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 2z1k_1_D DATA FIRST_RESID 2 DATA SEQUENCE AWYEGAFFYQ IFPDRFFRAG PPGRPAPAGP FEPWEAPPTL RGFKGGTLWG DATA SEQUENCE VAEKLPYLLD LGVEAIYLNP VFASTANHRY HTVDYFQVDP ILGGNEALRH DATA SEQUENCE LLEVAHAHGV RVILDGVFNH TGRGFFAFQH LXENGEQSPY RDWYHVKGFP DATA SEQUENCE LKAYTAHPNY EAWWGNPELP KLKVETPAVR EYLLAVAEHW IRFGVDGWRL DATA SEQUENCE DVPNEIPDPT FWREFRQRVK GANPEAYIVG EIWEEADFWL QGDXFDAVXN DATA SEQUENCE YPLARAVLGF VGGEALDRDL AAQTGLGRIE PLQALAFSHR LEDLFGRYRP DATA SEQUENCE EVVRAQXNLL TSHDTPRLLS LXRGSVERAR LALALLFLLP GNPTVYYGEE DATA SEQUENCE VGXAGGKDPE NRGGXVWEEA RWQKDLRETV KRLARLRKEH PALRTAPYLR DATA SEQUENCE IYAQDGHLAF ARGPYLAVVN ASPHPFRQDF PLHGVFPRGG RAVDLLSGEV DATA SEQUENCE cTPQGGRLcG PVLPPFSLAL WREA 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 0.000 177.319 177.584 -0.441 0.000 1.274 2 A CA 0.000 51.774 52.037 -0.438 0.000 0.836 2 A CB 0.000 18.909 19.000 -0.152 0.000 0.831 3 W N 1.480 122.624 121.300 -0.259 0.000 2.363 3 W HA -0.123 4.537 4.660 0.000 0.000 0.296 3 W C 1.395 177.841 176.519 -0.123 0.000 1.212 3 W CA 1.970 59.234 57.345 -0.136 0.000 1.260 3 W CB -1.182 28.253 29.460 -0.041 0.000 1.131 3 W HN 0.701 nan 8.180 nan 0.000 0.530 4 Y N 1.576 121.156 120.300 -1.199 0.000 2.506 4 Y HA 0.359 4.909 4.550 0.000 0.000 0.335 4 Y C 0.026 175.607 175.900 -0.533 0.000 1.218 4 Y CA -0.132 57.237 58.100 -1.218 0.000 1.260 4 Y CB -1.238 35.995 38.460 -2.045 0.000 1.085 4 Y HN -0.023 nan 8.280 nan 0.000 0.495 5 E N 1.035 121.032 120.200 -0.337 0.000 2.121 5 E HA 0.389 4.740 4.350 0.000 0.000 0.255 5 E C 0.554 177.127 176.600 -0.045 0.000 0.906 5 E CA -0.125 56.176 56.400 -0.164 0.000 0.745 5 E CB 0.886 30.464 29.700 -0.203 0.000 1.155 5 E HN 0.637 nan 8.360 nan 0.000 0.424 6 G N 2.457 111.266 108.800 0.015 0.000 2.176 6 G HA2 -0.283 3.677 3.960 0.000 0.000 0.232 6 G HA3 -0.283 3.677 3.960 0.000 0.000 0.232 6 G C 0.432 175.409 174.900 0.129 0.000 0.986 6 G CA -0.127 45.009 45.100 0.060 0.000 0.643 6 G HN 0.674 nan 8.290 nan 0.000 0.522 7 A N 0.189 123.111 122.820 0.170 0.000 2.407 7 A HA 0.589 4.909 4.320 0.000 0.000 0.248 7 A C 0.069 177.866 177.584 0.354 0.000 1.082 7 A CA -0.132 52.046 52.037 0.236 0.000 0.785 7 A CB 0.304 19.443 19.000 0.231 0.000 1.020 7 A HN 1.363 nan 8.150 nan 0.000 0.489 8 F N 3.165 123.200 119.950 0.142 0.000 2.404 8 F HA 0.540 5.067 4.527 0.000 0.000 0.359 8 F C -1.076 174.817 175.800 0.155 0.000 1.134 8 F CA -1.666 56.454 58.000 0.199 0.000 1.160 8 F CB -0.614 38.562 39.000 0.292 0.000 1.186 8 F HN 0.382 nan 8.300 nan 0.000 0.526 9 F N 6.087 126.302 119.950 0.442 0.000 2.379 9 F HA 0.333 4.861 4.527 0.000 0.000 0.332 9 F C -0.805 175.143 175.800 0.246 0.000 1.096 9 F CA -0.340 57.807 58.000 0.245 0.000 1.105 9 F CB 1.085 40.238 39.000 0.255 0.000 1.189 9 F HN 0.426 nan 8.300 nan 0.000 0.515 10 Y N 3.390 123.777 120.300 0.145 0.000 2.338 10 Y HA 0.276 4.826 4.550 0.000 0.000 0.333 10 Y C -0.621 175.377 175.900 0.164 0.000 0.968 10 Y CA -0.858 57.305 58.100 0.104 0.000 1.123 10 Y CB 1.175 39.559 38.460 -0.127 0.000 1.165 10 Y HN 0.552 nan 8.280 nan 0.000 0.452 11 Q N 6.634 126.406 119.800 -0.046 0.000 2.274 11 Q HA 0.581 4.921 4.340 0.000 0.000 0.256 11 Q C -1.539 174.349 176.000 -0.187 0.000 0.927 11 Q CA -0.432 55.344 55.803 -0.045 0.000 0.939 11 Q CB 0.840 29.661 28.738 0.138 0.000 1.201 11 Q HN 0.795 nan 8.270 nan 0.000 0.426 12 I N 3.778 124.199 120.570 -0.249 0.000 2.509 12 I HA 0.299 4.470 4.170 0.000 0.000 0.293 12 I C -0.973 174.970 176.117 -0.290 0.000 1.020 12 I CA -0.892 60.208 61.300 -0.333 0.000 1.088 12 I CB 1.566 39.280 38.000 -0.476 0.000 1.267 12 I HN 0.640 nan 8.210 nan 0.000 0.430 13 F N 8.644 128.301 119.950 -0.487 0.000 2.303 13 F HA 0.399 4.926 4.527 0.000 0.000 0.368 13 F C -1.720 173.904 175.800 -0.293 0.000 1.105 13 F CA -1.997 55.808 58.000 -0.326 0.000 1.153 13 F CB 0.903 39.792 39.000 -0.185 0.000 1.362 13 F HN 0.306 nan 8.300 nan 0.000 0.511 14 P HA -0.315 nan 4.420 nan 0.000 0.222 14 P C 1.148 178.449 177.300 0.001 0.000 1.159 14 P CA 1.934 64.936 63.100 -0.163 0.000 0.920 14 P CB 0.205 31.733 31.700 -0.286 0.000 0.793 15 D N -2.053 118.336 120.400 -0.019 0.000 2.310 15 D HA -0.118 4.522 4.640 0.000 0.000 0.212 15 D C 1.161 177.553 176.300 0.154 0.000 0.965 15 D CA 0.740 54.797 54.000 0.095 0.000 0.879 15 D CB -0.007 40.833 40.800 0.067 0.000 0.921 15 D HN -0.032 nan 8.370 nan 0.000 0.510 16 R N -0.711 119.894 120.500 0.176 0.000 2.577 16 R HA 0.135 4.475 4.340 0.000 0.000 0.344 16 R C 0.481 176.931 176.300 0.249 0.000 1.037 16 R CA -0.226 55.872 56.100 -0.003 0.000 1.102 16 R CB -0.382 29.871 30.300 -0.078 0.000 1.313 16 R HN 0.227 nan 8.270 nan 0.000 0.561 17 F N 0.143 120.272 119.950 0.298 0.000 2.287 17 F HA 0.325 4.853 4.527 0.000 0.000 0.276 17 F C -0.067 176.280 175.800 0.911 0.000 1.047 17 F CA 0.142 58.407 58.000 0.441 0.000 1.194 17 F CB 0.405 39.548 39.000 0.238 0.000 1.118 17 F HN -0.115 nan 8.300 nan 0.000 0.556 18 F N 1.026 121.237 119.950 0.436 0.000 2.622 18 F HA 0.362 4.889 4.527 0.000 0.000 0.318 18 F C -0.644 175.113 175.800 -0.071 0.000 1.135 18 F CA -1.267 56.727 58.000 -0.010 0.000 1.015 18 F CB 0.837 39.696 39.000 -0.235 0.000 1.275 18 F HN -0.144 nan 8.300 nan 0.000 0.457 19 R N 4.342 124.277 120.500 -0.943 0.000 2.254 19 R HA 0.872 5.213 4.340 0.000 0.000 0.318 19 R C -1.326 174.428 176.300 -0.909 0.000 1.031 19 R CA 0.017 55.695 56.100 -0.704 0.000 0.905 19 R CB 0.951 30.912 30.300 -0.565 0.000 1.050 19 R HN 0.945 nan 8.270 nan 0.000 0.456 20 A N 2.677 125.228 122.820 -0.448 0.000 2.522 20 A HA 0.593 4.913 4.320 0.000 0.000 0.291 20 A C -0.503 177.016 177.584 -0.109 0.000 1.039 20 A CA -0.283 51.558 52.037 -0.326 0.000 0.643 20 A CB 0.526 19.320 19.000 -0.343 0.000 1.310 20 A HN 1.199 nan 8.150 nan 0.000 0.436 21 G N -0.277 108.398 108.800 -0.209 0.000 2.860 21 G HA2 0.174 4.134 3.960 0.000 0.000 0.553 21 G HA3 0.174 4.134 3.960 0.000 0.000 0.553 21 G C -2.329 172.396 174.900 -0.292 0.000 1.439 21 G CA -0.123 44.709 45.100 -0.447 0.000 0.879 21 G HN 1.264 nan 8.290 nan 0.000 0.545 22 P HA 0.431 nan 4.420 nan 0.000 0.277 22 P C -2.454 174.932 177.300 0.142 0.000 1.240 22 P CA -1.186 61.850 63.100 -0.107 0.000 0.798 22 P CB 1.335 32.941 31.700 -0.156 0.000 0.979 23 P HA 0.209 nan 4.420 nan 0.000 0.281 23 P C 0.297 177.709 177.300 0.186 0.000 1.264 23 P CA -0.075 63.140 63.100 0.192 0.000 0.824 23 P CB 0.961 32.754 31.700 0.155 0.000 1.092 24 G N 0.784 109.689 108.800 0.176 0.000 2.508 24 G HA2 0.352 4.312 3.960 0.000 0.000 0.278 24 G HA3 0.352 4.312 3.960 0.000 0.000 0.278 24 G C -0.642 174.323 174.900 0.108 0.000 1.389 24 G CA -0.623 44.568 45.100 0.152 0.000 1.050 24 G HN 0.633 nan 8.290 nan 0.000 0.522 25 R N -0.230 120.327 120.500 0.094 0.000 2.562 25 R HA 0.472 4.812 4.340 0.000 0.000 0.298 25 R C -2.569 173.769 176.300 0.064 0.000 0.961 25 R CA -1.363 54.779 56.100 0.070 0.000 0.881 25 R CB 1.451 31.790 30.300 0.064 0.000 1.159 25 R HN 0.257 nan 8.270 nan 0.000 0.450 26 P HA 0.128 nan 4.420 nan 0.000 0.271 26 P C -1.140 176.181 177.300 0.035 0.000 1.226 26 P CA -0.205 62.915 63.100 0.034 0.000 0.765 26 P CB 1.284 32.998 31.700 0.022 0.000 0.835 27 A N 5.711 128.551 122.820 0.033 0.000 2.388 27 A HA 0.465 4.785 4.320 0.000 0.000 0.257 27 A C -1.659 175.929 177.584 0.007 0.000 1.095 27 A CA -0.969 51.091 52.037 0.037 0.000 0.791 27 A CB -0.777 18.245 19.000 0.036 0.000 1.029 27 A HN 0.464 nan 8.150 nan 0.000 0.489 28 P HA 0.448 nan 4.420 nan 0.000 0.272 28 P C -0.774 176.466 177.300 -0.101 0.000 1.230 28 P CA -0.103 62.953 63.100 -0.073 0.000 0.788 28 P CB 1.177 32.819 31.700 -0.098 0.000 0.949 29 A N 0.906 123.643 122.820 -0.137 0.000 2.522 29 A HA 0.701 5.021 4.320 0.000 0.000 0.285 29 A C -0.144 177.343 177.584 -0.162 0.000 1.198 29 A CA 0.003 51.968 52.037 -0.121 0.000 0.742 29 A CB 0.547 19.502 19.000 -0.075 0.000 1.176 29 A HN 0.885 nan 8.150 nan 0.000 0.444 30 G N 2.249 110.924 108.800 -0.208 0.000 2.301 30 G HA2 0.426 4.386 3.960 0.000 0.000 0.290 30 G HA3 0.426 4.386 3.960 0.000 0.000 0.290 30 G C -3.278 171.426 174.900 -0.326 0.000 1.669 30 G CA -0.794 44.178 45.100 -0.214 0.000 0.945 30 G HN 0.600 nan 8.290 nan 0.000 0.710 31 P HA 0.565 nan 4.420 nan 0.000 0.269 31 P C -0.449 176.720 177.300 -0.218 0.000 1.215 31 P CA -0.173 62.827 63.100 -0.167 0.000 0.780 31 P CB 0.296 31.975 31.700 -0.035 0.000 0.898 32 F N -0.170 119.827 119.950 0.079 0.000 2.378 32 F HA 0.228 4.755 4.527 0.000 0.000 0.325 32 F C 1.336 177.216 175.800 0.132 0.000 1.097 32 F CA -0.725 57.349 58.000 0.123 0.000 1.079 32 F CB 0.470 39.564 39.000 0.156 0.000 1.240 32 F HN 0.316 nan 8.300 nan 0.000 0.519 33 E N 4.167 124.597 120.200 0.384 0.000 2.414 33 E HA 0.065 4.416 4.350 0.000 0.000 0.263 33 E C -2.309 174.436 176.600 0.242 0.000 1.000 33 E CA -1.614 54.931 56.400 0.241 0.000 0.914 33 E CB 0.419 30.236 29.700 0.195 0.000 0.948 33 E HN 0.124 nan 8.360 nan 0.000 0.444 34 P HA -0.164 nan 4.420 nan 0.000 0.266 34 P C 0.349 177.786 177.300 0.227 0.000 1.195 34 P CA 0.111 63.337 63.100 0.210 0.000 0.768 34 P CB 0.381 32.172 31.700 0.152 0.000 0.838 35 W N 3.643 124.997 121.300 0.090 0.000 2.321 35 W HA -0.174 4.486 4.660 0.000 0.000 0.306 35 W C 0.790 177.356 176.519 0.079 0.000 1.217 35 W CA 1.649 59.046 57.345 0.087 0.000 1.257 35 W CB 0.084 29.601 29.460 0.094 0.000 1.145 35 W HN 0.478 nan 8.180 nan 0.000 0.509 36 E N -0.411 119.912 120.200 0.206 0.000 2.444 36 E HA 0.196 4.547 4.350 0.000 0.000 0.191 36 E C 0.412 177.039 176.600 0.045 0.000 1.041 36 E CA -0.347 56.115 56.400 0.104 0.000 0.883 36 E CB 0.334 30.127 29.700 0.155 0.000 1.024 36 E HN -0.011 nan 8.360 nan 0.000 0.470 37 A N 2.554 125.396 122.820 0.036 0.000 2.322 37 A HA 0.374 4.694 4.320 0.000 0.000 0.269 37 A C -2.358 175.218 177.584 -0.014 0.000 1.094 37 A CA -1.398 50.654 52.037 0.025 0.000 0.807 37 A CB 0.093 19.120 19.000 0.045 0.000 1.047 37 A HN -0.114 nan 8.150 nan 0.000 0.487 38 P HA 0.204 nan 4.420 nan 0.000 0.265 38 P C -2.436 174.843 177.300 -0.036 0.000 1.193 38 P CA -0.447 62.638 63.100 -0.025 0.000 0.765 38 P CB -0.161 31.532 31.700 -0.011 0.000 0.823 39 P HA 0.081 nan 4.420 nan 0.000 0.268 39 P C -0.176 177.103 177.300 -0.036 0.000 1.205 39 P CA 0.225 63.283 63.100 -0.069 0.000 0.771 39 P CB 0.337 31.977 31.700 -0.100 0.000 0.858 40 T N -0.533 114.007 114.554 -0.023 0.000 2.910 40 T HA 0.330 4.680 4.350 0.000 0.000 0.287 40 T C 0.854 175.557 174.700 0.005 0.000 1.050 40 T CA -0.719 61.382 62.100 0.001 0.000 1.011 40 T CB 0.495 69.377 68.868 0.023 0.000 1.195 40 T HN -0.045 nan 8.240 nan 0.000 0.540 41 L N 0.204 121.444 121.223 0.027 0.000 2.131 41 L HA 0.115 4.455 4.340 0.000 0.000 0.210 41 L C 2.421 179.316 176.870 0.042 0.000 1.092 41 L CA 1.650 56.519 54.840 0.049 0.000 0.759 41 L CB -0.675 41.423 42.059 0.065 0.000 0.903 41 L HN 0.643 nan 8.230 nan 0.000 0.435 42 R N -1.613 118.910 120.500 0.038 0.000 2.487 42 R HA 0.329 4.670 4.340 0.000 0.000 0.272 42 R C 0.731 177.058 176.300 0.044 0.000 0.928 42 R CA 0.412 56.537 56.100 0.041 0.000 1.077 42 R CB -0.230 30.143 30.300 0.123 0.000 1.265 42 R HN 0.234 nan 8.270 nan 0.000 0.537 43 G N 1.081 109.906 108.800 0.041 0.000 2.491 43 G HA2 0.308 4.268 3.960 0.000 0.000 0.242 43 G HA3 0.308 4.268 3.960 0.000 0.000 0.242 43 G C -0.835 174.088 174.900 0.040 0.000 1.266 43 G CA -0.126 45.047 45.100 0.122 0.000 0.844 43 G HN 0.000 nan 8.290 nan 0.000 0.571 44 F N 0.398 120.447 119.950 0.165 0.000 2.444 44 F HA 0.383 4.911 4.527 0.000 0.000 0.342 44 F C 1.301 177.238 175.800 0.228 0.000 1.121 44 F CA -0.750 57.371 58.000 0.203 0.000 0.997 44 F CB 2.668 41.864 39.000 0.326 0.000 1.130 44 F HN 0.416 nan 8.300 nan 0.000 0.454 45 K N 1.785 122.307 120.400 0.203 0.000 2.356 45 K HA 0.208 4.528 4.320 0.000 0.000 0.195 45 K C 1.233 177.858 176.600 0.042 0.000 1.037 45 K CA 0.576 56.954 56.287 0.152 0.000 1.014 45 K CB 0.366 32.785 32.500 -0.136 0.000 0.815 45 K HN 1.001 nan 8.250 nan 0.000 0.507 46 G N 1.523 110.183 108.800 -0.233 0.000 2.132 46 G HA2 -0.215 3.746 3.960 0.000 0.000 0.234 46 G HA3 -0.215 3.746 3.960 0.000 0.000 0.234 46 G C 0.335 175.107 174.900 -0.214 0.000 0.989 46 G CA -0.244 44.392 45.100 -0.775 0.000 0.676 46 G HN 0.447 nan 8.290 nan 0.000 0.522 47 G N -0.059 108.817 108.800 0.126 0.000 2.491 47 G HA2 0.618 4.578 3.960 0.000 0.000 0.238 47 G HA3 0.618 4.578 3.960 0.000 0.000 0.238 47 G C 0.495 175.434 174.900 0.066 0.000 1.277 47 G CA 1.247 46.472 45.100 0.208 0.000 0.851 47 G HN 1.530 nan 8.290 nan 0.000 0.573 48 T N -0.680 113.916 114.554 0.070 0.000 2.907 48 T HA 0.457 4.808 4.350 0.000 0.000 0.290 48 T C 1.290 176.025 174.700 0.058 0.000 1.066 48 T CA -0.955 61.181 62.100 0.060 0.000 1.012 48 T CB 1.435 70.389 68.868 0.144 0.000 1.184 48 T HN 0.167 nan 8.240 nan 0.000 0.522 49 L N -0.880 120.305 121.223 -0.063 0.000 2.313 49 L HA 0.133 4.473 4.340 0.000 0.000 0.214 49 L C 2.134 178.985 176.870 -0.032 0.000 1.119 49 L CA 0.745 55.514 54.840 -0.117 0.000 0.809 49 L CB -0.380 41.521 42.059 -0.262 0.000 0.933 49 L HN 0.723 nan 8.230 nan 0.000 0.449 50 W N 0.199 121.541 121.300 0.070 0.000 2.358 50 W HA -0.108 4.552 4.660 0.000 0.000 0.303 50 W C 2.533 179.122 176.519 0.116 0.000 1.208 50 W CA 0.890 58.291 57.345 0.095 0.000 1.274 50 W CB -0.733 28.742 29.460 0.025 0.000 1.138 50 W HN 0.105 nan 8.180 nan 0.000 0.515 51 G N 0.191 109.191 108.800 0.333 0.000 2.422 51 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 51 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 51 G C 1.430 176.602 174.900 0.455 0.000 1.146 51 G CA 1.475 46.790 45.100 0.359 0.000 0.769 51 G HN 0.153 nan 8.290 nan 0.000 0.547 52 V N 1.426 121.551 119.914 0.352 0.000 2.343 52 V HA -0.112 4.009 4.120 0.000 0.000 0.247 52 V C 3.296 179.506 176.094 0.193 0.000 1.051 52 V CA 1.945 64.436 62.300 0.317 0.000 1.036 52 V CB -0.741 31.133 31.823 0.085 0.000 0.654 52 V HN 0.464 nan 8.190 nan 0.000 0.451 53 A N -0.667 122.246 122.820 0.155 0.000 2.019 53 A HA -0.213 4.107 4.320 0.000 0.000 0.219 53 A C 2.147 179.797 177.584 0.111 0.000 1.164 53 A CA 1.650 53.745 52.037 0.096 0.000 0.644 53 A CB -0.398 18.690 19.000 0.148 0.000 0.805 53 A HN 0.630 nan 8.150 nan 0.000 0.449 54 E N -0.554 119.752 120.200 0.177 0.000 2.285 54 E HA -0.063 4.287 4.350 0.000 0.000 0.194 54 E C 0.925 177.494 176.600 -0.051 0.000 0.997 54 E CA 0.534 56.993 56.400 0.099 0.000 0.845 54 E CB 0.087 29.900 29.700 0.189 0.000 0.782 54 E HN 0.256 nan 8.360 nan 0.000 0.491 55 K N 0.613 120.996 120.400 -0.028 0.000 2.410 55 K HA 0.053 4.373 4.320 0.000 0.000 0.200 55 K C 1.572 178.233 176.600 0.102 0.000 1.023 55 K CA -0.070 56.167 56.287 -0.082 0.000 1.149 55 K CB 0.295 32.737 32.500 -0.097 0.000 0.859 55 K HN 0.082 nan 8.250 nan 0.000 0.514 56 L N 2.833 124.066 121.223 0.017 0.000 2.012 56 L HA -0.117 4.223 4.340 0.000 0.000 0.210 56 L C -1.033 175.781 176.870 -0.095 0.000 1.073 56 L CA 2.108 56.910 54.840 -0.065 0.000 0.748 56 L CB -1.014 40.944 42.059 -0.169 0.000 0.891 56 L HN 0.053 nan 8.230 nan 0.000 0.431 57 P HA -0.274 nan 4.420 nan 0.000 0.218 57 P C 1.446 178.734 177.300 -0.019 0.000 1.148 57 P CA 1.696 64.748 63.100 -0.081 0.000 0.822 57 P CB -0.364 31.302 31.700 -0.057 0.000 0.784 58 Y N 1.089 121.366 120.300 -0.039 0.000 2.200 58 Y HA -0.133 4.417 4.550 0.000 0.000 0.290 58 Y C 2.343 178.227 175.900 -0.027 0.000 1.137 58 Y CA 1.405 59.527 58.100 0.037 0.000 1.163 58 Y CB -1.081 37.481 38.460 0.169 0.000 0.988 58 Y HN -0.243 nan 8.280 nan 0.000 0.518 59 L N -0.607 120.542 121.223 -0.123 0.000 2.109 59 L HA -0.189 4.151 4.340 0.000 0.000 0.207 59 L C 2.412 179.097 176.870 -0.309 0.000 1.086 59 L CA 0.918 55.566 54.840 -0.320 0.000 0.760 59 L CB -0.593 41.321 42.059 -0.240 0.000 0.910 59 L HN 0.268 nan 8.230 nan 0.000 0.437 60 L N -0.150 120.945 121.223 -0.213 0.000 2.046 60 L HA -0.240 4.100 4.340 0.000 0.000 0.208 60 L C 2.261 179.044 176.870 -0.144 0.000 1.077 60 L CA 1.482 56.225 54.840 -0.162 0.000 0.747 60 L CB -0.542 41.435 42.059 -0.136 0.000 0.896 60 L HN 0.302 nan 8.230 nan 0.000 0.432 61 D N 0.183 120.481 120.400 -0.170 0.000 2.144 61 D HA -0.227 4.414 4.640 0.000 0.000 0.199 61 D C 2.034 178.232 176.300 -0.170 0.000 0.984 61 D CA 0.901 54.815 54.000 -0.145 0.000 0.834 61 D CB 0.083 40.802 40.800 -0.135 0.000 0.955 61 D HN 0.099 nan 8.370 nan 0.000 0.465 62 L N -0.655 120.400 121.223 -0.280 0.000 2.291 62 L HA 0.213 4.553 4.340 0.000 0.000 0.214 62 L C 1.721 178.608 176.870 0.028 0.000 1.120 62 L CA 1.603 56.328 54.840 -0.193 0.000 0.799 62 L CB -0.072 41.784 42.059 -0.338 0.000 0.925 62 L HN 0.331 nan 8.230 nan 0.000 0.446 63 G N -1.722 107.068 108.800 -0.018 0.000 2.163 63 G HA2 -0.201 3.759 3.960 0.000 0.000 0.213 63 G HA3 -0.201 3.759 3.960 0.000 0.000 0.213 63 G C 0.224 175.163 174.900 0.065 0.000 0.991 63 G CA -0.001 45.161 45.100 0.105 0.000 0.653 63 G HN 0.168 nan 8.290 nan 0.000 0.518 64 V N 0.704 120.437 119.914 -0.302 0.000 2.694 64 V HA 0.184 4.304 4.120 0.000 0.000 0.306 64 V C 1.343 177.244 176.094 -0.321 0.000 1.054 64 V CA 1.566 63.478 62.300 -0.646 0.000 1.161 64 V CB 1.182 32.631 31.823 -0.623 0.000 0.916 64 V HN 0.530 nan 8.190 nan 0.000 0.490 65 E N 2.561 122.582 120.200 -0.298 0.000 2.514 65 E HA 0.486 4.837 4.350 0.000 0.000 0.215 65 E C 0.239 176.656 176.600 -0.305 0.000 0.946 65 E CA 0.453 56.742 56.400 -0.186 0.000 1.038 65 E CB 1.191 30.870 29.700 -0.035 0.000 1.069 65 E HN 0.788 nan 8.360 nan 0.000 0.503 66 A N 1.237 123.792 122.820 -0.442 0.000 2.566 66 A HA 0.570 4.890 4.320 0.000 0.000 0.297 66 A C -1.382 176.004 177.584 -0.329 0.000 1.059 66 A CA -0.635 51.076 52.037 -0.544 0.000 0.691 66 A CB 1.010 19.336 19.000 -1.123 0.000 1.282 66 A HN 0.075 nan 8.150 nan 0.000 0.401 67 I N 2.558 123.052 120.570 -0.126 0.000 2.339 67 I HA 0.285 4.455 4.170 0.000 0.000 0.290 67 I C -0.963 175.297 176.117 0.238 0.000 0.994 67 I CA -0.645 60.680 61.300 0.042 0.000 1.191 67 I CB 1.473 39.437 38.000 -0.059 0.000 1.343 67 I HN 0.716 nan 8.210 nan 0.000 0.458 68 Y N 8.197 128.628 120.300 0.219 0.000 2.385 68 Y HA 0.583 5.133 4.550 0.000 0.000 0.341 68 Y C -1.293 174.626 175.900 0.031 0.000 0.965 68 Y CA -1.296 56.927 58.100 0.205 0.000 1.180 68 Y CB 0.634 39.257 38.460 0.272 0.000 1.139 68 Y HN 0.387 nan 8.280 nan 0.000 0.502 69 L N 6.484 127.686 121.223 -0.034 0.000 2.307 69 L HA 0.377 4.717 4.340 0.000 0.000 0.282 69 L C 0.480 177.070 176.870 -0.466 0.000 1.051 69 L CA -0.673 53.968 54.840 -0.331 0.000 0.804 69 L CB 0.889 42.782 42.059 -0.277 0.000 1.197 69 L HN 0.658 nan 8.230 nan 0.000 0.431 70 N N 2.398 120.738 118.700 -0.599 0.000 2.317 70 N HA 0.200 4.940 4.740 0.000 0.000 0.245 70 N C -2.373 172.758 175.510 -0.632 0.000 1.294 70 N CA -1.154 51.528 53.050 -0.615 0.000 0.924 70 N CB 0.287 38.367 38.487 -0.680 0.000 1.186 70 N HN 0.267 nan 8.380 nan 0.000 0.495 71 P HA -0.098 nan 4.420 nan 0.000 0.261 71 P C 0.732 177.599 177.300 -0.722 0.000 1.165 71 P CA 0.374 62.998 63.100 -0.792 0.000 0.759 71 P CB 0.419 31.597 31.700 -0.870 0.000 0.772 72 V N 0.345 119.744 119.914 -0.859 0.000 3.477 72 V HA 0.291 4.411 4.120 0.000 0.000 0.297 72 V C 0.281 176.081 176.094 -0.491 0.000 1.433 72 V CA 0.133 62.046 62.300 -0.646 0.000 1.052 72 V CB -0.876 30.576 31.823 -0.618 0.000 0.895 72 V HN 0.058 nan 8.190 nan 0.000 0.438 73 F N 2.318 122.077 119.950 -0.319 0.000 2.406 73 F HA 0.744 5.272 4.527 0.000 0.000 0.327 73 F C 1.308 177.017 175.800 -0.151 0.000 1.153 73 F CA -1.018 56.840 58.000 -0.237 0.000 1.218 73 F CB 0.237 39.092 39.000 -0.242 0.000 1.215 73 F HN 0.153 nan 8.300 nan 0.000 0.570 74 A N 1.728 124.641 122.820 0.155 0.000 2.580 74 A HA 0.367 4.687 4.320 0.000 0.000 0.244 74 A C 0.379 178.011 177.584 0.080 0.000 1.045 74 A CA 0.639 52.737 52.037 0.103 0.000 0.761 74 A CB -0.457 18.620 19.000 0.128 0.000 0.962 74 A HN 0.704 nan 8.150 nan 0.000 0.512 75 S N 0.397 116.137 115.700 0.066 0.000 2.570 75 S HA 0.588 5.059 4.470 0.000 0.000 0.270 75 S C 0.801 175.473 174.600 0.120 0.000 1.149 75 S CA 0.173 58.417 58.200 0.074 0.000 0.837 75 S CB 1.220 64.415 63.200 -0.008 0.000 1.124 75 S HN 1.352 nan 8.310 nan 0.000 0.465 76 T N 0.144 114.789 114.554 0.153 0.000 3.081 76 T HA 0.528 4.879 4.350 0.000 0.000 0.250 76 T C 0.552 175.415 174.700 0.271 0.000 1.100 76 T CA 0.382 62.601 62.100 0.198 0.000 1.038 76 T CB -0.007 68.976 68.868 0.191 0.000 0.962 76 T HN 0.844 nan 8.240 nan 0.000 0.516 77 A N 2.461 125.326 122.820 0.076 0.000 2.312 77 A HA 0.585 4.905 4.320 0.000 0.000 0.326 77 A C 1.179 178.512 177.584 -0.418 0.000 1.172 77 A CA -0.763 51.109 52.037 -0.275 0.000 0.821 77 A CB 0.796 19.222 19.000 -0.958 0.000 1.166 77 A HN 0.310 nan 8.150 nan 0.000 0.493 78 N N 1.505 119.727 118.700 -0.797 0.000 2.289 78 N HA -0.229 4.512 4.740 0.000 0.000 0.184 78 N C 0.903 176.163 175.510 -0.416 0.000 1.016 78 N CA 2.342 54.799 53.050 -0.988 0.000 0.872 78 N CB -0.801 37.017 38.487 -1.116 0.000 0.973 78 N HN 0.912 nan 8.380 nan 0.000 0.433 79 H N -1.594 117.375 119.070 -0.169 0.000 2.551 79 H HA 0.401 4.957 4.556 0.000 0.000 0.266 79 H C 0.203 175.295 175.328 -0.393 0.000 0.964 79 H CA -0.063 55.890 56.048 -0.158 0.000 1.180 79 H CB -0.002 29.938 29.762 0.297 0.000 1.408 79 H HN 0.014 nan 8.280 nan 0.000 0.563 80 R N -1.187 119.058 120.500 -0.425 0.000 3.875 80 R HA -0.249 4.091 4.340 0.000 0.000 0.321 80 R C -0.523 175.614 176.300 -0.273 0.000 1.196 80 R CA 1.077 56.972 56.100 -0.342 0.000 0.868 80 R CB -2.699 27.365 30.300 -0.394 0.000 1.333 80 R HN 0.461 nan 8.270 nan 0.000 0.522 81 Y N -0.263 120.077 120.300 0.067 0.000 2.490 81 Y HA 0.093 4.643 4.550 0.000 0.000 0.281 81 Y C 1.058 177.097 175.900 0.231 0.000 1.174 81 Y CA 0.614 58.770 58.100 0.093 0.000 1.295 81 Y CB 0.334 38.832 38.460 0.062 0.000 1.062 81 Y HN 0.241 nan 8.280 nan 0.000 0.522 82 H N -0.375 118.800 119.070 0.175 0.000 2.556 82 H HA 0.207 4.763 4.556 0.000 0.000 0.240 82 H C -0.013 175.348 175.328 0.056 0.000 1.543 82 H CA -0.700 55.431 56.048 0.138 0.000 1.287 82 H CB 0.263 30.096 29.762 0.119 0.000 1.529 82 H HN -0.040 nan 8.280 nan 0.000 0.553 83 T N 1.669 116.287 114.554 0.108 0.000 2.902 83 T HA -0.017 4.333 4.350 0.000 0.000 0.301 83 T C 1.445 176.210 174.700 0.108 0.000 1.012 83 T CA -0.121 61.944 62.100 -0.059 0.000 1.151 83 T CB 1.513 70.065 68.868 -0.527 0.000 0.946 83 T HN 0.308 nan 8.240 nan 0.000 0.542 84 V N 1.345 121.355 119.914 0.160 0.000 3.212 84 V HA 0.198 4.318 4.120 0.000 0.000 0.244 84 V C 0.454 176.807 176.094 0.432 0.000 1.151 84 V CA 0.462 62.951 62.300 0.315 0.000 1.119 84 V CB 0.263 32.208 31.823 0.204 0.000 0.838 84 V HN 0.871 nan 8.190 nan 0.000 0.470 85 D N -1.862 118.719 120.400 0.303 0.000 2.591 85 D HA 0.207 4.847 4.640 0.000 0.000 0.222 85 D C -0.170 176.285 176.300 0.259 0.000 1.360 85 D CA -0.471 53.772 54.000 0.405 0.000 0.967 85 D CB 0.824 41.798 40.800 0.291 0.000 1.456 85 D HN 0.125 nan 8.370 nan 0.000 0.588 86 Y N 1.788 122.286 120.300 0.329 0.000 2.571 86 Y HA 0.083 4.633 4.550 0.000 0.000 0.294 86 Y C 1.420 177.039 175.900 -0.468 0.000 1.141 86 Y CA 0.548 58.523 58.100 -0.208 0.000 1.308 86 Y CB 0.030 38.430 38.460 -0.101 0.000 1.002 86 Y HN 0.358 nan 8.280 nan 0.000 0.551 87 F N -0.646 119.422 119.950 0.197 0.000 2.664 87 F HA 0.197 4.725 4.527 0.000 0.000 0.303 87 F C 0.336 176.308 175.800 0.287 0.000 1.092 87 F CA 0.018 58.110 58.000 0.154 0.000 1.305 87 F CB 0.369 39.327 39.000 -0.071 0.000 1.054 87 F HN -0.136 nan 8.300 nan 0.000 0.565 88 Q N 0.628 120.662 119.800 0.390 0.000 2.285 88 Q HA 0.345 4.686 4.340 0.000 0.000 0.269 88 Q C -0.599 175.574 176.000 0.288 0.000 1.030 88 Q CA -0.531 55.475 55.803 0.338 0.000 0.788 88 Q CB 3.051 31.930 28.738 0.236 0.000 1.266 88 Q HN -0.180 nan 8.270 nan 0.000 0.438 89 V N 2.408 122.463 119.914 0.236 0.000 2.715 89 V HA -0.014 4.106 4.120 0.000 0.000 0.299 89 V C 0.741 176.883 176.094 0.079 0.000 1.054 89 V CA -0.026 62.332 62.300 0.096 0.000 1.077 89 V CB 0.928 32.738 31.823 -0.021 0.000 0.972 89 V HN 0.701 nan 8.190 nan 0.000 0.484 90 D N 5.771 126.189 120.400 0.030 0.000 2.571 90 D HA -0.022 4.618 4.640 0.000 0.000 0.231 90 D C -1.603 174.727 176.300 0.049 0.000 1.133 90 D CA -0.866 53.157 54.000 0.038 0.000 0.862 90 D CB 1.684 42.486 40.800 0.004 0.000 1.179 90 D HN 0.270 nan 8.370 nan 0.000 0.474 91 P HA -0.123 nan 4.420 nan 0.000 0.215 91 P C 1.589 178.949 177.300 0.100 0.000 1.153 91 P CA 0.964 64.115 63.100 0.086 0.000 0.853 91 P CB 0.197 31.941 31.700 0.074 0.000 0.788 92 I N -1.421 119.205 120.570 0.094 0.000 2.361 92 I HA -0.208 3.963 4.170 0.000 0.000 0.251 92 I C 2.036 178.206 176.117 0.088 0.000 1.133 92 I CA 1.268 62.645 61.300 0.127 0.000 1.413 92 I CB -0.513 37.576 38.000 0.148 0.000 1.073 92 I HN -0.074 nan 8.210 nan 0.000 0.424 93 L N 0.109 121.357 121.223 0.043 0.000 2.465 93 L HA 0.020 4.361 4.340 0.000 0.000 0.224 93 L C 1.624 178.481 176.870 -0.022 0.000 1.145 93 L CA 0.914 55.748 54.840 -0.011 0.000 0.834 93 L CB -0.316 41.693 42.059 -0.084 0.000 0.944 93 L HN 0.551 nan 8.230 nan 0.000 0.451 94 G N -1.188 107.652 108.800 0.066 0.000 2.192 94 G HA2 -0.047 3.913 3.960 0.000 0.000 0.193 94 G HA3 -0.047 3.913 3.960 0.000 0.000 0.193 94 G C 0.629 175.585 174.900 0.093 0.000 0.999 94 G CA -0.273 44.918 45.100 0.152 0.000 0.659 94 G HN 0.750 nan 8.290 nan 0.000 0.503 95 G N 0.011 108.836 108.800 0.041 0.000 2.782 95 G HA2 -0.078 3.882 3.960 0.000 0.000 0.228 95 G HA3 -0.078 3.882 3.960 0.000 0.000 0.228 95 G C 0.581 175.514 174.900 0.054 0.000 1.372 95 G CA 0.458 45.604 45.100 0.077 0.000 0.862 95 G HN 0.981 nan 8.290 nan 0.000 0.547 96 N N 0.459 119.248 118.700 0.148 0.000 2.094 96 N HA -0.103 4.637 4.740 0.000 0.000 0.191 96 N C 2.064 177.718 175.510 0.239 0.000 1.023 96 N CA 1.860 55.051 53.050 0.234 0.000 0.857 96 N CB -0.203 38.482 38.487 0.330 0.000 1.013 96 N HN 0.603 nan 8.380 nan 0.000 0.426 97 E N 0.607 120.906 120.200 0.165 0.000 2.110 97 E HA -0.061 4.289 4.350 0.000 0.000 0.193 97 E C 1.882 178.343 176.600 -0.231 0.000 0.988 97 E CA 0.854 57.327 56.400 0.122 0.000 0.804 97 E CB -0.362 29.498 29.700 0.267 0.000 0.745 97 E HN 0.387 nan 8.360 nan 0.000 0.458 98 A N 1.021 123.476 122.820 -0.608 0.000 1.902 98 A HA -0.145 4.175 4.320 0.000 0.000 0.217 98 A C 2.238 179.474 177.584 -0.580 0.000 1.181 98 A CA 1.242 52.459 52.037 -1.366 0.000 0.623 98 A CB -0.514 17.678 19.000 -1.347 0.000 0.818 98 A HN 0.253 nan 8.150 nan 0.000 0.443 99 L N -0.242 120.840 121.223 -0.236 0.000 2.027 99 L HA -0.061 4.280 4.340 0.000 0.000 0.206 99 L C 2.392 179.316 176.870 0.091 0.000 1.074 99 L CA 2.415 57.221 54.840 -0.057 0.000 0.745 99 L CB -0.679 41.394 42.059 0.023 0.000 0.898 99 L HN 0.413 nan 8.230 nan 0.000 0.433 100 R N -0.868 119.770 120.500 0.230 0.000 2.094 100 R HA -0.300 4.040 4.340 0.000 0.000 0.239 100 R C 2.448 178.762 176.300 0.025 0.000 1.137 100 R CA 2.314 58.485 56.100 0.118 0.000 0.943 100 R CB -1.117 29.248 30.300 0.108 0.000 0.850 100 R HN 0.637 nan 8.270 nan 0.000 0.433 101 H N -0.487 118.538 119.070 -0.075 0.000 2.387 101 H HA -0.095 4.461 4.556 0.000 0.000 0.299 101 H C 1.643 176.939 175.328 -0.053 0.000 1.090 101 H CA 1.851 57.884 56.048 -0.026 0.000 1.332 101 H CB -0.289 29.506 29.762 0.055 0.000 1.386 101 H HN 0.270 nan 8.280 nan 0.000 0.516 102 L N -0.038 121.089 121.223 -0.159 0.000 2.056 102 L HA -0.080 4.260 4.340 0.000 0.000 0.207 102 L C 2.020 178.729 176.870 -0.268 0.000 1.078 102 L CA 1.465 56.178 54.840 -0.211 0.000 0.749 102 L CB -0.738 41.222 42.059 -0.164 0.000 0.901 102 L HN 0.382 nan 8.230 nan 0.000 0.433 103 L N -0.679 120.384 121.223 -0.267 0.000 2.027 103 L HA -0.186 4.155 4.340 0.000 0.000 0.206 103 L C 2.515 179.091 176.870 -0.490 0.000 1.074 103 L CA 1.486 56.029 54.840 -0.494 0.000 0.745 103 L CB -0.691 41.154 42.059 -0.356 0.000 0.898 103 L HN 0.319 nan 8.230 nan 0.000 0.433 104 E N -0.134 119.918 120.200 -0.247 0.000 2.033 104 E HA -0.226 4.125 4.350 0.000 0.000 0.199 104 E C 2.227 178.755 176.600 -0.121 0.000 1.011 104 E CA 1.704 58.025 56.400 -0.131 0.000 0.815 104 E CB -0.293 29.364 29.700 -0.073 0.000 0.755 104 E HN 0.251 nan 8.360 nan 0.000 0.451 105 V N 1.355 121.150 119.914 -0.199 0.000 2.407 105 V HA -0.257 3.863 4.120 0.000 0.000 0.248 105 V C 2.305 178.423 176.094 0.040 0.000 1.055 105 V CA 1.769 64.019 62.300 -0.083 0.000 1.049 105 V CB -0.789 30.902 31.823 -0.220 0.000 0.662 105 V HN 0.332 nan 8.190 nan 0.000 0.455 106 A N -0.705 122.045 122.820 -0.116 0.000 1.877 106 A HA -0.249 4.072 4.320 0.000 0.000 0.216 106 A C 2.034 179.625 177.584 0.012 0.000 1.186 106 A CA 2.025 54.005 52.037 -0.096 0.000 0.620 106 A CB -0.896 17.972 19.000 -0.220 0.000 0.822 106 A HN 0.708 nan 8.150 nan 0.000 0.443 107 H N -0.804 118.220 119.070 -0.076 0.000 2.387 107 H HA -0.001 4.556 4.556 0.000 0.000 0.299 107 H C 2.421 177.692 175.328 -0.094 0.000 1.090 107 H CA 0.613 56.599 56.048 -0.102 0.000 1.332 107 H CB 0.008 29.705 29.762 -0.109 0.000 1.386 107 H HN 0.561 nan 8.280 nan 0.000 0.516 108 A N 0.590 123.433 122.820 0.037 0.000 2.076 108 A HA -0.185 4.135 4.320 0.000 0.000 0.220 108 A C 1.028 178.441 177.584 -0.286 0.000 1.160 108 A CA 1.527 53.487 52.037 -0.129 0.000 0.653 108 A CB -0.402 18.491 19.000 -0.178 0.000 0.801 108 A HN 0.491 nan 8.150 nan 0.000 0.455 109 H N -2.056 116.990 119.070 -0.041 0.000 2.528 109 H HA 0.404 4.960 4.556 0.000 0.000 0.282 109 H C 1.349 176.641 175.328 -0.061 0.000 1.097 109 H CA 0.304 56.322 56.048 -0.051 0.000 1.121 109 H CB 0.341 30.067 29.762 -0.061 0.000 1.590 109 H HN 0.513 nan 8.280 nan 0.000 0.553 110 G N 0.572 109.378 108.800 0.010 0.000 2.143 110 G HA2 -0.280 3.680 3.960 0.000 0.000 0.248 110 G HA3 -0.280 3.680 3.960 0.000 0.000 0.248 110 G C -0.101 174.754 174.900 -0.074 0.000 0.991 110 G CA 0.392 45.468 45.100 -0.040 0.000 0.689 110 G HN 0.256 nan 8.290 nan 0.000 0.522 111 V N 1.930 121.811 119.914 -0.055 0.000 2.427 111 V HA 0.603 4.723 4.120 0.000 0.000 0.286 111 V C 0.748 176.755 176.094 -0.144 0.000 1.034 111 V CA -1.045 61.177 62.300 -0.130 0.000 0.893 111 V CB 1.508 33.253 31.823 -0.129 0.000 0.982 111 V HN 0.324 nan 8.190 nan 0.000 0.452 112 R N 2.791 123.101 120.500 -0.318 0.000 2.532 112 R HA 0.753 5.093 4.340 0.000 0.000 0.272 112 R C -1.070 175.089 176.300 -0.235 0.000 1.032 112 R CA -0.555 55.308 56.100 -0.396 0.000 1.089 112 R CB 1.863 31.519 30.300 -1.073 0.000 1.098 112 R HN 0.471 nan 8.270 nan 0.000 0.526 113 V N 3.325 123.169 119.914 -0.117 0.000 2.623 113 V HA 0.454 4.574 4.120 0.000 0.000 0.304 113 V C -0.059 176.060 176.094 0.043 0.000 1.054 113 V CA -0.869 61.404 62.300 -0.045 0.000 0.882 113 V CB 1.880 33.634 31.823 -0.115 0.000 1.002 113 V HN 0.706 nan 8.190 nan 0.000 0.424 114 I N 2.745 123.403 120.570 0.146 0.000 2.646 114 I HA 0.769 4.939 4.170 0.000 0.000 0.299 114 I C -0.966 175.176 176.117 0.042 0.000 1.036 114 I CA -0.797 60.583 61.300 0.134 0.000 1.074 114 I CB 2.030 40.234 38.000 0.340 0.000 1.258 114 I HN 0.397 nan 8.210 nan 0.000 0.430 115 L N 2.665 123.798 121.223 -0.151 0.000 2.331 115 L HA 0.517 4.858 4.340 0.000 0.000 0.268 115 L C -0.256 176.645 176.870 0.052 0.000 1.015 115 L CA -0.780 53.938 54.840 -0.202 0.000 0.807 115 L CB 1.328 43.065 42.059 -0.537 0.000 1.293 115 L HN 0.644 nan 8.230 nan 0.000 0.451 116 D N 0.439 120.841 120.400 0.003 0.000 2.225 116 D HA 0.346 4.987 4.640 0.000 0.000 0.248 116 D C -0.443 175.926 176.300 0.115 0.000 1.096 116 D CA -0.076 53.971 54.000 0.079 0.000 0.863 116 D CB 2.006 42.748 40.800 -0.097 0.000 1.156 116 D HN 0.636 nan 8.370 nan 0.000 0.450 117 G N 2.070 110.901 108.800 0.052 0.000 2.437 117 G HA2 0.440 4.400 3.960 0.000 0.000 0.315 117 G HA3 0.440 4.400 3.960 0.000 0.000 0.315 117 G C -0.494 173.858 174.900 -0.913 0.000 1.210 117 G CA -0.480 44.274 45.100 -0.578 0.000 0.943 117 G HN 0.336 nan 8.290 nan 0.000 0.471 118 V N 3.593 123.066 119.914 -0.734 0.000 2.217 118 V HA 0.240 4.360 4.120 0.000 0.000 0.264 118 V C -0.096 175.824 176.094 -0.290 0.000 1.107 118 V CA -0.518 61.538 62.300 -0.408 0.000 0.913 118 V CB -0.242 31.476 31.823 -0.175 0.000 1.153 118 V HN 0.677 nan 8.190 nan 0.000 0.469 119 F N 1.311 121.284 119.950 0.039 0.000 2.727 119 F HA 0.198 4.725 4.527 0.000 0.000 0.302 119 F C 1.905 177.651 175.800 -0.090 0.000 1.097 119 F CA -0.293 57.686 58.000 -0.034 0.000 1.330 119 F CB -0.513 38.475 39.000 -0.020 0.000 1.084 119 F HN 0.465 nan 8.300 nan 0.000 0.578 120 N N -0.030 118.690 118.700 0.032 0.000 2.333 120 N HA -0.098 4.643 4.740 0.000 0.000 0.178 120 N C 0.198 175.818 175.510 0.184 0.000 1.018 120 N CA 0.778 53.894 53.050 0.110 0.000 0.882 120 N CB 0.119 38.756 38.487 0.251 0.000 0.984 120 N HN 0.356 nan 8.380 nan 0.000 0.434 121 H N -3.653 115.525 119.070 0.181 0.000 3.017 121 H HA 0.383 4.939 4.556 0.000 0.000 0.346 121 H C -0.949 174.508 175.328 0.216 0.000 1.286 121 H CA -0.647 55.527 56.048 0.211 0.000 1.120 121 H CB 0.708 30.593 29.762 0.204 0.000 1.860 121 H HN 0.057 nan 8.280 nan 0.000 0.542 122 T N -1.276 113.480 114.554 0.337 0.000 2.841 122 T HA 0.655 5.005 4.350 0.000 0.000 0.276 122 T C 0.629 175.443 174.700 0.189 0.000 1.003 122 T CA -0.344 61.894 62.100 0.231 0.000 0.995 122 T CB 1.637 70.574 68.868 0.115 0.000 1.260 122 T HN 0.839 nan 8.240 nan 0.000 0.581 123 G N -0.744 108.148 108.800 0.154 0.000 2.522 123 G HA2 0.431 4.391 3.960 0.000 0.000 0.304 123 G HA3 0.431 4.391 3.960 0.000 0.000 0.304 123 G C 0.490 175.329 174.900 -0.103 0.000 1.210 123 G CA -0.974 44.149 45.100 0.039 0.000 0.960 123 G HN 0.769 nan 8.290 nan 0.000 0.497 124 R N -0.435 119.910 120.500 -0.257 0.000 2.235 124 R HA -0.007 4.333 4.340 0.000 0.000 0.213 124 R C 2.343 178.697 176.300 0.089 0.000 1.059 124 R CA 0.790 56.623 56.100 -0.444 0.000 0.997 124 R CB 0.073 30.174 30.300 -0.332 0.000 0.884 124 R HN 0.525 nan 8.270 nan 0.000 0.462 125 G N 0.433 109.323 108.800 0.151 0.000 2.813 125 G HA2 -0.144 3.816 3.960 0.000 0.000 0.209 125 G HA3 -0.144 3.816 3.960 0.000 0.000 0.209 125 G C 0.193 175.246 174.900 0.255 0.000 1.150 125 G CA -0.454 44.769 45.100 0.205 0.000 0.785 125 G HN 0.115 nan 8.290 nan 0.000 0.535 126 F N 0.895 120.946 119.950 0.169 0.000 2.563 126 F HA 0.281 4.808 4.527 0.000 0.000 0.363 126 F C 1.401 177.315 175.800 0.190 0.000 1.123 126 F CA -1.487 56.641 58.000 0.214 0.000 1.307 126 F CB 0.501 39.674 39.000 0.289 0.000 1.115 126 F HN 0.060 nan 8.300 nan 0.000 0.592 127 F N 4.705 124.154 119.950 -0.836 0.000 2.087 127 F HA -0.257 4.271 4.527 0.000 0.000 0.299 127 F C 2.071 177.497 175.800 -0.624 0.000 1.100 127 F CA 2.338 59.922 58.000 -0.694 0.000 1.226 127 F CB -0.799 37.706 39.000 -0.826 0.000 0.983 127 F HN 0.537 nan 8.300 nan 0.000 0.479 128 A N -0.375 121.955 122.820 -0.816 0.000 1.902 128 A HA -0.217 4.104 4.320 0.000 0.000 0.217 128 A C 2.187 179.786 177.584 0.025 0.000 1.181 128 A CA 1.648 53.337 52.037 -0.581 0.000 0.623 128 A CB -1.589 17.170 19.000 -0.401 0.000 0.818 128 A HN 0.508 nan 8.150 nan 0.000 0.443 129 F N 0.441 120.513 119.950 0.202 0.000 2.075 129 F HA -0.191 4.336 4.527 0.000 0.000 0.297 129 F C 2.589 178.321 175.800 -0.114 0.000 1.113 129 F CA 2.127 60.107 58.000 -0.033 0.000 1.218 129 F CB -0.206 38.702 39.000 -0.154 0.000 0.984 129 F HN 0.178 nan 8.300 nan 0.000 0.472 130 Q N -0.408 119.393 119.800 0.002 0.000 2.152 130 Q HA -0.270 4.070 4.340 0.000 0.000 0.206 130 Q C 2.293 178.129 176.000 -0.273 0.000 0.985 130 Q CA 1.668 57.403 55.803 -0.113 0.000 0.863 130 Q CB -1.007 27.675 28.738 -0.093 0.000 0.904 130 Q HN 0.577 nan 8.270 nan 0.000 0.422 131 H N -0.022 118.758 119.070 -0.483 0.000 2.423 131 H HA 0.054 4.610 4.556 0.000 0.000 0.297 131 H C 0.962 176.134 175.328 -0.260 0.000 1.075 131 H CA 0.468 56.238 56.048 -0.463 0.000 1.342 131 H CB 0.027 29.372 29.762 -0.695 0.000 1.395 131 H HN 0.119 nan 8.280 nan 0.000 0.530 135 N N 0.901 119.514 118.700 -0.146 0.000 2.210 135 N HA 0.158 4.899 4.740 0.000 0.000 0.203 135 N C 1.197 176.577 175.510 -0.217 0.000 1.175 135 N CA 0.978 53.948 53.050 -0.133 0.000 0.894 135 N CB 2.255 40.707 38.487 -0.058 0.000 1.041 135 N HN 0.212 nan 8.380 nan 0.000 0.506 136 G N 2.694 111.317 108.800 -0.296 0.000 2.611 136 G HA2 -0.365 3.595 3.960 0.000 0.000 0.301 136 G HA3 -0.365 3.595 3.960 0.000 0.000 0.301 136 G C 0.745 175.158 174.900 -0.813 0.000 1.233 136 G CA 0.532 45.150 45.100 -0.804 0.000 0.993 136 G HN 0.193 nan 8.290 nan 0.000 0.553 137 E N 0.571 120.141 120.200 -1.051 0.000 2.171 137 E HA -0.152 4.198 4.350 0.000 0.000 0.197 137 E C 2.588 179.102 176.600 -0.144 0.000 0.997 137 E CA 1.716 57.881 56.400 -0.393 0.000 0.810 137 E CB -0.187 29.367 29.700 -0.243 0.000 0.738 137 E HN 0.689 nan 8.360 nan 0.000 0.467 138 Q N 0.221 119.925 119.800 -0.160 0.000 2.415 138 Q HA 0.039 4.380 4.340 0.000 0.000 0.206 138 Q C 0.452 176.449 176.000 -0.005 0.000 0.946 138 Q CA -0.145 55.620 55.803 -0.063 0.000 0.951 138 Q CB 0.332 29.031 28.738 -0.064 0.000 1.026 138 Q HN -0.098 nan 8.270 nan 0.000 0.510 139 S N 1.944 117.652 115.700 0.013 0.000 2.499 139 S HA 0.157 4.627 4.470 0.000 0.000 0.275 139 S C -1.747 172.885 174.600 0.054 0.000 1.257 139 S CA -1.622 56.644 58.200 0.109 0.000 1.050 139 S CB 0.760 64.059 63.200 0.166 0.000 0.937 139 S HN 0.087 nan 8.310 nan 0.000 0.490 140 P HA 0.061 nan 4.420 nan 0.000 0.252 140 P C -0.358 176.742 177.300 -0.333 0.000 1.265 140 P CA 0.431 63.435 63.100 -0.161 0.000 0.775 140 P CB -0.241 31.337 31.700 -0.203 0.000 1.128 141 Y N -1.124 119.116 120.300 -0.100 0.000 2.557 141 Y HA 0.312 4.862 4.550 0.000 0.000 0.247 141 Y C 2.423 178.444 175.900 0.203 0.000 1.164 141 Y CA -0.433 57.653 58.100 -0.024 0.000 1.218 141 Y CB 0.011 38.243 38.460 -0.379 0.000 1.210 141 Y HN -0.198 nan 8.280 nan 0.000 0.529 142 R N 0.794 121.443 120.500 0.250 0.000 2.119 142 R HA -0.187 4.153 4.340 0.000 0.000 0.246 142 R C 0.718 177.177 176.300 0.264 0.000 1.146 142 R CA 2.188 58.450 56.100 0.270 0.000 0.962 142 R CB -0.070 30.357 30.300 0.211 0.000 0.863 142 R HN 0.267 nan 8.270 nan 0.000 0.442 143 D N -1.168 119.354 120.400 0.202 0.000 2.363 143 D HA -0.116 4.524 4.640 0.000 0.000 0.226 143 D C 0.776 177.088 176.300 0.019 0.000 1.020 143 D CA 0.485 54.535 54.000 0.083 0.000 0.892 143 D CB -0.111 40.690 40.800 0.002 0.000 0.900 143 D HN 0.372 nan 8.370 nan 0.000 0.531 144 W N 0.020 121.283 121.300 -0.061 0.000 2.678 144 W HA 0.006 4.666 4.660 0.000 0.000 0.256 144 W C 0.312 176.493 176.519 -0.564 0.000 1.280 144 W CA 0.324 57.507 57.345 -0.270 0.000 1.345 144 W CB 0.057 29.385 29.460 -0.220 0.000 1.118 144 W HN -0.094 nan 8.180 nan 0.000 0.629 145 Y N -2.153 118.251 120.300 0.173 0.000 2.665 145 Y HA 0.312 4.862 4.550 0.000 0.000 0.336 145 Y C 0.227 176.093 175.900 -0.056 0.000 1.085 145 Y CA -1.583 56.572 58.100 0.092 0.000 1.096 145 Y CB 0.620 39.207 38.460 0.211 0.000 1.301 145 Y HN -0.289 nan 8.280 nan 0.000 0.493 146 H N 1.177 120.459 119.070 0.353 0.000 2.726 146 H HA 0.297 4.853 4.556 0.000 0.000 0.244 146 H C -0.896 174.564 175.328 0.219 0.000 1.669 146 H CA -0.156 56.026 56.048 0.223 0.000 1.293 146 H CB -0.014 29.863 29.762 0.191 0.000 1.640 146 H HN 0.183 nan 8.280 nan 0.000 0.553 147 V N 3.815 123.860 119.914 0.217 0.000 2.455 147 V HA -0.023 4.097 4.120 0.000 0.000 0.273 147 V C 1.336 177.438 176.094 0.013 0.000 1.045 147 V CA -0.050 62.300 62.300 0.083 0.000 0.976 147 V CB 1.223 32.999 31.823 -0.078 0.000 0.993 147 V HN 0.629 nan 8.190 nan 0.000 0.475 148 K N 3.495 123.896 120.400 0.001 0.000 2.021 148 K HA 0.277 4.597 4.320 0.000 0.000 0.205 148 K C 0.926 177.471 176.600 -0.092 0.000 1.047 148 K CA 1.085 57.359 56.287 -0.022 0.000 0.943 148 K CB 0.105 32.595 32.500 -0.017 0.000 0.725 148 K HN 0.850 nan 8.250 nan 0.000 0.439 149 G N -0.642 108.037 108.800 -0.202 0.000 2.495 149 G HA2 0.472 4.433 3.960 0.000 0.000 0.294 149 G HA3 0.472 4.433 3.960 0.000 0.000 0.294 149 G C -1.816 172.826 174.900 -0.431 0.000 1.397 149 G CA -0.901 44.053 45.100 -0.244 0.000 0.790 149 G HN -0.024 nan 8.290 nan 0.000 0.486 150 F N 1.363 121.347 119.950 0.056 0.000 2.522 150 F HA 0.649 5.176 4.527 0.000 0.000 0.324 150 F C -1.237 174.589 175.800 0.043 0.000 1.077 150 F CA -1.485 56.544 58.000 0.049 0.000 0.944 150 F CB 1.702 40.722 39.000 0.033 0.000 1.175 150 F HN 0.316 nan 8.300 nan 0.000 0.468 151 P HA 0.229 nan 4.420 nan 0.000 0.274 151 P C 0.562 177.978 177.300 0.193 0.000 1.246 151 P CA -0.355 62.911 63.100 0.278 0.000 0.795 151 P CB 1.158 32.966 31.700 0.180 0.000 1.006 152 L N -0.098 121.259 121.223 0.223 0.000 2.201 152 L HA -0.110 4.230 4.340 0.000 0.000 0.212 152 L C 0.989 177.990 176.870 0.219 0.000 1.105 152 L CA 0.819 55.780 54.840 0.202 0.000 0.775 152 L CB -0.760 41.412 42.059 0.187 0.000 0.913 152 L HN 0.565 nan 8.230 nan 0.000 0.440 153 K N -0.734 119.774 120.400 0.181 0.000 3.077 153 K HA -0.255 4.065 4.320 0.000 0.000 0.264 153 K C 1.097 177.775 176.600 0.130 0.000 1.008 153 K CA 0.257 56.631 56.287 0.145 0.000 0.740 153 K CB -1.605 30.950 32.500 0.091 0.000 1.273 153 K HN 0.419 nan 8.250 nan 0.000 0.477 154 A N -0.246 122.678 122.820 0.174 0.000 2.125 154 A HA -0.125 4.195 4.320 0.000 0.000 0.219 154 A C 1.010 178.333 177.584 -0.435 0.000 1.156 154 A CA 1.143 53.199 52.037 0.032 0.000 0.671 154 A CB -0.291 18.727 19.000 0.031 0.000 0.794 154 A HN 0.486 nan 8.150 nan 0.000 0.459 155 Y N 0.414 120.805 120.300 0.152 0.000 2.708 155 Y HA 0.250 4.800 4.550 0.000 0.000 0.287 155 Y C 1.152 177.088 175.900 0.061 0.000 1.145 155 Y CA 0.063 58.222 58.100 0.097 0.000 1.249 155 Y CB -0.074 38.440 38.460 0.091 0.000 1.152 155 Y HN 0.311 nan 8.280 nan 0.000 0.532 156 T N -4.280 110.316 114.554 0.070 0.000 2.910 156 T HA 0.692 5.042 4.350 0.000 0.000 0.287 156 T C 1.037 175.687 174.700 -0.084 0.000 1.050 156 T CA -0.432 61.689 62.100 0.036 0.000 1.011 156 T CB 1.713 70.626 68.868 0.075 0.000 1.195 156 T HN -0.006 nan 8.240 nan 0.000 0.540 157 A N -0.208 122.491 122.820 -0.202 0.000 2.238 157 A HA 0.183 4.504 4.320 0.000 0.000 0.208 157 A C 0.686 177.853 177.584 -0.695 0.000 1.177 157 A CA 0.132 51.915 52.037 -0.423 0.000 0.804 157 A CB -0.624 18.085 19.000 -0.484 0.000 0.823 157 A HN 0.836 nan 8.150 nan 0.000 0.482 158 H N 0.511 119.538 119.070 -0.073 0.000 2.336 158 H HA 0.227 4.783 4.556 0.000 0.000 0.230 158 H C -2.826 172.410 175.328 -0.153 0.000 1.426 158 H CA -1.894 54.092 56.048 -0.103 0.000 1.359 158 H CB -0.062 29.660 29.762 -0.066 0.000 1.555 158 H HN 0.348 nan 8.280 nan 0.000 0.512 159 P HA -0.026 nan 4.420 nan 0.000 0.269 159 P C 0.598 177.645 177.300 -0.422 0.000 1.209 159 P CA -0.287 62.543 63.100 -0.449 0.000 0.776 159 P CB 1.430 32.535 31.700 -0.991 0.000 0.876 160 N N 1.507 120.055 118.700 -0.253 0.000 2.623 160 N HA 0.081 4.821 4.740 0.000 0.000 0.263 160 N C -0.766 174.752 175.510 0.013 0.000 1.218 160 N CA -0.007 52.987 53.050 -0.093 0.000 0.949 160 N CB -0.884 37.587 38.487 -0.027 0.000 1.270 160 N HN 0.436 nan 8.380 nan 0.000 0.507 161 Y N -2.874 117.436 120.300 0.018 0.000 2.641 161 Y HA 0.399 4.949 4.550 0.000 0.000 0.333 161 Y C -0.475 175.483 175.900 0.097 0.000 1.174 161 Y CA -1.367 56.775 58.100 0.070 0.000 1.057 161 Y CB 0.432 38.958 38.460 0.111 0.000 1.322 161 Y HN -0.192 nan 8.280 nan 0.000 0.457 162 E N 1.436 121.824 120.200 0.313 0.000 2.384 162 E HA 0.520 4.870 4.350 0.000 0.000 0.266 162 E C -0.664 176.131 176.600 0.324 0.000 1.012 162 E CA 0.240 56.765 56.400 0.208 0.000 0.901 162 E CB 0.884 30.670 29.700 0.144 0.000 0.967 162 E HN 0.762 nan 8.360 nan 0.000 0.435 163 A N 3.029 125.956 122.820 0.179 0.000 2.539 163 A HA 0.267 4.588 4.320 0.000 0.000 0.296 163 A C -1.747 175.936 177.584 0.166 0.000 1.073 163 A CA -0.786 51.377 52.037 0.210 0.000 0.700 163 A CB 0.624 19.698 19.000 0.122 0.000 1.296 163 A HN 0.728 nan 8.150 nan 0.000 0.405 164 W N 2.497 123.775 121.300 -0.037 0.000 2.607 164 W HA 0.320 4.980 4.660 0.000 0.000 0.336 164 W C -0.352 176.230 176.519 0.105 0.000 1.439 164 W CA 1.113 58.419 57.345 -0.065 0.000 1.346 164 W CB -0.165 29.006 29.460 -0.482 0.000 1.425 164 W HN 0.656 nan 8.180 nan 0.000 0.565 165 W N 4.302 125.180 121.300 -0.702 0.000 4.141 165 W HA -0.232 4.428 4.660 0.000 0.000 0.336 165 W C 1.721 178.026 176.519 -0.356 0.000 1.258 165 W CA 1.559 58.491 57.345 -0.687 0.000 0.747 165 W CB -1.706 27.096 29.460 -1.097 0.000 2.338 165 W HN 1.191 nan 8.180 nan 0.000 1.410 166 G N -0.548 108.222 108.800 -0.051 0.000 2.168 166 G HA2 -0.398 3.562 3.960 0.000 0.000 0.263 166 G HA3 -0.398 3.562 3.960 0.000 0.000 0.263 166 G C 0.366 175.225 174.900 -0.068 0.000 0.977 166 G CA 0.161 45.215 45.100 -0.077 0.000 0.659 166 G HN 0.569 nan 8.290 nan 0.000 0.533 167 N N 1.147 119.845 118.700 -0.003 0.000 2.430 167 N HA 0.279 5.020 4.740 0.000 0.000 0.265 167 N C -0.290 175.208 175.510 -0.020 0.000 1.100 167 N CA -1.598 51.456 53.050 0.007 0.000 0.961 167 N CB 1.555 40.098 38.487 0.094 0.000 1.075 167 N HN 0.138 nan 8.380 nan 0.000 0.478 168 P HA -0.116 nan 4.420 nan 0.000 0.222 168 P C 0.180 177.443 177.300 -0.061 0.000 1.147 168 P CA 1.204 64.271 63.100 -0.054 0.000 0.790 168 P CB 0.402 32.039 31.700 -0.106 0.000 0.780 169 E N -0.510 119.617 120.200 -0.122 0.000 2.418 169 E HA -0.005 4.345 4.350 0.000 0.000 0.197 169 E C 0.155 176.520 176.600 -0.392 0.000 1.026 169 E CA 0.419 56.654 56.400 -0.274 0.000 0.862 169 E CB -0.185 29.344 29.700 -0.284 0.000 0.799 169 E HN 0.313 nan 8.360 nan 0.000 0.518 170 L N 1.154 122.260 121.223 -0.195 0.000 2.556 170 L HA 0.303 4.644 4.340 0.000 0.000 0.243 170 L C -2.599 174.306 176.870 0.057 0.000 1.331 170 L CA -1.861 52.911 54.840 -0.113 0.000 0.927 170 L CB 0.951 42.867 42.059 -0.238 0.000 1.219 170 L HN -0.269 nan 8.230 nan 0.000 0.490 171 P HA -0.029 nan 4.420 nan 0.000 0.263 171 P C -0.283 177.275 177.300 0.431 0.000 1.195 171 P CA -0.031 63.140 63.100 0.118 0.000 0.762 171 P CB 0.479 31.870 31.700 -0.514 0.000 0.799 172 K N 4.048 124.761 120.400 0.521 0.000 2.339 172 K HA 0.160 4.480 4.320 0.000 0.000 0.286 172 K C -0.335 176.611 176.600 0.576 0.000 1.050 172 K CA -0.610 55.998 56.287 0.535 0.000 0.956 172 K CB 0.171 32.943 32.500 0.452 0.000 0.990 172 K HN 0.249 nan 8.250 nan 0.000 0.475 173 L N 4.118 125.553 121.223 0.354 0.000 2.426 173 L HA 0.101 4.441 4.340 0.000 0.000 0.271 173 L C 0.388 177.265 176.870 0.011 0.000 1.169 173 L CA 0.663 55.538 54.840 0.059 0.000 0.836 173 L CB 0.680 42.721 42.059 -0.030 0.000 1.112 173 L HN 0.561 nan 8.230 nan 0.000 0.465 174 K N 2.675 122.928 120.400 -0.244 0.000 2.184 174 K HA 0.195 4.515 4.320 0.000 0.000 0.259 174 K C 0.770 177.189 176.600 -0.301 0.000 1.119 174 K CA -0.251 55.821 56.287 -0.360 0.000 0.991 174 K CB 0.346 32.521 32.500 -0.542 0.000 1.522 174 K HN 0.514 nan 8.250 nan 0.000 0.405 175 V N 3.056 122.830 119.914 -0.234 0.000 2.469 175 V HA -0.265 3.855 4.120 0.000 0.000 0.251 175 V C 2.221 178.156 176.094 -0.265 0.000 1.064 175 V CA 1.984 64.076 62.300 -0.346 0.000 1.066 175 V CB -0.557 30.960 31.823 -0.511 0.000 0.667 175 V HN 0.796 nan 8.190 nan 0.000 0.461 176 E N 0.124 120.218 120.200 -0.176 0.000 2.338 176 E HA -0.126 4.224 4.350 0.000 0.000 0.197 176 E C 0.768 177.280 176.600 -0.147 0.000 1.007 176 E CA 0.665 56.992 56.400 -0.121 0.000 0.849 176 E CB -0.643 29.022 29.700 -0.059 0.000 0.774 176 E HN 0.517 nan 8.360 nan 0.000 0.506 177 T N 3.765 118.184 114.554 -0.224 0.000 2.834 177 T HA 0.118 4.468 4.350 0.000 0.000 0.298 177 T C -1.838 172.707 174.700 -0.258 0.000 0.966 177 T CA -1.209 60.740 62.100 -0.252 0.000 1.141 177 T CB 1.499 70.145 68.868 -0.369 0.000 0.905 177 T HN -0.049 nan 8.240 nan 0.000 0.535 178 P HA -0.172 nan 4.420 nan 0.000 0.216 178 P C 1.496 178.700 177.300 -0.160 0.000 1.157 178 P CA 1.081 64.103 63.100 -0.131 0.000 0.880 178 P CB 0.067 31.719 31.700 -0.081 0.000 0.791 179 A N -0.967 121.727 122.820 -0.209 0.000 1.978 179 A HA -0.163 4.157 4.320 0.000 0.000 0.220 179 A C 2.293 179.635 177.584 -0.403 0.000 1.170 179 A CA 1.815 53.745 52.037 -0.178 0.000 0.636 179 A CB -1.637 17.323 19.000 -0.067 0.000 0.810 179 A HN 0.056 nan 8.150 nan 0.000 0.448 180 V N -0.160 119.291 119.914 -0.771 0.000 2.283 180 V HA -0.201 3.920 4.120 0.000 0.000 0.243 180 V C 2.600 178.510 176.094 -0.308 0.000 1.039 180 V CA 2.040 63.820 62.300 -0.866 0.000 1.016 180 V CB -0.795 30.489 31.823 -0.899 0.000 0.650 180 V HN 0.697 nan 8.190 nan 0.000 0.449 181 R N 0.211 120.576 120.500 -0.225 0.000 2.083 181 R HA -0.237 4.103 4.340 0.000 0.000 0.237 181 R C 2.421 178.738 176.300 0.028 0.000 1.137 181 R CA 2.023 58.101 56.100 -0.037 0.000 0.951 181 R CB -0.386 29.911 30.300 -0.004 0.000 0.851 181 R HN 0.487 nan 8.270 nan 0.000 0.434 182 E N 0.001 120.203 120.200 0.003 0.000 2.085 182 E HA -0.246 4.104 4.350 0.000 0.000 0.194 182 E C 1.694 178.359 176.600 0.109 0.000 0.994 182 E CA 1.508 57.936 56.400 0.046 0.000 0.801 182 E CB -0.462 29.269 29.700 0.052 0.000 0.743 182 E HN 0.488 nan 8.360 nan 0.000 0.453 183 Y N 1.018 121.343 120.300 0.042 0.000 2.114 183 Y HA -0.176 4.374 4.550 0.000 0.000 0.284 183 Y C 2.377 178.316 175.900 0.065 0.000 1.143 183 Y CA 1.858 60.061 58.100 0.171 0.000 1.135 183 Y CB -0.400 38.264 38.460 0.339 0.000 0.980 183 Y HN -0.017 nan 8.280 nan 0.000 0.499 184 L N -0.521 120.725 121.223 0.038 0.000 2.083 184 L HA -0.244 4.097 4.340 0.000 0.000 0.209 184 L C 2.378 179.074 176.870 -0.290 0.000 1.083 184 L CA 1.240 55.956 54.840 -0.207 0.000 0.752 184 L CB -0.644 41.349 42.059 -0.110 0.000 0.899 184 L HN 0.290 nan 8.230 nan 0.000 0.433 185 L N -0.502 120.636 121.223 -0.141 0.000 2.156 185 L HA -0.110 4.230 4.340 0.000 0.000 0.208 185 L C 2.809 179.586 176.870 -0.156 0.000 1.095 185 L CA 0.855 55.580 54.840 -0.192 0.000 0.770 185 L CB -0.628 41.349 42.059 -0.137 0.000 0.914 185 L HN 0.211 nan 8.230 nan 0.000 0.439 186 A N -0.494 122.276 122.820 -0.084 0.000 1.969 186 A HA -0.092 4.229 4.320 0.000 0.000 0.218 186 A C 2.320 179.901 177.584 -0.006 0.000 1.169 186 A CA 1.268 53.313 52.037 0.013 0.000 0.635 186 A CB -0.539 18.523 19.000 0.103 0.000 0.810 186 A HN 0.180 nan 8.150 nan 0.000 0.445 187 V N -0.218 119.559 119.914 -0.227 0.000 2.323 187 V HA -0.202 3.918 4.120 0.000 0.000 0.244 187 V C 3.069 179.221 176.094 0.097 0.000 1.041 187 V CA 1.776 63.886 62.300 -0.318 0.000 1.025 187 V CB -1.187 30.375 31.823 -0.434 0.000 0.656 187 V HN 0.592 nan 8.190 nan 0.000 0.451 188 A N -0.395 122.338 122.820 -0.145 0.000 1.892 188 A HA -0.323 3.997 4.320 0.000 0.000 0.218 188 A C 2.285 180.030 177.584 0.268 0.000 1.188 188 A CA 2.384 54.345 52.037 -0.127 0.000 0.631 188 A CB -0.539 18.009 19.000 -0.754 0.000 0.822 188 A HN 0.646 nan 8.150 nan 0.000 0.447 189 E N -1.459 118.781 120.200 0.068 0.000 2.028 189 E HA -0.251 4.100 4.350 0.000 0.000 0.190 189 E C 1.928 178.618 176.600 0.151 0.000 0.984 189 E CA 1.171 57.628 56.400 0.096 0.000 0.800 189 E CB -0.296 29.418 29.700 0.023 0.000 0.758 189 E HN 0.791 nan 8.360 nan 0.000 0.448 190 H N -0.723 118.360 119.070 0.022 0.000 2.321 190 H HA -0.196 4.360 4.556 0.000 0.000 0.295 190 H C 1.543 176.771 175.328 -0.167 0.000 1.102 190 H CA 2.657 58.634 56.048 -0.118 0.000 1.266 190 H CB -0.413 29.188 29.762 -0.268 0.000 1.363 190 H HN 0.273 nan 8.280 nan 0.000 0.492 191 W N -0.285 121.128 121.300 0.189 0.000 2.467 191 W HA -0.028 4.633 4.660 0.000 0.000 0.275 191 W C 2.099 178.666 176.519 0.080 0.000 1.239 191 W CA -0.046 57.356 57.345 0.094 0.000 1.266 191 W CB 0.108 29.664 29.460 0.159 0.000 1.112 191 W HN 0.229 nan 8.180 nan 0.000 0.576 192 I N 0.535 121.272 120.570 0.279 0.000 2.252 192 I HA -0.197 3.973 4.170 0.000 0.000 0.245 192 I C 2.149 178.343 176.117 0.128 0.000 1.102 192 I CA 1.523 62.932 61.300 0.182 0.000 1.385 192 I CB -1.316 36.803 38.000 0.199 0.000 1.064 192 I HN 0.071 nan 8.210 nan 0.000 0.414 193 R N -0.413 120.131 120.500 0.073 0.000 2.148 193 R HA -0.154 4.186 4.340 0.000 0.000 0.227 193 R C 2.189 178.498 176.300 0.014 0.000 1.103 193 R CA 0.972 57.083 56.100 0.019 0.000 0.983 193 R CB -0.388 29.898 30.300 -0.023 0.000 0.874 193 R HN 0.213 nan 8.270 nan 0.000 0.451 194 F N -0.044 119.805 119.950 -0.167 0.000 2.451 194 F HA -0.001 4.526 4.527 0.000 0.000 0.299 194 F C 1.347 177.161 175.800 0.022 0.000 1.101 194 F CA 1.546 59.470 58.000 -0.127 0.000 1.436 194 F CB 0.450 39.351 39.000 -0.165 0.000 1.074 194 F HN 0.172 nan 8.300 nan 0.000 0.553 195 G N -0.385 108.532 108.800 0.194 0.000 2.318 195 G HA2 -0.172 3.788 3.960 0.000 0.000 0.172 195 G HA3 -0.172 3.788 3.960 0.000 0.000 0.172 195 G C -0.087 174.959 174.900 0.243 0.000 1.002 195 G CA -0.086 45.117 45.100 0.171 0.000 0.697 195 G HN 0.186 nan 8.290 nan 0.000 0.483 196 V N 2.147 122.201 119.914 0.233 0.000 2.740 196 V HA 0.212 4.332 4.120 0.000 0.000 0.303 196 V C 0.948 177.094 176.094 0.085 0.000 1.054 196 V CA 0.850 63.217 62.300 0.110 0.000 1.106 196 V CB 1.314 33.131 31.823 -0.010 0.000 0.957 196 V HN 0.338 nan 8.190 nan 0.000 0.486 197 D N 3.012 123.465 120.400 0.088 0.000 2.339 197 D HA 0.294 4.934 4.640 0.000 0.000 0.217 197 D C 0.595 177.086 176.300 0.318 0.000 1.050 197 D CA 0.814 54.909 54.000 0.158 0.000 0.856 197 D CB 1.073 41.873 40.800 0.000 0.000 0.922 197 D HN 0.745 nan 8.370 nan 0.000 0.518 198 G N 0.127 109.015 108.800 0.147 0.000 2.322 198 G HA2 0.328 4.288 3.960 0.000 0.000 0.295 198 G HA3 0.328 4.288 3.960 0.000 0.000 0.295 198 G C -2.283 172.598 174.900 -0.032 0.000 1.369 198 G CA -1.070 44.145 45.100 0.192 0.000 0.821 198 G HN 0.059 nan 8.290 nan 0.000 0.536 199 W N 0.341 121.730 121.300 0.149 0.000 2.839 199 W HA 0.684 5.344 4.660 0.000 0.000 0.334 199 W C 0.088 176.531 176.519 -0.126 0.000 1.064 199 W CA -0.915 56.507 57.345 0.128 0.000 1.236 199 W CB 2.153 31.840 29.460 0.379 0.000 1.405 199 W HN 0.438 nan 8.180 nan 0.000 0.478 200 R N 4.671 125.230 120.500 0.098 0.000 2.215 200 R HA 0.424 4.764 4.340 0.000 0.000 0.336 200 R C -1.196 175.016 176.300 -0.147 0.000 0.996 200 R CA -0.454 55.501 56.100 -0.242 0.000 0.847 200 R CB 0.345 30.352 30.300 -0.488 0.000 1.127 200 R HN 0.744 nan 8.270 nan 0.000 0.465 201 L N 3.804 124.820 121.223 -0.345 0.000 2.313 201 L HA 0.179 4.520 4.340 0.000 0.000 0.282 201 L C 0.444 177.149 176.870 -0.276 0.000 1.092 201 L CA -0.475 54.152 54.840 -0.354 0.000 0.831 201 L CB 0.769 42.416 42.059 -0.686 0.000 1.159 201 L HN 0.497 nan 8.230 nan 0.000 0.442 202 D N 2.790 123.099 120.400 -0.151 0.000 2.348 202 D HA 0.193 4.833 4.640 0.000 0.000 0.253 202 D C 0.562 176.844 176.300 -0.031 0.000 1.161 202 D CA -0.071 53.893 54.000 -0.060 0.000 0.876 202 D CB 0.984 41.771 40.800 -0.023 0.000 1.160 202 D HN 0.413 nan 8.370 nan 0.000 0.459 203 V N 2.610 122.526 119.914 0.004 0.000 5.500 203 V HA -0.175 3.945 4.120 0.000 0.000 0.218 203 V C -1.423 174.747 176.094 0.128 0.000 0.706 203 V CA 0.456 62.812 62.300 0.093 0.000 0.574 203 V CB -1.557 30.391 31.823 0.210 0.000 0.227 203 V HN 0.709 nan 8.190 nan 0.000 0.528 204 P HA -0.189 nan 4.420 nan 0.000 0.219 204 P C 1.557 179.064 177.300 0.345 0.000 1.146 204 P CA 2.041 65.206 63.100 0.108 0.000 0.808 204 P CB -0.133 31.290 31.700 -0.462 0.000 0.779 205 N N 0.448 119.239 118.700 0.152 0.000 2.364 205 N HA -0.156 4.584 4.740 0.000 0.000 0.183 205 N C 1.216 176.962 175.510 0.393 0.000 1.022 205 N CA 1.010 54.299 53.050 0.399 0.000 0.883 205 N CB -0.837 37.819 38.487 0.282 0.000 0.965 205 N HN 0.145 nan 8.380 nan 0.000 0.438 206 E N 0.523 120.942 120.200 0.365 0.000 2.472 206 E HA 0.089 4.440 4.350 0.000 0.000 0.200 206 E C 0.315 177.097 176.600 0.302 0.000 1.046 206 E CA 0.289 56.891 56.400 0.337 0.000 0.871 206 E CB 0.182 30.123 29.700 0.401 0.000 0.806 206 E HN 0.552 nan 8.360 nan 0.000 0.533 207 I N 2.764 123.568 120.570 0.390 0.000 2.555 207 I HA 0.096 4.267 4.170 0.000 0.000 0.275 207 I C -1.754 174.594 176.117 0.386 0.000 1.082 207 I CA -1.468 59.992 61.300 0.267 0.000 1.167 207 I CB 1.719 39.776 38.000 0.096 0.000 1.312 207 I HN -0.234 nan 8.210 nan 0.000 0.493 208 P HA -0.089 nan 4.420 nan 0.000 0.247 208 P C 0.162 177.595 177.300 0.222 0.000 1.225 208 P CA 0.434 63.678 63.100 0.241 0.000 0.768 208 P CB 0.087 31.860 31.700 0.122 0.000 1.020 209 D N 1.511 122.017 120.400 0.178 0.000 2.359 209 D HA 0.076 4.717 4.640 0.000 0.000 0.250 209 D C -1.430 175.014 176.300 0.241 0.000 1.264 209 D CA -2.108 51.976 54.000 0.141 0.000 0.911 209 D CB 1.028 41.852 40.800 0.039 0.000 1.056 209 D HN 0.027 nan 8.370 nan 0.000 0.499 210 P HA -0.161 nan 4.420 nan 0.000 0.215 210 P C 1.410 178.825 177.300 0.192 0.000 1.153 210 P CA 1.681 64.943 63.100 0.271 0.000 0.853 210 P CB -0.016 31.795 31.700 0.185 0.000 0.788 211 T N -3.799 110.836 114.554 0.134 0.000 2.881 211 T HA -0.193 4.157 4.350 0.000 0.000 0.270 211 T C 1.656 176.412 174.700 0.093 0.000 1.068 211 T CA 0.672 62.827 62.100 0.091 0.000 1.131 211 T CB -1.351 67.555 68.868 0.065 0.000 0.871 211 T HN -0.035 nan 8.240 nan 0.000 0.479 212 F N 0.765 120.685 119.950 -0.050 0.000 2.075 212 F HA 0.106 4.633 4.527 0.000 0.000 0.297 212 F C 1.943 177.693 175.800 -0.084 0.000 1.113 212 F CA 0.707 58.603 58.000 -0.172 0.000 1.218 212 F CB -0.636 38.117 39.000 -0.412 0.000 0.984 212 F HN 0.161 nan 8.300 nan 0.000 0.472 213 W N 0.552 121.917 121.300 0.108 0.000 2.425 213 W HA -0.076 4.584 4.660 0.000 0.000 0.277 213 W C 2.532 179.069 176.519 0.030 0.000 1.231 213 W CA 0.682 58.056 57.345 0.048 0.000 1.248 213 W CB -0.263 29.294 29.460 0.162 0.000 1.117 213 W HN -0.097 nan 8.180 nan 0.000 0.568 214 R N 0.095 120.715 120.500 0.199 0.000 2.073 214 R HA -0.104 4.236 4.340 0.000 0.000 0.229 214 R C 1.955 178.292 176.300 0.062 0.000 1.120 214 R CA 1.321 57.485 56.100 0.107 0.000 0.967 214 R CB -0.450 29.880 30.300 0.051 0.000 0.862 214 R HN 0.228 nan 8.270 nan 0.000 0.436 215 E N 0.070 120.265 120.200 -0.009 0.000 2.072 215 E HA -0.196 4.154 4.350 0.000 0.000 0.191 215 E C 1.632 178.172 176.600 -0.099 0.000 0.985 215 E CA 0.935 57.293 56.400 -0.071 0.000 0.801 215 E CB -0.046 29.582 29.700 -0.120 0.000 0.750 215 E HN 0.197 nan 8.360 nan 0.000 0.452 216 F N 1.694 121.449 119.950 -0.324 0.000 2.126 216 F HA -0.237 4.290 4.527 0.000 0.000 0.299 216 F C 2.486 178.258 175.800 -0.046 0.000 1.096 216 F CA 1.876 59.700 58.000 -0.293 0.000 1.255 216 F CB -0.077 38.734 39.000 -0.315 0.000 0.997 216 F HN -0.142 nan 8.300 nan 0.000 0.479 217 R N -0.013 120.643 120.500 0.260 0.000 2.080 217 R HA -0.197 4.143 4.340 0.000 0.000 0.236 217 R C 2.269 178.593 176.300 0.039 0.000 1.137 217 R CA 1.884 58.101 56.100 0.195 0.000 0.943 217 R CB -0.383 30.045 30.300 0.214 0.000 0.846 217 R HN 0.293 nan 8.270 nan 0.000 0.431 218 Q N 0.189 119.999 119.800 0.016 0.000 2.124 218 Q HA -0.137 4.203 4.340 0.000 0.000 0.202 218 Q C 2.111 178.086 176.000 -0.042 0.000 0.977 218 Q CA 1.254 57.054 55.803 -0.004 0.000 0.850 218 Q CB -0.243 28.492 28.738 -0.005 0.000 0.901 218 Q HN 0.317 nan 8.270 nan 0.000 0.429 219 R N -0.090 120.344 120.500 -0.110 0.000 2.075 219 R HA -0.016 4.324 4.340 0.000 0.000 0.232 219 R C 2.362 178.586 176.300 -0.127 0.000 1.126 219 R CA 0.764 56.783 56.100 -0.136 0.000 0.963 219 R CB -0.816 29.355 30.300 -0.215 0.000 0.858 219 R HN 0.155 nan 8.270 nan 0.000 0.435 220 V N 1.734 121.529 119.914 -0.198 0.000 2.323 220 V HA -0.157 3.964 4.120 0.000 0.000 0.244 220 V C 2.275 178.394 176.094 0.041 0.000 1.041 220 V CA 1.453 63.706 62.300 -0.077 0.000 1.025 220 V CB -0.304 31.455 31.823 -0.106 0.000 0.656 220 V HN 0.159 nan 8.190 nan 0.000 0.451 221 K N 0.697 121.125 120.400 0.046 0.000 2.211 221 K HA -0.028 4.292 4.320 0.000 0.000 0.203 221 K C 2.158 178.796 176.600 0.063 0.000 1.050 221 K CA 1.271 57.608 56.287 0.084 0.000 0.945 221 K CB -0.808 31.745 32.500 0.089 0.000 0.732 221 K HN 0.537 nan 8.250 nan 0.000 0.451 222 G N 0.916 109.735 108.800 0.032 0.000 2.422 222 G HA2 -0.169 3.791 3.960 0.000 0.000 0.218 222 G HA3 -0.169 3.791 3.960 0.000 0.000 0.218 222 G C 1.570 176.490 174.900 0.033 0.000 1.140 222 G CA 0.894 46.009 45.100 0.026 0.000 0.775 222 G HN 0.362 nan 8.290 nan 0.000 0.545 223 A N -0.646 122.198 122.820 0.040 0.000 2.030 223 A HA 0.244 4.564 4.320 0.000 0.000 0.215 223 A C 0.997 178.621 177.584 0.067 0.000 1.164 223 A CA 0.671 52.737 52.037 0.049 0.000 0.697 223 A CB 0.123 19.157 19.000 0.057 0.000 0.827 223 A HN 0.306 nan 8.150 nan 0.000 0.457 224 N N -1.124 117.629 118.700 0.089 0.000 2.812 224 N HA 0.155 4.895 4.740 0.000 0.000 0.262 224 N C -2.777 172.819 175.510 0.144 0.000 1.241 224 N CA -1.198 51.920 53.050 0.112 0.000 0.854 224 N CB 1.551 40.117 38.487 0.131 0.000 1.506 224 N HN -0.129 nan 8.380 nan 0.000 0.576 225 P HA -0.093 nan 4.420 nan 0.000 0.223 225 P C 0.067 177.498 177.300 0.218 0.000 1.144 225 P CA 1.245 64.433 63.100 0.146 0.000 0.783 225 P CB 0.512 32.278 31.700 0.110 0.000 0.771 226 E N -0.683 119.678 120.200 0.269 0.000 2.476 226 E HA 0.286 4.636 4.350 0.000 0.000 0.196 226 E C 0.603 177.558 176.600 0.592 0.000 1.029 226 E CA -0.477 56.181 56.400 0.431 0.000 0.896 226 E CB 0.258 30.211 29.700 0.422 0.000 1.012 226 E HN 0.175 nan 8.360 nan 0.000 0.475 227 A N 1.360 124.418 122.820 0.398 0.000 2.462 227 A HA 0.080 4.401 4.320 0.000 0.000 0.243 227 A C -0.742 176.998 177.584 0.260 0.000 1.076 227 A CA 0.028 52.292 52.037 0.378 0.000 0.773 227 A CB 0.007 19.166 19.000 0.266 0.000 1.010 227 A HN 0.272 nan 8.150 nan 0.000 0.493 228 Y N 2.130 122.468 120.300 0.063 0.000 2.330 228 Y HA 0.614 5.164 4.550 0.000 0.000 0.336 228 Y C -0.549 175.274 175.900 -0.128 0.000 1.036 228 Y CA -1.240 56.610 58.100 -0.417 0.000 1.125 228 Y CB 0.927 39.141 38.460 -0.410 0.000 1.194 228 Y HN 0.502 nan 8.280 nan 0.000 0.469 229 I N 7.946 128.221 120.570 -0.492 0.000 2.411 229 I HA 0.378 4.548 4.170 0.000 0.000 0.284 229 I C -1.228 174.459 176.117 -0.718 0.000 1.012 229 I CA -0.964 60.125 61.300 -0.352 0.000 1.119 229 I CB 1.622 39.653 38.000 0.052 0.000 1.261 229 I HN 0.421 nan 8.210 nan 0.000 0.448 230 V N 5.879 125.264 119.914 -0.882 0.000 2.540 230 V HA 0.854 4.974 4.120 0.000 0.000 0.302 230 V C 0.018 175.560 176.094 -0.920 0.000 1.035 230 V CA -0.072 61.693 62.300 -0.892 0.000 0.873 230 V CB 1.824 33.066 31.823 -0.968 0.000 0.992 230 V HN 0.771 nan 8.190 nan 0.000 0.428 231 G N 3.623 111.807 108.800 -1.028 0.000 2.389 231 G HA2 0.475 4.435 3.960 0.000 0.000 0.328 231 G HA3 0.475 4.435 3.960 0.000 0.000 0.328 231 G C -0.601 173.952 174.900 -0.577 0.000 1.133 231 G CA -0.507 43.920 45.100 -1.121 0.000 0.891 231 G HN 0.869 nan 8.290 nan 0.000 0.485 232 E N 1.717 121.655 120.200 -0.435 0.000 1.893 232 E HA 0.208 4.558 4.350 0.000 0.000 0.269 232 E C -0.527 176.013 176.600 -0.101 0.000 1.129 232 E CA -0.398 55.880 56.400 -0.202 0.000 0.904 232 E CB 0.155 29.829 29.700 -0.043 0.000 1.077 232 E HN 0.092 nan 8.360 nan 0.000 0.407 233 I N 4.596 125.108 120.570 -0.096 0.000 2.418 233 I HA 0.109 4.279 4.170 0.000 0.000 0.287 233 I C -0.056 176.168 176.117 0.179 0.000 1.008 233 I CA -0.703 60.606 61.300 0.015 0.000 1.104 233 I CB 0.913 38.861 38.000 -0.087 0.000 1.264 233 I HN 0.701 nan 8.210 nan 0.000 0.438 234 W N 3.639 124.967 121.300 0.047 0.000 3.047 234 W HA 0.098 4.758 4.660 0.000 0.000 0.250 234 W C 0.837 177.414 176.519 0.096 0.000 1.314 234 W CA 0.154 57.538 57.345 0.065 0.000 1.540 234 W CB 0.145 29.522 29.460 -0.137 0.000 1.127 234 W HN 0.478 nan 8.180 nan 0.000 0.679 235 E N -0.446 119.929 120.200 0.292 0.000 2.475 235 E HA 0.106 4.456 4.350 0.000 0.000 0.221 235 E C -0.072 176.669 176.600 0.236 0.000 0.793 235 E CA -0.733 55.802 56.400 0.225 0.000 0.922 235 E CB 0.115 29.927 29.700 0.187 0.000 1.778 235 E HN -0.226 nan 8.360 nan 0.000 0.392 236 E N 0.372 120.707 120.200 0.225 0.000 2.452 236 E HA 0.173 4.523 4.350 0.000 0.000 0.261 236 E C -0.579 176.246 176.600 0.374 0.000 0.987 236 E CA 0.157 56.730 56.400 0.288 0.000 0.926 236 E CB 0.779 30.596 29.700 0.195 0.000 0.934 236 E HN 0.473 nan 8.360 nan 0.000 0.452 237 A N 3.162 126.262 122.820 0.467 0.000 2.610 237 A HA 0.178 4.499 4.320 0.000 0.000 0.290 237 A C 0.463 178.313 177.584 0.443 0.000 1.001 237 A CA -0.241 52.100 52.037 0.507 0.000 1.004 237 A CB -0.026 19.197 19.000 0.371 0.000 1.220 237 A HN 0.489 nan 8.150 nan 0.000 0.507 238 D N -0.012 120.662 120.400 0.457 0.000 2.133 238 D HA -0.282 4.359 4.640 0.000 0.000 0.192 238 D C 1.350 177.741 176.300 0.153 0.000 1.001 238 D CA 1.961 56.168 54.000 0.345 0.000 0.844 238 D CB -0.422 40.523 40.800 0.242 0.000 0.944 238 D HN 0.567 nan 8.370 nan 0.000 0.447 239 F N 0.087 119.991 119.950 -0.077 0.000 2.115 239 F HA -0.226 4.301 4.527 0.000 0.000 0.300 239 F C 1.514 177.043 175.800 -0.451 0.000 1.092 239 F CA 1.448 59.225 58.000 -0.373 0.000 1.245 239 F CB -0.106 38.429 39.000 -0.775 0.000 0.995 239 F HN 0.081 nan 8.300 nan 0.000 0.481 240 W N -0.040 121.227 121.300 -0.054 0.000 3.290 240 W HA 0.233 4.893 4.660 0.000 0.000 0.287 240 W C 0.475 176.799 176.519 -0.326 0.000 1.288 240 W CA 0.165 57.290 57.345 -0.367 0.000 1.725 240 W CB -0.279 28.962 29.460 -0.365 0.000 1.103 240 W HN 0.066 nan 8.180 nan 0.000 0.670 241 L N 0.625 121.833 121.223 -0.024 0.000 3.202 241 L HA 0.156 4.496 4.340 0.000 0.000 0.278 241 L C 1.713 178.569 176.870 -0.022 0.000 1.268 241 L CA -0.045 54.774 54.840 -0.035 0.000 1.034 241 L CB 0.112 42.098 42.059 -0.122 0.000 1.407 241 L HN -0.267 nan 8.230 nan 0.000 0.581 242 Q N 0.538 120.289 119.800 -0.082 0.000 2.432 242 Q HA 0.128 4.469 4.340 0.000 0.000 0.205 242 Q C 1.641 177.618 176.000 -0.039 0.000 0.945 242 Q CA 0.995 56.762 55.803 -0.060 0.000 0.924 242 Q CB 0.806 29.469 28.738 -0.124 0.000 1.016 242 Q HN 0.628 nan 8.270 nan 0.000 0.503 243 G N 1.192 109.969 108.800 -0.038 0.000 2.336 243 G HA2 -0.174 3.786 3.960 0.000 0.000 0.194 243 G HA3 -0.174 3.786 3.960 0.000 0.000 0.194 243 G C -0.075 174.822 174.900 -0.006 0.000 0.999 243 G CA 0.141 45.238 45.100 -0.004 0.000 0.669 243 G HN 0.453 nan 8.290 nan 0.000 0.482 247 D N 0.415 120.859 120.400 0.073 0.000 2.327 247 D HA 0.491 5.132 4.640 0.000 0.000 0.205 247 D C 0.516 176.829 176.300 0.021 0.000 0.989 247 D CA 1.258 55.281 54.000 0.038 0.000 0.873 247 D CB 0.943 41.722 40.800 -0.036 0.000 0.955 247 D HN 0.588 nan 8.370 nan 0.000 0.515 248 A N -0.276 122.498 122.820 -0.076 0.000 2.483 248 A HA 0.566 4.887 4.320 0.000 0.000 0.294 248 A C -1.168 176.289 177.584 -0.213 0.000 1.077 248 A CA -0.421 51.547 52.037 -0.114 0.000 0.633 248 A CB 0.813 19.790 19.000 -0.038 0.000 1.318 248 A HN 0.003 nan 8.150 nan 0.000 0.455 252 Y N 0.207 120.381 120.300 -0.210 0.000 2.333 252 Y HA 0.026 4.577 4.550 0.000 0.000 0.290 252 Y C -0.664 175.198 175.900 -0.063 0.000 1.144 252 Y CA 1.204 59.180 58.100 -0.206 0.000 1.228 252 Y CB -0.790 37.467 38.460 -0.337 0.000 0.985 252 Y HN 0.369 nan 8.280 nan 0.000 0.542 253 P HA -0.173 nan 4.420 nan 0.000 0.217 253 P C 1.777 179.089 177.300 0.020 0.000 1.150 253 P CA 1.109 64.252 63.100 0.073 0.000 0.832 253 P CB -0.004 31.734 31.700 0.062 0.000 0.787 254 L N -0.250 120.961 121.223 -0.021 0.000 2.056 254 L HA -0.045 4.295 4.340 0.000 0.000 0.207 254 L C 2.162 179.047 176.870 0.026 0.000 1.078 254 L CA 1.903 56.719 54.840 -0.039 0.000 0.749 254 L CB -1.576 40.450 42.059 -0.054 0.000 0.901 254 L HN -0.134 nan 8.230 nan 0.000 0.433 255 A N -0.113 122.712 122.820 0.008 0.000 1.908 255 A HA -0.237 4.083 4.320 0.000 0.000 0.218 255 A C 2.402 180.029 177.584 0.073 0.000 1.181 255 A CA 1.930 53.984 52.037 0.029 0.000 0.627 255 A CB -0.564 18.440 19.000 0.006 0.000 0.818 255 A HN 0.536 nan 8.150 nan 0.000 0.445 256 R N -0.564 119.991 120.500 0.092 0.000 2.081 256 R HA -0.086 4.254 4.340 0.000 0.000 0.235 256 R C 2.529 178.890 176.300 0.103 0.000 1.131 256 R CA 1.235 57.392 56.100 0.095 0.000 0.960 256 R CB -0.556 29.802 30.300 0.098 0.000 0.856 256 R HN 0.518 nan 8.270 nan 0.000 0.436 257 A N 0.944 123.842 122.820 0.131 0.000 1.858 257 A HA -0.128 4.193 4.320 0.000 0.000 0.216 257 A C 2.429 180.198 177.584 0.309 0.000 1.190 257 A CA 1.590 53.778 52.037 0.252 0.000 0.617 257 A CB -0.671 18.457 19.000 0.214 0.000 0.827 257 A HN 0.115 nan 8.150 nan 0.000 0.443 258 V N 0.148 120.225 119.914 0.272 0.000 2.343 258 V HA -0.254 3.866 4.120 0.000 0.000 0.247 258 V C 2.573 178.648 176.094 -0.032 0.000 1.051 258 V CA 1.943 64.291 62.300 0.080 0.000 1.036 258 V CB -0.818 31.087 31.823 0.138 0.000 0.654 258 V HN 0.550 nan 8.190 nan 0.000 0.451 259 L N 0.366 121.599 121.223 0.017 0.000 2.046 259 L HA -0.074 4.266 4.340 0.000 0.000 0.208 259 L C 2.648 179.503 176.870 -0.025 0.000 1.077 259 L CA 1.719 56.552 54.840 -0.012 0.000 0.747 259 L CB -1.121 40.946 42.059 0.013 0.000 0.896 259 L HN 0.473 nan 8.230 nan 0.000 0.432 260 G N -0.440 108.370 108.800 0.017 0.000 2.402 260 G HA2 -0.305 3.655 3.960 0.000 0.000 0.216 260 G HA3 -0.305 3.655 3.960 0.000 0.000 0.216 260 G C 1.404 176.318 174.900 0.023 0.000 1.162 260 G CA 0.492 45.610 45.100 0.030 0.000 0.777 260 G HN 0.244 nan 8.290 nan 0.000 0.539 261 F N 1.379 121.188 119.950 -0.234 0.000 2.037 261 F HA 0.004 4.531 4.527 0.000 0.000 0.291 261 F C 2.702 178.358 175.800 -0.239 0.000 1.137 261 F CA 1.248 59.038 58.000 -0.351 0.000 1.178 261 F CB -0.698 37.722 39.000 -0.967 0.000 0.995 261 F HN -0.016 nan 8.300 nan 0.000 0.472 262 V N 0.816 120.426 119.914 -0.507 0.000 2.332 262 V HA -0.239 3.881 4.120 0.000 0.000 0.248 262 V C 2.749 178.684 176.094 -0.265 0.000 1.055 262 V CA 2.004 64.034 62.300 -0.451 0.000 1.038 262 V CB -1.781 29.898 31.823 -0.241 0.000 0.651 262 V HN 0.594 nan 8.190 nan 0.000 0.450 263 G N -1.135 107.554 108.800 -0.184 0.000 2.432 263 G HA2 0.147 4.107 3.960 0.000 0.000 0.219 263 G HA3 0.147 4.107 3.960 0.000 0.000 0.219 263 G C 1.213 176.050 174.900 -0.106 0.000 1.135 263 G CA 1.182 46.201 45.100 -0.134 0.000 0.767 263 G HN 0.903 nan 8.290 nan 0.000 0.550 264 G N 1.245 109.984 108.800 -0.102 0.000 2.651 264 G HA2 -0.402 3.558 3.960 0.000 0.000 0.315 264 G HA3 -0.402 3.558 3.960 0.000 0.000 0.315 264 G C 1.216 176.096 174.900 -0.034 0.000 1.258 264 G CA 1.114 46.177 45.100 -0.062 0.000 1.002 264 G HN 0.729 nan 8.290 nan 0.000 0.551 265 E N 1.356 121.542 120.200 -0.024 0.000 2.442 265 E HA 0.355 4.706 4.350 0.000 0.000 0.195 265 E C 2.347 178.933 176.600 -0.024 0.000 1.030 265 E CA 1.481 57.871 56.400 -0.017 0.000 0.869 265 E CB -0.481 29.214 29.700 -0.008 0.000 0.857 265 E HN 1.156 nan 8.360 nan 0.000 0.505 266 A N 1.306 124.104 122.820 -0.037 0.000 2.119 266 A HA 0.107 4.428 4.320 0.000 0.000 0.216 266 A C 1.265 178.816 177.584 -0.056 0.000 1.152 266 A CA -0.177 51.830 52.037 -0.050 0.000 0.708 266 A CB -0.411 18.543 19.000 -0.077 0.000 0.805 266 A HN 0.263 nan 8.150 nan 0.000 0.460 267 L N 0.934 122.124 121.223 -0.054 0.000 2.540 267 L HA 0.067 4.407 4.340 0.000 0.000 0.276 267 L C 0.015 176.865 176.870 -0.033 0.000 1.212 267 L CA 0.155 54.967 54.840 -0.047 0.000 0.893 267 L CB 0.227 42.263 42.059 -0.039 0.000 1.138 267 L HN 0.197 nan 8.230 nan 0.000 0.491 268 D N 4.751 125.131 120.400 -0.032 0.000 2.508 268 D HA 0.068 4.709 4.640 0.000 0.000 0.224 268 D C 1.162 177.451 176.300 -0.019 0.000 1.171 268 D CA 0.032 54.017 54.000 -0.025 0.000 1.006 268 D CB 0.314 41.098 40.800 -0.026 0.000 1.073 268 D HN 0.584 nan 8.370 nan 0.000 0.513 269 R N 1.481 121.971 120.500 -0.016 0.000 2.105 269 R HA -0.135 4.205 4.340 0.000 0.000 0.239 269 R C 1.111 177.404 176.300 -0.013 0.000 1.135 269 R CA 1.134 57.227 56.100 -0.011 0.000 0.967 269 R CB 0.132 30.427 30.300 -0.009 0.000 0.861 269 R HN 0.382 nan 8.270 nan 0.000 0.442 270 D N 0.808 121.199 120.400 -0.016 0.000 2.144 270 D HA -0.154 4.486 4.640 0.000 0.000 0.199 270 D C 1.861 178.150 176.300 -0.019 0.000 0.984 270 D CA 0.852 54.841 54.000 -0.018 0.000 0.834 270 D CB -0.172 40.617 40.800 -0.018 0.000 0.955 270 D HN 0.063 nan 8.370 nan 0.000 0.465 271 L N 1.303 122.515 121.223 -0.018 0.000 2.005 271 L HA -0.039 4.302 4.340 0.000 0.000 0.207 271 L C 2.203 179.063 176.870 -0.017 0.000 1.072 271 L CA 1.744 56.573 54.840 -0.019 0.000 0.744 271 L CB -1.100 40.947 42.059 -0.020 0.000 0.895 271 L HN -0.030 nan 8.230 nan 0.000 0.433 272 A N -0.569 122.245 122.820 -0.011 0.000 1.978 272 A HA -0.106 4.214 4.320 0.000 0.000 0.220 272 A C 2.354 179.933 177.584 -0.007 0.000 1.170 272 A CA 1.672 53.709 52.037 -0.001 0.000 0.636 272 A CB -1.055 17.951 19.000 0.009 0.000 0.810 272 A HN 0.568 nan 8.150 nan 0.000 0.448 273 A N -0.782 122.028 122.820 -0.016 0.000 2.119 273 A HA -0.096 4.224 4.320 0.000 0.000 0.217 273 A C 1.879 179.439 177.584 -0.040 0.000 1.153 273 A CA 1.196 53.217 52.037 -0.027 0.000 0.692 273 A CB -0.404 18.581 19.000 -0.027 0.000 0.799 273 A HN 0.681 nan 8.150 nan 0.000 0.458 274 Q N -0.072 119.706 119.800 -0.036 0.000 2.482 274 Q HA 0.031 4.371 4.340 0.000 0.000 0.209 274 Q C 0.719 176.688 176.000 -0.052 0.000 0.961 274 Q CA 0.950 56.729 55.803 -0.041 0.000 0.945 274 Q CB -0.010 28.708 28.738 -0.033 0.000 1.012 274 Q HN 0.802 nan 8.270 nan 0.000 0.515 275 T N -5.896 108.622 114.554 -0.059 0.000 2.742 275 T HA 0.444 4.794 4.350 0.000 0.000 0.282 275 T C 1.073 175.681 174.700 -0.152 0.000 1.025 275 T CA -0.290 61.755 62.100 -0.092 0.000 1.020 275 T CB 1.040 69.879 68.868 -0.048 0.000 1.317 275 T HN -0.029 nan 8.240 nan 0.000 0.538 276 G N -0.232 108.368 108.800 -0.332 0.000 2.586 276 G HA2 0.023 3.983 3.960 0.000 0.000 0.215 276 G HA3 0.023 3.983 3.960 0.000 0.000 0.215 276 G C 1.227 176.066 174.900 -0.101 0.000 1.128 276 G CA 0.344 45.080 45.100 -0.607 0.000 0.774 276 G HN 0.653 nan 8.290 nan 0.000 0.543 277 L N -0.037 121.249 121.223 0.104 0.000 2.201 277 L HA 0.177 4.517 4.340 0.000 0.000 0.212 277 L C 1.882 178.795 176.870 0.072 0.000 1.105 277 L CA 0.561 55.498 54.840 0.162 0.000 0.775 277 L CB -0.691 41.447 42.059 0.131 0.000 0.913 277 L HN 0.439 nan 8.230 nan 0.000 0.440 278 G N 0.230 109.034 108.800 0.007 0.000 2.796 278 G HA2 -0.345 3.616 3.960 0.000 0.000 0.226 278 G HA3 -0.345 3.616 3.960 0.000 0.000 0.226 278 G C -0.157 174.745 174.900 0.002 0.000 1.381 278 G CA -0.181 44.913 45.100 -0.011 0.000 0.867 278 G HN 0.322 nan 8.290 nan 0.000 0.552 279 R N 0.058 120.555 120.500 -0.005 0.000 2.325 279 R HA 0.391 4.731 4.340 0.000 0.000 0.323 279 R C 0.692 176.998 176.300 0.010 0.000 1.177 279 R CA -0.494 55.605 56.100 -0.002 0.000 1.018 279 R CB -0.466 29.828 30.300 -0.010 0.000 1.070 279 R HN 0.412 nan 8.270 nan 0.000 0.495 280 I N 4.328 124.908 120.570 0.018 0.000 2.517 280 I HA -0.024 4.146 4.170 0.000 0.000 0.285 280 I C 0.466 176.596 176.117 0.022 0.000 1.106 280 I CA 0.466 61.782 61.300 0.027 0.000 1.402 280 I CB 0.758 38.778 38.000 0.034 0.000 1.399 280 I HN 0.463 nan 8.210 nan 0.000 0.535 281 E N 7.969 128.185 120.200 0.027 0.000 2.289 281 E HA 0.257 4.607 4.350 0.000 0.000 0.278 281 E C -2.211 174.410 176.600 0.034 0.000 1.032 281 E CA -1.823 54.592 56.400 0.025 0.000 0.854 281 E CB 0.431 30.145 29.700 0.024 0.000 1.046 281 E HN 0.329 nan 8.360 nan 0.000 0.409 282 P HA -0.028 nan 4.420 nan 0.000 0.267 282 P C -0.832 176.504 177.300 0.059 0.000 1.201 282 P CA 0.556 63.675 63.100 0.033 0.000 0.775 282 P CB 0.498 32.209 31.700 0.019 0.000 0.854 283 L N 1.783 123.064 121.223 0.096 0.000 2.371 283 L HA 0.401 4.741 4.340 0.000 0.000 0.262 283 L C 0.051 177.048 176.870 0.213 0.000 1.006 283 L CA -0.982 53.944 54.840 0.142 0.000 0.818 283 L CB 2.054 44.226 42.059 0.188 0.000 1.354 283 L HN 0.249 nan 8.230 nan 0.000 0.415 284 Q N 0.292 120.178 119.800 0.142 0.000 2.204 284 Q HA 0.419 4.760 4.340 0.000 0.000 0.254 284 Q C 0.748 176.764 176.000 0.028 0.000 0.981 284 Q CA -0.131 55.751 55.803 0.132 0.000 0.897 284 Q CB 1.941 30.694 28.738 0.026 0.000 1.273 284 Q HN 0.810 nan 8.270 nan 0.000 0.464 285 A N 1.287 124.101 122.820 -0.010 0.000 1.940 285 A HA -0.236 4.084 4.320 0.000 0.000 0.221 285 A C 1.733 179.135 177.584 -0.304 0.000 1.190 285 A CA 2.018 53.872 52.037 -0.305 0.000 0.647 285 A CB -0.427 18.473 19.000 -0.165 0.000 0.821 285 A HN 0.577 nan 8.150 nan 0.000 0.457 286 L N -1.041 120.018 121.223 -0.272 0.000 2.095 286 L HA 0.149 4.489 4.340 0.000 0.000 0.204 286 L C 2.744 179.309 176.870 -0.508 0.000 1.080 286 L CA 1.884 56.474 54.840 -0.418 0.000 0.759 286 L CB -0.778 41.053 42.059 -0.380 0.000 0.914 286 L HN 0.331 nan 8.230 nan 0.000 0.439 287 A N -0.767 121.905 122.820 -0.247 0.000 1.877 287 A HA -0.272 4.049 4.320 0.000 0.000 0.216 287 A C 2.259 179.790 177.584 -0.089 0.000 1.186 287 A CA 1.909 53.886 52.037 -0.100 0.000 0.620 287 A CB -1.173 17.827 19.000 0.000 0.000 0.822 287 A HN 0.510 nan 8.150 nan 0.000 0.443 288 F N 1.065 120.852 119.950 -0.272 0.000 2.069 288 F HA -0.152 4.376 4.527 0.000 0.000 0.298 288 F C 2.676 178.266 175.800 -0.349 0.000 1.113 288 F CA 1.839 59.644 58.000 -0.325 0.000 1.214 288 F CB -0.778 37.870 39.000 -0.587 0.000 0.978 288 F HN 0.227 nan 8.300 nan 0.000 0.474 289 S N -0.959 114.397 115.700 -0.573 0.000 2.400 289 S HA -0.251 4.219 4.470 0.000 0.000 0.232 289 S C 2.028 176.402 174.600 -0.376 0.000 1.025 289 S CA 1.692 59.562 58.200 -0.550 0.000 0.993 289 S CB -0.794 62.243 63.200 -0.271 0.000 0.808 289 S HN 0.702 nan 8.310 nan 0.000 0.478 290 H N 0.022 118.915 119.070 -0.296 0.000 2.357 290 H HA 0.059 4.615 4.556 0.000 0.000 0.301 290 H C 2.666 177.811 175.328 -0.305 0.000 1.082 290 H CA 1.097 57.008 56.048 -0.230 0.000 1.342 290 H CB 0.100 29.772 29.762 -0.151 0.000 1.389 290 H HN 0.198 nan 8.280 nan 0.000 0.511 291 R N 0.732 121.094 120.500 -0.230 0.000 2.080 291 R HA -0.133 4.208 4.340 0.000 0.000 0.236 291 R C 2.462 178.442 176.300 -0.532 0.000 1.137 291 R CA 0.946 56.859 56.100 -0.311 0.000 0.943 291 R CB -0.702 29.441 30.300 -0.262 0.000 0.846 291 R HN 0.346 nan 8.270 nan 0.000 0.431 292 L N 0.710 121.436 121.223 -0.828 0.000 2.013 292 L HA -0.221 4.120 4.340 0.000 0.000 0.212 292 L C 2.378 178.622 176.870 -1.044 0.000 1.073 292 L CA 1.600 55.682 54.840 -1.262 0.000 0.753 292 L CB -0.526 40.611 42.059 -1.536 0.000 0.890 292 L HN 0.265 nan 8.230 nan 0.000 0.432 293 E N -0.096 119.762 120.200 -0.569 0.000 2.085 293 E HA -0.289 4.061 4.350 0.000 0.000 0.194 293 E C 1.759 178.235 176.600 -0.207 0.000 0.994 293 E CA 1.727 57.996 56.400 -0.219 0.000 0.801 293 E CB -0.110 29.555 29.700 -0.058 0.000 0.743 293 E HN 0.467 nan 8.360 nan 0.000 0.453 294 D N 0.460 120.703 120.400 -0.262 0.000 2.084 294 D HA -0.142 4.499 4.640 0.000 0.000 0.194 294 D C 1.945 178.083 176.300 -0.270 0.000 0.990 294 D CA 1.030 54.895 54.000 -0.226 0.000 0.826 294 D CB -0.074 40.601 40.800 -0.208 0.000 0.971 294 D HN 0.063 nan 8.370 nan 0.000 0.453 295 L N -0.632 120.369 121.223 -0.370 0.000 2.042 295 L HA -0.147 4.194 4.340 0.000 0.000 0.210 295 L C 2.026 178.802 176.870 -0.157 0.000 1.076 295 L CA 0.748 55.389 54.840 -0.332 0.000 0.749 295 L CB -0.578 41.210 42.059 -0.451 0.000 0.893 295 L HN 0.104 nan 8.230 nan 0.000 0.432 296 F N -0.181 119.682 119.950 -0.146 0.000 2.802 296 F HA 0.065 4.592 4.527 0.000 0.000 0.300 296 F C 2.069 177.834 175.800 -0.058 0.000 1.168 296 F CA 0.569 58.520 58.000 -0.082 0.000 1.433 296 F CB -1.016 37.920 39.000 -0.106 0.000 1.115 296 F HN -0.022 nan 8.300 nan 0.000 0.582 297 G N 0.015 108.838 108.800 0.039 0.000 2.748 297 G HA2 -0.014 3.946 3.960 0.000 0.000 0.204 297 G HA3 -0.014 3.946 3.960 0.000 0.000 0.204 297 G C 1.670 176.519 174.900 -0.085 0.000 1.095 297 G CA -0.106 44.992 45.100 -0.003 0.000 0.775 297 G HN 0.333 nan 8.290 nan 0.000 0.531 298 R N -0.874 119.481 120.500 -0.242 0.000 2.280 298 R HA 0.120 4.461 4.340 0.000 0.000 0.207 298 R C -0.223 175.861 176.300 -0.360 0.000 1.043 298 R CA 0.406 56.286 56.100 -0.367 0.000 1.006 298 R CB -0.353 29.614 30.300 -0.555 0.000 0.885 298 R HN 0.314 nan 8.270 nan 0.000 0.467 299 Y N 0.936 121.265 120.300 0.049 0.000 2.549 299 Y HA 0.438 4.988 4.550 0.000 0.000 0.339 299 Y C 0.284 176.216 175.900 0.053 0.000 1.053 299 Y CA -1.984 56.148 58.100 0.054 0.000 1.105 299 Y CB 0.875 39.376 38.460 0.068 0.000 1.258 299 Y HN -0.243 nan 8.280 nan 0.000 0.478 300 R N 2.795 123.427 120.500 0.221 0.000 2.811 300 R HA 0.027 4.367 4.340 0.000 0.000 0.265 300 R C -1.562 174.816 176.300 0.131 0.000 1.026 300 R CA -0.761 55.419 56.100 0.133 0.000 1.142 300 R CB -0.114 30.246 30.300 0.101 0.000 1.027 300 R HN 0.435 nan 8.270 nan 0.000 0.465 301 P HA -0.200 nan 4.420 nan 0.000 0.218 301 P C 0.244 177.583 177.300 0.066 0.000 1.149 301 P CA 1.466 64.610 63.100 0.073 0.000 0.817 301 P CB 0.193 31.921 31.700 0.048 0.000 0.785 302 E N -0.244 119.995 120.200 0.066 0.000 2.077 302 E HA -0.100 4.251 4.350 0.000 0.000 0.193 302 E C 2.125 178.777 176.600 0.087 0.000 0.989 302 E CA 1.030 57.467 56.400 0.062 0.000 0.800 302 E CB -0.358 29.381 29.700 0.064 0.000 0.746 302 E HN 0.079 nan 8.360 nan 0.000 0.452 303 V N 0.704 120.678 119.914 0.100 0.000 2.323 303 V HA -0.209 3.911 4.120 0.000 0.000 0.244 303 V C 2.359 178.514 176.094 0.102 0.000 1.041 303 V CA 1.167 63.521 62.300 0.090 0.000 1.025 303 V CB -0.282 31.577 31.823 0.060 0.000 0.656 303 V HN 0.125 nan 8.190 nan 0.000 0.451 304 V N 0.310 120.312 119.914 0.146 0.000 2.324 304 V HA -0.295 3.825 4.120 0.000 0.000 0.250 304 V C 2.467 178.609 176.094 0.080 0.000 1.060 304 V CA 2.144 64.542 62.300 0.164 0.000 1.042 304 V CB -0.863 31.058 31.823 0.164 0.000 0.650 304 V HN 0.509 nan 8.190 nan 0.000 0.450 305 R N -0.076 120.450 120.500 0.043 0.000 2.276 305 R HA 0.143 4.484 4.340 0.000 0.000 0.203 305 R C 1.771 178.087 176.300 0.025 0.000 1.017 305 R CA 0.932 57.037 56.100 0.008 0.000 1.010 305 R CB -0.180 30.114 30.300 -0.010 0.000 0.900 305 R HN 0.517 nan 8.270 nan 0.000 0.469 306 A N 0.254 123.115 122.820 0.069 0.000 2.431 306 A HA 0.112 4.433 4.320 0.000 0.000 0.239 306 A C 0.560 178.209 177.584 0.108 0.000 1.230 306 A CA -0.326 51.779 52.037 0.114 0.000 0.928 306 A CB 0.338 19.501 19.000 0.272 0.000 1.006 306 A HN 0.033 nan 8.150 nan 0.000 0.520 310 L N -1.820 119.292 121.223 -0.185 0.000 2.303 310 L HA 0.713 5.053 4.340 0.000 0.000 0.266 310 L C -0.141 176.650 176.870 -0.133 0.000 1.011 310 L CA -0.932 53.821 54.840 -0.145 0.000 0.818 310 L CB 1.728 43.669 42.059 -0.198 0.000 1.326 310 L HN 0.236 nan 8.230 nan 0.000 0.435 311 L N 0.001 121.188 121.223 -0.060 0.000 2.500 311 L HA 0.245 4.585 4.340 0.000 0.000 0.219 311 L C 0.726 177.584 176.870 -0.020 0.000 1.057 311 L CA 0.802 55.627 54.840 -0.025 0.000 0.854 311 L CB 0.654 42.720 42.059 0.012 0.000 1.078 311 L HN 0.996 nan 8.230 nan 0.000 0.480 312 T N -3.390 111.144 114.554 -0.033 0.000 2.754 312 T HA 0.701 5.051 4.350 0.000 0.000 0.296 312 T C -0.418 174.184 174.700 -0.165 0.000 1.205 312 T CA -0.118 61.944 62.100 -0.064 0.000 1.009 312 T CB 2.300 71.137 68.868 -0.052 0.000 1.368 312 T HN 0.104 nan 8.240 nan 0.000 0.509 313 S N -0.826 114.643 115.700 -0.385 0.000 2.755 313 S HA 0.323 4.793 4.470 0.000 0.000 0.286 313 S C 0.632 174.635 174.600 -0.995 0.000 1.207 313 S CA -0.186 57.645 58.200 -0.614 0.000 0.892 313 S CB 0.129 63.255 63.200 -0.123 0.000 1.240 313 S HN 1.230 nan 8.310 nan 0.000 0.525 314 H N 0.266 118.955 119.070 -0.634 0.000 2.559 314 H HA 0.230 4.786 4.556 0.000 0.000 0.273 314 H C -0.149 175.097 175.328 -0.136 0.000 1.000 314 H CA 1.044 56.923 56.048 -0.282 0.000 1.195 314 H CB -0.529 29.331 29.762 0.164 0.000 1.368 314 H HN 0.556 nan 8.280 nan 0.000 0.592 315 D N 1.375 121.435 120.400 -0.566 0.000 2.363 315 D HA 0.056 4.696 4.640 0.000 0.000 0.214 315 D C 0.696 176.946 176.300 -0.083 0.000 1.093 315 D CA 0.476 54.306 54.000 -0.282 0.000 0.837 315 D CB 0.890 41.602 40.800 -0.147 0.000 0.948 315 D HN 0.546 nan 8.370 nan 0.000 0.507 316 T N -2.422 112.059 114.554 -0.122 0.000 2.916 316 T HA 0.603 4.953 4.350 0.000 0.000 0.292 316 T C -3.044 171.606 174.700 -0.084 0.000 1.064 316 T CA -2.263 59.809 62.100 -0.046 0.000 1.011 316 T CB 2.656 71.531 68.868 0.012 0.000 1.152 316 T HN -0.362 nan 8.240 nan 0.000 0.510 317 P HA 0.368 nan 4.420 nan 0.000 0.274 317 P C -0.298 176.978 177.300 -0.039 0.000 1.246 317 P CA -0.676 62.399 63.100 -0.041 0.000 0.795 317 P CB 0.435 32.118 31.700 -0.027 0.000 1.006 318 R N 0.950 121.435 120.500 -0.024 0.000 2.594 318 R HA 0.105 4.445 4.340 0.000 0.000 0.272 318 R C 1.385 177.678 176.300 -0.012 0.000 1.074 318 R CA -0.574 55.523 56.100 -0.005 0.000 1.105 318 R CB -0.043 30.253 30.300 -0.006 0.000 1.008 318 R HN 0.417 nan 8.270 nan 0.000 0.472 319 L N 3.438 124.660 121.223 -0.002 0.000 1.978 319 L HA -0.253 4.087 4.340 0.000 0.000 0.218 319 L C 1.890 178.743 176.870 -0.028 0.000 1.075 319 L CA 1.828 56.661 54.840 -0.011 0.000 0.767 319 L CB -0.643 41.416 42.059 0.001 0.000 0.890 319 L HN 0.656 nan 8.230 nan 0.000 0.434 320 L N -1.079 120.127 121.223 -0.029 0.000 2.189 320 L HA -0.201 4.139 4.340 0.000 0.000 0.214 320 L C 2.411 179.256 176.870 -0.040 0.000 1.097 320 L CA 1.923 56.740 54.840 -0.039 0.000 0.764 320 L CB -0.680 41.359 42.059 -0.033 0.000 0.900 320 L HN 0.355 nan 8.230 nan 0.000 0.436 321 S N -1.256 114.424 115.700 -0.034 0.000 2.406 321 S HA 0.081 4.552 4.470 0.000 0.000 0.224 321 S C 0.877 175.455 174.600 -0.035 0.000 1.030 321 S CA -0.205 57.975 58.200 -0.033 0.000 0.958 321 S CB -0.087 63.095 63.200 -0.029 0.000 0.811 321 S HN 0.139 nan 8.310 nan 0.000 0.489 325 G N 0.826 109.593 108.800 -0.054 0.000 2.176 325 G HA2 -0.303 3.657 3.960 0.000 0.000 0.232 325 G HA3 -0.303 3.657 3.960 0.000 0.000 0.232 325 G C 0.024 174.887 174.900 -0.062 0.000 0.986 325 G CA 0.295 45.366 45.100 -0.047 0.000 0.643 325 G HN 0.267 nan 8.290 nan 0.000 0.522 326 S N 0.615 116.259 115.700 -0.093 0.000 2.498 326 S HA 0.446 4.916 4.470 0.000 0.000 0.314 326 S C 1.876 176.394 174.600 -0.137 0.000 1.141 326 S CA 0.254 58.375 58.200 -0.132 0.000 1.087 326 S CB 0.773 63.848 63.200 -0.209 0.000 1.178 326 S HN 0.669 nan 8.310 nan 0.000 0.533 327 V N 5.790 125.648 119.914 -0.092 0.000 2.332 327 V HA -0.217 3.903 4.120 0.000 0.000 0.248 327 V C 2.503 178.541 176.094 -0.093 0.000 1.055 327 V CA 2.384 64.643 62.300 -0.069 0.000 1.038 327 V CB -0.817 30.988 31.823 -0.030 0.000 0.651 327 V HN 0.976 nan 8.190 nan 0.000 0.450 328 E N 0.367 120.495 120.200 -0.119 0.000 2.118 328 E HA -0.262 4.089 4.350 0.000 0.000 0.195 328 E C 2.310 178.761 176.600 -0.250 0.000 0.992 328 E CA 1.383 57.709 56.400 -0.124 0.000 0.804 328 E CB -0.374 29.283 29.700 -0.072 0.000 0.741 328 E HN 0.504 nan 8.360 nan 0.000 0.458 329 R N 0.580 120.816 120.500 -0.440 0.000 2.062 329 R HA 0.015 4.355 4.340 0.000 0.000 0.229 329 R C 2.573 178.746 176.300 -0.212 0.000 1.128 329 R CA 1.130 56.948 56.100 -0.470 0.000 0.960 329 R CB -0.409 29.573 30.300 -0.531 0.000 0.855 329 R HN 0.290 nan 8.270 nan 0.000 0.432 330 A N 1.281 124.009 122.820 -0.154 0.000 1.940 330 A HA -0.214 4.106 4.320 0.000 0.000 0.219 330 A C 2.158 179.720 177.584 -0.036 0.000 1.176 330 A CA 1.487 53.478 52.037 -0.077 0.000 0.631 330 A CB -0.474 18.491 19.000 -0.059 0.000 0.814 330 A HN 0.238 nan 8.150 nan 0.000 0.446 331 R N -0.985 119.493 120.500 -0.037 0.000 2.075 331 R HA -0.080 4.260 4.340 0.000 0.000 0.232 331 R C 2.006 178.324 176.300 0.030 0.000 1.126 331 R CA 1.554 57.655 56.100 0.002 0.000 0.963 331 R CB -0.361 29.941 30.300 0.003 0.000 0.858 331 R HN 0.423 nan 8.270 nan 0.000 0.435 332 L N 0.636 121.872 121.223 0.023 0.000 2.201 332 L HA 0.024 4.364 4.340 0.000 0.000 0.212 332 L C 2.126 179.041 176.870 0.076 0.000 1.105 332 L CA 1.843 56.725 54.840 0.071 0.000 0.775 332 L CB -0.414 41.705 42.059 0.099 0.000 0.913 332 L HN 0.252 nan 8.230 nan 0.000 0.440 333 A N -0.541 122.298 122.820 0.031 0.000 1.873 333 A HA -0.140 4.180 4.320 0.000 0.000 0.215 333 A C 2.227 179.868 177.584 0.095 0.000 1.186 333 A CA 1.879 53.942 52.037 0.042 0.000 0.616 333 A CB -0.794 18.205 19.000 -0.002 0.000 0.823 333 A HN 0.454 nan 8.150 nan 0.000 0.442 334 L N -0.745 120.539 121.223 0.101 0.000 2.056 334 L HA -0.170 4.170 4.340 0.000 0.000 0.207 334 L C 3.118 180.149 176.870 0.269 0.000 1.078 334 L CA 1.042 55.983 54.840 0.169 0.000 0.749 334 L CB -0.550 41.598 42.059 0.148 0.000 0.901 334 L HN 0.432 nan 8.230 nan 0.000 0.433 335 A N 0.006 122.941 122.820 0.193 0.000 1.883 335 A HA -0.245 4.075 4.320 0.000 0.000 0.217 335 A C 2.203 179.955 177.584 0.279 0.000 1.186 335 A CA 1.759 53.917 52.037 0.203 0.000 0.624 335 A CB -0.804 18.265 19.000 0.115 0.000 0.822 335 A HN 0.324 nan 8.150 nan 0.000 0.444 336 L N -0.194 121.181 121.223 0.253 0.000 2.127 336 L HA -0.124 4.216 4.340 0.000 0.000 0.211 336 L C 2.188 179.228 176.870 0.284 0.000 1.089 336 L CA 1.532 56.557 54.840 0.308 0.000 0.757 336 L CB -0.561 41.682 42.059 0.307 0.000 0.899 336 L HN 0.422 nan 8.230 nan 0.000 0.434 337 L N -1.848 119.496 121.223 0.201 0.000 2.131 337 L HA -0.211 4.129 4.340 0.000 0.000 0.210 337 L C 2.048 178.888 176.870 -0.050 0.000 1.092 337 L CA 1.161 56.028 54.840 0.044 0.000 0.759 337 L CB -0.460 41.538 42.059 -0.101 0.000 0.903 337 L HN 0.204 nan 8.230 nan 0.000 0.435 338 F N -0.820 119.162 119.950 0.053 0.000 2.748 338 F HA -0.005 4.522 4.527 0.000 0.000 0.299 338 F C 1.563 177.405 175.800 0.070 0.000 1.154 338 F CA 0.492 58.503 58.000 0.019 0.000 1.446 338 F CB 0.019 38.986 39.000 -0.055 0.000 1.112 338 F HN -0.029 nan 8.300 nan 0.000 0.584 339 L N 0.315 121.711 121.223 0.289 0.000 2.818 339 L HA 0.297 4.637 4.340 0.000 0.000 0.243 339 L C -0.359 176.740 176.870 0.382 0.000 1.185 339 L CA 0.107 55.133 54.840 0.310 0.000 0.988 339 L CB -0.083 42.200 42.059 0.373 0.000 1.292 339 L HN 0.009 nan 8.230 nan 0.000 0.519 340 L N -0.102 121.262 121.223 0.235 0.000 2.350 340 L HA 0.579 4.919 4.340 0.000 0.000 0.260 340 L C -2.428 174.440 176.870 -0.003 0.000 1.015 340 L CA -1.967 52.964 54.840 0.152 0.000 0.821 340 L CB 2.379 44.558 42.059 0.200 0.000 1.370 340 L HN -0.201 nan 8.230 nan 0.000 0.416 341 P HA 0.354 nan 4.420 nan 0.000 0.276 341 P C -0.164 177.068 177.300 -0.113 0.000 1.230 341 P CA 0.339 63.304 63.100 -0.224 0.000 0.776 341 P CB 1.421 32.851 31.700 -0.450 0.000 0.888 342 G N 2.527 111.304 108.800 -0.037 0.000 2.331 342 G HA2 -0.091 3.869 3.960 0.000 0.000 0.402 342 G HA3 -0.091 3.869 3.960 0.000 0.000 0.402 342 G C -1.503 173.405 174.900 0.014 0.000 1.275 342 G CA -0.827 44.279 45.100 0.009 0.000 1.003 342 G HN 0.523 nan 8.290 nan 0.000 0.500 343 N N 2.435 121.151 118.700 0.026 0.000 2.457 343 N HA 0.451 5.191 4.740 0.000 0.000 0.250 343 N C -2.584 172.950 175.510 0.039 0.000 0.982 343 N CA -1.023 52.082 53.050 0.092 0.000 0.941 343 N CB 1.936 40.527 38.487 0.174 0.000 1.120 343 N HN 0.379 nan 8.380 nan 0.000 0.505 344 P HA 0.083 nan 4.420 nan 0.000 0.271 344 P C -0.627 176.691 177.300 0.030 0.000 1.226 344 P CA 0.054 62.960 63.100 -0.324 0.000 0.765 344 P CB 0.632 31.625 31.700 -1.178 0.000 0.835 345 T N 2.785 117.379 114.554 0.066 0.000 2.841 345 T HA 0.361 4.711 4.350 0.000 0.000 0.285 345 T C -0.195 174.652 174.700 0.246 0.000 0.991 345 T CA -0.456 61.810 62.100 0.278 0.000 0.966 345 T CB 1.250 70.225 68.868 0.179 0.000 0.962 345 T HN 0.060 nan 8.240 nan 0.000 0.438 346 V N 3.664 123.816 119.914 0.396 0.000 2.459 346 V HA 0.372 4.492 4.120 0.000 0.000 0.295 346 V C -0.770 175.379 176.094 0.092 0.000 1.029 346 V CA -1.032 61.442 62.300 0.291 0.000 0.874 346 V CB 1.268 33.386 31.823 0.491 0.000 0.985 346 V HN 0.827 nan 8.190 nan 0.000 0.438 347 Y N 6.297 126.558 120.300 -0.065 0.000 2.335 347 Y HA 0.390 4.940 4.550 0.000 0.000 0.331 347 Y C 0.189 175.922 175.900 -0.279 0.000 1.094 347 Y CA -1.522 56.501 58.100 -0.128 0.000 1.253 347 Y CB 0.307 38.727 38.460 -0.067 0.000 1.203 347 Y HN 0.734 nan 8.280 nan 0.000 0.508 348 Y N 4.596 124.374 120.300 -0.869 0.000 2.987 348 Y HA 0.279 4.830 4.550 0.000 0.000 0.339 348 Y C 1.077 176.728 175.900 -0.416 0.000 1.272 348 Y CA 0.023 57.727 58.100 -0.661 0.000 1.562 348 Y CB -0.093 38.178 38.460 -0.315 0.000 1.253 348 Y HN 0.967 nan 8.280 nan 0.000 0.604 349 G N 2.587 111.234 108.800 -0.255 0.000 2.268 349 G HA2 -0.324 3.636 3.960 0.000 0.000 0.240 349 G HA3 -0.324 3.636 3.960 0.000 0.000 0.240 349 G C 0.969 175.738 174.900 -0.218 0.000 1.010 349 G CA 0.277 45.176 45.100 -0.335 0.000 0.618 349 G HN 0.603 nan 8.290 nan 0.000 0.516 350 E N 1.022 121.127 120.200 -0.158 0.000 2.150 350 E HA -0.088 4.263 4.350 0.000 0.000 0.193 350 E C 2.380 178.978 176.600 -0.003 0.000 0.985 350 E CA 1.333 57.706 56.400 -0.045 0.000 0.814 350 E CB -0.219 29.498 29.700 0.029 0.000 0.752 350 E HN 0.855 nan 8.360 nan 0.000 0.466 351 E N 1.328 121.551 120.200 0.038 0.000 2.338 351 E HA -0.098 4.252 4.350 0.000 0.000 0.197 351 E C 1.686 178.253 176.600 -0.056 0.000 1.007 351 E CA 1.153 57.580 56.400 0.044 0.000 0.849 351 E CB -0.158 29.625 29.700 0.138 0.000 0.774 351 E HN 0.226 nan 8.360 nan 0.000 0.506 352 V N -2.815 117.021 119.914 -0.132 0.000 3.319 352 V HA 0.503 4.623 4.120 0.000 0.000 0.317 352 V C 0.879 176.948 176.094 -0.041 0.000 1.411 352 V CA -0.028 62.167 62.300 -0.175 0.000 1.112 352 V CB -0.375 31.137 31.823 -0.519 0.000 1.031 352 V HN 0.355 nan 8.190 nan 0.000 0.448 356 G N -0.985 107.794 108.800 -0.035 0.000 2.384 356 G HA2 0.642 4.602 3.960 0.000 0.000 0.300 356 G HA3 0.642 4.602 3.960 0.000 0.000 0.300 356 G C -0.050 174.831 174.900 -0.031 0.000 1.582 356 G CA 0.402 45.481 45.100 -0.035 0.000 0.875 356 G HN 1.832 nan 8.290 nan 0.000 0.628 357 G N -0.425 108.356 108.800 -0.031 0.000 2.582 357 G HA2 0.612 4.572 3.960 0.000 0.000 0.232 357 G HA3 0.612 4.572 3.960 0.000 0.000 0.232 357 G C 0.575 175.453 174.900 -0.036 0.000 1.458 357 G CA 0.003 45.084 45.100 -0.031 0.000 1.062 357 G HN 1.044 nan 8.290 nan 0.000 0.566 358 K N -0.156 120.222 120.400 -0.036 0.000 2.187 358 K HA 0.138 4.458 4.320 0.000 0.000 0.247 358 K C -0.258 176.314 176.600 -0.047 0.000 1.019 358 K CA -0.348 55.912 56.287 -0.044 0.000 0.893 358 K CB 0.429 32.905 32.500 -0.040 0.000 1.025 358 K HN 0.280 nan 8.250 nan 0.000 0.500 359 D N 1.533 121.898 120.400 -0.057 0.000 2.658 359 D HA -0.067 4.573 4.640 0.000 0.000 0.230 359 D C -1.282 174.996 176.300 -0.037 0.000 1.118 359 D CA -1.209 52.757 54.000 -0.056 0.000 0.848 359 D CB 0.833 41.594 40.800 -0.065 0.000 1.160 359 D HN 0.458 nan 8.370 nan 0.000 0.497 360 P HA 0.058 nan 4.420 nan 0.000 0.261 360 P C 0.500 177.759 177.300 -0.068 0.000 1.268 360 P CA 0.191 63.258 63.100 -0.056 0.000 0.833 360 P CB 0.326 32.002 31.700 -0.039 0.000 1.231 361 E N 1.503 121.672 120.200 -0.051 0.000 2.267 361 E HA -0.153 4.197 4.350 0.000 0.000 0.197 361 E C 1.130 177.697 176.600 -0.054 0.000 0.998 361 E CA 1.021 57.391 56.400 -0.050 0.000 0.830 361 E CB -0.360 29.317 29.700 -0.038 0.000 0.751 361 E HN 0.434 nan 8.360 nan 0.000 0.491 362 N N 0.621 119.290 118.700 -0.050 0.000 2.383 362 N HA -0.057 4.684 4.740 0.000 0.000 0.192 362 N C 0.413 175.928 175.510 0.009 0.000 1.141 362 N CA 0.186 53.226 53.050 -0.016 0.000 0.851 362 N CB 0.147 38.623 38.487 -0.019 0.000 0.976 362 N HN 0.040 nan 8.380 nan 0.000 0.465 363 R N 0.266 120.715 120.500 -0.085 0.000 2.865 363 R HA 0.335 4.675 4.340 0.000 0.000 0.370 363 R C 0.475 176.697 176.300 -0.129 0.000 1.168 363 R CA -0.368 55.634 56.100 -0.163 0.000 1.058 363 R CB 0.706 30.723 30.300 -0.471 0.000 1.419 363 R HN 0.109 nan 8.270 nan 0.000 0.580 364 G N -0.221 108.525 108.800 -0.091 0.000 2.667 364 G HA2 0.308 4.268 3.960 0.000 0.000 0.250 364 G HA3 0.308 4.268 3.960 0.000 0.000 0.250 364 G C 0.398 175.217 174.900 -0.135 0.000 1.212 364 G CA -0.271 44.754 45.100 -0.126 0.000 0.874 364 G HN 0.268 nan 8.290 nan 0.000 0.561 368 W N 1.120 122.533 121.300 0.188 0.000 3.220 368 W HA 0.335 4.995 4.660 0.000 0.000 0.328 368 W C 1.133 177.545 176.519 -0.178 0.000 1.205 368 W CA -0.175 57.216 57.345 0.076 0.000 1.773 368 W CB 0.706 30.101 29.460 -0.110 0.000 1.086 368 W HN 0.697 nan 8.180 nan 0.000 0.622 369 E N 1.796 121.961 120.200 -0.057 0.000 1.944 369 E HA 0.002 4.353 4.350 0.000 0.000 0.272 369 E C 1.072 177.265 176.600 -0.679 0.000 1.195 369 E CA 0.377 56.628 56.400 -0.248 0.000 0.926 369 E CB 0.351 29.984 29.700 -0.110 0.000 1.051 369 E HN 0.271 nan 8.360 nan 0.000 0.404 370 E N 3.434 123.020 120.200 -1.022 0.000 2.114 370 E HA -0.320 4.030 4.350 0.000 0.000 0.199 370 E C 1.602 177.801 176.600 -0.669 0.000 1.008 370 E CA 1.461 56.975 56.400 -1.477 0.000 0.810 370 E CB -0.195 28.937 29.700 -0.946 0.000 0.739 370 E HN 0.728 nan 8.360 nan 0.000 0.456 371 A N 0.897 123.497 122.820 -0.367 0.000 2.186 371 A HA -0.178 4.142 4.320 0.000 0.000 0.219 371 A C 1.816 179.335 177.584 -0.107 0.000 1.159 371 A CA 1.157 53.091 52.037 -0.171 0.000 0.680 371 A CB -0.302 18.627 19.000 -0.118 0.000 0.787 371 A HN 0.118 nan 8.150 nan 0.000 0.467 372 R N -2.249 118.162 120.500 -0.148 0.000 2.365 372 R HA 0.074 4.414 4.340 0.000 0.000 0.223 372 R C -0.465 175.921 176.300 0.144 0.000 0.899 372 R CA -0.511 55.584 56.100 -0.008 0.000 1.059 372 R CB 0.223 30.524 30.300 0.001 0.000 1.086 372 R HN 0.529 nan 8.270 nan 0.000 0.522 373 W N 1.721 123.022 121.300 0.001 0.000 2.184 373 W HA 0.182 4.842 4.660 0.000 0.000 0.338 373 W C 0.693 177.219 176.519 0.011 0.000 1.257 373 W CA -0.873 56.474 57.345 0.003 0.000 1.243 373 W CB 0.175 29.651 29.460 0.026 0.000 1.122 373 W HN -0.142 nan 8.180 nan 0.000 0.585 374 Q N 3.057 122.998 119.800 0.234 0.000 2.423 374 Q HA 0.016 4.356 4.340 0.000 0.000 0.235 374 Q C 1.290 177.373 176.000 0.139 0.000 1.100 374 Q CA 0.047 55.929 55.803 0.132 0.000 0.908 374 Q CB 0.642 29.422 28.738 0.069 0.000 1.312 374 Q HN 0.297 nan 8.270 nan 0.000 0.497 375 K N 1.774 122.267 120.400 0.155 0.000 2.113 375 K HA -0.202 4.118 4.320 0.000 0.000 0.208 375 K C 1.176 177.827 176.600 0.085 0.000 1.047 375 K CA 1.383 57.757 56.287 0.144 0.000 0.928 375 K CB 0.148 32.723 32.500 0.124 0.000 0.716 375 K HN 0.499 nan 8.250 nan 0.000 0.446 376 D N 0.787 121.224 120.400 0.062 0.000 2.117 376 D HA -0.099 4.541 4.640 0.000 0.000 0.197 376 D C 2.009 178.324 176.300 0.025 0.000 0.987 376 D CA 0.870 54.893 54.000 0.038 0.000 0.829 376 D CB 0.015 40.834 40.800 0.032 0.000 0.961 376 D HN 0.071 nan 8.370 nan 0.000 0.460 377 L N -0.243 120.996 121.223 0.026 0.000 2.027 377 L HA -0.073 4.267 4.340 0.000 0.000 0.206 377 L C 2.804 179.676 176.870 0.004 0.000 1.074 377 L CA 1.081 55.929 54.840 0.013 0.000 0.745 377 L CB -0.454 41.612 42.059 0.012 0.000 0.898 377 L HN 0.030 nan 8.230 nan 0.000 0.433 378 R N -0.007 120.498 120.500 0.007 0.000 2.081 378 R HA -0.169 4.171 4.340 0.000 0.000 0.235 378 R C 2.256 178.544 176.300 -0.020 0.000 1.131 378 R CA 1.259 57.351 56.100 -0.014 0.000 0.960 378 R CB 0.031 30.318 30.300 -0.022 0.000 0.856 378 R HN 0.249 nan 8.270 nan 0.000 0.436 379 E N -0.199 120.002 120.200 0.000 0.000 2.110 379 E HA -0.131 4.219 4.350 0.000 0.000 0.193 379 E C 1.943 178.511 176.600 -0.055 0.000 0.988 379 E CA 1.741 58.132 56.400 -0.015 0.000 0.804 379 E CB -0.365 29.340 29.700 0.008 0.000 0.745 379 E HN 0.381 nan 8.360 nan 0.000 0.458 380 T N 1.103 115.625 114.554 -0.053 0.000 2.708 380 T HA -0.098 4.253 4.350 0.000 0.000 0.266 380 T C 2.174 176.760 174.700 -0.189 0.000 1.037 380 T CA 1.347 63.396 62.100 -0.086 0.000 1.146 380 T CB -0.319 68.523 68.868 -0.043 0.000 0.865 380 T HN -0.030 nan 8.240 nan 0.000 0.435 381 V N 1.712 121.515 119.914 -0.184 0.000 2.261 381 V HA -0.209 3.912 4.120 0.000 0.000 0.246 381 V C 2.527 178.366 176.094 -0.424 0.000 1.047 381 V CA 1.851 63.938 62.300 -0.354 0.000 1.015 381 V CB -0.598 31.160 31.823 -0.108 0.000 0.642 381 V HN 0.449 nan 8.190 nan 0.000 0.446 382 K N 0.129 120.409 120.400 -0.199 0.000 2.009 382 K HA -0.295 4.026 4.320 0.000 0.000 0.210 382 K C 2.359 178.854 176.600 -0.176 0.000 1.049 382 K CA 2.122 58.324 56.287 -0.141 0.000 0.929 382 K CB -0.184 32.268 32.500 -0.081 0.000 0.714 382 K HN 0.228 nan 8.250 nan 0.000 0.440 383 R N 0.734 121.134 120.500 -0.166 0.000 2.080 383 R HA -0.095 4.246 4.340 0.000 0.000 0.236 383 R C 2.129 178.313 176.300 -0.195 0.000 1.137 383 R CA 1.609 57.625 56.100 -0.140 0.000 0.943 383 R CB -0.715 29.523 30.300 -0.105 0.000 0.846 383 R HN 0.234 nan 8.270 nan 0.000 0.431 384 L N 0.156 121.184 121.223 -0.324 0.000 2.291 384 L HA 0.102 4.442 4.340 0.000 0.000 0.214 384 L C 2.213 178.790 176.870 -0.488 0.000 1.120 384 L CA 1.488 56.101 54.840 -0.379 0.000 0.799 384 L CB -0.504 41.304 42.059 -0.418 0.000 0.925 384 L HN 0.331 nan 8.230 nan 0.000 0.446 385 A N -0.540 121.890 122.820 -0.651 0.000 1.898 385 A HA -0.162 4.158 4.320 0.000 0.000 0.214 385 A C 2.415 179.966 177.584 -0.054 0.000 1.183 385 A CA 1.247 53.069 52.037 -0.359 0.000 0.622 385 A CB -0.348 18.491 19.000 -0.270 0.000 0.824 385 A HN 0.289 nan 8.150 nan 0.000 0.444 386 R N -0.600 119.853 120.500 -0.078 0.000 2.073 386 R HA -0.082 4.258 4.340 0.000 0.000 0.234 386 R C 1.820 178.118 176.300 -0.003 0.000 1.134 386 R CA 1.464 57.551 56.100 -0.023 0.000 0.952 386 R CB -0.776 29.502 30.300 -0.036 0.000 0.850 386 R HN 0.358 nan 8.270 nan 0.000 0.433 387 L N 0.853 122.076 121.223 -0.001 0.000 1.990 387 L HA -0.146 4.194 4.340 0.000 0.000 0.213 387 L C 2.547 179.487 176.870 0.117 0.000 1.072 387 L CA 2.051 56.946 54.840 0.091 0.000 0.755 387 L CB -0.699 41.377 42.059 0.029 0.000 0.889 387 L HN 0.224 nan 8.230 nan 0.000 0.432 388 R N -0.688 119.858 120.500 0.076 0.000 2.105 388 R HA -0.241 4.099 4.340 0.000 0.000 0.239 388 R C 2.297 178.650 176.300 0.089 0.000 1.135 388 R CA 1.626 57.790 56.100 0.107 0.000 0.967 388 R CB -0.058 30.360 30.300 0.196 0.000 0.861 388 R HN 0.128 nan 8.270 nan 0.000 0.442 389 K N 0.961 121.403 120.400 0.069 0.000 2.057 389 K HA -0.122 4.198 4.320 0.000 0.000 0.206 389 K C 1.455 178.043 176.600 -0.020 0.000 1.050 389 K CA 1.853 58.167 56.287 0.045 0.000 0.935 389 K CB 0.108 32.636 32.500 0.046 0.000 0.715 389 K HN 0.313 nan 8.250 nan 0.000 0.439 390 E N -0.926 119.215 120.200 -0.099 0.000 2.299 390 E HA -0.047 4.303 4.350 0.000 0.000 0.193 390 E C -0.093 176.243 176.600 -0.441 0.000 0.998 390 E CA 0.457 56.690 56.400 -0.279 0.000 0.851 390 E CB 0.111 29.576 29.700 -0.391 0.000 0.795 390 E HN 0.351 nan 8.360 nan 0.000 0.492 391 H N 0.859 119.939 119.070 0.017 0.000 2.418 391 H HA 0.124 4.680 4.556 0.000 0.000 0.238 391 H C -1.784 173.567 175.328 0.038 0.000 1.403 391 H CA -1.999 54.070 56.048 0.035 0.000 1.419 391 H CB 0.770 30.456 29.762 -0.126 0.000 1.463 391 H HN 0.070 nan 8.280 nan 0.000 0.515 392 P HA -0.223 nan 4.420 nan 0.000 0.218 392 P C 1.469 178.847 177.300 0.130 0.000 1.146 392 P CA 1.319 64.483 63.100 0.106 0.000 0.820 392 P CB 0.296 32.045 31.700 0.083 0.000 0.778 393 A N 0.130 123.075 122.820 0.208 0.000 1.978 393 A HA -0.134 4.186 4.320 0.000 0.000 0.220 393 A C 2.348 180.035 177.584 0.171 0.000 1.170 393 A CA 1.129 53.304 52.037 0.231 0.000 0.636 393 A CB -1.599 17.651 19.000 0.418 0.000 0.810 393 A HN 0.179 nan 8.150 nan 0.000 0.448 394 L N -0.842 120.441 121.223 0.100 0.000 2.450 394 L HA -0.160 4.180 4.340 0.000 0.000 0.224 394 L C 2.419 179.330 176.870 0.068 0.000 1.149 394 L CA 1.532 56.397 54.840 0.041 0.000 0.816 394 L CB -0.231 41.809 42.059 -0.032 0.000 0.932 394 L HN 0.659 nan 8.230 nan 0.000 0.449 395 R N -2.481 118.058 120.500 0.065 0.000 2.531 395 R HA 0.102 4.442 4.340 0.000 0.000 0.316 395 R C 1.427 177.739 176.300 0.021 0.000 0.955 395 R CA 0.785 56.908 56.100 0.040 0.000 1.120 395 R CB -0.135 30.194 30.300 0.048 0.000 1.361 395 R HN 0.146 nan 8.270 nan 0.000 0.534 396 T N -2.837 111.741 114.554 0.040 0.000 2.999 396 T HA 0.421 4.771 4.350 0.000 0.000 0.247 396 T C 1.015 175.734 174.700 0.032 0.000 1.012 396 T CA 0.244 62.361 62.100 0.029 0.000 1.048 396 T CB 0.269 69.161 68.868 0.040 0.000 1.020 396 T HN 0.251 nan 8.240 nan 0.000 0.478 397 A N 3.348 126.204 122.820 0.061 0.000 2.425 397 A HA 0.606 4.926 4.320 0.000 0.000 0.242 397 A C -2.283 175.323 177.584 0.037 0.000 1.077 397 A CA -1.110 50.967 52.037 0.067 0.000 0.781 397 A CB -0.288 18.783 19.000 0.119 0.000 1.020 397 A HN 0.331 nan 8.150 nan 0.000 0.494 398 P HA 0.239 nan 4.420 nan 0.000 0.277 398 P C -0.890 176.457 177.300 0.079 0.000 1.276 398 P CA -0.028 63.092 63.100 0.035 0.000 0.788 398 P CB 0.261 31.988 31.700 0.046 0.000 1.114 399 Y N 0.468 120.754 120.300 -0.022 0.000 2.387 399 Y HA 0.653 5.203 4.550 0.000 0.000 0.330 399 Y C -0.871 175.085 175.900 0.093 0.000 1.133 399 Y CA -0.557 57.573 58.100 0.050 0.000 1.152 399 Y CB 0.837 39.343 38.460 0.076 0.000 1.215 399 Y HN 0.164 nan 8.280 nan 0.000 0.466 400 L N 7.291 128.135 121.223 -0.631 0.000 2.676 400 L HA 0.360 4.700 4.340 0.000 0.000 0.262 400 L C -0.925 175.694 176.870 -0.418 0.000 0.965 400 L CA -0.604 54.031 54.840 -0.342 0.000 0.920 400 L CB 1.002 42.983 42.059 -0.129 0.000 1.260 400 L HN 0.755 nan 8.230 nan 0.000 0.422 401 R N 3.509 123.837 120.500 -0.286 0.000 2.679 401 R HA 0.221 4.562 4.340 0.000 0.000 0.268 401 R C 0.002 176.241 176.300 -0.102 0.000 1.044 401 R CA 0.113 56.136 56.100 -0.129 0.000 1.105 401 R CB 0.761 31.048 30.300 -0.022 0.000 0.989 401 R HN 0.680 nan 8.270 nan 0.000 0.447 402 I N 2.476 123.014 120.570 -0.052 0.000 4.770 402 I HA 0.131 4.301 4.170 0.000 0.000 0.327 402 I C -0.675 175.444 176.117 0.004 0.000 1.271 402 I CA 0.112 61.376 61.300 -0.060 0.000 1.320 402 I CB -0.090 37.952 38.000 0.069 0.000 1.319 402 I HN 0.536 nan 8.210 nan 0.000 0.462 403 Y N 1.215 121.412 120.300 -0.171 0.000 2.521 403 Y HA 0.673 5.223 4.550 0.000 0.000 0.328 403 Y C -1.676 174.125 175.900 -0.164 0.000 1.151 403 Y CA -1.307 56.666 58.100 -0.211 0.000 1.054 403 Y CB 1.626 39.773 38.460 -0.521 0.000 1.338 403 Y HN -0.017 nan 8.280 nan 0.000 0.453 404 A N 5.417 127.724 122.820 -0.855 0.000 2.509 404 A HA 0.633 4.953 4.320 0.000 0.000 0.282 404 A C -2.013 175.161 177.584 -0.684 0.000 1.054 404 A CA -0.473 51.194 52.037 -0.617 0.000 0.820 404 A CB 1.564 20.352 19.000 -0.354 0.000 1.333 404 A HN 0.521 nan 8.150 nan 0.000 0.409 405 Q N 2.829 122.292 119.800 -0.562 0.000 2.331 405 Q HA 0.421 4.761 4.340 0.000 0.000 0.249 405 Q C -0.359 175.517 176.000 -0.206 0.000 0.913 405 Q CA 0.535 56.151 55.803 -0.311 0.000 0.874 405 Q CB 1.596 30.205 28.738 -0.216 0.000 1.384 405 Q HN 1.179 nan 8.270 nan 0.000 0.427 406 D N 2.776 123.082 120.400 -0.156 0.000 3.639 406 D HA -0.247 4.393 4.640 0.000 0.000 0.162 406 D C 0.219 176.455 176.300 -0.107 0.000 1.054 406 D CA 2.444 56.342 54.000 -0.170 0.000 1.085 406 D CB -1.279 39.329 40.800 -0.320 0.000 0.547 406 D HN 0.756 nan 8.370 nan 0.000 0.595 407 G N -0.916 107.740 108.800 -0.241 0.000 3.591 407 G HA2 0.302 4.263 3.960 0.000 0.000 0.282 407 G HA3 0.302 4.263 3.960 0.000 0.000 0.282 407 G C -0.450 174.492 174.900 0.070 0.000 1.238 407 G CA 0.073 45.146 45.100 -0.045 0.000 0.993 407 G HN 0.528 nan 8.290 nan 0.000 0.542 408 H N -0.316 118.731 119.070 -0.038 0.000 2.595 408 H HA 0.507 5.064 4.556 0.000 0.000 0.313 408 H C -1.181 174.037 175.328 -0.183 0.000 1.023 408 H CA -0.886 54.984 56.048 -0.295 0.000 1.218 408 H CB 2.361 31.752 29.762 -0.618 0.000 1.403 408 H HN 0.173 nan 8.280 nan 0.000 0.477 409 L N 3.000 124.276 121.223 0.089 0.000 2.401 409 L HA 0.805 5.145 4.340 0.000 0.000 0.266 409 L C -1.324 175.642 176.870 0.160 0.000 0.991 409 L CA -0.545 54.355 54.840 0.100 0.000 0.818 409 L CB 1.774 43.939 42.059 0.177 0.000 1.321 409 L HN 0.693 nan 8.230 nan 0.000 0.413 410 A N 4.038 126.938 122.820 0.132 0.000 2.398 410 A HA 0.851 5.172 4.320 0.000 0.000 0.301 410 A C -1.421 176.284 177.584 0.202 0.000 1.041 410 A CA -0.366 51.740 52.037 0.115 0.000 0.711 410 A CB 0.887 19.834 19.000 -0.089 0.000 1.240 410 A HN 0.835 nan 8.150 nan 0.000 0.420 411 F N -0.276 119.695 119.950 0.035 0.000 2.664 411 F HA 0.918 5.445 4.527 0.000 0.000 0.317 411 F C -0.216 175.534 175.800 -0.084 0.000 1.108 411 F CA -1.128 56.788 58.000 -0.139 0.000 0.957 411 F CB 1.447 40.245 39.000 -0.336 0.000 1.365 411 F HN 0.822 nan 8.300 nan 0.000 0.475 412 A N 1.575 124.375 122.820 -0.033 0.000 2.342 412 A HA 0.853 5.173 4.320 0.000 0.000 0.323 412 A C -0.863 176.754 177.584 0.055 0.000 1.125 412 A CA -0.961 51.052 52.037 -0.040 0.000 0.785 412 A CB 1.179 20.128 19.000 -0.084 0.000 1.221 412 A HN 0.667 nan 8.150 nan 0.000 0.463 413 R N 2.008 122.580 120.500 0.121 0.000 2.396 413 R HA 0.488 4.828 4.340 0.000 0.000 0.292 413 R C 0.922 177.345 176.300 0.206 0.000 1.240 413 R CA 0.465 56.676 56.100 0.186 0.000 1.270 413 R CB 0.220 30.662 30.300 0.237 0.000 1.108 413 R HN 1.667 nan 8.270 nan 0.000 0.573 414 G N 4.428 113.289 108.800 0.101 0.000 2.561 414 G HA2 -0.309 3.651 3.960 0.000 0.000 0.289 414 G HA3 -0.309 3.651 3.960 0.000 0.000 0.289 414 G C -1.455 173.428 174.900 -0.028 0.000 1.169 414 G CA -0.027 45.107 45.100 0.058 0.000 0.980 414 G HN 0.423 nan 8.290 nan 0.000 0.550 415 P HA 0.182 nan 4.420 nan 0.000 0.247 415 P C -0.485 176.597 177.300 -0.363 0.000 1.225 415 P CA 0.758 63.695 63.100 -0.272 0.000 0.768 415 P CB -0.148 31.335 31.700 -0.361 0.000 1.020 416 Y N 0.015 120.346 120.300 0.051 0.000 2.446 416 Y HA 0.518 5.068 4.550 0.000 0.000 0.338 416 Y C 0.272 176.175 175.900 0.004 0.000 1.055 416 Y CA -1.344 56.795 58.100 0.065 0.000 1.101 416 Y CB 1.560 40.032 38.460 0.021 0.000 1.221 416 Y HN -0.278 nan 8.280 nan 0.000 0.460 417 L N 2.793 124.166 121.223 0.250 0.000 2.343 417 L HA 0.868 5.208 4.340 0.000 0.000 0.278 417 L C -0.774 176.176 176.870 0.132 0.000 0.996 417 L CA -0.568 54.349 54.840 0.128 0.000 0.831 417 L CB 0.918 43.094 42.059 0.196 0.000 1.232 417 L HN 0.706 nan 8.230 nan 0.000 0.413 418 A N 4.868 127.559 122.820 -0.214 0.000 2.301 418 A HA 0.787 5.108 4.320 0.000 0.000 0.312 418 A C -1.054 176.451 177.584 -0.132 0.000 1.182 418 A CA -0.504 51.359 52.037 -0.291 0.000 0.826 418 A CB 1.168 19.684 19.000 -0.807 0.000 1.134 418 A HN 0.513 nan 8.150 nan 0.000 0.501 419 V N 3.354 123.356 119.914 0.147 0.000 2.407 419 V HA 0.395 4.515 4.120 0.000 0.000 0.291 419 V C -0.493 175.747 176.094 0.244 0.000 1.018 419 V CA -0.504 61.965 62.300 0.282 0.000 0.842 419 V CB 1.446 33.602 31.823 0.556 0.000 0.996 419 V HN 0.624 nan 8.190 nan 0.000 0.426 420 V N 4.003 124.063 119.914 0.243 0.000 2.357 420 V HA 0.422 4.542 4.120 0.000 0.000 0.284 420 V C -0.037 176.156 176.094 0.166 0.000 1.018 420 V CA -0.599 61.859 62.300 0.264 0.000 0.841 420 V CB 1.686 33.771 31.823 0.437 0.000 0.991 420 V HN 0.868 nan 8.190 nan 0.000 0.437 421 N N 4.147 122.915 118.700 0.112 0.000 2.589 421 N HA 0.448 5.188 4.740 0.000 0.000 0.232 421 N C 0.005 175.490 175.510 -0.042 0.000 1.015 421 N CA -0.293 52.770 53.050 0.023 0.000 0.931 421 N CB 1.380 39.887 38.487 0.033 0.000 1.150 421 N HN 0.784 nan 8.380 nan 0.000 0.512 422 A N 2.650 125.409 122.820 -0.101 0.000 3.245 422 A HA 0.512 4.832 4.320 0.000 0.000 0.282 422 A C -0.402 176.911 177.584 -0.451 0.000 1.417 422 A CA -0.370 51.507 52.037 -0.267 0.000 1.149 422 A CB -0.738 17.838 19.000 -0.707 0.000 1.155 422 A HN 0.633 nan 8.150 nan 0.000 0.602 423 S N -1.131 114.043 115.700 -0.877 0.000 2.552 423 S HA 0.578 5.048 4.470 0.000 0.000 0.272 423 S C -2.996 170.973 174.600 -1.052 0.000 1.150 423 S CA -0.955 56.772 58.200 -0.787 0.000 0.849 423 S CB 1.437 64.451 63.200 -0.311 0.000 1.113 423 S HN -0.033 nan 8.310 nan 0.000 0.458 424 P HA 0.069 nan 4.420 nan 0.000 0.230 424 P C -0.289 176.813 177.300 -0.331 0.000 1.158 424 P CA 0.953 63.772 63.100 -0.469 0.000 0.769 424 P CB -0.151 31.351 31.700 -0.329 0.000 0.807 425 H N -0.986 118.036 119.070 -0.081 0.000 2.458 425 H HA 0.342 4.898 4.556 0.000 0.000 0.330 425 H C -2.130 173.244 175.328 0.077 0.000 1.111 425 H CA -3.142 52.923 56.048 0.028 0.000 1.245 425 H CB -0.052 29.758 29.762 0.079 0.000 1.456 425 H HN -0.074 nan 8.280 nan 0.000 0.488 426 P HA -0.056 nan 4.420 nan 0.000 0.270 426 P C -0.601 176.829 177.300 0.217 0.000 1.221 426 P CA 0.243 63.437 63.100 0.157 0.000 0.788 426 P CB 0.433 32.200 31.700 0.111 0.000 0.904 427 F N 1.059 120.981 119.950 -0.047 0.000 2.536 427 F HA 0.409 4.937 4.527 0.000 0.000 0.322 427 F C -0.077 175.695 175.800 -0.047 0.000 1.144 427 F CA -1.140 56.757 58.000 -0.172 0.000 0.924 427 F CB 1.320 40.061 39.000 -0.432 0.000 1.181 427 F HN 0.044 nan 8.300 nan 0.000 0.438 428 R N 5.158 125.295 120.500 -0.604 0.000 2.248 428 R HA 0.194 4.534 4.340 0.000 0.000 0.337 428 R C -0.377 175.394 176.300 -0.881 0.000 1.085 428 R CA -0.181 55.603 56.100 -0.527 0.000 0.934 428 R CB 0.399 30.516 30.300 -0.304 0.000 1.034 428 R HN 0.722 nan 8.270 nan 0.000 0.465 429 Q N 3.552 123.013 119.800 -0.566 0.000 2.613 429 Q HA -0.009 4.331 4.340 0.000 0.000 0.228 429 Q C -0.443 175.226 176.000 -0.553 0.000 1.318 429 Q CA 0.210 55.752 55.803 -0.436 0.000 0.907 429 Q CB 0.291 28.969 28.738 -0.100 0.000 1.593 429 Q HN 0.635 nan 8.270 nan 0.000 0.559 430 D N -0.758 119.291 120.400 -0.585 0.000 2.530 430 D HA 0.015 4.655 4.640 0.000 0.000 0.253 430 D C -0.100 175.916 176.300 -0.473 0.000 1.338 430 D CA -0.504 53.194 54.000 -0.503 0.000 0.806 430 D CB -0.195 40.418 40.800 -0.311 0.000 1.160 430 D HN 0.269 nan 8.370 nan 0.000 0.514 431 F N 0.145 119.889 119.950 -0.343 0.000 2.480 431 F HA 0.504 5.031 4.527 0.000 0.000 0.319 431 F C -2.044 173.662 175.800 -0.158 0.000 1.230 431 F CA -2.415 55.384 58.000 -0.336 0.000 1.285 431 F CB -0.767 37.783 39.000 -0.749 0.000 1.208 431 F HN -0.266 nan 8.300 nan 0.000 0.579 432 P HA 0.104 nan 4.420 nan 0.000 0.275 432 P C 0.002 177.476 177.300 0.291 0.000 1.228 432 P CA -0.140 63.027 63.100 0.113 0.000 0.786 432 P CB 1.341 33.101 31.700 0.100 0.000 0.927 433 L N 1.372 122.673 121.223 0.130 0.000 2.607 433 L HA 0.091 4.431 4.340 0.000 0.000 0.228 433 L C 0.407 177.408 176.870 0.217 0.000 1.123 433 L CA -0.059 54.877 54.840 0.159 0.000 0.890 433 L CB -1.210 40.859 42.059 0.017 0.000 1.103 433 L HN 0.499 nan 8.230 nan 0.000 0.468 434 H N 0.482 119.574 119.070 0.036 0.000 2.684 434 H HA -0.207 4.349 4.556 0.000 0.000 0.309 434 H C 1.412 176.734 175.328 -0.009 0.000 1.102 434 H CA 0.779 56.842 56.048 0.025 0.000 1.147 434 H CB -1.555 28.235 29.762 0.046 0.000 1.391 434 H HN 0.554 nan 8.280 nan 0.000 0.398 435 G N -2.214 106.611 108.800 0.042 0.000 2.141 435 G HA2 -0.318 3.642 3.960 0.000 0.000 0.231 435 G HA3 -0.318 3.642 3.960 0.000 0.000 0.231 435 G C 1.156 176.028 174.900 -0.046 0.000 0.984 435 G CA 0.303 45.406 45.100 0.006 0.000 0.660 435 G HN 0.473 nan 8.290 nan 0.000 0.525 436 V N -0.670 119.167 119.914 -0.128 0.000 2.427 436 V HA 0.194 4.314 4.120 0.000 0.000 0.248 436 V C 1.177 177.010 176.094 -0.436 0.000 1.051 436 V CA 1.709 63.796 62.300 -0.355 0.000 1.048 436 V CB -0.452 31.021 31.823 -0.583 0.000 0.666 436 V HN 0.314 nan 8.190 nan 0.000 0.456 437 F N 0.248 120.189 119.950 -0.015 0.000 2.546 437 F HA 0.602 5.129 4.527 0.000 0.000 0.320 437 F C -2.216 173.564 175.800 -0.034 0.000 1.076 437 F CA -3.414 54.567 58.000 -0.032 0.000 0.928 437 F CB 0.825 39.794 39.000 -0.051 0.000 1.189 437 F HN -0.113 nan 8.300 nan 0.000 0.465 438 P HA 0.254 nan 4.420 nan 0.000 0.286 438 P C -0.486 176.842 177.300 0.047 0.000 1.269 438 P CA -0.556 62.594 63.100 0.082 0.000 0.787 438 P CB 0.874 32.611 31.700 0.061 0.000 0.920 439 R N 1.733 122.246 120.500 0.022 0.000 2.619 439 R HA 0.143 4.483 4.340 0.000 0.000 0.268 439 R C 1.450 177.740 176.300 -0.017 0.000 0.990 439 R CA 1.211 57.308 56.100 -0.005 0.000 1.092 439 R CB -0.856 29.437 30.300 -0.011 0.000 0.935 439 R HN 0.936 nan 8.270 nan 0.000 0.415 440 G N 1.011 109.791 108.800 -0.034 0.000 2.205 440 G HA2 -0.252 3.708 3.960 0.000 0.000 0.261 440 G HA3 -0.252 3.708 3.960 0.000 0.000 0.261 440 G C 0.475 175.346 174.900 -0.049 0.000 0.980 440 G CA 0.092 45.168 45.100 -0.039 0.000 0.632 440 G HN 0.905 nan 8.290 nan 0.000 0.533 441 G N -0.067 108.697 108.800 -0.060 0.000 2.338 441 G HA2 0.769 4.730 3.960 0.000 0.000 0.298 441 G HA3 0.769 4.730 3.960 0.000 0.000 0.298 441 G C 0.146 174.964 174.900 -0.138 0.000 1.140 441 G CA 0.820 45.869 45.100 -0.085 0.000 0.860 441 G HN 1.301 nan 8.290 nan 0.000 0.470 442 R N 0.192 120.621 120.500 -0.118 0.000 2.491 442 R HA 0.686 5.026 4.340 0.000 0.000 0.283 442 R C 0.402 176.591 176.300 -0.184 0.000 1.072 442 R CA 0.276 56.303 56.100 -0.123 0.000 1.048 442 R CB 0.285 30.543 30.300 -0.070 0.000 0.983 442 R HN 1.574 nan 8.270 nan 0.000 0.450 443 A N 1.073 123.778 122.820 -0.191 0.000 2.320 443 A HA 0.789 5.109 4.320 0.000 0.000 0.334 443 A C -0.549 177.099 177.584 0.106 0.000 1.147 443 A CA -0.320 51.597 52.037 -0.199 0.000 0.820 443 A CB 1.846 20.626 19.000 -0.367 0.000 1.218 443 A HN 1.844 nan 8.150 nan 0.000 0.482 444 V N 1.165 121.199 119.914 0.201 0.000 2.808 444 V HA 0.521 4.641 4.120 0.000 0.000 0.308 444 V C -1.743 174.323 176.094 -0.046 0.000 1.099 444 V CA -0.628 61.758 62.300 0.143 0.000 0.920 444 V CB 2.035 33.873 31.823 0.025 0.000 1.014 444 V HN 0.974 nan 8.190 nan 0.000 0.425 445 D N 5.009 125.108 120.400 -0.502 0.000 2.411 445 D HA 0.303 4.944 4.640 0.000 0.000 0.225 445 D C 1.200 177.257 176.300 -0.405 0.000 1.156 445 D CA -0.058 53.412 54.000 -0.883 0.000 0.874 445 D CB 1.074 41.008 40.800 -1.444 0.000 1.034 445 D HN 0.563 nan 8.370 nan 0.000 0.502 446 L N 3.132 124.196 121.223 -0.265 0.000 2.261 446 L HA -0.180 4.160 4.340 0.000 0.000 0.216 446 L C 2.058 178.842 176.870 -0.144 0.000 1.114 446 L CA 0.759 55.508 54.840 -0.150 0.000 0.777 446 L CB -0.249 41.732 42.059 -0.129 0.000 0.910 446 L HN 0.520 nan 8.230 nan 0.000 0.440 447 L N -0.976 120.130 121.223 -0.195 0.000 2.071 447 L HA -0.099 4.241 4.340 0.000 0.000 0.201 447 L C 2.743 179.538 176.870 -0.126 0.000 1.076 447 L CA 1.496 56.251 54.840 -0.141 0.000 0.755 447 L CB -0.386 41.593 42.059 -0.134 0.000 0.915 447 L HN 0.330 nan 8.230 nan 0.000 0.445 448 S N -1.229 114.369 115.700 -0.171 0.000 2.478 448 S HA 0.129 4.599 4.470 0.000 0.000 0.222 448 S C 1.566 176.101 174.600 -0.109 0.000 1.008 448 S CA 0.538 58.665 58.200 -0.121 0.000 0.928 448 S CB 0.687 63.815 63.200 -0.120 0.000 0.781 448 S HN 0.548 nan 8.310 nan 0.000 0.518 449 G N 0.449 109.160 108.800 -0.148 0.000 2.175 449 G HA2 -0.246 3.714 3.960 0.000 0.000 0.244 449 G HA3 -0.246 3.714 3.960 0.000 0.000 0.244 449 G C -0.091 174.756 174.900 -0.089 0.000 0.982 449 G CA 0.179 45.219 45.100 -0.100 0.000 0.641 449 G HN 0.607 nan 8.290 nan 0.000 0.527 450 E N -0.138 119.987 120.200 -0.124 0.000 2.436 450 E HA 0.477 4.828 4.350 0.000 0.000 0.262 450 E C 0.398 177.016 176.600 0.031 0.000 1.063 450 E CA 0.499 56.878 56.400 -0.035 0.000 0.944 450 E CB 0.932 30.630 29.700 -0.004 0.000 0.950 450 E HN 0.556 nan 8.360 nan 0.000 0.444 451 V N 2.147 122.133 119.914 0.119 0.000 3.049 451 V HA 0.656 4.777 4.120 0.000 0.000 0.309 451 V C -0.712 175.460 176.094 0.130 0.000 1.148 451 V CA -0.555 61.828 62.300 0.139 0.000 0.990 451 V CB 1.499 33.353 31.823 0.051 0.000 1.039 451 V HN 1.058 nan 8.190 nan 0.000 0.430 452 c N 0.105 118.756 118.600 0.084 0.000 3.045 452 c HA 0.650 5.220 4.570 0.000 0.000 0.338 452 c C -0.624 173.419 174.090 -0.080 0.000 1.267 452 c CA -0.591 55.733 56.329 -0.009 0.000 1.177 452 c CB 0.976 43.467 42.510 -0.032 0.000 1.380 452 c HN 0.846 nan 8.230 nan 0.000 0.469 453 T N 3.202 117.696 114.554 -0.099 0.000 2.756 453 T HA 0.624 4.974 4.350 0.000 0.000 0.290 453 T C -2.693 171.920 174.700 -0.145 0.000 0.985 453 T CA -0.393 61.635 62.100 -0.120 0.000 0.955 453 T CB 1.185 70.002 68.868 -0.086 0.000 0.930 453 T HN 0.707 nan 8.240 nan 0.000 0.451 454 P HA 0.191 nan 4.420 nan 0.000 0.268 454 P C -0.567 176.661 177.300 -0.121 0.000 1.204 454 P CA -0.283 62.714 63.100 -0.172 0.000 0.768 454 P CB 0.500 32.109 31.700 -0.152 0.000 0.842 455 Q N 1.604 121.329 119.800 -0.124 0.000 2.285 455 Q HA 0.458 4.798 4.340 0.000 0.000 0.269 455 Q C 0.627 176.571 176.000 -0.094 0.000 1.030 455 Q CA -0.299 55.447 55.803 -0.094 0.000 0.788 455 Q CB 2.127 30.813 28.738 -0.087 0.000 1.266 455 Q HN 0.766 nan 8.270 nan 0.000 0.438 456 G N 1.030 109.786 108.800 -0.073 0.000 2.160 456 G HA2 -0.189 3.772 3.960 0.000 0.000 0.244 456 G HA3 -0.189 3.772 3.960 0.000 0.000 0.244 456 G C 0.735 175.590 174.900 -0.075 0.000 1.022 456 G CA 0.519 45.578 45.100 -0.069 0.000 0.741 456 G HN 1.401 nan 8.290 nan 0.000 0.508 457 G N -1.522 107.235 108.800 -0.071 0.000 2.187 457 G HA2 -0.280 3.680 3.960 0.000 0.000 0.261 457 G HA3 -0.280 3.680 3.960 0.000 0.000 0.261 457 G C 0.379 175.222 174.900 -0.095 0.000 1.000 457 G CA 1.370 46.429 45.100 -0.068 0.000 0.718 457 G HN 1.062 nan 8.290 nan 0.000 0.519 458 R N -1.319 119.099 120.500 -0.138 0.000 2.832 458 R HA 0.699 5.039 4.340 0.000 0.000 0.271 458 R C 0.113 176.223 176.300 -0.316 0.000 0.996 458 R CA -1.156 54.810 56.100 -0.224 0.000 0.977 458 R CB 1.377 31.554 30.300 -0.206 0.000 1.168 458 R HN 0.135 nan 8.270 nan 0.000 0.482 459 L N 1.160 122.067 121.223 -0.527 0.000 2.472 459 L HA 0.114 4.454 4.340 0.000 0.000 0.260 459 L C 0.418 176.984 176.870 -0.507 0.000 1.209 459 L CA 0.211 54.672 54.840 -0.632 0.000 0.817 459 L CB 0.930 42.385 42.059 -1.007 0.000 1.106 459 L HN 0.982 nan 8.230 nan 0.000 0.479 460 c N -0.059 118.226 118.600 -0.525 0.000 3.365 460 c HA 0.650 5.221 4.570 0.000 0.000 0.266 460 c C 0.740 174.641 174.090 -0.315 0.000 1.631 460 c CA -0.389 55.725 56.329 -0.357 0.000 1.789 460 c CB -1.052 41.299 42.510 -0.265 0.000 3.088 460 c HN 0.825 nan 8.230 nan 0.000 0.547 461 G N 2.527 111.063 108.800 -0.439 0.000 2.539 461 G HA2 0.554 4.514 3.960 0.000 0.000 0.258 461 G HA3 0.554 4.514 3.960 0.000 0.000 0.258 461 G C -1.740 173.153 174.900 -0.012 0.000 1.202 461 G CA -0.548 44.486 45.100 -0.110 0.000 0.851 461 G HN 0.343 nan 8.290 nan 0.000 0.556 462 P HA 0.150 nan 4.420 nan 0.000 0.306 462 P C 0.436 177.755 177.300 0.032 0.000 1.301 462 P CA -0.174 62.951 63.100 0.041 0.000 0.744 462 P CB 0.219 31.959 31.700 0.067 0.000 1.400 463 V N -2.349 117.579 119.914 0.023 0.000 2.614 463 V HA 0.256 4.376 4.120 0.000 0.000 0.291 463 V C 0.234 176.379 176.094 0.085 0.000 1.049 463 V CA -0.505 61.809 62.300 0.023 0.000 1.038 463 V CB -0.183 31.652 31.823 0.021 0.000 0.980 463 V HN 0.265 nan 8.190 nan 0.000 0.481 464 L N 7.979 129.281 121.223 0.131 0.000 2.261 464 L HA 0.441 4.781 4.340 0.000 0.000 0.289 464 L C -1.777 175.175 176.870 0.136 0.000 1.059 464 L CA -1.889 53.058 54.840 0.178 0.000 0.816 464 L CB 1.803 44.041 42.059 0.298 0.000 1.191 464 L HN 0.623 nan 8.230 nan 0.000 0.431 465 P HA 0.044 nan 4.420 nan 0.000 0.270 465 P C -2.596 174.742 177.300 0.063 0.000 1.221 465 P CA -1.163 61.986 63.100 0.081 0.000 0.788 465 P CB -0.490 31.255 31.700 0.074 0.000 0.904 466 P HA -0.034 nan 4.420 nan 0.000 0.261 466 P C -0.318 176.991 177.300 0.015 0.000 1.173 466 P CA 0.698 63.749 63.100 -0.081 0.000 0.760 466 P CB -0.552 31.134 31.700 -0.023 0.000 0.783 467 F N 0.011 119.977 119.950 0.026 0.000 2.943 467 F HA -0.238 4.289 4.527 0.000 0.000 0.258 467 F C 0.637 176.453 175.800 0.027 0.000 0.995 467 F CA 0.804 58.804 58.000 0.001 0.000 0.896 467 F CB -2.412 36.570 39.000 -0.029 0.000 0.821 467 F HN 0.146 nan 8.300 nan 0.000 0.828 468 S N -0.299 115.490 115.700 0.148 0.000 2.726 468 S HA 0.913 5.383 4.470 0.000 0.000 0.308 468 S C -0.654 174.026 174.600 0.133 0.000 1.115 468 S CA -0.833 57.445 58.200 0.130 0.000 0.965 468 S CB 2.557 65.822 63.200 0.108 0.000 1.145 468 S HN 0.270 nan 8.310 nan 0.000 0.532 469 L N 0.859 122.148 121.223 0.110 0.000 2.393 469 L HA 0.918 5.258 4.340 0.000 0.000 0.260 469 L C -1.284 175.624 176.870 0.064 0.000 1.002 469 L CA -0.290 54.618 54.840 0.113 0.000 0.818 469 L CB 1.655 43.777 42.059 0.106 0.000 1.369 469 L HN 0.786 nan 8.230 nan 0.000 0.412 470 A N 3.528 126.390 122.820 0.070 0.000 2.515 470 A HA 0.800 5.120 4.320 0.000 0.000 0.298 470 A C -2.200 175.338 177.584 -0.077 0.000 1.059 470 A CA -0.421 51.580 52.037 -0.059 0.000 0.698 470 A CB 1.654 20.664 19.000 0.018 0.000 1.289 470 A HN 0.730 nan 8.150 nan 0.000 0.404 471 L N 1.789 122.861 121.223 -0.252 0.000 2.415 471 L HA 0.727 5.067 4.340 0.000 0.000 0.268 471 L C -1.576 175.201 176.870 -0.155 0.000 0.984 471 L CA -0.197 54.575 54.840 -0.113 0.000 0.853 471 L CB 0.454 42.449 42.059 -0.108 0.000 1.215 471 L HN 0.760 nan 8.230 nan 0.000 0.419 472 W N 5.207 126.596 121.300 0.149 0.000 2.390 472 W HA 0.823 5.483 4.660 0.000 0.000 0.362 472 W C 0.127 176.820 176.519 0.289 0.000 1.206 472 W CA -0.371 57.080 57.345 0.176 0.000 1.355 472 W CB 0.994 30.580 29.460 0.211 0.000 1.278 472 W HN 0.555 nan 8.180 nan 0.000 0.653 473 R N -0.606 120.144 120.500 0.417 0.000 2.741 473 R HA 0.276 4.616 4.340 0.000 0.000 0.276 473 R C -1.161 175.092 176.300 -0.078 0.000 1.028 473 R CA -1.081 55.186 56.100 0.278 0.000 0.865 473 R CB 0.890 31.260 30.300 0.117 0.000 1.268 473 R HN 0.198 nan 8.270 nan 0.000 0.475 474 E N 0.878 121.059 120.200 -0.033 0.000 2.265 474 E HA 0.271 4.621 4.350 0.000 0.000 0.272 474 E C -0.282 176.270 176.600 -0.079 0.000 1.067 474 E CA 0.378 56.691 56.400 -0.144 0.000 0.900 474 E CB 1.369 31.073 29.700 0.008 0.000 1.017 474 E HN 0.580 nan 8.360 nan 0.000 0.431 475 A N 0.000 122.763 122.820 -0.095 0.000 2.254 475 A HA 0.000 4.320 4.320 0.000 0.000 0.244 475 A CA 0.000 52.012 52.037 -0.041 0.000 0.836 475 A CB 0.000 18.978 19.000 -0.036 0.000 0.831 475 A HN 0.000 nan 8.150 nan 0.000 0.486