 177.584 -0.247 0.000 1.186 474 A CA 1.687 53.564 52.037 -0.267 0.000 0.624 474 A CB -0.873 17.858 19.000 -0.448 0.000 0.822 474 A HN 0.569 nan 8.150 nan 0.000 0.444 475 Y N -0.345 119.973 120.300 0.029 0.000 2.224 475 Y HA -0.224 4.325 4.550 -0.001 0.000 0.289 475 Y C 2.707 178.735 175.900 0.213 0.000 1.146 475 Y CA 1.885 60.112 58.100 0.211 0.000 1.182 475 Y CB -0.434 38.366 38.460 0.567 0.000 0.983 475 Y HN 0.498 nan 8.280 nan 0.000 0.524 476 Q N -0.041 119.938 119.800 0.298 0.000 2.167 476 Q HA -0.258 4.082 4.340 -0.001 0.000 0.202 476 Q C 2.308 178.232 176.000 -0.128 0.000 0.970 476 Q CA 1.548 57.474 55.803 0.204 0.000 0.855 476 Q CB -0.086 28.809 28.738 0.263 0.000 0.911 476 Q HN 0.569 nan 8.270 nan 0.000 0.438 477 Q N -0.151 119.286 119.800 -0.605 0.000 2.123 477 Q HA -0.129 4.210 4.340 -0.001 0.000 0.199 477 Q C 1.993 177.732 176.000 -0.435 0.000 0.966 477 Q CA 0.876 56.043 55.803 -1.060 0.000 0.845 477 Q CB 0.078 28.104 28.738 -1.185 0.000 0.907 477 Q HN 0.447 nan 8.270 nan 0.000 0.439 478 L N -0.539 120.496 121.223 -0.314 0.000 2.027 478 L HA -0.125 4.214 4.340 -0.001 0.000 0.206 478 L C 2.100 178.831 176.870 -0.231 0.000 1.074 478 L CA 0.927 55.587 54.840 -0.301 0.000 0.745 478 L CB -0.369 41.456 42.059 -0.391 0.000 0.898 478 L HN 0.203 nan 8.230 nan 0.000 0.433 479 F N -0.886 119.055 119.950 -0.016 0.000 2.259 479 F HA -0.133 4.393 4.527 -0.001 0.000 0.298 479 F C 2.315 178.123 175.800 0.013 0.000 1.088 479 F CA 0.850 58.858 58.000 0.014 0.000 1.358 479 F CB -0.636 38.400 39.000 0.060 0.000 1.040 479 F HN -0.233 nan 8.300 nan 0.000 0.505 480 V N -0.158 119.866 119.914 0.184 0.000 2.307 480 V HA -0.259 3.861 4.120 -0.001 0.000 0.245 480 V C 1.922 178.077 176.094 0.102 0.000 1.045 480 V CA 2.007 64.404 62.300 0.162 0.000 1.024 480 V CB -0.487 31.484 31.823 0.246 0.000 0.651 480 V HN 0.166 nan 8.190 nan 0.000 0.449 481 D N -0.631 119.791 120.400 0.037 0.000 2.178 481 D HA -0.203 4.437 4.640 -0.001 0.000 0.201 481 D C 1.982 178.289 176.300 0.011 0.000 0.980 481 D CA 1.413 55.420 54.000 0.011 0.000 0.842 481 D CB -0.223 40.548 40.800 -0.049 0.000 0.948 481 D HN 0.393 nan 8.370 nan 0.000 0.472 482 M N 0.072 119.677 119.600 0.008 0.000 2.200 482 M HA -0.066 4.413 4.480 -0.001 0.000 0.265 482 M C 1.944 178.282 176.300 0.063 0.000 1.066 482 M CA 1.268 56.581 55.300 0.021 0.000 1.127 482 M CB 0.170 32.773 32.600 0.005 0.000 1.379 482 M HN -0.002 nan 8.290 nan 0.000 0.420 483 A N -0.054 122.820 122.820 0.090 0.000 1.902 483 A HA -0.125 4.195 4.320 -0.001 0.000 0.217 483 A C 2.061 179.680 177.584 0.059 0.000 1.181 483 A CA 1.885 53.971 52.037 0.083 0.000 0.623 483 A CB -1.380 17.676 19.000 0.093 0.000 0.818 483 A HN 0.567 nan 8.150 nan 0.000 0.443 484 V N -2.299 117.649 119.914 0.056 0.000 2.427 484 V HA -0.057 4.063 4.120 -0.001 0.000 0.248 484 V C 2.524 178.639 176.094 0.035 0.000 1.051 484 V CA 1.786 64.112 62.300 0.043 0.000 1.048 484 V CB -1.553 30.297 31.823 0.045 0.000 0.666 484 V HN 0.502 nan 8.190 nan 0.000 0.456 485 A N 0.706 123.547 122.820 0.034 0.000 1.902 485 A HA -0.073 4.247 4.320 -0.001 0.000 0.217 485 A C 2.280 179.885 177.584 0.035 0.000 1.181 485 A CA 2.215 54.270 52.037 0.030 0.000 0.623 485 A CB -0.718 18.298 19.000 0.027 0.000 0.818 485 A HN 0.570 nan 8.150 nan 0.000 0.443 486 L N -1.156 120.092 121.223 0.043 0.000 2.046 486 L HA -0.186 4.154 4.340 -0.001 0.000 0.208 486 L C 2.830 179.719 176.870 0.032 0.000 1.077 486 L CA 1.773 56.639 54.840 0.044 0.000 0.747 486 L CB -0.380 41.712 42.059 0.054 0.000 0.896 486 L HN 0.473 nan 8.230 nan 0.000 0.432 487 R N -0.042 120.476 120.500 0.029 0.000 2.096 487 R HA -0.155 4.185 4.340 -0.001 0.000 0.235 487 R C 1.736 178.046 176.300 0.017 0.000 1.127 487 R CA 1.341 57.453 56.100 0.020 0.000 0.968 487 R CB 0.076 30.388 30.300 0.019 0.000 0.861 487 R HN 0.319 nan 8.270 nan 0.000 0.440 488 E N 0.399 120.610 120.200 0.019 0.000 2.474 488 E HA 0.004 4.353 4.350 -0.001 0.000 0.194 488 E C -0.092 176.518 176.600 0.017 0.000 1.041 488 E CA 0.055 56.464 56.400 0.016 0.000 0.874 488 E CB 0.283 29.993 29.700 0.016 0.000 0.914 488 E HN 0.265 nan 8.360 nan 0.000 0.498 489 R N 0.252 120.764 120.500 0.020 0.000 3.332 489 R HA -0.165 4.175 4.340 -0.001 0.000 0.263 489 R C -0.440 175.873 176.300 0.021 0.000 1.053 489 R CA 0.353 56.465 56.100 0.021 0.000 0.705 489 R CB -2.378 27.932 30.300 0.017 0.000 1.166 489 R HN 0.128 nan 8.270 nan 0.000 0.427 490 L N -0.472 120.765 121.223 0.024 0.000 2.323 490 L HA 0.650 4.990 4.340 -0.001 0.000 0.265 490 L C -1.972 174.915 176.870 0.028 0.000 1.012 490 L CA -2.551 52.303 54.840 0.023 0.000 0.820 490 L CB 1.458 43.529 42.059 0.019 0.000 1.334 490 L HN -0.189 nan 8.230 nan 0.000 0.427 491 P HA 0.146 nan 4.420 nan 0.000 0.274 491 P C -0.739 176.580 177.300 0.031 0.000 1.256 491 P CA -0.346 62.776 63.100 0.036 0.000 0.795 491 P CB 0.886 32.608 31.700 0.038 0.000 1.038 492 V N 0.742 120.677 119.914 0.034 0.000 3.134 492 V HA 0.164 4.284 4.120 -0.001 0.000 0.313 492 V C 0.369 176.472 176.094 0.015 0.000 1.069 492 V CA -0.697 61.612 62.300 0.015 0.000 1.048 492 V CB 0.985 32.812 31.823 0.007 0.000 1.119 492 V HN 0.623 nan 8.190 nan 0.000 0.461 493 E N 1.486 121.685 120.200 -0.003 0.000 2.438 493 E HA -0.030 4.319 4.350 -0.001 0.000 0.261 493 E C 0.000 176.614 176.600 0.024 0.000 1.103 493 E CA -0.099 56.303 56.400 0.004 0.000 0.959 493 E CB -0.120 29.572 29.700 -0.013 0.000 0.958 493 E HN 0.553 nan 8.360 nan 0.000 0.447 494 T N 1.668 116.243 114.554 0.035 0.000 2.871 494 T HA 0.020 4.369 4.350 -0.001 0.000 0.296 494 T C -0.032 174.713 174.700 0.076 0.000 0.998 494 T CA 0.144 62.280 62.100 0.059 0.000 1.162 494 T CB 0.047 68.947 68.868 0.052 0.000 0.947 494 T HN 0.394 nan 8.240 nan 0.000 0.536 495 S N 3.280 119.053 115.700 0.122 0.000 2.562 495 S HA 0.454 4.924 4.470 -0.001 0.000 0.281 495 S C 0.602 175.311 174.600 0.182 0.000 1.333 495 S CA -0.620 57.688 58.200 0.180 0.000 1.052 495 S CB 0.601 63.988 63.200 0.313 0.000 0.884 495 S HN 0.923 nan 8.310 nan 0.000 0.506 496 A N 3.466 126.395 122.820 0.182 0.000 2.280 496 A HA 0.543 4.862 4.320 -0.001 0.000 0.268 496 A C 0.049 177.707 177.584 0.125 0.000 1.111 496 A CA -0.493 51.620 52.037 0.126 0.000 0.814 496 A CB 0.122 19.180 19.000 0.097 0.000 1.093 496 A HN 0.683 nan 8.150 nan 0.000 0.498 497 I N 0.826 121.422 120.570 0.044 0.000 2.342 497 I HA 0.350 4.520 4.170 -0.001 0.000 0.291 497 I C 0.828 176.857 176.117 -0.147 0.000 1.010 497 I CA -0.135 61.151 61.300 -0.023 0.000 1.308 497 I CB 0.474 38.479 38.000 0.009 0.000 1.400 497 I HN 0.633 nan 8.210 nan 0.000 0.488 498 A N 8.994 131.583 122.820 -0.386 0.000 2.354 498 A HA 0.548 4.867 4.320 -0.001 0.000 0.281 498 A C -2.165 175.320 177.584 -0.165 0.000 1.174 498 A CA -1.101 50.665 52.037 -0.452 0.000 0.828 498 A CB -0.535 17.881 19.000 -0.974 0.000 1.099 498 A HN 0.491 nan 8.150 nan 0.000 0.516 499 P HA 0.063 nan 4.420 nan 0.000 0.264 499 P C -0.702 176.571 177.300 -0.045 0.000 1.193 499 P CA 0.240 63.335 63.100 -0.008 0.000 0.763 499 P CB 0.516 32.249 31.700 0.055 0.000 0.810 500 D N 3.229 123.599 120.400 -0.050 0.000 2.359 500 D HA 0.112 4.752 4.640 -0.001 0.000 0.230 500 D C 0.264 176.464 176.300 -0.166 0.000 1.118 500 D CA -0.105 53.861 54.000 -0.056 0.000 0.844 500 D CB 0.338 41.125 40.800 -0.021 0.000 1.059 500 D HN 0.249 nan 8.370 nan 0.000 0.493 501 L N 2.916 123.985 121.223 -0.257 0.000 2.769 501 L HA 0.050 4.390 4.340 -0.001 0.000 0.240 501 L C 2.014 178.440 176.870 -0.741 0.000 1.163 501 L CA -0.104 54.409 54.840 -0.545 0.000 0.962 501 L CB -0.033 41.584 42.059 -0.737 0.000 1.258 501 L HN 0.324 nan 8.230 nan 0.000 0.513 502 S N -0.435 114.938 115.700 -0.545 0.000 2.442 502 S HA -0.202 4.267 4.470 -0.001 0.000 0.236 502 S C 2.098 176.438 174.600 -0.433 0.000 1.007 502 S CA 0.928 58.772 58.200 -0.595 0.000 0.965 502 S CB -0.891 62.206 63.200 -0.172 0.000 0.773 502 S HN 0.687 nan 8.310 nan 0.000 0.504 503 C N 0.377 119.495 119.300 -0.304 0.000 2.466 503 C HA 0.259 4.719 4.460 -0.001 0.000 0.278 503 C C 1.655 176.537 174.990 -0.180 0.000 1.288 503 C CA -0.274 58.635 59.018 -0.181 0.000 1.722 503 C CB -1.740 25.944 27.740 -0.093 0.000 2.017 503 C HN 0.635 nan 8.230 nan 0.000 0.488 504 C N 2.335 121.495 119.300 -0.234 0.000 2.626 504 C HA 0.427 4.886 4.460 -0.001 0.000 0.356 504 C C -0.259 174.600 174.990 -0.219 0.000 1.398 504 C CA -0.354 58.576 59.018 -0.147 0.000 1.678 504 C CB -1.690 26.061 27.740 0.018 0.000 2.430 504 C HN 0.563 nan 8.230 nan 0.000 0.561 505 Q N 1.266 120.888 119.800 -0.297 0.000 2.290 505 Q HA 0.577 4.916 4.340 -0.001 0.000 0.259 505 Q C -0.279 175.666 176.000 -0.091 0.000 0.941 505 Q CA 0.247 55.875 55.803 -0.293 0.000 0.912 505 Q CB 1.913 30.277 28.738 -0.623 0.000 1.244 505 Q HN 0.635 nan 8.270 nan 0.000 0.441 506 M N 1.743 121.345 119.600 0.005 0.000 2.573 506 M HA 0.435 4.914 4.480 -0.001 0.000 0.309 506 M C -0.184 176.044 176.300 -0.120 0.000 1.202 506 M CA -0.765 54.546 55.300 0.019 0.000 0.975 506 M CB 1.428 34.212 32.600 0.305 0.000 1.600 506 M HN 0.473 nan 8.290 nan 0.000 0.479 507 N N 0.267 118.828 118.700 -0.232 0.000 2.578 507 N HA 0.322 5.061 4.740 -0.001 0.000 0.282 507 N C -1.572 173.728 175.510 -0.349 0.000 1.119 507 N CA -0.279 52.619 53.050 -0.254 0.000 0.948 507 N CB 0.834 39.212 38.487 -0.182 0.000 1.546 507 N HN 0.486 nan 8.380 nan 0.000 0.525 508 F N 0.396 120.261 119.950 -0.143 0.000 2.653 508 F HA 0.340 4.866 4.527 -0.001 0.000 0.304 508 F C 0.809 176.582 175.800 -0.044 0.000 1.092 508 F CA -0.304 57.670 58.000 -0.044 0.000 1.279 508 F CB 0.402 39.421 39.000 0.032 0.000 1.044 508 F HN 0.438 nan 8.300 nan 0.000 0.564 509 Q N 1.488 121.307 119.800 0.031 0.000 2.294 509 Q HA 0.252 4.591 4.340 -0.001 0.000 0.257 509 Q C -0.049 175.934 176.000 -0.030 0.000 0.955 509 Q CA -0.038 55.771 55.803 0.009 0.000 0.936 509 Q CB 0.783 29.506 28.738 -0.025 0.000 1.188 509 Q HN 0.115 nan 8.270 nan 0.000 0.420 510 T N 3.094 117.643 114.554 -0.009 0.000 2.926 510 T HA 0.475 4.824 4.350 -0.001 0.000 0.307 510 T C 0.482 175.135 174.700 -0.078 0.000 1.059 510 T CA 0.069 62.149 62.100 -0.034 0.000 1.122 510 T CB 0.907 69.773 68.868 -0.004 0.000 0.972 510 T HN 0.769 nan 8.240 nan 0.000 0.545 511 G N 0.584 109.323 108.800 -0.103 0.000 2.695 511 G HA2 0.505 4.465 3.960 -0.001 0.000 0.213 511 G HA3 0.505 4.465 3.960 -0.001 0.000 0.213 511 G C -0.541 174.234 174.900 -0.208 0.000 1.406 511 G CA -0.680 44.321 45.100 -0.165 0.000 1.049 511 G HN 0.656 nan 8.290 nan 0.000 0.573 512 V N 0.621 120.386 119.914 -0.248 0.000 2.432 512 V HA 0.170 4.289 4.120 -0.001 0.000 0.271 512 V C 1.156 177.210 176.094 -0.067 0.000 1.046 512 V CA -0.384 61.782 62.300 -0.223 0.000 0.945 512 V CB 1.107 32.784 31.823 -0.244 0.000 0.992 512 V HN 0.423 nan 8.190 nan 0.000 0.471 513 V N 3.808 123.721 119.914 -0.002 0.000 2.379 513 V HA 0.379 4.498 4.120 -0.001 0.000 0.243 513 V C 0.836 177.010 176.094 0.132 0.000 1.035 513 V CA 1.592 63.933 62.300 0.067 0.000 1.035 513 V CB 0.060 31.915 31.823 0.054 0.000 0.673 513 V HN 1.001 nan 8.190 nan 0.000 0.457 514 A N -1.141 121.739 122.820 0.101 0.000 2.590 514 A HA 0.554 4.874 4.320 -0.001 0.000 0.294 514 A C -2.018 175.654 177.584 0.146 0.000 1.046 514 A CA -0.671 51.439 52.037 0.122 0.000 0.684 514 A CB 1.086 20.142 19.000 0.093 0.000 1.279 514 A HN 0.166 nan 8.150 nan 0.000 0.415 515 D N 0.911 121.430 120.400 0.198 0.000 2.342 515 D HA 0.618 5.258 4.640 -0.001 0.000 0.243 515 D C -1.402 175.164 176.300 0.443 0.000 1.019 515 D CA -0.020 54.170 54.000 0.317 0.000 0.864 515 D CB 2.037 43.001 40.800 0.273 0.000 1.315 515 D HN 0.512 nan 8.370 nan 0.000 0.468 516 D N 0.731 121.390 120.400 0.432 0.000 2.756 516 D HA 0.350 4.990 4.640 -0.001 0.000 0.226 516 D C -2.507 173.811 176.300 0.030 0.000 1.186 516 D CA -1.305 52.840 54.000 0.241 0.000 0.845 516 D CB 3.125 43.983 40.800 0.097 0.000 1.610 516 D HN -0.077 nan 8.370 nan 0.000 0.465 517 P HA 0.163 nan 4.420 nan 0.000 0.277 517 P C -0.393 176.870 177.300 -0.062 0.000 1.271 517 P CA -0.205 62.594 63.100 -0.502 0.000 0.795 517 P CB 0.580 31.850 31.700 -0.716 0.000 1.101 518 Y N -0.142 120.079 120.300 -0.131 0.000 2.550 518 Y HA -0.020 4.530 4.550 -0.001 0.000 0.343 518 Y C 1.185 177.038 175.900 -0.079 0.000 1.245 518 Y CA -0.297 57.759 58.100 -0.073 0.000 1.462 518 Y CB 0.090 38.519 38.460 -0.053 0.000 1.340 518 Y HN 0.118 nan 8.280 nan 0.000 0.604 519 I N 3.090 123.698 120.570 0.063 0.000 2.742 519 I HA -0.099 4.071 4.170 -0.001 0.000 0.287 519 I C 1.281 177.423 176.117 0.043 0.000 1.186 519 I CA 1.119 62.435 61.300 0.028 0.000 1.417 519 I CB -0.588 37.418 38.000 0.009 0.000 1.377 519 I HN 0.975 nan 8.210 nan 0.000 0.556 520 G N 5.370 114.181 108.800 0.017 0.000 2.179 520 G HA2 -0.220 3.740 3.960 -0.001 0.000 0.260 520 G HA3 -0.220 3.740 3.960 -0.001 0.000 0.260 520 G C 0.485 175.388 174.900 0.005 0.000 0.977 520 G CA -0.059 45.048 45.100 0.012 0.000 0.641 520 G HN 0.507 nan 8.290 nan 0.000 0.533 521 K N 0.114 120.516 120.400 0.003 0.000 2.316 521 K HA 0.825 5.145 4.320 -0.001 0.000 0.234 521 K C 0.228 176.789 176.600 -0.065 0.000 1.054 521 K CA 0.094 56.371 56.287 -0.017 0.000 0.879 521 K CB 1.620 34.115 32.500 -0.009 0.000 1.252 521 K HN 0.667 nan 8.250 nan 0.000 0.471 522 S N -0.413 115.252 115.700 -0.059 0.000 2.570 522 S HA 0.604 5.073 4.470 -0.001 0.000 0.286 522 S C -0.457 174.127 174.600 -0.026 0.000 1.099 522 S CA -0.841 57.304 58.200 -0.092 0.000 0.913 522 S CB 0.468 63.673 63.200 0.009 0.000 1.085 522 S HN 0.272 nan 8.310 nan 0.000 0.480 523 F N 1.717 121.751 119.950 0.140 0.000 2.629 523 F HA 0.428 4.954 4.527 -0.001 0.000 0.369 523 F C 1.925 177.824 175.800 0.164 0.000 1.125 523 F CA 1.567 59.668 58.000 0.168 0.000 1.330 523 F CB -0.250 38.847 39.000 0.162 0.000 1.071 523 F HN 1.160 nan 8.300 nan 0.000 0.595 524 G N 1.475 110.530 108.800 0.426 0.000 2.217 524 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.246 524 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.246 524 G C -0.070 175.061 174.900 0.384 0.000 0.990 524 G CA -0.138 45.181 45.100 0.366 0.000 0.627 524 G HN 0.603 nan 8.290 nan 0.000 0.522 525 D N 0.262 120.810 120.400 0.246 0.000 2.423 525 D HA 0.417 5.057 4.640 -0.001 0.000 0.238 525 D C 0.704 177.045 176.300 0.069 0.000 1.142 525 D CA 0.116 54.190 54.000 0.124 0.000 0.884 525 D CB 1.425 42.237 40.800 0.020 0.000 1.199 525 D HN 0.195 nan 8.370 nan 0.000 0.438 526 V N 4.125 123.999 119.914 -0.066 0.000 2.389 526 V HA 0.062 4.181 4.120 -0.001 0.000 0.264 526 V C 1.355 177.279 176.094 -0.284 0.000 1.049 526 V CA -0.159 61.945 62.300 -0.327 0.000 0.932 526 V CB 0.721 32.356 31.823 -0.314 0.000 1.011 526 V HN 0.498 nan 8.190 nan 0.000 0.475 527 L N 3.015 124.035 121.223 -0.339 0.000 2.240 527 L HA 0.139 4.479 4.340 -0.001 0.000 0.211 527 L C 1.141 177.871 176.870 -0.234 0.000 1.106 527 L CA 1.016 55.676 54.840 -0.300 0.000 0.793 527 L CB 0.054 41.893 42.059 -0.366 0.000 0.927 527 L HN 0.659 nan 8.230 nan 0.000 0.446 528 Q N 0.437 120.079 119.800 -0.262 0.000 2.295 528 Q HA 0.214 4.554 4.340 -0.001 0.000 0.259 528 Q C -1.154 174.730 176.000 -0.194 0.000 0.966 528 Q CA -0.494 55.196 55.803 -0.189 0.000 0.763 528 Q CB 1.493 30.139 28.738 -0.154 0.000 1.283 528 Q HN 0.079 nan 8.270 nan 0.000 0.445 529 Q N 3.629 123.353 119.800 -0.125 0.000 2.306 529 Q HA 0.419 4.758 4.340 -0.001 0.000 0.241 529 Q C -2.120 173.867 176.000 -0.022 0.000 0.948 529 Q CA -1.539 54.222 55.803 -0.070 0.000 0.886 529 Q CB 1.044 29.766 28.738 -0.027 0.000 1.227 529 Q HN 0.546 nan 8.270 nan 0.000 0.457 530 P HA 0.113 nan 4.420 nan 0.000 0.272 530 P C -0.315 177.043 177.300 0.096 0.000 1.240 530 P CA -0.146 62.988 63.100 0.057 0.000 0.791 530 P CB 0.966 32.631 31.700 -0.059 0.000 0.978 531 R N 0.377 120.909 120.500 0.053 0.000 2.801 531 R HA 0.044 4.384 4.340 -0.001 0.000 0.273 531 R C 1.642 177.893 176.300 -0.081 0.000 1.080 531 R CA -0.307 55.694 56.100 -0.167 0.000 1.197 531 R CB 0.037 30.029 30.300 -0.513 0.000 1.109 531 R HN 0.584 nan 8.270 nan 0.000 0.535 532 E N 0.554 120.705 120.200 -0.082 0.000 2.058 532 E HA -0.161 4.189 4.350 -0.001 0.000 0.194 532 E C -0.130 176.498 176.600 0.047 0.000 0.997 532 E CA 1.525 57.934 56.400 0.016 0.000 0.801 532 E CB 0.239 29.934 29.700 -0.009 0.000 0.746 532 E HN 0.586 nan 8.360 nan 0.000 0.450 533 S N -2.110 113.523 115.700 -0.112 0.000 2.607 533 S HA 0.549 5.019 4.470 -0.001 0.000 0.273 533 S C -1.234 173.206 174.600 -0.267 0.000 1.148 533 S CA -1.031 57.155 58.200 -0.024 0.000 0.833 533 S CB 1.175 64.374 63.200 -0.002 0.000 1.130 533 S HN 0.162 nan 8.310 nan 0.000 0.470 534 Y N -0.297 120.065 120.300 0.103 0.000 2.581 534 Y HA 0.659 5.209 4.550 -0.001 0.000 0.345 534 Y C 0.375 176.279 175.900 0.006 0.000 1.036 534 Y CA -1.068 57.049 58.100 0.029 0.000 1.042 534 Y CB 1.895 40.361 38.460 0.009 0.000 1.289 534 Y HN 0.640 nan 8.280 nan 0.000 0.471 535 R N 1.156 121.737 120.500 0.135 0.000 2.720 535 R HA 0.589 4.929 4.340 -0.001 0.000 0.272 535 R C -1.019 175.279 176.300 -0.004 0.000 0.991 535 R CA -1.133 54.997 56.100 0.049 0.000 1.010 535 R CB 1.673 31.984 30.300 0.017 0.000 1.141 535 R HN 0.582 nan 8.270 nan 0.000 0.494 536 I N 1.448 121.997 120.570 -0.035 0.000 2.668 536 I HA -0.028 4.141 4.170 -0.001 0.000 0.285 536 I C 1.237 177.298 176.117 -0.095 0.000 1.168 536 I CA 1.445 62.690 61.300 -0.093 0.000 1.424 536 I CB 0.579 38.543 38.000 -0.060 0.000 1.377 536 I HN 1.066 nan 8.210 nan 0.000 0.560 537 G N 3.921 112.631 108.800 -0.150 0.000 2.231 537 G HA2 -0.189 3.771 3.960 -0.001 0.000 0.206 537 G HA3 -0.189 3.771 3.960 -0.001 0.000 0.206 537 G C -0.066 174.755 174.900 -0.133 0.000 0.996 537 G CA -0.564 44.461 45.100 -0.124 0.000 0.645 537 G HN 0.542 nan 8.290 nan 0.000 0.498 538 D N 0.625 120.946 120.400 -0.132 0.000 2.313 538 D HA 0.504 5.144 4.640 -0.001 0.000 0.247 538 D C 0.300 176.471 176.300 -0.215 0.000 1.094 538 D CA 0.055 53.999 54.000 -0.094 0.000 0.925 538 D CB 1.294 42.132 40.800 0.063 0.000 1.188 538 D HN 0.336 nan 8.370 nan 0.000 0.430 539 K N 1.092 121.388 120.400 -0.174 0.000 2.263 539 K HA 0.370 4.689 4.320 -0.001 0.000 0.272 539 K C -1.219 175.211 176.600 -0.284 0.000 1.033 539 K CA -0.645 55.498 56.287 -0.240 0.000 0.884 539 K CB 0.765 33.158 32.500 -0.179 0.000 1.107 539 K HN 0.101 nan 8.250 nan 0.000 0.460 540 V N 4.031 123.670 119.914 -0.458 0.000 2.432 540 V HA 0.209 4.329 4.120 -0.001 0.000 0.271 540 V C -0.118 175.820 176.094 -0.259 0.000 1.046 540 V CA -0.350 61.566 62.300 -0.640 0.000 0.945 540 V CB 1.296 32.569 31.823 -0.917 0.000 0.992 540 V HN 0.804 nan 8.190 nan 0.000 0.471 541 T N 4.793 119.245 114.554 -0.171 0.000 2.792 541 T HA 0.677 5.027 4.350 -0.001 0.000 0.280 541 T C -0.485 174.167 174.700 -0.080 0.000 0.990 541 T CA -0.340 61.705 62.100 -0.092 0.000 0.960 541 T CB 1.721 70.544 68.868 -0.075 0.000 0.939 541 T HN 0.370 nan 8.240 nan 0.000 0.439 542 V N 1.731 121.615 119.914 -0.050 0.000 3.078 542 V HA 0.954 5.073 4.120 -0.001 0.000 0.311 542 V C -0.786 175.257 176.094 -0.085 0.000 1.138 542 V CA -0.826 61.424 62.300 -0.083 0.000 1.007 542 V CB 2.220 34.025 31.823 -0.030 0.000 1.045 542 V HN 1.077 nan 8.190 nan 0.000 0.432 543 A N 2.561 125.233 122.820 -0.247 0.000 2.475 543 A HA 0.967 5.287 4.320 -0.001 0.000 0.301 543 A C -1.632 175.708 177.584 -0.406 0.000 1.059 543 A CA -0.363 51.561 52.037 -0.189 0.000 0.710 543 A CB 1.452 20.363 19.000 -0.148 0.000 1.288 543 A HN 0.585 nan 8.150 nan 0.000 0.408 544 F N 0.256 120.145 119.950 -0.102 0.000 2.603 544 F HA 0.547 5.073 4.527 -0.001 0.000 0.317 544 F C 0.112 175.890 175.800 -0.037 0.000 1.066 544 F CA -0.927 57.035 58.000 -0.063 0.000 0.941 544 F CB 2.241 41.227 39.000 -0.023 0.000 1.291 544 F HN 0.320 nan 8.300 nan 0.000 0.472 545 V N 1.795 121.846 119.914 0.229 0.000 2.488 545 V HA 0.443 4.563 4.120 -0.001 0.000 0.277 545 V C -0.085 176.295 176.094 0.477 0.000 1.046 545 V CA 0.185 62.633 62.300 0.248 0.000 0.986 545 V CB 0.764 32.680 31.823 0.155 0.000 0.989 545 V HN 0.897 nan 8.190 nan 0.000 0.475 546 T N 2.886 117.757 114.554 0.528 0.000 2.669 546 T HA 0.747 5.096 4.350 -0.001 0.000 0.283 546 T C 0.111 175.160 174.700 0.581 0.000 1.019 546 T CA -0.271 62.185 62.100 0.594 0.000 1.039 546 T CB 1.884 71.102 68.868 0.583 0.000 1.374 546 T HN 0.843 nan 8.240 nan 0.000 0.523 547 G N -0.787 108.246 108.800 0.389 0.000 2.600 547 G HA2 0.500 4.460 3.960 -0.001 0.000 0.303 547 G HA3 0.500 4.460 3.960 -0.001 0.000 0.303 547 G C -1.084 174.065 174.900 0.415 0.000 1.253 547 G CA -0.486 44.775 45.100 0.268 0.000 0.974 547 G HN 0.710 nan 8.290 nan 0.000 0.483 548 H N 1.887 121.107 119.070 0.250 0.000 3.091 548 H HA 0.073 4.629 4.556 -0.001 0.000 0.289 548 H C -1.140 174.115 175.328 -0.121 0.000 0.995 548 H CA -1.257 54.773 56.048 -0.029 0.000 1.461 548 H CB 1.790 31.510 29.762 -0.070 0.000 1.510 548 H HN 0.156 nan 8.280 nan 0.000 0.546 549 P HA -0.153 nan 4.420 nan 0.000 0.223 549 P C 1.245 178.631 177.300 0.143 0.000 1.144 549 P CA 1.022 64.188 63.100 0.109 0.000 0.783 549 P CB 0.308 31.914 31.700 -0.156 0.000 0.771 550 K N -0.166 120.339 120.400 0.174 0.000 2.280 550 K HA -0.083 4.236 4.320 -0.001 0.000 0.202 550 K C 1.848 178.421 176.600 -0.045 0.000 1.047 550 K CA 0.698 56.978 56.287 -0.011 0.000 0.942 550 K CB -0.193 32.137 32.500 -0.282 0.000 0.739 550 K HN 0.028 nan 8.250 nan 0.000 0.457 551 N N 0.870 119.567 118.700 -0.006 0.000 2.223 551 N HA -0.132 4.607 4.740 -0.001 0.000 0.185 551 N C -0.062 175.436 175.510 -0.021 0.000 1.016 551 N CA 1.094 54.129 53.050 -0.025 0.000 0.863 551 N CB 0.107 38.592 38.487 -0.004 0.000 0.983 551 N HN 0.226 nan 8.380 nan 0.000 0.429 552 D N -0.757 119.651 120.400 0.014 0.000 2.861 552 D HA 0.089 4.728 4.640 -0.001 0.000 0.216 552 D C 0.264 176.567 176.300 0.005 0.000 1.323 552 D CA -0.486 53.498 54.000 -0.027 0.000 0.917 552 D CB 1.226 41.980 40.800 -0.076 0.000 1.582 552 D HN -0.292 nan 8.370 nan 0.000 0.576 553 L N 3.034 124.239 121.223 -0.031 0.000 2.275 553 L HA 0.143 4.483 4.340 -0.001 0.000 0.215 553 L C 1.353 178.146 176.870 -0.128 0.000 1.119 553 L CA 0.966 55.799 54.840 -0.011 0.000 0.790 553 L CB -0.693 41.330 42.059 -0.061 0.000 0.919 553 L HN 0.587 nan 8.230 nan 0.000 0.443 554 R N -0.447 119.904 120.500 -0.248 0.000 3.336 554 R HA -0.152 4.187 4.340 -0.001 0.000 0.260 554 R C -0.040 176.092 176.300 -0.279 0.000 1.032 554 R CA 0.568 56.440 56.100 -0.381 0.000 0.693 554 R CB -2.820 27.011 30.300 -0.783 0.000 1.134 554 R HN 0.246 nan 8.270 nan 0.000 0.433 555 T N 2.051 116.483 114.554 -0.202 0.000 2.908 555 T HA 0.001 4.350 4.350 -0.001 0.000 0.301 555 T C 1.059 175.662 174.700 -0.161 0.000 1.019 555 T CA 0.152 62.142 62.100 -0.184 0.000 1.152 555 T CB 0.599 69.374 68.868 -0.155 0.000 0.966 555 T HN 0.305 nan 8.240 nan 0.000 0.540 556 E N 0.196 120.311 120.200 -0.142 0.000 3.496 556 E HA -0.172 4.178 4.350 -0.001 0.000 0.300 556 E C 0.184 176.738 176.600 -0.077 0.000 0.877 556 E CA 1.332 57.703 56.400 -0.050 0.000 1.050 556 E CB -0.991 28.688 29.700 -0.035 0.000 1.532 556 E HN 0.718 nan 8.360 nan 0.000 0.447 557 K N -1.050 119.256 120.400 -0.158 0.000 1.884 557 K HA 0.664 4.984 4.320 -0.001 0.000 0.250 557 K C -0.014 176.438 176.600 -0.248 0.000 1.009 557 K CA -0.091 56.054 56.287 -0.238 0.000 0.925 557 K CB 1.505 33.802 32.500 -0.339 0.000 1.839 557 K HN -0.011 nan 8.250 nan 0.000 0.735 558 T N -0.977 113.348 114.554 -0.381 0.000 2.840 558 T HA 0.387 4.737 4.350 -0.001 0.000 0.317 558 T C -0.996 173.475 174.700 -0.382 0.000 1.401 558 T CA -0.601 61.330 62.100 -0.283 0.000 1.028 558 T CB 0.431 69.228 68.868 -0.119 0.000 1.317 558 T HN 0.335 nan 8.240 nan 0.000 0.495 559 F N 2.716 122.562 119.950 -0.173 0.000 2.743 559 F HA 0.416 4.942 4.527 -0.001 0.000 0.297 559 F C 0.761 176.584 175.800 0.037 0.000 1.131 559 F CA -0.051 57.821 58.000 -0.214 0.000 1.426 559 F CB 0.463 39.015 39.000 -0.747 0.000 1.116 559 F HN 0.373 nan 8.300 nan 0.000 0.583 560 L N -2.079 119.275 121.223 0.218 0.000 2.622 560 L HA 0.639 4.979 4.340 -0.001 0.000 0.258 560 L C -1.438 175.522 176.870 0.151 0.000 0.996 560 L CA -0.749 54.223 54.840 0.220 0.000 0.858 560 L CB 1.909 44.103 42.059 0.224 0.000 1.449 560 L HN -0.114 nan 8.230 nan 0.000 0.411 561 E N 0.963 121.228 120.200 0.109 0.000 2.304 561 E HA 0.550 4.900 4.350 -0.001 0.000 0.277 561 E C -1.431 175.110 176.600 -0.098 0.000 0.898 561 E CA -0.788 55.623 56.400 0.019 0.000 0.764 561 E CB 3.292 33.037 29.700 0.076 0.000 1.216 561 E HN 0.440 nan 8.360 nan 0.000 0.419 562 V N 3.351 123.135 119.914 -0.218 0.000 2.364 562 V HA 0.218 4.338 4.120 -0.001 0.000 0.272 562 V C -0.174 175.741 176.094 -0.298 0.000 1.036 562 V CA -0.534 61.544 62.300 -0.371 0.000 0.880 562 V CB 1.177 32.471 31.823 -0.881 0.000 0.991 562 V HN 0.409 nan 8.190 nan 0.000 0.460 563 V N 4.638 124.331 119.914 -0.369 0.000 2.483 563 V HA 0.403 4.522 4.120 -0.001 0.000 0.295 563 V C 0.019 175.915 176.094 -0.330 0.000 1.035 563 V CA -0.796 61.242 62.300 -0.437 0.000 0.896 563 V CB 1.927 33.191 31.823 -0.932 0.000 0.986 563 V HN 0.930 nan 8.190 nan 0.000 0.447 564 N N 4.064 122.577 118.700 -0.312 0.000 2.425 564 N HA 0.419 5.159 4.740 -0.001 0.000 0.268 564 N C 0.138 175.454 175.510 -0.323 0.000 0.991 564 N CA -0.618 52.065 53.050 -0.612 0.000 0.931 564 N CB 0.998 39.175 38.487 -0.516 0.000 1.130 564 N HN 0.694 nan 8.380 nan 0.000 0.493 565 I N 0.802 121.215 120.570 -0.263 0.000 3.877 565 I HA 0.606 4.775 4.170 -0.001 0.000 0.332 565 I C 0.710 176.773 176.117 -0.091 0.000 1.525 565 I CA -0.525 60.729 61.300 -0.078 0.000 1.146 565 I CB -0.391 37.646 38.000 0.061 0.000 1.137 565 I HN 0.604 nan 8.210 nan 0.000 0.424 566 G N 1.931 110.643 108.800 -0.146 0.000 2.655 566 G HA2 -0.196 3.763 3.960 -0.001 0.000 0.680 566 G HA3 -0.196 3.763 3.960 -0.001 0.000 0.680 566 G C -0.059 174.844 174.900 0.005 0.000 1.302 566 G CA -0.215 44.841 45.100 -0.072 0.000 0.872 566 G HN 0.286 nan 8.290 nan 0.000 0.540 567 K N -0.111 120.311 120.400 0.037 0.000 2.296 567 K HA 0.060 4.380 4.320 -0.001 0.000 0.200 567 K C 1.533 178.207 176.600 0.123 0.000 1.048 567 K CA 1.700 58.053 56.287 0.111 0.000 0.966 567 K CB 0.068 32.610 32.500 0.071 0.000 0.754 567 K HN 0.584 nan 8.250 nan 0.000 0.466 568 D N -1.792 118.602 120.400 -0.011 0.000 2.433 568 D HA 0.108 4.748 4.640 -0.001 0.000 0.211 568 D C 0.937 177.054 176.300 -0.306 0.000 1.114 568 D CA 0.321 54.247 54.000 -0.125 0.000 0.837 568 D CB 0.534 41.292 40.800 -0.069 0.000 0.984 568 D HN 0.116 nan 8.370 nan 0.000 0.505 569 G N 0.796 109.438 108.800 -0.263 0.000 2.162 569 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.260 569 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.260 569 G C 0.727 175.551 174.900 -0.128 0.000 0.976 569 G CA 0.238 45.189 45.100 -0.248 0.000 0.655 569 G HN 0.316 nan 8.290 nan 0.000 0.533 570 K N 0.430 120.772 120.400 -0.097 0.000 2.896 570 K HA 0.283 4.602 4.320 -0.001 0.000 0.210 570 K C 0.431 177.007 176.600 -0.039 0.000 1.116 570 K CA -0.033 56.217 56.287 -0.062 0.000 1.050 570 K CB 0.156 32.620 32.500 -0.060 0.000 0.812 570 K HN 0.457 nan 8.250 nan 0.000 0.462 571 Q N 0.122 119.900 119.800 -0.036 0.000 2.248 571 Q HA 0.310 4.650 4.340 -0.001 0.000 0.263 571 Q C -0.331 175.660 176.000 -0.015 0.000 1.007 571 Q CA -0.526 55.261 55.803 -0.027 0.000 0.877 571 Q CB 0.888 29.605 28.738 -0.034 0.000 1.315 571 Q HN -0.006 nan 8.270 nan 0.000 0.454 572 T N 4.429 118.976 114.554 -0.011 0.000 2.822 572 T HA 0.088 4.437 4.350 -0.001 0.000 0.288 572 T C -2.097 172.602 174.700 -0.001 0.000 0.991 572 T CA -0.523 61.577 62.100 -0.000 0.000 1.176 572 T CB -0.276 68.591 68.868 -0.003 0.000 0.951 572 T HN 0.312 nan 8.240 nan 0.000 0.526 573 P HA 0.141 nan 4.420 nan 0.000 0.263 573 P C -0.919 176.370 177.300 -0.019 0.000 1.195 573 P CA -0.103 63.009 63.100 0.020 0.000 0.762 573 P CB 0.483 32.249 31.700 0.110 0.000 0.799 574 V N 3.657 123.536 119.914 -0.058 0.000 2.483 574 V HA 0.241 4.361 4.120 -0.001 0.000 0.297 574 V C 0.796 176.849 176.094 -0.068 0.000 1.027 574 V CA -0.563 61.708 62.300 -0.048 0.000 0.855 574 V CB 1.771 33.572 31.823 -0.037 0.000 0.995 574 V HN 0.671 nan 8.190 nan 0.000 0.424 575 T N 3.439 117.961 114.554 -0.054 0.000 2.851 575 T HA 0.294 4.644 4.350 -0.001 0.000 0.298 575 T C 0.787 175.474 174.700 -0.021 0.000 0.977 575 T CA 0.372 62.434 62.100 -0.064 0.000 1.126 575 T CB 1.204 70.043 68.868 -0.047 0.000 0.916 575 T HN 0.830 nan 8.240 nan 0.000 0.529 576 V N 1.829 121.728 119.914 -0.026 0.000 3.645 576 V HA 0.757 4.877 4.120 -0.001 0.000 0.275 576 V C 0.542 176.661 176.094 0.041 0.000 1.356 576 V CA 0.359 62.686 62.300 0.045 0.000 1.051 576 V CB -0.653 31.255 31.823 0.140 0.000 0.828 576 V HN 1.114 nan 8.190 nan 0.000 0.441 577 A N -0.766 122.010 122.820 -0.073 0.000 2.549 577 A HA 0.828 5.148 4.320 -0.001 0.000 0.297 577 A C -0.526 177.040 177.584 -0.030 0.000 1.061 577 A CA -0.128 51.881 52.037 -0.047 0.000 0.690 577 A CB 2.008 20.852 19.000 -0.261 0.000 1.287 577 A HN 0.158 nan 8.150 nan 0.000 0.402 578 T N -0.510 114.076 114.554 0.054 0.000 2.864 578 T HA 0.451 4.801 4.350 -0.001 0.000 0.289 578 T C 0.440 175.207 174.700 0.111 0.000 1.082 578 T CA 0.453 62.596 62.100 0.072 0.000 1.009 578 T CB 1.310 70.233 68.868 0.093 0.000 1.234 578 T HN 0.822 nan 8.240 nan 0.000 0.526 579 D N 0.574 121.051 120.400 0.128 0.000 2.378 579 D HA -0.063 4.576 4.640 -0.001 0.000 0.222 579 D C 1.262 177.665 176.300 0.172 0.000 0.980 579 D CA 0.779 54.881 54.000 0.171 0.000 0.907 579 D CB -0.179 40.746 40.800 0.209 0.000 0.899 579 D HN 0.395 nan 8.370 nan 0.000 0.527 580 N N 0.245 119.055 118.700 0.183 0.000 2.395 580 N HA -0.081 4.658 4.740 -0.001 0.000 0.175 580 N C -0.329 175.224 175.510 0.071 0.000 1.029 580 N CA 0.148 53.327 53.050 0.214 0.000 0.897 580 N CB 0.088 38.812 38.487 0.393 0.000 0.991 580 N HN -0.008 nan 8.380 nan 0.000 0.441 581 D N -0.254 120.196 120.400 0.085 0.000 2.414 581 D HA -0.118 4.521 4.640 -0.001 0.000 0.242 581 D C 0.782 177.052 176.300 -0.050 0.000 1.129 581 D CA -0.214 53.791 54.000 0.009 0.000 0.885 581 D CB 0.411 41.310 40.800 0.165 0.000 1.198 581 D HN 0.344 nan 8.370 nan 0.000 0.437 582 W N 2.560 123.640 121.300 -0.368 0.000 2.374 582 W HA -0.160 4.500 4.660 -0.001 0.000 0.288 582 W C 0.544 177.189 176.519 0.211 0.000 1.218 582 W CA 0.861 58.138 57.345 -0.115 0.000 1.245 582 W CB 0.223 29.688 29.460 0.008 0.000 1.126 582 W HN 0.359 nan 8.180 nan 0.000 0.545 583 D N 0.250 120.842 120.400 0.320 0.000 2.348 583 D HA -0.055 4.585 4.640 -0.001 0.000 0.216 583 D C 0.998 177.464 176.300 0.276 0.000 0.970 583 D CA 1.140 55.312 54.000 0.287 0.000 0.889 583 D CB 0.149 41.208 40.800 0.432 0.000 0.912 583 D HN 0.106 nan 8.370 nan 0.000 0.524 584 T N -2.310 112.379 114.554 0.224 0.000 2.942 584 T HA 0.645 4.995 4.350 -0.001 0.000 0.289 584 T C -0.379 174.389 174.700 0.113 0.000 1.044 584 T CA -0.890 61.326 62.100 0.193 0.000 1.023 584 T CB 2.823 71.799 68.868 0.180 0.000 1.123 584 T HN -0.198 nan 8.240 nan 0.000 0.512 585 Q N 0.445 120.294 119.800 0.083 0.000 2.309 585 Q HA 0.382 4.722 4.340 -0.001 0.000 0.273 585 Q C -2.176 173.905 176.000 0.136 0.000 1.040 585 Q CA -0.905 54.928 55.803 0.049 0.000 0.834 585 Q CB 2.913 31.562 28.738 -0.149 0.000 1.345 585 Q HN 0.820 nan 8.270 nan 0.000 0.414 586 Y N 2.223 122.547 120.300 0.040 0.000 2.328 586 Y HA 0.569 5.118 4.550 -0.001 0.000 0.336 586 Y C -1.367 174.534 175.900 0.002 0.000 0.960 586 Y CA -0.667 57.453 58.100 0.035 0.000 1.134 586 Y CB 1.206 39.696 38.460 0.050 0.000 1.166 586 Y HN 0.582 nan 8.280 nan 0.000 0.464 587 R N 5.736 125.881 120.500 -0.592 0.000 2.599 587 R HA 0.405 4.745 4.340 -0.001 0.000 0.295 587 R C -2.146 173.808 176.300 -0.576 0.000 0.963 587 R CA -0.689 55.098 56.100 -0.522 0.000 0.883 587 R CB 1.228 31.389 30.300 -0.233 0.000 1.171 587 R HN 0.855 nan 8.270 nan 0.000 0.450 588 W N 4.717 125.632 121.300 -0.641 0.000 2.666 588 W HA 0.343 5.003 4.660 -0.001 0.000 0.334 588 W C -1.211 175.149 176.519 -0.264 0.000 1.051 588 W CA -0.353 56.734 57.345 -0.430 0.000 1.224 588 W CB 1.283 30.498 29.460 -0.407 0.000 1.405 588 W HN 0.606 nan 8.180 nan 0.000 0.513 589 E N 4.319 123.894 120.200 -1.041 0.000 2.343 589 E HA 0.377 4.726 4.350 -0.001 0.000 0.278 589 E C -1.337 174.432 176.600 -1.386 0.000 0.910 589 E CA -1.214 54.596 56.400 -0.982 0.000 0.757 589 E CB 1.585 31.006 29.700 -0.465 0.000 1.218 589 E HN 0.403 nan 8.360 nan 0.000 0.435 590 R N 1.853 121.684 120.500 -1.116 0.000 2.442 590 R HA 0.316 4.656 4.340 -0.001 0.000 0.291 590 R C -0.888 175.161 176.300 -0.418 0.000 1.069 590 R CA -0.207 55.477 56.100 -0.693 0.000 1.022 590 R CB 0.982 31.118 30.300 -0.274 0.000 0.976 590 R HN 0.494 nan 8.270 nan 0.000 0.443 591 V N 4.259 123.955 119.914 -0.364 0.000 2.656 591 V HA 0.889 5.008 4.120 -0.001 0.000 0.307 591 V C 0.432 176.338 176.094 -0.313 0.000 1.051 591 V CA 0.425 62.514 62.300 -0.351 0.000 0.893 591 V CB 1.016 32.541 31.823 -0.497 0.000 0.999 591 V HN 1.176 nan 8.190 nan 0.000 0.426 592 G N 4.992 113.641 108.800 -0.251 0.000 2.564 592 G HA2 -0.221 3.739 3.960 -0.001 0.000 0.273 592 G HA3 -0.221 3.739 3.960 -0.001 0.000 0.273 592 G C 0.350 175.177 174.900 -0.122 0.000 1.242 592 G CA 0.280 45.268 45.100 -0.187 0.000 0.951 592 G HN 1.070 nan 8.290 nan 0.000 0.564 593 I N 1.049 121.565 120.570 -0.090 0.000 2.429 593 I HA 0.080 4.250 4.170 -0.001 0.000 0.247 593 I C 2.573 178.678 176.117 -0.020 0.000 1.099 593 I CA 2.588 63.857 61.300 -0.052 0.000 1.422 593 I CB -0.859 37.111 38.000 -0.049 0.000 1.112 593 I HN 0.891 nan 8.210 nan 0.000 0.430 594 S N -0.722 114.970 115.700 -0.014 0.000 2.900 594 S HA 0.579 5.049 4.470 -0.001 0.000 0.253 594 S C 0.513 175.174 174.600 0.102 0.000 1.029 594 S CA -0.446 57.787 58.200 0.056 0.000 1.096 594 S CB 0.296 63.522 63.200 0.043 0.000 1.067 594 S HN 0.196 nan 8.310 nan 0.000 0.610 595 A N 1.842 124.665 122.820 0.006 0.000 2.248 595 A HA 0.942 5.261 4.320 -0.001 0.000 0.316 595 A C 0.215 177.790 177.584 -0.014 0.000 1.101 595 A CA -0.308 51.740 52.037 0.019 0.000 0.875 595 A CB 1.065 19.947 19.000 -0.197 0.000 1.207 595 A HN 1.096 nan 8.150 nan 0.000 0.504 596 S N -0.443 115.296 115.700 0.065 0.000 2.565 596 S HA 0.638 5.108 4.470 -0.001 0.000 0.269 596 S C -1.176 173.440 174.600 0.026 0.000 1.153 596 S CA -0.900 57.215 58.200 -0.142 0.000 0.835 596 S CB 1.557 64.724 63.200 -0.055 0.000 1.122 596 S HN 0.858 nan 8.310 nan 0.000 0.462 597 K N 0.648 120.915 120.400 -0.221 0.000 2.345 597 K HA 0.707 5.027 4.320 -0.001 0.000 0.255 597 K C -1.175 175.359 176.600 -0.110 0.000 0.934 597 K CA -0.750 55.520 56.287 -0.030 0.000 0.801 597 K CB 1.928 34.438 32.500 0.016 0.000 1.137 597 K HN 0.955 nan 8.250 nan 0.000 0.424 598 A N 3.181 126.014 122.820 0.022 0.000 2.253 598 A HA 0.384 4.704 4.320 -0.001 0.000 0.316 598 A C -0.649 176.948 177.584 0.022 0.000 1.327 598 A CA -0.418 51.630 52.037 0.018 0.000 0.917 598 A CB 0.573 19.484 19.000 -0.148 0.000 1.162 598 A HN 0.629 nan 8.150 nan 0.000 0.535 599 T N 3.830 118.357 114.554 -0.045 0.000 2.758 599 T HA 0.532 4.882 4.350 -0.001 0.000 0.285 599 T C -0.202 174.522 174.700 0.041 0.000 0.981 599 T CA 0.160 62.249 62.100 -0.018 0.000 0.965 599 T CB 0.200 69.019 68.868 -0.081 0.000 0.927 599 T HN 0.470 nan 8.240 nan 0.000 0.448 600 I N 3.367 124.010 120.570 0.120 0.000 2.433 600 I HA 0.455 4.624 4.170 -0.001 0.000 0.292 600 I C 0.293 176.468 176.117 0.096 0.000 1.001 600 I CA -0.671 60.729 61.300 0.166 0.000 1.119 600 I CB 1.818 39.985 38.000 0.278 0.000 1.289 600 I HN 0.623 nan 8.210 nan 0.000 0.438 601 S N 4.247 119.990 115.700 0.071 0.000 2.566 601 S HA 0.683 5.152 4.470 -0.001 0.000 0.298 601 S C -1.550 173.132 174.600 0.136 0.000 1.083 601 S CA -0.749 57.469 58.200 0.032 0.000 0.978 601 S CB 2.375 65.536 63.200 -0.065 0.000 1.073 601 S HN 0.625 nan 8.310 nan 0.000 0.491 602 W N 1.654 122.870 121.300 -0.140 0.000 2.968 602 W HA 0.586 5.245 4.660 -0.001 0.000 0.337 602 W C -1.446 174.981 176.519 -0.155 0.000 1.060 602 W CA -0.680 56.596 57.345 -0.115 0.000 1.240 602 W CB 1.717 31.131 29.460 -0.076 0.000 1.370 602 W HN 0.647 nan 8.180 nan 0.000 0.459 603 S N 6.758 122.259 115.700 -0.332 0.000 2.409 603 S HA 0.357 4.826 4.470 -0.001 0.000 0.308 603 S C 0.211 174.338 174.600 -0.788 0.000 1.080 603 S CA -0.491 57.442 58.200 -0.446 0.000 1.081 603 S CB -0.168 62.897 63.200 -0.226 0.000 1.009 603 S HN 0.364 nan 8.310 nan 0.000 0.502 604 I N 6.651 126.584 120.570 -1.063 0.000 2.752 604 I HA 0.038 4.208 4.170 -0.001 0.000 0.286 604 I C -1.687 174.128 176.117 -0.504 0.000 1.180 604 I CA -0.983 59.619 61.300 -1.163 0.000 1.404 604 I CB 0.046 37.501 38.000 -0.909 0.000 1.389 604 I HN 0.293 nan 8.210 nan 0.000 0.549 605 P HA 0.331 nan 4.420 nan 0.000 0.284 605 P C -2.615 174.664 177.300 -0.035 0.000 1.258 605 P CA -2.181 60.876 63.100 -0.071 0.000 0.824 605 P CB 0.538 32.285 31.700 0.078 0.000 1.038 606 P HA 0.069 nan 4.420 nan 0.000 0.265 606 P C 1.038 178.357 177.300 0.031 0.000 1.187 606 P CA 1.507 64.608 63.100 0.002 0.000 0.766 606 P CB -0.167 31.537 31.700 0.006 0.000 0.820 607 G N 1.091 109.911 108.800 0.034 0.000 2.194 607 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.236 607 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.236 607 G C 0.279 175.228 174.900 0.083 0.000 0.987 607 G CA -0.083 45.049 45.100 0.053 0.000 0.635 607 G HN 0.592 nan 8.290 nan 0.000 0.520 608 T N 2.760 117.363 114.554 0.082 0.000 2.888 608 T HA 0.371 4.720 4.350 -0.001 0.000 0.301 608 T C 0.379 175.175 174.700 0.160 0.000 1.001 608 T CA 0.039 62.220 62.100 0.134 0.000 1.147 608 T CB 0.994 69.895 68.868 0.056 0.000 0.931 608 T HN 0.298 nan 8.240 nan 0.000 0.541 609 E N 4.307 124.649 120.200 0.238 0.000 2.415 609 E HA 0.070 4.419 4.350 -0.001 0.000 0.260 609 E C -2.216 174.545 176.600 0.268 0.000 1.016 609 E CA -1.461 55.069 56.400 0.217 0.000 0.924 609 E CB 0.251 30.076 29.700 0.208 0.000 0.961 609 E HN 0.363 nan 8.360 nan 0.000 0.459 610 P HA 0.145 nan 4.420 nan 0.000 0.271 610 P C 0.025 177.442 177.300 0.196 0.000 1.220 610 P CA 0.257 63.462 63.100 0.174 0.000 0.768 610 P CB 0.975 32.739 31.700 0.107 0.000 0.848 611 G N 1.810 110.751 108.800 0.235 0.000 2.367 611 G HA2 0.132 4.092 3.960 -0.001 0.000 0.272 611 G HA3 0.132 4.092 3.960 -0.001 0.000 0.272 611 G C -1.784 173.171 174.900 0.092 0.000 1.271 611 G CA -0.613 44.587 45.100 0.167 0.000 0.893 611 G HN 0.441 nan 8.290 nan 0.000 0.485 612 H N -0.547 118.504 119.070 -0.031 0.000 2.489 612 H HA 0.727 5.283 4.556 -0.001 0.000 0.322 612 H C -0.955 174.197 175.328 -0.294 0.000 1.091 612 H CA 0.208 56.219 56.048 -0.062 0.000 1.291 612 H CB 1.136 30.874 29.762 -0.040 0.000 1.436 612 H HN 0.474 nan 8.280 nan 0.000 0.480 613 Y N 1.381 121.488 120.300 -0.320 0.000 2.609 613 Y HA 0.392 4.941 4.550 -0.001 0.000 0.342 613 Y C -0.919 174.745 175.900 -0.394 0.000 1.058 613 Y CA -1.189 56.650 58.100 -0.435 0.000 1.055 613 Y CB 1.788 39.856 38.460 -0.654 0.000 1.292 613 Y HN 0.656 nan 8.280 nan 0.000 0.476 614 Y N -1.066 119.230 120.300 -0.007 0.000 2.597 614 Y HA 0.815 5.364 4.550 -0.001 0.000 0.340 614 Y C -1.915 174.150 175.900 0.275 0.000 1.097 614 Y CA -1.819 56.413 58.100 0.219 0.000 1.037 614 Y CB 1.144 39.700 38.460 0.160 0.000 1.305 614 Y HN 0.440 nan 8.280 nan 0.000 0.463 615 I N 3.451 124.315 120.570 0.490 0.000 2.377 615 I HA 0.513 4.683 4.170 -0.001 0.000 0.293 615 I C -0.399 175.946 176.117 0.380 0.000 0.987 615 I CA -0.858 60.632 61.300 0.318 0.000 1.185 615 I CB 1.870 40.092 38.000 0.369 0.000 1.341 615 I HN 0.698 nan 8.210 nan 0.000 0.455 616 R N 4.332 124.920 120.500 0.147 0.000 2.514 616 R HA 0.458 4.798 4.340 -0.001 0.000 0.301 616 R C -1.199 174.994 176.300 -0.178 0.000 0.962 616 R CA -0.651 55.453 56.100 0.006 0.000 0.882 616 R CB 1.311 31.573 30.300 -0.062 0.000 1.143 616 R HN 0.616 nan 8.270 nan 0.000 0.452 617 H N 2.649 121.324 119.070 -0.658 0.000 2.495 617 H HA 0.361 4.916 4.556 -0.001 0.000 0.348 617 H C -1.775 173.215 175.328 -0.563 0.000 1.113 617 H CA -0.460 55.196 56.048 -0.654 0.000 1.195 617 H CB 0.807 29.788 29.762 -1.301 0.000 1.521 617 H HN 0.501 nan 8.280 nan 0.000 0.509 618 Y N 2.870 122.671 120.300 -0.832 0.000 2.376 618 Y HA 0.615 5.164 4.550 -0.001 0.000 0.340 618 Y C 0.619 176.038 175.900 -0.803 0.000 0.965 618 Y CA -0.216 57.480 58.100 -0.673 0.000 1.078 618 Y CB 2.417 40.622 38.460 -0.425 0.000 1.193 618 Y HN 0.920 nan 8.280 nan 0.000 0.452 619 G N 1.591 110.164 108.800 -0.379 0.000 2.749 619 G HA2 0.617 4.577 3.960 -0.001 0.000 0.300 619 G HA3 0.617 4.577 3.960 -0.001 0.000 0.300 619 G C -1.874 172.995 174.900 -0.052 0.000 1.352 619 G CA -1.180 43.870 45.100 -0.083 0.000 0.789 619 G HN 0.521 nan 8.290 nan 0.000 0.509 620 N N -1.044 117.666 118.700 0.017 0.000 2.287 620 N HA 0.682 5.421 4.740 -0.001 0.000 0.289 620 N C -0.817 174.631 175.510 -0.104 0.000 1.066 620 N CA -0.319 52.697 53.050 -0.057 0.000 0.841 620 N CB 2.453 40.916 38.487 -0.039 0.000 1.599 620 N HN 0.839 nan 8.380 nan 0.000 0.476 621 A N 1.024 123.701 122.820 -0.238 0.000 2.386 621 A HA 0.679 4.999 4.320 -0.001 0.000 0.311 621 A C -0.911 176.574 177.584 -0.165 0.000 1.068 621 A CA -0.686 51.136 52.037 -0.358 0.000 0.743 621 A CB 1.215 19.516 19.000 -1.165 0.000 1.258 621 A HN 0.557 nan 8.150 nan 0.000 0.429 622 K N 2.085 122.452 120.400 -0.055 0.000 2.182 622 K HA 0.278 4.598 4.320 -0.001 0.000 0.262 622 K C -0.865 175.778 176.600 0.071 0.000 0.957 622 K CA -0.574 55.716 56.287 0.005 0.000 0.842 622 K CB 0.919 33.423 32.500 0.006 0.000 1.099 622 K HN 0.828 nan 8.250 nan 0.000 0.438 623 N N 4.283 123.031 118.700 0.080 0.000 2.430 623 N HA 0.075 4.814 4.740 -0.001 0.000 0.292 623 N C 0.430 175.972 175.510 0.054 0.000 1.051 623 N CA -0.252 52.874 53.050 0.126 0.000 0.917 623 N CB 0.712 39.306 38.487 0.177 0.000 1.164 623 N HN 0.581 nan 8.380 nan 0.000 0.484 624 F N 3.714 123.533 119.950 -0.218 0.000 2.102 624 F HA -0.031 4.496 4.527 -0.001 0.000 0.298 624 F C 1.234 176.807 175.800 -0.378 0.000 1.105 624 F CA 1.423 59.174 58.000 -0.414 0.000 1.239 624 F CB -0.162 38.392 39.000 -0.745 0.000 0.991 624 F HN 0.634 nan 8.300 nan 0.000 0.474 625 W N 0.011 121.370 121.300 0.098 0.000 2.358 625 W HA -0.140 4.520 4.660 -0.001 0.000 0.303 625 W C 2.688 179.170 176.519 -0.063 0.000 1.208 625 W CA 1.692 59.031 57.345 -0.010 0.000 1.274 625 W CB -1.306 28.205 29.460 0.084 0.000 1.138 625 W HN 0.092 nan 8.180 nan 0.000 0.515 626 T N -3.296 111.361 114.554 0.173 0.000 3.057 626 T HA 0.019 4.368 4.350 -0.001 0.000 0.254 626 T C 1.144 175.847 174.700 0.004 0.000 1.094 626 T CA 0.567 62.720 62.100 0.088 0.000 1.088 626 T CB -0.032 68.900 68.868 0.107 0.000 0.934 626 T HN 0.077 nan 8.240 nan 0.000 0.497 627 Q N -0.568 119.205 119.800 -0.044 0.000 2.452 627 Q HA -0.142 4.198 4.340 -0.001 0.000 0.248 627 Q C -0.369 175.612 176.000 -0.031 0.000 0.874 627 Q CA 0.977 56.735 55.803 -0.075 0.000 1.208 627 Q CB -1.643 27.033 28.738 -0.104 0.000 1.569 627 Q HN 0.576 nan 8.270 nan 0.000 0.579 628 K N 0.410 120.810 120.400 0.001 0.000 2.143 628 K HA 0.531 4.850 4.320 -0.001 0.000 0.272 628 K C 0.171 176.773 176.600 0.002 0.000 1.001 628 K CA -0.168 56.123 56.287 0.006 0.000 0.915 628 K CB 0.726 33.242 32.500 0.027 0.000 1.047 628 K HN 0.088 nan 8.250 nan 0.000 0.458 629 I N 2.612 123.174 120.570 -0.013 0.000 2.330 629 I HA 0.216 4.386 4.170 -0.001 0.000 0.289 629 I C -0.371 175.729 176.117 -0.030 0.000 1.001 629 I CA -0.382 60.901 61.300 -0.028 0.000 1.193 629 I CB 1.694 39.672 38.000 -0.037 0.000 1.345 629 I HN 0.478 nan 8.210 nan 0.000 0.461 630 S N 4.954 120.630 115.700 -0.039 0.000 2.638 630 S HA 0.387 4.856 4.470 -0.001 0.000 0.298 630 S C -0.300 174.264 174.600 -0.059 0.000 1.111 630 S CA -0.866 57.315 58.200 -0.031 0.000 1.027 630 S CB 1.697 64.897 63.200 0.001 0.000 1.064 630 S HN 0.437 nan 8.310 nan 0.000 0.525 631 E N 1.488 121.665 120.200 -0.038 0.000 2.331 631 E HA 0.424 4.774 4.350 -0.001 0.000 0.272 631 E C -0.371 176.210 176.600 -0.033 0.000 1.036 631 E CA -0.208 56.166 56.400 -0.043 0.000 0.864 631 E CB 0.963 30.649 29.700 -0.025 0.000 1.035 631 E HN 0.508 nan 8.360 nan 0.000 0.408 632 I N -1.752 118.787 120.570 -0.052 0.000 3.174 632 I HA 0.894 5.064 4.170 -0.001 0.000 0.313 632 I C -0.016 176.051 176.117 -0.084 0.000 1.155 632 I CA -0.694 60.597 61.300 -0.015 0.000 0.977 632 I CB 2.455 40.465 38.000 0.018 0.000 1.248 632 I HN 0.484 nan 8.210 nan 0.000 0.453 633 G N -0.082 108.688 108.800 -0.050 0.000 2.322 633 G HA2 0.693 4.652 3.960 -0.001 0.000 0.295 633 G HA3 0.693 4.652 3.960 -0.001 0.000 0.295 633 G C -1.287 173.571 174.900 -0.070 0.000 1.369 633 G CA -0.178 44.798 45.100 -0.206 0.000 0.821 633 G HN 1.482 nan 8.290 nan 0.000 0.536 634 G N -1.404 107.302 108.800 -0.155 0.000 2.576 634 G HA2 0.708 4.667 3.960 -0.001 0.000 0.290 634 G HA3 0.708 4.667 3.960 -0.001 0.000 0.290 634 G C -1.324 173.662 174.900 0.144 0.000 1.442 634 G CA 0.152 45.316 45.100 0.107 0.000 0.792 634 G HN 1.268 nan 8.290 nan 0.000 0.491 635 S N -0.235 115.662 115.700 0.329 0.000 2.538 635 S HA 0.729 5.198 4.470 -0.001 0.000 0.288 635 S C 0.400 175.234 174.600 0.390 0.000 1.108 635 S CA -0.348 58.084 58.200 0.386 0.000 0.971 635 S CB 1.709 65.050 63.200 0.235 0.000 1.041 635 S HN 1.208 nan 8.310 nan 0.000 0.483 636 T N 0.396 115.228 114.554 0.463 0.000 2.754 636 T HA 0.420 4.770 4.350 -0.001 0.000 0.286 636 T C 0.520 175.351 174.700 0.219 0.000 0.997 636 T CA -0.807 61.450 62.100 0.262 0.000 0.982 636 T CB 0.219 69.248 68.868 0.268 0.000 1.027 636 T HN 0.757 nan 8.240 nan 0.000 0.529 637 R N 0.308 120.909 120.500 0.168 0.000 2.649 637 R HA 0.460 4.800 4.340 -0.001 0.000 0.270 637 R C 0.207 176.670 176.300 0.270 0.000 1.105 637 R CA -0.676 55.508 56.100 0.140 0.000 1.193 637 R CB 0.028 30.397 30.300 0.115 0.000 1.120 637 R HN 0.768 nan 8.270 nan 0.000 0.561 638 S N 0.284 116.121 115.700 0.227 0.000 2.584 638 S HA 0.428 4.898 4.470 -0.001 0.000 0.273 638 S C -0.205 174.628 174.600 0.388 0.000 1.311 638 S CA -0.930 57.451 58.200 0.302 0.000 1.034 638 S CB 0.361 63.698 63.200 0.228 0.000 0.939 638 S HN 0.513 nan 8.310 nan 0.000 0.513 639 F N -0.721 119.412 119.950 0.304 0.000 2.611 639 F HA 0.777 5.304 4.527 -0.001 0.000 0.324 639 F C -0.350 175.559 175.800 0.181 0.000 1.061 639 F CA -1.394 56.761 58.000 0.258 0.000 0.954 639 F CB 1.131 40.356 39.000 0.376 0.000 1.301 639 F HN 0.696 nan 8.300 nan 0.000 0.482 640 E N 1.115 121.430 120.200 0.191 0.000 2.179 640 E HA 0.579 4.929 4.350 -0.001 0.000 0.275 640 E C -1.775 174.938 176.600 0.188 0.000 0.945 640 E CA -0.936 55.416 56.400 -0.080 0.000 0.792 640 E CB 1.947 31.492 29.700 -0.259 0.000 1.125 640 E HN 0.655 nan 8.360 nan 0.000 0.397 641 V N 6.324 126.333 119.914 0.159 0.000 2.333 641 V HA 0.243 4.362 4.120 -0.001 0.000 0.274 641 V C 0.039 176.204 176.094 0.118 0.000 1.028 641 V CA -0.542 61.870 62.300 0.188 0.000 0.851 641 V CB 0.727 32.642 31.823 0.153 0.000 1.000 641 V HN 0.667 nan 8.190 nan 0.000 0.456 642 L N 4.083 125.362 121.223 0.092 0.000 2.334 642 L HA 0.551 4.890 4.340 -0.001 0.000 0.277 642 L C 1.220 178.120 176.870 0.051 0.000 1.075 642 L CA -0.298 54.579 54.840 0.060 0.000 0.804 642 L CB 0.963 43.047 42.059 0.043 0.000 1.174 642 L HN 0.729 nan 8.230 nan 0.000 0.438 643 G N 0.987 109.816 108.800 0.048 0.000 2.305 643 G HA2 0.332 4.291 3.960 -0.001 0.000 0.243 643 G HA3 0.332 4.291 3.960 -0.001 0.000 0.243 643 G C -0.014 174.901 174.900 0.026 0.000 1.288 643 G CA 0.121 45.244 45.100 0.039 0.000 0.901 643 G HN 0.655 nan 8.290 nan 0.000 0.516 644 T N 0.000 114.564 114.554 0.017 0.000 3.816 644 T HA 0.000 4.349 4.350 -0.001 0.000 0.228 644 T CA 0.000 62.105 62.100 0.008 0.000 1.349 644 T CB 0.000 68.869 68.868 0.002 0.000 0.612 644 T HN 0.000 nan 8.240 nan 0.000 0.658