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 2awo_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVQLQNVTK AWGEVVVSKD INLDIHEGEF VVFVGPSGCG KSTLLRMIAG DATA SEQUENCE LETITSGDLF IGEKRMNDTP PAERGVGMVF QSYALYPHLS VAENMSFGLK DATA SEQUENCE LAGAKKEVIN QRVNQVAEVL QLAHLLDRKP KALSGGQRQR VAIGRTLVAE DATA SEQUENCE PSVFLLDEPL SNLDAALRVQ MRIEISRLHK RLGRTMIYVT HDQVEAMTLA DATA SEQUENCE DKIVVLDAGR VAQVGKPLEL YHYPADRFVA GFIGSPKMNF LPVKVTATAI DATA SEQUENCE DQVQVELPMP NRQQVWLPVE SRDVQVGANM SLGIRPEHLL PSDIADVILE DATA SEQUENCE GEVQVVEQLG NETQIHIQIP SIRQNLVYRQ NDVVLVEEGA TFAIGLPPER DATA SEQUENCE CHLFREDGTA CRRLHKEPGV AS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.617 177.584 0.055 0.000 1.274 2 A CA 0.000 52.064 52.037 0.044 0.000 0.836 2 A CB 0.000 19.013 19.000 0.021 0.000 0.831 3 S N -1.020 114.734 115.700 0.091 0.000 2.994 3 S HA -0.034 4.636 4.470 0.333 0.000 0.848 3 S C -0.557 174.117 174.600 0.123 0.000 0.929 3 S CA 0.521 58.798 58.200 0.130 0.000 1.388 3 S CB -1.024 62.267 63.200 0.151 0.000 1.001 3 S HN 1.760 nan 8.310 nan 0.000 0.347 4 V N 6.914 126.912 119.914 0.139 0.000 2.638 4 V HA 0.633 4.953 4.120 0.333 0.000 0.306 4 V C 0.021 176.223 176.094 0.181 0.000 1.052 4 V CA -0.559 61.830 62.300 0.148 0.000 0.885 4 V CB 2.030 33.918 31.823 0.108 0.000 0.999 4 V HN 0.859 nan 8.190 nan 0.000 0.424 5 Q N 4.157 124.104 119.800 0.245 0.000 2.323 5 Q HA 0.679 5.219 4.340 0.333 0.000 0.271 5 Q C -1.830 174.254 176.000 0.140 0.000 1.048 5 Q CA -0.829 55.081 55.803 0.179 0.000 0.792 5 Q CB 2.967 31.802 28.738 0.161 0.000 1.280 5 Q HN 0.495 nan 8.270 nan 0.000 0.441 6 L N 2.461 123.730 121.223 0.077 0.000 2.325 6 L HA 0.356 4.896 4.340 0.333 0.000 0.281 6 L C -0.572 176.303 176.870 0.009 0.000 1.004 6 L CA -0.075 54.795 54.840 0.051 0.000 0.823 6 L CB 1.710 43.796 42.059 0.045 0.000 1.236 6 L HN 0.481 nan 8.230 nan 0.000 0.415 7 Q N 3.207 123.006 119.800 -0.002 0.000 2.381 7 Q HA 0.363 4.903 4.340 0.333 0.000 0.263 7 Q C -0.350 175.636 176.000 -0.023 0.000 1.030 7 Q CA -0.574 55.213 55.803 -0.026 0.000 0.772 7 Q CB 0.922 29.632 28.738 -0.047 0.000 1.232 7 Q HN 0.616 nan 8.270 nan 0.000 0.476 8 N N -0.498 118.184 118.700 -0.029 0.000 2.721 8 N HA -0.179 4.760 4.740 0.333 0.000 0.249 8 N C -0.693 174.798 175.510 -0.032 0.000 1.072 8 N CA 0.328 53.359 53.050 -0.032 0.000 0.710 8 N CB -1.099 37.370 38.487 -0.030 0.000 0.993 8 N HN 0.286 nan 8.380 nan 0.000 0.547 9 V N 0.151 120.047 119.914 -0.029 0.000 2.655 9 V HA 0.281 4.601 4.120 0.333 0.000 0.300 9 V C 0.968 177.034 176.094 -0.047 0.000 1.044 9 V CA 0.468 62.750 62.300 -0.030 0.000 1.095 9 V CB 1.462 33.276 31.823 -0.015 0.000 0.952 9 V HN 0.287 nan 8.190 nan 0.000 0.485 10 T N 4.745 119.264 114.554 -0.058 0.000 2.933 10 T HA 0.517 5.067 4.350 0.333 0.000 0.305 10 T C -0.910 173.725 174.700 -0.108 0.000 1.092 10 T CA -0.808 61.247 62.100 -0.075 0.000 1.008 10 T CB 1.847 70.673 68.868 -0.069 0.000 1.102 10 T HN 0.616 nan 8.240 nan 0.000 0.469 11 K N 1.659 121.981 120.400 -0.130 0.000 2.397 11 K HA 0.845 5.365 4.320 0.333 0.000 0.253 11 K C -1.534 174.910 176.600 -0.260 0.000 0.932 11 K CA -0.618 55.531 56.287 -0.230 0.000 0.795 11 K CB 1.594 33.966 32.500 -0.214 0.000 1.159 11 K HN 0.752 nan 8.250 nan 0.000 0.424 12 A N 3.942 126.535 122.820 -0.378 0.000 2.374 12 A HA 0.618 5.137 4.320 0.333 0.000 0.305 12 A C -1.807 175.546 177.584 -0.385 0.000 1.053 12 A CA -0.714 51.160 52.037 -0.272 0.000 0.726 12 A CB 0.546 19.460 19.000 -0.144 0.000 1.229 12 A HN 0.749 nan 8.150 nan 0.000 0.431 13 W N 3.094 124.386 121.300 -0.013 0.000 2.347 13 W HA 0.507 5.367 4.660 0.332 0.000 0.321 13 W C 0.995 177.507 176.519 -0.012 0.000 0.971 13 W CA 0.816 58.154 57.345 -0.012 0.000 1.508 13 W CB 1.387 30.839 29.460 -0.013 0.000 1.299 13 W HN 1.553 nan 8.180 nan 0.000 0.399 14 G N 2.204 111.100 108.800 0.160 0.000 2.866 14 G HA2 -0.387 3.772 3.960 0.333 0.000 0.274 14 G HA3 -0.387 3.772 3.960 0.333 0.000 0.274 14 G C 0.910 175.842 174.900 0.053 0.000 1.413 14 G CA 0.661 45.820 45.100 0.098 0.000 0.997 14 G HN 0.570 nan 8.290 nan 0.000 0.559 15 E N 0.098 120.330 120.200 0.053 0.000 2.562 15 E HA 0.451 5.001 4.350 0.333 0.000 0.214 15 E C 1.115 177.733 176.600 0.031 0.000 0.979 15 E CA 0.412 56.829 56.400 0.028 0.000 1.002 15 E CB 0.663 30.375 29.700 0.020 0.000 1.048 15 E HN 1.365 nan 8.360 nan 0.000 0.488 16 V N -0.246 119.704 119.914 0.060 0.000 2.743 16 V HA 0.488 4.808 4.120 0.333 0.000 0.301 16 V C -0.072 176.054 176.094 0.055 0.000 1.057 16 V CA -0.777 61.559 62.300 0.061 0.000 1.006 16 V CB 1.767 33.644 31.823 0.090 0.000 1.024 16 V HN -0.010 nan 8.190 nan 0.000 0.473 17 V N 5.517 125.449 119.914 0.030 0.000 2.350 17 V HA 0.292 4.612 4.120 0.333 0.000 0.285 17 V C 0.914 177.022 176.094 0.024 0.000 1.014 17 V CA 0.224 62.527 62.300 0.005 0.000 0.831 17 V CB 1.046 32.855 31.823 -0.023 0.000 1.000 17 V HN 1.039 nan 8.190 nan 0.000 0.433 18 V N 1.623 121.570 119.914 0.055 0.000 2.878 18 V HA 0.242 4.561 4.120 0.333 0.000 0.250 18 V C 0.750 176.855 176.094 0.017 0.000 1.075 18 V CA 0.774 63.120 62.300 0.078 0.000 1.096 18 V CB 0.394 32.339 31.823 0.203 0.000 0.724 18 V HN 0.637 nan 8.190 nan 0.000 0.467 19 S N 1.183 116.873 115.700 -0.017 0.000 2.707 19 S HA 0.561 5.231 4.470 0.333 0.000 0.303 19 S C -0.730 173.834 174.600 -0.059 0.000 1.132 19 S CA -0.731 57.442 58.200 -0.044 0.000 1.046 19 S CB 1.303 64.477 63.200 -0.042 0.000 1.004 19 S HN 0.573 nan 8.310 nan 0.000 0.483 20 K N 1.833 122.194 120.400 -0.066 0.000 2.316 20 K HA 0.288 4.808 4.320 0.333 0.000 0.267 20 K C -0.643 175.918 176.600 -0.064 0.000 1.025 20 K CA -0.715 55.534 56.287 -0.063 0.000 0.896 20 K CB 0.887 33.349 32.500 -0.063 0.000 1.124 20 K HN 0.668 nan 8.250 nan 0.000 0.451 21 D N 3.082 123.448 120.400 -0.056 0.000 2.779 21 D HA -0.196 4.644 4.640 0.333 0.000 0.223 21 D C -0.023 176.244 176.300 -0.056 0.000 1.227 21 D CA 0.331 54.301 54.000 -0.051 0.000 0.653 21 D CB -0.390 40.384 40.800 -0.044 0.000 0.973 21 D HN 0.594 nan 8.370 nan 0.000 0.402 22 I N -1.255 119.278 120.570 -0.063 0.000 2.441 22 I HA 0.349 4.719 4.170 0.333 0.000 0.287 22 I C -0.705 175.378 176.117 -0.056 0.000 1.049 22 I CA -0.283 60.972 61.300 -0.075 0.000 1.381 22 I CB 1.057 38.993 38.000 -0.108 0.000 1.409 22 I HN 0.035 nan 8.210 nan 0.000 0.523 23 N N 7.360 126.028 118.700 -0.053 0.000 2.483 23 N HA 0.540 5.479 4.740 0.333 0.000 0.267 23 N C -1.325 174.166 175.510 -0.032 0.000 0.998 23 N CA -0.439 52.590 53.050 -0.035 0.000 0.918 23 N CB 2.271 40.741 38.487 -0.029 0.000 1.215 23 N HN 0.483 nan 8.380 nan 0.000 0.500 24 L N 1.561 122.775 121.223 -0.015 0.000 2.431 24 L HA 0.378 4.918 4.340 0.333 0.000 0.266 24 L C -0.552 176.326 176.870 0.013 0.000 0.978 24 L CA -0.547 54.294 54.840 0.001 0.000 0.822 24 L CB 2.023 44.094 42.059 0.019 0.000 1.310 24 L HN 0.356 nan 8.230 nan 0.000 0.409 25 D N 3.458 123.847 120.400 -0.017 0.000 2.446 25 D HA 0.406 5.246 4.640 0.333 0.000 0.251 25 D C -0.867 175.297 176.300 -0.227 0.000 1.137 25 D CA -0.132 53.834 54.000 -0.057 0.000 0.890 25 D CB 0.539 41.328 40.800 -0.019 0.000 1.071 25 D HN 0.325 nan 8.370 nan 0.000 0.528 26 I N 4.783 125.286 120.570 -0.111 0.000 2.304 26 I HA 0.178 4.548 4.170 0.333 0.000 0.291 26 I C 0.666 176.735 176.117 -0.081 0.000 1.018 26 I CA -0.708 60.519 61.300 -0.123 0.000 1.260 26 I CB 0.781 38.804 38.000 0.038 0.000 1.390 26 I HN 0.258 nan 8.210 nan 0.000 0.475 27 H N 5.021 124.160 119.070 0.116 0.000 2.546 27 H HA 0.282 5.037 4.556 0.333 0.000 0.365 27 H C 0.101 175.489 175.328 0.100 0.000 1.220 27 H CA -0.601 55.509 56.048 0.104 0.000 1.386 27 H CB 0.701 30.520 29.762 0.095 0.000 1.510 27 H HN 0.449 nan 8.280 nan 0.000 0.591 28 E N 0.478 120.816 120.200 0.229 0.000 2.529 28 E HA 0.003 4.552 4.350 0.333 0.000 0.259 28 E C 1.094 177.781 176.600 0.145 0.000 0.966 28 E CA 1.003 57.490 56.400 0.145 0.000 0.937 28 E CB 0.482 30.244 29.700 0.103 0.000 0.923 28 E HN 0.934 nan 8.360 nan 0.000 0.468 29 G N 3.688 112.565 108.800 0.127 0.000 2.220 29 G HA2 -0.363 3.797 3.960 0.333 0.000 0.269 29 G HA3 -0.363 3.797 3.960 0.333 0.000 0.269 29 G C 0.428 175.487 174.900 0.265 0.000 0.977 29 G CA 0.780 45.968 45.100 0.147 0.000 0.634 29 G HN 0.556 nan 8.290 nan 0.000 0.539 30 E N -0.389 119.951 120.200 0.234 0.000 2.392 30 E HA 0.419 4.969 4.350 0.333 0.000 0.264 30 E C -0.658 176.081 176.600 0.232 0.000 1.024 30 E CA -0.741 55.810 56.400 0.252 0.000 0.903 30 E CB 0.195 30.009 29.700 0.191 0.000 0.963 30 E HN 0.125 nan 8.360 nan 0.000 0.432 31 F N 5.160 125.125 119.950 0.025 0.000 2.332 31 F HA 0.293 5.021 4.527 0.335 0.000 0.368 31 F C -0.993 174.764 175.800 -0.071 0.000 1.110 31 F CA -0.813 57.072 58.000 -0.191 0.000 1.087 31 F CB 0.549 39.185 39.000 -0.607 0.000 1.235 31 F HN 0.078 nan 8.300 nan 0.000 0.470 32 V N 6.483 126.580 119.914 0.305 0.000 2.483 32 V HA 0.542 4.862 4.120 0.333 0.000 0.295 32 V C -0.577 175.674 176.094 0.261 0.000 1.035 32 V CA -0.809 61.643 62.300 0.253 0.000 0.896 32 V CB 1.843 33.773 31.823 0.179 0.000 0.986 32 V HN 0.431 nan 8.190 nan 0.000 0.447 33 V N 4.977 125.060 119.914 0.283 0.000 2.448 33 V HA 0.483 4.803 4.120 0.333 0.000 0.295 33 V C -0.479 175.886 176.094 0.452 0.000 1.025 33 V CA -0.521 61.959 62.300 0.300 0.000 0.859 33 V CB 1.766 33.729 31.823 0.233 0.000 0.988 33 V HN 0.670 nan 8.190 nan 0.000 0.431 34 F N 4.048 124.100 119.950 0.170 0.000 2.411 34 F HA 0.591 5.317 4.527 0.332 0.000 0.355 34 F C 0.020 175.902 175.800 0.136 0.000 1.117 34 F CA -0.915 57.156 58.000 0.118 0.000 1.139 34 F CB 1.692 40.744 39.000 0.086 0.000 1.120 34 F HN 0.220 nan 8.300 nan 0.000 0.493 35 V N 2.197 122.287 119.914 0.293 0.000 2.680 35 V HA 0.974 5.294 4.120 0.333 0.000 0.309 35 V C 0.020 176.151 176.094 0.063 0.000 1.052 35 V CA -0.706 61.747 62.300 0.255 0.000 0.908 35 V CB 1.461 33.493 31.823 0.349 0.000 1.001 35 V HN 0.961 nan 8.190 nan 0.000 0.431 36 G N 3.316 112.174 108.800 0.097 0.000 2.368 36 G HA2 0.580 4.739 3.960 0.333 0.000 0.293 36 G HA3 0.580 4.739 3.960 0.333 0.000 0.293 36 G C -3.505 171.509 174.900 0.191 0.000 1.467 36 G CA -0.757 44.270 45.100 -0.121 0.000 0.804 36 G HN 0.546 nan 8.290 nan 0.000 0.535 37 P HA 0.178 nan 4.420 nan 0.000 0.273 37 P C 1.443 178.847 177.300 0.174 0.000 1.250 37 P CA 0.737 64.011 63.100 0.291 0.000 0.793 37 P CB 1.033 32.907 31.700 0.290 0.000 1.011 38 S N 1.258 117.032 115.700 0.122 0.000 1.736 38 S HA -0.263 4.407 4.470 0.333 0.000 0.536 38 S C 1.527 176.167 174.600 0.068 0.000 0.915 38 S CA 1.572 59.810 58.200 0.064 0.000 3.375 38 S CB -2.381 60.836 63.200 0.028 0.000 2.348 38 S HN 0.778 nan 8.310 nan 0.000 0.574 39 G N 0.367 109.192 108.800 0.041 0.000 3.717 39 G HA2 0.364 4.524 3.960 0.333 0.000 0.258 39 G HA3 0.364 4.524 3.960 0.333 0.000 0.258 39 G C 0.947 175.863 174.900 0.028 0.000 1.088 39 G CA 0.085 45.203 45.100 0.031 0.000 1.737 39 G HN 1.185 nan 8.290 nan 0.000 0.648 40 C N -1.520 117.801 119.300 0.035 0.000 2.522 40 C HA 0.498 5.158 4.460 0.333 0.000 0.271 40 C C 1.955 176.944 174.990 -0.001 0.000 1.425 40 C CA 0.127 59.144 59.018 -0.001 0.000 1.751 40 C CB -0.732 27.000 27.740 -0.014 0.000 1.775 40 C HN 1.149 nan 8.230 nan 0.000 0.557 41 G N 0.594 109.415 108.800 0.036 0.000 2.154 41 G HA2 -0.186 3.974 3.960 0.333 0.000 0.186 41 G HA3 -0.186 3.974 3.960 0.333 0.000 0.186 41 G C 0.744 175.693 174.900 0.081 0.000 1.000 41 G CA 0.267 45.398 45.100 0.051 0.000 0.664 41 G HN 0.540 nan 8.290 nan 0.000 0.513 42 K N 0.688 121.154 120.400 0.110 0.000 2.009 42 K HA -0.042 4.478 4.320 0.333 0.000 0.210 42 K C 2.630 179.342 176.600 0.185 0.000 1.049 42 K CA 1.780 58.184 56.287 0.195 0.000 0.929 42 K CB -0.286 32.332 32.500 0.197 0.000 0.714 42 K HN 0.298 nan 8.250 nan 0.000 0.440 43 S N 0.596 116.364 115.700 0.114 0.000 2.368 43 S HA -0.137 4.533 4.470 0.333 0.000 0.225 43 S C 2.083 176.744 174.600 0.102 0.000 1.030 43 S CA 1.716 59.964 58.200 0.080 0.000 0.999 43 S CB -0.434 62.783 63.200 0.028 0.000 0.844 43 S HN 0.333 nan 8.310 nan 0.000 0.459 44 T N 2.931 117.557 114.554 0.120 0.000 2.720 44 T HA -0.045 4.505 4.350 0.333 0.000 0.268 44 T C 1.727 176.508 174.700 0.136 0.000 1.037 44 T CA 1.045 63.235 62.100 0.151 0.000 1.144 44 T CB -0.484 68.497 68.868 0.187 0.000 0.864 44 T HN 0.227 nan 8.240 nan 0.000 0.444 45 L N 0.263 121.576 121.223 0.150 0.000 1.989 45 L HA -0.098 4.441 4.340 0.333 0.000 0.211 45 L C 2.572 179.565 176.870 0.205 0.000 1.071 45 L CA 1.334 56.286 54.840 0.187 0.000 0.749 45 L CB -0.537 41.685 42.059 0.271 0.000 0.890 45 L HN 0.277 nan 8.230 nan 0.000 0.431 46 L N -0.663 120.677 121.223 0.195 0.000 2.013 46 L HA -0.270 4.270 4.340 0.333 0.000 0.212 46 L C 2.917 179.838 176.870 0.085 0.000 1.073 46 L CA 1.453 56.353 54.840 0.100 0.000 0.753 46 L CB -0.528 41.556 42.059 0.041 0.000 0.890 46 L HN 0.295 nan 8.230 nan 0.000 0.432 47 R N -0.541 120.014 120.500 0.092 0.000 2.105 47 R HA -0.179 4.361 4.340 0.333 0.000 0.239 47 R C 2.216 178.563 176.300 0.079 0.000 1.135 47 R CA 1.413 57.564 56.100 0.085 0.000 0.967 47 R CB -0.387 29.969 30.300 0.093 0.000 0.861 47 R HN 0.420 nan 8.270 nan 0.000 0.442 48 M N 0.186 119.835 119.600 0.082 0.000 2.175 48 M HA -0.121 4.559 4.480 0.333 0.000 0.264 48 M C 2.099 178.435 176.300 0.060 0.000 1.063 48 M CA 1.254 56.589 55.300 0.059 0.000 1.119 48 M CB -0.156 32.471 32.600 0.046 0.000 1.377 48 M HN 0.069 nan 8.290 nan 0.000 0.415 49 I N 0.298 120.913 120.570 0.075 0.000 2.315 49 I HA -0.156 4.214 4.170 0.333 0.000 0.248 49 I C 2.602 178.747 176.117 0.047 0.000 1.117 49 I CA 1.325 62.666 61.300 0.068 0.000 1.404 49 I CB -1.540 36.507 38.000 0.078 0.000 1.071 49 I HN 0.190 nan 8.210 nan 0.000 0.419 50 A N -0.053 122.794 122.820 0.046 0.000 2.016 50 A HA 0.242 4.761 4.320 0.333 0.000 0.217 50 A C 1.992 179.601 177.584 0.041 0.000 1.162 50 A CA 1.305 53.365 52.037 0.038 0.000 0.662 50 A CB -0.534 18.495 19.000 0.047 0.000 0.812 50 A HN 0.549 nan 8.150 nan 0.000 0.450 51 G N -1.600 107.227 108.800 0.045 0.000 2.144 51 G HA2 -0.190 3.970 3.960 0.333 0.000 0.218 51 G HA3 -0.190 3.970 3.960 0.333 0.000 0.218 51 G C 0.549 175.478 174.900 0.048 0.000 0.988 51 G CA 0.278 45.403 45.100 0.040 0.000 0.659 51 G HN 0.447 nan 8.290 nan 0.000 0.522 52 L N -0.368 120.891 121.223 0.059 0.000 2.612 52 L HA 0.388 4.927 4.340 0.333 0.000 0.230 52 L C 0.533 177.453 176.870 0.083 0.000 1.140 52 L CA 0.454 55.334 54.840 0.067 0.000 0.896 52 L CB 0.039 42.139 42.059 0.069 0.000 1.065 52 L HN 0.134 nan 8.230 nan 0.000 0.447 53 E N -0.247 120.000 120.200 0.078 0.000 2.392 53 E HA 0.285 4.834 4.350 0.333 0.000 0.279 53 E C -0.712 175.900 176.600 0.021 0.000 0.964 53 E CA -0.301 56.152 56.400 0.088 0.000 0.777 53 E CB 2.173 31.954 29.700 0.134 0.000 1.249 53 E HN -0.074 nan 8.360 nan 0.000 0.449 54 T N -1.262 113.272 114.554 -0.034 0.000 2.922 54 T HA 0.634 5.184 4.350 0.333 0.000 0.285 54 T C 0.498 175.130 174.700 -0.113 0.000 1.005 54 T CA -0.669 61.392 62.100 -0.065 0.000 1.061 54 T CB 0.435 69.257 68.868 -0.076 0.000 1.007 54 T HN 0.227 nan 8.240 nan 0.000 0.502 55 I N 3.249 123.772 120.570 -0.077 0.000 2.281 55 I HA 0.186 4.556 4.170 0.333 0.000 0.293 55 I C 1.962 178.020 176.117 -0.098 0.000 1.085 55 I CA -0.336 60.915 61.300 -0.081 0.000 1.257 55 I CB 0.728 38.706 38.000 -0.036 0.000 1.430 55 I HN 0.999 nan 8.210 nan 0.000 0.489 56 T N 0.932 115.398 114.554 -0.146 0.000 2.946 56 T HA -0.056 4.494 4.350 0.333 0.000 0.271 56 T C 0.692 175.340 174.700 -0.088 0.000 1.104 56 T CA 1.037 63.056 62.100 -0.134 0.000 1.114 56 T CB -0.083 68.679 68.868 -0.177 0.000 0.867 56 T HN 0.601 nan 8.240 nan 0.000 0.513 57 S N -1.492 114.164 115.700 -0.073 0.000 2.580 57 S HA 0.537 5.207 4.470 0.333 0.000 0.281 57 S C -0.255 174.322 174.600 -0.039 0.000 1.129 57 S CA 0.286 58.455 58.200 -0.051 0.000 0.862 57 S CB 0.967 64.136 63.200 -0.052 0.000 1.090 57 S HN 1.812 nan 8.310 nan 0.000 0.451 58 G N 2.625 111.409 108.800 -0.026 0.000 2.661 58 G HA2 0.102 4.262 3.960 0.333 0.000 0.685 58 G HA3 0.102 4.262 3.960 0.333 0.000 0.685 58 G C -1.835 173.064 174.900 -0.002 0.000 1.298 58 G CA -0.237 44.852 45.100 -0.018 0.000 0.855 58 G HN 0.898 nan 8.290 nan 0.000 0.560 59 D N -0.380 120.025 120.400 0.008 0.000 2.481 59 D HA 0.564 5.404 4.640 0.333 0.000 0.244 59 D C -0.504 175.836 176.300 0.067 0.000 1.057 59 D CA -0.459 53.564 54.000 0.038 0.000 0.848 59 D CB 2.606 43.429 40.800 0.039 0.000 1.388 59 D HN 0.508 nan 8.370 nan 0.000 0.475 60 L N 1.577 122.861 121.223 0.102 0.000 2.334 60 L HA 0.661 5.201 4.340 0.333 0.000 0.276 60 L C -1.738 175.274 176.870 0.236 0.000 1.014 60 L CA -0.682 54.240 54.840 0.137 0.000 0.815 60 L CB 1.578 43.691 42.059 0.090 0.000 1.268 60 L HN 0.361 nan 8.230 nan 0.000 0.428 61 F N 5.986 125.953 119.950 0.028 0.000 2.941 61 F HA 0.560 5.287 4.527 0.333 0.000 0.359 61 F C -1.312 174.510 175.800 0.036 0.000 1.231 61 F CA -0.524 57.494 58.000 0.029 0.000 1.089 61 F CB 0.894 39.912 39.000 0.030 0.000 1.407 61 F HN 0.348 nan 8.300 nan 0.000 0.538 62 I N 7.057 127.535 120.570 -0.154 0.000 2.306 62 I HA 0.493 4.862 4.170 0.333 0.000 0.288 62 I C 0.874 176.824 176.117 -0.277 0.000 1.036 62 I CA 0.420 61.643 61.300 -0.127 0.000 1.221 62 I CB 0.820 38.786 38.000 -0.056 0.000 1.385 62 I HN 0.911 nan 8.210 nan 0.000 0.472 63 G N 5.240 113.903 108.800 -0.229 0.000 5.353 63 G HA2 -0.243 3.917 3.960 0.333 0.000 0.283 63 G HA3 -0.243 3.917 3.960 0.333 0.000 0.283 63 G C 0.708 175.356 174.900 -0.419 0.000 1.457 63 G CA 0.222 45.191 45.100 -0.218 0.000 0.951 63 G HN 0.516 nan 8.290 nan 0.000 0.731 64 E N -0.154 119.595 120.200 -0.752 0.000 2.534 64 E HA 0.172 4.722 4.350 0.333 0.000 0.179 64 E C -0.161 175.933 176.600 -0.844 0.000 0.916 64 E CA 0.259 56.135 56.400 -0.873 0.000 1.354 64 E CB 0.761 30.363 29.700 -0.163 0.000 1.321 64 E HN 0.446 nan 8.360 nan 0.000 0.663 65 K N 0.876 120.858 120.400 -0.697 0.000 2.207 65 K HA 0.382 4.902 4.320 0.333 0.000 0.255 65 K C -0.080 176.396 176.600 -0.206 0.000 0.941 65 K CA -0.559 55.548 56.287 -0.299 0.000 0.825 65 K CB 1.842 34.248 32.500 -0.158 0.000 1.119 65 K HN -0.163 nan 8.250 nan 0.000 0.430 66 R N 3.254 123.766 120.500 0.021 0.000 2.345 66 R HA 0.051 4.591 4.340 0.333 0.000 0.331 66 R C 0.272 176.593 176.300 0.036 0.000 1.067 66 R CA 0.090 56.251 56.100 0.102 0.000 0.962 66 R CB 0.273 30.647 30.300 0.125 0.000 0.987 66 R HN 0.571 nan 8.270 nan 0.000 0.451 67 M N 2.767 122.386 119.600 0.032 0.000 2.541 67 M HA -0.019 4.661 4.480 0.333 0.000 0.252 67 M C 0.886 177.202 176.300 0.026 0.000 1.125 67 M CA 0.541 55.851 55.300 0.016 0.000 1.091 67 M CB -0.779 31.827 32.600 0.010 0.000 1.420 67 M HN 0.567 nan 8.290 nan 0.000 0.486 68 N N 1.804 120.526 118.700 0.037 0.000 2.103 68 N HA -0.185 4.755 4.740 0.333 0.000 0.200 68 N C 0.183 175.703 175.510 0.017 0.000 1.016 68 N CA 1.526 54.592 53.050 0.026 0.000 0.890 68 N CB -0.205 38.297 38.487 0.024 0.000 1.075 68 N HN 0.339 nan 8.380 nan 0.000 0.506 69 D N 0.347 120.757 120.400 0.016 0.000 2.518 69 D HA 0.233 5.072 4.640 0.333 0.000 0.230 69 D C -0.650 175.657 176.300 0.012 0.000 1.138 69 D CA 0.317 54.325 54.000 0.012 0.000 0.964 69 D CB 0.431 41.237 40.800 0.011 0.000 1.011 69 D HN 0.076 nan 8.370 nan 0.000 0.517 70 T N 1.951 116.512 114.554 0.013 0.000 3.105 70 T HA 0.272 4.822 4.350 0.333 0.000 0.321 70 T C -2.691 172.018 174.700 0.015 0.000 1.135 70 T CA -1.103 61.004 62.100 0.011 0.000 1.053 70 T CB 2.824 71.696 68.868 0.006 0.000 1.133 70 T HN 0.043 nan 8.240 nan 0.000 0.463 71 P HA 0.173 nan 4.420 nan 0.000 0.265 71 P C -2.243 175.070 177.300 0.022 0.000 1.193 71 P CA -1.039 62.073 63.100 0.020 0.000 0.765 71 P CB 0.549 32.261 31.700 0.020 0.000 0.823 72 P HA -0.254 nan 4.420 nan 0.000 0.218 72 P C 1.415 178.732 177.300 0.029 0.000 1.154 72 P CA 2.491 65.609 63.100 0.031 0.000 0.872 72 P CB -0.385 31.338 31.700 0.039 0.000 0.790 73 A N -0.773 122.065 122.820 0.031 0.000 2.168 73 A HA -0.134 4.386 4.320 0.333 0.000 0.215 73 A C 1.543 179.142 177.584 0.024 0.000 1.152 73 A CA 1.142 53.198 52.037 0.032 0.000 0.716 73 A CB -0.786 18.237 19.000 0.037 0.000 0.794 73 A HN 0.269 nan 8.150 nan 0.000 0.465 74 E N -0.915 119.296 120.200 0.018 0.000 2.499 74 E HA 0.131 4.681 4.350 0.333 0.000 0.199 74 E C 1.089 177.692 176.600 0.005 0.000 1.016 74 E CA -0.258 56.148 56.400 0.011 0.000 0.933 74 E CB 0.324 30.029 29.700 0.009 0.000 1.050 74 E HN 0.495 nan 8.360 nan 0.000 0.462 75 R N -0.156 120.349 120.500 0.008 0.000 2.265 75 R HA 0.110 4.650 4.340 0.333 0.000 0.194 75 R C 1.043 177.343 176.300 0.000 0.000 0.931 75 R CA 0.585 56.686 56.100 0.001 0.000 1.032 75 R CB 0.609 30.914 30.300 0.008 0.000 0.980 75 R HN 0.206 nan 8.270 nan 0.000 0.497 76 G N 1.687 110.492 108.800 0.009 0.000 2.149 76 G HA2 -0.237 3.922 3.960 0.333 0.000 0.235 76 G HA3 -0.237 3.922 3.960 0.333 0.000 0.235 76 G C 0.001 174.916 174.900 0.026 0.000 1.018 76 G CA 0.238 45.346 45.100 0.014 0.000 0.728 76 G HN 0.274 nan 8.290 nan 0.000 0.508 77 V N -2.055 117.874 119.914 0.025 0.000 2.715 77 V HA 1.031 5.351 4.120 0.333 0.000 0.310 77 V C 0.434 176.541 176.094 0.022 0.000 1.054 77 V CA -0.210 62.105 62.300 0.026 0.000 0.928 77 V CB 2.166 33.992 31.823 0.006 0.000 1.007 77 V HN 1.413 nan 8.190 nan 0.000 0.437 78 G N 3.596 112.411 108.800 0.024 0.000 2.513 78 G HA2 0.685 4.845 3.960 0.333 0.000 0.317 78 G HA3 0.685 4.845 3.960 0.333 0.000 0.317 78 G C -1.149 173.626 174.900 -0.208 0.000 1.277 78 G CA -0.834 44.259 45.100 -0.011 0.000 0.955 78 G HN 1.118 nan 8.290 nan 0.000 0.484 79 M N 2.889 122.324 119.600 -0.275 0.000 2.327 79 M HA 0.663 5.343 4.480 0.333 0.000 0.298 79 M C -1.589 174.298 176.300 -0.688 0.000 1.065 79 M CA -0.632 54.411 55.300 -0.428 0.000 0.916 79 M CB 2.228 34.697 32.600 -0.218 0.000 1.630 79 M HN 0.265 nan 8.290 nan 0.000 0.442 80 V N 5.611 125.074 119.914 -0.751 0.000 2.604 80 V HA 0.713 5.033 4.120 0.333 0.000 0.305 80 V C -1.331 174.391 176.094 -0.620 0.000 1.043 80 V CA -0.513 61.337 62.300 -0.751 0.000 0.888 80 V CB 1.828 33.370 31.823 -0.468 0.000 0.995 80 V HN 0.782 nan 8.190 nan 0.000 0.429 81 F N 3.785 123.646 119.950 -0.149 0.000 2.839 81 F HA 0.400 5.126 4.527 0.332 0.000 0.344 81 F C 0.168 175.901 175.800 -0.111 0.000 1.242 81 F CA -1.527 56.388 58.000 -0.142 0.000 1.091 81 F CB 1.105 40.031 39.000 -0.124 0.000 1.374 81 F HN 0.585 nan 8.300 nan 0.000 0.553 82 Q N 0.984 120.814 119.800 0.051 0.000 2.350 82 Q HA -0.282 4.258 4.340 0.333 0.000 0.368 82 Q C -0.420 175.590 176.000 0.016 0.000 1.287 82 Q CA 1.534 57.318 55.803 -0.031 0.000 1.157 82 Q CB -1.559 27.160 28.738 -0.031 0.000 1.372 82 Q HN 1.069 nan 8.270 nan 0.000 0.362 83 S N 0.483 116.213 115.700 0.051 0.000 2.589 83 S HA 0.194 4.863 4.470 0.333 0.000 0.210 83 S C -0.194 174.547 174.600 0.235 0.000 0.803 83 S CA -0.569 57.729 58.200 0.163 0.000 1.061 83 S CB -0.458 62.859 63.200 0.195 0.000 1.637 83 S HN 0.458 nan 8.310 nan 0.000 0.462 84 Y N 1.118 121.421 120.300 0.006 0.000 2.650 84 Y HA 0.590 5.341 4.550 0.334 0.000 0.331 84 Y C 0.002 175.899 175.900 -0.004 0.000 1.165 84 Y CA -0.345 57.752 58.100 -0.006 0.000 1.473 84 Y CB 0.076 38.539 38.460 0.006 0.000 1.224 84 Y HN 0.387 nan 8.280 nan 0.000 0.533 85 A N 5.249 128.111 122.820 0.070 0.000 2.475 85 A HA 0.760 5.280 4.320 0.333 0.000 0.301 85 A C -1.307 176.271 177.584 -0.011 0.000 1.059 85 A CA -0.836 51.184 52.037 -0.028 0.000 0.710 85 A CB 1.665 20.648 19.000 -0.029 0.000 1.288 85 A HN 0.738 nan 8.150 nan 0.000 0.408 86 L N -0.364 120.854 121.223 -0.009 0.000 2.931 86 L HA 0.641 5.181 4.340 0.333 0.000 0.237 86 L C -1.013 175.949 176.870 0.154 0.000 1.986 86 L CA -0.414 54.492 54.840 0.109 0.000 2.186 86 L CB 0.023 42.131 42.059 0.081 0.000 2.326 86 L HN 0.631 nan 8.230 nan 0.000 0.575 87 Y N 1.135 121.482 120.300 0.078 0.000 2.409 87 Y HA 0.387 5.137 4.550 0.333 0.000 0.343 87 Y C -1.706 174.264 175.900 0.116 0.000 0.973 87 Y CA -1.756 56.432 58.100 0.146 0.000 1.064 87 Y CB 1.665 40.251 38.460 0.210 0.000 1.207 87 Y HN 0.291 nan 8.280 nan 0.000 0.452 88 P HA -0.174 nan 4.420 nan 0.000 0.223 88 P C 0.247 177.517 177.300 -0.049 0.000 1.144 88 P CA 1.749 64.827 63.100 -0.035 0.000 0.783 88 P CB 0.284 31.883 31.700 -0.167 0.000 0.771 89 H N -0.961 118.192 119.070 0.138 0.000 2.551 89 H HA 0.101 4.857 4.556 0.333 0.000 0.266 89 H C 1.158 176.532 175.328 0.076 0.000 0.977 89 H CA -0.268 55.840 56.048 0.100 0.000 1.163 89 H CB -0.542 29.287 29.762 0.111 0.000 1.381 89 H HN -0.152 nan 8.280 nan 0.000 0.581 90 L N -0.105 121.242 121.223 0.206 0.000 7.103 90 L HA -0.327 4.213 4.340 0.333 0.000 0.158 90 L C 0.679 177.610 176.870 0.102 0.000 1.238 90 L CA 1.487 56.403 54.840 0.127 0.000 1.517 90 L CB -1.819 40.279 42.059 0.064 0.000 2.647 90 L HN 0.569 nan 8.230 nan 0.000 1.080 91 S N -3.086 112.649 115.700 0.058 0.000 2.918 91 S HA -0.032 4.638 4.470 0.333 0.000 0.837 91 S C 0.803 175.417 174.600 0.023 0.000 0.719 91 S CA 0.704 58.923 58.200 0.032 0.000 1.551 91 S CB -0.722 62.494 63.200 0.027 0.000 1.093 91 S HN 1.095 nan 8.310 nan 0.000 0.622 92 V N 5.464 125.384 119.914 0.009 0.000 2.233 92 V HA -0.349 3.971 4.120 0.333 0.000 0.252 92 V C 2.901 178.993 176.094 -0.003 0.000 1.063 92 V CA 3.157 65.458 62.300 0.001 0.000 1.032 92 V CB -1.635 30.176 31.823 -0.019 0.000 0.645 92 V HN 1.291 nan 8.190 nan 0.000 0.446 93 A N -0.733 122.080 122.820 -0.011 0.000 1.877 93 A HA -0.270 4.250 4.320 0.333 0.000 0.216 93 A C 2.186 179.755 177.584 -0.025 0.000 1.186 93 A CA 2.075 54.102 52.037 -0.017 0.000 0.620 93 A CB -0.581 18.408 19.000 -0.018 0.000 0.822 93 A HN 0.663 nan 8.150 nan 0.000 0.443 94 E N 0.167 120.350 120.200 -0.029 0.000 2.058 94 E HA -0.139 4.410 4.350 0.333 0.000 0.194 94 E C 0.884 177.443 176.600 -0.068 0.000 0.997 94 E CA 0.732 57.097 56.400 -0.059 0.000 0.801 94 E CB -0.165 29.501 29.700 -0.056 0.000 0.746 94 E HN 0.567 nan 8.360 nan 0.000 0.450 95 N N 0.073 118.762 118.700 -0.018 0.000 2.260 95 N HA -0.037 4.903 4.740 0.333 0.000 0.270 95 N C 0.862 176.385 175.510 0.022 0.000 1.281 95 N CA 0.513 53.576 53.050 0.022 0.000 0.918 95 N CB 0.048 38.580 38.487 0.076 0.000 1.028 95 N HN 0.050 nan 8.380 nan 0.000 0.482 96 M N -1.423 118.211 119.600 0.057 0.000 2.797 96 M HA -0.229 4.451 4.480 0.333 0.000 0.171 96 M C -0.382 175.942 176.300 0.039 0.000 0.647 96 M CA 0.699 56.027 55.300 0.047 0.000 0.598 96 M CB -1.568 31.045 32.600 0.021 0.000 2.180 96 M HN 0.232 nan 8.290 nan 0.000 0.429 97 S N -1.284 114.437 115.700 0.036 0.000 3.025 97 S HA 0.241 4.911 4.470 0.333 0.000 0.251 97 S C 0.188 174.783 174.600 -0.009 0.000 0.954 97 S CA -0.600 57.601 58.200 0.002 0.000 1.092 97 S CB -0.006 63.164 63.200 -0.051 0.000 1.079 97 S HN 0.488 nan 8.310 nan 0.000 0.543 98 F N 2.918 122.839 119.950 -0.049 0.000 2.202 98 F HA -0.014 4.713 4.527 0.334 0.000 0.301 98 F C 1.908 177.695 175.800 -0.021 0.000 1.082 98 F CA 1.877 59.858 58.000 -0.033 0.000 1.313 98 F CB -0.186 38.847 39.000 0.054 0.000 1.024 98 F HN 0.396 nan 8.300 nan 0.000 0.495 99 G N -0.287 108.566 108.800 0.090 0.000 2.570 99 G HA2 -0.021 4.139 3.960 0.333 0.000 0.209 99 G HA3 -0.021 4.139 3.960 0.333 0.000 0.209 99 G C 1.638 176.513 174.900 -0.042 0.000 1.168 99 G CA 0.377 45.491 45.100 0.024 0.000 0.831 99 G HN 0.325 nan 8.290 nan 0.000 0.564 100 L N 0.333 121.544 121.223 -0.020 0.000 1.978 100 L HA -0.197 4.343 4.340 0.333 0.000 0.218 100 L C 2.847 179.677 176.870 -0.066 0.000 1.075 100 L CA 2.015 56.834 54.840 -0.035 0.000 0.767 100 L CB -0.242 41.802 42.059 -0.025 0.000 0.890 100 L HN 0.205 nan 8.230 nan 0.000 0.434 101 K N 0.562 120.905 120.400 -0.096 0.000 1.991 101 K HA -0.172 4.348 4.320 0.333 0.000 0.212 101 K C 1.903 178.427 176.600 -0.126 0.000 1.049 101 K CA 1.631 57.849 56.287 -0.115 0.000 0.932 101 K CB -0.625 31.785 32.500 -0.150 0.000 0.717 101 K HN 0.182 nan 8.250 nan 0.000 0.441 102 L N -0.117 121.001 121.223 -0.175 0.000 2.357 102 L HA -0.146 4.394 4.340 0.333 0.000 0.220 102 L C 1.078 177.885 176.870 -0.106 0.000 1.123 102 L CA 1.030 55.770 54.840 -0.168 0.000 0.782 102 L CB -0.452 41.462 42.059 -0.242 0.000 0.910 102 L HN 0.262 nan 8.230 nan 0.000 0.442 103 A N -0.798 121.973 122.820 -0.083 0.000 2.855 103 A HA 0.540 5.060 4.320 0.333 0.000 0.301 103 A C 1.319 178.877 177.584 -0.043 0.000 1.076 103 A CA 0.296 52.301 52.037 -0.053 0.000 1.004 103 A CB -0.143 18.835 19.000 -0.037 0.000 1.152 103 A HN 0.408 nan 8.150 nan 0.000 0.531 104 G N 1.042 109.813 108.800 -0.049 0.000 3.434 104 G HA2 -0.086 4.074 3.960 0.333 0.000 0.343 104 G HA3 -0.086 4.074 3.960 0.333 0.000 0.343 104 G C 1.433 176.311 174.900 -0.036 0.000 1.240 104 G CA 2.372 47.447 45.100 -0.041 0.000 0.996 104 G HN 2.214 nan 8.290 nan 0.000 0.650 105 A N -0.730 122.073 122.820 -0.028 0.000 2.799 105 A HA -0.109 4.411 4.320 0.333 0.000 0.274 105 A C 0.958 178.528 177.584 -0.023 0.000 1.393 105 A CA 2.908 54.931 52.037 -0.023 0.000 0.909 105 A CB -1.864 17.122 19.000 -0.023 0.000 1.012 105 A HN 2.176 nan 8.150 nan 0.000 0.653 106 K N -4.302 116.083 120.400 -0.025 0.000 0.841 106 K HA -0.222 4.298 4.320 0.333 0.000 0.809 106 K C 0.464 177.049 176.600 -0.026 0.000 2.059 106 K CA 1.535 57.807 56.287 -0.023 0.000 1.442 106 K CB -0.623 31.866 32.500 -0.019 0.000 2.678 106 K HN 0.505 nan 8.250 nan 0.000 0.259 107 K N 0.530 120.916 120.400 -0.024 0.000 2.491 107 K HA 0.052 4.572 4.320 0.333 0.000 0.211 107 K C 0.827 177.414 176.600 -0.022 0.000 1.210 107 K CA 0.209 56.480 56.287 -0.027 0.000 1.003 107 K CB 0.466 32.950 32.500 -0.027 0.000 1.009 107 K HN 0.325 nan 8.250 nan 0.000 0.577 108 E N 0.312 120.501 120.200 -0.019 0.000 2.216 108 E HA -0.019 4.531 4.350 0.333 0.000 0.192 108 E C 1.651 178.241 176.600 -0.016 0.000 0.973 108 E CA 0.500 56.891 56.400 -0.016 0.000 0.851 108 E CB 0.240 29.931 29.700 -0.014 0.000 0.804 108 E HN -0.082 nan 8.360 nan 0.000 0.477 109 V N 1.810 121.714 119.914 -0.017 0.000 2.346 109 V HA -0.162 4.158 4.120 0.333 0.000 0.244 109 V C 2.294 178.377 176.094 -0.018 0.000 1.037 109 V CA 1.570 63.861 62.300 -0.016 0.000 1.029 109 V CB -0.573 31.240 31.823 -0.016 0.000 0.663 109 V HN 0.373 nan 8.190 nan 0.000 0.454 110 I N -1.109 119.448 120.570 -0.022 0.000 2.567 110 I HA -0.204 4.166 4.170 0.333 0.000 0.257 110 I C 1.887 177.991 176.117 -0.022 0.000 1.184 110 I CA 1.979 63.264 61.300 -0.024 0.000 1.451 110 I CB -0.741 37.239 38.000 -0.033 0.000 1.089 110 I HN 0.326 nan 8.210 nan 0.000 0.441 111 N N 0.336 119.024 118.700 -0.020 0.000 2.251 111 N HA -0.099 4.841 4.740 0.333 0.000 0.181 111 N C 1.861 177.362 175.510 -0.014 0.000 1.019 111 N CA 0.534 53.574 53.050 -0.017 0.000 0.862 111 N CB -0.014 38.463 38.487 -0.016 0.000 0.992 111 N HN 0.376 nan 8.380 nan 0.000 0.429 112 Q N 0.944 120.736 119.800 -0.013 0.000 2.119 112 Q HA -0.009 4.531 4.340 0.333 0.000 0.201 112 Q C 1.976 177.968 176.000 -0.013 0.000 0.972 112 Q CA 1.017 56.813 55.803 -0.012 0.000 0.847 112 Q CB 0.034 28.765 28.738 -0.012 0.000 0.903 112 Q HN 0.314 nan 8.270 nan 0.000 0.433 113 R N -0.137 120.355 120.500 -0.014 0.000 2.061 113 R HA -0.045 4.495 4.340 0.333 0.000 0.230 113 R C 2.400 178.691 176.300 -0.014 0.000 1.140 113 R CA 1.020 57.111 56.100 -0.015 0.000 0.940 113 R CB -1.106 29.185 30.300 -0.014 0.000 0.839 113 R HN 0.127 nan 8.270 nan 0.000 0.429 114 V N 1.729 121.636 119.914 -0.013 0.000 2.392 114 V HA -0.226 4.094 4.120 0.333 0.000 0.249 114 V C 1.940 178.027 176.094 -0.011 0.000 1.059 114 V CA 1.809 64.102 62.300 -0.012 0.000 1.051 114 V CB -0.698 31.117 31.823 -0.014 0.000 0.658 114 V HN 0.440 nan 8.190 nan 0.000 0.455 115 N N -0.797 117.896 118.700 -0.010 0.000 2.446 115 N HA -0.137 4.803 4.740 0.333 0.000 0.179 115 N C 1.765 177.272 175.510 -0.005 0.000 1.054 115 N CA 0.172 53.218 53.050 -0.006 0.000 0.905 115 N CB 0.139 38.623 38.487 -0.005 0.000 0.973 115 N HN 0.369 nan 8.380 nan 0.000 0.448 116 Q N 0.133 119.927 119.800 -0.009 0.000 2.425 116 Q HA 0.041 4.581 4.340 0.333 0.000 0.204 116 Q C 1.053 177.045 176.000 -0.014 0.000 0.933 116 Q CA 0.441 56.238 55.803 -0.011 0.000 0.939 116 Q CB 0.620 29.349 28.738 -0.015 0.000 1.044 116 Q HN 0.294 nan 8.270 nan 0.000 0.513 117 V N -4.067 115.838 119.914 -0.014 0.000 3.380 117 V HA 0.595 4.915 4.120 0.333 0.000 0.307 117 V C 1.062 177.151 176.094 -0.008 0.000 1.434 117 V CA 0.351 62.641 62.300 -0.017 0.000 1.075 117 V CB -0.086 31.723 31.823 -0.023 0.000 0.954 117 V HN 0.159 nan 8.190 nan 0.000 0.444 118 A N 0.862 123.679 122.820 -0.004 0.000 2.478 118 A HA 0.138 4.658 4.320 0.333 0.000 0.210 118 A C 1.984 179.581 177.584 0.020 0.000 1.728 118 A CA 0.979 53.014 52.037 -0.005 0.000 0.622 118 A CB -0.694 18.303 19.000 -0.005 0.000 1.231 118 A HN 0.317 nan 8.150 nan 0.000 0.497 119 E N 0.400 120.627 120.200 0.045 0.000 2.267 119 E HA -0.099 4.451 4.350 0.333 0.000 0.197 119 E C 0.301 176.934 176.600 0.055 0.000 0.998 119 E CA 0.963 57.413 56.400 0.083 0.000 0.830 119 E CB -0.225 29.516 29.700 0.069 0.000 0.751 119 E HN 0.191 nan 8.360 nan 0.000 0.491 120 V N 2.317 122.248 119.914 0.028 0.000 2.056 120 V HA 0.158 4.478 4.120 0.333 0.000 0.267 120 V C 0.950 177.051 176.094 0.011 0.000 1.535 120 V CA 0.190 62.498 62.300 0.014 0.000 1.475 120 V CB -0.143 31.680 31.823 -0.000 0.000 1.441 120 V HN 0.277 nan 8.190 nan 0.000 0.500 121 L N 0.858 122.097 121.223 0.028 0.000 1.954 121 L HA 0.006 4.546 4.340 0.333 0.000 0.514 121 L C 0.655 177.556 176.870 0.052 0.000 0.779 121 L CA 0.090 54.947 54.840 0.028 0.000 1.880 121 L CB -0.269 41.797 42.059 0.011 0.000 1.386 121 L HN 0.537 nan 8.230 nan 0.000 0.379 122 Q N 1.322 121.173 119.800 0.085 0.000 2.452 122 Q HA -0.190 4.350 4.340 0.333 0.000 0.318 122 Q C -0.273 175.792 176.000 0.109 0.000 1.386 122 Q CA 1.436 57.344 55.803 0.174 0.000 0.872 122 Q CB -1.099 27.726 28.738 0.144 0.000 1.151 122 Q HN 0.724 nan 8.270 nan 0.000 0.417 123 L N -2.026 119.191 121.223 -0.009 0.000 3.521 123 L HA 0.250 4.790 4.340 0.333 0.000 0.323 123 L C 1.491 178.226 176.870 -0.225 0.000 1.268 123 L CA 0.531 55.242 54.840 -0.216 0.000 1.064 123 L CB 0.192 42.193 42.059 -0.096 0.000 1.455 123 L HN 0.213 nan 8.230 nan 0.000 0.622 124 A N 0.133 122.916 122.820 -0.061 0.000 1.968 124 A HA -0.147 4.373 4.320 0.333 0.000 0.217 124 A C 1.871 179.466 177.584 0.018 0.000 1.169 124 A CA 1.287 53.334 52.037 0.018 0.000 0.638 124 A CB -0.567 18.492 19.000 0.099 0.000 0.812 124 A HN 0.599 nan 8.150 nan 0.000 0.446 125 H N -1.042 118.032 119.070 0.007 0.000 2.543 125 H HA 0.318 5.073 4.556 0.333 0.000 0.269 125 H C 0.693 176.026 175.328 0.009 0.000 1.005 125 H CA 0.490 56.542 56.048 0.007 0.000 1.146 125 H CB -0.402 29.365 29.762 0.008 0.000 1.353 125 H HN 0.475 nan 8.280 nan 0.000 0.595 126 L N -0.075 120.996 121.223 -0.254 0.000 3.520 126 L HA 0.081 4.621 4.340 0.333 0.000 0.323 126 L C 1.545 178.354 176.870 -0.101 0.000 1.246 126 L CA -0.134 54.606 54.840 -0.167 0.000 1.085 126 L CB 0.397 42.315 42.059 -0.236 0.000 1.477 126 L HN 0.012 nan 8.230 nan 0.000 0.624 127 L N 0.783 121.955 121.223 -0.085 0.000 2.051 127 L HA -0.177 4.362 4.340 0.333 0.000 0.214 127 L C 1.289 178.142 176.870 -0.028 0.000 1.076 127 L CA 2.008 56.820 54.840 -0.048 0.000 0.758 127 L CB -0.217 41.825 42.059 -0.030 0.000 0.890 127 L HN 0.242 nan 8.230 nan 0.000 0.433 128 D N -0.946 119.442 120.400 -0.020 0.000 2.561 128 D HA 0.090 4.930 4.640 0.333 0.000 0.232 128 D C 0.008 176.304 176.300 -0.006 0.000 1.198 128 D CA -0.032 53.962 54.000 -0.009 0.000 0.826 128 D CB 0.143 40.942 40.800 -0.003 0.000 0.992 128 D HN 0.089 nan 8.370 nan 0.000 0.490 129 R N 0.671 121.162 120.500 -0.014 0.000 2.664 129 R HA 0.387 4.927 4.340 0.333 0.000 0.286 129 R C -0.640 175.657 176.300 -0.004 0.000 0.967 129 R CA -0.480 55.614 56.100 -0.010 0.000 0.933 129 R CB 0.855 31.142 30.300 -0.021 0.000 1.146 129 R HN -0.342 nan 8.270 nan 0.000 0.468 130 K N 3.378 123.779 120.400 0.003 0.000 2.139 130 K HA 0.397 4.917 4.320 0.333 0.000 0.243 130 K C -1.909 174.691 176.600 0.000 0.000 0.983 130 K CA -2.105 54.187 56.287 0.008 0.000 0.890 130 K CB 0.860 33.369 32.500 0.015 0.000 1.090 130 K HN 0.420 nan 8.250 nan 0.000 0.445 131 P HA -0.053 nan 4.420 nan 0.000 0.252 131 P C 0.122 177.410 177.300 -0.020 0.000 1.265 131 P CA 0.623 63.712 63.100 -0.019 0.000 0.775 131 P CB 0.467 32.146 31.700 -0.035 0.000 1.128 132 K N 1.059 121.454 120.400 -0.009 0.000 2.366 132 K HA 0.108 4.628 4.320 0.333 0.000 0.198 132 K C 1.254 177.851 176.600 -0.004 0.000 1.044 132 K CA 0.353 56.635 56.287 -0.008 0.000 0.973 132 K CB -0.638 31.861 32.500 -0.002 0.000 0.767 132 K HN -0.027 nan 8.250 nan 0.000 0.475 133 A N 1.193 124.011 122.820 -0.002 0.000 3.202 133 A HA 0.261 4.781 4.320 0.333 0.000 0.258 133 A C 0.758 178.345 177.584 0.004 0.000 1.572 133 A CA -0.232 51.807 52.037 0.003 0.000 1.241 133 A CB -0.845 18.159 19.000 0.006 0.000 1.127 133 A HN 0.333 nan 8.150 nan 0.000 0.648 134 L N 0.744 121.967 121.223 0.001 0.000 3.449 134 L HA -0.497 4.043 4.340 0.333 0.000 0.099 134 L C 1.653 178.528 176.870 0.009 0.000 4.309 134 L CA 3.028 57.870 54.840 0.003 0.000 0.732 134 L CB -1.381 40.686 42.059 0.012 0.000 3.457 134 L HN 1.055 nan 8.230 nan 0.000 0.612 135 S N -1.325 114.388 115.700 0.021 0.000 3.077 135 S HA -0.314 4.355 4.470 0.333 0.000 0.307 135 S C 1.698 176.330 174.600 0.053 0.000 1.291 135 S CA 1.686 59.906 58.200 0.033 0.000 1.069 135 S CB -2.513 60.700 63.200 0.023 0.000 1.218 135 S HN 1.560 nan 8.310 nan 0.000 0.699 136 G N 1.378 110.215 108.800 0.062 0.000 3.081 136 G HA2 -0.409 3.751 3.960 0.333 0.000 0.282 136 G HA3 -0.409 3.751 3.960 0.333 0.000 0.282 136 G C 1.253 176.260 174.900 0.177 0.000 1.102 136 G CA 1.526 46.700 45.100 0.123 0.000 0.851 136 G HN 1.206 nan 8.290 nan 0.000 0.691 137 G N -0.928 107.944 108.800 0.121 0.000 2.453 137 G HA2 0.102 4.262 3.960 0.333 0.000 0.215 137 G HA3 0.102 4.262 3.960 0.333 0.000 0.215 137 G C 1.773 176.739 174.900 0.109 0.000 1.147 137 G CA 1.100 46.268 45.100 0.113 0.000 0.802 137 G HN 0.577 nan 8.290 nan 0.000 0.535 138 Q N -0.051 119.802 119.800 0.088 0.000 2.187 138 Q HA 0.083 4.623 4.340 0.333 0.000 0.199 138 Q C 2.513 178.559 176.000 0.077 0.000 0.957 138 Q CA 0.320 56.163 55.803 0.068 0.000 0.857 138 Q CB -0.029 28.733 28.738 0.039 0.000 0.929 138 Q HN 0.332 nan 8.270 nan 0.000 0.453 139 R N 0.452 121.005 120.500 0.088 0.000 2.328 139 R HA -0.132 4.408 4.340 0.333 0.000 0.207 139 R C 1.911 178.325 176.300 0.190 0.000 1.056 139 R CA 0.803 56.947 56.100 0.072 0.000 1.016 139 R CB 0.072 30.359 30.300 -0.021 0.000 0.872 139 R HN 0.204 nan 8.270 nan 0.000 0.471 140 Q N 0.532 120.482 119.800 0.250 0.000 2.250 140 Q HA -0.013 4.527 4.340 0.333 0.000 0.200 140 Q C 1.544 177.641 176.000 0.161 0.000 0.941 140 Q CA 1.080 57.047 55.803 0.273 0.000 0.872 140 Q CB 0.319 29.160 28.738 0.171 0.000 0.965 140 Q HN -0.001 nan 8.270 nan 0.000 0.480 141 R N -0.579 119.993 120.500 0.120 0.000 2.189 141 R HA -0.022 4.517 4.340 0.333 0.000 0.218 141 R C 2.076 178.418 176.300 0.071 0.000 1.074 141 R CA 1.143 57.296 56.100 0.088 0.000 0.991 141 R CB -0.145 30.194 30.300 0.066 0.000 0.883 141 R HN 0.365 nan 8.270 nan 0.000 0.457 142 V N -3.242 116.714 119.914 0.071 0.000 2.725 142 V HA 0.190 4.510 4.120 0.333 0.000 0.247 142 V C 2.008 178.146 176.094 0.073 0.000 1.058 142 V CA 1.150 63.483 62.300 0.054 0.000 1.080 142 V CB -0.355 31.491 31.823 0.038 0.000 0.713 142 V HN 0.162 nan 8.190 nan 0.000 0.465 143 A N 1.212 124.092 122.820 0.100 0.000 1.877 143 A HA -0.029 4.491 4.320 0.333 0.000 0.216 143 A C 2.204 179.847 177.584 0.099 0.000 1.186 143 A CA 2.089 54.188 52.037 0.103 0.000 0.620 143 A CB -0.579 18.517 19.000 0.159 0.000 0.822 143 A HN 0.458 nan 8.150 nan 0.000 0.443 144 I N 0.093 120.736 120.570 0.122 0.000 2.202 144 I HA -0.174 4.196 4.170 0.333 0.000 0.242 144 I C 2.725 178.905 176.117 0.105 0.000 1.091 144 I CA 1.519 62.920 61.300 0.168 0.000 1.368 144 I CB -2.050 36.050 38.000 0.168 0.000 1.058 144 I HN 0.352 nan 8.210 nan 0.000 0.410 145 G N 0.748 109.584 108.800 0.060 0.000 2.469 145 G HA2 -0.326 3.834 3.960 0.333 0.000 0.220 145 G HA3 -0.326 3.834 3.960 0.333 0.000 0.220 145 G C 1.908 176.827 174.900 0.031 0.000 1.136 145 G CA 1.083 46.196 45.100 0.022 0.000 0.759 145 G HN 0.308 nan 8.290 nan 0.000 0.562 146 R N 0.057 120.591 120.500 0.058 0.000 2.081 146 R HA -0.058 4.481 4.340 0.333 0.000 0.235 146 R C 2.701 179.048 176.300 0.078 0.000 1.131 146 R CA 2.078 58.220 56.100 0.070 0.000 0.960 146 R CB -0.666 29.685 30.300 0.085 0.000 0.856 146 R HN 0.327 nan 8.270 nan 0.000 0.436 147 T N 1.271 115.888 114.554 0.105 0.000 2.788 147 T HA -0.107 4.443 4.350 0.333 0.000 0.268 147 T C 1.786 176.563 174.700 0.128 0.000 1.044 147 T CA 1.427 63.629 62.100 0.169 0.000 1.139 147 T CB -0.182 68.888 68.868 0.336 0.000 0.867 147 T HN 0.140 nan 8.240 nan 0.000 0.454 148 L N 1.575 122.804 121.223 0.009 0.000 1.976 148 L HA -0.085 4.455 4.340 0.333 0.000 0.209 148 L C 2.860 179.700 176.870 -0.049 0.000 1.071 148 L CA 1.301 56.068 54.840 -0.123 0.000 0.746 148 L CB -1.136 40.816 42.059 -0.177 0.000 0.890 148 L HN 0.240 nan 8.230 nan 0.000 0.432 149 V N -1.995 117.908 119.914 -0.018 0.000 2.944 149 V HA -0.221 4.099 4.120 0.333 0.000 0.265 149 V C 2.317 178.417 176.094 0.010 0.000 1.125 149 V CA 1.528 63.824 62.300 -0.006 0.000 1.145 149 V CB -1.367 30.459 31.823 0.005 0.000 0.725 149 V HN 0.372 nan 8.190 nan 0.000 0.510 150 A N -0.534 122.303 122.820 0.028 0.000 2.119 150 A HA 0.036 4.556 4.320 0.333 0.000 0.217 150 A C 1.453 179.053 177.584 0.026 0.000 1.153 150 A CA 1.031 53.094 52.037 0.043 0.000 0.692 150 A CB -0.583 18.460 19.000 0.072 0.000 0.799 150 A HN 0.859 nan 8.150 nan 0.000 0.458 151 E N -1.831 118.372 120.200 0.005 0.000 2.791 151 E HA -0.124 4.426 4.350 0.333 0.000 0.271 151 E C -2.061 174.544 176.600 0.009 0.000 1.044 151 E CA 0.766 57.162 56.400 -0.007 0.000 0.814 151 E CB -1.627 28.070 29.700 -0.005 0.000 1.400 151 E HN 0.623 nan 8.360 nan 0.000 0.423 152 P HA -0.057 nan 4.420 nan 0.000 0.265 152 P C 0.844 178.171 177.300 0.045 0.000 1.187 152 P CA 0.919 64.054 63.100 0.059 0.000 0.766 152 P CB 1.419 33.194 31.700 0.125 0.000 0.820 153 S N 1.958 117.679 115.700 0.036 0.000 2.356 153 S HA -0.028 4.642 4.470 0.333 0.000 0.223 153 S C 1.007 175.634 174.600 0.045 0.000 1.032 153 S CA 0.703 58.919 58.200 0.027 0.000 1.005 153 S CB -0.536 62.672 63.200 0.013 0.000 0.867 153 S HN 0.377 nan 8.310 nan 0.000 0.449 154 V N 0.924 120.876 119.914 0.062 0.000 2.864 154 V HA 0.613 4.933 4.120 0.333 0.000 0.314 154 V C -1.219 174.967 176.094 0.153 0.000 1.073 154 V CA -0.954 61.393 62.300 0.080 0.000 0.956 154 V CB 1.729 33.577 31.823 0.041 0.000 1.023 154 V HN 0.401 nan 8.190 nan 0.000 0.435 155 F N 3.902 123.800 119.950 -0.088 0.000 2.427 155 F HA 0.672 5.398 4.527 0.333 0.000 0.348 155 F C -0.412 175.300 175.800 -0.147 0.000 1.125 155 F CA -0.870 57.062 58.000 -0.114 0.000 0.989 155 F CB 1.059 39.984 39.000 -0.125 0.000 1.165 155 F HN 0.237 nan 8.300 nan 0.000 0.442 156 L N 6.315 127.230 121.223 -0.514 0.000 2.322 156 L HA 0.666 5.206 4.340 0.333 0.000 0.279 156 L C -1.334 175.170 176.870 -0.609 0.000 1.036 156 L CA -1.156 53.419 54.840 -0.441 0.000 0.807 156 L CB 1.635 43.530 42.059 -0.273 0.000 1.226 156 L HN 0.399 nan 8.230 nan 0.000 0.433 157 L N 2.206 123.169 121.223 -0.435 0.000 2.562 157 L HA 0.374 4.914 4.340 0.333 0.000 0.266 157 L C -0.911 175.725 176.870 -0.390 0.000 0.949 157 L CA -0.191 54.388 54.840 -0.436 0.000 0.879 157 L CB 1.844 43.645 42.059 -0.429 0.000 1.278 157 L HN 0.370 nan 8.230 nan 0.000 0.404 158 D N 4.014 124.278 120.400 -0.228 0.000 2.454 158 D HA 0.226 5.066 4.640 0.333 0.000 0.225 158 D C -0.066 176.128 176.300 -0.177 0.000 1.081 158 D CA -0.064 53.844 54.000 -0.154 0.000 0.864 158 D CB 0.928 41.737 40.800 0.014 0.000 1.040 158 D HN 0.624 nan 8.370 nan 0.000 0.517 159 E N 2.571 122.598 120.200 -0.287 0.000 2.199 159 E HA -0.186 4.364 4.350 0.333 0.000 0.208 159 E C -1.571 174.929 176.600 -0.168 0.000 1.310 159 E CA 0.059 56.331 56.400 -0.212 0.000 0.709 159 E CB -0.623 29.032 29.700 -0.075 0.000 1.127 159 E HN 0.552 nan 8.360 nan 0.000 0.354 160 P HA -0.170 nan 4.420 nan 0.000 0.219 160 P C 1.296 178.543 177.300 -0.088 0.000 1.146 160 P CA 1.136 64.151 63.100 -0.141 0.000 0.808 160 P CB 0.062 31.681 31.700 -0.136 0.000 0.779 161 L N -0.763 120.440 121.223 -0.032 0.000 2.591 161 L HA 0.133 4.672 4.340 0.333 0.000 0.228 161 L C 2.679 179.535 176.870 -0.022 0.000 1.133 161 L CA 0.211 55.044 54.840 -0.011 0.000 0.880 161 L CB -0.823 41.268 42.059 0.053 0.000 1.033 161 L HN -0.005 nan 8.230 nan 0.000 0.450 162 S N 1.456 117.138 115.700 -0.029 0.000 2.387 162 S HA -0.213 4.457 4.470 0.333 0.000 0.230 162 S C 1.384 175.985 174.600 0.001 0.000 1.035 162 S CA 1.840 60.043 58.200 0.005 0.000 1.014 162 S CB -0.314 62.896 63.200 0.018 0.000 0.836 162 S HN 0.650 nan 8.310 nan 0.000 0.466 163 N N 0.434 119.111 118.700 -0.038 0.000 2.314 163 N HA 0.252 5.192 4.740 0.333 0.000 0.200 163 N C -0.484 175.012 175.510 -0.024 0.000 1.135 163 N CA -0.153 52.877 53.050 -0.032 0.000 0.835 163 N CB 0.216 38.667 38.487 -0.061 0.000 0.989 163 N HN 0.369 nan 8.380 nan 0.000 0.478 164 L N 0.036 121.247 121.223 -0.019 0.000 2.332 164 L HA 0.415 4.955 4.340 0.333 0.000 0.269 164 L C -0.044 176.834 176.870 0.013 0.000 1.016 164 L CA -1.189 53.649 54.840 -0.003 0.000 0.809 164 L CB 0.833 42.887 42.059 -0.008 0.000 1.280 164 L HN -0.046 nan 8.230 nan 0.000 0.447 165 D N 0.347 120.759 120.400 0.019 0.000 2.362 165 D HA 0.167 5.007 4.640 0.333 0.000 0.242 165 D C 0.855 177.165 176.300 0.016 0.000 1.132 165 D CA 0.042 54.053 54.000 0.018 0.000 0.907 165 D CB 1.562 42.374 40.800 0.020 0.000 1.195 165 D HN 0.656 nan 8.370 nan 0.000 0.429 166 A N 1.986 124.814 122.820 0.014 0.000 1.903 166 A HA -0.248 4.272 4.320 0.333 0.000 0.219 166 A C 2.058 179.648 177.584 0.009 0.000 1.191 166 A CA 2.751 54.794 52.037 0.011 0.000 0.638 166 A CB -0.852 18.152 19.000 0.007 0.000 0.823 166 A HN 0.641 nan 8.150 nan 0.000 0.451 167 A N -0.832 121.993 122.820 0.010 0.000 1.883 167 A HA -0.065 4.455 4.320 0.333 0.000 0.217 167 A C 2.144 179.737 177.584 0.014 0.000 1.186 167 A CA 1.700 53.743 52.037 0.010 0.000 0.624 167 A CB -0.512 18.494 19.000 0.011 0.000 0.822 167 A HN 0.426 nan 8.150 nan 0.000 0.444 168 L N -0.672 120.562 121.223 0.019 0.000 2.027 168 L HA -0.104 4.436 4.340 0.333 0.000 0.206 168 L C 2.594 179.478 176.870 0.023 0.000 1.074 168 L CA 1.935 56.790 54.840 0.025 0.000 0.745 168 L CB -1.152 40.925 42.059 0.030 0.000 0.898 168 L HN 0.508 nan 8.230 nan 0.000 0.433 169 R N -0.663 119.848 120.500 0.018 0.000 2.119 169 R HA -0.183 4.357 4.340 0.333 0.000 0.246 169 R C 2.184 178.493 176.300 0.015 0.000 1.146 169 R CA 1.719 57.831 56.100 0.018 0.000 0.962 169 R CB -0.067 30.243 30.300 0.016 0.000 0.863 169 R HN 0.198 nan 8.270 nan 0.000 0.442 170 V N 0.652 120.570 119.914 0.008 0.000 2.307 170 V HA -0.248 4.072 4.120 0.333 0.000 0.245 170 V C 2.276 178.371 176.094 0.003 0.000 1.045 170 V CA 1.833 64.133 62.300 -0.001 0.000 1.024 170 V CB -0.420 31.400 31.823 -0.005 0.000 0.651 170 V HN 0.435 nan 8.190 nan 0.000 0.449 171 Q N -1.429 118.379 119.800 0.013 0.000 2.119 171 Q HA -0.206 4.334 4.340 0.333 0.000 0.201 171 Q C 2.205 178.222 176.000 0.028 0.000 0.972 171 Q CA 1.574 57.389 55.803 0.019 0.000 0.847 171 Q CB -0.234 28.519 28.738 0.025 0.000 0.903 171 Q HN 0.452 nan 8.270 nan 0.000 0.433 172 M N 0.477 120.098 119.600 0.035 0.000 2.159 172 M HA -0.150 4.530 4.480 0.333 0.000 0.263 172 M C 1.700 178.031 176.300 0.052 0.000 1.063 172 M CA 1.643 56.974 55.300 0.052 0.000 1.110 172 M CB -0.026 32.607 32.600 0.056 0.000 1.374 172 M HN -0.000 nan 8.290 nan 0.000 0.411 173 R N -0.539 119.976 120.500 0.025 0.000 2.080 173 R HA -0.142 4.398 4.340 0.333 0.000 0.236 173 R C 2.023 178.314 176.300 -0.014 0.000 1.137 173 R CA 1.625 57.718 56.100 -0.011 0.000 0.943 173 R CB -0.705 29.566 30.300 -0.048 0.000 0.846 173 R HN 0.307 nan 8.270 nan 0.000 0.431 174 I N 1.151 121.717 120.570 -0.007 0.000 2.208 174 I HA -0.228 4.142 4.170 0.333 0.000 0.245 174 I C 2.140 178.272 176.117 0.026 0.000 1.097 174 I CA 1.479 62.778 61.300 -0.001 0.000 1.363 174 I CB -0.995 37.006 38.000 0.001 0.000 1.051 174 I HN 0.135 nan 8.210 nan 0.000 0.413 175 E N 0.946 121.171 120.200 0.042 0.000 2.051 175 E HA -0.148 4.401 4.350 0.333 0.000 0.192 175 E C 2.199 178.851 176.600 0.087 0.000 0.991 175 E CA 0.984 57.420 56.400 0.061 0.000 0.799 175 E CB -0.227 29.512 29.700 0.067 0.000 0.748 175 E HN 0.270 nan 8.360 nan 0.000 0.449 176 I N 0.418 121.051 120.570 0.106 0.000 2.361 176 I HA -0.176 4.194 4.170 0.333 0.000 0.251 176 I C 2.101 178.337 176.117 0.198 0.000 1.133 176 I CA 1.000 62.403 61.300 0.171 0.000 1.413 176 I CB -1.107 37.019 38.000 0.210 0.000 1.073 176 I HN -0.003 nan 8.210 nan 0.000 0.424 177 S N 0.654 116.415 115.700 0.103 0.000 2.345 177 S HA -0.113 4.557 4.470 0.333 0.000 0.220 177 S C 2.098 176.783 174.600 0.141 0.000 1.031 177 S CA 1.047 59.303 58.200 0.093 0.000 0.996 177 S CB -0.078 63.117 63.200 -0.008 0.000 0.882 177 S HN 0.392 nan 8.310 nan 0.000 0.445 178 R N 0.807 121.360 120.500 0.088 0.000 2.080 178 R HA -0.071 4.469 4.340 0.333 0.000 0.236 178 R C 2.432 178.780 176.300 0.080 0.000 1.137 178 R CA 1.447 57.588 56.100 0.069 0.000 0.943 178 R CB -0.769 29.560 30.300 0.048 0.000 0.846 178 R HN 0.344 nan 8.270 nan 0.000 0.431 179 L N 0.284 121.565 121.223 0.096 0.000 2.051 179 L HA -0.291 4.249 4.340 0.333 0.000 0.214 179 L C 2.498 179.423 176.870 0.093 0.000 1.076 179 L CA 1.957 56.843 54.840 0.077 0.000 0.758 179 L CB -0.312 41.797 42.059 0.084 0.000 0.890 179 L HN 0.279 nan 8.230 nan 0.000 0.433 180 H N -0.188 118.932 119.070 0.083 0.000 2.423 180 H HA -0.129 4.627 4.556 0.333 0.000 0.297 180 H C 2.169 177.542 175.328 0.074 0.000 1.075 180 H CA 1.756 57.869 56.048 0.108 0.000 1.342 180 H CB 0.136 30.083 29.762 0.307 0.000 1.395 180 H HN 0.298 nan 8.280 nan 0.000 0.530 181 K N -0.016 120.380 120.400 -0.008 0.000 2.025 181 K HA -0.076 4.444 4.320 0.333 0.000 0.207 181 K C 2.333 178.879 176.600 -0.090 0.000 1.049 181 K CA 1.027 57.268 56.287 -0.078 0.000 0.933 181 K CB 0.072 32.571 32.500 -0.001 0.000 0.714 181 K HN 0.241 nan 8.250 nan 0.000 0.438 182 R N 0.936 121.407 120.500 -0.048 0.000 2.151 182 R HA -0.122 4.418 4.340 0.333 0.000 0.220 182 R C 0.675 176.930 176.300 -0.076 0.000 1.120 182 R CA 1.073 57.145 56.100 -0.047 0.000 0.882 182 R CB -1.021 29.264 30.300 -0.026 0.000 0.806 182 R HN 0.080 nan 8.270 nan 0.000 0.440 183 L N -0.649 120.525 121.223 -0.082 0.000 2.410 183 L HA 0.340 4.880 4.340 0.333 0.000 0.273 183 L C 0.595 177.378 176.870 -0.145 0.000 1.152 183 L CA 0.207 54.987 54.840 -0.099 0.000 0.855 183 L CB 0.744 42.738 42.059 -0.108 0.000 1.129 183 L HN 0.201 nan 8.230 nan 0.000 0.463 184 G N 3.423 112.143 108.800 -0.133 0.000 4.464 184 G HA2 0.364 4.524 3.960 0.333 0.000 0.297 184 G HA3 0.364 4.524 3.960 0.333 0.000 0.297 184 G C 0.381 175.237 174.900 -0.073 0.000 1.342 184 G CA -0.652 44.345 45.100 -0.173 0.000 1.335 184 G HN 0.636 nan 8.290 nan 0.000 0.609 185 R N -0.191 120.283 120.500 -0.044 0.000 2.553 185 R HA 0.462 5.002 4.340 0.333 0.000 0.263 185 R C -0.002 176.351 176.300 0.087 0.000 1.066 185 R CA -0.489 55.615 56.100 0.006 0.000 1.135 185 R CB 0.658 30.931 30.300 -0.045 0.000 1.148 185 R HN 0.132 nan 8.270 nan 0.000 0.558 186 T N 2.204 116.803 114.554 0.076 0.000 2.884 186 T HA 0.281 4.831 4.350 0.333 0.000 0.298 186 T C -0.008 174.709 174.700 0.028 0.000 0.998 186 T CA 0.300 62.446 62.100 0.078 0.000 1.124 186 T CB 0.321 69.230 68.868 0.069 0.000 0.931 186 T HN 0.274 nan 8.240 nan 0.000 0.531 187 M N 4.324 123.865 119.600 -0.099 0.000 2.267 187 M HA 0.447 5.127 4.480 0.333 0.000 0.289 187 M C -1.287 174.828 176.300 -0.310 0.000 1.043 187 M CA -0.799 54.346 55.300 -0.258 0.000 0.928 187 M CB 2.171 34.376 32.600 -0.659 0.000 1.613 187 M HN 0.258 nan 8.290 nan 0.000 0.450 188 I N 3.404 123.829 120.570 -0.241 0.000 2.354 188 I HA 0.336 4.706 4.170 0.333 0.000 0.286 188 I C -1.086 174.881 176.117 -0.251 0.000 1.007 188 I CA -0.562 60.561 61.300 -0.294 0.000 1.167 188 I CB 0.680 38.438 38.000 -0.404 0.000 1.320 188 I HN 0.665 nan 8.210 nan 0.000 0.458 189 Y N 5.943 126.099 120.300 -0.240 0.000 2.387 189 Y HA 0.636 5.386 4.550 0.333 0.000 0.336 189 Y C -0.602 175.245 175.900 -0.088 0.000 1.067 189 Y CA -0.521 57.528 58.100 -0.086 0.000 1.114 189 Y CB 1.849 40.444 38.460 0.225 0.000 1.208 189 Y HN 0.270 nan 8.280 nan 0.000 0.458 190 V N 5.159 124.993 119.914 -0.132 0.000 2.588 190 V HA 0.606 4.926 4.120 0.333 0.000 0.304 190 V C -0.643 175.454 176.094 0.003 0.000 1.042 190 V CA -0.329 61.979 62.300 0.013 0.000 0.877 190 V CB 1.897 33.706 31.823 -0.023 0.000 0.996 190 V HN 0.971 nan 8.190 nan 0.000 0.425 191 T N 1.989 116.636 114.554 0.154 0.000 2.754 191 T HA 0.464 5.014 4.350 0.333 0.000 0.296 191 T C 0.262 175.044 174.700 0.136 0.000 1.205 191 T CA -0.426 61.712 62.100 0.063 0.000 1.009 191 T CB 1.616 70.556 68.868 0.120 0.000 1.368 191 T HN 0.848 nan 8.240 nan 0.000 0.509 192 H N -1.195 117.999 119.070 0.206 0.000 3.170 192 H HA 0.280 5.035 4.556 0.332 0.000 0.264 192 H C -0.662 174.807 175.328 0.234 0.000 1.113 192 H CA -0.311 55.892 56.048 0.259 0.000 1.194 192 H CB 0.741 30.610 29.762 0.179 0.000 1.553 192 H HN 0.382 nan 8.280 nan 0.000 0.538 193 D N 2.715 123.130 120.400 0.026 0.000 2.396 193 D HA -0.008 4.831 4.640 0.333 0.000 0.225 193 D C 1.252 177.569 176.300 0.029 0.000 1.121 193 D CA -0.304 53.717 54.000 0.035 0.000 0.853 193 D CB 1.768 42.534 40.800 -0.057 0.000 1.043 193 D HN 0.473 nan 8.370 nan 0.000 0.500 194 Q N 2.301 122.062 119.800 -0.065 0.000 2.152 194 Q HA -0.191 4.349 4.340 0.333 0.000 0.206 194 Q C 1.525 177.508 176.000 -0.028 0.000 0.985 194 Q CA 1.638 57.415 55.803 -0.044 0.000 0.863 194 Q CB -0.570 28.015 28.738 -0.254 0.000 0.904 194 Q HN 0.306 nan 8.270 nan 0.000 0.422 195 V N 1.305 121.184 119.914 -0.058 0.000 2.287 195 V HA -0.273 4.047 4.120 0.333 0.000 0.248 195 V C 2.302 178.357 176.094 -0.065 0.000 1.053 195 V CA 2.281 64.544 62.300 -0.061 0.000 1.027 195 V CB -0.756 31.031 31.823 -0.060 0.000 0.646 195 V HN 0.446 nan 8.190 nan 0.000 0.447 196 E N 0.226 120.397 120.200 -0.049 0.000 2.077 196 E HA -0.216 4.334 4.350 0.333 0.000 0.193 196 E C 2.356 178.879 176.600 -0.129 0.000 0.989 196 E CA 1.322 57.674 56.400 -0.080 0.000 0.800 196 E CB -0.305 29.390 29.700 -0.009 0.000 0.746 196 E HN 0.617 nan 8.360 nan 0.000 0.452 197 A N 1.643 124.439 122.820 -0.039 0.000 1.841 197 A HA -0.217 4.303 4.320 0.333 0.000 0.216 197 A C 2.189 179.726 177.584 -0.079 0.000 1.199 197 A CA 1.507 53.532 52.037 -0.020 0.000 0.621 197 A CB -0.476 18.585 19.000 0.101 0.000 0.835 197 A HN 0.129 nan 8.150 nan 0.000 0.445 198 M N -0.342 119.226 119.600 -0.053 0.000 2.144 198 M HA -0.143 4.537 4.480 0.333 0.000 0.260 198 M C 2.094 178.317 176.300 -0.127 0.000 1.067 198 M CA 2.106 57.360 55.300 -0.076 0.000 1.095 198 M CB -1.784 30.769 32.600 -0.078 0.000 1.365 198 M HN 0.477 nan 8.290 nan 0.000 0.406 199 T N 0.594 115.055 114.554 -0.154 0.000 2.978 199 T HA 0.087 4.637 4.350 0.333 0.000 0.262 199 T C 1.975 176.512 174.700 -0.272 0.000 1.063 199 T CA 0.748 62.739 62.100 -0.181 0.000 1.140 199 T CB 0.140 68.916 68.868 -0.154 0.000 0.886 199 T HN 0.305 nan 8.240 nan 0.000 0.470 200 L N 0.096 121.079 121.223 -0.401 0.000 2.286 200 L HA 0.413 4.952 4.340 0.333 0.000 0.203 200 L C 1.485 177.808 176.870 -0.912 0.000 1.068 200 L CA -0.182 54.225 54.840 -0.722 0.000 0.811 200 L CB -0.426 41.039 42.059 -0.990 0.000 0.989 200 L HN 0.093 nan 8.230 nan 0.000 0.467 201 A N 0.296 122.771 122.820 -0.576 0.000 2.425 201 A HA 0.058 4.577 4.320 0.333 0.000 0.242 201 A C 0.374 177.865 177.584 -0.156 0.000 1.077 201 A CA -0.108 51.722 52.037 -0.345 0.000 0.781 201 A CB 0.246 19.189 19.000 -0.095 0.000 1.020 201 A HN 0.194 nan 8.150 nan 0.000 0.494 202 D N -0.354 120.035 120.400 -0.017 0.000 2.324 202 D HA 0.103 4.943 4.640 0.333 0.000 0.212 202 D C 0.372 176.723 176.300 0.084 0.000 0.984 202 D CA 1.065 55.103 54.000 0.063 0.000 0.885 202 D CB 0.384 41.272 40.800 0.147 0.000 0.996 202 D HN 0.583 nan 8.370 nan 0.000 0.505 203 K N 0.832 121.294 120.400 0.102 0.000 2.513 203 K HA 0.316 4.836 4.320 0.333 0.000 0.251 203 K C -1.594 175.089 176.600 0.138 0.000 0.939 203 K CA -0.509 55.849 56.287 0.119 0.000 0.793 203 K CB 2.053 34.628 32.500 0.126 0.000 1.241 203 K HN -0.255 nan 8.250 nan 0.000 0.431 204 I N 4.111 124.762 120.570 0.136 0.000 2.493 204 I HA 0.329 4.699 4.170 0.333 0.000 0.298 204 I C -0.462 175.755 176.117 0.167 0.000 0.998 204 I CA -0.935 60.463 61.300 0.164 0.000 1.137 204 I CB 1.658 39.745 38.000 0.146 0.000 1.310 204 I HN 0.463 nan 8.210 nan 0.000 0.445 205 V N 7.460 127.492 119.914 0.198 0.000 2.407 205 V HA 0.485 4.804 4.120 0.333 0.000 0.291 205 V C -0.673 175.467 176.094 0.077 0.000 1.018 205 V CA -0.387 61.976 62.300 0.105 0.000 0.842 205 V CB 1.785 33.623 31.823 0.025 0.000 0.996 205 V HN 0.394 nan 8.190 nan 0.000 0.426 206 V N 8.137 128.082 119.914 0.053 0.000 2.406 206 V HA 0.437 4.757 4.120 0.333 0.000 0.272 206 V C 0.217 176.280 176.094 -0.050 0.000 1.043 206 V CA -0.318 61.996 62.300 0.025 0.000 0.915 206 V CB 1.147 33.025 31.823 0.090 0.000 0.988 206 V HN 0.775 nan 8.190 nan 0.000 0.466 207 L N 4.384 125.545 121.223 -0.103 0.000 2.317 207 L HA 0.641 5.181 4.340 0.333 0.000 0.281 207 L C -0.672 176.037 176.870 -0.267 0.000 1.024 207 L CA -0.363 54.376 54.840 -0.168 0.000 0.810 207 L CB 1.853 43.828 42.059 -0.140 0.000 1.240 207 L HN 0.608 nan 8.230 nan 0.000 0.427 208 D N 2.876 123.026 120.400 -0.416 0.000 2.686 208 D HA 0.473 5.313 4.640 0.333 0.000 0.249 208 D C 0.236 176.292 176.300 -0.407 0.000 1.260 208 D CA -0.090 53.485 54.000 -0.709 0.000 0.910 208 D CB 1.792 41.722 40.800 -1.450 0.000 1.323 208 D HN 0.703 nan 8.370 nan 0.000 0.561 209 A N 3.010 125.666 122.820 -0.273 0.000 2.704 209 A HA 0.077 4.597 4.320 0.333 0.000 0.299 209 A C 1.600 179.108 177.584 -0.128 0.000 1.507 209 A CA 2.005 53.946 52.037 -0.160 0.000 0.776 209 A CB -2.008 16.896 19.000 -0.159 0.000 1.027 209 A HN 1.878 nan 8.150 nan 0.000 0.475 210 G N -1.849 106.877 108.800 -0.123 0.000 2.217 210 G HA2 -0.226 3.934 3.960 0.333 0.000 0.246 210 G HA3 -0.226 3.934 3.960 0.333 0.000 0.246 210 G C 0.183 175.011 174.900 -0.120 0.000 0.990 210 G CA 1.130 46.173 45.100 -0.096 0.000 0.627 210 G HN 2.212 nan 8.290 nan 0.000 0.522 211 R N -0.331 120.076 120.500 -0.154 0.000 2.643 211 R HA 0.731 5.271 4.340 0.333 0.000 0.272 211 R C -0.458 175.744 176.300 -0.164 0.000 0.995 211 R CA -0.737 55.276 56.100 -0.145 0.000 1.032 211 R CB 1.690 31.906 30.300 -0.140 0.000 1.126 211 R HN 0.163 nan 8.270 nan 0.000 0.505 212 V N 3.044 122.878 119.914 -0.133 0.000 2.353 212 V HA 0.189 4.509 4.120 0.333 0.000 0.264 212 V C 1.166 177.209 176.094 -0.084 0.000 1.049 212 V CA 0.303 62.530 62.300 -0.121 0.000 0.896 212 V CB 0.423 32.181 31.823 -0.108 0.000 1.025 212 V HN 1.045 nan 8.190 nan 0.000 0.475 213 A N 4.463 127.234 122.820 -0.082 0.000 1.930 213 A HA -0.002 4.518 4.320 0.333 0.000 0.217 213 A C 0.911 178.522 177.584 0.045 0.000 1.175 213 A CA 1.217 53.242 52.037 -0.019 0.000 0.627 213 A CB 0.044 19.067 19.000 0.039 0.000 0.815 213 A HN 0.799 nan 8.150 nan 0.000 0.443 214 Q N -2.427 117.401 119.800 0.047 0.000 2.736 214 Q HA 0.485 5.025 4.340 0.333 0.000 0.273 214 Q C -2.394 173.647 176.000 0.068 0.000 0.948 214 Q CA -0.524 55.322 55.803 0.073 0.000 0.854 214 Q CB 1.301 30.112 28.738 0.121 0.000 1.569 214 Q HN 0.117 nan 8.270 nan 0.000 0.405 215 V N 1.493 121.451 119.914 0.073 0.000 2.656 215 V HA 1.012 5.331 4.120 0.333 0.000 0.307 215 V C 0.113 176.269 176.094 0.102 0.000 1.051 215 V CA 0.374 62.721 62.300 0.079 0.000 0.893 215 V CB 1.617 33.473 31.823 0.055 0.000 0.999 215 V HN 0.994 nan 8.190 nan 0.000 0.426 216 G N 3.069 111.938 108.800 0.115 0.000 2.321 216 G HA2 0.268 4.428 3.960 0.333 0.000 0.298 216 G HA3 0.268 4.428 3.960 0.333 0.000 0.298 216 G C -1.517 173.460 174.900 0.128 0.000 1.385 216 G CA -1.081 44.095 45.100 0.126 0.000 0.856 216 G HN 0.567 nan 8.290 nan 0.000 0.584 217 K N 0.932 121.410 120.400 0.129 0.000 2.380 217 K HA 0.201 4.721 4.320 0.333 0.000 0.267 217 K C -1.576 175.093 176.600 0.114 0.000 0.990 217 K CA -1.002 55.353 56.287 0.114 0.000 0.946 217 K CB 1.184 33.753 32.500 0.115 0.000 0.937 217 K HN 0.077 nan 8.250 nan 0.000 0.491 218 P HA -0.219 nan 4.420 nan 0.000 0.215 218 P C 1.031 178.379 177.300 0.080 0.000 1.163 218 P CA 1.430 64.567 63.100 0.061 0.000 0.894 218 P CB 0.130 31.829 31.700 -0.001 0.000 0.791 219 L N -0.979 120.285 121.223 0.069 0.000 2.201 219 L HA -0.168 4.372 4.340 0.333 0.000 0.212 219 L C 2.339 179.332 176.870 0.206 0.000 1.105 219 L CA 1.395 56.283 54.840 0.081 0.000 0.775 219 L CB -0.762 41.374 42.059 0.128 0.000 0.913 219 L HN 0.077 nan 8.230 nan 0.000 0.440 220 E N -0.075 120.268 120.200 0.238 0.000 2.047 220 E HA -0.216 4.333 4.350 0.333 0.000 0.191 220 E C 2.132 178.906 176.600 0.290 0.000 0.987 220 E CA 0.921 57.514 56.400 0.322 0.000 0.799 220 E CB -0.003 29.853 29.700 0.260 0.000 0.752 220 E HN 0.228 nan 8.360 nan 0.000 0.449 221 L N -0.085 121.271 121.223 0.221 0.000 2.141 221 L HA -0.169 4.371 4.340 0.333 0.000 0.209 221 L C 2.136 179.117 176.870 0.185 0.000 1.094 221 L CA 1.516 56.479 54.840 0.205 0.000 0.763 221 L CB -0.669 41.501 42.059 0.184 0.000 0.908 221 L HN 0.218 nan 8.230 nan 0.000 0.437 222 Y N -1.171 119.134 120.300 0.007 0.000 2.243 222 Y HA -0.165 4.579 4.550 0.323 0.000 0.293 222 Y C 2.710 178.556 175.900 -0.089 0.000 1.124 222 Y CA 1.589 59.638 58.100 -0.084 0.000 1.159 222 Y CB -0.015 38.313 38.460 -0.219 0.000 1.008 222 Y HN 0.233 nan 8.280 nan 0.000 0.527 223 H N -1.782 117.263 119.070 -0.041 0.000 2.448 223 H HA 0.074 4.828 4.556 0.331 0.000 0.292 223 H C -0.352 174.598 175.328 -0.630 0.000 1.035 223 H CA 0.990 56.763 56.048 -0.458 0.000 1.349 223 H CB 0.004 29.316 29.762 -0.751 0.000 1.425 223 H HN 0.290 nan 8.280 nan 0.000 0.539 224 Y N 1.208 121.687 120.300 0.298 0.000 2.584 224 Y HA 0.284 5.037 4.550 0.339 0.000 0.358 224 Y C -2.366 173.671 175.900 0.228 0.000 1.028 224 Y CA -3.203 55.040 58.100 0.239 0.000 1.148 224 Y CB 0.738 39.300 38.460 0.171 0.000 1.126 224 Y HN 0.007 nan 8.280 nan 0.000 0.658 225 P HA 0.111 nan 4.420 nan 0.000 0.271 225 P C 0.547 178.051 177.300 0.339 0.000 1.216 225 P CA 0.251 63.529 63.100 0.296 0.000 0.776 225 P CB 2.007 33.853 31.700 0.243 0.000 0.881 226 A N 3.318 126.300 122.820 0.270 0.000 1.969 226 A HA -0.071 4.449 4.320 0.333 0.000 0.218 226 A C 0.636 178.388 177.584 0.280 0.000 1.169 226 A CA 1.614 53.794 52.037 0.238 0.000 0.635 226 A CB -0.739 18.365 19.000 0.172 0.000 0.810 226 A HN 0.737 nan 8.150 nan 0.000 0.445 227 D N -4.927 115.653 120.400 0.299 0.000 2.677 227 D HA 0.320 5.160 4.640 0.333 0.000 0.298 227 D C 0.646 176.992 176.300 0.077 0.000 1.250 227 D CA -0.857 53.312 54.000 0.282 0.000 0.888 227 D CB 0.332 41.234 40.800 0.171 0.000 1.397 227 D HN -0.210 nan 8.370 nan 0.000 0.461 228 R N -0.503 119.829 120.500 -0.279 0.000 2.103 228 R HA -0.125 4.415 4.340 0.333 0.000 0.242 228 R C 1.763 177.894 176.300 -0.282 0.000 1.142 228 R CA 1.222 56.886 56.100 -0.728 0.000 0.960 228 R CB -0.712 29.152 30.300 -0.727 0.000 0.858 228 R HN 0.597 nan 8.270 nan 0.000 0.439 229 F N 0.803 120.649 119.950 -0.173 0.000 2.069 229 F HA -0.246 4.485 4.527 0.339 0.000 0.298 229 F C 2.249 178.066 175.800 0.029 0.000 1.113 229 F CA 1.673 59.633 58.000 -0.068 0.000 1.214 229 F CB -0.501 38.462 39.000 -0.062 0.000 0.978 229 F HN -0.232 nan 8.300 nan 0.000 0.474 230 V N 0.593 120.574 119.914 0.112 0.000 2.343 230 V HA -0.307 4.013 4.120 0.333 0.000 0.247 230 V C 2.726 178.846 176.094 0.043 0.000 1.051 230 V CA 1.743 64.100 62.300 0.095 0.000 1.036 230 V CB -1.652 30.290 31.823 0.198 0.000 0.654 230 V HN 0.514 nan 8.190 nan 0.000 0.451 231 A N 0.334 123.173 122.820 0.032 0.000 2.019 231 A HA -0.060 4.460 4.320 0.333 0.000 0.219 231 A C 2.175 179.773 177.584 0.025 0.000 1.164 231 A CA 1.829 53.882 52.037 0.027 0.000 0.644 231 A CB -0.727 18.313 19.000 0.068 0.000 0.805 231 A HN 0.583 nan 8.150 nan 0.000 0.449 232 G N -3.250 105.557 108.800 0.012 0.000 3.233 232 G HA2 0.268 4.428 3.960 0.333 0.000 0.234 232 G HA3 0.268 4.428 3.960 0.333 0.000 0.234 232 G C 0.859 175.717 174.900 -0.070 0.000 1.137 232 G CA 0.476 45.597 45.100 0.034 0.000 0.763 232 G HN 0.423 nan 8.290 nan 0.000 0.549 233 F N 0.323 120.113 119.950 -0.267 0.000 2.559 233 F HA 0.470 5.200 4.527 0.338 0.000 0.286 233 F C 0.440 176.177 175.800 -0.104 0.000 1.108 233 F CA -0.262 57.581 58.000 -0.262 0.000 1.436 233 F CB 0.648 39.375 39.000 -0.456 0.000 1.130 233 F HN -0.162 nan 8.300 nan 0.000 0.584 234 I N 1.652 122.236 120.570 0.025 0.000 2.312 234 I HA 0.512 4.882 4.170 0.333 0.000 0.290 234 I C 0.121 176.243 176.117 0.008 0.000 1.008 234 I CA -0.205 61.112 61.300 0.029 0.000 1.226 234 I CB 0.270 38.361 38.000 0.152 0.000 1.371 234 I HN 0.269 nan 8.210 nan 0.000 0.468 235 G N 3.862 112.651 108.800 -0.019 0.000 2.897 235 G HA2 -0.031 4.129 3.960 0.333 0.000 0.392 235 G HA3 -0.031 4.129 3.960 0.333 0.000 0.392 235 G C 0.384 175.248 174.900 -0.061 0.000 1.263 235 G CA -0.281 44.827 45.100 0.013 0.000 1.185 235 G HN 0.505 nan 8.290 nan 0.000 0.573 236 S N 1.494 117.160 115.700 -0.057 0.000 2.433 236 S HA -0.149 4.521 4.470 0.333 0.000 0.270 236 S C -1.016 173.540 174.600 -0.072 0.000 1.068 236 S CA 1.955 60.111 58.200 -0.073 0.000 1.375 236 S CB -0.769 62.394 63.200 -0.063 0.000 1.255 236 S HN 0.630 nan 8.310 nan 0.000 0.442 237 P HA 0.321 nan 4.420 nan 0.000 0.293 237 P C -0.497 176.755 177.300 -0.080 0.000 1.300 237 P CA -0.335 62.729 63.100 -0.061 0.000 0.792 237 P CB 0.657 32.323 31.700 -0.056 0.000 0.925 238 K N 3.656 124.006 120.400 -0.082 0.000 2.559 238 K HA -0.027 4.493 4.320 0.333 0.000 0.279 238 K C 0.356 176.861 176.600 -0.158 0.000 0.967 238 K CA 0.027 56.256 56.287 -0.097 0.000 1.000 238 K CB 0.249 32.718 32.500 -0.051 0.000 0.890 238 K HN 0.479 nan 8.250 nan 0.000 0.501 239 M N 3.551 123.005 119.600 -0.244 0.000 2.245 239 M HA -0.026 4.654 4.480 0.333 0.000 0.344 239 M C -0.597 175.311 176.300 -0.653 0.000 1.170 239 M CA 0.309 55.349 55.300 -0.434 0.000 1.135 239 M CB 0.356 32.610 32.600 -0.576 0.000 1.574 239 M HN 0.597 nan 8.290 nan 0.000 0.452 240 N N 2.962 121.366 118.700 -0.494 0.000 2.525 240 N HA 0.378 5.318 4.740 0.333 0.000 0.271 240 N C -1.756 173.400 175.510 -0.590 0.000 1.194 240 N CA 0.193 53.015 53.050 -0.380 0.000 0.964 240 N CB 0.608 39.002 38.487 -0.154 0.000 1.126 240 N HN 0.364 nan 8.380 nan 0.000 0.452 241 F N 1.302 121.266 119.950 0.024 0.000 2.539 241 F HA 0.403 5.142 4.527 0.354 0.000 0.328 241 F C -0.640 175.187 175.800 0.045 0.000 1.148 241 F CA -0.677 57.350 58.000 0.046 0.000 0.940 241 F CB 0.905 39.914 39.000 0.014 0.000 1.194 241 F HN 0.080 nan 8.300 nan 0.000 0.438 242 L N 5.715 127.079 121.223 0.236 0.000 2.313 242 L HA 0.520 5.059 4.340 0.333 0.000 0.283 242 L C -2.436 174.518 176.870 0.140 0.000 1.013 242 L CA -2.106 52.821 54.840 0.145 0.000 0.816 242 L CB 1.916 44.030 42.059 0.091 0.000 1.236 242 L HN 0.287 nan 8.230 nan 0.000 0.419 243 P HA 0.148 nan 4.420 nan 0.000 0.276 243 P C -0.672 176.661 177.300 0.055 0.000 1.253 243 P CA -0.051 63.094 63.100 0.076 0.000 0.766 243 P CB 1.477 33.209 31.700 0.053 0.000 0.845 244 V N 0.890 120.835 119.914 0.052 0.000 3.126 244 V HA 0.683 5.003 4.120 0.333 0.000 0.314 244 V C -0.573 175.527 176.094 0.011 0.000 1.138 244 V CA -1.285 61.030 62.300 0.025 0.000 1.034 244 V CB 2.461 34.296 31.823 0.021 0.000 1.075 244 V HN 0.367 nan 8.190 nan 0.000 0.442 245 K N 1.236 121.629 120.400 -0.012 0.000 2.413 245 K HA 0.644 5.164 4.320 0.333 0.000 0.257 245 K C -1.085 175.487 176.600 -0.047 0.000 0.946 245 K CA -0.720 55.554 56.287 -0.021 0.000 0.823 245 K CB 2.017 34.504 32.500 -0.022 0.000 1.109 245 K HN 0.916 nan 8.250 nan 0.000 0.427 246 V N 4.652 124.539 119.914 -0.045 0.000 2.521 246 V HA 0.098 4.418 4.120 0.333 0.000 0.286 246 V C 0.679 176.720 176.094 -0.089 0.000 1.034 246 V CA 0.977 63.233 62.300 -0.074 0.000 1.045 246 V CB 0.986 32.779 31.823 -0.051 0.000 0.974 246 V HN 1.016 nan 8.190 nan 0.000 0.480 247 T N 3.208 117.675 114.554 -0.145 0.000 3.044 247 T HA 0.718 5.267 4.350 0.333 0.000 0.260 247 T C 0.234 174.839 174.700 -0.158 0.000 1.019 247 T CA 0.343 62.358 62.100 -0.141 0.000 0.921 247 T CB 0.262 69.033 68.868 -0.162 0.000 1.053 247 T HN 1.816 nan 8.240 nan 0.000 0.533 248 A N 0.864 123.568 122.820 -0.193 0.000 2.586 248 A HA 0.619 5.139 4.320 0.333 0.000 0.298 248 A C -0.336 177.213 177.584 -0.058 0.000 1.013 248 A CA -0.474 51.484 52.037 -0.131 0.000 0.707 248 A CB 0.571 19.456 19.000 -0.193 0.000 1.276 248 A HN 0.714 nan 8.150 nan 0.000 0.414 249 T N -1.009 113.622 114.554 0.130 0.000 2.864 249 T HA 1.094 5.644 4.350 0.333 0.000 0.289 249 T C -0.014 174.866 174.700 0.300 0.000 1.082 249 T CA 0.078 62.309 62.100 0.219 0.000 1.009 249 T CB 1.671 70.605 68.868 0.111 0.000 1.234 249 T HN 2.638 nan 8.240 nan 0.000 0.526 250 A N 0.260 123.216 122.820 0.228 0.000 2.483 250 A HA 0.682 5.202 4.320 0.333 0.000 0.306 250 A C -1.759 175.858 177.584 0.055 0.000 1.137 250 A CA -1.000 51.102 52.037 0.107 0.000 0.626 250 A CB 0.152 19.153 19.000 0.003 0.000 1.352 250 A HN 0.817 nan 8.150 nan 0.000 0.508 251 I N 1.715 122.286 120.570 0.002 0.000 2.371 251 I HA 0.328 4.698 4.170 0.333 0.000 0.290 251 I C -0.273 175.836 176.117 -0.013 0.000 1.028 251 I CA 0.381 61.679 61.300 -0.004 0.000 1.345 251 I CB 0.349 38.338 38.000 -0.018 0.000 1.407 251 I HN 0.514 nan 8.210 nan 0.000 0.501 252 D N 4.279 124.681 120.400 0.003 0.000 2.723 252 D HA -0.237 4.603 4.640 0.333 0.000 0.236 252 D C -0.068 176.241 176.300 0.014 0.000 1.138 252 D CA 0.872 54.873 54.000 0.001 0.000 0.676 252 D CB -0.588 40.201 40.800 -0.018 0.000 1.069 252 D HN 0.758 nan 8.370 nan 0.000 0.430 253 Q N -0.843 118.994 119.800 0.062 0.000 2.518 253 Q HA 0.393 4.932 4.340 0.333 0.000 0.254 253 Q C -2.042 174.155 176.000 0.328 0.000 0.962 253 Q CA -0.584 55.306 55.803 0.146 0.000 0.982 253 Q CB 1.846 30.580 28.738 -0.008 0.000 1.516 253 Q HN -0.003 nan 8.270 nan 0.000 0.426 254 V N 3.113 123.247 119.914 0.366 0.000 2.709 254 V HA 0.489 4.809 4.120 0.333 0.000 0.308 254 V C -0.764 175.377 176.094 0.079 0.000 1.062 254 V CA -0.688 61.757 62.300 0.241 0.000 0.901 254 V CB 1.898 33.769 31.823 0.080 0.000 1.003 254 V HN 0.761 nan 8.190 nan 0.000 0.425 255 Q N 3.117 122.668 119.800 -0.416 0.000 2.312 255 Q HA 0.809 5.349 4.340 0.333 0.000 0.263 255 Q C -1.249 174.491 176.000 -0.433 0.000 0.995 255 Q CA -0.508 54.797 55.803 -0.830 0.000 0.853 255 Q CB 2.243 29.818 28.738 -1.938 0.000 1.300 255 Q HN 0.810 nan 8.270 nan 0.000 0.448 256 V N 0.289 120.018 119.914 -0.309 0.000 3.130 256 V HA 0.687 5.007 4.120 0.333 0.000 0.310 256 V C -1.215 174.784 176.094 -0.157 0.000 1.158 256 V CA -0.977 61.215 62.300 -0.181 0.000 1.029 256 V CB 1.813 33.578 31.823 -0.097 0.000 1.057 256 V HN 0.960 nan 8.190 nan 0.000 0.436 257 E N 2.897 123.033 120.200 -0.106 0.000 2.171 257 E HA 0.633 5.183 4.350 0.333 0.000 0.271 257 E C -1.091 175.482 176.600 -0.046 0.000 0.916 257 E CA -0.917 55.434 56.400 -0.081 0.000 0.774 257 E CB 2.078 31.734 29.700 -0.074 0.000 1.128 257 E HN 0.750 nan 8.360 nan 0.000 0.403 258 L N 4.549 125.750 121.223 -0.036 0.000 2.426 258 L HA 0.164 4.704 4.340 0.333 0.000 0.271 258 L C -1.189 175.676 176.870 -0.009 0.000 1.169 258 L CA -1.721 53.109 54.840 -0.015 0.000 0.836 258 L CB 0.474 42.525 42.059 -0.013 0.000 1.112 258 L HN 0.603 nan 8.230 nan 0.000 0.465 259 P HA -0.142 nan 4.420 nan 0.000 0.234 259 P C 0.161 177.462 177.300 0.003 0.000 1.162 259 P CA 0.774 63.877 63.100 0.006 0.000 0.759 259 P CB 0.071 31.781 31.700 0.017 0.000 0.813 260 M N -0.010 119.589 119.600 -0.001 0.000 2.251 260 M HA 0.078 4.758 4.480 0.333 0.000 0.343 260 M C -1.598 174.699 176.300 -0.005 0.000 1.245 260 M CA -2.007 53.291 55.300 -0.003 0.000 1.061 260 M CB -0.957 31.639 32.600 -0.007 0.000 1.723 260 M HN -0.222 nan 8.290 nan 0.000 0.449 261 P HA -0.060 nan 4.420 nan 0.000 0.236 261 P C 0.962 178.258 177.300 -0.007 0.000 1.172 261 P CA 0.884 63.982 63.100 -0.004 0.000 0.759 261 P CB -0.025 31.674 31.700 -0.002 0.000 0.843 262 N N 0.255 118.950 118.700 -0.009 0.000 2.325 262 N HA -0.003 4.936 4.740 0.333 0.000 0.182 262 N C 0.295 175.795 175.510 -0.016 0.000 1.088 262 N CA 0.100 53.143 53.050 -0.012 0.000 0.879 262 N CB 0.002 38.482 38.487 -0.012 0.000 0.983 262 N HN -0.120 nan 8.380 nan 0.000 0.471 263 R N 1.317 121.807 120.500 -0.017 0.000 3.358 263 R HA -0.219 4.321 4.340 0.333 0.000 0.248 263 R C -0.076 176.205 176.300 -0.033 0.000 0.981 263 R CA 0.356 56.442 56.100 -0.024 0.000 0.662 263 R CB -2.099 28.187 30.300 -0.024 0.000 1.037 263 R HN 0.558 nan 8.270 nan 0.000 0.460 264 Q N 1.481 121.264 119.800 -0.030 0.000 2.315 264 Q HA -0.038 4.502 4.340 0.333 0.000 0.289 264 Q C -0.349 175.619 176.000 -0.054 0.000 1.044 264 Q CA 0.661 56.444 55.803 -0.034 0.000 0.920 264 Q CB 0.609 29.332 28.738 -0.026 0.000 1.214 264 Q HN 0.237 nan 8.270 nan 0.000 0.392 265 Q N 2.244 122.001 119.800 -0.071 0.000 2.256 265 Q HA 0.534 5.074 4.340 0.333 0.000 0.257 265 Q C -1.212 174.710 176.000 -0.129 0.000 0.936 265 Q CA -0.715 55.011 55.803 -0.128 0.000 0.903 265 Q CB 2.073 30.711 28.738 -0.167 0.000 1.263 265 Q HN 0.407 nan 8.270 nan 0.000 0.440 266 V N 1.619 121.434 119.914 -0.165 0.000 2.709 266 V HA 0.364 4.684 4.120 0.333 0.000 0.308 266 V C -1.171 174.843 176.094 -0.134 0.000 1.062 266 V CA -1.058 61.186 62.300 -0.094 0.000 0.901 266 V CB 1.481 33.286 31.823 -0.031 0.000 1.003 266 V HN 0.727 nan 8.190 nan 0.000 0.425 267 W N 4.291 125.581 121.300 -0.018 0.000 2.316 267 W HA 0.690 5.548 4.660 0.332 0.000 0.311 267 W C -0.347 176.155 176.519 -0.028 0.000 1.217 267 W CA -0.313 57.020 57.345 -0.019 0.000 1.199 267 W CB 1.029 30.479 29.460 -0.017 0.000 1.202 267 W HN 0.328 nan 8.180 nan 0.000 0.528 268 L N 6.306 127.671 121.223 0.236 0.000 2.325 268 L HA 0.336 4.876 4.340 0.333 0.000 0.281 268 L C -1.732 175.205 176.870 0.112 0.000 1.004 268 L CA -2.205 52.702 54.840 0.110 0.000 0.823 268 L CB 1.849 43.929 42.059 0.035 0.000 1.236 268 L HN 0.176 nan 8.230 nan 0.000 0.415 269 P HA 0.017 nan 4.420 nan 0.000 0.235 269 P C -0.400 176.920 177.300 0.034 0.000 1.720 269 P CA 0.130 63.261 63.100 0.051 0.000 1.003 269 P CB -0.280 31.448 31.700 0.047 0.000 1.968 270 V N -2.260 117.675 119.914 0.035 0.000 2.769 270 V HA 0.342 4.662 4.120 0.333 0.000 0.312 270 V C 1.804 177.908 176.094 0.017 0.000 1.058 270 V CA -1.004 61.301 62.300 0.008 0.000 0.952 270 V CB 1.688 33.499 31.823 -0.021 0.000 1.019 270 V HN 0.152 nan 8.190 nan 0.000 0.445 271 E N 2.162 122.362 120.200 0.001 0.000 2.330 271 E HA -0.439 4.111 4.350 0.333 0.000 0.239 271 E C 1.434 178.043 176.600 0.016 0.000 1.097 271 E CA 3.453 59.854 56.400 0.002 0.000 1.031 271 E CB -0.214 29.483 29.700 -0.003 0.000 0.885 271 E HN 1.665 nan 8.360 nan 0.000 0.479 272 S N -1.558 114.156 115.700 0.023 0.000 3.018 272 S HA -0.276 4.394 4.470 0.333 0.000 0.274 272 S C 0.553 175.170 174.600 0.028 0.000 1.300 272 S CA 1.415 59.637 58.200 0.037 0.000 1.179 272 S CB -1.505 61.728 63.200 0.055 0.000 1.427 272 S HN 0.523 nan 8.310 nan 0.000 0.668 273 R N 1.384 121.895 120.500 0.019 0.000 0.631 273 R HA -0.016 4.524 4.340 0.333 0.000 0.045 273 R C 0.429 176.741 176.300 0.020 0.000 0.423 273 R CA 0.932 57.042 56.100 0.017 0.000 2.169 273 R CB -0.539 29.770 30.300 0.014 0.000 0.471 273 R HN 0.433 nan 8.270 nan 0.000 0.808 274 D N 1.037 121.448 120.400 0.019 0.000 2.569 274 D HA -0.012 4.828 4.640 0.333 0.000 0.254 274 D C -1.351 174.962 176.300 0.022 0.000 1.274 274 D CA 0.481 54.493 54.000 0.020 0.000 1.306 274 D CB -0.430 40.383 40.800 0.021 0.000 1.139 274 D HN 0.180 nan 8.370 nan 0.000 0.511 275 V N 3.495 123.421 119.914 0.021 0.000 2.610 275 V HA 0.302 4.622 4.120 0.333 0.000 0.298 275 V C -1.329 174.775 176.094 0.018 0.000 1.067 275 V CA -0.659 61.653 62.300 0.020 0.000 0.894 275 V CB 1.654 33.489 31.823 0.020 0.000 1.015 275 V HN 0.313 nan 8.190 nan 0.000 0.432 276 Q N 4.176 123.984 119.800 0.013 0.000 2.266 276 Q HA 0.633 5.173 4.340 0.333 0.000 0.261 276 Q C -0.536 175.465 176.000 0.002 0.000 0.985 276 Q CA -0.943 54.866 55.803 0.010 0.000 0.873 276 Q CB 2.717 31.461 28.738 0.010 0.000 1.306 276 Q HN 0.693 nan 8.270 nan 0.000 0.447 277 V N 1.320 121.234 119.914 -0.000 0.000 2.788 277 V HA 0.055 4.375 4.120 0.333 0.000 0.307 277 V C 1.384 177.470 176.094 -0.012 0.000 1.069 277 V CA 1.962 64.255 62.300 -0.013 0.000 1.173 277 V CB 0.323 32.139 31.823 -0.011 0.000 0.925 277 V HN 1.170 nan 8.190 nan 0.000 0.492 278 G N 2.897 111.684 108.800 -0.021 0.000 2.225 278 G HA2 -0.137 4.023 3.960 0.333 0.000 0.254 278 G HA3 -0.137 4.023 3.960 0.333 0.000 0.254 278 G C 0.474 175.369 174.900 -0.009 0.000 0.988 278 G CA 0.235 45.326 45.100 -0.015 0.000 0.625 278 G HN 1.626 nan 8.290 nan 0.000 0.527 279 A N 0.247 123.064 122.820 -0.006 0.000 2.445 279 A HA 0.541 5.061 4.320 0.333 0.000 0.242 279 A C 0.418 178.004 177.584 0.004 0.000 1.075 279 A CA 0.102 52.141 52.037 0.002 0.000 0.777 279 A CB 0.197 19.201 19.000 0.007 0.000 1.013 279 A HN 0.393 nan 8.150 nan 0.000 0.493 280 N N 1.685 120.392 118.700 0.011 0.000 2.434 280 N HA 0.526 5.466 4.740 0.333 0.000 0.272 280 N C -0.475 175.054 175.510 0.032 0.000 1.040 280 N CA 0.246 53.306 53.050 0.017 0.000 0.956 280 N CB 1.265 39.761 38.487 0.015 0.000 1.108 280 N HN 0.646 nan 8.380 nan 0.000 0.481 281 M N -0.263 119.363 119.600 0.043 0.000 2.745 281 M HA 0.326 5.005 4.480 0.333 0.000 0.290 281 M C -0.289 176.076 176.300 0.109 0.000 1.262 281 M CA -0.849 54.495 55.300 0.075 0.000 0.795 281 M CB 1.932 34.570 32.600 0.063 0.000 1.758 281 M HN 0.210 nan 8.290 nan 0.000 0.461 282 S N 1.338 117.151 115.700 0.189 0.000 2.474 282 S HA 0.594 5.264 4.470 0.333 0.000 0.321 282 S C -1.259 173.565 174.600 0.375 0.000 1.080 282 S CA -0.710 57.655 58.200 0.276 0.000 1.106 282 S CB 0.611 63.975 63.200 0.273 0.000 0.984 282 S HN 0.579 nan 8.310 nan 0.000 0.464 283 L N 5.472 126.868 121.223 0.289 0.000 2.276 283 L HA 0.778 5.318 4.340 0.333 0.000 0.286 283 L C 0.354 177.427 176.870 0.339 0.000 1.061 283 L CA -0.227 54.754 54.840 0.236 0.000 0.807 283 L CB 0.649 42.781 42.059 0.122 0.000 1.177 283 L HN 0.732 nan 8.230 nan 0.000 0.429 284 G N 5.421 114.437 108.800 0.360 0.000 2.417 284 G HA2 0.586 4.746 3.960 0.333 0.000 0.320 284 G HA3 0.586 4.746 3.960 0.333 0.000 0.320 284 G C -1.578 173.395 174.900 0.122 0.000 1.204 284 G CA -0.362 44.883 45.100 0.241 0.000 0.923 284 G HN 0.530 nan 8.290 nan 0.000 0.466 285 I N 1.304 121.846 120.570 -0.045 0.000 2.548 285 I HA 0.440 4.810 4.170 0.333 0.000 0.287 285 I C 0.074 176.173 176.117 -0.030 0.000 1.103 285 I CA -0.908 60.404 61.300 0.021 0.000 1.049 285 I CB 1.671 39.695 38.000 0.039 0.000 1.232 285 I HN 0.487 nan 8.210 nan 0.000 0.429 286 R N 7.586 128.134 120.500 0.080 0.000 2.543 286 R HA 0.233 4.773 4.340 0.333 0.000 0.277 286 R C -1.745 174.595 176.300 0.068 0.000 1.074 286 R CA -1.138 55.007 56.100 0.075 0.000 1.076 286 R CB 0.163 30.620 30.300 0.262 0.000 0.993 286 R HN 0.420 nan 8.270 nan 0.000 0.459 287 P HA -0.204 nan 4.420 nan 0.000 0.216 287 P C 0.241 177.525 177.300 -0.027 0.000 1.153 287 P CA 1.412 64.510 63.100 -0.002 0.000 0.858 287 P CB 0.274 31.934 31.700 -0.067 0.000 0.789 288 E N -2.055 118.068 120.200 -0.128 0.000 2.338 288 E HA -0.165 4.385 4.350 0.333 0.000 0.197 288 E C 1.512 178.001 176.600 -0.185 0.000 1.007 288 E CA 0.978 57.247 56.400 -0.218 0.000 0.849 288 E CB -0.906 28.607 29.700 -0.313 0.000 0.774 288 E HN 0.505 nan 8.360 nan 0.000 0.506 289 H N -0.351 118.768 119.070 0.082 0.000 2.551 289 H HA 0.216 4.976 4.556 0.339 0.000 0.271 289 H C 0.398 175.795 175.328 0.114 0.000 0.984 289 H CA -0.067 56.038 56.048 0.094 0.000 1.164 289 H CB 0.209 30.016 29.762 0.074 0.000 1.437 289 H HN 0.138 nan 8.280 nan 0.000 0.550 290 L N 1.596 122.980 121.223 0.269 0.000 2.452 290 L HA 0.127 4.667 4.340 0.333 0.000 0.267 290 L C 0.226 177.268 176.870 0.287 0.000 1.188 290 L CA -0.087 54.903 54.840 0.250 0.000 0.821 290 L CB 0.854 43.090 42.059 0.295 0.000 1.102 290 L HN -0.068 nan 8.230 nan 0.000 0.470 291 L N 3.396 124.700 121.223 0.135 0.000 2.344 291 L HA 0.341 4.881 4.340 0.333 0.000 0.272 291 L C -1.240 175.647 176.870 0.028 0.000 1.035 291 L CA -1.635 53.272 54.840 0.111 0.000 0.807 291 L CB 1.228 43.317 42.059 0.050 0.000 1.237 291 L HN 0.437 nan 8.230 nan 0.000 0.442 292 P HA -0.272 nan 4.420 nan 0.000 0.218 292 P C 0.860 178.073 177.300 -0.144 0.000 1.146 292 P CA 1.890 65.003 63.100 0.021 0.000 0.820 292 P CB 0.460 32.204 31.700 0.073 0.000 0.778 293 S N -2.281 113.347 115.700 -0.120 0.000 1.513 293 S HA -0.122 4.548 4.470 0.333 0.000 0.248 293 S C 1.078 175.620 174.600 -0.098 0.000 0.861 293 S CA 0.977 59.086 58.200 -0.151 0.000 1.179 293 S CB -2.429 60.614 63.200 -0.262 0.000 1.374 293 S HN 0.062 nan 8.310 nan 0.000 0.512 294 D N 1.141 121.498 120.400 -0.071 0.000 2.228 294 D HA 0.048 4.888 4.640 0.333 0.000 0.203 294 D C 0.686 176.966 176.300 -0.033 0.000 0.988 294 D CA 1.384 55.358 54.000 -0.044 0.000 0.864 294 D CB -0.318 40.469 40.800 -0.022 0.000 0.928 294 D HN 0.585 nan 8.370 nan 0.000 0.469 295 I N 1.082 121.634 120.570 -0.029 0.000 2.269 295 I HA 0.207 4.577 4.170 0.333 0.000 0.293 295 I C 1.005 177.104 176.117 -0.030 0.000 1.106 295 I CA -0.519 60.770 61.300 -0.019 0.000 1.248 295 I CB 0.607 38.603 38.000 -0.006 0.000 1.444 295 I HN -0.160 nan 8.210 nan 0.000 0.497 296 A N 4.113 126.916 122.820 -0.028 0.000 2.464 296 A HA 0.131 4.651 4.320 0.333 0.000 0.274 296 A C 0.083 177.654 177.584 -0.023 0.000 1.633 296 A CA 0.062 52.080 52.037 -0.030 0.000 1.015 296 A CB -0.416 18.569 19.000 -0.024 0.000 1.454 296 A HN 0.753 nan 8.150 nan 0.000 0.665 297 D N -2.342 118.048 120.400 -0.016 0.000 4.478 297 D HA 0.096 4.935 4.640 0.333 0.000 0.238 297 D C -0.466 175.827 176.300 -0.013 0.000 1.056 297 D CA 1.221 55.216 54.000 -0.008 0.000 1.245 297 D CB -1.483 39.316 40.800 -0.002 0.000 0.794 297 D HN 1.568 nan 8.370 nan 0.000 0.394 298 V N 1.134 121.040 119.914 -0.013 0.000 4.190 298 V HA -0.261 4.059 4.120 0.333 0.000 0.437 298 V C 0.149 176.225 176.094 -0.030 0.000 0.680 298 V CA 0.612 62.902 62.300 -0.018 0.000 1.799 298 V CB -0.905 30.911 31.823 -0.011 0.000 2.188 298 V HN 0.573 nan 8.190 nan 0.000 0.488 299 I N 5.076 125.624 120.570 -0.037 0.000 2.603 299 I HA 0.682 5.052 4.170 0.333 0.000 0.300 299 I C 0.108 176.194 176.117 -0.051 0.000 1.017 299 I CA -0.791 60.476 61.300 -0.056 0.000 1.098 299 I CB 2.018 39.979 38.000 -0.065 0.000 1.279 299 I HN 0.445 nan 8.210 nan 0.000 0.437 300 L N 4.273 125.457 121.223 -0.064 0.000 2.381 300 L HA 0.537 5.077 4.340 0.333 0.000 0.274 300 L C -0.277 176.557 176.870 -0.060 0.000 0.988 300 L CA -0.502 54.309 54.840 -0.047 0.000 0.824 300 L CB 2.374 44.413 42.059 -0.032 0.000 1.263 300 L HN 0.608 nan 8.230 nan 0.000 0.410 301 E N 1.651 121.827 120.200 -0.040 0.000 2.256 301 E HA 0.809 5.359 4.350 0.333 0.000 0.267 301 E C -0.780 175.822 176.600 0.004 0.000 0.892 301 E CA -0.513 55.867 56.400 -0.035 0.000 0.775 301 E CB 2.657 32.331 29.700 -0.043 0.000 1.207 301 E HN 0.722 nan 8.360 nan 0.000 0.420 302 G N 1.999 110.820 108.800 0.035 0.000 2.554 302 G HA2 0.186 4.345 3.960 0.333 0.000 0.306 302 G HA3 0.186 4.345 3.960 0.333 0.000 0.306 302 G C -1.571 173.372 174.900 0.073 0.000 1.320 302 G CA -0.735 44.395 45.100 0.049 0.000 0.800 302 G HN 0.537 nan 8.290 nan 0.000 0.481 303 E N 0.056 120.293 120.200 0.063 0.000 2.156 303 E HA 0.500 5.050 4.350 0.333 0.000 0.279 303 E C -0.368 176.270 176.600 0.063 0.000 0.965 303 E CA -0.603 55.834 56.400 0.061 0.000 0.789 303 E CB 1.702 31.428 29.700 0.042 0.000 1.098 303 E HN 0.242 nan 8.360 nan 0.000 0.397 304 V N 5.361 125.311 119.914 0.060 0.000 2.493 304 V HA -0.072 4.248 4.120 0.333 0.000 0.292 304 V C 0.952 177.063 176.094 0.028 0.000 1.016 304 V CA 0.189 62.510 62.300 0.035 0.000 1.097 304 V CB 0.974 32.795 31.823 -0.004 0.000 0.947 304 V HN 0.795 nan 8.190 nan 0.000 0.479 305 Q N 3.616 123.441 119.800 0.042 0.000 2.304 305 Q HA 0.263 4.803 4.340 0.333 0.000 0.204 305 Q C 0.040 176.033 176.000 -0.011 0.000 0.936 305 Q CA 0.764 56.585 55.803 0.029 0.000 0.878 305 Q CB 0.874 29.647 28.738 0.059 0.000 0.983 305 Q HN 0.623 nan 8.270 nan 0.000 0.516 306 V N 0.324 120.227 119.914 -0.018 0.000 2.971 306 V HA 0.506 4.826 4.120 0.333 0.000 0.309 306 V C -0.880 175.162 176.094 -0.087 0.000 1.130 306 V CA -0.877 61.353 62.300 -0.116 0.000 0.964 306 V CB 2.713 34.328 31.823 -0.347 0.000 1.029 306 V HN -0.204 nan 8.190 nan 0.000 0.427 307 V N 2.620 122.476 119.914 -0.097 0.000 2.482 307 V HA 0.457 4.777 4.120 0.333 0.000 0.295 307 V C -0.534 175.513 176.094 -0.078 0.000 1.026 307 V CA -0.526 61.728 62.300 -0.076 0.000 0.856 307 V CB 1.851 33.629 31.823 -0.075 0.000 1.001 307 V HN 0.959 nan 8.190 nan 0.000 0.424 308 E N 4.013 124.175 120.200 -0.063 0.000 2.102 308 E HA 0.358 4.908 4.350 0.333 0.000 0.263 308 E C -0.818 175.753 176.600 -0.049 0.000 0.894 308 E CA -0.687 55.678 56.400 -0.059 0.000 0.746 308 E CB 1.370 31.038 29.700 -0.053 0.000 1.129 308 E HN 0.517 nan 8.360 nan 0.000 0.416 309 Q N 2.927 122.700 119.800 -0.045 0.000 2.295 309 Q HA 0.199 4.739 4.340 0.333 0.000 0.259 309 Q C 0.460 176.438 176.000 -0.036 0.000 0.976 309 Q CA 0.195 55.975 55.803 -0.039 0.000 0.923 309 Q CB 1.173 29.891 28.738 -0.033 0.000 1.185 309 Q HN 0.637 nan 8.270 nan 0.000 0.410 310 L N 0.529 121.730 121.223 -0.037 0.000 3.069 310 L HA 0.238 4.778 4.340 0.333 0.000 0.271 310 L C 1.214 178.065 176.870 -0.031 0.000 1.201 310 L CA 0.196 55.016 54.840 -0.034 0.000 1.015 310 L CB 0.285 42.321 42.059 -0.038 0.000 1.371 310 L HN 0.914 nan 8.230 nan 0.000 0.574 311 G N 2.237 111.020 108.800 -0.029 0.000 4.039 311 G HA2 -0.437 3.723 3.960 0.333 0.000 0.220 311 G HA3 -0.437 3.723 3.960 0.333 0.000 0.220 311 G C 1.049 175.934 174.900 -0.026 0.000 1.391 311 G CA 0.678 45.763 45.100 -0.024 0.000 0.920 311 G HN 0.509 nan 8.290 nan 0.000 0.599 312 N N 2.683 121.364 118.700 -0.031 0.000 2.354 312 N HA 0.075 5.015 4.740 0.333 0.000 0.179 312 N C 0.789 176.274 175.510 -0.043 0.000 1.021 312 N CA 1.900 54.929 53.050 -0.034 0.000 0.887 312 N CB 0.028 38.493 38.487 -0.036 0.000 0.974 312 N HN 0.923 nan 8.380 nan 0.000 0.437 313 E N -1.167 119.004 120.200 -0.050 0.000 2.449 313 E HA 0.427 4.977 4.350 0.333 0.000 0.278 313 E C -1.617 174.943 176.600 -0.067 0.000 1.059 313 E CA -0.937 55.423 56.400 -0.066 0.000 0.854 313 E CB 1.257 30.906 29.700 -0.085 0.000 1.465 313 E HN -0.124 nan 8.360 nan 0.000 0.462 314 T N 1.074 115.574 114.554 -0.089 0.000 2.879 314 T HA 0.311 4.861 4.350 0.333 0.000 0.290 314 T C -0.977 173.657 174.700 -0.109 0.000 0.993 314 T CA -0.672 61.378 62.100 -0.083 0.000 0.975 314 T CB 1.420 70.246 68.868 -0.070 0.000 0.981 314 T HN 0.362 nan 8.240 nan 0.000 0.439 315 Q N 2.381 122.142 119.800 -0.065 0.000 2.314 315 Q HA 0.535 5.075 4.340 0.333 0.000 0.259 315 Q C -0.924 175.102 176.000 0.043 0.000 0.951 315 Q CA -0.690 55.097 55.803 -0.027 0.000 0.909 315 Q CB 1.184 29.935 28.738 0.022 0.000 1.236 315 Q HN 0.510 nan 8.270 nan 0.000 0.444 316 I N 2.381 122.987 120.570 0.060 0.000 2.362 316 I HA 0.192 4.561 4.170 0.333 0.000 0.289 316 I C -0.229 175.993 176.117 0.174 0.000 0.994 316 I CA -0.302 61.038 61.300 0.067 0.000 1.158 316 I CB 1.089 39.030 38.000 -0.098 0.000 1.315 316 I HN 0.467 nan 8.210 nan 0.000 0.451 317 H N 6.587 125.644 119.070 -0.022 0.000 2.552 317 H HA 0.547 5.308 4.556 0.342 0.000 0.311 317 H C -0.786 174.548 175.328 0.010 0.000 1.071 317 H CA -0.632 55.419 56.048 0.005 0.000 1.307 317 H CB 1.455 31.215 29.762 -0.003 0.000 1.416 317 H HN 0.334 nan 8.280 nan 0.000 0.464 318 I N 2.674 123.306 120.570 0.102 0.000 2.569 318 I HA 0.075 4.445 4.170 0.333 0.000 0.296 318 I C -0.070 176.088 176.117 0.068 0.000 1.028 318 I CA -0.761 60.592 61.300 0.088 0.000 1.082 318 I CB 1.943 40.005 38.000 0.104 0.000 1.264 318 I HN 0.412 nan 8.210 nan 0.000 0.429 319 Q N 4.476 124.313 119.800 0.063 0.000 2.398 319 Q HA 0.444 4.984 4.340 0.333 0.000 0.251 319 Q C -1.063 174.962 176.000 0.041 0.000 0.999 319 Q CA -0.698 55.133 55.803 0.048 0.000 0.874 319 Q CB 1.616 30.381 28.738 0.044 0.000 1.215 319 Q HN 0.451 nan 8.270 nan 0.000 0.470 320 I N 5.930 126.520 120.570 0.034 0.000 2.312 320 I HA 0.132 4.502 4.170 0.333 0.000 0.291 320 I C -1.474 174.655 176.117 0.021 0.000 1.031 320 I CA -2.013 59.302 61.300 0.025 0.000 1.293 320 I CB 1.290 39.303 38.000 0.020 0.000 1.403 320 I HN 0.380 nan 8.210 nan 0.000 0.484 321 P HA -0.197 nan 4.420 nan 0.000 0.219 321 P C 0.210 177.518 177.300 0.013 0.000 1.161 321 P CA 1.338 64.447 63.100 0.014 0.000 0.909 321 P CB 0.026 31.732 31.700 0.010 0.000 0.793 322 S N 0.327 116.034 115.700 0.011 0.000 3.232 322 S HA 0.144 4.814 4.470 0.333 0.000 0.298 322 S C 0.161 174.770 174.600 0.015 0.000 1.159 322 S CA 0.213 58.419 58.200 0.010 0.000 1.240 322 S CB -1.762 61.442 63.200 0.006 0.000 1.584 322 S HN 0.032 nan 8.310 nan 0.000 0.558 323 I N 1.591 122.170 120.570 0.016 0.000 8.455 323 I HA -0.281 4.089 4.170 0.333 0.000 0.126 323 I C 1.375 177.506 176.117 0.024 0.000 1.855 323 I CA 0.036 61.348 61.300 0.020 0.000 2.041 323 I CB -0.385 37.629 38.000 0.022 0.000 3.831 323 I HN 0.601 nan 8.210 nan 0.000 0.170 324 R N 5.581 126.095 120.500 0.024 0.000 2.635 324 R HA -0.291 4.249 4.340 0.333 0.000 0.184 324 R C 0.840 177.160 176.300 0.033 0.000 0.847 324 R CA 2.082 58.199 56.100 0.028 0.000 0.772 324 R CB -0.666 29.651 30.300 0.028 0.000 0.660 324 R HN 0.850 nan 8.270 nan 0.000 0.460 325 Q N -0.941 118.880 119.800 0.036 0.000 2.258 325 Q HA -0.198 4.342 4.340 0.333 0.000 0.167 325 Q C -0.542 175.481 176.000 0.037 0.000 0.586 325 Q CA 1.288 57.116 55.803 0.042 0.000 1.398 325 Q CB -2.328 26.438 28.738 0.046 0.000 1.415 325 Q HN 0.704 nan 8.270 nan 0.000 0.903 326 N N 0.672 119.395 118.700 0.038 0.000 1.403 326 N HA -0.161 4.779 4.740 0.333 0.000 0.406 326 N C -0.611 174.892 175.510 -0.012 0.000 1.163 326 N CA 0.590 53.657 53.050 0.027 0.000 0.746 326 N CB 0.052 38.568 38.487 0.049 0.000 0.945 326 N HN 0.264 nan 8.380 nan 0.000 0.558 327 L N 4.424 125.642 121.223 -0.007 0.000 2.313 327 L HA 0.316 4.856 4.340 0.333 0.000 0.282 327 L C -0.512 176.318 176.870 -0.068 0.000 1.092 327 L CA -0.275 54.550 54.840 -0.025 0.000 0.831 327 L CB 1.075 43.141 42.059 0.012 0.000 1.159 327 L HN 0.312 nan 8.230 nan 0.000 0.442 328 V N 6.323 126.151 119.914 -0.142 0.000 2.432 328 V HA 0.217 4.537 4.120 0.333 0.000 0.275 328 V C -0.636 175.461 176.094 0.005 0.000 1.043 328 V CA -0.493 61.674 62.300 -0.222 0.000 0.925 328 V CB 0.929 32.525 31.823 -0.377 0.000 0.985 328 V HN 0.621 nan 8.190 nan 0.000 0.466 329 Y N 5.993 126.242 120.300 -0.084 0.000 2.429 329 Y HA 0.679 5.231 4.550 0.002 0.000 0.342 329 Y C -0.019 175.869 175.900 -0.020 0.000 1.004 329 Y CA -1.332 56.757 58.100 -0.018 0.000 1.075 329 Y CB 1.532 40.025 38.460 0.056 0.000 1.214 329 Y HN 0.555 nan 8.280 nan 0.000 0.455 330 R N 4.987 125.086 120.500 -0.668 0.000 2.409 330 R HA 0.333 4.873 4.340 0.333 0.000 0.313 330 R C -1.321 174.476 176.300 -0.837 0.000 0.953 330 R CA -0.812 54.933 56.100 -0.591 0.000 0.849 330 R CB 1.924 32.045 30.300 -0.299 0.000 1.171 330 R HN 0.728 nan 8.270 nan 0.000 0.458 331 Q N 2.270 121.685 119.800 -0.642 0.000 2.365 331 Q HA 0.247 4.787 4.340 0.333 0.000 0.269 331 Q C -0.887 175.010 176.000 -0.171 0.000 1.061 331 Q CA -0.782 54.800 55.803 -0.368 0.000 0.816 331 Q CB 1.926 30.574 28.738 -0.150 0.000 1.325 331 Q HN 0.506 nan 8.270 nan 0.000 0.446 332 N N 2.608 121.250 118.700 -0.097 0.000 2.482 332 N HA 0.020 4.960 4.740 0.333 0.000 0.260 332 N C -0.374 175.115 175.510 -0.036 0.000 1.236 332 N CA 0.717 53.728 53.050 -0.064 0.000 0.938 332 N CB 0.585 39.046 38.487 -0.043 0.000 1.128 332 N HN 0.866 nan 8.380 nan 0.000 0.448 333 D N -0.130 120.249 120.400 -0.035 0.000 3.856 333 D HA -0.249 4.591 4.640 0.333 0.000 0.276 333 D C -1.134 175.153 176.300 -0.021 0.000 2.073 333 D CA 0.673 54.660 54.000 -0.022 0.000 1.163 333 D CB -0.298 40.498 40.800 -0.008 0.000 0.937 333 D HN 0.141 nan 8.370 nan 0.000 1.140 334 V N 0.323 120.231 119.914 -0.010 0.000 2.498 334 V HA 0.517 4.836 4.120 0.333 0.000 0.279 334 V C 0.242 176.339 176.094 0.006 0.000 1.048 334 V CA -0.455 61.840 62.300 -0.009 0.000 0.967 334 V CB 1.279 33.099 31.823 -0.006 0.000 0.988 334 V HN 0.408 nan 8.190 nan 0.000 0.473 335 V N 6.303 126.218 119.914 0.001 0.000 2.483 335 V HA 0.383 4.703 4.120 0.333 0.000 0.297 335 V C -0.180 175.917 176.094 0.006 0.000 1.027 335 V CA -0.507 61.808 62.300 0.024 0.000 0.855 335 V CB 1.755 33.596 31.823 0.031 0.000 0.995 335 V HN 0.655 nan 8.190 nan 0.000 0.424 336 L N 6.590 127.830 121.223 0.027 0.000 2.356 336 L HA 0.513 5.053 4.340 0.333 0.000 0.282 336 L C -0.316 176.567 176.870 0.022 0.000 1.132 336 L CA -0.249 54.602 54.840 0.017 0.000 0.923 336 L CB 0.614 42.687 42.059 0.024 0.000 1.278 336 L HN 0.621 nan 8.230 nan 0.000 0.436 337 V N -0.903 119.001 119.914 -0.016 0.000 2.841 337 V HA 0.615 4.935 4.120 0.333 0.000 0.310 337 V C -0.529 175.546 176.094 -0.031 0.000 1.090 337 V CA -0.904 61.384 62.300 -0.020 0.000 0.930 337 V CB 2.378 34.135 31.823 -0.109 0.000 1.014 337 V HN 0.330 nan 8.190 nan 0.000 0.425 338 E N 1.681 121.875 120.200 -0.009 0.000 2.214 338 E HA 0.419 4.969 4.350 0.333 0.000 0.274 338 E C -0.383 176.210 176.600 -0.012 0.000 0.977 338 E CA -0.618 55.775 56.400 -0.011 0.000 0.827 338 E CB 1.797 31.498 29.700 0.001 0.000 1.130 338 E HN 0.854 nan 8.360 nan 0.000 0.394 339 E N 0.087 120.277 120.200 -0.017 0.000 2.437 339 E HA 0.209 4.758 4.350 0.333 0.000 0.263 339 E C 0.789 177.390 176.600 0.003 0.000 1.030 339 E CA 0.651 57.044 56.400 -0.012 0.000 0.934 339 E CB 0.260 29.949 29.700 -0.018 0.000 0.943 339 E HN 0.822 nan 8.360 nan 0.000 0.444 340 G N 1.253 110.060 108.800 0.012 0.000 2.241 340 G HA2 -0.325 3.835 3.960 0.333 0.000 0.244 340 G HA3 -0.325 3.835 3.960 0.333 0.000 0.244 340 G C 0.454 175.372 174.900 0.031 0.000 0.998 340 G CA 0.012 45.124 45.100 0.019 0.000 0.621 340 G HN 0.860 nan 8.290 nan 0.000 0.519 341 A N 0.475 123.317 122.820 0.037 0.000 2.366 341 A HA 0.658 5.178 4.320 0.333 0.000 0.249 341 A C 0.916 178.552 177.584 0.087 0.000 1.084 341 A CA 1.244 53.317 52.037 0.060 0.000 0.794 341 A CB 0.175 19.217 19.000 0.071 0.000 1.034 341 A HN 1.709 nan 8.150 nan 0.000 0.491 342 T N -0.581 114.030 114.554 0.094 0.000 2.733 342 T HA 0.573 5.123 4.350 0.333 0.000 0.294 342 T C -0.737 174.060 174.700 0.162 0.000 0.956 342 T CA -0.215 61.944 62.100 0.099 0.000 0.987 342 T CB 0.181 69.079 68.868 0.050 0.000 0.920 342 T HN 0.439 nan 8.240 nan 0.000 0.470 343 F N 2.335 122.275 119.950 -0.015 0.000 2.522 343 F HA 0.749 5.457 4.527 0.301 0.000 0.324 343 F C -0.384 175.380 175.800 -0.061 0.000 1.077 343 F CA -0.902 57.078 58.000 -0.032 0.000 0.944 343 F CB 1.686 40.672 39.000 -0.023 0.000 1.175 343 F HN 0.931 nan 8.300 nan 0.000 0.468 344 A N 4.701 127.169 122.820 -0.587 0.000 2.413 344 A HA 0.891 5.411 4.320 0.333 0.000 0.307 344 A C -1.553 175.683 177.584 -0.580 0.000 1.087 344 A CA -0.544 51.249 52.037 -0.407 0.000 0.750 344 A CB 1.274 20.099 19.000 -0.291 0.000 1.296 344 A HN 0.741 nan 8.150 nan 0.000 0.423 345 I N -1.641 118.726 120.570 -0.339 0.000 3.095 345 I HA 0.825 5.195 4.170 0.333 0.000 0.310 345 I C 0.181 176.186 176.117 -0.187 0.000 1.196 345 I CA -0.913 60.182 61.300 -0.342 0.000 0.985 345 I CB 1.604 39.363 38.000 -0.402 0.000 1.250 345 I HN 0.739 nan 8.210 nan 0.000 0.446 346 G N 2.482 111.201 108.800 -0.135 0.000 2.389 346 G HA2 0.632 4.792 3.960 0.333 0.000 0.328 346 G HA3 0.632 4.792 3.960 0.333 0.000 0.328 346 G C -1.267 173.617 174.900 -0.027 0.000 1.133 346 G CA -0.807 44.253 45.100 -0.067 0.000 0.891 346 G HN 0.780 nan 8.290 nan 0.000 0.485 347 L N 3.976 125.188 121.223 -0.018 0.000 2.277 347 L HA 0.388 4.928 4.340 0.333 0.000 0.284 347 L C -2.024 174.844 176.870 -0.003 0.000 1.028 347 L CA -2.098 52.741 54.840 -0.001 0.000 0.835 347 L CB 2.337 44.393 42.059 -0.005 0.000 1.215 347 L HN 0.315 nan 8.230 nan 0.000 0.425 348 P HA 0.287 nan 4.420 nan 0.000 0.291 348 P C -2.482 174.786 177.300 -0.053 0.000 1.340 348 P CA -1.735 61.351 63.100 -0.023 0.000 0.799 348 P CB 1.411 33.103 31.700 -0.013 0.000 0.917 349 P HA -0.216 nan 4.420 nan 0.000 0.215 349 P C 1.080 178.310 177.300 -0.116 0.000 1.157 349 P CA 1.792 64.862 63.100 -0.051 0.000 0.874 349 P CB -0.053 31.641 31.700 -0.010 0.000 0.790 350 E N -1.189 118.893 120.200 -0.197 0.000 2.396 350 E HA -0.167 4.383 4.350 0.333 0.000 0.200 350 E C 1.751 178.111 176.600 -0.400 0.000 1.023 350 E CA 0.934 57.100 56.400 -0.391 0.000 0.857 350 E CB -0.579 28.650 29.700 -0.786 0.000 0.775 350 E HN 0.105 nan 8.360 nan 0.000 0.525 351 R N -0.452 119.881 120.500 -0.278 0.000 2.334 351 R HA 0.241 4.781 4.340 0.333 0.000 0.212 351 R C -0.359 175.794 176.300 -0.245 0.000 0.897 351 R CA -0.164 55.761 56.100 -0.291 0.000 1.056 351 R CB -0.035 30.122 30.300 -0.238 0.000 1.046 351 R HN 0.137 nan 8.270 nan 0.000 0.513 352 C N 0.557 119.756 119.300 -0.169 0.000 2.595 352 C HA 0.322 4.982 4.460 0.333 0.000 0.384 352 C C 0.187 175.046 174.990 -0.219 0.000 1.289 352 C CA -0.448 58.518 59.018 -0.086 0.000 2.372 352 C CB 0.119 27.837 27.740 -0.036 0.000 2.593 352 C HN 0.462 nan 8.230 nan 0.000 0.639 353 H N 0.114 119.131 119.070 -0.087 0.000 2.670 353 H HA 0.778 5.532 4.556 0.330 0.000 0.361 353 H C -0.809 174.321 175.328 -0.329 0.000 1.169 353 H CA -0.592 55.328 56.048 -0.213 0.000 1.198 353 H CB 1.160 30.837 29.762 -0.143 0.000 1.700 353 H HN 0.440 nan 8.280 nan 0.000 0.542 354 L N 2.523 123.448 121.223 -0.496 0.000 2.439 354 L HA 0.472 5.012 4.340 0.333 0.000 0.270 354 L C -1.889 174.618 176.870 -0.606 0.000 0.972 354 L CA -0.373 54.241 54.840 -0.377 0.000 0.836 354 L CB 0.620 42.588 42.059 -0.151 0.000 1.255 354 L HN 0.482 nan 8.230 nan 0.000 0.404 355 F N 3.322 123.342 119.950 0.116 0.000 2.495 355 F HA 0.646 5.370 4.527 0.327 0.000 0.327 355 F C 0.607 176.435 175.800 0.046 0.000 1.103 355 F CA -0.790 57.258 58.000 0.080 0.000 0.949 355 F CB 1.416 40.454 39.000 0.063 0.000 1.142 355 F HN 0.303 nan 8.300 nan 0.000 0.457 356 R N 0.966 121.577 120.500 0.186 0.000 2.726 356 R HA 0.084 4.624 4.340 0.333 0.000 0.272 356 R C 1.302 177.665 176.300 0.106 0.000 1.097 356 R CA -0.510 55.656 56.100 0.110 0.000 1.198 356 R CB 0.484 30.832 30.300 0.080 0.000 1.114 356 R HN 0.815 nan 8.270 nan 0.000 0.550 357 E N 1.115 121.354 120.200 0.064 0.000 2.160 357 E HA -0.233 4.317 4.350 0.333 0.000 0.195 357 E C 0.802 177.421 176.600 0.033 0.000 0.991 357 E CA 1.712 58.137 56.400 0.041 0.000 0.810 357 E CB 0.047 29.763 29.700 0.026 0.000 0.742 357 E HN 0.610 nan 8.360 nan 0.000 0.466 358 D N -1.242 119.183 120.400 0.042 0.000 2.363 358 D HA -0.017 4.823 4.640 0.333 0.000 0.226 358 D C 1.302 177.626 176.300 0.041 0.000 1.020 358 D CA 0.893 54.913 54.000 0.032 0.000 0.892 358 D CB 0.057 40.876 40.800 0.033 0.000 0.900 358 D HN 0.343 nan 8.370 nan 0.000 0.531 359 G N 0.321 109.159 108.800 0.063 0.000 2.205 359 G HA2 -0.305 3.854 3.960 0.333 0.000 0.261 359 G HA3 -0.305 3.854 3.960 0.333 0.000 0.261 359 G C 0.570 175.575 174.900 0.175 0.000 0.980 359 G CA 0.720 45.858 45.100 0.065 0.000 0.632 359 G HN 0.806 nan 8.290 nan 0.000 0.533 360 T N -0.807 113.853 114.554 0.177 0.000 2.860 360 T HA 0.714 5.264 4.350 0.333 0.000 0.299 360 T C 0.498 175.377 174.700 0.299 0.000 1.045 360 T CA 0.558 62.785 62.100 0.211 0.000 1.071 360 T CB 1.985 70.928 68.868 0.124 0.000 0.985 360 T HN 1.729 nan 8.240 nan 0.000 0.537 361 A N 0.836 123.828 122.820 0.286 0.000 2.303 361 A HA 0.546 5.066 4.320 0.333 0.000 0.317 361 A C 0.283 177.882 177.584 0.025 0.000 1.149 361 A CA -0.947 51.167 52.037 0.129 0.000 0.822 361 A CB 0.304 19.418 19.000 0.190 0.000 1.131 361 A HN 1.041 nan 8.150 nan 0.000 0.493 362 C N 2.610 121.866 119.300 -0.074 0.000 2.192 362 C HA 0.427 5.087 4.460 0.333 0.000 0.337 362 C C 0.969 175.940 174.990 -0.031 0.000 1.103 362 C CA -0.568 58.428 59.018 -0.037 0.000 1.581 362 C CB -1.559 26.151 27.740 -0.050 0.000 2.070 362 C HN 0.967 nan 8.230 nan 0.000 0.485 363 R N 3.174 123.675 120.500 0.002 0.000 2.560 363 R HA -0.119 4.421 4.340 0.333 0.000 0.296 363 R C 0.212 176.510 176.300 -0.003 0.000 0.873 363 R CA 1.033 57.136 56.100 0.004 0.000 1.140 363 R CB 0.010 30.292 30.300 -0.030 0.000 0.875 363 R HN 0.672 nan 8.270 nan 0.000 0.419 364 R N 4.504 125.038 120.500 0.056 0.000 2.491 364 R HA 0.067 4.607 4.340 0.333 0.000 0.283 364 R C 0.668 176.996 176.300 0.045 0.000 1.072 364 R CA -0.114 56.033 56.100 0.078 0.000 1.048 364 R CB 0.466 30.882 30.300 0.193 0.000 0.983 364 R HN 0.668 nan 8.270 nan 0.000 0.450 365 L N 1.235 122.484 121.223 0.045 0.000 2.513 365 L HA 0.095 4.635 4.340 0.333 0.000 0.222 365 L C 0.716 177.617 176.870 0.052 0.000 1.096 365 L CA -0.083 54.766 54.840 0.014 0.000 0.857 365 L CB -0.143 41.920 42.059 0.007 0.000 1.026 365 L HN 0.597 nan 8.230 nan 0.000 0.469 366 H N 2.591 121.671 119.070 0.017 0.000 2.975 366 H HA 0.082 4.839 4.556 0.335 0.000 0.303 366 H C -0.017 175.345 175.328 0.056 0.000 1.023 366 H CA -0.205 55.849 56.048 0.011 0.000 1.473 366 H CB 0.470 30.217 29.762 -0.024 0.000 1.498 366 H HN -0.181 nan 8.280 nan 0.000 0.549 367 K N 4.972 125.102 120.400 -0.450 0.000 2.412 367 K HA 0.085 4.605 4.320 0.333 0.000 0.281 367 K C -0.058 176.303 176.600 -0.399 0.000 1.027 367 K CA 0.008 56.120 56.287 -0.291 0.000 0.989 367 K CB 0.586 32.949 32.500 -0.227 0.000 0.935 367 K HN 0.705 nan 8.250 nan 0.000 0.475 368 E N 3.465 123.559 120.200 -0.176 0.000 2.195 368 E HA 0.331 4.881 4.350 0.333 0.000 0.271 368 E C -2.214 174.282 176.600 -0.173 0.000 0.923 368 E CA -2.009 54.191 56.400 -0.333 0.000 0.790 368 E CB 1.664 30.787 29.700 -0.962 0.000 1.155 368 E HN 0.351 nan 8.360 nan 0.000 0.402 369 P HA 0.117 nan 4.420 nan 0.000 0.271 369 P C 0.548 177.915 177.300 0.113 0.000 1.216 369 P CA 0.257 63.373 63.100 0.026 0.000 0.771 369 P CB 0.802 32.531 31.700 0.049 0.000 0.864 370 G N 1.135 109.997 108.800 0.103 0.000 2.176 370 G HA2 -0.153 4.007 3.960 0.333 0.000 0.232 370 G HA3 -0.153 4.007 3.960 0.333 0.000 0.232 370 G C -0.280 174.713 174.900 0.154 0.000 0.986 370 G CA -0.063 45.113 45.100 0.128 0.000 0.643 370 G HN 0.580 nan 8.290 nan 0.000 0.522 371 V N 0.961 120.973 119.914 0.164 0.000 2.531 371 V HA 0.812 5.132 4.120 0.333 0.000 0.301 371 V C 0.695 176.863 176.094 0.123 0.000 1.034 371 V CA -0.632 61.782 62.300 0.191 0.000 0.865 371 V CB 1.492 33.514 31.823 0.331 0.000 0.995 371 V HN 1.247 nan 8.190 nan 0.000 0.424 372 A N 3.888 126.766 122.820 0.097 0.000 2.520 372 A HA 0.592 5.112 4.320 0.333 0.000 0.245 372 A C 0.735 178.342 177.584 0.037 0.000 1.072 372 A CA 0.781 52.852 52.037 0.058 0.000 0.761 372 A CB -0.249 18.782 19.000 0.051 0.000 1.004 372 A HN 1.476 nan 8.150 nan 0.000 0.499 373 S N 0.000 115.706 115.700 0.010 0.000 2.498 373 S HA 0.000 4.670 4.470 0.333 0.000 0.327 373 S CA 0.000 58.186 58.200 -0.023 0.000 1.107 373 S CB 0.000 63.181 63.200 -0.031 0.000 0.593 373 S HN 0.000 nan 8.310 nan 0.000 0.517