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 1nve_1_A DATA FIRST_RESID 3 DATA SEQUENCE NPTKISILGR ESIIADFGLW RNYVAKDLIS DCSSTTYVLV TDTNIGSIYT DATA SEQUENCE PSFEEAFRKR AAEITPSPRL LIYNRPPGEV SKSRQTKADI EDWMLSQNPP DATA SEQUENCE CGRDTVVIAL GGGVIGDLTG FVASTYMRGV RYVQVPTTLL AMVDSSIGGK DATA SEQUENCE TAIDTPLGKN LIGAIWQPTK IYIDLEFLET LPVREFINGM AEVIKTAAIS DATA SEQUENCE SEEEFTALEE NAETILKAVR REVTPGEHRF EGTEEILKAR ILASARHKAY DATA SEQUENCE VVSADXXXGG LRNLLNWGHS IGHAIEAILT PQILHGECVA IGMVKEAELA DATA SEQUENCE RHLGILKGVA VSRIVKCLAA YGLPTSLKDA RIRKLTAGKH CSVDQLMFNM DATA SEQUENCE AXXXXXXXXX XKIVLLSAIG TPYETRASVV ANEDIRVVLA P 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 3 N HA 0.000 nan 4.740 nan 0.000 0.220 3 N C 0.000 175.504 175.510 -0.010 0.000 1.280 3 N CA 0.000 53.058 53.050 0.013 0.000 0.885 3 N CB 0.000 38.497 38.487 0.017 0.000 1.341 4 P HA 0.157 nan 4.420 nan 0.000 0.273 4 P C -0.287 176.979 177.300 -0.057 0.000 1.428 4 P CA 0.175 63.215 63.100 -0.101 0.000 0.995 4 P CB -0.139 31.467 31.700 -0.156 0.000 1.286 5 T N 4.195 118.719 114.554 -0.050 0.000 2.907 5 T HA 0.228 4.578 4.350 -0.000 0.000 0.298 5 T C 0.349 175.031 174.700 -0.031 0.000 1.017 5 T CA -0.119 61.964 62.100 -0.029 0.000 1.118 5 T CB 0.850 69.704 68.868 -0.024 0.000 0.948 5 T HN 0.277 nan 8.240 nan 0.000 0.531 6 K N 2.313 122.704 120.400 -0.015 0.000 2.371 6 K HA 0.637 4.957 4.320 -0.000 0.000 0.251 6 K C -0.951 175.641 176.600 -0.013 0.000 0.934 6 K CA -0.926 55.354 56.287 -0.012 0.000 0.798 6 K CB 1.835 34.337 32.500 0.004 0.000 1.204 6 K HN 0.305 nan 8.250 nan 0.000 0.427 7 I N 0.897 121.454 120.570 -0.021 0.000 3.042 7 I HA 0.335 4.505 4.170 -0.000 0.000 0.310 7 I C -0.108 175.994 176.117 -0.025 0.000 1.117 7 I CA -0.963 60.326 61.300 -0.018 0.000 1.003 7 I CB 1.920 39.909 38.000 -0.018 0.000 1.228 7 I HN 0.637 nan 8.210 nan 0.000 0.443 8 S N 3.776 119.465 115.700 -0.017 0.000 2.473 8 S HA 0.815 5.285 4.470 -0.000 0.000 0.307 8 S C -0.587 173.994 174.600 -0.033 0.000 1.094 8 S CA -0.686 57.498 58.200 -0.026 0.000 1.070 8 S CB 1.745 64.935 63.200 -0.017 0.000 1.019 8 S HN 0.404 nan 8.310 nan 0.000 0.480 9 I N 2.903 123.441 120.570 -0.053 0.000 2.465 9 I HA 0.317 4.487 4.170 -0.000 0.000 0.291 9 I C -0.456 175.618 176.117 -0.072 0.000 1.014 9 I CA -1.137 60.125 61.300 -0.063 0.000 1.093 9 I CB 1.596 39.552 38.000 -0.074 0.000 1.267 9 I HN 0.490 nan 8.210 nan 0.000 0.431 10 L N 6.315 127.491 121.223 -0.077 0.000 3.632 10 L HA -0.266 4.074 4.340 -0.000 0.000 0.510 10 L C 1.143 177.972 176.870 -0.067 0.000 1.299 10 L CA 1.390 56.183 54.840 -0.078 0.000 0.829 10 L CB -2.257 39.754 42.059 -0.081 0.000 1.559 10 L HN 1.222 nan 8.230 nan 0.000 0.857 11 G N -0.258 108.505 108.800 -0.061 0.000 3.079 11 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.214 11 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.214 11 G C 0.428 175.306 174.900 -0.036 0.000 1.335 11 G CA 0.538 45.610 45.100 -0.047 0.000 0.822 11 G HN 0.642 nan 8.290 nan 0.000 0.545 12 R N 0.779 121.255 120.500 -0.040 0.000 2.781 12 R HA 0.503 4.843 4.340 -0.000 0.000 0.269 12 R C -0.654 175.624 176.300 -0.038 0.000 1.025 12 R CA -0.536 55.545 56.100 -0.032 0.000 0.914 12 R CB 0.891 31.175 30.300 -0.026 0.000 1.236 12 R HN 0.345 nan 8.270 nan 0.000 0.465 13 E N 0.369 120.552 120.200 -0.028 0.000 2.953 13 E HA -0.205 4.145 4.350 -0.000 0.000 0.283 13 E C -0.209 176.358 176.600 -0.055 0.000 0.931 13 E CA 1.460 57.841 56.400 -0.032 0.000 0.979 13 E CB 0.402 30.093 29.700 -0.015 0.000 0.976 13 E HN 0.569 nan 8.360 nan 0.000 0.486 14 S N 2.000 117.656 115.700 -0.074 0.000 2.067 14 S HA 0.067 4.537 4.470 -0.000 0.000 0.249 14 S C -0.201 174.306 174.600 -0.155 0.000 0.916 14 S CA -0.420 57.708 58.200 -0.119 0.000 1.458 14 S CB 0.364 63.488 63.200 -0.126 0.000 1.037 14 S HN 0.397 nan 8.310 nan 0.000 0.483 15 I N 4.107 124.612 120.570 -0.109 0.000 2.331 15 I HA 0.452 4.622 4.170 -0.000 0.000 0.292 15 I C -0.868 175.204 176.117 -0.075 0.000 0.998 15 I CA -0.574 60.663 61.300 -0.105 0.000 1.267 15 I CB 1.421 39.379 38.000 -0.070 0.000 1.386 15 I HN 0.236 nan 8.210 nan 0.000 0.476 16 I N 6.007 126.534 120.570 -0.071 0.000 2.439 16 I HA 0.533 4.703 4.170 -0.000 0.000 0.285 16 I C 0.011 176.116 176.117 -0.020 0.000 1.021 16 I CA -0.461 60.824 61.300 -0.024 0.000 1.091 16 I CB 1.458 39.495 38.000 0.063 0.000 1.242 16 I HN 0.556 nan 8.210 nan 0.000 0.439 17 A N 4.807 127.593 122.820 -0.057 0.000 2.355 17 A HA 0.873 5.193 4.320 -0.000 0.000 0.317 17 A C -0.977 176.543 177.584 -0.107 0.000 1.094 17 A CA -0.246 51.746 52.037 -0.075 0.000 0.764 17 A CB 2.044 20.999 19.000 -0.076 0.000 1.230 17 A HN 0.676 nan 8.150 nan 0.000 0.448 18 D N 0.078 120.390 120.400 -0.148 0.000 2.926 18 D HA 0.279 4.919 4.640 -0.000 0.000 0.282 18 D C -1.736 174.443 176.300 -0.203 0.000 1.201 18 D CA -0.443 53.478 54.000 -0.132 0.000 0.735 18 D CB 0.341 41.089 40.800 -0.087 0.000 1.257 18 D HN 0.243 nan 8.370 nan 0.000 0.428 19 F N 1.331 121.239 119.950 -0.070 0.000 2.445 19 F HA 0.484 5.011 4.527 0.000 0.000 0.359 19 F C 1.787 177.539 175.800 -0.081 0.000 1.101 19 F CA 1.449 59.399 58.000 -0.083 0.000 1.177 19 F CB 1.369 40.310 39.000 -0.098 0.000 1.110 19 F HN 0.603 nan 8.300 nan 0.000 0.522 20 G N 2.944 111.768 108.800 0.039 0.000 2.176 20 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.232 20 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.232 20 G C 1.076 176.000 174.900 0.039 0.000 0.986 20 G CA 0.116 45.243 45.100 0.044 0.000 0.643 20 G HN 0.650 nan 8.290 nan 0.000 0.522 21 L N -0.660 120.567 121.223 0.007 0.000 2.043 21 L HA -0.101 4.239 4.340 -0.000 0.000 0.212 21 L C 2.673 179.624 176.870 0.134 0.000 1.075 21 L CA 2.362 57.233 54.840 0.051 0.000 0.752 21 L CB -0.329 41.748 42.059 0.030 0.000 0.891 21 L HN 0.615 nan 8.230 nan 0.000 0.432 22 W N 1.295 122.549 121.300 -0.076 0.000 2.355 22 W HA -0.249 4.411 4.660 -0.000 0.000 0.309 22 W C 2.677 179.256 176.519 0.100 0.000 1.206 22 W CA 1.584 58.918 57.345 -0.018 0.000 1.284 22 W CB -0.180 29.160 29.460 -0.199 0.000 1.145 22 W HN 0.123 nan 8.180 nan 0.000 0.502 23 R N 0.999 121.557 120.500 0.097 0.000 2.120 23 R HA -0.167 4.173 4.340 -0.000 0.000 0.234 23 R C 0.411 176.713 176.300 0.004 0.000 1.123 23 R CA 1.989 58.126 56.100 0.061 0.000 0.975 23 R CB -0.442 29.938 30.300 0.135 0.000 0.866 23 R HN 0.445 nan 8.270 nan 0.000 0.446 24 N N -3.284 115.433 118.700 0.028 0.000 2.609 24 N HA -0.009 4.731 4.740 -0.000 0.000 0.251 24 N C -0.839 174.731 175.510 0.100 0.000 1.526 24 N CA -0.344 52.721 53.050 0.025 0.000 0.931 24 N CB 0.289 38.797 38.487 0.036 0.000 1.460 24 N HN 0.105 nan 8.380 nan 0.000 0.526 25 Y N -0.319 119.930 120.300 -0.085 0.000 2.811 25 Y HA 0.173 4.723 4.550 -0.000 0.000 0.256 25 Y C 1.279 177.099 175.900 -0.133 0.000 1.135 25 Y CA 0.292 58.348 58.100 -0.073 0.000 1.178 25 Y CB 0.141 38.588 38.460 -0.022 0.000 1.385 25 Y HN -0.066 nan 8.280 nan 0.000 0.498 26 V N 1.820 121.725 119.914 -0.015 0.000 2.255 26 V HA -0.341 3.779 4.120 -0.000 0.000 0.247 26 V C 2.631 178.633 176.094 -0.153 0.000 1.051 26 V CA 2.445 64.558 62.300 -0.312 0.000 1.018 26 V CB -1.571 30.008 31.823 -0.406 0.000 0.641 26 V HN 0.542 nan 8.190 nan 0.000 0.445 27 A N 0.012 122.796 122.820 -0.061 0.000 1.849 27 A HA -0.337 3.983 4.320 -0.000 0.000 0.217 27 A C 2.373 179.809 177.584 -0.246 0.000 1.202 27 A CA 2.587 54.521 52.037 -0.171 0.000 0.629 27 A CB -0.710 18.035 19.000 -0.426 0.000 0.834 27 A HN 0.506 nan 8.150 nan 0.000 0.447 28 K N -0.518 119.716 120.400 -0.276 0.000 2.044 28 K HA -0.280 4.040 4.320 -0.000 0.000 0.210 28 K C 1.790 178.240 176.600 -0.250 0.000 1.049 28 K CA 2.302 58.424 56.287 -0.276 0.000 0.927 28 K CB -0.432 31.902 32.500 -0.277 0.000 0.713 28 K HN 0.464 nan 8.250 nan 0.000 0.443 29 D N 0.387 120.595 120.400 -0.320 0.000 2.092 29 D HA -0.150 4.490 4.640 -0.000 0.000 0.193 29 D C 2.171 178.482 176.300 0.020 0.000 0.994 29 D CA 1.347 55.224 54.000 -0.205 0.000 0.828 29 D CB -0.036 40.647 40.800 -0.195 0.000 0.963 29 D HN 0.215 nan 8.370 nan 0.000 0.450 30 L N 0.146 121.414 121.223 0.075 0.000 1.989 30 L HA -0.177 4.163 4.340 -0.000 0.000 0.211 30 L C 2.634 179.612 176.870 0.179 0.000 1.071 30 L CA 0.980 55.951 54.840 0.219 0.000 0.749 30 L CB -0.500 41.711 42.059 0.252 0.000 0.890 30 L HN 0.178 nan 8.230 nan 0.000 0.431 31 I N -0.929 119.626 120.570 -0.026 0.000 2.335 31 I HA -0.308 3.862 4.170 -0.000 0.000 0.251 31 I C 2.761 178.899 176.117 0.036 0.000 1.129 31 I CA 1.342 62.632 61.300 -0.017 0.000 1.402 31 I CB -0.210 37.648 38.000 -0.236 0.000 1.069 31 I HN 0.296 nan 8.210 nan 0.000 0.424 32 S N 0.656 116.354 115.700 -0.003 0.000 2.327 32 S HA -0.135 4.335 4.470 -0.000 0.000 0.213 32 S C 1.555 176.181 174.600 0.043 0.000 1.032 32 S CA 1.328 59.528 58.200 -0.001 0.000 0.960 32 S CB -0.090 63.082 63.200 -0.046 0.000 0.900 32 S HN 0.315 nan 8.310 nan 0.000 0.469 33 D N -0.209 120.229 120.400 0.063 0.000 2.323 33 D HA 0.183 4.823 4.640 -0.000 0.000 0.209 33 D C 0.085 176.450 176.300 0.109 0.000 0.973 33 D CA 0.453 54.501 54.000 0.080 0.000 0.874 33 D CB 0.115 40.968 40.800 0.088 0.000 0.930 33 D HN 0.289 nan 8.370 nan 0.000 0.521 34 C N 0.818 120.218 119.300 0.167 0.000 3.163 34 C HA 0.364 4.824 4.460 -0.000 0.000 0.228 34 C C 0.416 175.548 174.990 0.238 0.000 1.593 34 C CA -1.202 57.935 59.018 0.197 0.000 1.489 34 C CB -1.077 26.826 27.740 0.271 0.000 2.294 34 C HN 0.086 nan 8.230 nan 0.000 0.508 35 S N 1.880 117.679 115.700 0.166 0.000 2.575 35 S HA 0.322 4.792 4.470 -0.000 0.000 0.295 35 S C 0.151 174.813 174.600 0.103 0.000 1.267 35 S CA 0.916 59.213 58.200 0.162 0.000 1.074 35 S CB 0.214 63.470 63.200 0.093 0.000 0.829 35 S HN 0.838 nan 8.310 nan 0.000 0.497 36 S N 2.166 117.936 115.700 0.115 0.000 2.611 36 S HA 0.521 4.991 4.470 -0.000 0.000 0.268 36 S C 0.618 175.246 174.600 0.047 0.000 1.156 36 S CA 0.023 58.180 58.200 -0.071 0.000 0.817 36 S CB 1.005 63.926 63.200 -0.464 0.000 1.122 36 S HN 0.906 nan 8.310 nan 0.000 0.466 37 T N -0.755 113.803 114.554 0.005 0.000 3.037 37 T HA 0.337 4.687 4.350 -0.000 0.000 0.251 37 T C 0.377 175.147 174.700 0.116 0.000 1.079 37 T CA 0.351 62.506 62.100 0.091 0.000 1.067 37 T CB -0.094 68.805 68.868 0.051 0.000 0.948 37 T HN 0.540 nan 8.240 nan 0.000 0.496 38 T N 1.552 116.085 114.554 -0.036 0.000 2.921 38 T HA 0.587 4.937 4.350 -0.000 0.000 0.297 38 T C -1.976 172.594 174.700 -0.217 0.000 1.013 38 T CA -0.516 61.579 62.100 -0.008 0.000 0.990 38 T CB 1.405 70.251 68.868 -0.037 0.000 1.023 38 T HN 0.190 nan 8.240 nan 0.000 0.447 39 Y N 1.073 121.431 120.300 0.097 0.000 2.338 39 Y HA 0.557 5.107 4.550 0.000 0.000 0.333 39 Y C -0.318 175.614 175.900 0.053 0.000 0.968 39 Y CA -1.080 57.077 58.100 0.094 0.000 1.123 39 Y CB 1.562 40.089 38.460 0.111 0.000 1.165 39 Y HN 0.332 nan 8.280 nan 0.000 0.452 40 V N 5.493 125.522 119.914 0.193 0.000 2.347 40 V HA 0.279 4.399 4.120 -0.000 0.000 0.280 40 V C -0.524 175.716 176.094 0.243 0.000 1.021 40 V CA -0.783 61.653 62.300 0.226 0.000 0.847 40 V CB 1.501 33.434 31.823 0.184 0.000 0.990 40 V HN 0.556 nan 8.190 nan 0.000 0.444 41 L N 7.445 128.824 121.223 0.260 0.000 2.275 41 L HA 0.657 4.997 4.340 -0.000 0.000 0.288 41 L C -0.619 176.350 176.870 0.164 0.000 1.046 41 L CA 0.144 55.109 54.840 0.208 0.000 0.805 41 L CB 1.665 43.859 42.059 0.225 0.000 1.193 41 L HN 0.429 nan 8.230 nan 0.000 0.426 42 V N 4.794 124.768 119.914 0.101 0.000 2.604 42 V HA 0.773 4.893 4.120 -0.000 0.000 0.305 42 V C 0.093 176.201 176.094 0.022 0.000 1.043 42 V CA -0.351 61.982 62.300 0.055 0.000 0.888 42 V CB 1.838 33.652 31.823 -0.015 0.000 0.995 42 V HN 0.974 nan 8.190 nan 0.000 0.429 43 T N 1.976 116.546 114.554 0.028 0.000 2.658 43 T HA 0.431 4.781 4.350 -0.000 0.000 0.305 43 T C -2.178 172.523 174.700 0.003 0.000 1.551 43 T CA -0.307 61.784 62.100 -0.015 0.000 0.985 43 T CB 1.853 70.698 68.868 -0.039 0.000 1.731 43 T HN 0.962 nan 8.240 nan 0.000 0.486 44 D N -0.794 119.597 120.400 -0.015 0.000 2.392 44 D HA 0.407 5.047 4.640 -0.000 0.000 0.246 44 D C 1.527 177.821 176.300 -0.010 0.000 1.013 44 D CA 0.249 54.243 54.000 -0.010 0.000 0.993 44 D CB 0.809 41.602 40.800 -0.012 0.000 1.219 44 D HN 0.608 nan 8.370 nan 0.000 0.538 45 T N -1.537 113.007 114.554 -0.017 0.000 2.881 45 T HA -0.181 4.169 4.350 -0.000 0.000 0.270 45 T C 1.169 175.868 174.700 -0.002 0.000 1.068 45 T CA 1.076 63.168 62.100 -0.014 0.000 1.131 45 T CB -0.464 68.390 68.868 -0.024 0.000 0.871 45 T HN 0.301 nan 8.240 nan 0.000 0.479 46 N N 1.939 120.640 118.700 0.001 0.000 2.047 46 N HA 0.075 4.815 4.740 -0.000 0.000 0.193 46 N C 1.976 177.499 175.510 0.022 0.000 1.055 46 N CA 1.552 54.608 53.050 0.009 0.000 0.847 46 N CB -0.649 37.847 38.487 0.015 0.000 1.038 46 N HN 0.419 nan 8.380 nan 0.000 0.427 47 I N 0.829 121.424 120.570 0.042 0.000 2.118 47 I HA -0.225 3.945 4.170 -0.000 0.000 0.241 47 I C 2.447 178.643 176.117 0.131 0.000 1.070 47 I CA 1.638 63.003 61.300 0.109 0.000 1.327 47 I CB -0.867 37.144 38.000 0.019 0.000 1.034 47 I HN 0.200 nan 8.210 nan 0.000 0.405 48 G N 0.565 109.406 108.800 0.068 0.000 2.418 48 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 48 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 48 G C 1.770 176.721 174.900 0.085 0.000 1.158 48 G CA 1.097 46.252 45.100 0.091 0.000 0.771 48 G HN 0.525 nan 8.290 nan 0.000 0.545 49 S N 0.178 115.898 115.700 0.034 0.000 2.442 49 S HA 0.030 4.500 4.470 -0.000 0.000 0.236 49 S C 2.167 176.754 174.600 -0.022 0.000 1.007 49 S CA 1.069 59.277 58.200 0.014 0.000 0.965 49 S CB -0.232 62.966 63.200 -0.004 0.000 0.773 49 S HN 0.400 nan 8.310 nan 0.000 0.504 50 I N -1.475 119.041 120.570 -0.090 0.000 2.927 50 I HA 0.131 4.301 4.170 -0.000 0.000 0.268 50 I C 1.443 177.351 176.117 -0.349 0.000 1.153 50 I CA 0.681 61.793 61.300 -0.314 0.000 1.459 50 I CB 0.052 37.674 38.000 -0.629 0.000 1.149 50 I HN 0.218 nan 8.210 nan 0.000 0.443 51 Y N -0.388 120.011 120.300 0.164 0.000 2.426 51 Y HA 0.135 4.685 4.550 -0.000 0.000 0.249 51 Y C 2.432 178.623 175.900 0.485 0.000 1.103 51 Y CA 0.122 58.395 58.100 0.289 0.000 1.256 51 Y CB -0.354 38.168 38.460 0.103 0.000 1.208 51 Y HN -0.079 nan 8.280 nan 0.000 0.519 52 T N 1.085 115.911 114.554 0.453 0.000 2.857 52 T HA -0.065 4.285 4.350 -0.000 0.000 0.266 52 T C -0.669 174.274 174.700 0.406 0.000 1.048 52 T CA 1.191 63.569 62.100 0.465 0.000 1.139 52 T CB -1.003 68.038 68.868 0.288 0.000 0.874 52 T HN 0.146 nan 8.240 nan 0.000 0.455 53 P HA -0.156 nan 4.420 nan 0.000 0.214 53 P C 2.071 179.500 177.300 0.215 0.000 1.163 53 P CA 1.661 64.885 63.100 0.206 0.000 0.889 53 P CB -0.231 31.556 31.700 0.145 0.000 0.790 54 S N -1.228 114.632 115.700 0.268 0.000 2.353 54 S HA -0.244 4.226 4.470 -0.000 0.000 0.222 54 S C 1.990 176.692 174.600 0.168 0.000 1.035 54 S CA 1.246 59.576 58.200 0.217 0.000 1.025 54 S CB -1.788 61.584 63.200 0.286 0.000 0.902 54 S HN 0.006 nan 8.310 nan 0.000 0.440 55 F N 2.819 122.813 119.950 0.074 0.000 2.126 55 F HA -0.020 4.507 4.527 -0.000 0.000 0.299 55 F C 2.401 178.196 175.800 -0.010 0.000 1.096 55 F CA 1.902 59.810 58.000 -0.153 0.000 1.255 55 F CB -0.577 38.311 39.000 -0.187 0.000 0.997 55 F HN 0.311 nan 8.300 nan 0.000 0.479 56 E N -0.354 119.932 120.200 0.143 0.000 2.070 56 E HA -0.274 4.076 4.350 -0.000 0.000 0.197 56 E C 2.210 178.806 176.600 -0.008 0.000 1.004 56 E CA 1.446 57.880 56.400 0.057 0.000 0.805 56 E CB -0.408 29.364 29.700 0.121 0.000 0.744 56 E HN 0.487 nan 8.360 nan 0.000 0.451 57 E N 0.587 120.785 120.200 -0.004 0.000 2.046 57 E HA -0.134 4.216 4.350 -0.000 0.000 0.190 57 E C 2.074 178.611 176.600 -0.104 0.000 0.982 57 E CA 0.904 57.286 56.400 -0.028 0.000 0.800 57 E CB -0.025 29.675 29.700 0.001 0.000 0.756 57 E HN 0.174 nan 8.360 nan 0.000 0.449 58 A N 0.409 123.130 122.820 -0.164 0.000 1.972 58 A HA -0.179 4.141 4.320 -0.000 0.000 0.219 58 A C 1.992 179.358 177.584 -0.364 0.000 1.169 58 A CA 1.157 53.045 52.037 -0.250 0.000 0.635 58 A CB -0.742 18.091 19.000 -0.278 0.000 0.810 58 A HN 0.388 nan 8.150 nan 0.000 0.446 59 F N 0.222 119.791 119.950 -0.636 0.000 2.098 59 F HA -0.035 4.492 4.527 -0.000 0.000 0.294 59 F C 2.355 177.944 175.800 -0.352 0.000 1.107 59 F CA 1.711 59.325 58.000 -0.642 0.000 1.234 59 F CB -0.277 38.267 39.000 -0.760 0.000 1.002 59 F HN 0.197 nan 8.300 nan 0.000 0.472 60 R N 1.002 121.437 120.500 -0.109 0.000 2.105 60 R HA -0.243 4.097 4.340 -0.000 0.000 0.239 60 R C 2.377 178.564 176.300 -0.189 0.000 1.135 60 R CA 2.005 58.041 56.100 -0.107 0.000 0.967 60 R CB -0.472 29.818 30.300 -0.017 0.000 0.861 60 R HN 0.356 nan 8.270 nan 0.000 0.442 61 K N -0.278 120.007 120.400 -0.191 0.000 2.211 61 K HA -0.107 4.213 4.320 -0.000 0.000 0.203 61 K C 1.657 178.122 176.600 -0.225 0.000 1.050 61 K CA 1.012 57.195 56.287 -0.174 0.000 0.945 61 K CB 0.156 32.569 32.500 -0.145 0.000 0.732 61 K HN 0.083 nan 8.250 nan 0.000 0.451 62 R N -0.303 119.994 120.500 -0.339 0.000 2.206 62 R HA 0.160 4.500 4.340 -0.000 0.000 0.198 62 R C 2.062 178.113 176.300 -0.415 0.000 0.986 62 R CA 0.898 56.777 56.100 -0.369 0.000 1.029 62 R CB -0.179 29.859 30.300 -0.438 0.000 0.966 62 R HN 0.253 nan 8.270 nan 0.000 0.487 63 A N 1.038 123.533 122.820 -0.540 0.000 2.014 63 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 63 A C 2.215 179.655 177.584 -0.240 0.000 1.163 63 A CA 1.391 53.148 52.037 -0.467 0.000 0.652 63 A CB -0.277 18.395 19.000 -0.547 0.000 0.808 63 A HN 0.254 nan 8.150 nan 0.000 0.449 64 A N -0.133 122.568 122.820 -0.199 0.000 1.969 64 A HA -0.145 4.175 4.320 -0.000 0.000 0.218 64 A C 1.966 179.485 177.584 -0.108 0.000 1.169 64 A CA 1.626 53.589 52.037 -0.123 0.000 0.635 64 A CB -0.437 18.502 19.000 -0.102 0.000 0.810 64 A HN 0.660 nan 8.150 nan 0.000 0.445 65 E N -0.927 119.195 120.200 -0.130 0.000 2.150 65 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 65 E C -0.424 176.121 176.600 -0.091 0.000 0.985 65 E CA 0.421 56.758 56.400 -0.105 0.000 0.814 65 E CB -0.055 29.573 29.700 -0.119 0.000 0.752 65 E HN 0.532 nan 8.360 nan 0.000 0.466 66 I N 0.712 121.219 120.570 -0.106 0.000 2.498 66 I HA 0.187 4.357 4.170 -0.000 0.000 0.301 66 I C -0.214 175.868 176.117 -0.058 0.000 0.984 66 I CA -0.343 60.912 61.300 -0.076 0.000 1.204 66 I CB 2.060 40.012 38.000 -0.080 0.000 1.362 66 I HN -0.098 nan 8.210 nan 0.000 0.471 67 T N 2.313 116.847 114.554 -0.033 0.000 2.952 67 T HA 0.692 5.042 4.350 -0.000 0.000 0.305 67 T C -2.470 172.227 174.700 -0.006 0.000 1.064 67 T CA -1.380 60.708 62.100 -0.020 0.000 1.008 67 T CB 1.286 70.142 68.868 -0.021 0.000 1.078 67 T HN 0.482 nan 8.240 nan 0.000 0.459 68 P HA 0.314 nan 4.420 nan 0.000 0.271 68 P C -0.381 176.922 177.300 0.006 0.000 1.218 68 P CA -0.433 62.670 63.100 0.005 0.000 0.780 68 P CB 0.496 32.204 31.700 0.014 0.000 0.901 69 S N 3.235 118.933 115.700 -0.003 0.000 2.516 69 S HA 0.187 4.657 4.470 -0.000 0.000 0.282 69 S C -1.769 172.856 174.600 0.042 0.000 1.286 69 S CA -0.508 57.682 58.200 -0.016 0.000 1.066 69 S CB -0.473 62.708 63.200 -0.032 0.000 0.884 69 S HN 0.436 nan 8.310 nan 0.000 0.491 70 P HA 0.207 nan 4.420 nan 0.000 0.272 70 P C -0.285 177.205 177.300 0.317 0.000 1.254 70 P CA -0.520 62.716 63.100 0.226 0.000 0.795 70 P CB 0.447 32.358 31.700 0.351 0.000 1.022 71 R N 0.067 120.805 120.500 0.397 0.000 2.740 71 R HA 0.767 5.107 4.340 -0.000 0.000 0.282 71 R C -1.504 174.975 176.300 0.298 0.000 0.969 71 R CA -1.072 55.226 56.100 0.330 0.000 0.918 71 R CB 0.807 31.204 30.300 0.162 0.000 1.175 71 R HN 0.241 nan 8.270 nan 0.000 0.464 72 L N 3.387 124.646 121.223 0.060 0.000 2.319 72 L HA 0.455 4.795 4.340 -0.000 0.000 0.281 72 L C -1.551 175.312 176.870 -0.011 0.000 1.005 72 L CA -0.695 53.982 54.840 -0.272 0.000 0.828 72 L CB 1.513 43.020 42.059 -0.920 0.000 1.227 72 L HN 0.685 nan 8.230 nan 0.000 0.415 73 L N 6.330 127.606 121.223 0.089 0.000 2.307 73 L HA 0.556 4.896 4.340 -0.000 0.000 0.284 73 L C -0.545 176.590 176.870 0.441 0.000 1.023 73 L CA -0.432 54.545 54.840 0.230 0.000 0.810 73 L CB 1.653 43.747 42.059 0.058 0.000 1.231 73 L HN 0.551 nan 8.230 nan 0.000 0.423 74 I N 2.981 123.833 120.570 0.470 0.000 2.404 74 I HA 0.293 4.463 4.170 -0.000 0.000 0.293 74 I C -1.171 175.016 176.117 0.115 0.000 0.992 74 I CA -0.657 60.828 61.300 0.309 0.000 1.149 74 I CB 1.729 39.843 38.000 0.190 0.000 1.315 74 I HN 0.417 nan 8.210 nan 0.000 0.446 75 Y N 5.909 126.054 120.300 -0.258 0.000 2.326 75 Y HA 0.435 4.985 4.550 -0.000 0.000 0.329 75 Y C -0.915 174.795 175.900 -0.316 0.000 0.973 75 Y CA -0.884 56.832 58.100 -0.639 0.000 1.162 75 Y CB 1.259 39.093 38.460 -1.044 0.000 1.147 75 Y HN 0.525 nan 8.280 nan 0.000 0.456 76 N N 4.485 122.907 118.700 -0.463 0.000 2.437 76 N HA 0.669 5.409 4.740 -0.000 0.000 0.259 76 N C -0.433 174.927 175.510 -0.250 0.000 0.983 76 N CA -0.490 52.426 53.050 -0.222 0.000 0.937 76 N CB 0.925 39.309 38.487 -0.172 0.000 1.122 76 N HN 0.773 nan 8.380 nan 0.000 0.499 77 R N 2.455 122.948 120.500 -0.011 0.000 2.598 77 R HA 0.576 4.916 4.340 -0.000 0.000 0.279 77 R C -2.726 173.570 176.300 -0.006 0.000 0.984 77 R CA -1.853 54.275 56.100 0.046 0.000 0.999 77 R CB -0.331 30.061 30.300 0.154 0.000 1.114 77 R HN 0.411 nan 8.270 nan 0.000 0.493 78 P HA 0.182 nan 4.420 nan 0.000 0.271 78 P C -2.592 174.705 177.300 -0.005 0.000 1.218 78 P CA -1.104 61.988 63.100 -0.013 0.000 0.780 78 P CB 0.709 32.401 31.700 -0.013 0.000 0.901 79 P HA 0.244 nan 4.420 nan 0.000 0.273 79 P C 0.255 177.552 177.300 -0.004 0.000 1.250 79 P CA 0.670 63.767 63.100 -0.005 0.000 0.793 79 P CB 0.177 31.875 31.700 -0.003 0.000 1.011 80 G N 0.387 109.184 108.800 -0.005 0.000 2.587 80 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.686 80 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.686 80 G C 0.485 175.380 174.900 -0.008 0.000 1.236 80 G CA 0.087 45.184 45.100 -0.005 0.000 0.820 80 G HN 0.506 nan 8.290 nan 0.000 0.645 81 E N -0.146 120.048 120.200 -0.009 0.000 2.267 81 E HA -0.079 4.271 4.350 -0.000 0.000 0.197 81 E C 2.486 179.080 176.600 -0.011 0.000 0.998 81 E CA 2.120 58.512 56.400 -0.015 0.000 0.830 81 E CB 0.017 29.707 29.700 -0.016 0.000 0.751 81 E HN 1.241 nan 8.360 nan 0.000 0.491 82 V N -0.366 119.545 119.914 -0.006 0.000 2.720 82 V HA -0.196 3.924 4.120 -0.000 0.000 0.256 82 V C 1.719 177.813 176.094 0.000 0.000 1.082 82 V CA 2.185 64.483 62.300 -0.003 0.000 1.101 82 V CB -0.289 31.533 31.823 -0.001 0.000 0.693 82 V HN 0.297 nan 8.190 nan 0.000 0.479 83 S N -0.926 114.774 115.700 0.000 0.000 2.527 83 S HA 0.040 4.510 4.470 -0.000 0.000 0.222 83 S C 1.234 175.834 174.600 0.001 0.000 0.985 83 S CA 0.198 58.401 58.200 0.005 0.000 0.921 83 S CB -0.172 63.033 63.200 0.009 0.000 0.772 83 S HN 0.535 nan 8.310 nan 0.000 0.529 84 K N 3.335 123.733 120.400 -0.003 0.000 2.278 84 K HA 0.125 4.445 4.320 -0.000 0.000 0.237 84 K C -0.399 176.206 176.600 0.009 0.000 1.229 84 K CA -0.143 56.144 56.287 0.000 0.000 1.155 84 K CB -0.301 32.192 32.500 -0.012 0.000 1.590 84 K HN 0.386 nan 8.250 nan 0.000 0.290 85 S N 0.219 115.929 115.700 0.016 0.000 2.661 85 S HA 0.388 4.858 4.470 -0.000 0.000 0.285 85 S C 0.800 175.418 174.600 0.031 0.000 1.138 85 S CA -1.054 57.159 58.200 0.022 0.000 0.855 85 S CB 1.635 64.843 63.200 0.012 0.000 1.136 85 S HN 0.461 nan 8.310 nan 0.000 0.484 86 R N 0.235 120.756 120.500 0.034 0.000 2.091 86 R HA -0.131 4.209 4.340 -0.000 0.000 0.238 86 R C 2.031 178.334 176.300 0.004 0.000 1.136 86 R CA 1.900 58.017 56.100 0.028 0.000 0.959 86 R CB -0.615 29.702 30.300 0.027 0.000 0.856 86 R HN 0.634 nan 8.270 nan 0.000 0.437 87 Q N -0.110 119.695 119.800 0.008 0.000 2.061 87 Q HA -0.120 4.220 4.340 -0.000 0.000 0.204 87 Q C 2.114 178.117 176.000 0.005 0.000 0.984 87 Q CA 2.226 58.034 55.803 0.009 0.000 0.846 87 Q CB -0.621 28.126 28.738 0.015 0.000 0.902 87 Q HN 0.278 nan 8.270 nan 0.000 0.421 88 T N 0.519 115.073 114.554 0.000 0.000 2.867 88 T HA -0.133 4.217 4.350 -0.000 0.000 0.268 88 T C 1.634 176.282 174.700 -0.087 0.000 1.057 88 T CA 1.369 63.459 62.100 -0.017 0.000 1.136 88 T CB -0.126 68.736 68.868 -0.010 0.000 0.874 88 T HN 0.285 nan 8.240 nan 0.000 0.466 89 K N 1.258 121.613 120.400 -0.074 0.000 2.026 89 K HA -0.000 4.320 4.320 -0.000 0.000 0.208 89 K C 2.486 179.023 176.600 -0.106 0.000 1.048 89 K CA 1.233 57.449 56.287 -0.119 0.000 0.929 89 K CB -0.316 32.113 32.500 -0.118 0.000 0.713 89 K HN 0.262 nan 8.250 nan 0.000 0.439 90 A N 0.905 123.689 122.820 -0.060 0.000 1.930 90 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 90 A C 1.824 179.417 177.584 0.015 0.000 1.175 90 A CA 1.983 54.004 52.037 -0.026 0.000 0.627 90 A CB -0.654 18.338 19.000 -0.013 0.000 0.815 90 A HN 0.548 nan 8.150 nan 0.000 0.443 91 D N -0.106 120.306 120.400 0.020 0.000 2.144 91 D HA -0.089 4.551 4.640 -0.000 0.000 0.200 91 D C 1.717 178.081 176.300 0.107 0.000 0.978 91 D CA 1.198 55.254 54.000 0.093 0.000 0.833 91 D CB -0.196 40.682 40.800 0.131 0.000 0.961 91 D HN 0.484 nan 8.370 nan 0.000 0.470 92 I N 0.415 120.905 120.570 -0.134 0.000 2.252 92 I HA -0.190 3.980 4.170 -0.000 0.000 0.245 92 I C 2.228 178.386 176.117 0.069 0.000 1.102 92 I CA 1.020 62.133 61.300 -0.312 0.000 1.385 92 I CB -0.296 37.331 38.000 -0.622 0.000 1.064 92 I HN 0.074 nan 8.210 nan 0.000 0.414 93 E N 0.860 121.089 120.200 0.048 0.000 2.051 93 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 93 E C 1.738 178.471 176.600 0.222 0.000 0.991 93 E CA 1.416 57.918 56.400 0.170 0.000 0.799 93 E CB -0.158 29.608 29.700 0.110 0.000 0.748 93 E HN 0.428 nan 8.360 nan 0.000 0.449 94 D N 0.105 120.607 120.400 0.169 0.000 2.149 94 D HA -0.168 4.472 4.640 -0.000 0.000 0.198 94 D C 1.456 177.894 176.300 0.229 0.000 0.990 94 D CA 0.739 54.837 54.000 0.164 0.000 0.839 94 D CB -0.368 40.511 40.800 0.132 0.000 0.948 94 D HN 0.282 nan 8.370 nan 0.000 0.460 95 W N 1.234 122.586 121.300 0.087 0.000 2.354 95 W HA -0.155 4.505 4.660 -0.000 0.000 0.315 95 W C 2.316 178.886 176.519 0.084 0.000 1.206 95 W CA 1.441 58.853 57.345 0.112 0.000 1.290 95 W CB -0.406 29.184 29.460 0.217 0.000 1.152 95 W HN -0.143 nan 8.180 nan 0.000 0.489 96 M N 0.180 119.850 119.600 0.115 0.000 2.080 96 M HA -0.253 4.227 4.480 -0.000 0.000 0.260 96 M C 2.162 178.426 176.300 -0.060 0.000 1.068 96 M CA 1.893 57.088 55.300 -0.176 0.000 1.109 96 M CB -1.003 31.497 32.600 -0.167 0.000 1.342 96 M HN 0.059 nan 8.290 nan 0.000 0.405 97 L N -0.780 120.514 121.223 0.119 0.000 2.201 97 L HA -0.143 4.197 4.340 -0.000 0.000 0.212 97 L C 2.400 179.272 176.870 0.004 0.000 1.105 97 L CA 0.735 55.633 54.840 0.095 0.000 0.775 97 L CB -0.444 41.668 42.059 0.088 0.000 0.913 97 L HN 0.228 nan 8.230 nan 0.000 0.440 98 S N -1.637 114.046 115.700 -0.030 0.000 2.461 98 S HA -0.018 4.452 4.470 -0.000 0.000 0.228 98 S C 0.834 175.372 174.600 -0.102 0.000 1.005 98 S CA 0.105 58.278 58.200 -0.045 0.000 0.942 98 S CB -0.058 63.138 63.200 -0.007 0.000 0.776 98 S HN 0.308 nan 8.310 nan 0.000 0.514 99 Q N 2.021 121.700 119.800 -0.202 0.000 2.450 99 Q HA 0.034 4.374 4.340 -0.000 0.000 0.294 99 Q C -0.009 175.926 176.000 -0.108 0.000 1.129 99 Q CA 0.644 56.320 55.803 -0.213 0.000 0.970 99 Q CB -0.040 28.514 28.738 -0.306 0.000 1.294 99 Q HN 0.430 nan 8.270 nan 0.000 0.453 100 N N 2.120 120.771 118.700 -0.082 0.000 2.564 100 N HA 0.303 5.043 4.740 -0.000 0.000 0.248 100 N C -2.213 173.277 175.510 -0.034 0.000 0.986 100 N CA -1.189 51.834 53.050 -0.044 0.000 0.921 100 N CB 1.024 39.494 38.487 -0.028 0.000 1.136 100 N HN 0.329 nan 8.380 nan 0.000 0.509 101 P HA 0.432 nan 4.420 nan 0.000 0.278 101 P C -2.911 174.365 177.300 -0.039 0.000 1.266 101 P CA -1.328 61.757 63.100 -0.025 0.000 0.807 101 P CB 0.409 32.102 31.700 -0.011 0.000 1.094 102 P HA 0.025 nan 4.420 nan 0.000 0.267 102 P C -0.253 177.049 177.300 0.004 0.000 1.200 102 P CA -0.041 63.047 63.100 -0.019 0.000 0.772 102 P CB 0.167 31.868 31.700 0.002 0.000 0.855 103 C N 3.476 122.785 119.300 0.016 0.000 2.651 103 C HA 0.375 4.835 4.460 -0.000 0.000 0.410 103 C C 1.537 176.633 174.990 0.175 0.000 1.372 103 C CA 0.292 59.331 59.018 0.034 0.000 1.707 103 C CB -0.929 26.761 27.740 -0.084 0.000 2.501 103 C HN 0.669 nan 8.230 nan 0.000 0.598 104 G N 2.694 111.558 108.800 0.106 0.000 2.532 104 G HA2 0.314 4.274 3.960 -0.000 0.000 0.291 104 G HA3 0.314 4.274 3.960 -0.000 0.000 0.291 104 G C 0.700 175.691 174.900 0.151 0.000 1.349 104 G CA -0.669 44.499 45.100 0.114 0.000 1.038 104 G HN 0.761 nan 8.290 nan 0.000 0.518 105 R N -0.100 120.461 120.500 0.101 0.000 2.328 105 R HA -0.037 4.303 4.340 -0.000 0.000 0.207 105 R C 1.377 177.730 176.300 0.088 0.000 1.056 105 R CA 1.173 57.337 56.100 0.107 0.000 1.016 105 R CB 0.106 30.445 30.300 0.065 0.000 0.872 105 R HN 0.676 nan 8.270 nan 0.000 0.471 106 D N -0.345 120.087 120.400 0.053 0.000 2.349 106 D HA -0.044 4.596 4.640 -0.000 0.000 0.215 106 D C 0.025 176.307 176.300 -0.029 0.000 1.016 106 D CA 0.126 54.136 54.000 0.017 0.000 0.870 106 D CB -0.083 40.718 40.800 0.002 0.000 0.917 106 D HN -0.197 nan 8.370 nan 0.000 0.524 107 T N 0.741 115.288 114.554 -0.012 0.000 2.933 107 T HA 0.172 4.522 4.350 -0.000 0.000 0.306 107 T C 0.125 174.787 174.700 -0.064 0.000 1.045 107 T CA -0.034 62.023 62.100 -0.072 0.000 1.143 107 T CB 1.658 70.483 68.868 -0.072 0.000 1.003 107 T HN -0.087 nan 8.240 nan 0.000 0.540 108 V N 4.755 124.579 119.914 -0.151 0.000 2.326 108 V HA 0.260 4.380 4.120 -0.000 0.000 0.281 108 V C 0.115 176.270 176.094 0.101 0.000 1.015 108 V CA -0.810 61.472 62.300 -0.030 0.000 0.823 108 V CB 1.491 33.233 31.823 -0.135 0.000 1.009 108 V HN 0.712 nan 8.190 nan 0.000 0.436 109 V N 6.098 126.116 119.914 0.172 0.000 2.498 109 V HA 0.383 4.503 4.120 -0.000 0.000 0.279 109 V C 0.106 176.368 176.094 0.281 0.000 1.048 109 V CA -0.395 62.023 62.300 0.196 0.000 0.967 109 V CB 1.440 33.347 31.823 0.140 0.000 0.988 109 V HN 0.557 nan 8.190 nan 0.000 0.473 110 I N 4.212 124.934 120.570 0.254 0.000 2.312 110 I HA 0.436 4.606 4.170 -0.000 0.000 0.290 110 I C 0.607 176.829 176.117 0.176 0.000 1.008 110 I CA -0.530 60.919 61.300 0.248 0.000 1.226 110 I CB 1.084 39.230 38.000 0.242 0.000 1.371 110 I HN 0.677 nan 8.210 nan 0.000 0.468 111 A N 7.536 130.464 122.820 0.181 0.000 2.650 111 A HA 0.429 4.749 4.320 -0.000 0.000 0.320 111 A C -0.243 177.327 177.584 -0.023 0.000 1.466 111 A CA -0.387 51.711 52.037 0.102 0.000 1.099 111 A CB -0.211 18.898 19.000 0.182 0.000 1.136 111 A HN 0.611 nan 8.150 nan 0.000 0.532 112 L N 3.547 124.708 121.223 -0.105 0.000 2.288 112 L HA 0.704 5.044 4.340 -0.000 0.000 0.283 112 L C 0.377 177.065 176.870 -0.305 0.000 1.072 112 L CA 1.004 55.656 54.840 -0.313 0.000 0.862 112 L CB 0.164 41.975 42.059 -0.413 0.000 1.245 112 L HN 0.797 nan 8.230 nan 0.000 0.432 113 G N 1.966 110.568 108.800 -0.330 0.000 2.325 113 G HA2 0.452 4.412 3.960 -0.000 0.000 0.295 113 G HA3 0.452 4.412 3.960 -0.000 0.000 0.295 113 G C -0.616 174.148 174.900 -0.227 0.000 1.274 113 G CA -0.240 44.705 45.100 -0.259 0.000 0.857 113 G HN 0.743 nan 8.290 nan 0.000 0.499 114 G N -1.167 107.544 108.800 -0.149 0.000 2.630 114 G HA2 0.523 4.483 3.960 -0.000 0.000 0.223 114 G HA3 0.523 4.483 3.960 -0.000 0.000 0.223 114 G C 1.468 176.323 174.900 -0.076 0.000 1.434 114 G CA 0.681 45.713 45.100 -0.113 0.000 1.057 114 G HN 1.628 nan 8.290 nan 0.000 0.570 115 G N -1.050 107.715 108.800 -0.058 0.000 2.442 115 G HA2 -0.147 3.813 3.960 -0.000 0.000 0.219 115 G HA3 -0.147 3.813 3.960 -0.000 0.000 0.219 115 G C 1.646 176.522 174.900 -0.040 0.000 1.141 115 G CA 1.496 46.568 45.100 -0.046 0.000 0.763 115 G HN 0.380 nan 8.290 nan 0.000 0.554 116 V N 1.391 121.280 119.914 -0.041 0.000 2.237 116 V HA -0.127 3.993 4.120 -0.000 0.000 0.245 116 V C 2.755 178.832 176.094 -0.027 0.000 1.046 116 V CA 1.243 63.523 62.300 -0.034 0.000 1.007 116 V CB -0.341 31.464 31.823 -0.030 0.000 0.638 116 V HN 0.257 nan 8.190 nan 0.000 0.445 117 I N 0.999 121.548 120.570 -0.035 0.000 2.361 117 I HA -0.154 4.016 4.170 -0.000 0.000 0.251 117 I C 2.539 178.648 176.117 -0.014 0.000 1.133 117 I CA 1.877 63.158 61.300 -0.032 0.000 1.413 117 I CB -1.852 36.117 38.000 -0.052 0.000 1.073 117 I HN 0.404 nan 8.210 nan 0.000 0.424 118 G N 0.682 109.477 108.800 -0.010 0.000 2.421 118 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.216 118 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.216 118 G C 1.299 176.230 174.900 0.051 0.000 1.171 118 G CA 0.692 45.813 45.100 0.035 0.000 0.775 118 G HN 0.292 nan 8.290 nan 0.000 0.543 119 D N 0.052 120.463 120.400 0.018 0.000 2.117 119 D HA -0.081 4.559 4.640 -0.000 0.000 0.198 119 D C 2.382 178.702 176.300 0.034 0.000 0.982 119 D CA 0.572 54.581 54.000 0.014 0.000 0.828 119 D CB -0.397 40.390 40.800 -0.023 0.000 0.967 119 D HN 0.243 nan 8.370 nan 0.000 0.464 120 L N 0.815 122.051 121.223 0.022 0.000 1.976 120 L HA -0.151 4.189 4.340 -0.000 0.000 0.209 120 L C 2.091 178.960 176.870 -0.002 0.000 1.071 120 L CA 1.973 56.830 54.840 0.028 0.000 0.746 120 L CB -1.161 40.892 42.059 -0.012 0.000 0.890 120 L HN -0.046 nan 8.230 nan 0.000 0.432 121 T N -0.320 114.215 114.554 -0.032 0.000 2.746 121 T HA -0.092 4.258 4.350 -0.000 0.000 0.267 121 T C 1.723 176.321 174.700 -0.171 0.000 1.039 121 T CA 1.215 63.273 62.100 -0.070 0.000 1.142 121 T CB -1.044 67.822 68.868 -0.002 0.000 0.866 121 T HN 0.611 nan 8.240 nan 0.000 0.444 122 G N 0.705 109.402 108.800 -0.172 0.000 2.422 122 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.218 122 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.218 122 G C 1.329 176.098 174.900 -0.219 0.000 1.146 122 G CA 0.318 45.133 45.100 -0.474 0.000 0.769 122 G HN 0.430 nan 8.290 nan 0.000 0.547 123 F N 1.375 121.192 119.950 -0.221 0.000 2.206 123 F HA 0.029 4.556 4.527 0.000 0.000 0.298 123 F C 2.632 178.297 175.800 -0.225 0.000 1.090 123 F CA 0.392 58.277 58.000 -0.192 0.000 1.323 123 F CB -0.491 38.434 39.000 -0.124 0.000 1.028 123 F HN 0.012 nan 8.300 nan 0.000 0.492 124 V N 0.543 120.319 119.914 -0.229 0.000 2.287 124 V HA -0.312 3.808 4.120 -0.000 0.000 0.248 124 V C 2.791 178.728 176.094 -0.263 0.000 1.053 124 V CA 1.952 64.075 62.300 -0.295 0.000 1.027 124 V CB -1.587 30.109 31.823 -0.211 0.000 0.646 124 V HN 0.412 nan 8.190 nan 0.000 0.447 125 A N 0.563 123.226 122.820 -0.262 0.000 1.933 125 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 125 A C 2.537 179.876 177.584 -0.409 0.000 1.175 125 A CA 2.201 54.118 52.037 -0.200 0.000 0.628 125 A CB -0.743 18.163 19.000 -0.156 0.000 0.814 125 A HN 0.705 nan 8.150 nan 0.000 0.444 126 S N -0.337 114.916 115.700 -0.746 0.000 2.399 126 S HA -0.145 4.325 4.470 -0.000 0.000 0.231 126 S C 1.692 175.751 174.600 -0.901 0.000 1.022 126 S CA 1.964 59.302 58.200 -1.437 0.000 0.983 126 S CB -0.963 61.749 63.200 -0.815 0.000 0.803 126 S HN 0.813 nan 8.310 nan 0.000 0.480 127 T N -3.625 110.609 114.554 -0.534 0.000 3.023 127 T HA 0.251 4.601 4.350 -0.000 0.000 0.253 127 T C 0.259 174.806 174.700 -0.254 0.000 1.038 127 T CA -0.561 61.306 62.100 -0.388 0.000 0.962 127 T CB -0.669 67.955 68.868 -0.407 0.000 1.018 127 T HN 0.327 nan 8.240 nan 0.000 0.521 128 Y N 3.490 123.609 120.300 -0.301 0.000 2.754 128 Y HA 0.305 4.855 4.550 0.000 0.000 0.349 128 Y C 0.924 176.739 175.900 -0.142 0.000 1.179 128 Y CA -0.503 57.483 58.100 -0.190 0.000 1.538 128 Y CB -0.680 37.696 38.460 -0.140 0.000 1.200 128 Y HN 0.258 nan 8.280 nan 0.000 0.522 129 M N 5.581 124.909 119.600 -0.454 0.000 2.461 129 M HA -0.436 4.044 4.480 -0.000 0.000 0.203 129 M C 0.627 176.829 176.300 -0.164 0.000 0.428 129 M CA 1.199 56.313 55.300 -0.310 0.000 0.509 129 M CB -0.978 31.449 32.600 -0.288 0.000 1.851 129 M HN 0.874 nan 8.290 nan 0.000 0.834 130 R N -2.877 117.513 120.500 -0.183 0.000 3.963 130 R HA -0.105 4.235 4.340 -0.000 0.000 0.394 130 R C 0.397 176.578 176.300 -0.197 0.000 1.131 130 R CA 0.816 56.816 56.100 -0.167 0.000 1.059 130 R CB -2.333 27.909 30.300 -0.097 0.000 1.614 130 R HN 1.300 nan 8.270 nan 0.000 0.546 131 G N -0.766 107.915 108.800 -0.198 0.000 2.957 131 G HA2 0.275 4.235 3.960 -0.000 0.000 0.636 131 G HA3 0.275 4.235 3.960 -0.000 0.000 0.636 131 G C -0.633 174.377 174.900 0.184 0.000 1.401 131 G CA -0.495 44.492 45.100 -0.188 0.000 0.941 131 G HN 0.789 nan 8.290 nan 0.000 0.610 132 V N -0.516 119.588 119.914 0.317 0.000 3.159 132 V HA 0.892 5.012 4.120 -0.000 0.000 0.308 132 V C 0.320 176.716 176.094 0.503 0.000 1.190 132 V CA -1.701 60.808 62.300 0.347 0.000 1.037 132 V CB 1.781 33.747 31.823 0.239 0.000 1.060 132 V HN 1.012 nan 8.190 nan 0.000 0.437 133 R N 1.337 122.042 120.500 0.342 0.000 2.641 133 R HA 0.621 4.961 4.340 -0.000 0.000 0.269 133 R C -0.929 175.613 176.300 0.403 0.000 1.074 133 R CA -0.010 56.283 56.100 0.322 0.000 1.133 133 R CB 0.685 31.080 30.300 0.159 0.000 1.029 133 R HN 0.980 nan 8.270 nan 0.000 0.488 134 Y N -1.875 118.515 120.300 0.149 0.000 2.656 134 Y HA 0.563 5.113 4.550 0.000 0.000 0.334 134 Y C -1.499 174.471 175.900 0.116 0.000 1.179 134 Y CA -1.510 56.680 58.100 0.150 0.000 1.050 134 Y CB 0.765 39.334 38.460 0.182 0.000 1.308 134 Y HN 0.338 nan 8.280 nan 0.000 0.456 135 V N -0.030 119.881 119.914 -0.006 0.000 2.914 135 V HA 0.656 4.776 4.120 -0.000 0.000 0.314 135 V C -1.058 175.019 176.094 -0.027 0.000 1.084 135 V CA -0.952 61.271 62.300 -0.127 0.000 0.963 135 V CB 2.018 33.923 31.823 0.137 0.000 1.025 135 V HN 0.878 nan 8.190 nan 0.000 0.432 136 Q N 1.667 121.407 119.800 -0.102 0.000 2.257 136 Q HA 0.610 4.950 4.340 -0.000 0.000 0.255 136 Q C -0.912 175.126 176.000 0.063 0.000 0.920 136 Q CA -0.399 55.403 55.803 -0.003 0.000 0.927 136 Q CB 2.212 30.919 28.738 -0.051 0.000 1.229 136 Q HN 0.784 nan 8.270 nan 0.000 0.433 137 V N 5.016 124.949 119.914 0.032 0.000 2.361 137 V HA 0.182 4.302 4.120 -0.000 0.000 0.252 137 V C -2.184 173.754 176.094 -0.259 0.000 0.986 137 V CA -1.416 60.882 62.300 -0.004 0.000 1.033 137 V CB 1.001 32.819 31.823 -0.008 0.000 1.282 137 V HN 0.576 nan 8.190 nan 0.000 0.514 138 P HA 0.055 nan 4.420 nan 0.000 0.263 138 P C 0.764 177.801 177.300 -0.438 0.000 1.195 138 P CA 0.547 63.500 63.100 -0.245 0.000 0.762 138 P CB 1.048 32.672 31.700 -0.126 0.000 0.799 139 T N -1.408 112.833 114.554 -0.521 0.000 3.044 139 T HA 0.123 4.473 4.350 -0.000 0.000 0.260 139 T C 0.716 175.284 174.700 -0.220 0.000 1.019 139 T CA 0.020 61.733 62.100 -0.644 0.000 0.921 139 T CB -0.365 67.984 68.868 -0.865 0.000 1.053 139 T HN 0.519 nan 8.240 nan 0.000 0.533 140 T N -0.311 114.151 114.554 -0.154 0.000 2.932 140 T HA 0.618 4.968 4.350 -0.000 0.000 0.289 140 T C 0.908 175.551 174.700 -0.095 0.000 1.039 140 T CA -0.936 61.120 62.100 -0.074 0.000 1.024 140 T CB 1.804 70.635 68.868 -0.061 0.000 1.090 140 T HN -0.047 nan 8.240 nan 0.000 0.496 141 L N 1.881 123.028 121.223 -0.127 0.000 2.046 141 L HA 0.131 4.471 4.340 -0.000 0.000 0.208 141 L C 2.203 178.978 176.870 -0.159 0.000 1.077 141 L CA 1.654 56.362 54.840 -0.219 0.000 0.747 141 L CB -1.261 40.514 42.059 -0.474 0.000 0.896 141 L HN 0.858 nan 8.230 nan 0.000 0.432 142 L N -0.639 120.515 121.223 -0.114 0.000 2.083 142 L HA -0.125 4.215 4.340 -0.000 0.000 0.209 142 L C 2.415 179.256 176.870 -0.050 0.000 1.083 142 L CA 1.623 56.427 54.840 -0.060 0.000 0.752 142 L CB -0.471 41.580 42.059 -0.014 0.000 0.899 142 L HN 0.325 nan 8.230 nan 0.000 0.433 143 A N -0.272 122.509 122.820 -0.065 0.000 1.898 143 A HA -0.198 4.122 4.320 -0.000 0.000 0.216 143 A C 2.234 179.779 177.584 -0.065 0.000 1.181 143 A CA 1.812 53.811 52.037 -0.064 0.000 0.620 143 A CB -0.523 18.424 19.000 -0.089 0.000 0.819 143 A HN 0.516 nan 8.150 nan 0.000 0.442 144 M N -0.171 119.381 119.600 -0.081 0.000 2.149 144 M HA -0.146 4.334 4.480 -0.000 0.000 0.261 144 M C 1.847 178.110 176.300 -0.061 0.000 1.064 144 M CA 1.982 57.238 55.300 -0.075 0.000 1.102 144 M CB -0.312 32.235 32.600 -0.089 0.000 1.369 144 M HN 0.469 nan 8.290 nan 0.000 0.408 145 V N -4.407 115.471 119.914 -0.060 0.000 3.578 145 V HA 0.159 4.279 4.120 -0.000 0.000 0.290 145 V C 0.662 176.750 176.094 -0.011 0.000 1.376 145 V CA 0.917 63.194 62.300 -0.038 0.000 1.083 145 V CB 0.169 31.960 31.823 -0.052 0.000 0.911 145 V HN 0.292 nan 8.190 nan 0.000 0.433 146 D N 0.945 121.339 120.400 -0.011 0.000 3.001 146 D HA 0.034 4.674 4.640 -0.000 0.000 0.183 146 D C 2.137 178.439 176.300 0.002 0.000 1.502 146 D CA 1.483 55.488 54.000 0.009 0.000 1.490 146 D CB 0.226 41.046 40.800 0.034 0.000 1.274 146 D HN 0.335 nan 8.370 nan 0.000 0.269 147 S N 0.222 115.919 115.700 -0.005 0.000 2.383 147 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 147 S C 2.012 176.613 174.600 0.002 0.000 1.030 147 S CA 2.031 60.226 58.200 -0.008 0.000 1.002 147 S CB -0.995 62.192 63.200 -0.022 0.000 0.829 147 S HN 0.321 nan 8.310 nan 0.000 0.467 148 S N 0.746 116.441 115.700 -0.009 0.000 2.607 148 S HA 0.285 4.755 4.470 -0.000 0.000 0.224 148 S C 0.463 175.056 174.600 -0.012 0.000 0.969 148 S CA -0.262 57.935 58.200 -0.005 0.000 0.927 148 S CB -0.745 62.436 63.200 -0.031 0.000 0.772 148 S HN 0.580 nan 8.310 nan 0.000 0.533 149 I N 1.006 121.570 120.570 -0.010 0.000 2.406 149 I HA 0.602 4.772 4.170 -0.000 0.000 0.290 149 I C 1.032 177.147 176.117 -0.004 0.000 0.999 149 I CA -0.150 61.139 61.300 -0.017 0.000 1.124 149 I CB 1.676 39.666 38.000 -0.016 0.000 1.289 149 I HN 0.317 nan 8.210 nan 0.000 0.441 150 G N 3.478 112.273 108.800 -0.009 0.000 2.421 150 G HA2 -0.081 3.879 3.960 -0.000 0.000 0.188 150 G HA3 -0.081 3.879 3.960 -0.000 0.000 0.188 150 G C 0.928 175.838 174.900 0.017 0.000 1.001 150 G CA -0.184 44.915 45.100 -0.003 0.000 0.693 150 G HN 1.317 nan 8.290 nan 0.000 0.479 151 G N -0.117 108.713 108.800 0.051 0.000 2.179 151 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.260 151 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.260 151 G C 0.308 175.284 174.900 0.126 0.000 0.977 151 G CA 1.033 46.198 45.100 0.109 0.000 0.641 151 G HN 0.918 nan 8.290 nan 0.000 0.533 152 K N 1.388 121.831 120.400 0.070 0.000 2.363 152 K HA 0.427 4.747 4.320 -0.000 0.000 0.289 152 K C -0.023 176.596 176.600 0.032 0.000 1.063 152 K CA 0.451 56.759 56.287 0.034 0.000 0.967 152 K CB 0.905 33.406 32.500 0.001 0.000 0.987 152 K HN 0.138 nan 8.250 nan 0.000 0.473 153 T N 1.006 115.562 114.554 0.004 0.000 2.916 153 T HA 0.807 5.157 4.350 -0.000 0.000 0.292 153 T C -1.464 173.101 174.700 -0.224 0.000 1.055 153 T CA -0.293 61.789 62.100 -0.029 0.000 1.009 153 T CB 1.489 70.400 68.868 0.072 0.000 1.118 153 T HN 0.736 nan 8.240 nan 0.000 0.497 154 A N 1.519 124.188 122.820 -0.252 0.000 2.395 154 A HA 0.568 4.888 4.320 -0.000 0.000 0.296 154 A C -2.157 175.322 177.584 -0.175 0.000 0.983 154 A CA -0.571 51.192 52.037 -0.457 0.000 0.581 154 A CB -0.137 18.648 19.000 -0.358 0.000 1.426 154 A HN 1.177 nan 8.150 nan 0.000 0.503 155 I N -2.106 118.373 120.570 -0.151 0.000 3.174 155 I HA 0.826 4.996 4.170 -0.000 0.000 0.313 155 I C -0.848 175.241 176.117 -0.047 0.000 1.155 155 I CA -0.752 60.538 61.300 -0.015 0.000 0.977 155 I CB 1.553 39.619 38.000 0.109 0.000 1.248 155 I HN 0.493 nan 8.210 nan 0.000 0.453 156 D N 0.954 121.338 120.400 -0.025 0.000 2.437 156 D HA 0.617 5.257 4.640 -0.000 0.000 0.259 156 D C -0.590 175.701 176.300 -0.015 0.000 1.118 156 D CA -0.189 53.791 54.000 -0.032 0.000 1.017 156 D CB 1.628 42.409 40.800 -0.032 0.000 1.120 156 D HN 0.701 nan 8.370 nan 0.000 0.541 157 T N -0.112 114.431 114.554 -0.018 0.000 2.900 157 T HA 0.304 4.654 4.350 -0.000 0.000 0.303 157 T C -2.024 172.670 174.700 -0.010 0.000 1.142 157 T CA -1.116 60.979 62.100 -0.009 0.000 1.007 157 T CB 2.168 71.030 68.868 -0.010 0.000 1.156 157 T HN -0.021 nan 8.240 nan 0.000 0.490 158 P HA 0.036 nan 4.420 nan 0.000 0.220 158 P C 1.030 178.328 177.300 -0.005 0.000 1.144 158 P CA 0.914 64.012 63.100 -0.004 0.000 0.800 158 P CB 0.119 31.819 31.700 -0.001 0.000 0.772 159 L N -2.864 118.356 121.223 -0.006 0.000 2.591 159 L HA 0.306 4.646 4.340 -0.000 0.000 0.228 159 L C 1.098 177.961 176.870 -0.012 0.000 1.133 159 L CA -0.002 54.834 54.840 -0.005 0.000 0.880 159 L CB -0.340 41.716 42.059 -0.004 0.000 1.033 159 L HN 0.042 nan 8.230 nan 0.000 0.450 160 G N -0.898 107.890 108.800 -0.019 0.000 2.328 160 G HA2 0.131 4.091 3.960 -0.000 0.000 0.299 160 G HA3 0.131 4.091 3.960 -0.000 0.000 0.299 160 G C -1.640 173.234 174.900 -0.043 0.000 1.435 160 G CA -0.909 44.172 45.100 -0.031 0.000 0.865 160 G HN -0.289 nan 8.290 nan 0.000 0.601 161 K N 1.121 121.486 120.400 -0.059 0.000 2.118 161 K HA 0.378 4.698 4.320 -0.000 0.000 0.267 161 K C 0.446 176.994 176.600 -0.086 0.000 0.991 161 K CA -0.717 55.526 56.287 -0.073 0.000 0.916 161 K CB 0.742 33.187 32.500 -0.091 0.000 1.041 161 K HN 0.624 nan 8.250 nan 0.000 0.455 162 N N 1.723 120.366 118.700 -0.096 0.000 2.707 162 N HA -0.216 4.524 4.740 -0.000 0.000 0.253 162 N C 0.556 175.990 175.510 -0.127 0.000 0.998 162 N CA 0.441 53.417 53.050 -0.123 0.000 0.751 162 N CB -1.097 37.317 38.487 -0.122 0.000 0.920 162 N HN 0.500 nan 8.380 nan 0.000 0.539 163 L N -1.016 120.143 121.223 -0.107 0.000 2.249 163 L HA 0.105 4.445 4.340 -0.000 0.000 0.207 163 L C 0.737 177.537 176.870 -0.117 0.000 1.090 163 L CA 0.801 55.586 54.840 -0.091 0.000 0.802 163 L CB 0.083 42.107 42.059 -0.057 0.000 0.947 163 L HN 0.142 nan 8.230 nan 0.000 0.453 164 I N 0.503 120.979 120.570 -0.157 0.000 2.382 164 I HA 0.573 4.743 4.170 -0.000 0.000 0.285 164 I C 0.347 176.074 176.117 -0.651 0.000 1.007 164 I CA -0.052 61.127 61.300 -0.201 0.000 1.142 164 I CB 0.539 38.537 38.000 -0.004 0.000 1.289 164 I HN 0.021 nan 8.210 nan 0.000 0.453 165 G N 4.059 112.382 108.800 -0.796 0.000 2.578 165 G HA2 0.865 4.825 3.960 -0.000 0.000 0.302 165 G HA3 0.865 4.825 3.960 -0.000 0.000 0.302 165 G C -1.956 172.570 174.900 -0.624 0.000 1.243 165 G CA 0.077 44.319 45.100 -1.430 0.000 0.843 165 G HN 0.787 nan 8.290 nan 0.000 0.486 166 A N -1.396 121.217 122.820 -0.344 0.000 2.601 166 A HA 0.661 4.981 4.320 -0.000 0.000 0.291 166 A C -2.020 175.608 177.584 0.074 0.000 1.075 166 A CA -0.521 51.500 52.037 -0.026 0.000 0.671 166 A CB 1.134 20.206 19.000 0.120 0.000 1.277 166 A HN 0.910 nan 8.150 nan 0.000 0.417 167 I N 1.534 122.189 120.570 0.142 0.000 2.301 167 I HA 0.342 4.512 4.170 -0.000 0.000 0.292 167 I C -0.618 175.718 176.117 0.364 0.000 1.046 167 I CA -0.023 61.383 61.300 0.177 0.000 1.282 167 I CB 0.338 38.407 38.000 0.114 0.000 1.409 167 I HN 0.547 nan 8.210 nan 0.000 0.484 168 W N 7.442 128.796 121.300 0.090 0.000 2.631 168 W HA 0.319 4.979 4.660 0.000 0.000 0.321 168 W C -0.871 175.803 176.519 0.258 0.000 1.004 168 W CA -0.868 56.567 57.345 0.149 0.000 1.291 168 W CB 1.564 31.093 29.460 0.115 0.000 1.300 168 W HN 0.351 nan 8.180 nan 0.000 0.422 169 Q N 5.665 125.378 119.800 -0.145 0.000 2.332 169 Q HA 0.217 4.557 4.340 -0.000 0.000 0.263 169 Q C -1.959 173.882 176.000 -0.266 0.000 0.979 169 Q CA -1.524 54.186 55.803 -0.154 0.000 0.885 169 Q CB 0.797 29.406 28.738 -0.215 0.000 1.218 169 Q HN 0.251 nan 8.270 nan 0.000 0.405 170 P HA 0.150 nan 4.420 nan 0.000 0.282 170 P C 0.064 177.096 177.300 -0.447 0.000 1.249 170 P CA -0.258 62.344 63.100 -0.830 0.000 0.806 170 P CB 0.987 32.150 31.700 -0.894 0.000 0.984 171 T N 0.895 115.227 114.554 -0.369 0.000 2.821 171 T HA -0.038 4.312 4.350 -0.000 0.000 0.267 171 T C 0.699 175.271 174.700 -0.215 0.000 1.046 171 T CA 1.413 63.385 62.100 -0.213 0.000 1.139 171 T CB -0.109 68.696 68.868 -0.106 0.000 0.871 171 T HN 0.447 nan 8.240 nan 0.000 0.454 172 K N -0.182 120.049 120.400 -0.282 0.000 2.536 172 K HA 0.583 4.903 4.320 -0.000 0.000 0.269 172 K C -1.606 174.740 176.600 -0.423 0.000 0.965 172 K CA -0.663 55.401 56.287 -0.373 0.000 0.860 172 K CB 2.522 34.716 32.500 -0.511 0.000 1.423 172 K HN -0.031 nan 8.250 nan 0.000 0.438 173 I N 2.656 122.972 120.570 -0.424 0.000 2.476 173 I HA 0.250 4.420 4.170 -0.000 0.000 0.281 173 I C -1.307 174.660 176.117 -0.251 0.000 1.040 173 I CA -0.753 60.384 61.300 -0.272 0.000 1.094 173 I CB 0.822 38.724 38.000 -0.163 0.000 1.219 173 I HN 0.435 nan 8.210 nan 0.000 0.450 174 Y N 6.487 126.814 120.300 0.045 0.000 2.383 174 Y HA 0.433 4.983 4.550 -0.000 0.000 0.344 174 Y C 0.381 176.319 175.900 0.062 0.000 0.986 174 Y CA -0.526 57.623 58.100 0.083 0.000 1.175 174 Y CB 0.744 39.316 38.460 0.187 0.000 1.152 174 Y HN 0.380 nan 8.280 nan 0.000 0.511 175 I N 4.030 124.686 120.570 0.142 0.000 2.347 175 I HA 0.123 4.293 4.170 -0.000 0.000 0.283 175 I C -0.383 175.750 176.117 0.026 0.000 1.058 175 I CA -0.395 60.944 61.300 0.064 0.000 1.202 175 I CB 0.605 38.591 38.000 -0.024 0.000 1.386 175 I HN 0.525 nan 8.210 nan 0.000 0.475 176 D N 6.912 127.380 120.400 0.113 0.000 2.396 176 D HA 0.208 4.848 4.640 -0.000 0.000 0.225 176 D C 1.003 177.192 176.300 -0.184 0.000 1.121 176 D CA -0.258 53.698 54.000 -0.074 0.000 0.853 176 D CB 1.328 42.024 40.800 -0.174 0.000 1.043 176 D HN 0.439 nan 8.370 nan 0.000 0.500 177 L N 2.797 123.728 121.223 -0.487 0.000 2.353 177 L HA -0.113 4.227 4.340 -0.000 0.000 0.220 177 L C 1.949 178.618 176.870 -0.335 0.000 1.133 177 L CA 0.810 55.264 54.840 -0.643 0.000 0.798 177 L CB -0.090 41.048 42.059 -1.535 0.000 0.922 177 L HN 0.446 nan 8.230 nan 0.000 0.445 178 E N -0.375 119.689 120.200 -0.227 0.000 2.268 178 E HA -0.180 4.170 4.350 -0.000 0.000 0.195 178 E C 1.972 178.617 176.600 0.075 0.000 0.995 178 E CA 0.756 57.205 56.400 0.082 0.000 0.836 178 E CB -0.025 29.716 29.700 0.069 0.000 0.763 178 E HN 0.404 nan 8.360 nan 0.000 0.491 179 F N 0.683 120.627 119.950 -0.010 0.000 2.216 179 F HA -0.141 4.386 4.527 0.000 0.000 0.300 179 F C 1.908 177.788 175.800 0.133 0.000 1.085 179 F CA 0.864 58.818 58.000 -0.078 0.000 1.326 179 F CB -0.279 38.563 39.000 -0.264 0.000 1.027 179 F HN 0.011 nan 8.300 nan 0.000 0.497 180 L N -0.288 121.144 121.223 0.348 0.000 2.633 180 L HA -0.125 4.215 4.340 -0.000 0.000 0.235 180 L C 1.799 178.980 176.870 0.520 0.000 1.163 180 L CA 0.735 55.838 54.840 0.438 0.000 0.859 180 L CB -0.635 41.696 42.059 0.452 0.000 0.973 180 L HN 0.246 nan 8.230 nan 0.000 0.451 181 E N -0.222 120.253 120.200 0.458 0.000 2.216 181 E HA -0.112 4.238 4.350 -0.000 0.000 0.192 181 E C 1.775 178.538 176.600 0.272 0.000 0.988 181 E CA 1.589 58.217 56.400 0.381 0.000 0.834 181 E CB 0.149 30.078 29.700 0.381 0.000 0.772 181 E HN 0.517 nan 8.360 nan 0.000 0.479 182 T N -1.253 113.490 114.554 0.315 0.000 3.044 182 T HA 0.164 4.514 4.350 -0.000 0.000 0.260 182 T C 0.463 175.297 174.700 0.224 0.000 1.019 182 T CA -0.476 61.766 62.100 0.235 0.000 0.921 182 T CB 0.022 69.027 68.868 0.229 0.000 1.053 182 T HN -0.097 nan 8.240 nan 0.000 0.533 183 L N 3.518 124.903 121.223 0.270 0.000 2.462 183 L HA 0.404 4.744 4.340 -0.000 0.000 0.272 183 L C -2.508 174.484 176.870 0.203 0.000 1.166 183 L CA -1.791 53.191 54.840 0.236 0.000 0.880 183 L CB 0.128 42.356 42.059 0.281 0.000 1.142 183 L HN -0.079 nan 8.230 nan 0.000 0.473 184 P HA -0.042 nan 4.420 nan 0.000 0.264 184 P C 0.986 178.379 177.300 0.154 0.000 1.183 184 P CA -0.142 63.031 63.100 0.121 0.000 0.763 184 P CB 0.592 32.347 31.700 0.091 0.000 0.807 185 V N 3.978 123.963 119.914 0.118 0.000 2.313 185 V HA -0.308 3.812 4.120 -0.000 0.000 0.253 185 V C 2.436 178.631 176.094 0.167 0.000 1.070 185 V CA 2.225 64.599 62.300 0.123 0.000 1.057 185 V CB -0.859 30.997 31.823 0.055 0.000 0.653 185 V HN 0.653 nan 8.190 nan 0.000 0.450 186 R N -0.435 120.139 120.500 0.124 0.000 2.092 186 R HA -0.152 4.188 4.340 -0.000 0.000 0.231 186 R C 2.331 178.709 176.300 0.130 0.000 1.119 186 R CA 1.434 57.602 56.100 0.114 0.000 0.970 186 R CB -0.114 30.232 30.300 0.076 0.000 0.864 186 R HN 0.517 nan 8.270 nan 0.000 0.440 187 E N 0.104 120.384 120.200 0.133 0.000 2.072 187 E HA -0.201 4.149 4.350 -0.000 0.000 0.191 187 E C 1.679 178.361 176.600 0.137 0.000 0.985 187 E CA 0.948 57.415 56.400 0.112 0.000 0.801 187 E CB -0.426 29.333 29.700 0.098 0.000 0.750 187 E HN 0.296 nan 8.360 nan 0.000 0.452 188 F N 1.985 121.983 119.950 0.080 0.000 2.069 188 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 188 F C 2.123 177.977 175.800 0.089 0.000 1.113 188 F CA 1.166 59.225 58.000 0.098 0.000 1.214 188 F CB -0.203 38.884 39.000 0.144 0.000 0.978 188 F HN -0.091 nan 8.300 nan 0.000 0.474 189 I N 0.699 121.530 120.570 0.435 0.000 2.208 189 I HA -0.345 3.825 4.170 -0.000 0.000 0.245 189 I C 2.221 178.412 176.117 0.122 0.000 1.097 189 I CA 1.795 63.281 61.300 0.310 0.000 1.363 189 I CB -1.932 36.204 38.000 0.228 0.000 1.051 189 I HN 0.292 nan 8.210 nan 0.000 0.413 190 N N 1.401 120.151 118.700 0.083 0.000 2.061 190 N HA -0.162 4.578 4.740 -0.000 0.000 0.193 190 N C 1.994 177.494 175.510 -0.018 0.000 1.030 190 N CA 2.037 55.105 53.050 0.031 0.000 0.856 190 N CB -0.537 37.976 38.487 0.043 0.000 1.023 190 N HN 0.340 nan 8.380 nan 0.000 0.424 191 G N -0.163 108.593 108.800 -0.072 0.000 2.448 191 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.219 191 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.219 191 G C 1.348 176.145 174.900 -0.172 0.000 1.127 191 G CA 0.586 45.605 45.100 -0.135 0.000 0.766 191 G HN 0.235 nan 8.290 nan 0.000 0.552 192 M N 1.185 120.670 119.600 -0.192 0.000 2.358 192 M HA 0.043 4.523 4.480 -0.000 0.000 0.264 192 M C 2.857 179.057 176.300 -0.166 0.000 1.064 192 M CA 0.815 55.984 55.300 -0.218 0.000 1.093 192 M CB -1.001 31.501 32.600 -0.164 0.000 1.401 192 M HN 0.338 nan 8.290 nan 0.000 0.440 193 A N -0.066 122.698 122.820 -0.093 0.000 1.933 193 A HA -0.143 4.177 4.320 -0.000 0.000 0.218 193 A C 2.094 179.655 177.584 -0.039 0.000 1.175 193 A CA 1.376 53.371 52.037 -0.071 0.000 0.628 193 A CB -0.331 18.617 19.000 -0.086 0.000 0.814 193 A HN 0.373 nan 8.150 nan 0.000 0.444 194 E N -0.212 119.974 120.200 -0.023 0.000 2.112 194 E HA -0.055 4.295 4.350 -0.000 0.000 0.190 194 E C 2.236 178.829 176.600 -0.012 0.000 0.979 194 E CA 1.105 57.522 56.400 0.029 0.000 0.814 194 E CB -0.579 29.148 29.700 0.044 0.000 0.762 194 E HN 0.397 nan 8.360 nan 0.000 0.460 195 V N 1.671 121.534 119.914 -0.085 0.000 2.295 195 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 195 V C 2.426 178.450 176.094 -0.117 0.000 1.049 195 V CA 1.497 63.723 62.300 -0.123 0.000 1.024 195 V CB -0.485 31.214 31.823 -0.207 0.000 0.648 195 V HN 0.189 nan 8.190 nan 0.000 0.447 196 I N -0.255 120.231 120.570 -0.141 0.000 2.315 196 I HA -0.222 3.948 4.170 -0.000 0.000 0.248 196 I C 2.595 178.779 176.117 0.111 0.000 1.117 196 I CA 1.557 62.798 61.300 -0.099 0.000 1.404 196 I CB -0.439 37.487 38.000 -0.123 0.000 1.071 196 I HN 0.290 nan 8.210 nan 0.000 0.419 197 K N 0.859 121.345 120.400 0.143 0.000 2.002 197 K HA -0.181 4.139 4.320 -0.000 0.000 0.209 197 K C 2.104 178.817 176.600 0.188 0.000 1.048 197 K CA 2.048 58.514 56.287 0.299 0.000 0.930 197 K CB -0.173 32.483 32.500 0.260 0.000 0.714 197 K HN 0.192 nan 8.250 nan 0.000 0.438 198 T N 1.076 115.661 114.554 0.052 0.000 2.635 198 T HA -0.195 4.155 4.350 -0.000 0.000 0.267 198 T C 1.888 176.494 174.700 -0.158 0.000 1.040 198 T CA 1.744 63.781 62.100 -0.105 0.000 1.156 198 T CB -0.411 68.392 68.868 -0.108 0.000 0.863 198 T HN 0.465 nan 8.240 nan 0.000 0.430 199 A N 1.495 124.287 122.820 -0.047 0.000 1.883 199 A HA 0.092 4.412 4.320 -0.000 0.000 0.217 199 A C 2.685 180.331 177.584 0.104 0.000 1.186 199 A CA 2.069 54.118 52.037 0.020 0.000 0.624 199 A CB -1.277 17.754 19.000 0.052 0.000 0.822 199 A HN 0.533 nan 8.150 nan 0.000 0.444 200 A N 0.362 123.314 122.820 0.220 0.000 1.986 200 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 200 A C 1.968 179.410 177.584 -0.237 0.000 1.171 200 A CA 1.754 53.834 52.037 0.071 0.000 0.640 200 A CB -0.810 18.280 19.000 0.150 0.000 0.811 200 A HN 1.096 nan 8.150 nan 0.000 0.451 201 I N -3.514 116.932 120.570 -0.206 0.000 3.956 201 I HA 0.191 4.361 4.170 -0.000 0.000 0.333 201 I C 1.394 177.414 176.117 -0.163 0.000 1.302 201 I CA 0.957 62.109 61.300 -0.247 0.000 1.122 201 I CB 0.353 38.242 38.000 -0.184 0.000 1.013 201 I HN 0.260 nan 8.210 nan 0.000 0.405 202 S N -0.534 115.067 115.700 -0.166 0.000 2.930 202 S HA 0.223 4.693 4.470 -0.000 0.000 0.253 202 S C 0.723 175.293 174.600 -0.051 0.000 1.083 202 S CA 0.055 58.193 58.200 -0.103 0.000 0.836 202 S CB 0.363 63.407 63.200 -0.260 0.000 0.814 202 S HN 0.296 nan 8.310 nan 0.000 0.467 203 S N 0.661 116.336 115.700 -0.042 0.000 2.677 203 S HA 0.420 4.890 4.470 -0.000 0.000 0.283 203 S C 0.146 174.766 174.600 0.033 0.000 1.159 203 S CA -0.476 57.720 58.200 -0.006 0.000 1.001 203 S CB 1.766 64.969 63.200 0.005 0.000 1.032 203 S HN 0.287 nan 8.310 nan 0.000 0.487 204 E N 3.149 123.355 120.200 0.010 0.000 2.150 204 E HA -0.113 4.237 4.350 -0.000 0.000 0.193 204 E C 0.939 177.592 176.600 0.088 0.000 0.985 204 E CA 1.394 57.810 56.400 0.026 0.000 0.814 204 E CB 0.171 29.855 29.700 -0.027 0.000 0.752 204 E HN 0.769 nan 8.360 nan 0.000 0.466 205 E N 0.719 120.952 120.200 0.056 0.000 2.051 205 E HA -0.190 4.160 4.350 -0.000 0.000 0.192 205 E C 1.901 178.548 176.600 0.078 0.000 0.991 205 E CA 1.446 57.881 56.400 0.059 0.000 0.799 205 E CB -0.226 29.493 29.700 0.032 0.000 0.748 205 E HN 0.135 nan 8.360 nan 0.000 0.449 206 E N -0.106 120.135 120.200 0.069 0.000 2.085 206 E HA -0.183 4.167 4.350 -0.000 0.000 0.194 206 E C 1.703 178.350 176.600 0.079 0.000 0.994 206 E CA 0.938 57.371 56.400 0.055 0.000 0.801 206 E CB -0.401 29.317 29.700 0.030 0.000 0.743 206 E HN 0.281 nan 8.360 nan 0.000 0.453 207 F N 0.616 120.560 119.950 -0.009 0.000 2.134 207 F HA -0.190 4.337 4.527 -0.000 0.000 0.299 207 F C 2.198 178.020 175.800 0.036 0.000 1.097 207 F CA 2.012 60.016 58.000 0.006 0.000 1.264 207 F CB -0.648 38.347 39.000 -0.008 0.000 1.001 207 F HN 0.011 nan 8.300 nan 0.000 0.479 208 T N 0.283 115.008 114.554 0.285 0.000 2.788 208 T HA -0.151 4.199 4.350 -0.000 0.000 0.268 208 T C 2.189 176.945 174.700 0.093 0.000 1.044 208 T CA 1.249 63.466 62.100 0.196 0.000 1.139 208 T CB -0.734 68.222 68.868 0.146 0.000 0.867 208 T HN 0.355 nan 8.240 nan 0.000 0.454 209 A N 0.970 123.830 122.820 0.067 0.000 1.972 209 A HA 0.045 4.365 4.320 -0.000 0.000 0.219 209 A C 2.254 179.867 177.584 0.048 0.000 1.169 209 A CA 1.071 53.138 52.037 0.050 0.000 0.635 209 A CB -0.719 18.306 19.000 0.041 0.000 0.810 209 A HN 0.477 nan 8.150 nan 0.000 0.446 210 L N -0.918 120.304 121.223 -0.002 0.000 2.109 210 L HA -0.162 4.178 4.340 -0.000 0.000 0.207 210 L C 2.570 179.517 176.870 0.128 0.000 1.086 210 L CA 1.384 56.240 54.840 0.027 0.000 0.760 210 L CB -0.489 41.438 42.059 -0.220 0.000 0.910 210 L HN 0.458 nan 8.230 nan 0.000 0.437 211 E N 0.146 120.352 120.200 0.011 0.000 2.051 211 E HA -0.247 4.103 4.350 -0.000 0.000 0.192 211 E C 2.001 178.628 176.600 0.044 0.000 0.991 211 E CA 1.404 57.833 56.400 0.048 0.000 0.799 211 E CB -0.040 29.716 29.700 0.093 0.000 0.748 211 E HN 0.528 nan 8.360 nan 0.000 0.449 212 E N 0.336 120.566 120.200 0.051 0.000 2.208 212 E HA -0.075 4.275 4.350 -0.000 0.000 0.193 212 E C 1.396 178.013 176.600 0.028 0.000 0.988 212 E CA 0.567 56.989 56.400 0.036 0.000 0.828 212 E CB -0.041 29.684 29.700 0.042 0.000 0.763 212 E HN 0.281 nan 8.360 nan 0.000 0.478 213 N N 0.321 119.055 118.700 0.058 0.000 2.422 213 N HA 0.044 4.784 4.740 -0.000 0.000 0.181 213 N C 1.701 177.208 175.510 -0.005 0.000 1.080 213 N CA 0.259 53.352 53.050 0.071 0.000 0.893 213 N CB 0.165 38.739 38.487 0.145 0.000 0.973 213 N HN 0.056 nan 8.380 nan 0.000 0.456 214 A N 1.952 124.687 122.820 -0.143 0.000 1.881 214 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 214 A C 2.155 179.515 177.584 -0.373 0.000 1.215 214 A CA 1.619 53.305 52.037 -0.585 0.000 0.648 214 A CB -0.580 18.118 19.000 -0.504 0.000 0.832 214 A HN 0.260 nan 8.150 nan 0.000 0.455 215 E N -0.746 119.342 120.200 -0.187 0.000 2.051 215 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 215 E C 2.222 178.772 176.600 -0.083 0.000 0.991 215 E CA 1.905 58.232 56.400 -0.122 0.000 0.799 215 E CB -0.539 29.117 29.700 -0.072 0.000 0.748 215 E HN 0.599 nan 8.360 nan 0.000 0.449 216 T N 1.863 116.391 114.554 -0.043 0.000 2.652 216 T HA -0.152 4.198 4.350 -0.000 0.000 0.267 216 T C 2.152 176.870 174.700 0.030 0.000 1.039 216 T CA 1.676 63.777 62.100 0.001 0.000 1.153 216 T CB -0.320 68.570 68.868 0.036 0.000 0.863 216 T HN 0.164 nan 8.240 nan 0.000 0.428 217 I N 0.589 121.201 120.570 0.070 0.000 2.099 217 I HA -0.173 3.997 4.170 -0.000 0.000 0.239 217 I C 2.500 178.645 176.117 0.048 0.000 1.066 217 I CA 1.294 62.700 61.300 0.176 0.000 1.324 217 I CB -0.428 37.763 38.000 0.318 0.000 1.037 217 I HN 0.190 nan 8.210 nan 0.000 0.401 218 L N 0.671 121.868 121.223 -0.043 0.000 2.043 218 L HA -0.302 4.038 4.340 -0.000 0.000 0.212 218 L C 2.699 179.505 176.870 -0.107 0.000 1.075 218 L CA 1.706 56.495 54.840 -0.085 0.000 0.752 218 L CB -0.425 41.567 42.059 -0.110 0.000 0.891 218 L HN 0.280 nan 8.230 nan 0.000 0.432 219 K N -0.333 120.013 120.400 -0.091 0.000 2.032 219 K HA -0.219 4.101 4.320 -0.000 0.000 0.209 219 K C 2.018 178.531 176.600 -0.145 0.000 1.048 219 K CA 1.466 57.695 56.287 -0.096 0.000 0.927 219 K CB -0.104 32.353 32.500 -0.070 0.000 0.712 219 K HN 0.348 nan 8.250 nan 0.000 0.441 220 A N 0.498 123.213 122.820 -0.175 0.000 1.933 220 A HA -0.108 4.212 4.320 -0.000 0.000 0.218 220 A C 2.217 179.514 177.584 -0.478 0.000 1.175 220 A CA 1.599 53.423 52.037 -0.356 0.000 0.628 220 A CB -0.540 18.208 19.000 -0.421 0.000 0.814 220 A HN 0.183 nan 8.150 nan 0.000 0.444 221 V N -0.167 119.518 119.914 -0.381 0.000 2.307 221 V HA -0.219 3.901 4.120 -0.000 0.000 0.245 221 V C 2.557 178.516 176.094 -0.225 0.000 1.045 221 V CA 2.222 64.293 62.300 -0.381 0.000 1.024 221 V CB -0.713 30.845 31.823 -0.442 0.000 0.651 221 V HN 0.533 nan 8.190 nan 0.000 0.449 222 R N 0.022 120.426 120.500 -0.161 0.000 2.246 222 R HA 0.066 4.406 4.340 -0.000 0.000 0.199 222 R C 1.197 177.439 176.300 -0.095 0.000 0.984 222 R CA -0.125 55.915 56.100 -0.101 0.000 1.015 222 R CB -0.103 30.154 30.300 -0.071 0.000 0.930 222 R HN 0.616 nan 8.270 nan 0.000 0.475 223 R N 1.809 122.236 120.500 -0.122 0.000 2.738 223 R HA 0.041 4.381 4.340 -0.000 0.000 0.268 223 R C -0.810 175.435 176.300 -0.093 0.000 1.062 223 R CA 0.019 56.058 56.100 -0.102 0.000 1.158 223 R CB 0.351 30.582 30.300 -0.115 0.000 1.046 223 R HN -0.036 nan 8.270 nan 0.000 0.493 224 E N 1.484 121.642 120.200 -0.070 0.000 2.052 224 E HA 0.156 4.506 4.350 -0.000 0.000 0.283 224 E C -0.791 175.773 176.600 -0.062 0.000 1.071 224 E CA -0.556 55.810 56.400 -0.057 0.000 0.851 224 E CB 1.566 31.241 29.700 -0.042 0.000 1.066 224 E HN 0.278 nan 8.360 nan 0.000 0.396 225 V N 3.334 123.208 119.914 -0.066 0.000 2.567 225 V HA 0.186 4.306 4.120 -0.000 0.000 0.289 225 V C 0.389 176.455 176.094 -0.047 0.000 1.049 225 V CA -0.512 61.749 62.300 -0.064 0.000 0.969 225 V CB 1.786 33.565 31.823 -0.074 0.000 0.995 225 V HN 0.637 nan 8.190 nan 0.000 0.471 226 T N 6.306 120.833 114.554 -0.046 0.000 2.799 226 T HA 0.336 4.686 4.350 -0.000 0.000 0.286 226 T C -2.551 172.121 174.700 -0.047 0.000 0.973 226 T CA -1.233 60.843 62.100 -0.040 0.000 1.035 226 T CB 1.355 70.201 68.868 -0.037 0.000 0.932 226 T HN 0.451 nan 8.240 nan 0.000 0.469 227 P HA 0.150 nan 4.420 nan 0.000 0.253 227 P C 0.945 178.211 177.300 -0.058 0.000 1.170 227 P CA 1.113 64.187 63.100 -0.044 0.000 0.806 227 P CB -0.178 31.503 31.700 -0.032 0.000 0.775 228 G N 2.575 111.319 108.800 -0.093 0.000 2.705 228 G HA2 -0.116 3.844 3.960 -0.000 0.000 0.193 228 G HA3 -0.116 3.844 3.960 -0.000 0.000 0.193 228 G C -0.194 174.601 174.900 -0.175 0.000 1.015 228 G CA -0.381 44.651 45.100 -0.113 0.000 0.743 228 G HN 0.574 nan 8.290 nan 0.000 0.476 229 E N 1.309 121.419 120.200 -0.149 0.000 2.204 229 E HA 0.603 4.953 4.350 -0.000 0.000 0.276 229 E C -0.983 175.514 176.600 -0.171 0.000 0.974 229 E CA -0.999 55.319 56.400 -0.137 0.000 0.815 229 E CB 1.225 30.887 29.700 -0.064 0.000 1.119 229 E HN 0.301 nan 8.360 nan 0.000 0.393 230 H N 2.407 121.483 119.070 0.011 0.000 2.690 230 H HA 0.052 4.608 4.556 -0.000 0.000 0.314 230 H C 0.986 176.308 175.328 -0.010 0.000 1.069 230 H CA 0.005 56.072 56.048 0.033 0.000 1.436 230 H CB 1.465 31.252 29.762 0.042 0.000 1.462 230 H HN 0.704 nan 8.280 nan 0.000 0.511 231 R N 2.762 123.320 120.500 0.096 0.000 2.117 231 R HA -0.148 4.192 4.340 -0.000 0.000 0.243 231 R C 0.329 176.442 176.300 -0.312 0.000 1.143 231 R CA 1.628 57.638 56.100 -0.150 0.000 0.968 231 R CB 0.078 30.237 30.300 -0.235 0.000 0.863 231 R HN 0.358 nan 8.270 nan 0.000 0.444 232 F N 1.289 121.286 119.950 0.078 0.000 2.639 232 F HA 0.268 4.795 4.527 -0.000 0.000 0.300 232 F C -0.087 175.660 175.800 -0.089 0.000 1.109 232 F CA -0.393 57.614 58.000 0.011 0.000 1.335 232 F CB 0.329 39.378 39.000 0.081 0.000 1.014 232 F HN -0.102 nan 8.300 nan 0.000 0.537 233 E N 0.260 120.491 120.200 0.052 0.000 2.465 233 E HA 0.276 4.626 4.350 -0.000 0.000 0.260 233 E C 1.277 177.876 176.600 -0.002 0.000 0.980 233 E CA 0.904 57.297 56.400 -0.011 0.000 0.927 233 E CB 0.403 30.113 29.700 0.018 0.000 0.934 233 E HN 0.480 nan 8.360 nan 0.000 0.459 234 G N 2.892 111.679 108.800 -0.022 0.000 2.234 234 G HA2 -0.288 3.672 3.960 -0.000 0.000 0.235 234 G HA3 -0.288 3.672 3.960 -0.000 0.000 0.235 234 G C 0.856 175.767 174.900 0.020 0.000 0.997 234 G CA 0.403 45.502 45.100 -0.003 0.000 0.623 234 G HN 0.573 nan 8.290 nan 0.000 0.514 235 T N 0.143 114.728 114.554 0.053 0.000 3.460 235 T HA 0.430 4.780 4.350 -0.000 0.000 0.304 235 T C 1.487 176.241 174.700 0.090 0.000 0.991 235 T CA 1.091 63.248 62.100 0.097 0.000 0.975 235 T CB 0.100 69.072 68.868 0.173 0.000 1.196 235 T HN 0.294 nan 8.240 nan 0.000 0.490 236 E N 0.894 121.077 120.200 -0.027 0.000 2.110 236 E HA -0.076 4.274 4.350 -0.000 0.000 0.193 236 E C 2.037 178.682 176.600 0.076 0.000 0.988 236 E CA 1.052 57.374 56.400 -0.129 0.000 0.804 236 E CB 0.063 29.461 29.700 -0.503 0.000 0.745 236 E HN 0.419 nan 8.360 nan 0.000 0.458 237 E N 0.211 120.439 120.200 0.045 0.000 2.107 237 E HA -0.103 4.247 4.350 -0.000 0.000 0.191 237 E C 2.068 178.712 176.600 0.073 0.000 0.982 237 E CA 0.592 57.033 56.400 0.068 0.000 0.809 237 E CB -0.120 29.603 29.700 0.039 0.000 0.756 237 E HN 0.273 nan 8.360 nan 0.000 0.459 238 I N 0.889 121.503 120.570 0.072 0.000 2.142 238 I HA -0.243 3.927 4.170 -0.000 0.000 0.240 238 I C 2.425 178.589 176.117 0.079 0.000 1.078 238 I CA 0.727 62.073 61.300 0.077 0.000 1.343 238 I CB -0.699 37.356 38.000 0.091 0.000 1.046 238 I HN 0.068 nan 8.210 nan 0.000 0.405 239 L N 0.610 121.884 121.223 0.084 0.000 2.046 239 L HA -0.221 4.119 4.340 -0.000 0.000 0.208 239 L C 2.487 179.371 176.870 0.024 0.000 1.077 239 L CA 1.910 56.770 54.840 0.033 0.000 0.747 239 L CB -0.723 41.277 42.059 -0.098 0.000 0.896 239 L HN 0.211 nan 8.230 nan 0.000 0.432 240 K N -0.958 119.492 120.400 0.084 0.000 2.026 240 K HA -0.159 4.161 4.320 -0.000 0.000 0.208 240 K C 1.995 178.603 176.600 0.014 0.000 1.048 240 K CA 1.341 57.653 56.287 0.043 0.000 0.929 240 K CB -0.240 32.334 32.500 0.124 0.000 0.713 240 K HN 0.410 nan 8.250 nan 0.000 0.439 241 A N 1.048 123.887 122.820 0.031 0.000 1.933 241 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 241 A C 2.105 179.693 177.584 0.007 0.000 1.175 241 A CA 1.413 53.461 52.037 0.019 0.000 0.628 241 A CB -0.408 18.609 19.000 0.028 0.000 0.814 241 A HN 0.219 nan 8.150 nan 0.000 0.444 242 R N -0.095 120.411 120.500 0.010 0.000 2.062 242 R HA 0.053 4.393 4.340 -0.000 0.000 0.231 242 R C 1.958 178.234 176.300 -0.040 0.000 1.136 242 R CA 1.666 57.761 56.100 -0.008 0.000 0.948 242 R CB -0.624 29.686 30.300 0.016 0.000 0.845 242 R HN 0.622 nan 8.270 nan 0.000 0.430 243 I N -0.117 120.423 120.570 -0.051 0.000 2.202 243 I HA -0.236 3.934 4.170 -0.000 0.000 0.242 243 I C 1.593 177.673 176.117 -0.061 0.000 1.091 243 I CA 0.801 62.053 61.300 -0.081 0.000 1.368 243 I CB -0.247 37.687 38.000 -0.110 0.000 1.058 243 I HN 0.087 nan 8.210 nan 0.000 0.410 244 L N 0.857 122.051 121.223 -0.048 0.000 2.131 244 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 244 L C 2.652 179.515 176.870 -0.012 0.000 1.092 244 L CA 1.814 56.634 54.840 -0.033 0.000 0.759 244 L CB -1.169 40.873 42.059 -0.029 0.000 0.903 244 L HN 0.188 nan 8.230 nan 0.000 0.435 245 A N -1.695 121.120 122.820 -0.010 0.000 1.858 245 A HA -0.256 4.064 4.320 -0.000 0.000 0.216 245 A C 2.590 180.188 177.584 0.023 0.000 1.190 245 A CA 2.067 54.108 52.037 0.006 0.000 0.617 245 A CB -1.029 17.969 19.000 -0.003 0.000 0.827 245 A HN 0.396 nan 8.150 nan 0.000 0.443 246 S N -0.489 115.208 115.700 -0.004 0.000 2.351 246 S HA -0.122 4.348 4.470 -0.000 0.000 0.220 246 S C 2.248 176.877 174.600 0.048 0.000 1.035 246 S CA 1.941 60.144 58.200 0.004 0.000 1.031 246 S CB -0.631 62.547 63.200 -0.037 0.000 0.928 246 S HN 0.912 nan 8.310 nan 0.000 0.433 247 A N 1.834 124.663 122.820 0.016 0.000 1.892 247 A HA -0.186 4.134 4.320 -0.000 0.000 0.218 247 A C 2.235 179.845 177.584 0.043 0.000 1.188 247 A CA 2.023 54.071 52.037 0.017 0.000 0.631 247 A CB -0.896 18.095 19.000 -0.016 0.000 0.822 247 A HN 0.661 nan 8.150 nan 0.000 0.447 248 R N -1.577 118.949 120.500 0.044 0.000 2.120 248 R HA -0.204 4.136 4.340 -0.000 0.000 0.234 248 R C 2.241 178.599 176.300 0.095 0.000 1.123 248 R CA 1.651 57.782 56.100 0.051 0.000 0.975 248 R CB -0.454 29.865 30.300 0.032 0.000 0.866 248 R HN 0.790 nan 8.270 nan 0.000 0.446 249 H N 0.690 119.779 119.070 0.032 0.000 2.363 249 H HA -0.113 4.443 4.556 -0.000 0.000 0.301 249 H C 1.820 177.219 175.328 0.119 0.000 1.074 249 H CA 1.940 58.026 56.048 0.063 0.000 1.354 249 H CB 0.202 29.977 29.762 0.022 0.000 1.397 249 H HN 0.067 nan 8.280 nan 0.000 0.516 250 K N 0.943 121.478 120.400 0.224 0.000 2.057 250 K HA -0.046 4.274 4.320 -0.000 0.000 0.207 250 K C 2.301 178.936 176.600 0.058 0.000 1.049 250 K CA 1.487 57.861 56.287 0.146 0.000 0.931 250 K CB -0.512 32.047 32.500 0.098 0.000 0.714 250 K HN 0.246 nan 8.250 nan 0.000 0.440 251 A N -0.037 122.811 122.820 0.047 0.000 1.877 251 A HA -0.170 4.150 4.320 -0.000 0.000 0.216 251 A C 2.203 179.786 177.584 -0.001 0.000 1.186 251 A CA 1.679 53.722 52.037 0.011 0.000 0.620 251 A CB -1.118 17.888 19.000 0.011 0.000 0.822 251 A HN 0.583 nan 8.150 nan 0.000 0.443 252 Y N 0.982 121.217 120.300 -0.110 0.000 2.070 252 Y HA -0.251 4.299 4.550 0.000 0.000 0.280 252 Y C 2.291 178.103 175.900 -0.147 0.000 1.148 252 Y CA 2.396 60.409 58.100 -0.145 0.000 1.125 252 Y CB -0.653 37.675 38.460 -0.219 0.000 0.975 252 Y HN 0.056 nan 8.280 nan 0.000 0.492 253 V N -0.428 119.365 119.914 -0.202 0.000 2.332 253 V HA -0.331 3.789 4.120 -0.000 0.000 0.248 253 V C 2.418 178.386 176.094 -0.210 0.000 1.055 253 V CA 1.847 63.998 62.300 -0.248 0.000 1.038 253 V CB -1.122 30.683 31.823 -0.030 0.000 0.651 253 V HN 0.420 nan 8.190 nan 0.000 0.450 254 V N -0.047 119.793 119.914 -0.124 0.000 2.828 254 V HA -0.211 3.909 4.120 -0.000 0.000 0.260 254 V C 2.365 178.381 176.094 -0.131 0.000 1.101 254 V CA 2.188 64.431 62.300 -0.095 0.000 1.123 254 V CB -0.286 31.504 31.823 -0.056 0.000 0.704 254 V HN 0.583 nan 8.190 nan 0.000 0.493 255 S N -0.956 114.625 115.700 -0.198 0.000 2.456 255 S HA 0.182 4.652 4.470 -0.000 0.000 0.224 255 S C 1.963 176.419 174.600 -0.240 0.000 1.035 255 S CA 0.685 58.766 58.200 -0.199 0.000 0.940 255 S CB 0.147 63.231 63.200 -0.193 0.000 0.799 255 S HN 0.625 nan 8.310 nan 0.000 0.508 256 A N 1.674 124.276 122.820 -0.363 0.000 1.881 256 A HA 0.030 4.350 4.320 -0.000 0.000 0.208 256 A C 0.798 178.274 177.584 -0.180 0.000 1.264 256 A CA 0.898 52.742 52.037 -0.322 0.000 0.629 256 A CB -0.786 17.962 19.000 -0.420 0.000 0.906 256 A HN 0.412 nan 8.150 nan 0.000 0.476 262 G N 0.416 109.216 108.800 -0.000 0.000 3.038 262 G HA2 0.395 4.355 3.960 -0.000 0.000 0.168 262 G HA3 0.395 4.355 3.960 -0.000 0.000 0.168 262 G C 1.051 175.960 174.900 0.014 0.000 1.559 262 G CA 0.570 45.673 45.100 0.005 0.000 0.990 262 G HN 0.548 nan 8.290 nan 0.000 0.765 263 L N 1.545 122.773 121.223 0.008 0.000 2.189 263 L HA 0.053 4.393 4.340 -0.000 0.000 0.214 263 L C 2.774 179.666 176.870 0.037 0.000 1.097 263 L CA 1.938 56.794 54.840 0.027 0.000 0.764 263 L CB -0.470 41.591 42.059 0.004 0.000 0.900 263 L HN 0.340 nan 8.230 nan 0.000 0.436 264 R N -1.097 119.411 120.500 0.012 0.000 2.148 264 R HA -0.077 4.263 4.340 -0.000 0.000 0.223 264 R C 2.015 178.331 176.300 0.027 0.000 1.088 264 R CA 0.969 57.078 56.100 0.015 0.000 0.985 264 R CB -0.490 29.807 30.300 -0.006 0.000 0.880 264 R HN 0.430 nan 8.270 nan 0.000 0.451 265 N N 1.058 119.776 118.700 0.030 0.000 2.149 265 N HA -0.125 4.615 4.740 -0.000 0.000 0.188 265 N C 1.748 177.295 175.510 0.063 0.000 1.019 265 N CA 1.123 54.196 53.050 0.038 0.000 0.857 265 N CB -0.027 38.484 38.487 0.040 0.000 0.997 265 N HN 0.230 nan 8.380 nan 0.000 0.426 266 L N 0.738 122.009 121.223 0.079 0.000 2.127 266 L HA -0.128 4.212 4.340 -0.000 0.000 0.211 266 L C 2.120 179.068 176.870 0.129 0.000 1.089 266 L CA 0.675 55.580 54.840 0.108 0.000 0.757 266 L CB -0.464 41.659 42.059 0.107 0.000 0.899 266 L HN 0.147 nan 8.230 nan 0.000 0.434 267 L N -0.287 120.993 121.223 0.096 0.000 2.450 267 L HA -0.184 4.156 4.340 -0.000 0.000 0.224 267 L C 1.489 178.336 176.870 -0.038 0.000 1.149 267 L CA 1.042 55.919 54.840 0.062 0.000 0.816 267 L CB -0.544 41.538 42.059 0.039 0.000 0.932 267 L HN 0.407 nan 8.230 nan 0.000 0.449 268 N N -1.288 117.398 118.700 -0.023 0.000 2.268 268 N HA -0.044 4.696 4.740 -0.000 0.000 0.204 268 N C 0.008 175.583 175.510 0.108 0.000 1.124 268 N CA -0.461 52.515 53.050 -0.123 0.000 0.838 268 N CB 0.288 38.724 38.487 -0.085 0.000 0.994 268 N HN 0.201 nan 8.380 nan 0.000 0.489 269 W N 1.078 122.400 121.300 0.038 0.000 2.264 269 W HA 0.141 4.801 4.660 -0.000 0.000 0.331 269 W C 1.287 177.884 176.519 0.130 0.000 1.364 269 W CA 1.285 58.670 57.345 0.066 0.000 1.253 269 W CB 0.117 29.604 29.460 0.045 0.000 1.215 269 W HN 0.241 nan 8.180 nan 0.000 0.561 270 G N 3.375 111.735 108.800 -0.733 0.000 2.179 270 G HA2 -0.416 3.544 3.960 -0.000 0.000 0.260 270 G HA3 -0.416 3.544 3.960 -0.000 0.000 0.260 270 G C 0.706 175.332 174.900 -0.456 0.000 0.977 270 G CA 0.726 45.361 45.100 -0.775 0.000 0.641 270 G HN 0.726 nan 8.290 nan 0.000 0.533 271 H N 0.186 119.028 119.070 -0.380 0.000 2.595 271 H HA 0.345 4.901 4.556 -0.000 0.000 0.265 271 H C 2.656 177.715 175.328 -0.448 0.000 0.953 271 H CA 1.274 57.025 56.048 -0.496 0.000 1.197 271 H CB 0.288 29.703 29.762 -0.579 0.000 1.438 271 H HN 0.396 nan 8.280 nan 0.000 0.531 272 S N 0.362 115.969 115.700 -0.155 0.000 2.348 272 S HA -0.101 4.369 4.470 -0.000 0.000 0.221 272 S C 1.965 176.516 174.600 -0.082 0.000 1.033 272 S CA 1.140 59.289 58.200 -0.086 0.000 1.010 272 S CB 0.004 63.176 63.200 -0.046 0.000 0.891 272 S HN 0.281 nan 8.310 nan 0.000 0.442 273 I N 1.551 122.046 120.570 -0.124 0.000 2.333 273 I HA -0.015 4.155 4.170 -0.000 0.000 0.246 273 I C 2.729 178.774 176.117 -0.120 0.000 1.106 273 I CA 1.182 62.417 61.300 -0.109 0.000 1.411 273 I CB -2.091 35.829 38.000 -0.133 0.000 1.082 273 I HN 0.352 nan 8.210 nan 0.000 0.420 274 G N 0.390 109.065 108.800 -0.208 0.000 2.469 274 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.219 274 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.219 274 G C 1.593 176.460 174.900 -0.055 0.000 1.150 274 G CA 0.871 45.832 45.100 -0.233 0.000 0.763 274 G HN 0.478 nan 8.290 nan 0.000 0.561 275 H N 0.078 119.100 119.070 -0.080 0.000 2.395 275 H HA 0.148 4.704 4.556 0.000 0.000 0.299 275 H C 2.971 178.291 175.328 -0.013 0.000 1.070 275 H CA 0.337 56.384 56.048 -0.002 0.000 1.356 275 H CB 0.201 29.995 29.762 0.053 0.000 1.401 275 H HN 0.446 nan 8.280 nan 0.000 0.524 276 A N 1.233 124.113 122.820 0.099 0.000 1.877 276 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 276 A C 2.351 179.946 177.584 0.018 0.000 1.186 276 A CA 1.267 53.331 52.037 0.045 0.000 0.620 276 A CB -0.692 18.317 19.000 0.015 0.000 0.822 276 A HN 0.285 nan 8.150 nan 0.000 0.443 277 I N -0.612 119.952 120.570 -0.010 0.000 2.163 277 I HA -0.285 3.885 4.170 -0.000 0.000 0.243 277 I C 2.589 178.698 176.117 -0.013 0.000 1.085 277 I CA 1.930 63.212 61.300 -0.031 0.000 1.347 277 I CB -0.360 37.603 38.000 -0.060 0.000 1.044 277 I HN 0.561 nan 8.210 nan 0.000 0.408 278 E N 1.308 121.512 120.200 0.006 0.000 2.153 278 E HA -0.246 4.104 4.350 -0.000 0.000 0.194 278 E C 2.193 178.805 176.600 0.019 0.000 0.988 278 E CA 1.225 57.638 56.400 0.022 0.000 0.811 278 E CB -0.035 29.707 29.700 0.071 0.000 0.746 278 E HN 0.494 nan 8.360 nan 0.000 0.466 279 A N 0.510 123.343 122.820 0.022 0.000 2.019 279 A HA -0.128 4.192 4.320 -0.000 0.000 0.219 279 A C 1.986 179.579 177.584 0.015 0.000 1.164 279 A CA 1.205 53.252 52.037 0.017 0.000 0.644 279 A CB -0.358 18.659 19.000 0.029 0.000 0.805 279 A HN 0.358 nan 8.150 nan 0.000 0.449 280 I N -1.207 119.368 120.570 0.008 0.000 2.512 280 I HA -0.038 4.132 4.170 -0.000 0.000 0.247 280 I C 1.965 178.081 176.117 -0.002 0.000 1.094 280 I CA 0.518 61.818 61.300 -0.001 0.000 1.427 280 I CB -0.304 37.685 38.000 -0.020 0.000 1.149 280 I HN 0.164 nan 8.210 nan 0.000 0.438 281 L N 0.259 121.479 121.223 -0.006 0.000 2.376 281 L HA -0.014 4.326 4.340 -0.000 0.000 0.219 281 L C 1.428 178.300 176.870 0.004 0.000 1.133 281 L CA 0.354 55.193 54.840 -0.003 0.000 0.816 281 L CB -0.725 41.329 42.059 -0.009 0.000 0.933 281 L HN 0.241 nan 8.230 nan 0.000 0.449 282 T N 1.136 115.694 114.554 0.007 0.000 2.900 282 T HA 0.104 4.454 4.350 -0.000 0.000 0.307 282 T C -1.382 173.322 174.700 0.007 0.000 1.065 282 T CA -1.211 60.895 62.100 0.010 0.000 1.105 282 T CB 1.066 69.941 68.868 0.011 0.000 0.979 282 T HN 0.033 nan 8.240 nan 0.000 0.544 283 P HA 0.105 nan 4.420 nan 0.000 0.255 283 P C 0.761 178.068 177.300 0.012 0.000 1.248 283 P CA 0.238 63.343 63.100 0.009 0.000 0.807 283 P CB 0.395 32.099 31.700 0.006 0.000 1.150 284 Q N 0.034 119.840 119.800 0.011 0.000 2.061 284 Q HA -0.048 4.292 4.340 -0.000 0.000 0.204 284 Q C 1.024 177.032 176.000 0.013 0.000 0.984 284 Q CA 1.180 56.990 55.803 0.011 0.000 0.846 284 Q CB -0.369 28.375 28.738 0.010 0.000 0.902 284 Q HN 0.274 nan 8.270 nan 0.000 0.421 285 I N 1.149 121.726 120.570 0.012 0.000 2.359 285 I HA 0.181 4.351 4.170 -0.000 0.000 0.294 285 I C 0.187 176.316 176.117 0.019 0.000 0.987 285 I CA -0.706 60.600 61.300 0.011 0.000 1.225 285 I CB 0.653 38.653 38.000 0.000 0.000 1.366 285 I HN 0.115 nan 8.210 nan 0.000 0.466 286 L N 4.238 125.476 121.223 0.024 0.000 2.472 286 L HA 0.094 4.434 4.340 -0.000 0.000 0.260 286 L C 1.792 178.696 176.870 0.056 0.000 1.209 286 L CA -0.328 54.539 54.840 0.045 0.000 0.817 286 L CB 0.058 42.145 42.059 0.046 0.000 1.106 286 L HN 0.613 nan 8.230 nan 0.000 0.479 287 H N 1.190 120.253 119.070 -0.012 0.000 2.319 287 H HA -0.136 4.420 4.556 0.000 0.000 0.299 287 H C 1.789 177.094 175.328 -0.038 0.000 1.092 287 H CA 2.062 58.102 56.048 -0.013 0.000 1.302 287 H CB -0.121 29.646 29.762 0.007 0.000 1.373 287 H HN 0.760 nan 8.280 nan 0.000 0.497 288 G N -0.129 108.634 108.800 -0.061 0.000 2.422 288 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.218 288 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.218 288 G C 1.536 176.352 174.900 -0.140 0.000 1.146 288 G CA 0.797 45.817 45.100 -0.134 0.000 0.769 288 G HN 0.561 nan 8.290 nan 0.000 0.547 289 E N -0.408 119.746 120.200 -0.077 0.000 2.110 289 E HA -0.124 4.226 4.350 -0.000 0.000 0.193 289 E C 2.560 179.097 176.600 -0.105 0.000 0.988 289 E CA 1.076 57.439 56.400 -0.062 0.000 0.804 289 E CB -0.236 29.451 29.700 -0.022 0.000 0.745 289 E HN 0.441 nan 8.360 nan 0.000 0.458 290 C N 0.323 119.540 119.300 -0.137 0.000 2.457 290 C HA -0.033 4.427 4.460 -0.000 0.000 0.278 290 C C 2.723 177.558 174.990 -0.259 0.000 1.309 290 C CA 0.107 59.029 59.018 -0.160 0.000 1.735 290 C CB -0.483 27.184 27.740 -0.122 0.000 1.992 290 C HN 0.251 nan 8.230 nan 0.000 0.493 291 V N 1.451 121.128 119.914 -0.395 0.000 2.515 291 V HA -0.168 3.952 4.120 -0.000 0.000 0.250 291 V C 2.667 178.538 176.094 -0.371 0.000 1.058 291 V CA 1.993 63.977 62.300 -0.526 0.000 1.064 291 V CB -1.186 30.197 31.823 -0.735 0.000 0.675 291 V HN 0.586 nan 8.190 nan 0.000 0.461 292 A N 0.438 123.109 122.820 -0.248 0.000 1.865 292 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 292 A C 2.160 179.645 177.584 -0.166 0.000 1.191 292 A CA 2.075 54.013 52.037 -0.165 0.000 0.623 292 A CB -0.572 18.375 19.000 -0.088 0.000 0.826 292 A HN 0.490 nan 8.150 nan 0.000 0.444 293 I N -0.209 120.272 120.570 -0.148 0.000 2.264 293 I HA -0.215 3.955 4.170 -0.000 0.000 0.248 293 I C 2.636 178.648 176.117 -0.175 0.000 1.111 293 I CA 1.083 62.307 61.300 -0.126 0.000 1.382 293 I CB -0.657 37.283 38.000 -0.100 0.000 1.060 293 I HN 0.418 nan 8.210 nan 0.000 0.418 294 G N 0.619 109.273 108.800 -0.243 0.000 2.422 294 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.218 294 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.218 294 G C 1.742 176.397 174.900 -0.408 0.000 1.146 294 G CA 0.416 45.337 45.100 -0.298 0.000 0.769 294 G HN 0.221 nan 8.290 nan 0.000 0.547 295 M N 0.049 119.350 119.600 -0.497 0.000 2.117 295 M HA -0.068 4.412 4.480 -0.000 0.000 0.262 295 M C 2.687 178.769 176.300 -0.363 0.000 1.065 295 M CA 1.011 55.856 55.300 -0.758 0.000 1.114 295 M CB -0.306 31.918 32.600 -0.627 0.000 1.361 295 M HN 0.121 nan 8.290 nan 0.000 0.408 296 V N 0.349 120.161 119.914 -0.169 0.000 2.295 296 V HA -0.258 3.862 4.120 -0.000 0.000 0.246 296 V C 2.406 178.474 176.094 -0.044 0.000 1.049 296 V CA 1.589 63.863 62.300 -0.044 0.000 1.024 296 V CB -0.755 31.053 31.823 -0.025 0.000 0.648 296 V HN 0.394 nan 8.190 nan 0.000 0.447 297 K N 0.149 120.492 120.400 -0.094 0.000 2.002 297 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 297 K C 2.143 178.709 176.600 -0.056 0.000 1.048 297 K CA 1.721 57.963 56.287 -0.074 0.000 0.930 297 K CB -0.342 32.100 32.500 -0.097 0.000 0.714 297 K HN 0.548 nan 8.250 nan 0.000 0.438 298 E N 0.256 120.388 120.200 -0.113 0.000 2.204 298 E HA -0.151 4.199 4.350 -0.000 0.000 0.195 298 E C 1.853 178.539 176.600 0.143 0.000 0.990 298 E CA 0.876 57.251 56.400 -0.042 0.000 0.821 298 E CB -0.009 29.562 29.700 -0.215 0.000 0.750 298 E HN 0.306 nan 8.360 nan 0.000 0.477 299 A N 1.749 124.672 122.820 0.171 0.000 1.929 299 A HA -0.199 4.121 4.320 -0.000 0.000 0.216 299 A C 1.994 179.662 177.584 0.140 0.000 1.176 299 A CA 1.355 53.562 52.037 0.284 0.000 0.628 299 A CB -0.378 18.818 19.000 0.327 0.000 0.816 299 A HN 0.350 nan 8.150 nan 0.000 0.444 300 E N -0.229 120.021 120.200 0.083 0.000 2.208 300 E HA -0.133 4.217 4.350 -0.000 0.000 0.193 300 E C 1.815 178.459 176.600 0.073 0.000 0.988 300 E CA 1.073 57.509 56.400 0.061 0.000 0.828 300 E CB -0.454 29.264 29.700 0.031 0.000 0.763 300 E HN 0.414 nan 8.360 nan 0.000 0.478 301 L N 1.814 123.075 121.223 0.062 0.000 2.017 301 L HA -0.081 4.259 4.340 -0.000 0.000 0.208 301 L C 2.486 179.419 176.870 0.104 0.000 1.073 301 L CA 2.200 57.086 54.840 0.076 0.000 0.745 301 L CB -0.725 41.361 42.059 0.045 0.000 0.894 301 L HN 0.185 nan 8.230 nan 0.000 0.432 302 A N -0.373 122.491 122.820 0.074 0.000 1.972 302 A HA -0.244 4.076 4.320 -0.000 0.000 0.219 302 A C 2.425 180.003 177.584 -0.009 0.000 1.169 302 A CA 1.730 53.772 52.037 0.008 0.000 0.635 302 A CB -0.625 18.385 19.000 0.017 0.000 0.810 302 A HN 0.538 nan 8.150 nan 0.000 0.446 303 R N -0.624 119.898 120.500 0.036 0.000 2.092 303 R HA -0.168 4.172 4.340 -0.000 0.000 0.231 303 R C 2.007 178.329 176.300 0.036 0.000 1.119 303 R CA 2.133 58.248 56.100 0.025 0.000 0.970 303 R CB -0.854 29.472 30.300 0.044 0.000 0.864 303 R HN 0.686 nan 8.270 nan 0.000 0.440 304 H N -0.158 118.899 119.070 -0.023 0.000 2.421 304 H HA 0.010 4.566 4.556 -0.000 0.000 0.298 304 H C 1.163 176.470 175.328 -0.035 0.000 1.087 304 H CA 1.921 57.956 56.048 -0.022 0.000 1.330 304 H CB -0.005 29.747 29.762 -0.016 0.000 1.388 304 H HN 0.283 nan 8.280 nan 0.000 0.526 305 L N -0.341 120.811 121.223 -0.118 0.000 2.612 305 L HA 0.216 4.556 4.340 -0.000 0.000 0.230 305 L C 1.438 178.205 176.870 -0.171 0.000 1.140 305 L CA 0.390 55.116 54.840 -0.190 0.000 0.896 305 L CB 0.080 42.063 42.059 -0.126 0.000 1.065 305 L HN 0.596 nan 8.230 nan 0.000 0.447 306 G N 0.467 109.186 108.800 -0.136 0.000 2.198 306 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.260 306 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.260 306 G C 0.625 175.466 174.900 -0.099 0.000 1.025 306 G CA 0.671 45.712 45.100 -0.100 0.000 0.769 306 G HN 0.470 nan 8.290 nan 0.000 0.507 307 I N -1.602 118.886 120.570 -0.136 0.000 3.790 307 I HA 0.348 4.518 4.170 -0.000 0.000 0.305 307 I C 0.811 176.877 176.117 -0.085 0.000 1.253 307 I CA -0.032 61.170 61.300 -0.165 0.000 1.355 307 I CB 0.375 38.130 38.000 -0.409 0.000 1.137 307 I HN 0.212 nan 8.210 nan 0.000 0.435 308 L N 1.252 122.434 121.223 -0.067 0.000 2.341 308 L HA 0.491 4.831 4.340 -0.000 0.000 0.278 308 L C -0.184 176.668 176.870 -0.030 0.000 1.005 308 L CA -0.648 54.165 54.840 -0.044 0.000 0.818 308 L CB 1.163 43.204 42.059 -0.030 0.000 1.259 308 L HN -0.180 nan 8.230 nan 0.000 0.418 309 K N 2.538 122.918 120.400 -0.033 0.000 2.401 309 K HA 0.356 4.676 4.320 -0.000 0.000 0.278 309 K C 1.222 177.812 176.600 -0.016 0.000 1.018 309 K CA 1.018 57.290 56.287 -0.024 0.000 0.981 309 K CB 1.150 33.632 32.500 -0.030 0.000 0.933 309 K HN 0.778 nan 8.250 nan 0.000 0.477 310 G N 1.801 110.598 108.800 -0.006 0.000 2.479 310 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 310 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 310 G C 1.013 175.916 174.900 0.004 0.000 1.115 310 G CA 0.957 46.060 45.100 0.005 0.000 0.757 310 G HN 0.451 nan 8.290 nan 0.000 0.560 311 V N 1.046 120.957 119.914 -0.006 0.000 2.548 311 V HA -0.036 4.084 4.120 -0.000 0.000 0.249 311 V C 3.184 179.267 176.094 -0.018 0.000 1.055 311 V CA 1.683 63.980 62.300 -0.006 0.000 1.065 311 V CB -0.752 31.064 31.823 -0.012 0.000 0.681 311 V HN 0.425 nan 8.190 nan 0.000 0.462 312 A N 0.220 123.014 122.820 -0.044 0.000 1.969 312 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 312 A C 2.378 179.940 177.584 -0.037 0.000 1.169 312 A CA 1.756 53.739 52.037 -0.089 0.000 0.635 312 A CB -0.573 18.352 19.000 -0.126 0.000 0.810 312 A HN 0.340 nan 8.150 nan 0.000 0.445 313 V N 1.121 121.040 119.914 0.008 0.000 2.295 313 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 313 V C 3.023 179.156 176.094 0.065 0.000 1.049 313 V CA 2.446 64.778 62.300 0.053 0.000 1.024 313 V CB -1.181 30.672 31.823 0.050 0.000 0.648 313 V HN 0.806 nan 8.190 nan 0.000 0.447 314 S N 0.653 116.382 115.700 0.049 0.000 2.382 314 S HA -0.251 4.219 4.470 -0.000 0.000 0.228 314 S C 2.061 176.717 174.600 0.092 0.000 1.027 314 S CA 1.515 59.752 58.200 0.061 0.000 0.991 314 S CB -0.525 62.701 63.200 0.045 0.000 0.823 314 S HN 0.581 nan 8.310 nan 0.000 0.469 315 R N 0.746 121.299 120.500 0.088 0.000 2.081 315 R HA 0.141 4.481 4.340 -0.000 0.000 0.235 315 R C 2.380 178.864 176.300 0.306 0.000 1.131 315 R CA 1.625 57.825 56.100 0.166 0.000 0.960 315 R CB -0.652 29.698 30.300 0.083 0.000 0.856 315 R HN 0.439 nan 8.270 nan 0.000 0.436 316 I N 0.309 121.022 120.570 0.239 0.000 2.208 316 I HA -0.284 3.886 4.170 -0.000 0.000 0.245 316 I C 2.213 178.494 176.117 0.272 0.000 1.097 316 I CA 1.204 62.722 61.300 0.364 0.000 1.363 316 I CB -0.160 38.008 38.000 0.281 0.000 1.051 316 I HN -0.012 nan 8.210 nan 0.000 0.413 317 V N 0.584 120.605 119.914 0.178 0.000 2.358 317 V HA -0.225 3.895 4.120 -0.000 0.000 0.246 317 V C 2.466 178.635 176.094 0.125 0.000 1.047 317 V CA 1.566 63.941 62.300 0.125 0.000 1.035 317 V CB -0.619 31.256 31.823 0.087 0.000 0.658 317 V HN 0.337 nan 8.190 nan 0.000 0.452 318 K N -0.693 119.790 120.400 0.137 0.000 2.097 318 K HA -0.139 4.181 4.320 -0.000 0.000 0.205 318 K C 2.266 178.946 176.600 0.133 0.000 1.050 318 K CA 1.578 57.936 56.287 0.117 0.000 0.938 318 K CB -1.113 31.455 32.500 0.113 0.000 0.718 318 K HN 0.520 nan 8.250 nan 0.000 0.442 319 C N 1.250 120.664 119.300 0.189 0.000 2.446 319 C HA -0.019 4.441 4.460 -0.000 0.000 0.277 319 C C 2.760 177.877 174.990 0.212 0.000 1.275 319 C CA 0.366 59.485 59.018 0.169 0.000 1.727 319 C CB -1.025 26.748 27.740 0.055 0.000 2.010 319 C HN 0.353 nan 8.230 nan 0.000 0.486 320 L N 1.141 122.468 121.223 0.173 0.000 1.989 320 L HA -0.127 4.213 4.340 -0.000 0.000 0.211 320 L C 2.998 179.957 176.870 0.149 0.000 1.071 320 L CA 1.896 56.824 54.840 0.147 0.000 0.749 320 L CB -0.900 41.219 42.059 0.100 0.000 0.890 320 L HN 0.398 nan 8.230 nan 0.000 0.431 321 A N -0.016 122.869 122.820 0.109 0.000 1.908 321 A HA -0.228 4.092 4.320 -0.000 0.000 0.218 321 A C 2.526 180.149 177.584 0.065 0.000 1.181 321 A CA 1.876 53.959 52.037 0.077 0.000 0.627 321 A CB -0.848 18.186 19.000 0.058 0.000 0.818 321 A HN 0.438 nan 8.150 nan 0.000 0.445 322 A N -1.813 121.043 122.820 0.059 0.000 1.948 322 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 322 A C 1.898 179.398 177.584 -0.140 0.000 1.177 322 A CA 1.655 53.665 52.037 -0.045 0.000 0.636 322 A CB -0.699 18.262 19.000 -0.067 0.000 0.815 322 A HN 0.625 nan 8.150 nan 0.000 0.449 323 Y N -1.069 119.252 120.300 0.036 0.000 2.466 323 Y HA 0.351 4.901 4.550 0.000 0.000 0.272 323 Y C 1.725 177.668 175.900 0.072 0.000 1.169 323 Y CA 0.380 58.518 58.100 0.064 0.000 1.285 323 Y CB 0.187 38.687 38.460 0.067 0.000 1.078 323 Y HN 0.467 nan 8.280 nan 0.000 0.523 324 G N 0.421 109.306 108.800 0.141 0.000 2.132 324 G HA2 -0.253 3.707 3.960 -0.000 0.000 0.234 324 G HA3 -0.253 3.707 3.960 -0.000 0.000 0.234 324 G C -0.151 174.808 174.900 0.098 0.000 0.989 324 G CA -0.152 45.009 45.100 0.103 0.000 0.676 324 G HN 0.222 nan 8.290 nan 0.000 0.522 325 L N 1.635 122.920 121.223 0.104 0.000 2.343 325 L HA 0.518 4.858 4.340 -0.000 0.000 0.275 325 L C -1.421 175.474 176.870 0.042 0.000 1.056 325 L CA -2.303 52.576 54.840 0.066 0.000 0.804 325 L CB 1.374 43.468 42.059 0.058 0.000 1.203 325 L HN -0.027 nan 8.230 nan 0.000 0.440 326 P HA 0.094 nan 4.420 nan 0.000 0.275 326 P C -0.114 177.186 177.300 -0.001 0.000 1.228 326 P CA -0.246 62.859 63.100 0.009 0.000 0.786 326 P CB 1.134 32.834 31.700 -0.001 0.000 0.927 327 T N -2.109 112.447 114.554 0.004 0.000 3.200 327 T HA 0.352 4.702 4.350 -0.000 0.000 0.284 327 T C 0.222 174.917 174.700 -0.008 0.000 1.009 327 T CA -0.429 61.671 62.100 0.000 0.000 0.907 327 T CB -0.333 68.549 68.868 0.023 0.000 1.120 327 T HN 0.477 nan 8.240 nan 0.000 0.534 328 S N -0.507 115.185 115.700 -0.012 0.000 2.578 328 S HA 0.479 4.949 4.470 -0.000 0.000 0.272 328 S C 0.109 174.701 174.600 -0.014 0.000 1.145 328 S CA -0.757 57.434 58.200 -0.014 0.000 0.835 328 S CB 0.776 63.974 63.200 -0.003 0.000 1.104 328 S HN 0.211 nan 8.310 nan 0.000 0.458 329 L N 2.416 123.630 121.223 -0.016 0.000 2.291 329 L HA 0.107 4.447 4.340 -0.000 0.000 0.214 329 L C 1.895 178.767 176.870 0.004 0.000 1.120 329 L CA 0.913 55.746 54.840 -0.012 0.000 0.799 329 L CB -0.201 41.847 42.059 -0.017 0.000 0.925 329 L HN 0.637 nan 8.230 nan 0.000 0.446 330 K N -0.440 119.965 120.400 0.008 0.000 2.525 330 K HA -0.056 4.264 4.320 -0.000 0.000 0.192 330 K C 0.442 177.049 176.600 0.011 0.000 1.029 330 K CA -0.107 56.188 56.287 0.013 0.000 1.029 330 K CB -0.156 32.352 32.500 0.013 0.000 0.814 330 K HN 0.209 nan 8.250 nan 0.000 0.503 331 D N 0.955 121.360 120.400 0.008 0.000 2.531 331 D HA -0.082 4.558 4.640 -0.000 0.000 0.239 331 D C 0.989 177.296 176.300 0.010 0.000 1.144 331 D CA 0.120 54.125 54.000 0.009 0.000 0.869 331 D CB 1.118 41.922 40.800 0.007 0.000 1.160 331 D HN 0.160 nan 8.370 nan 0.000 0.484 332 A N 6.186 129.012 122.820 0.011 0.000 1.869 332 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 332 A C 2.212 179.802 177.584 0.011 0.000 1.203 332 A CA 1.845 53.888 52.037 0.010 0.000 0.638 332 A CB -0.349 18.657 19.000 0.009 0.000 0.831 332 A HN 0.797 nan 8.150 nan 0.000 0.450 333 R N -0.700 119.807 120.500 0.012 0.000 2.112 333 R HA -0.156 4.184 4.340 -0.000 0.000 0.242 333 R C 2.103 178.410 176.300 0.012 0.000 1.137 333 R CA 1.938 58.046 56.100 0.013 0.000 0.944 333 R CB -0.588 29.721 30.300 0.016 0.000 0.857 333 R HN 0.623 nan 8.270 nan 0.000 0.435 334 I N 0.227 120.803 120.570 0.011 0.000 2.226 334 I HA -0.271 3.899 4.170 -0.000 0.000 0.245 334 I C 2.567 178.691 176.117 0.012 0.000 1.100 334 I CA 1.287 62.592 61.300 0.009 0.000 1.374 334 I CB -0.258 37.744 38.000 0.003 0.000 1.057 334 I HN 0.191 nan 8.210 nan 0.000 0.413 335 R N 0.715 121.223 120.500 0.014 0.000 2.066 335 R HA -0.197 4.143 4.340 -0.000 0.000 0.232 335 R C 2.343 178.653 176.300 0.015 0.000 1.131 335 R CA 1.344 57.454 56.100 0.018 0.000 0.955 335 R CB -0.349 29.961 30.300 0.018 0.000 0.851 335 R HN 0.309 nan 8.270 nan 0.000 0.432 336 K N 1.199 121.606 120.400 0.013 0.000 2.032 336 K HA -0.138 4.182 4.320 -0.000 0.000 0.209 336 K C 2.095 178.701 176.600 0.011 0.000 1.048 336 K CA 1.303 57.596 56.287 0.011 0.000 0.927 336 K CB -0.126 32.380 32.500 0.010 0.000 0.712 336 K HN 0.108 nan 8.250 nan 0.000 0.441 337 L N 0.683 121.913 121.223 0.012 0.000 2.191 337 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 337 L C 1.634 178.511 176.870 0.012 0.000 1.103 337 L CA 1.484 56.331 54.840 0.012 0.000 0.769 337 L CB -0.363 41.703 42.059 0.012 0.000 0.908 337 L HN 0.412 nan 8.230 nan 0.000 0.438 338 T N -2.711 111.852 114.554 0.014 0.000 3.258 338 T HA 0.502 4.852 4.350 -0.000 0.000 0.263 338 T C 0.464 175.177 174.700 0.020 0.000 0.983 338 T CA -0.336 61.774 62.100 0.016 0.000 0.907 338 T CB 0.045 68.922 68.868 0.017 0.000 1.096 338 T HN 0.151 nan 8.240 nan 0.000 0.556 339 A N 0.519 123.349 122.820 0.017 0.000 2.524 339 A HA 0.562 4.882 4.320 -0.000 0.000 0.250 339 A C 1.598 179.192 177.584 0.016 0.000 1.078 339 A CA 0.288 52.334 52.037 0.016 0.000 0.761 339 A CB -0.951 18.056 19.000 0.011 0.000 1.012 339 A HN 1.633 nan 8.150 nan 0.000 0.500 340 G N 1.639 110.451 108.800 0.020 0.000 2.148 340 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.203 340 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.203 340 G C -0.052 174.866 174.900 0.029 0.000 0.993 340 G CA 0.375 45.487 45.100 0.019 0.000 0.661 340 G HN 0.860 nan 8.290 nan 0.000 0.518 341 K N -0.688 119.738 120.400 0.043 0.000 2.527 341 K HA 0.615 4.935 4.320 -0.000 0.000 0.260 341 K C -1.413 175.255 176.600 0.113 0.000 0.937 341 K CA -0.989 55.333 56.287 0.058 0.000 0.826 341 K CB 2.267 34.786 32.500 0.031 0.000 1.359 341 K HN 0.300 nan 8.250 nan 0.000 0.434 342 H N -0.246 118.821 119.070 -0.005 0.000 2.947 342 H HA 0.337 4.893 4.556 -0.000 0.000 0.354 342 H C -1.541 173.784 175.328 -0.005 0.000 1.085 342 H CA -0.543 55.501 56.048 -0.006 0.000 1.253 342 H CB 1.102 30.859 29.762 -0.008 0.000 1.757 342 H HN 0.608 nan 8.280 nan 0.000 0.523 343 C N 5.429 124.363 119.300 -0.611 0.000 2.116 343 C HA 0.403 4.863 4.460 -0.000 0.000 0.367 343 C C 0.518 175.104 174.990 -0.674 0.000 1.039 343 C CA -0.326 58.410 59.018 -0.470 0.000 1.465 343 C CB -2.174 25.426 27.740 -0.234 0.000 1.783 343 C HN 0.769 nan 8.230 nan 0.000 0.470 344 S N 1.798 117.164 115.700 -0.555 0.000 2.593 344 S HA 0.247 4.717 4.470 -0.000 0.000 0.269 344 S C 1.094 175.628 174.600 -0.110 0.000 1.334 344 S CA -0.557 57.505 58.200 -0.230 0.000 1.015 344 S CB 0.817 64.015 63.200 -0.002 0.000 0.912 344 S HN 0.425 nan 8.310 nan 0.000 0.541 345 V N 1.540 121.432 119.914 -0.036 0.000 2.427 345 V HA -0.145 3.975 4.120 -0.000 0.000 0.248 345 V C 2.041 178.136 176.094 0.001 0.000 1.051 345 V CA 2.229 64.517 62.300 -0.020 0.000 1.048 345 V CB -1.276 30.544 31.823 -0.005 0.000 0.666 345 V HN 0.852 nan 8.190 nan 0.000 0.456 346 D N -0.339 120.067 120.400 0.011 0.000 2.087 346 D HA -0.219 4.421 4.640 -0.000 0.000 0.192 346 D C 2.198 178.534 176.300 0.060 0.000 0.993 346 D CA 1.404 55.423 54.000 0.032 0.000 0.828 346 D CB -0.315 40.492 40.800 0.010 0.000 0.968 346 D HN 0.318 nan 8.370 nan 0.000 0.448 347 Q N 0.274 120.087 119.800 0.022 0.000 2.112 347 Q HA -0.126 4.214 4.340 -0.000 0.000 0.206 347 Q C 1.989 178.051 176.000 0.102 0.000 0.987 347 Q CA 1.274 57.107 55.803 0.049 0.000 0.858 347 Q CB -0.418 28.313 28.738 -0.012 0.000 0.905 347 Q HN 0.362 nan 8.270 nan 0.000 0.420 348 L N -1.069 120.177 121.223 0.039 0.000 2.056 348 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 348 L C 2.333 179.233 176.870 0.050 0.000 1.078 348 L CA 0.916 55.773 54.840 0.028 0.000 0.749 348 L CB -0.431 41.619 42.059 -0.016 0.000 0.901 348 L HN 0.320 nan 8.230 nan 0.000 0.433 349 M N -1.135 118.501 119.600 0.061 0.000 2.132 349 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 349 M C 2.384 178.735 176.300 0.085 0.000 1.065 349 M CA 1.730 57.065 55.300 0.058 0.000 1.122 349 M CB -1.139 31.496 32.600 0.059 0.000 1.365 349 M HN 0.164 nan 8.290 nan 0.000 0.411 350 F N 2.208 122.153 119.950 -0.009 0.000 2.095 350 F HA -0.258 4.269 4.527 -0.000 0.000 0.298 350 F C 1.912 177.711 175.800 -0.001 0.000 1.104 350 F CA 1.800 59.797 58.000 -0.004 0.000 1.232 350 F CB -0.492 38.505 39.000 -0.006 0.000 0.987 350 F HN 0.227 nan 8.300 nan 0.000 0.475 351 N N 0.039 118.807 118.700 0.114 0.000 2.289 351 N HA -0.160 4.580 4.740 -0.000 0.000 0.184 351 N C 1.779 177.262 175.510 -0.045 0.000 1.016 351 N CA 1.465 54.527 53.050 0.020 0.000 0.872 351 N CB -0.428 38.107 38.487 0.080 0.000 0.973 351 N HN 0.382 nan 8.380 nan 0.000 0.433 352 M N -0.178 119.404 119.600 -0.030 0.000 2.557 352 M HA 0.064 4.544 4.480 -0.000 0.000 0.259 352 M C 0.768 177.031 176.300 -0.062 0.000 1.086 352 M CA 0.228 55.512 55.300 -0.027 0.000 1.096 352 M CB -0.039 32.554 32.600 -0.012 0.000 1.424 352 M HN 0.071 nan 8.290 nan 0.000 0.488 365 I N 1.740 122.346 120.570 0.060 0.000 2.545 365 I HA 0.249 4.419 4.170 -0.000 0.000 0.292 365 I C 0.024 176.219 176.117 0.130 0.000 1.040 365 I CA -0.978 60.370 61.300 0.078 0.000 1.068 365 I CB 2.069 40.106 38.000 0.062 0.000 1.251 365 I HN 0.206 nan 8.210 nan 0.000 0.424 366 V N 6.326 126.351 119.914 0.186 0.000 2.485 366 V HA 0.118 4.238 4.120 -0.000 0.000 0.287 366 V C 0.256 176.532 176.094 0.304 0.000 1.022 366 V CA 0.007 62.451 62.300 0.241 0.000 1.067 366 V CB -0.080 31.926 31.823 0.306 0.000 0.967 366 V HN 0.410 nan 8.190 nan 0.000 0.479 367 L N 6.137 127.470 121.223 0.184 0.000 2.322 367 L HA 0.570 4.910 4.340 -0.000 0.000 0.279 367 L C -0.233 176.650 176.870 0.022 0.000 1.036 367 L CA -0.508 54.403 54.840 0.119 0.000 0.807 367 L CB 1.574 43.640 42.059 0.012 0.000 1.226 367 L HN 0.405 nan 8.230 nan 0.000 0.433 368 L N 1.287 122.468 121.223 -0.069 0.000 2.322 368 L HA 0.329 4.669 4.340 -0.000 0.000 0.279 368 L C 0.789 177.605 176.870 -0.089 0.000 1.036 368 L CA -0.033 54.689 54.840 -0.196 0.000 0.807 368 L CB 2.007 43.817 42.059 -0.416 0.000 1.226 368 L HN 0.651 nan 8.230 nan 0.000 0.433 369 S N 1.184 116.852 115.700 -0.053 0.000 2.512 369 S HA 0.520 4.990 4.470 -0.000 0.000 0.216 369 S C -0.008 174.558 174.600 -0.056 0.000 1.006 369 S CA 0.286 58.487 58.200 0.001 0.000 0.915 369 S CB 0.449 63.712 63.200 0.105 0.000 0.824 369 S HN 0.751 nan 8.310 nan 0.000 0.497 370 A N 0.574 123.323 122.820 -0.118 0.000 2.550 370 A HA 0.416 4.736 4.320 -0.000 0.000 0.295 370 A C -1.389 176.061 177.584 -0.224 0.000 1.001 370 A CA -0.853 51.098 52.037 -0.144 0.000 0.660 370 A CB 0.082 19.021 19.000 -0.101 0.000 1.308 370 A HN 0.091 nan 8.150 nan 0.000 0.426 371 I N 1.709 122.117 120.570 -0.271 0.000 2.752 371 I HA 0.284 4.454 4.170 -0.000 0.000 0.286 371 I C 1.596 177.559 176.117 -0.256 0.000 1.180 371 I CA 2.404 63.473 61.300 -0.385 0.000 1.404 371 I CB -0.787 36.898 38.000 -0.526 0.000 1.389 371 I HN 1.804 nan 8.210 nan 0.000 0.549 372 G N 4.868 113.524 108.800 -0.240 0.000 2.143 372 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.249 372 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.249 372 G C 0.284 175.106 174.900 -0.130 0.000 0.981 372 G CA 0.127 45.139 45.100 -0.147 0.000 0.665 372 G HN 0.619 nan 8.290 nan 0.000 0.528 373 T N 1.421 115.878 114.554 -0.163 0.000 3.066 373 T HA 0.542 4.892 4.350 -0.000 0.000 0.318 373 T C -2.896 171.729 174.700 -0.125 0.000 0.979 373 T CA -0.864 61.166 62.100 -0.116 0.000 1.025 373 T CB 3.239 72.055 68.868 -0.086 0.000 1.002 373 T HN 0.050 nan 8.240 nan 0.000 0.453 374 P HA 0.268 nan 4.420 nan 0.000 0.276 374 P C 0.063 177.379 177.300 0.027 0.000 1.252 374 P CA -0.614 62.445 63.100 -0.069 0.000 0.802 374 P CB 0.851 32.524 31.700 -0.044 0.000 1.035 375 Y N 1.083 121.341 120.300 -0.071 0.000 2.109 375 Y HA -0.004 4.546 4.550 -0.000 0.000 0.281 375 Y C 0.771 176.657 175.900 -0.024 0.000 1.113 375 Y CA 1.574 59.649 58.100 -0.041 0.000 1.098 375 Y CB -0.073 38.373 38.460 -0.023 0.000 0.996 375 Y HN 0.335 nan 8.280 nan 0.000 0.485 376 E N -0.962 119.245 120.200 0.013 0.000 2.239 376 E HA 0.173 4.523 4.350 -0.000 0.000 0.261 376 E C 0.765 177.353 176.600 -0.020 0.000 1.016 376 E CA 0.337 56.686 56.400 -0.085 0.000 0.882 376 E CB 1.388 31.085 29.700 -0.005 0.000 1.190 376 E HN 0.270 nan 8.360 nan 0.000 0.415 377 T N -1.011 113.526 114.554 -0.029 0.000 3.163 377 T HA -0.006 4.344 4.350 -0.000 0.000 0.260 377 T C 0.548 175.259 174.700 0.019 0.000 1.156 377 T CA 0.163 62.261 62.100 -0.003 0.000 1.072 377 T CB -0.217 68.645 68.868 -0.010 0.000 0.937 377 T HN 0.351 nan 8.240 nan 0.000 0.528 378 R N -0.167 120.351 120.500 0.029 0.000 2.747 378 R HA 0.710 5.050 4.340 -0.000 0.000 0.272 378 R C -1.303 175.037 176.300 0.067 0.000 1.032 378 R CA -0.618 55.508 56.100 0.044 0.000 0.896 378 R CB 0.659 30.977 30.300 0.030 0.000 1.253 378 R HN 0.048 nan 8.270 nan 0.000 0.461 379 A N 1.483 124.345 122.820 0.070 0.000 2.546 379 A HA 0.352 4.672 4.320 -0.000 0.000 0.243 379 A C -0.153 177.483 177.584 0.087 0.000 1.063 379 A CA 0.157 52.246 52.037 0.086 0.000 0.757 379 A CB -0.286 18.756 19.000 0.070 0.000 0.991 379 A HN 0.638 nan 8.150 nan 0.000 0.503 380 S N 0.936 116.703 115.700 0.112 0.000 2.632 380 S HA 0.441 4.911 4.470 -0.000 0.000 0.271 380 S C 0.018 174.668 174.600 0.082 0.000 1.260 380 S CA -0.715 57.555 58.200 0.117 0.000 1.010 380 S CB 1.469 64.772 63.200 0.172 0.000 0.965 380 S HN 0.565 nan 8.310 nan 0.000 0.534 381 V N 2.879 122.837 119.914 0.073 0.000 2.385 381 V HA 0.355 4.475 4.120 -0.000 0.000 0.269 381 V C -0.226 175.897 176.094 0.048 0.000 1.043 381 V CA -0.324 62.007 62.300 0.052 0.000 0.906 381 V CB 0.831 32.679 31.823 0.043 0.000 0.995 381 V HN 0.665 nan 8.190 nan 0.000 0.467 382 V N 3.860 123.798 119.914 0.040 0.000 2.715 382 V HA 0.738 4.858 4.120 -0.000 0.000 0.310 382 V C 0.460 176.574 176.094 0.033 0.000 1.054 382 V CA -0.920 61.403 62.300 0.037 0.000 0.928 382 V CB 1.959 33.805 31.823 0.039 0.000 1.007 382 V HN 0.930 nan 8.190 nan 0.000 0.437 383 A N 2.280 125.122 122.820 0.036 0.000 2.440 383 A HA 0.286 4.606 4.320 -0.000 0.000 0.251 383 A C 1.168 178.769 177.584 0.028 0.000 1.089 383 A CA -0.290 51.766 52.037 0.032 0.000 0.779 383 A CB -0.114 18.907 19.000 0.036 0.000 1.022 383 A HN 0.877 nan 8.150 nan 0.000 0.492 384 N N 1.328 120.040 118.700 0.021 0.000 2.192 384 N HA -0.186 4.554 4.740 -0.000 0.000 0.188 384 N C 1.611 177.129 175.510 0.012 0.000 1.013 384 N CA 1.659 54.718 53.050 0.015 0.000 0.863 384 N CB -0.059 38.438 38.487 0.016 0.000 0.990 384 N HN 0.852 nan 8.380 nan 0.000 0.430 385 E N 0.954 121.166 120.200 0.020 0.000 2.072 385 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 385 E C 0.766 177.373 176.600 0.012 0.000 0.985 385 E CA 0.969 57.380 56.400 0.018 0.000 0.801 385 E CB -0.493 29.225 29.700 0.030 0.000 0.750 385 E HN 0.357 nan 8.360 nan 0.000 0.452 386 D N 1.164 121.588 120.400 0.040 0.000 2.219 386 D HA -0.028 4.612 4.640 -0.000 0.000 0.205 386 D C 2.260 178.519 176.300 -0.068 0.000 0.970 386 D CA 0.673 54.701 54.000 0.047 0.000 0.851 386 D CB -0.056 40.848 40.800 0.173 0.000 0.943 386 D HN 0.280 nan 8.370 nan 0.000 0.488 387 I N 0.857 121.410 120.570 -0.028 0.000 2.202 387 I HA -0.209 3.961 4.170 -0.000 0.000 0.242 387 I C 2.588 178.667 176.117 -0.064 0.000 1.091 387 I CA 0.859 62.134 61.300 -0.042 0.000 1.368 387 I CB -0.159 37.832 38.000 -0.016 0.000 1.058 387 I HN -0.134 nan 8.210 nan 0.000 0.410 388 R N 0.688 121.160 120.500 -0.048 0.000 2.083 388 R HA -0.150 4.190 4.340 -0.000 0.000 0.237 388 R C 2.210 178.467 176.300 -0.072 0.000 1.137 388 R CA 1.874 57.947 56.100 -0.044 0.000 0.951 388 R CB -0.658 29.628 30.300 -0.022 0.000 0.851 388 R HN 0.403 nan 8.270 nan 0.000 0.434 389 V N -1.640 118.208 119.914 -0.110 0.000 3.330 389 V HA -0.061 4.059 4.120 -0.000 0.000 0.273 389 V C 1.474 177.457 176.094 -0.186 0.000 1.179 389 V CA 1.183 63.394 62.300 -0.148 0.000 1.174 389 V CB -0.030 31.669 31.823 -0.206 0.000 0.794 389 V HN 0.048 nan 8.190 nan 0.000 0.527 390 V N -1.058 118.758 119.914 -0.163 0.000 3.572 390 V HA 0.279 4.399 4.120 -0.000 0.000 0.260 390 V C 1.911 177.957 176.094 -0.080 0.000 1.324 390 V CA 0.566 62.786 62.300 -0.132 0.000 1.068 390 V CB 0.811 32.550 31.823 -0.141 0.000 0.837 390 V HN 0.432 nan 8.190 nan 0.000 0.450 391 L N 0.173 121.356 121.223 -0.067 0.000 2.202 391 L HA 0.361 4.701 4.340 -0.000 0.000 0.205 391 L C 1.599 178.445 176.870 -0.039 0.000 1.083 391 L CA 0.687 55.497 54.840 -0.051 0.000 0.790 391 L CB -0.261 41.772 42.059 -0.043 0.000 0.942 391 L HN 0.316 nan 8.230 nan 0.000 0.452 392 A N 1.032 123.832 122.820 -0.035 0.000 2.448 392 A HA 0.289 4.609 4.320 -0.000 0.000 0.239 392 A C -1.834 175.740 177.584 -0.016 0.000 1.080 392 A CA -0.901 51.125 52.037 -0.018 0.000 0.779 392 A CB -0.740 18.249 19.000 -0.017 0.000 1.026 392 A HN 0.065 nan 8.150 nan 0.000 0.499 393 P HA 0.000 nan 4.420 nan 0.000 0.216 393 P CA 0.000 63.101 63.100 0.002 0.000 0.800 393 P CB 0.000 31.709 31.700 0.015 0.000 0.726