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 1n1e_1_B DATA FIRST_RESID 9 DATA SEQUENCE KDELLYLNKA VVFGSGAFGT ALAMVLSKKC REVCVWHMNE EEVRLVNEKR DATA SEQUENCE ENVLFLKGVQ LASNITFTSD VEKAYNGAEI ILFVIPTQFL RGFFEKSGGN DATA SEQUENCE LIAYAKEKQV PVLVCTKGIE RSTLKFPAEI IGEFLPSPLL SVLAGPSFAI DATA SEQUENCE EVATGVFTCV SIASADINVA RRLQRIMSTG DRSFVCWATT DTVGCEVASA DATA SEQUENCE VKNVLAIGSG VANGLGMGLN ARAALIMRGL LEIRDLTAAL GGDGSAVFGL DATA SEQUENCE AGLGDLQLTC SSELSRNFTV GKKLGKGLPI EEIQRTSKAV AEGVATADPL DATA SEQUENCE MRLAKQLKVK MPLCHQIYEI VYKKKNPRDA LADLLSCGLQ DEGLPPLFK 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 9 K HA 0.000 nan 4.320 nan 0.000 0.191 9 K C 0.000 176.580 176.600 -0.033 0.000 0.988 9 K CA 0.000 56.276 56.287 -0.019 0.000 0.838 9 K CB 0.000 32.491 32.500 -0.015 0.000 1.064 10 D N 1.255 121.635 120.400 -0.033 0.000 2.325 10 D HA -0.004 4.636 4.640 -0.000 0.000 0.225 10 D C -0.310 175.969 176.300 -0.035 0.000 1.096 10 D CA 0.277 54.248 54.000 -0.047 0.000 0.844 10 D CB 0.486 41.257 40.800 -0.048 0.000 0.925 10 D HN 0.413 nan 8.370 nan 0.000 0.513 11 E N 0.268 120.455 120.200 -0.021 0.000 2.216 11 E HA 0.335 4.685 4.350 -0.000 0.000 0.279 11 E C -0.163 176.421 176.600 -0.026 0.000 0.997 11 E CA -0.518 55.881 56.400 -0.002 0.000 0.817 11 E CB 1.299 31.013 29.700 0.023 0.000 1.096 11 E HN 0.012 nan 8.360 nan 0.000 0.393 12 L N 3.914 125.114 121.223 -0.039 0.000 2.436 12 L HA 0.290 4.630 4.340 -0.000 0.000 0.265 12 L C -0.143 176.573 176.870 -0.257 0.000 1.168 12 L CA -0.377 54.349 54.840 -0.190 0.000 0.815 12 L CB 0.271 42.157 42.059 -0.289 0.000 1.109 12 L HN 0.392 nan 8.230 nan 0.000 0.462 13 L N 1.725 122.729 121.223 -0.367 0.000 2.331 13 L HA 0.495 4.835 4.340 -0.000 0.000 0.275 13 L C -1.104 175.441 176.870 -0.541 0.000 1.022 13 L CA -0.595 54.086 54.840 -0.266 0.000 0.812 13 L CB 1.497 43.490 42.059 -0.109 0.000 1.257 13 L HN 0.352 nan 8.230 nan 0.000 0.435 14 Y N 1.838 122.140 120.300 0.004 0.000 2.499 14 Y HA 0.681 5.231 4.550 -0.000 0.000 0.347 14 Y C -0.292 175.609 175.900 0.002 0.000 0.987 14 Y CA -0.784 57.316 58.100 0.001 0.000 1.044 14 Y CB 1.693 40.154 38.460 0.001 0.000 1.245 14 Y HN 0.254 nan 8.280 nan 0.000 0.461 15 L N 1.307 122.611 121.223 0.134 0.000 2.301 15 L HA 0.507 4.847 4.340 -0.000 0.000 0.264 15 L C 0.493 177.405 176.870 0.071 0.000 1.016 15 L CA -0.995 53.892 54.840 0.079 0.000 0.821 15 L CB 1.552 43.635 42.059 0.040 0.000 1.346 15 L HN 0.643 nan 8.230 nan 0.000 0.429 16 N N 0.533 119.265 118.700 0.053 0.000 2.135 16 N HA -0.036 4.704 4.740 -0.000 0.000 0.186 16 N C 0.050 175.575 175.510 0.026 0.000 1.027 16 N CA 1.172 54.245 53.050 0.038 0.000 0.849 16 N CB 0.273 38.782 38.487 0.037 0.000 1.002 16 N HN 0.451 nan 8.380 nan 0.000 0.425 17 K N -0.269 120.147 120.400 0.026 0.000 2.523 17 K HA 0.603 4.923 4.320 -0.000 0.000 0.257 17 K C -1.933 174.669 176.600 0.003 0.000 0.932 17 K CA -0.573 55.719 56.287 0.008 0.000 0.812 17 K CB 2.296 34.801 32.500 0.008 0.000 1.326 17 K HN -0.002 nan 8.250 nan 0.000 0.433 18 A N 2.283 125.084 122.820 -0.033 0.000 2.413 18 A HA 0.701 5.021 4.320 -0.000 0.000 0.307 18 A C -1.581 175.938 177.584 -0.109 0.000 1.087 18 A CA -0.727 51.277 52.037 -0.055 0.000 0.750 18 A CB 2.009 20.965 19.000 -0.073 0.000 1.296 18 A HN 0.432 nan 8.150 nan 0.000 0.423 19 V N 2.047 121.879 119.914 -0.137 0.000 2.604 19 V HA 0.678 4.798 4.120 -0.000 0.000 0.305 19 V C -1.190 174.690 176.094 -0.357 0.000 1.043 19 V CA -0.422 61.711 62.300 -0.278 0.000 0.888 19 V CB 1.854 33.497 31.823 -0.300 0.000 0.995 19 V HN 0.765 nan 8.190 nan 0.000 0.429 20 V N 7.474 127.114 119.914 -0.456 0.000 2.350 20 V HA 0.452 4.572 4.120 -0.000 0.000 0.285 20 V C -0.557 175.236 176.094 -0.502 0.000 1.014 20 V CA -0.371 61.689 62.300 -0.400 0.000 0.831 20 V CB 1.211 32.848 31.823 -0.309 0.000 1.000 20 V HN 0.759 nan 8.190 nan 0.000 0.433 21 F N 3.519 123.279 119.950 -0.317 0.000 2.423 21 F HA 0.654 5.181 4.527 -0.000 0.000 0.356 21 F C 1.027 176.767 175.800 -0.100 0.000 1.170 21 F CA 0.062 57.914 58.000 -0.247 0.000 1.163 21 F CB 1.159 39.764 39.000 -0.659 0.000 1.318 21 F HN 0.655 nan 8.300 nan 0.000 0.569 22 G N 0.856 109.732 108.800 0.127 0.000 1.968 22 G HA2 0.149 4.109 3.960 -0.000 0.000 0.183 22 G HA3 0.149 4.109 3.960 -0.000 0.000 0.183 22 G C -0.033 174.877 174.900 0.018 0.000 1.665 22 G CA -0.431 44.725 45.100 0.094 0.000 1.015 22 G HN 0.588 nan 8.290 nan 0.000 0.624 23 S N 0.684 116.418 115.700 0.057 0.000 2.557 23 S HA 0.517 4.987 4.470 -0.000 0.000 0.223 23 S C 1.382 176.026 174.600 0.074 0.000 0.969 23 S CA 0.586 58.858 58.200 0.121 0.000 0.927 23 S CB 0.818 64.195 63.200 0.295 0.000 0.806 23 S HN 1.412 nan 8.310 nan 0.000 0.489 24 G N 0.914 109.649 108.800 -0.109 0.000 2.516 24 G HA2 0.531 4.491 3.960 -0.000 0.000 0.276 24 G HA3 0.531 4.491 3.960 -0.000 0.000 0.276 24 G C 1.153 176.110 174.900 0.094 0.000 1.390 24 G CA -0.307 44.659 45.100 -0.224 0.000 1.050 24 G HN 0.417 nan 8.290 nan 0.000 0.519 25 A N -0.913 122.006 122.820 0.165 0.000 1.892 25 A HA -0.076 4.244 4.320 -0.000 0.000 0.218 25 A C 2.139 179.872 177.584 0.248 0.000 1.188 25 A CA 1.961 54.132 52.037 0.223 0.000 0.631 25 A CB -0.603 18.532 19.000 0.226 0.000 0.822 25 A HN 0.617 nan 8.150 nan 0.000 0.447 26 F N 0.197 120.193 119.950 0.077 0.000 2.270 26 F HA 0.123 4.650 4.527 -0.001 0.000 0.295 26 F C 2.366 178.191 175.800 0.042 0.000 1.087 26 F CA 0.847 58.890 58.000 0.073 0.000 1.365 26 F CB -0.154 38.898 39.000 0.087 0.000 1.056 26 F HN 0.285 nan 8.300 nan 0.000 0.506 27 G N -0.587 108.216 108.800 0.004 0.000 2.418 27 G HA2 -0.237 3.722 3.960 -0.000 0.000 0.217 27 G HA3 -0.237 3.722 3.960 -0.000 0.000 0.217 27 G C 1.577 176.396 174.900 -0.135 0.000 1.158 27 G CA 1.434 46.465 45.100 -0.115 0.000 0.771 27 G HN 0.323 nan 8.290 nan 0.000 0.545 28 T N 1.593 116.139 114.554 -0.013 0.000 2.777 28 T HA 0.055 4.405 4.350 -0.000 0.000 0.266 28 T C 2.826 177.507 174.700 -0.033 0.000 1.040 28 T CA 1.410 63.534 62.100 0.041 0.000 1.141 28 T CB -0.341 68.638 68.868 0.185 0.000 0.868 28 T HN 0.366 nan 8.240 nan 0.000 0.444 29 A N 1.271 124.062 122.820 -0.049 0.000 1.902 29 A HA 0.019 4.339 4.320 -0.000 0.000 0.217 29 A C 2.279 179.719 177.584 -0.241 0.000 1.181 29 A CA 1.191 53.181 52.037 -0.079 0.000 0.623 29 A CB -0.822 18.197 19.000 0.032 0.000 0.818 29 A HN 0.476 nan 8.150 nan 0.000 0.443 30 L N -0.981 119.993 121.223 -0.414 0.000 2.156 30 L HA -0.127 4.213 4.340 -0.000 0.000 0.208 30 L C 3.033 179.708 176.870 -0.324 0.000 1.095 30 L CA 0.753 55.307 54.840 -0.478 0.000 0.770 30 L CB -0.495 41.214 42.059 -0.584 0.000 0.914 30 L HN 0.450 nan 8.230 nan 0.000 0.439 31 A N -0.190 122.484 122.820 -0.243 0.000 1.933 31 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 31 A C 2.316 179.816 177.584 -0.141 0.000 1.175 31 A CA 1.413 53.339 52.037 -0.185 0.000 0.628 31 A CB -0.307 18.592 19.000 -0.168 0.000 0.814 31 A HN 0.252 nan 8.150 nan 0.000 0.444 32 M N -0.518 119.008 119.600 -0.123 0.000 2.175 32 M HA -0.089 4.391 4.480 -0.000 0.000 0.264 32 M C 2.215 178.442 176.300 -0.123 0.000 1.063 32 M CA 1.181 56.429 55.300 -0.087 0.000 1.119 32 M CB -1.224 31.345 32.600 -0.052 0.000 1.377 32 M HN 0.259 nan 8.290 nan 0.000 0.415 33 V N 0.622 120.404 119.914 -0.221 0.000 2.261 33 V HA -0.254 3.866 4.120 -0.000 0.000 0.246 33 V C 2.499 178.474 176.094 -0.199 0.000 1.047 33 V CA 1.503 63.632 62.300 -0.285 0.000 1.015 33 V CB -0.698 30.751 31.823 -0.623 0.000 0.642 33 V HN 0.392 nan 8.190 nan 0.000 0.446 34 L N 0.907 122.010 121.223 -0.200 0.000 2.191 34 L HA -0.145 4.195 4.340 -0.000 0.000 0.212 34 L C 2.677 179.501 176.870 -0.077 0.000 1.103 34 L CA 1.558 56.317 54.840 -0.135 0.000 0.769 34 L CB -0.628 41.346 42.059 -0.142 0.000 0.908 34 L HN 0.571 nan 8.230 nan 0.000 0.438 35 S N -0.342 115.315 115.700 -0.072 0.000 2.419 35 S HA -0.215 4.255 4.470 -0.000 0.000 0.235 35 S C 1.822 176.419 174.600 -0.005 0.000 1.019 35 S CA 0.995 59.175 58.200 -0.034 0.000 0.982 35 S CB -0.274 62.909 63.200 -0.029 0.000 0.789 35 S HN 0.437 nan 8.310 nan 0.000 0.490 36 K N 0.483 120.881 120.400 -0.004 0.000 2.366 36 K HA 0.169 4.489 4.320 -0.000 0.000 0.198 36 K C 1.580 178.236 176.600 0.093 0.000 1.044 36 K CA 0.576 56.886 56.287 0.038 0.000 0.973 36 K CB 0.109 32.628 32.500 0.032 0.000 0.767 36 K HN 0.196 nan 8.250 nan 0.000 0.475 37 K N -0.525 119.911 120.400 0.062 0.000 2.367 37 K HA 0.164 4.483 4.320 -0.000 0.000 0.195 37 K C 0.242 176.923 176.600 0.135 0.000 1.060 37 K CA 0.208 56.557 56.287 0.103 0.000 1.022 37 K CB 0.674 33.150 32.500 -0.040 0.000 0.894 37 K HN 0.020 nan 8.250 nan 0.000 0.540 38 C N 0.548 119.889 119.300 0.068 0.000 2.634 38 C HA 0.421 4.880 4.460 -0.000 0.000 0.313 38 C C 1.892 176.902 174.990 0.033 0.000 1.198 38 C CA -1.037 58.010 59.018 0.048 0.000 1.605 38 C CB 2.483 30.226 27.740 0.004 0.000 2.196 38 C HN 0.407 nan 8.230 nan 0.000 0.486 39 R N 0.946 121.463 120.500 0.028 0.000 2.092 39 R HA -0.048 4.292 4.340 -0.000 0.000 0.231 39 R C 0.578 176.878 176.300 0.000 0.000 1.119 39 R CA 1.578 57.686 56.100 0.013 0.000 0.970 39 R CB 0.192 30.498 30.300 0.010 0.000 0.864 39 R HN 0.857 nan 8.270 nan 0.000 0.440 40 E N -0.271 119.925 120.200 -0.007 0.000 2.308 40 E HA 0.300 4.649 4.350 -0.000 0.000 0.275 40 E C -1.813 174.763 176.600 -0.040 0.000 0.890 40 E CA -0.819 55.568 56.400 -0.021 0.000 0.754 40 E CB 2.311 31.999 29.700 -0.020 0.000 1.207 40 E HN -0.050 nan 8.360 nan 0.000 0.426 41 V N 3.408 123.287 119.914 -0.058 0.000 2.531 41 V HA 0.382 4.502 4.120 -0.000 0.000 0.301 41 V C -0.537 175.481 176.094 -0.128 0.000 1.034 41 V CA -0.803 61.438 62.300 -0.098 0.000 0.865 41 V CB 1.496 33.256 31.823 -0.105 0.000 0.995 41 V HN 0.838 nan 8.190 nan 0.000 0.424 42 C N 4.715 123.911 119.300 -0.174 0.000 2.329 42 C HA 0.750 5.210 4.460 -0.000 0.000 0.329 42 C C 0.172 174.952 174.990 -0.349 0.000 1.275 42 C CA -0.626 58.260 59.018 -0.220 0.000 1.726 42 C CB 1.233 28.858 27.740 -0.191 0.000 2.291 42 C HN 0.655 nan 8.230 nan 0.000 0.514 43 V N 2.939 122.569 119.914 -0.473 0.000 2.409 43 V HA 0.325 4.445 4.120 -0.000 0.000 0.291 43 V C -0.561 175.244 176.094 -0.480 0.000 1.020 43 V CA -0.525 61.382 62.300 -0.655 0.000 0.848 43 V CB 1.290 32.352 31.823 -1.268 0.000 0.990 43 V HN 0.939 nan 8.190 nan 0.000 0.430 44 W N 5.662 126.673 121.300 -0.482 0.000 2.338 44 W HA 0.615 5.275 4.660 0.000 0.000 0.307 44 W C -0.325 176.204 176.519 0.017 0.000 1.167 44 W CA 0.028 57.254 57.345 -0.199 0.000 1.208 44 W CB 0.665 30.035 29.460 -0.150 0.000 1.228 44 W HN 0.731 nan 8.180 nan 0.000 0.499 45 H N 5.956 124.500 119.070 -0.877 0.000 2.690 45 H HA 0.224 4.780 4.556 0.000 0.000 0.368 45 H C 1.155 175.725 175.328 -1.264 0.000 1.150 45 H CA -0.651 54.901 56.048 -0.826 0.000 1.174 45 H CB 1.898 31.564 29.762 -0.161 0.000 1.684 45 H HN 0.590 nan 8.280 nan 0.000 0.538 46 M N 1.485 120.105 119.600 -1.633 0.000 2.476 46 M HA 0.092 4.572 4.480 -0.000 0.000 0.262 46 M C -0.165 175.820 176.300 -0.524 0.000 1.079 46 M CA 1.045 55.763 55.300 -0.969 0.000 1.104 46 M CB 0.312 32.615 32.600 -0.496 0.000 1.409 46 M HN 0.267 nan 8.290 nan 0.000 0.467 47 N N 1.596 119.955 118.700 -0.567 0.000 2.443 47 N HA 0.077 4.817 4.740 -0.000 0.000 0.269 47 N C -0.029 175.474 175.510 -0.012 0.000 0.985 47 N CA 0.093 53.040 53.050 -0.171 0.000 0.921 47 N CB 1.794 40.237 38.487 -0.074 0.000 1.195 47 N HN 0.124 nan 8.380 nan 0.000 0.492 48 E N 2.979 123.171 120.200 -0.014 0.000 2.106 48 E HA -0.165 4.185 4.350 -0.000 0.000 0.192 48 E C 1.294 177.905 176.600 0.019 0.000 0.984 48 E CA 1.496 57.903 56.400 0.011 0.000 0.806 48 E CB 0.046 29.752 29.700 0.009 0.000 0.750 48 E HN 0.777 nan 8.360 nan 0.000 0.458 49 E N 0.080 120.287 120.200 0.012 0.000 2.077 49 E HA -0.229 4.120 4.350 -0.000 0.000 0.193 49 E C 1.806 178.402 176.600 -0.005 0.000 0.989 49 E CA 1.294 57.694 56.400 -0.000 0.000 0.800 49 E CB -0.035 29.662 29.700 -0.005 0.000 0.746 49 E HN 0.395 nan 8.360 nan 0.000 0.452 50 E N -0.218 119.997 120.200 0.025 0.000 2.106 50 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 50 E C 2.176 178.748 176.600 -0.048 0.000 0.984 50 E CA 0.929 57.328 56.400 -0.003 0.000 0.806 50 E CB 0.178 29.934 29.700 0.093 0.000 0.750 50 E HN 0.116 nan 8.360 nan 0.000 0.458 51 V N 1.309 121.253 119.914 0.049 0.000 2.287 51 V HA -0.309 3.811 4.120 -0.000 0.000 0.248 51 V C 2.237 178.312 176.094 -0.032 0.000 1.053 51 V CA 1.942 64.263 62.300 0.034 0.000 1.027 51 V CB -0.410 31.470 31.823 0.095 0.000 0.646 51 V HN 0.212 nan 8.190 nan 0.000 0.447 52 R N -0.733 119.753 120.500 -0.023 0.000 2.081 52 R HA -0.157 4.183 4.340 -0.000 0.000 0.235 52 R C 2.210 178.468 176.300 -0.070 0.000 1.131 52 R CA 1.530 57.609 56.100 -0.035 0.000 0.960 52 R CB -0.567 29.720 30.300 -0.023 0.000 0.856 52 R HN 0.394 nan 8.270 nan 0.000 0.436 53 L N 0.673 121.843 121.223 -0.089 0.000 2.017 53 L HA -0.150 4.190 4.340 -0.000 0.000 0.208 53 L C 2.051 178.821 176.870 -0.167 0.000 1.073 53 L CA 1.631 56.402 54.840 -0.115 0.000 0.745 53 L CB -0.359 41.629 42.059 -0.119 0.000 0.894 53 L HN -0.085 nan 8.230 nan 0.000 0.432 54 V N 0.290 120.056 119.914 -0.248 0.000 2.343 54 V HA -0.267 3.853 4.120 -0.000 0.000 0.247 54 V C 2.414 178.331 176.094 -0.295 0.000 1.051 54 V CA 1.884 63.952 62.300 -0.387 0.000 1.036 54 V CB -0.896 30.465 31.823 -0.769 0.000 0.654 54 V HN 0.519 nan 8.190 nan 0.000 0.451 55 N N -0.131 118.452 118.700 -0.194 0.000 2.166 55 N HA -0.176 4.564 4.740 -0.000 0.000 0.186 55 N C 1.928 177.393 175.510 -0.074 0.000 1.019 55 N CA 1.418 54.414 53.050 -0.090 0.000 0.856 55 N CB -0.264 38.208 38.487 -0.024 0.000 0.993 55 N HN 0.602 nan 8.380 nan 0.000 0.426 56 E N 1.148 121.300 120.200 -0.079 0.000 2.072 56 E HA -0.112 4.238 4.350 -0.000 0.000 0.191 56 E C 0.992 177.552 176.600 -0.068 0.000 0.985 56 E CA 0.905 57.268 56.400 -0.062 0.000 0.801 56 E CB 0.187 29.852 29.700 -0.058 0.000 0.750 56 E HN 0.225 nan 8.360 nan 0.000 0.452 57 K N 0.266 120.610 120.400 -0.092 0.000 2.432 57 K HA 0.019 4.339 4.320 -0.000 0.000 0.196 57 K C 0.222 176.770 176.600 -0.085 0.000 1.038 57 K CA 0.027 56.261 56.287 -0.089 0.000 0.986 57 K CB 0.176 32.611 32.500 -0.109 0.000 0.782 57 K HN 0.080 nan 8.250 nan 0.000 0.485 58 R N 1.347 121.792 120.500 -0.091 0.000 3.322 58 R HA -0.188 4.152 4.340 -0.000 0.000 0.253 58 R C -0.436 175.815 176.300 -0.083 0.000 0.987 58 R CA 0.788 56.844 56.100 -0.073 0.000 0.666 58 R CB -2.164 28.112 30.300 -0.041 0.000 1.072 58 R HN 0.541 nan 8.270 nan 0.000 0.447 59 E N 0.080 120.198 120.200 -0.137 0.000 2.481 59 E HA 0.076 4.426 4.350 -0.000 0.000 0.301 59 E C -1.221 175.248 176.600 -0.219 0.000 0.948 59 E CA -0.392 55.930 56.400 -0.130 0.000 0.804 59 E CB 1.040 30.683 29.700 -0.096 0.000 1.265 59 E HN 0.291 nan 8.360 nan 0.000 0.406 60 N N 4.244 122.817 118.700 -0.212 0.000 2.671 60 N HA 0.036 4.775 4.740 -0.000 0.000 0.274 60 N C 1.234 176.638 175.510 -0.177 0.000 1.188 60 N CA 0.058 52.951 53.050 -0.261 0.000 1.065 60 N CB 0.481 38.901 38.487 -0.111 0.000 1.415 60 N HN 0.362 nan 8.380 nan 0.000 0.511 61 V N 1.523 121.307 119.914 -0.216 0.000 3.141 61 V HA -0.118 4.002 4.120 -0.000 0.000 0.265 61 V C 1.655 177.604 176.094 -0.243 0.000 1.126 61 V CA 0.944 63.134 62.300 -0.184 0.000 1.141 61 V CB -0.650 31.073 31.823 -0.166 0.000 0.743 61 V HN 0.547 nan 8.190 nan 0.000 0.492 62 L N -1.265 119.751 121.223 -0.345 0.000 2.049 62 L HA 0.172 4.512 4.340 -0.000 0.000 0.203 62 L C 2.182 178.601 176.870 -0.751 0.000 1.074 62 L CA 1.820 56.275 54.840 -0.642 0.000 0.749 62 L CB -0.378 41.167 42.059 -0.857 0.000 0.907 62 L HN 0.319 nan 8.230 nan 0.000 0.439 63 F N -2.160 117.758 119.950 -0.053 0.000 2.831 63 F HA 0.274 4.801 4.527 0.000 0.000 0.334 63 F C 0.342 176.154 175.800 0.021 0.000 1.071 63 F CA -0.229 57.774 58.000 0.005 0.000 1.172 63 F CB 1.122 40.145 39.000 0.037 0.000 1.054 63 F HN -0.155 nan 8.300 nan 0.000 0.572 64 L N 1.546 122.846 121.223 0.128 0.000 2.574 64 L HA 0.346 4.685 4.340 -0.000 0.000 0.258 64 L C -0.341 176.544 176.870 0.024 0.000 1.520 64 L CA -0.255 54.641 54.840 0.092 0.000 0.775 64 L CB 0.059 42.188 42.059 0.117 0.000 1.028 64 L HN -0.171 nan 8.230 nan 0.000 0.516 65 K N 0.665 121.063 120.400 -0.003 0.000 2.448 65 K HA 0.467 4.787 4.320 -0.000 0.000 0.278 65 K C 1.153 177.745 176.600 -0.013 0.000 1.009 65 K CA 0.888 57.158 56.287 -0.029 0.000 0.995 65 K CB 0.402 32.878 32.500 -0.040 0.000 0.917 65 K HN 0.616 nan 8.250 nan 0.000 0.481 66 G N 0.811 109.598 108.800 -0.021 0.000 2.175 66 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.244 66 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.244 66 G C -0.185 174.712 174.900 -0.004 0.000 0.982 66 G CA -0.164 44.928 45.100 -0.013 0.000 0.641 66 G HN 0.419 nan 8.290 nan 0.000 0.527 67 V N 1.641 121.554 119.914 -0.002 0.000 2.334 67 V HA 0.481 4.601 4.120 -0.000 0.000 0.281 67 V C 0.549 176.641 176.094 -0.002 0.000 1.016 67 V CA -0.532 61.773 62.300 0.008 0.000 0.832 67 V CB 1.603 33.442 31.823 0.026 0.000 0.999 67 V HN 0.457 nan 8.190 nan 0.000 0.439 68 Q N 4.263 124.061 119.800 -0.003 0.000 2.297 68 Q HA 0.355 4.695 4.340 -0.000 0.000 0.267 68 Q C -0.594 175.408 176.000 0.002 0.000 1.006 68 Q CA -0.275 55.523 55.803 -0.008 0.000 0.896 68 Q CB 0.693 29.427 28.738 -0.007 0.000 1.186 68 Q HN 0.663 nan 8.270 nan 0.000 0.392 69 L N 3.131 124.354 121.223 0.001 0.000 2.456 69 L HA 0.241 4.581 4.340 -0.000 0.000 0.272 69 L C 0.501 177.382 176.870 0.017 0.000 1.189 69 L CA -0.495 54.359 54.840 0.023 0.000 0.846 69 L CB 0.516 42.600 42.059 0.041 0.000 1.111 69 L HN 0.733 nan 8.230 nan 0.000 0.475 70 A N 1.911 124.743 122.820 0.020 0.000 2.466 70 A HA 0.151 4.471 4.320 -0.000 0.000 0.238 70 A C 1.319 178.912 177.584 0.015 0.000 1.074 70 A CA 0.288 52.333 52.037 0.012 0.000 0.774 70 A CB 0.341 19.345 19.000 0.006 0.000 1.015 70 A HN 0.934 nan 8.150 nan 0.000 0.498 71 S N 1.189 116.894 115.700 0.008 0.000 2.419 71 S HA -0.186 4.284 4.470 -0.000 0.000 0.233 71 S C 1.110 175.715 174.600 0.008 0.000 1.016 71 S CA 1.281 59.486 58.200 0.007 0.000 0.974 71 S CB -0.518 62.684 63.200 0.003 0.000 0.786 71 S HN 0.926 nan 8.310 nan 0.000 0.492 72 N N 1.458 120.161 118.700 0.005 0.000 2.370 72 N HA 0.151 4.891 4.740 -0.000 0.000 0.198 72 N C -0.118 175.388 175.510 -0.005 0.000 1.156 72 N CA -0.104 52.946 53.050 -0.001 0.000 0.839 72 N CB -0.516 37.969 38.487 -0.004 0.000 0.989 72 N HN 0.507 nan 8.380 nan 0.000 0.468 73 I N 0.775 121.351 120.570 0.011 0.000 2.354 73 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 73 I C -0.402 175.756 176.117 0.068 0.000 0.989 73 I CA -0.402 60.910 61.300 0.019 0.000 1.188 73 I CB 1.658 39.689 38.000 0.052 0.000 1.342 73 I HN -0.145 nan 8.210 nan 0.000 0.457 74 T N 5.659 120.238 114.554 0.042 0.000 2.848 74 T HA 0.512 4.862 4.350 -0.000 0.000 0.285 74 T C -0.496 174.263 174.700 0.098 0.000 0.995 74 T CA -0.456 61.703 62.100 0.098 0.000 0.970 74 T CB 1.077 69.964 68.868 0.033 0.000 0.976 74 T HN 0.034 nan 8.240 nan 0.000 0.441 75 F N 1.856 121.777 119.950 -0.049 0.000 2.375 75 F HA 0.678 5.205 4.527 0.000 0.000 0.333 75 F C 1.102 176.880 175.800 -0.036 0.000 1.104 75 F CA -0.334 57.636 58.000 -0.049 0.000 1.149 75 F CB 1.681 40.645 39.000 -0.059 0.000 1.190 75 F HN 0.463 nan 8.300 nan 0.000 0.533 76 T N -0.602 114.004 114.554 0.088 0.000 2.853 76 T HA 0.382 4.732 4.350 -0.000 0.000 0.311 76 T C 0.069 174.780 174.700 0.018 0.000 1.307 76 T CA -0.205 61.936 62.100 0.068 0.000 1.019 76 T CB 1.215 70.118 68.868 0.058 0.000 1.264 76 T HN 0.591 nan 8.240 nan 0.000 0.497 77 S N 1.365 117.084 115.700 0.032 0.000 2.539 77 S HA 0.249 4.719 4.470 -0.000 0.000 0.221 77 S C 0.106 174.901 174.600 0.324 0.000 0.987 77 S CA -0.333 57.855 58.200 -0.021 0.000 0.929 77 S CB 0.091 63.268 63.200 -0.038 0.000 0.832 77 S HN 0.676 nan 8.310 nan 0.000 0.492 78 D N 1.600 122.183 120.400 0.305 0.000 2.359 78 D HA 0.288 4.928 4.640 -0.000 0.000 0.230 78 D C 1.170 177.647 176.300 0.294 0.000 1.118 78 D CA -0.300 53.850 54.000 0.251 0.000 0.844 78 D CB 1.791 42.649 40.800 0.097 0.000 1.059 78 D HN -0.025 nan 8.370 nan 0.000 0.493 79 V N 4.417 124.488 119.914 0.262 0.000 2.407 79 V HA -0.231 3.889 4.120 -0.000 0.000 0.248 79 V C 2.271 178.354 176.094 -0.018 0.000 1.055 79 V CA 1.716 64.103 62.300 0.146 0.000 1.049 79 V CB -0.301 31.514 31.823 -0.013 0.000 0.662 79 V HN 0.634 nan 8.190 nan 0.000 0.455 80 E N 0.475 120.545 120.200 -0.216 0.000 2.072 80 E HA -0.203 4.147 4.350 -0.000 0.000 0.190 80 E C 2.046 178.232 176.600 -0.691 0.000 0.982 80 E CA 0.896 56.854 56.400 -0.737 0.000 0.803 80 E CB -0.409 29.075 29.700 -0.361 0.000 0.755 80 E HN 0.530 nan 8.360 nan 0.000 0.453 81 K N 1.044 121.261 120.400 -0.305 0.000 2.097 81 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 81 K C 2.287 178.754 176.600 -0.222 0.000 1.049 81 K CA 1.321 57.478 56.287 -0.217 0.000 0.933 81 K CB -0.231 32.214 32.500 -0.093 0.000 0.717 81 K HN 0.158 nan 8.250 nan 0.000 0.442 82 A N 1.325 124.044 122.820 -0.168 0.000 1.858 82 A HA -0.204 4.116 4.320 -0.000 0.000 0.216 82 A C 2.117 179.593 177.584 -0.180 0.000 1.190 82 A CA 1.803 53.743 52.037 -0.161 0.000 0.617 82 A CB -0.854 18.068 19.000 -0.131 0.000 0.827 82 A HN 0.544 nan 8.150 nan 0.000 0.443 83 Y N -0.531 119.715 120.300 -0.090 0.000 2.519 83 Y HA 0.239 4.789 4.550 -0.000 0.000 0.287 83 Y C 0.601 176.282 175.900 -0.366 0.000 1.128 83 Y CA -0.641 57.378 58.100 -0.135 0.000 1.282 83 Y CB -1.174 37.299 38.460 0.022 0.000 1.027 83 Y HN 0.232 nan 8.280 nan 0.000 0.551 84 N N 1.880 120.317 118.700 -0.439 0.000 2.440 84 N HA 0.225 4.965 4.740 -0.000 0.000 0.265 84 N C 1.263 176.682 175.510 -0.152 0.000 1.239 84 N CA 1.520 54.346 53.050 -0.372 0.000 0.909 84 N CB 0.306 38.598 38.487 -0.324 0.000 1.066 84 N HN 0.721 nan 8.380 nan 0.000 0.474 85 G N 1.735 110.512 108.800 -0.039 0.000 2.184 85 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.264 85 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.264 85 G C 0.307 175.303 174.900 0.160 0.000 0.975 85 G CA 0.367 45.534 45.100 0.112 0.000 0.642 85 G HN 1.000 nan 8.290 nan 0.000 0.536 86 A N -0.034 122.887 122.820 0.168 0.000 2.511 86 A HA 0.582 4.901 4.320 -0.000 0.000 0.242 86 A C 0.938 178.664 177.584 0.237 0.000 1.069 86 A CA 1.228 53.369 52.037 0.174 0.000 0.763 86 A CB 0.188 19.284 19.000 0.160 0.000 1.001 86 A HN 0.544 nan 8.150 nan 0.000 0.498 87 E N 0.939 121.217 120.200 0.130 0.000 2.489 87 E HA 0.341 4.690 4.350 -0.000 0.000 0.204 87 E C -0.203 176.437 176.600 0.067 0.000 1.006 87 E CA 0.149 56.607 56.400 0.096 0.000 0.936 87 E CB 0.605 30.345 29.700 0.067 0.000 1.002 87 E HN 0.671 nan 8.360 nan 0.000 0.488 88 I N 0.759 121.366 120.570 0.062 0.000 2.827 88 I HA 0.364 4.534 4.170 -0.000 0.000 0.298 88 I C -1.791 174.350 176.117 0.039 0.000 1.235 88 I CA -0.990 60.336 61.300 0.044 0.000 1.021 88 I CB 1.982 39.990 38.000 0.013 0.000 1.259 88 I HN -0.154 nan 8.210 nan 0.000 0.427 89 I N 7.059 127.656 120.570 0.045 0.000 2.436 89 I HA 0.394 4.564 4.170 -0.000 0.000 0.289 89 I C -1.306 174.779 176.117 -0.053 0.000 1.010 89 I CA -0.667 60.636 61.300 0.004 0.000 1.098 89 I CB 1.873 39.924 38.000 0.086 0.000 1.266 89 I HN 0.294 nan 8.210 nan 0.000 0.434 90 L N 6.386 127.515 121.223 -0.157 0.000 2.322 90 L HA 0.507 4.847 4.340 -0.000 0.000 0.281 90 L C -0.962 175.761 176.870 -0.244 0.000 1.014 90 L CA -0.027 54.745 54.840 -0.114 0.000 0.815 90 L CB 1.305 43.297 42.059 -0.111 0.000 1.247 90 L HN 0.307 nan 8.230 nan 0.000 0.421 91 F N 3.287 123.309 119.950 0.120 0.000 2.411 91 F HA 0.469 4.996 4.527 -0.000 0.000 0.352 91 F C 0.450 176.313 175.800 0.105 0.000 1.123 91 F CA -0.453 57.613 58.000 0.109 0.000 1.044 91 F CB 1.332 40.408 39.000 0.127 0.000 1.135 91 F HN 0.095 nan 8.300 nan 0.000 0.461 92 V N 4.692 124.755 119.914 0.248 0.000 2.967 92 V HA 0.240 4.360 4.120 -0.000 0.000 0.364 92 V C 0.110 176.327 176.094 0.205 0.000 1.373 92 V CA -0.358 62.072 62.300 0.216 0.000 1.193 92 V CB -0.510 31.395 31.823 0.137 0.000 1.236 92 V HN 0.557 nan 8.190 nan 0.000 0.582 93 I N 2.990 123.698 120.570 0.230 0.000 2.441 93 I HA 0.301 4.471 4.170 -0.000 0.000 0.287 93 I C -2.093 174.150 176.117 0.210 0.000 1.049 93 I CA -1.764 59.668 61.300 0.220 0.000 1.381 93 I CB 1.461 39.574 38.000 0.189 0.000 1.409 93 I HN 0.094 nan 8.210 nan 0.000 0.523 94 P HA 0.008 nan 4.420 nan 0.000 0.267 94 P C 0.698 177.986 177.300 -0.019 0.000 1.200 94 P CA 0.079 63.236 63.100 0.095 0.000 0.772 94 P CB 0.445 32.202 31.700 0.094 0.000 0.855 95 T N 0.964 115.485 114.554 -0.055 0.000 2.653 95 T HA -0.211 4.139 4.350 -0.000 0.000 0.268 95 T C 1.435 176.066 174.700 -0.114 0.000 1.035 95 T CA 1.500 63.571 62.100 -0.047 0.000 1.154 95 T CB -0.438 68.405 68.868 -0.042 0.000 0.862 95 T HN 0.509 nan 8.240 nan 0.000 0.441 96 Q N -0.087 119.515 119.800 -0.330 0.000 2.472 96 Q HA 0.151 4.491 4.340 -0.000 0.000 0.208 96 Q C 1.343 177.211 176.000 -0.219 0.000 0.958 96 Q CA 0.645 56.255 55.803 -0.322 0.000 0.932 96 Q CB -0.245 28.251 28.738 -0.403 0.000 1.007 96 Q HN 0.684 nan 8.270 nan 0.000 0.508 97 F N -1.115 118.899 119.950 0.107 0.000 2.678 97 F HA 0.173 4.700 4.527 -0.001 0.000 0.305 97 F C 1.769 177.659 175.800 0.150 0.000 1.090 97 F CA -0.363 57.712 58.000 0.125 0.000 1.272 97 F CB 0.241 39.318 39.000 0.128 0.000 1.060 97 F HN -0.059 nan 8.300 nan 0.000 0.576 98 L N 0.548 121.924 121.223 0.256 0.000 2.017 98 L HA -0.203 4.137 4.340 -0.000 0.000 0.208 98 L C 2.836 179.890 176.870 0.306 0.000 1.073 98 L CA 1.508 56.497 54.840 0.249 0.000 0.745 98 L CB -0.364 41.808 42.059 0.189 0.000 0.894 98 L HN 0.146 nan 8.230 nan 0.000 0.432 99 R N -0.105 120.544 120.500 0.248 0.000 2.083 99 R HA -0.163 4.177 4.340 -0.000 0.000 0.237 99 R C 2.195 178.591 176.300 0.161 0.000 1.137 99 R CA 1.649 57.891 56.100 0.237 0.000 0.951 99 R CB -0.627 29.802 30.300 0.216 0.000 0.851 99 R HN 0.405 nan 8.270 nan 0.000 0.434 100 G N 0.321 109.227 108.800 0.177 0.000 2.469 100 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.219 100 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.219 100 G C 1.275 176.207 174.900 0.053 0.000 1.150 100 G CA 0.831 46.007 45.100 0.127 0.000 0.763 100 G HN 0.457 nan 8.290 nan 0.000 0.561 101 F N 0.738 120.659 119.950 -0.048 0.000 2.102 101 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 101 F C 2.282 177.824 175.800 -0.430 0.000 1.105 101 F CA 1.403 59.265 58.000 -0.230 0.000 1.239 101 F CB -0.260 38.556 39.000 -0.307 0.000 0.991 101 F HN 0.124 nan 8.300 nan 0.000 0.474 102 F N 1.019 120.686 119.950 -0.471 0.000 2.146 102 F HA -0.117 4.409 4.527 -0.000 0.000 0.298 102 F C 2.411 177.783 175.800 -0.713 0.000 1.096 102 F CA 1.725 59.209 58.000 -0.859 0.000 1.275 102 F CB -0.671 37.395 39.000 -1.557 0.000 1.008 102 F HN 0.009 nan 8.300 nan 0.000 0.480 103 E N 0.064 120.089 120.200 -0.292 0.000 2.077 103 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 103 E C 2.087 178.597 176.600 -0.149 0.000 0.989 103 E CA 1.305 57.636 56.400 -0.116 0.000 0.800 103 E CB -0.142 29.562 29.700 0.007 0.000 0.746 103 E HN 0.330 nan 8.360 nan 0.000 0.452 104 K N -0.026 120.245 120.400 -0.214 0.000 2.128 104 K HA 0.022 4.342 4.320 -0.000 0.000 0.202 104 K C 1.201 177.629 176.600 -0.286 0.000 1.050 104 K CA 1.242 57.417 56.287 -0.187 0.000 0.966 104 K CB 0.399 32.824 32.500 -0.125 0.000 0.759 104 K HN -0.054 nan 8.250 nan 0.000 0.454 105 S N -1.121 114.241 115.700 -0.563 0.000 2.780 105 S HA 0.183 4.653 4.470 -0.000 0.000 0.248 105 S C 0.874 175.000 174.600 -0.788 0.000 1.036 105 S CA -0.182 57.623 58.200 -0.659 0.000 1.061 105 S CB 1.644 64.363 63.200 -0.801 0.000 1.037 105 S HN 0.412 nan 8.310 nan 0.000 0.584 106 G N 1.305 109.665 108.800 -0.733 0.000 2.887 106 G HA2 0.329 4.289 3.960 -0.000 0.000 0.211 106 G HA3 0.329 4.289 3.960 -0.000 0.000 0.211 106 G C 1.205 175.984 174.900 -0.202 0.000 1.152 106 G CA 0.363 45.118 45.100 -0.575 0.000 0.769 106 G HN 0.472 nan 8.290 nan 0.000 0.541 107 G N 1.726 110.443 108.800 -0.139 0.000 2.491 107 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.218 107 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.218 107 G C 1.663 176.557 174.900 -0.011 0.000 1.180 107 G CA 1.179 46.257 45.100 -0.035 0.000 0.774 107 G HN 0.387 nan 8.290 nan 0.000 0.562 108 N N -0.005 118.695 118.700 0.000 0.000 2.300 108 N HA -0.018 4.722 4.740 -0.000 0.000 0.179 108 N C 2.000 177.458 175.510 -0.086 0.000 1.016 108 N CA 0.555 53.638 53.050 0.056 0.000 0.876 108 N CB -0.316 38.272 38.487 0.167 0.000 0.979 108 N HN 0.283 nan 8.380 nan 0.000 0.432 109 L N 1.105 122.215 121.223 -0.189 0.000 2.042 109 L HA -0.027 4.313 4.340 -0.000 0.000 0.210 109 L C 1.794 178.553 176.870 -0.186 0.000 1.076 109 L CA 1.374 55.924 54.840 -0.483 0.000 0.749 109 L CB -0.600 41.305 42.059 -0.255 0.000 0.893 109 L HN 0.066 nan 8.230 nan 0.000 0.432 110 I N -0.260 120.294 120.570 -0.027 0.000 2.179 110 I HA -0.307 3.863 4.170 -0.000 0.000 0.242 110 I C 2.620 178.745 176.117 0.014 0.000 1.088 110 I CA 1.368 62.701 61.300 0.056 0.000 1.357 110 I CB -0.678 37.385 38.000 0.105 0.000 1.051 110 I HN 0.378 nan 8.210 nan 0.000 0.409 111 A N -0.063 122.761 122.820 0.006 0.000 1.902 111 A HA -0.286 4.034 4.320 -0.000 0.000 0.217 111 A C 2.301 179.890 177.584 0.008 0.000 1.181 111 A CA 1.676 53.722 52.037 0.015 0.000 0.623 111 A CB -1.056 17.967 19.000 0.039 0.000 0.818 111 A HN 0.532 nan 8.150 nan 0.000 0.443 112 Y N 0.690 120.900 120.300 -0.149 0.000 2.114 112 Y HA -0.128 4.422 4.550 -0.000 0.000 0.284 112 Y C 2.686 178.532 175.900 -0.090 0.000 1.143 112 Y CA 1.498 59.507 58.100 -0.150 0.000 1.135 112 Y CB -0.749 37.468 38.460 -0.406 0.000 0.980 112 Y HN 0.299 nan 8.280 nan 0.000 0.499 113 A N 0.316 123.031 122.820 -0.175 0.000 1.908 113 A HA -0.239 4.081 4.320 -0.000 0.000 0.218 113 A C 2.320 179.810 177.584 -0.156 0.000 1.181 113 A CA 2.105 54.042 52.037 -0.165 0.000 0.627 113 A CB -0.756 18.264 19.000 0.033 0.000 0.818 113 A HN 0.542 nan 8.150 nan 0.000 0.445 114 K N -0.986 119.358 120.400 -0.094 0.000 2.002 114 K HA -0.160 4.160 4.320 -0.000 0.000 0.209 114 K C 2.184 178.727 176.600 -0.095 0.000 1.048 114 K CA 1.290 57.536 56.287 -0.068 0.000 0.930 114 K CB -0.142 32.339 32.500 -0.032 0.000 0.714 114 K HN 0.340 nan 8.250 nan 0.000 0.438 115 E N 1.107 121.239 120.200 -0.114 0.000 2.048 115 E HA -0.194 4.156 4.350 -0.000 0.000 0.202 115 E C 1.467 177.982 176.600 -0.143 0.000 1.021 115 E CA 1.554 57.891 56.400 -0.105 0.000 0.825 115 E CB 0.085 29.732 29.700 -0.088 0.000 0.756 115 E HN 0.107 nan 8.360 nan 0.000 0.454 116 K N 0.592 120.829 120.400 -0.272 0.000 2.404 116 K HA 0.053 4.373 4.320 -0.000 0.000 0.194 116 K C -0.055 176.437 176.600 -0.181 0.000 1.023 116 K CA -0.072 56.062 56.287 -0.255 0.000 1.094 116 K CB 0.492 32.728 32.500 -0.440 0.000 0.841 116 K HN 0.140 nan 8.250 nan 0.000 0.523 117 Q N 0.327 120.038 119.800 -0.149 0.000 2.439 117 Q HA -0.156 4.184 4.340 -0.000 0.000 0.325 117 Q C -0.526 175.433 176.000 -0.068 0.000 1.372 117 Q CA 0.522 56.275 55.803 -0.083 0.000 0.909 117 Q CB -2.329 26.378 28.738 -0.052 0.000 1.167 117 Q HN 0.044 nan 8.270 nan 0.000 0.418 118 V N 1.488 121.348 119.914 -0.091 0.000 2.488 118 V HA 0.170 4.289 4.120 -0.000 0.000 0.277 118 V C -1.606 174.500 176.094 0.021 0.000 1.046 118 V CA -1.139 61.139 62.300 -0.036 0.000 0.986 118 V CB 0.806 32.610 31.823 -0.031 0.000 0.989 118 V HN 0.159 nan 8.190 nan 0.000 0.475 119 P HA 0.111 nan 4.420 nan 0.000 0.265 119 P C -0.654 176.695 177.300 0.082 0.000 1.193 119 P CA 0.176 63.305 63.100 0.049 0.000 0.765 119 P CB 0.471 32.194 31.700 0.038 0.000 0.823 120 V N 4.907 124.888 119.914 0.111 0.000 2.495 120 V HA 0.352 4.472 4.120 -0.000 0.000 0.298 120 V C -0.134 176.056 176.094 0.160 0.000 1.031 120 V CA -0.594 61.810 62.300 0.173 0.000 0.871 120 V CB 1.674 33.657 31.823 0.267 0.000 0.988 120 V HN 0.327 nan 8.190 nan 0.000 0.432 121 L N 6.415 127.734 121.223 0.159 0.000 2.319 121 L HA 0.615 4.955 4.340 -0.000 0.000 0.281 121 L C -0.442 176.546 176.870 0.197 0.000 1.005 121 L CA -0.048 54.878 54.840 0.143 0.000 0.828 121 L CB 1.729 43.844 42.059 0.093 0.000 1.227 121 L HN 0.454 nan 8.230 nan 0.000 0.415 122 V N 5.299 125.335 119.914 0.203 0.000 2.385 122 V HA 0.173 4.293 4.120 -0.000 0.000 0.269 122 V C 0.549 176.769 176.094 0.209 0.000 1.043 122 V CA -0.257 62.184 62.300 0.235 0.000 0.906 122 V CB 0.845 32.782 31.823 0.189 0.000 0.995 122 V HN 1.020 nan 8.190 nan 0.000 0.467 123 C N 2.213 121.659 119.300 0.244 0.000 3.183 123 C HA 0.164 4.624 4.460 -0.000 0.000 0.285 123 C C 1.351 176.514 174.990 0.288 0.000 1.313 123 C CA -0.260 58.934 59.018 0.294 0.000 1.711 123 C CB -0.413 27.525 27.740 0.330 0.000 2.135 123 C HN 0.848 nan 8.230 nan 0.000 0.651 124 T N 2.632 117.328 114.554 0.237 0.000 2.918 124 T HA 0.209 4.559 4.350 -0.000 0.000 0.302 124 T C -0.136 174.650 174.700 0.144 0.000 1.045 124 T CA 0.698 62.912 62.100 0.189 0.000 1.114 124 T CB 0.375 69.351 68.868 0.180 0.000 0.965 124 T HN 0.425 nan 8.240 nan 0.000 0.540 125 K N 1.381 121.846 120.400 0.108 0.000 2.378 125 K HA 0.708 5.028 4.320 -0.000 0.000 0.252 125 K C 0.072 176.723 176.600 0.086 0.000 0.931 125 K CA -0.926 55.417 56.287 0.094 0.000 0.794 125 K CB 2.366 34.897 32.500 0.052 0.000 1.181 125 K HN 0.879 nan 8.250 nan 0.000 0.425 126 G N 1.620 110.489 108.800 0.115 0.000 2.369 126 G HA2 0.173 4.133 3.960 -0.000 0.000 0.293 126 G HA3 0.173 4.133 3.960 -0.000 0.000 0.293 126 G C -1.805 173.112 174.900 0.029 0.000 1.301 126 G CA -1.057 44.084 45.100 0.069 0.000 0.913 126 G HN 0.420 nan 8.290 nan 0.000 0.540 127 I N 0.570 121.091 120.570 -0.082 0.000 2.498 127 I HA 0.372 4.542 4.170 -0.000 0.000 0.290 127 I C 0.158 176.181 176.117 -0.157 0.000 1.032 127 I CA -0.673 60.480 61.300 -0.245 0.000 1.073 127 I CB 2.202 39.984 38.000 -0.363 0.000 1.251 127 I HN 0.693 nan 8.210 nan 0.000 0.426 128 E N 5.644 125.751 120.200 -0.155 0.000 2.360 128 E HA 0.135 4.485 4.350 -0.000 0.000 0.269 128 E C 0.897 177.444 176.600 -0.090 0.000 1.022 128 E CA -0.204 56.140 56.400 -0.093 0.000 0.887 128 E CB 0.913 30.575 29.700 -0.063 0.000 0.990 128 E HN 0.491 nan 8.360 nan 0.000 0.426 129 R N 1.890 122.358 120.500 -0.053 0.000 2.122 129 R HA -0.178 4.162 4.340 -0.000 0.000 0.236 129 R C 1.893 178.162 176.300 -0.052 0.000 1.129 129 R CA 2.356 58.433 56.100 -0.039 0.000 0.925 129 R CB -0.272 30.030 30.300 0.005 0.000 0.850 129 R HN 0.464 nan 8.270 nan 0.000 0.431 130 S N -0.909 114.770 115.700 -0.036 0.000 2.456 130 S HA -0.041 4.428 4.470 -0.000 0.000 0.224 130 S C 1.862 176.430 174.600 -0.054 0.000 1.035 130 S CA 1.136 59.313 58.200 -0.038 0.000 0.940 130 S CB 0.390 63.581 63.200 -0.014 0.000 0.799 130 S HN 0.567 nan 8.310 nan 0.000 0.508 131 T N 0.724 115.243 114.554 -0.058 0.000 3.067 131 T HA 0.210 4.559 4.350 -0.000 0.000 0.261 131 T C 0.878 175.518 174.700 -0.100 0.000 1.110 131 T CA 0.233 62.293 62.100 -0.067 0.000 1.113 131 T CB -0.647 68.188 68.868 -0.055 0.000 0.917 131 T HN 0.339 nan 8.240 nan 0.000 0.499 132 L N -0.772 120.370 121.223 -0.135 0.000 4.040 132 L HA -0.182 4.158 4.340 -0.000 0.000 0.410 132 L C -0.025 176.666 176.870 -0.299 0.000 1.187 132 L CA 0.481 55.194 54.840 -0.210 0.000 0.956 132 L CB -2.103 39.852 42.059 -0.174 0.000 2.022 132 L HN 0.368 nan 8.230 nan 0.000 0.897 133 K N 0.219 120.480 120.400 -0.232 0.000 2.143 133 K HA 0.588 4.908 4.320 -0.000 0.000 0.272 133 K C 0.086 176.522 176.600 -0.272 0.000 1.001 133 K CA -0.707 55.463 56.287 -0.195 0.000 0.915 133 K CB 0.930 33.388 32.500 -0.070 0.000 1.047 133 K HN -0.139 nan 8.250 nan 0.000 0.458 134 F N 2.242 122.181 119.950 -0.019 0.000 2.406 134 F HA 0.114 4.640 4.527 -0.000 0.000 0.327 134 F C -1.151 174.648 175.800 -0.002 0.000 1.153 134 F CA -1.828 56.166 58.000 -0.009 0.000 1.218 134 F CB 0.190 39.184 39.000 -0.011 0.000 1.215 134 F HN 0.457 nan 8.300 nan 0.000 0.570 135 P HA -0.240 nan 4.420 nan 0.000 0.216 135 P C 1.192 178.549 177.300 0.096 0.000 1.153 135 P CA 2.348 65.523 63.100 0.126 0.000 0.858 135 P CB -0.069 31.714 31.700 0.138 0.000 0.789 136 A N -0.311 122.574 122.820 0.109 0.000 2.015 136 A HA -0.210 4.110 4.320 -0.000 0.000 0.219 136 A C 2.093 179.694 177.584 0.030 0.000 1.163 136 A CA 1.508 53.583 52.037 0.063 0.000 0.646 136 A CB -1.063 17.972 19.000 0.058 0.000 0.806 136 A HN 0.207 nan 8.150 nan 0.000 0.448 137 E N -0.208 120.029 120.200 0.062 0.000 2.107 137 E HA -0.093 4.257 4.350 -0.000 0.000 0.191 137 E C 1.813 178.395 176.600 -0.029 0.000 0.982 137 E CA 0.991 57.404 56.400 0.023 0.000 0.809 137 E CB -0.260 29.484 29.700 0.073 0.000 0.756 137 E HN 0.705 nan 8.360 nan 0.000 0.459 138 I N 1.098 121.665 120.570 -0.006 0.000 2.127 138 I HA -0.299 3.871 4.170 -0.000 0.000 0.241 138 I C 2.381 178.460 176.117 -0.064 0.000 1.075 138 I CA 1.261 62.557 61.300 -0.006 0.000 1.334 138 I CB -0.325 37.707 38.000 0.053 0.000 1.040 138 I HN 0.101 nan 8.210 nan 0.000 0.405 139 I N 0.874 121.367 120.570 -0.128 0.000 2.286 139 I HA -0.188 3.982 4.170 -0.000 0.000 0.248 139 I C 2.582 178.550 176.117 -0.248 0.000 1.115 139 I CA 1.465 62.568 61.300 -0.328 0.000 1.392 139 I CB -0.796 37.058 38.000 -0.244 0.000 1.065 139 I HN 0.269 nan 8.210 nan 0.000 0.418 140 G N 0.199 108.909 108.800 -0.150 0.000 2.498 140 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.219 140 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.219 140 G C 1.434 176.206 174.900 -0.213 0.000 1.119 140 G CA 0.330 45.347 45.100 -0.137 0.000 0.766 140 G HN 0.443 nan 8.290 nan 0.000 0.552 141 E N -0.812 119.187 120.200 -0.335 0.000 2.274 141 E HA 0.018 4.368 4.350 -0.000 0.000 0.194 141 E C 1.389 177.521 176.600 -0.780 0.000 0.996 141 E CA 0.488 56.538 56.400 -0.583 0.000 0.840 141 E CB -0.038 29.170 29.700 -0.819 0.000 0.772 141 E HN 0.642 nan 8.360 nan 0.000 0.491 142 F N -0.410 119.337 119.950 -0.338 0.000 2.637 142 F HA 0.244 4.771 4.527 -0.000 0.000 0.284 142 F C 0.851 176.520 175.800 -0.219 0.000 1.105 142 F CA -0.092 57.712 58.000 -0.326 0.000 1.356 142 F CB 0.677 39.312 39.000 -0.609 0.000 1.096 142 F HN -0.196 nan 8.300 nan 0.000 0.616 143 L N 0.592 121.776 121.223 -0.066 0.000 2.333 143 L HA 0.494 4.834 4.340 -0.000 0.000 0.269 143 L C -2.476 174.370 176.870 -0.040 0.000 1.010 143 L CA -2.259 52.570 54.840 -0.019 0.000 0.818 143 L CB 1.606 43.678 42.059 0.022 0.000 1.306 143 L HN -0.326 nan 8.230 nan 0.000 0.430 144 P HA 0.022 nan 4.420 nan 0.000 0.268 144 P C 0.480 177.769 177.300 -0.018 0.000 1.204 144 P CA -0.175 62.909 63.100 -0.026 0.000 0.768 144 P CB 0.858 32.548 31.700 -0.017 0.000 0.842 145 S N 3.921 119.606 115.700 -0.026 0.000 2.400 145 S HA -0.104 4.366 4.470 -0.000 0.000 0.232 145 S C -0.833 173.765 174.600 -0.004 0.000 1.025 145 S CA 1.243 59.433 58.200 -0.017 0.000 0.993 145 S CB -2.252 60.933 63.200 -0.025 0.000 0.808 145 S HN 0.335 nan 8.310 nan 0.000 0.478 146 P HA 0.067 nan 4.420 nan 0.000 0.225 146 P C 1.025 178.331 177.300 0.010 0.000 1.148 146 P CA 0.745 63.845 63.100 0.000 0.000 0.779 146 P CB -0.181 31.516 31.700 -0.005 0.000 0.780 147 L N -2.044 119.189 121.223 0.017 0.000 2.558 147 L HA 0.100 4.440 4.340 -0.000 0.000 0.225 147 L C 0.757 177.661 176.870 0.056 0.000 1.128 147 L CA 0.047 54.907 54.840 0.033 0.000 0.868 147 L CB -0.285 41.797 42.059 0.038 0.000 1.006 147 L HN -0.046 nan 8.230 nan 0.000 0.454 148 L N -0.380 120.873 121.223 0.049 0.000 2.282 148 L HA 0.390 4.730 4.340 -0.000 0.000 0.288 148 L C -0.146 176.758 176.870 0.056 0.000 1.033 148 L CA -0.047 54.833 54.840 0.066 0.000 0.807 148 L CB 1.503 43.593 42.059 0.051 0.000 1.209 148 L HN -0.033 nan 8.230 nan 0.000 0.423 149 S N 1.763 117.506 115.700 0.073 0.000 2.671 149 S HA 0.736 5.206 4.470 -0.000 0.000 0.299 149 S C -0.655 173.993 174.600 0.079 0.000 1.116 149 S CA -0.615 57.623 58.200 0.062 0.000 0.912 149 S CB 2.750 65.986 63.200 0.059 0.000 1.130 149 S HN 0.250 nan 8.310 nan 0.000 0.501 150 V N 1.908 121.863 119.914 0.067 0.000 2.588 150 V HA 0.525 4.645 4.120 -0.000 0.000 0.304 150 V C -0.780 175.367 176.094 0.088 0.000 1.042 150 V CA -0.652 61.695 62.300 0.077 0.000 0.877 150 V CB 1.629 33.477 31.823 0.042 0.000 0.996 150 V HN 0.749 nan 8.190 nan 0.000 0.425 151 L N 4.506 125.804 121.223 0.124 0.000 2.307 151 L HA 0.941 5.281 4.340 -0.000 0.000 0.284 151 L C -0.104 176.849 176.870 0.140 0.000 1.023 151 L CA -0.010 54.919 54.840 0.149 0.000 0.810 151 L CB 1.336 43.520 42.059 0.207 0.000 1.231 151 L HN 0.840 nan 8.230 nan 0.000 0.423 152 A N 3.469 126.347 122.820 0.097 0.000 2.540 152 A HA 0.872 5.192 4.320 -0.000 0.000 0.297 152 A C -0.577 177.011 177.584 0.006 0.000 1.056 152 A CA 0.214 52.280 52.037 0.047 0.000 0.700 152 A CB 1.477 20.482 19.000 0.009 0.000 1.280 152 A HN 1.065 nan 8.150 nan 0.000 0.398 153 G N 0.823 109.605 108.800 -0.031 0.000 2.320 153 G HA2 0.608 4.568 3.960 -0.000 0.000 0.296 153 G HA3 0.608 4.568 3.960 -0.000 0.000 0.296 153 G C -3.509 171.315 174.900 -0.128 0.000 1.306 153 G CA -0.511 44.540 45.100 -0.081 0.000 0.836 153 G HN 0.582 nan 8.290 nan 0.000 0.517 154 P HA 0.294 nan 4.420 nan 0.000 0.273 154 P C -0.161 177.020 177.300 -0.198 0.000 1.428 154 P CA -0.018 62.944 63.100 -0.230 0.000 0.995 154 P CB 0.622 32.203 31.700 -0.198 0.000 1.286 155 S N 2.951 118.521 115.700 -0.217 0.000 2.486 155 S HA 0.336 4.806 4.470 -0.000 0.000 0.144 155 S C -0.217 174.406 174.600 0.038 0.000 1.542 155 S CA -0.727 57.469 58.200 -0.007 0.000 1.262 155 S CB -1.004 62.316 63.200 0.199 0.000 1.462 155 S HN 0.107 nan 8.310 nan 0.000 0.381 156 F N 1.921 121.895 119.950 0.040 0.000 2.612 156 F HA 0.183 4.711 4.527 0.001 0.000 0.389 156 F C 1.987 177.877 175.800 0.151 0.000 1.055 156 F CA -0.075 57.953 58.000 0.046 0.000 1.232 156 F CB 0.613 39.636 39.000 0.039 0.000 1.044 156 F HN 0.657 nan 8.300 nan 0.000 0.560 157 A N 4.174 127.242 122.820 0.412 0.000 1.917 157 A HA -0.244 4.075 4.320 -0.000 0.000 0.219 157 A C 2.021 179.766 177.584 0.268 0.000 1.182 157 A CA 1.842 54.130 52.037 0.417 0.000 0.633 157 A CB -0.641 18.587 19.000 0.379 0.000 0.819 157 A HN 0.789 nan 8.150 nan 0.000 0.448 158 I N -0.009 120.680 120.570 0.199 0.000 2.226 158 I HA -0.201 3.969 4.170 -0.000 0.000 0.245 158 I C 2.234 178.436 176.117 0.142 0.000 1.100 158 I CA 1.853 63.232 61.300 0.131 0.000 1.374 158 I CB -0.301 37.738 38.000 0.066 0.000 1.057 158 I HN 0.457 nan 8.210 nan 0.000 0.413 159 E N -0.534 119.778 120.200 0.186 0.000 2.072 159 E HA -0.163 4.187 4.350 -0.000 0.000 0.191 159 E C 2.296 179.009 176.600 0.188 0.000 0.985 159 E CA 1.527 58.036 56.400 0.183 0.000 0.801 159 E CB -0.169 29.659 29.700 0.214 0.000 0.750 159 E HN 0.350 nan 8.360 nan 0.000 0.452 160 V N 1.578 121.632 119.914 0.234 0.000 2.295 160 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 160 V C 2.364 178.524 176.094 0.110 0.000 1.049 160 V CA 1.945 64.379 62.300 0.224 0.000 1.024 160 V CB -0.713 31.294 31.823 0.305 0.000 0.648 160 V HN 0.310 nan 8.190 nan 0.000 0.447 161 A N 0.467 123.349 122.820 0.104 0.000 1.969 161 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 161 A C 2.246 179.860 177.584 0.051 0.000 1.169 161 A CA 2.174 54.243 52.037 0.053 0.000 0.635 161 A CB -0.702 18.341 19.000 0.070 0.000 0.810 161 A HN 0.644 nan 8.150 nan 0.000 0.445 162 T N -4.546 110.053 114.554 0.074 0.000 3.122 162 T HA 0.429 4.779 4.350 -0.000 0.000 0.250 162 T C 1.175 175.923 174.700 0.079 0.000 1.067 162 T CA 0.914 63.055 62.100 0.067 0.000 0.966 162 T CB 0.034 68.942 68.868 0.068 0.000 1.002 162 T HN 1.656 nan 8.240 nan 0.000 0.542 163 G N 1.008 109.863 108.800 0.092 0.000 2.147 163 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.244 163 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.244 163 G C -0.023 174.963 174.900 0.144 0.000 1.005 163 G CA -0.061 45.106 45.100 0.111 0.000 0.713 163 G HN 0.699 nan 8.290 nan 0.000 0.515 164 V N 0.837 120.843 119.914 0.153 0.000 2.583 164 V HA 0.492 4.612 4.120 -0.000 0.000 0.287 164 V C 1.054 177.280 176.094 0.219 0.000 1.051 164 V CA -0.711 61.697 62.300 0.180 0.000 1.010 164 V CB 1.029 32.948 31.823 0.160 0.000 0.988 164 V HN 0.418 nan 8.190 nan 0.000 0.478 165 F N 4.304 124.318 119.950 0.107 0.000 2.580 165 F HA 0.148 4.674 4.527 -0.001 0.000 0.398 165 F C 0.561 176.421 175.800 0.100 0.000 1.023 165 F CA 1.052 59.113 58.000 0.102 0.000 1.188 165 F CB 0.039 39.085 39.000 0.077 0.000 1.005 165 F HN 0.577 nan 8.300 nan 0.000 0.546 166 T N 5.885 120.066 114.554 -0.623 0.000 2.952 166 T HA 0.412 4.761 4.350 -0.000 0.000 0.305 166 T C -1.287 172.972 174.700 -0.734 0.000 1.064 166 T CA -0.605 61.218 62.100 -0.461 0.000 1.008 166 T CB 0.965 69.782 68.868 -0.085 0.000 1.078 166 T HN 0.630 nan 8.240 nan 0.000 0.459 167 C N 3.354 122.360 119.300 -0.490 0.000 2.382 167 C HA 0.919 5.378 4.460 -0.000 0.000 0.327 167 C C 0.290 175.129 174.990 -0.252 0.000 1.250 167 C CA -0.701 58.140 59.018 -0.295 0.000 1.707 167 C CB 0.210 27.911 27.740 -0.066 0.000 2.272 167 C HN 0.834 nan 8.230 nan 0.000 0.506 168 V N 1.117 120.904 119.914 -0.211 0.000 3.102 168 V HA 0.811 4.931 4.120 -0.000 0.000 0.312 168 V C -0.324 175.795 176.094 0.042 0.000 1.135 168 V CA -0.330 61.907 62.300 -0.105 0.000 1.022 168 V CB 1.864 33.634 31.823 -0.088 0.000 1.056 168 V HN 0.722 nan 8.190 nan 0.000 0.436 169 S N 1.973 117.692 115.700 0.031 0.000 2.541 169 S HA 0.750 5.220 4.470 -0.000 0.000 0.283 169 S C -0.373 174.275 174.600 0.080 0.000 1.196 169 S CA -0.408 57.836 58.200 0.074 0.000 1.062 169 S CB 0.908 64.120 63.200 0.020 0.000 1.009 169 S HN 0.647 nan 8.310 nan 0.000 0.502 170 I N 2.383 123.006 120.570 0.089 0.000 2.389 170 I HA 0.515 4.685 4.170 -0.000 0.000 0.288 170 I C -0.080 176.071 176.117 0.056 0.000 0.999 170 I CA -0.588 60.758 61.300 0.077 0.000 1.129 170 I CB 1.498 39.546 38.000 0.079 0.000 1.288 170 I HN 0.633 nan 8.210 nan 0.000 0.444 171 A N 4.705 127.550 122.820 0.043 0.000 2.318 171 A HA 0.822 5.142 4.320 -0.000 0.000 0.324 171 A C -0.515 177.082 177.584 0.023 0.000 1.170 171 A CA -0.400 51.651 52.037 0.023 0.000 0.810 171 A CB 1.546 20.547 19.000 0.002 0.000 1.198 171 A HN 0.572 nan 8.150 nan 0.000 0.484 172 S N 0.386 116.096 115.700 0.017 0.000 2.536 172 S HA 0.558 5.028 4.470 -0.000 0.000 0.271 172 S C 1.007 175.610 174.600 0.005 0.000 1.134 172 S CA 0.139 58.347 58.200 0.014 0.000 0.897 172 S CB 1.604 64.817 63.200 0.021 0.000 1.094 172 S HN 1.683 nan 8.310 nan 0.000 0.473 173 A N 2.132 124.952 122.820 0.001 0.000 1.917 173 A HA -0.053 4.267 4.320 -0.000 0.000 0.219 173 A C 0.786 178.369 177.584 -0.001 0.000 1.182 173 A CA 1.840 53.875 52.037 -0.004 0.000 0.633 173 A CB -0.461 18.535 19.000 -0.007 0.000 0.819 173 A HN 0.736 nan 8.150 nan 0.000 0.448 174 D N -1.092 119.310 120.400 0.003 0.000 2.329 174 D HA 0.317 4.957 4.640 -0.000 0.000 0.232 174 D C 0.686 176.990 176.300 0.007 0.000 1.088 174 D CA -0.660 53.343 54.000 0.004 0.000 0.835 174 D CB 0.787 41.589 40.800 0.003 0.000 1.078 174 D HN 0.035 nan 8.370 nan 0.000 0.495 175 I N 4.359 124.934 120.570 0.008 0.000 2.335 175 I HA -0.239 3.931 4.170 -0.000 0.000 0.251 175 I C 1.444 177.567 176.117 0.010 0.000 1.129 175 I CA 1.247 62.554 61.300 0.012 0.000 1.402 175 I CB -0.179 37.828 38.000 0.013 0.000 1.069 175 I HN 0.407 nan 8.210 nan 0.000 0.424 176 N N -0.135 118.569 118.700 0.007 0.000 2.244 176 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 176 N C 1.960 177.473 175.510 0.005 0.000 1.016 176 N CA 1.405 54.458 53.050 0.005 0.000 0.866 176 N CB -0.281 38.208 38.487 0.003 0.000 0.980 176 N HN 0.298 nan 8.380 nan 0.000 0.430 177 V N 1.770 121.688 119.914 0.008 0.000 2.307 177 V HA -0.165 3.955 4.120 -0.000 0.000 0.245 177 V C 2.523 178.626 176.094 0.015 0.000 1.045 177 V CA 1.731 64.038 62.300 0.011 0.000 1.024 177 V CB -0.947 30.884 31.823 0.013 0.000 0.651 177 V HN 0.254 nan 8.190 nan 0.000 0.449 178 A N 0.049 122.879 122.820 0.018 0.000 1.908 178 A HA -0.272 4.048 4.320 -0.000 0.000 0.218 178 A C 2.362 179.956 177.584 0.016 0.000 1.181 178 A CA 2.125 54.177 52.037 0.024 0.000 0.627 178 A CB -0.536 18.481 19.000 0.028 0.000 0.818 178 A HN 0.520 nan 8.150 nan 0.000 0.445 179 R N -1.264 119.240 120.500 0.008 0.000 2.092 179 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 179 R C 2.531 178.823 176.300 -0.013 0.000 1.119 179 R CA 1.381 57.478 56.100 -0.006 0.000 0.970 179 R CB -0.272 30.023 30.300 -0.007 0.000 0.864 179 R HN 0.572 nan 8.270 nan 0.000 0.440 180 R N 0.987 121.483 120.500 -0.006 0.000 2.073 180 R HA -0.096 4.244 4.340 -0.000 0.000 0.234 180 R C 2.182 178.475 176.300 -0.012 0.000 1.134 180 R CA 1.331 57.425 56.100 -0.010 0.000 0.952 180 R CB -0.246 30.052 30.300 -0.003 0.000 0.850 180 R HN 0.177 nan 8.270 nan 0.000 0.433 181 L N 0.756 121.980 121.223 0.002 0.000 2.083 181 L HA -0.219 4.120 4.340 -0.000 0.000 0.209 181 L C 2.843 179.719 176.870 0.010 0.000 1.083 181 L CA 1.562 56.408 54.840 0.011 0.000 0.752 181 L CB -0.614 41.464 42.059 0.031 0.000 0.899 181 L HN 0.441 nan 8.230 nan 0.000 0.433 182 Q N 0.721 120.523 119.800 0.004 0.000 2.124 182 Q HA -0.226 4.114 4.340 -0.000 0.000 0.202 182 Q C 2.231 178.209 176.000 -0.037 0.000 0.977 182 Q CA 1.537 57.334 55.803 -0.009 0.000 0.850 182 Q CB 0.037 28.758 28.738 -0.029 0.000 0.901 182 Q HN 0.433 nan 8.270 nan 0.000 0.429 183 R N -0.175 120.294 120.500 -0.052 0.000 2.148 183 R HA 0.045 4.385 4.340 -0.000 0.000 0.223 183 R C 2.220 178.447 176.300 -0.123 0.000 1.088 183 R CA 1.134 57.183 56.100 -0.086 0.000 0.985 183 R CB -0.019 30.236 30.300 -0.076 0.000 0.880 183 R HN 0.349 nan 8.270 nan 0.000 0.451 184 I N -0.059 120.459 120.570 -0.087 0.000 2.333 184 I HA -0.189 3.981 4.170 -0.000 0.000 0.246 184 I C 1.990 178.056 176.117 -0.085 0.000 1.106 184 I CA 0.917 62.155 61.300 -0.103 0.000 1.411 184 I CB 0.006 37.973 38.000 -0.054 0.000 1.082 184 I HN 0.128 nan 8.210 nan 0.000 0.420 185 M N -0.278 119.313 119.600 -0.014 0.000 2.435 185 M HA 0.088 4.568 4.480 -0.000 0.000 0.265 185 M C 1.049 177.435 176.300 0.143 0.000 1.104 185 M CA 0.669 56.001 55.300 0.053 0.000 1.140 185 M CB -0.705 31.991 32.600 0.160 0.000 1.372 185 M HN -0.028 nan 8.290 nan 0.000 0.456 186 S N 1.635 117.389 115.700 0.090 0.000 2.580 186 S HA 0.283 4.753 4.470 -0.000 0.000 0.274 186 S C 0.573 175.200 174.600 0.044 0.000 1.329 186 S CA -0.467 57.793 58.200 0.100 0.000 1.036 186 S CB 0.885 64.077 63.200 -0.014 0.000 0.919 186 S HN 0.478 nan 8.310 nan 0.000 0.515 187 T N -0.757 113.852 114.554 0.092 0.000 2.925 187 T HA 0.584 4.934 4.350 -0.000 0.000 0.285 187 T C 1.250 175.992 174.700 0.071 0.000 1.021 187 T CA -0.600 61.543 62.100 0.072 0.000 1.042 187 T CB 1.549 70.478 68.868 0.102 0.000 1.037 187 T HN 0.504 nan 8.240 nan 0.000 0.481 188 G N 0.844 109.694 108.800 0.083 0.000 2.511 188 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.217 188 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.217 188 G C 0.923 175.874 174.900 0.085 0.000 1.133 188 G CA 0.524 45.676 45.100 0.087 0.000 0.792 188 G HN 0.891 nan 8.290 nan 0.000 0.539 189 D N -0.177 120.279 120.400 0.093 0.000 2.352 189 D HA -0.023 4.617 4.640 -0.000 0.000 0.232 189 D C 1.145 177.518 176.300 0.122 0.000 1.055 189 D CA -0.330 53.727 54.000 0.095 0.000 0.891 189 D CB -0.095 40.758 40.800 0.089 0.000 0.897 189 D HN 0.033 nan 8.370 nan 0.000 0.529 190 R N -0.499 120.079 120.500 0.130 0.000 3.758 190 R HA -0.192 4.148 4.340 -0.000 0.000 0.299 190 R C 1.279 177.741 176.300 0.270 0.000 1.182 190 R CA 0.994 57.203 56.100 0.182 0.000 0.809 190 R CB -3.185 27.225 30.300 0.183 0.000 1.249 190 R HN 0.552 nan 8.270 nan 0.000 0.497 191 S N -1.341 114.485 115.700 0.211 0.000 2.436 191 S HA 0.065 4.535 4.470 -0.000 0.000 0.228 191 S C 0.546 175.239 174.600 0.156 0.000 1.014 191 S CA 0.363 58.695 58.200 0.220 0.000 0.950 191 S CB 0.188 63.496 63.200 0.181 0.000 0.784 191 S HN 0.299 nan 8.310 nan 0.000 0.504 192 F N 1.616 121.543 119.950 -0.039 0.000 2.612 192 F HA 0.626 5.152 4.527 -0.001 0.000 0.332 192 F C -1.434 174.315 175.800 -0.086 0.000 1.167 192 F CA -0.929 57.016 58.000 -0.091 0.000 0.970 192 F CB 1.959 40.933 39.000 -0.044 0.000 1.234 192 F HN -0.125 nan 8.300 nan 0.000 0.453 193 V N 5.245 124.905 119.914 -0.424 0.000 2.444 193 V HA 0.392 4.512 4.120 -0.000 0.000 0.294 193 V C -0.564 175.349 176.094 -0.302 0.000 1.022 193 V CA -0.801 61.333 62.300 -0.277 0.000 0.850 193 V CB 1.422 33.145 31.823 -0.167 0.000 0.992 193 V HN 0.880 nan 8.190 nan 0.000 0.426 194 C N 4.153 123.314 119.300 -0.233 0.000 2.366 194 C HA 0.695 5.155 4.460 -0.000 0.000 0.345 194 C C -0.756 174.152 174.990 -0.136 0.000 1.209 194 C CA -0.826 58.138 59.018 -0.090 0.000 2.050 194 C CB 0.858 28.586 27.740 -0.020 0.000 2.359 194 C HN 0.884 nan 8.230 nan 0.000 0.527 195 W N 1.357 122.610 121.300 -0.078 0.000 2.683 195 W HA 0.612 5.272 4.660 -0.001 0.000 0.329 195 W C -0.011 176.490 176.519 -0.029 0.000 1.037 195 W CA -0.376 56.942 57.345 -0.045 0.000 1.232 195 W CB 0.965 30.398 29.460 -0.045 0.000 1.390 195 W HN 0.870 nan 8.180 nan 0.000 0.465 196 A N 2.148 125.063 122.820 0.157 0.000 2.327 196 A HA 0.785 5.104 4.320 -0.000 0.000 0.283 196 A C -0.095 177.545 177.584 0.094 0.000 1.127 196 A CA -0.014 52.079 52.037 0.094 0.000 0.810 196 A CB 1.083 20.112 19.000 0.048 0.000 1.066 196 A HN 0.547 nan 8.150 nan 0.000 0.492 197 T N -0.944 113.647 114.554 0.062 0.000 2.792 197 T HA 0.504 4.854 4.350 -0.000 0.000 0.303 197 T C 0.639 175.352 174.700 0.021 0.000 1.310 197 T CA 0.355 62.479 62.100 0.041 0.000 1.007 197 T CB 1.195 70.082 68.868 0.032 0.000 1.335 197 T HN 1.117 nan 8.240 nan 0.000 0.504 198 T N -1.128 113.431 114.554 0.009 0.000 3.054 198 T HA 0.246 4.596 4.350 -0.000 0.000 0.255 198 T C 0.413 175.102 174.700 -0.018 0.000 1.035 198 T CA 0.014 62.113 62.100 -0.002 0.000 0.941 198 T CB -0.047 68.820 68.868 -0.002 0.000 1.026 198 T HN 0.458 nan 8.240 nan 0.000 0.533 199 D N 3.275 123.659 120.400 -0.026 0.000 2.608 199 D HA 0.136 4.776 4.640 -0.000 0.000 0.224 199 D C 1.688 177.949 176.300 -0.066 0.000 1.123 199 D CA 0.186 54.156 54.000 -0.050 0.000 1.030 199 D CB 0.356 41.121 40.800 -0.059 0.000 1.093 199 D HN 0.431 nan 8.370 nan 0.000 0.497 200 T N -2.076 112.440 114.554 -0.062 0.000 2.821 200 T HA -0.148 4.202 4.350 -0.000 0.000 0.267 200 T C 1.978 176.597 174.700 -0.135 0.000 1.046 200 T CA 0.863 62.919 62.100 -0.074 0.000 1.139 200 T CB -0.312 68.524 68.868 -0.052 0.000 0.871 200 T HN 0.114 nan 8.240 nan 0.000 0.454 201 V N 2.054 121.878 119.914 -0.151 0.000 2.307 201 V HA 0.027 4.147 4.120 -0.000 0.000 0.245 201 V C 3.131 179.069 176.094 -0.259 0.000 1.045 201 V CA 1.820 63.981 62.300 -0.233 0.000 1.024 201 V CB -1.508 30.210 31.823 -0.174 0.000 0.651 201 V HN 0.663 nan 8.190 nan 0.000 0.449 202 G N -1.243 107.448 108.800 -0.181 0.000 2.442 202 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.219 202 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.219 202 G C 1.739 176.539 174.900 -0.168 0.000 1.141 202 G CA 1.377 46.374 45.100 -0.171 0.000 0.763 202 G HN 0.523 nan 8.290 nan 0.000 0.554 203 C N 1.069 120.282 119.300 -0.146 0.000 2.462 203 C HA -0.016 4.444 4.460 -0.000 0.000 0.278 203 C C 2.947 177.858 174.990 -0.133 0.000 1.253 203 C CA 1.269 60.220 59.018 -0.113 0.000 1.713 203 C CB -0.711 26.986 27.740 -0.071 0.000 2.049 203 C HN 0.800 nan 8.230 nan 0.000 0.477 204 E N 0.705 120.779 120.200 -0.209 0.000 2.152 204 E HA -0.130 4.220 4.350 -0.000 0.000 0.192 204 E C 1.912 178.314 176.600 -0.330 0.000 0.983 204 E CA 1.430 57.678 56.400 -0.252 0.000 0.818 204 E CB -0.378 29.111 29.700 -0.352 0.000 0.758 204 E HN 0.444 nan 8.360 nan 0.000 0.467 205 V N 2.035 121.678 119.914 -0.450 0.000 2.307 205 V HA -0.248 3.872 4.120 -0.000 0.000 0.245 205 V C 2.698 178.765 176.094 -0.044 0.000 1.045 205 V CA 1.928 64.090 62.300 -0.230 0.000 1.024 205 V CB -0.776 30.920 31.823 -0.212 0.000 0.651 205 V HN 0.485 nan 8.190 nan 0.000 0.449 206 A N -0.421 122.346 122.820 -0.088 0.000 1.883 206 A HA -0.242 4.077 4.320 -0.000 0.000 0.217 206 A C 2.495 180.066 177.584 -0.021 0.000 1.186 206 A CA 2.436 54.438 52.037 -0.058 0.000 0.624 206 A CB -0.841 18.106 19.000 -0.088 0.000 0.822 206 A HN 0.500 nan 8.150 nan 0.000 0.444 207 S N -0.393 115.296 115.700 -0.019 0.000 2.370 207 S HA -0.074 4.396 4.470 -0.000 0.000 0.226 207 S C 2.284 176.915 174.600 0.051 0.000 1.033 207 S CA 1.356 59.560 58.200 0.007 0.000 1.011 207 S CB -0.445 62.764 63.200 0.015 0.000 0.852 207 S HN 0.812 nan 8.310 nan 0.000 0.457 208 A N 0.763 123.650 122.820 0.111 0.000 1.872 208 A HA 0.026 4.346 4.320 -0.000 0.000 0.214 208 A C 2.317 179.961 177.584 0.100 0.000 1.187 208 A CA 1.245 53.368 52.037 0.143 0.000 0.614 208 A CB -0.733 18.434 19.000 0.277 0.000 0.826 208 A HN 0.343 nan 8.150 nan 0.000 0.442 209 V N 1.289 121.260 119.914 0.094 0.000 2.453 209 V HA -0.248 3.872 4.120 -0.000 0.000 0.247 209 V C 2.547 178.672 176.094 0.051 0.000 1.048 209 V CA 2.336 64.676 62.300 0.067 0.000 1.049 209 V CB -0.770 31.085 31.823 0.054 0.000 0.672 209 V HN 0.850 nan 8.190 nan 0.000 0.457 210 K N 0.934 121.356 120.400 0.037 0.000 2.152 210 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 210 K C 1.645 178.274 176.600 0.048 0.000 1.048 210 K CA 2.025 58.330 56.287 0.031 0.000 0.933 210 K CB -0.604 31.898 32.500 0.004 0.000 0.721 210 K HN 0.347 nan 8.250 nan 0.000 0.447 211 N N 0.564 119.295 118.700 0.052 0.000 2.244 211 N HA -0.077 4.663 4.740 -0.000 0.000 0.183 211 N C 1.672 177.225 175.510 0.072 0.000 1.016 211 N CA 1.317 54.406 53.050 0.066 0.000 0.866 211 N CB -0.184 38.340 38.487 0.061 0.000 0.980 211 N HN 0.114 nan 8.380 nan 0.000 0.430 212 V N 1.543 121.499 119.914 0.069 0.000 2.307 212 V HA -0.135 3.985 4.120 -0.000 0.000 0.245 212 V C 2.370 178.503 176.094 0.065 0.000 1.045 212 V CA 1.066 63.410 62.300 0.073 0.000 1.024 212 V CB -0.508 31.362 31.823 0.079 0.000 0.651 212 V HN 0.203 nan 8.190 nan 0.000 0.449 213 L N 0.303 121.564 121.223 0.062 0.000 2.079 213 L HA -0.183 4.157 4.340 -0.000 0.000 0.210 213 L C 2.683 179.595 176.870 0.070 0.000 1.081 213 L CA 1.559 56.435 54.840 0.060 0.000 0.752 213 L CB -0.777 41.316 42.059 0.056 0.000 0.896 213 L HN 0.367 nan 8.230 nan 0.000 0.433 214 A N 0.180 123.054 122.820 0.090 0.000 1.930 214 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 214 A C 2.223 179.857 177.584 0.084 0.000 1.175 214 A CA 1.282 53.403 52.037 0.140 0.000 0.627 214 A CB -0.578 18.526 19.000 0.174 0.000 0.815 214 A HN 0.355 nan 8.150 nan 0.000 0.443 215 I N -0.220 120.377 120.570 0.044 0.000 2.163 215 I HA -0.244 3.926 4.170 -0.000 0.000 0.243 215 I C 2.737 178.816 176.117 -0.063 0.000 1.085 215 I CA 1.228 62.517 61.300 -0.018 0.000 1.347 215 I CB -0.759 37.245 38.000 0.006 0.000 1.044 215 I HN 0.398 nan 8.210 nan 0.000 0.408 216 G N -0.291 108.499 108.800 -0.017 0.000 2.469 216 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.219 216 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.219 216 G C 1.784 176.655 174.900 -0.049 0.000 1.150 216 G CA 1.204 46.291 45.100 -0.023 0.000 0.763 216 G HN 0.398 nan 8.290 nan 0.000 0.561 217 S N 0.384 116.073 115.700 -0.019 0.000 2.368 217 S HA -0.002 4.468 4.470 -0.000 0.000 0.225 217 S C 2.535 176.982 174.600 -0.255 0.000 1.030 217 S CA 1.819 60.023 58.200 0.006 0.000 0.999 217 S CB -0.746 62.577 63.200 0.205 0.000 0.844 217 S HN 0.485 nan 8.310 nan 0.000 0.459 218 G N 0.812 109.233 108.800 -0.632 0.000 2.418 218 G HA2 -0.143 3.817 3.960 -0.000 0.000 0.217 218 G HA3 -0.143 3.817 3.960 -0.000 0.000 0.217 218 G C 1.489 176.089 174.900 -0.500 0.000 1.158 218 G CA 1.095 45.514 45.100 -1.135 0.000 0.771 218 G HN 0.464 nan 8.290 nan 0.000 0.545 219 V N 1.642 121.390 119.914 -0.276 0.000 2.287 219 V HA -0.181 3.939 4.120 -0.000 0.000 0.248 219 V C 3.359 179.382 176.094 -0.117 0.000 1.053 219 V CA 2.108 64.314 62.300 -0.156 0.000 1.027 219 V CB -0.979 30.786 31.823 -0.097 0.000 0.646 219 V HN 0.490 nan 8.190 nan 0.000 0.447 220 A N 0.214 122.976 122.820 -0.096 0.000 1.892 220 A HA -0.342 3.978 4.320 -0.000 0.000 0.218 220 A C 2.224 179.787 177.584 -0.035 0.000 1.188 220 A CA 2.395 54.406 52.037 -0.043 0.000 0.631 220 A CB -0.947 18.049 19.000 -0.007 0.000 0.822 220 A HN 0.652 nan 8.150 nan 0.000 0.447 221 N N -0.202 118.461 118.700 -0.063 0.000 2.120 221 N HA -0.139 4.601 4.740 -0.000 0.000 0.188 221 N C 1.898 177.394 175.510 -0.024 0.000 1.024 221 N CA 1.609 54.656 53.050 -0.005 0.000 0.852 221 N CB -0.376 38.136 38.487 0.041 0.000 1.003 221 N HN 0.404 nan 8.380 nan 0.000 0.424 222 G N 0.656 109.409 108.800 -0.079 0.000 2.443 222 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.219 222 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.219 222 G C 1.345 176.225 174.900 -0.032 0.000 1.131 222 G CA 0.069 45.137 45.100 -0.054 0.000 0.775 222 G HN 0.222 nan 8.290 nan 0.000 0.547 223 L N 0.509 121.712 121.223 -0.033 0.000 2.554 223 L HA 0.291 4.630 4.340 -0.000 0.000 0.226 223 L C 2.103 178.970 176.870 -0.006 0.000 1.137 223 L CA 0.791 55.620 54.840 -0.019 0.000 0.863 223 L CB -0.479 41.568 42.059 -0.021 0.000 0.985 223 L HN 0.430 nan 8.230 nan 0.000 0.451 224 G N -1.326 107.474 108.800 0.001 0.000 2.157 224 G HA2 -0.289 3.670 3.960 -0.000 0.000 0.239 224 G HA3 -0.289 3.670 3.960 -0.000 0.000 0.239 224 G C 0.522 175.432 174.900 0.017 0.000 0.982 224 G CA 0.346 45.453 45.100 0.011 0.000 0.650 224 G HN 0.310 nan 8.290 nan 0.000 0.527 225 M N 0.306 119.916 119.600 0.016 0.000 2.163 225 M HA 0.529 5.009 4.480 -0.000 0.000 0.305 225 M C 1.361 177.683 176.300 0.037 0.000 1.166 225 M CA 0.693 56.007 55.300 0.023 0.000 1.132 225 M CB 0.565 33.176 32.600 0.019 0.000 1.413 225 M HN 0.247 nan 8.290 nan 0.000 0.478 226 G N -0.045 108.778 108.800 0.039 0.000 2.971 226 G HA2 0.544 4.503 3.960 -0.000 0.000 0.235 226 G HA3 0.544 4.503 3.960 -0.000 0.000 0.235 226 G C 0.403 175.336 174.900 0.054 0.000 1.351 226 G CA -0.755 44.372 45.100 0.046 0.000 1.039 226 G HN 0.732 nan 8.290 nan 0.000 0.563 227 L N -0.046 121.207 121.223 0.049 0.000 2.156 227 L HA -0.040 4.300 4.340 -0.000 0.000 0.208 227 L C 2.551 179.447 176.870 0.043 0.000 1.095 227 L CA 0.586 55.456 54.840 0.050 0.000 0.770 227 L CB -0.303 41.780 42.059 0.040 0.000 0.914 227 L HN 0.330 nan 8.230 nan 0.000 0.439 228 N N 0.816 119.537 118.700 0.034 0.000 2.120 228 N HA -0.153 4.586 4.740 -0.000 0.000 0.188 228 N C 1.934 177.463 175.510 0.032 0.000 1.024 228 N CA 1.598 54.666 53.050 0.029 0.000 0.852 228 N CB -0.352 38.148 38.487 0.023 0.000 1.003 228 N HN 0.294 nan 8.380 nan 0.000 0.424 229 A N 1.235 124.076 122.820 0.035 0.000 1.902 229 A HA -0.140 4.179 4.320 -0.000 0.000 0.217 229 A C 2.246 179.858 177.584 0.046 0.000 1.181 229 A CA 1.438 53.497 52.037 0.036 0.000 0.623 229 A CB -0.541 18.479 19.000 0.033 0.000 0.818 229 A HN 0.277 nan 8.150 nan 0.000 0.443 230 R N -0.252 120.284 120.500 0.061 0.000 2.083 230 R HA -0.152 4.188 4.340 -0.000 0.000 0.237 230 R C 2.268 178.607 176.300 0.064 0.000 1.137 230 R CA 1.673 57.821 56.100 0.080 0.000 0.951 230 R CB -0.461 29.902 30.300 0.106 0.000 0.851 230 R HN 0.424 nan 8.270 nan 0.000 0.434 231 A N 0.637 123.487 122.820 0.051 0.000 1.902 231 A HA -0.100 4.220 4.320 -0.000 0.000 0.217 231 A C 2.369 179.975 177.584 0.036 0.000 1.181 231 A CA 1.707 53.768 52.037 0.040 0.000 0.623 231 A CB -0.768 18.250 19.000 0.030 0.000 0.818 231 A HN 0.575 nan 8.150 nan 0.000 0.443 232 A N -0.376 122.464 122.820 0.034 0.000 1.902 232 A HA -0.040 4.280 4.320 -0.000 0.000 0.217 232 A C 2.213 179.818 177.584 0.036 0.000 1.181 232 A CA 1.509 53.564 52.037 0.031 0.000 0.623 232 A CB -0.619 18.397 19.000 0.027 0.000 0.818 232 A HN 0.699 nan 8.150 nan 0.000 0.443 233 L N -0.493 120.755 121.223 0.042 0.000 2.046 233 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 233 L C 2.302 179.201 176.870 0.049 0.000 1.077 233 L CA 1.574 56.441 54.840 0.045 0.000 0.747 233 L CB -0.245 41.844 42.059 0.050 0.000 0.896 233 L HN 0.422 nan 8.230 nan 0.000 0.432 234 I N -0.667 119.935 120.570 0.052 0.000 2.179 234 I HA -0.328 3.842 4.170 -0.000 0.000 0.242 234 I C 2.614 178.761 176.117 0.050 0.000 1.088 234 I CA 1.533 62.864 61.300 0.052 0.000 1.357 234 I CB -0.348 37.681 38.000 0.049 0.000 1.051 234 I HN 0.431 nan 8.210 nan 0.000 0.409 235 M N 0.548 120.175 119.600 0.044 0.000 2.099 235 M HA -0.169 4.311 4.480 -0.000 0.000 0.262 235 M C 2.407 178.737 176.300 0.050 0.000 1.067 235 M CA 1.840 57.167 55.300 0.045 0.000 1.124 235 M CB -0.526 32.091 32.600 0.029 0.000 1.353 235 M HN 0.127 nan 8.290 nan 0.000 0.410 236 R N -0.074 120.451 120.500 0.042 0.000 2.115 236 R HA 0.023 4.363 4.340 -0.000 0.000 0.226 236 R C 2.284 178.609 176.300 0.042 0.000 1.100 236 R CA 1.375 57.499 56.100 0.040 0.000 0.980 236 R CB -1.611 28.710 30.300 0.034 0.000 0.875 236 R HN 0.567 nan 8.270 nan 0.000 0.445 237 G N 1.342 110.169 108.800 0.044 0.000 2.422 237 G HA2 -0.227 3.732 3.960 -0.000 0.000 0.218 237 G HA3 -0.227 3.732 3.960 -0.000 0.000 0.218 237 G C 1.423 176.345 174.900 0.036 0.000 1.146 237 G CA 0.236 45.361 45.100 0.041 0.000 0.769 237 G HN 0.203 nan 8.290 nan 0.000 0.547 238 L N 0.716 121.967 121.223 0.047 0.000 2.127 238 L HA 0.059 4.398 4.340 -0.000 0.000 0.211 238 L C 2.690 179.578 176.870 0.030 0.000 1.089 238 L CA 1.167 56.034 54.840 0.045 0.000 0.757 238 L CB -0.357 41.770 42.059 0.113 0.000 0.899 238 L HN 0.223 nan 8.230 nan 0.000 0.434 239 L N -1.098 120.156 121.223 0.051 0.000 2.131 239 L HA -0.219 4.121 4.340 -0.000 0.000 0.210 239 L C 2.392 179.266 176.870 0.007 0.000 1.092 239 L CA 1.399 56.261 54.840 0.037 0.000 0.759 239 L CB -0.719 41.365 42.059 0.042 0.000 0.903 239 L HN 0.371 nan 8.230 nan 0.000 0.435 240 E N 0.451 120.657 120.200 0.010 0.000 2.072 240 E HA -0.165 4.184 4.350 -0.000 0.000 0.190 240 E C 2.331 178.925 176.600 -0.011 0.000 0.982 240 E CA 0.984 57.387 56.400 0.005 0.000 0.803 240 E CB -0.082 29.629 29.700 0.020 0.000 0.755 240 E HN 0.481 nan 8.360 nan 0.000 0.453 241 I N 1.195 121.752 120.570 -0.021 0.000 2.208 241 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 241 I C 2.838 178.902 176.117 -0.088 0.000 1.097 241 I CA 1.150 62.420 61.300 -0.049 0.000 1.363 241 I CB -0.285 37.676 38.000 -0.065 0.000 1.051 241 I HN 0.066 nan 8.210 nan 0.000 0.413 242 R N 0.966 121.401 120.500 -0.109 0.000 2.073 242 R HA -0.195 4.145 4.340 -0.000 0.000 0.234 242 R C 1.803 178.051 176.300 -0.086 0.000 1.134 242 R CA 2.084 58.097 56.100 -0.144 0.000 0.952 242 R CB -0.214 30.001 30.300 -0.142 0.000 0.850 242 R HN 0.310 nan 8.270 nan 0.000 0.433 243 D N 0.786 121.156 120.400 -0.049 0.000 2.117 243 D HA -0.159 4.481 4.640 -0.000 0.000 0.198 243 D C 1.863 178.144 176.300 -0.031 0.000 0.982 243 D CA 0.744 54.724 54.000 -0.034 0.000 0.828 243 D CB -0.242 40.546 40.800 -0.020 0.000 0.967 243 D HN 0.175 nan 8.370 nan 0.000 0.464 244 L N 0.901 122.109 121.223 -0.025 0.000 2.093 244 L HA -0.103 4.237 4.340 -0.000 0.000 0.208 244 L C 2.142 178.998 176.870 -0.023 0.000 1.085 244 L CA 1.655 56.490 54.840 -0.009 0.000 0.755 244 L CB -0.921 41.149 42.059 0.018 0.000 0.904 244 L HN -0.062 nan 8.230 nan 0.000 0.435 245 T N -0.108 114.412 114.554 -0.057 0.000 2.684 245 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 245 T C 1.920 176.577 174.700 -0.071 0.000 1.036 245 T CA 1.495 63.542 62.100 -0.087 0.000 1.148 245 T CB -0.559 68.234 68.868 -0.125 0.000 0.863 245 T HN 0.530 nan 8.240 nan 0.000 0.436 246 A N 1.455 124.237 122.820 -0.064 0.000 1.908 246 A HA 0.061 4.381 4.320 -0.000 0.000 0.218 246 A C 2.611 180.173 177.584 -0.036 0.000 1.181 246 A CA 2.002 54.009 52.037 -0.049 0.000 0.627 246 A CB -1.099 17.875 19.000 -0.043 0.000 0.818 246 A HN 0.530 nan 8.150 nan 0.000 0.445 247 A N -1.044 121.759 122.820 -0.028 0.000 2.015 247 A HA 0.153 4.473 4.320 -0.000 0.000 0.219 247 A C 1.909 179.486 177.584 -0.012 0.000 1.163 247 A CA 1.204 53.231 52.037 -0.018 0.000 0.646 247 A CB -0.370 18.622 19.000 -0.013 0.000 0.806 247 A HN 0.454 nan 8.150 nan 0.000 0.448 248 L N -1.552 119.663 121.223 -0.013 0.000 2.592 248 L HA 0.245 4.585 4.340 -0.000 0.000 0.227 248 L C 1.554 178.408 176.870 -0.027 0.000 1.127 248 L CA 0.576 55.413 54.840 -0.005 0.000 0.884 248 L CB 0.225 42.291 42.059 0.011 0.000 1.065 248 L HN 0.557 nan 8.230 nan 0.000 0.457 249 G N -0.369 108.410 108.800 -0.036 0.000 2.157 249 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.239 249 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.239 249 G C 0.581 175.450 174.900 -0.051 0.000 0.982 249 G CA -0.226 44.852 45.100 -0.038 0.000 0.650 249 G HN 0.485 nan 8.290 nan 0.000 0.527 250 G N 0.350 109.109 108.800 -0.069 0.000 2.483 250 G HA2 0.455 4.415 3.960 -0.000 0.000 0.248 250 G HA3 0.455 4.415 3.960 -0.000 0.000 0.248 250 G C 0.820 175.678 174.900 -0.070 0.000 1.248 250 G CA 0.687 45.738 45.100 -0.082 0.000 0.838 250 G HN 0.530 nan 8.290 nan 0.000 0.566 251 D N -0.402 119.960 120.400 -0.064 0.000 2.347 251 D HA 0.105 4.745 4.640 -0.000 0.000 0.213 251 D C 1.701 177.962 176.300 -0.065 0.000 0.985 251 D CA 0.865 54.834 54.000 -0.052 0.000 0.879 251 D CB -0.196 40.583 40.800 -0.036 0.000 0.919 251 D HN 1.075 nan 8.370 nan 0.000 0.526 252 G N -0.020 108.724 108.800 -0.094 0.000 2.176 252 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.253 252 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.253 252 G C 1.213 176.027 174.900 -0.143 0.000 0.979 252 G CA 0.940 45.957 45.100 -0.138 0.000 0.641 252 G HN 0.626 nan 8.290 nan 0.000 0.530 253 S N -0.123 115.525 115.700 -0.085 0.000 2.419 253 S HA 0.258 4.728 4.470 -0.000 0.000 0.233 253 S C 2.505 177.059 174.600 -0.077 0.000 1.016 253 S CA 1.497 59.665 58.200 -0.053 0.000 0.974 253 S CB -0.278 62.910 63.200 -0.020 0.000 0.786 253 S HN 1.682 nan 8.310 nan 0.000 0.492 254 A N 1.361 124.117 122.820 -0.108 0.000 2.066 254 A HA 0.201 4.521 4.320 -0.000 0.000 0.218 254 A C 2.262 179.745 177.584 -0.168 0.000 1.157 254 A CA 0.964 52.932 52.037 -0.115 0.000 0.670 254 A CB -0.842 18.093 19.000 -0.109 0.000 0.804 254 A HN 0.397 nan 8.150 nan 0.000 0.453 255 V N -1.201 118.543 119.914 -0.283 0.000 2.287 255 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 255 V C 1.805 177.635 176.094 -0.440 0.000 1.053 255 V CA 1.960 63.979 62.300 -0.468 0.000 1.027 255 V CB -0.830 30.514 31.823 -0.799 0.000 0.646 255 V HN 0.667 nan 8.190 nan 0.000 0.447 256 F N -0.256 119.657 119.950 -0.061 0.000 2.639 256 F HA 0.465 4.992 4.527 -0.001 0.000 0.300 256 F C 1.342 177.090 175.800 -0.085 0.000 1.109 256 F CA -0.013 57.948 58.000 -0.065 0.000 1.335 256 F CB -0.020 38.945 39.000 -0.057 0.000 1.014 256 F HN 0.195 nan 8.300 nan 0.000 0.537 257 G N 0.018 108.820 108.800 0.004 0.000 2.736 257 G HA2 0.349 4.309 3.960 -0.000 0.000 0.229 257 G HA3 0.349 4.309 3.960 -0.000 0.000 0.229 257 G C 0.800 175.636 174.900 -0.107 0.000 1.380 257 G CA -0.540 44.517 45.100 -0.072 0.000 1.040 257 G HN 0.078 nan 8.290 nan 0.000 0.568 258 L N 0.132 121.257 121.223 -0.163 0.000 2.056 258 L HA -0.035 4.305 4.340 -0.000 0.000 0.207 258 L C 3.293 180.092 176.870 -0.118 0.000 1.078 258 L CA 1.458 56.197 54.840 -0.168 0.000 0.749 258 L CB -0.374 41.551 42.059 -0.223 0.000 0.901 258 L HN 0.544 nan 8.230 nan 0.000 0.433 259 A N -0.104 122.657 122.820 -0.099 0.000 1.930 259 A HA -0.023 4.297 4.320 -0.000 0.000 0.217 259 A C 2.146 179.679 177.584 -0.085 0.000 1.175 259 A CA 1.679 53.667 52.037 -0.082 0.000 0.627 259 A CB -0.907 18.049 19.000 -0.073 0.000 0.815 259 A HN 0.434 nan 8.150 nan 0.000 0.443 260 G N -0.856 107.889 108.800 -0.091 0.000 2.549 260 G HA2 0.160 4.120 3.960 -0.000 0.000 0.219 260 G HA3 0.160 4.120 3.960 -0.000 0.000 0.219 260 G C 1.401 176.269 174.900 -0.053 0.000 1.677 260 G CA 0.375 45.423 45.100 -0.087 0.000 0.929 260 G HN 0.388 nan 8.290 nan 0.000 0.549 261 L N 0.856 122.067 121.223 -0.020 0.000 2.021 261 L HA -0.052 4.288 4.340 -0.000 0.000 0.215 261 L C 2.847 179.704 176.870 -0.021 0.000 1.074 261 L CA 2.296 57.151 54.840 0.024 0.000 0.760 261 L CB -0.586 41.532 42.059 0.098 0.000 0.889 261 L HN 0.363 nan 8.230 nan 0.000 0.433 262 G N -1.205 107.561 108.800 -0.056 0.000 2.433 262 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.216 262 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.216 262 G C 1.261 176.099 174.900 -0.104 0.000 1.186 262 G CA 0.900 45.949 45.100 -0.085 0.000 0.779 262 G HN 0.435 nan 8.290 nan 0.000 0.543 263 D N -0.107 120.226 120.400 -0.112 0.000 2.149 263 D HA -0.061 4.579 4.640 -0.000 0.000 0.201 263 D C 2.438 178.674 176.300 -0.108 0.000 0.972 263 D CA 0.422 54.337 54.000 -0.141 0.000 0.835 263 D CB -0.253 40.471 40.800 -0.125 0.000 0.966 263 D HN 0.158 nan 8.370 nan 0.000 0.476 264 L N 0.977 122.164 121.223 -0.059 0.000 1.989 264 L HA -0.223 4.117 4.340 -0.000 0.000 0.211 264 L C 2.369 179.233 176.870 -0.009 0.000 1.071 264 L CA 2.353 57.181 54.840 -0.020 0.000 0.749 264 L CB -1.172 40.886 42.059 -0.001 0.000 0.890 264 L HN 0.082 nan 8.230 nan 0.000 0.431 265 Q N -0.548 119.242 119.800 -0.017 0.000 2.124 265 Q HA -0.224 4.116 4.340 -0.000 0.000 0.202 265 Q C 2.082 178.070 176.000 -0.020 0.000 0.977 265 Q CA 2.365 58.166 55.803 -0.004 0.000 0.850 265 Q CB -1.225 27.511 28.738 -0.004 0.000 0.901 265 Q HN 0.517 nan 8.270 nan 0.000 0.429 266 L N 0.597 121.772 121.223 -0.080 0.000 1.994 266 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 266 L C 2.013 178.829 176.870 -0.090 0.000 1.071 266 L CA 2.575 57.329 54.840 -0.143 0.000 0.745 266 L CB -0.955 40.902 42.059 -0.338 0.000 0.892 266 L HN 0.356 nan 8.230 nan 0.000 0.431 267 T N -1.621 112.881 114.554 -0.087 0.000 2.904 267 T HA -0.143 4.207 4.350 -0.000 0.000 0.267 267 T C 1.792 176.600 174.700 0.179 0.000 1.059 267 T CA 1.383 63.523 62.100 0.067 0.000 1.137 267 T CB -0.607 68.278 68.868 0.028 0.000 0.879 267 T HN 0.466 nan 8.240 nan 0.000 0.467 268 C N 1.585 120.970 119.300 0.142 0.000 2.522 268 C HA 0.166 4.626 4.460 -0.000 0.000 0.271 268 C C 2.316 177.423 174.990 0.195 0.000 1.425 268 C CA 0.147 59.307 59.018 0.238 0.000 1.751 268 C CB -1.103 26.734 27.740 0.162 0.000 1.775 268 C HN 0.420 nan 8.230 nan 0.000 0.557 269 S N -0.761 114.949 115.700 0.016 0.000 2.629 269 S HA 0.181 4.651 4.470 -0.000 0.000 0.236 269 S C 0.239 174.675 174.600 -0.273 0.000 1.010 269 S CA 0.119 58.268 58.200 -0.084 0.000 0.981 269 S CB 0.242 63.440 63.200 -0.005 0.000 0.919 269 S HN 0.492 nan 8.310 nan 0.000 0.514 270 S N 0.536 115.947 115.700 -0.482 0.000 2.543 270 S HA 0.313 4.783 4.470 -0.000 0.000 0.271 270 S C -0.036 174.148 174.600 -0.693 0.000 1.148 270 S CA -0.561 57.354 58.200 -0.475 0.000 0.914 270 S CB 1.371 64.523 63.200 -0.081 0.000 1.096 270 S HN 0.185 nan 8.310 nan 0.000 0.471 271 E N 2.872 122.752 120.200 -0.533 0.000 2.409 271 E HA -0.029 4.321 4.350 -0.000 0.000 0.198 271 E C 1.304 177.801 176.600 -0.171 0.000 1.024 271 E CA 0.607 56.893 56.400 -0.190 0.000 0.861 271 E CB -0.179 29.498 29.700 -0.038 0.000 0.788 271 E HN 0.629 nan 8.360 nan 0.000 0.521 272 L N 0.726 121.730 121.223 -0.365 0.000 2.261 272 L HA -0.097 4.243 4.340 -0.000 0.000 0.216 272 L C 1.568 178.152 176.870 -0.476 0.000 1.114 272 L CA 0.214 54.713 54.840 -0.568 0.000 0.777 272 L CB -0.281 41.104 42.059 -1.122 0.000 0.910 272 L HN -0.031 nan 8.230 nan 0.000 0.440 273 S N -0.408 115.172 115.700 -0.202 0.000 2.505 273 S HA 0.119 4.588 4.470 -0.000 0.000 0.276 273 S C 1.152 175.843 174.600 0.152 0.000 1.274 273 S CA -0.616 57.685 58.200 0.168 0.000 1.053 273 S CB 1.070 64.484 63.200 0.357 0.000 0.919 273 S HN 0.129 nan 8.310 nan 0.000 0.490 274 R N 3.860 124.441 120.500 0.135 0.000 2.115 274 R HA 0.046 4.386 4.340 -0.000 0.000 0.230 274 R C 2.052 178.430 176.300 0.129 0.000 1.111 274 R CA 1.643 57.814 56.100 0.117 0.000 0.976 274 R CB -0.316 30.046 30.300 0.104 0.000 0.870 274 R HN 0.652 nan 8.270 nan 0.000 0.445 275 N N -0.329 118.459 118.700 0.148 0.000 2.171 275 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 275 N C 1.603 177.197 175.510 0.140 0.000 1.021 275 N CA 1.092 54.217 53.050 0.125 0.000 0.854 275 N CB -0.270 38.289 38.487 0.120 0.000 0.994 275 N HN 0.149 nan 8.380 nan 0.000 0.426 276 F N 2.342 122.329 119.950 0.062 0.000 2.095 276 F HA -0.207 4.319 4.527 -0.001 0.000 0.298 276 F C 2.389 178.210 175.800 0.034 0.000 1.104 276 F CA 1.417 59.449 58.000 0.053 0.000 1.232 276 F CB -0.468 38.574 39.000 0.069 0.000 0.987 276 F HN -0.069 nan 8.300 nan 0.000 0.475 277 T N 0.002 114.724 114.554 0.280 0.000 2.746 277 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 277 T C 2.129 176.847 174.700 0.030 0.000 1.039 277 T CA 1.460 63.658 62.100 0.164 0.000 1.142 277 T CB -0.569 68.388 68.868 0.148 0.000 0.866 277 T HN 0.125 nan 8.240 nan 0.000 0.444 278 V N 1.416 121.344 119.914 0.024 0.000 2.287 278 V HA -0.160 3.959 4.120 -0.000 0.000 0.248 278 V C 2.858 178.915 176.094 -0.062 0.000 1.053 278 V CA 2.105 64.399 62.300 -0.010 0.000 1.027 278 V CB -1.379 30.446 31.823 0.005 0.000 0.646 278 V HN 0.598 nan 8.190 nan 0.000 0.447 279 G N -0.533 108.203 108.800 -0.107 0.000 2.476 279 G HA2 -0.369 3.591 3.960 -0.000 0.000 0.218 279 G HA3 -0.369 3.591 3.960 -0.000 0.000 0.218 279 G C 1.638 176.412 174.900 -0.209 0.000 1.164 279 G CA 1.292 46.288 45.100 -0.173 0.000 0.768 279 G HN 0.515 nan 8.290 nan 0.000 0.560 280 K N 0.538 120.774 120.400 -0.272 0.000 2.032 280 K HA -0.109 4.211 4.320 -0.000 0.000 0.209 280 K C 2.494 179.037 176.600 -0.097 0.000 1.048 280 K CA 1.537 57.701 56.287 -0.205 0.000 0.927 280 K CB -0.178 32.237 32.500 -0.141 0.000 0.712 280 K HN 0.252 nan 8.250 nan 0.000 0.441 281 K N 0.475 120.835 120.400 -0.066 0.000 2.097 281 K HA -0.088 4.232 4.320 -0.000 0.000 0.205 281 K C 2.135 178.706 176.600 -0.048 0.000 1.050 281 K CA 1.284 57.547 56.287 -0.040 0.000 0.938 281 K CB -0.093 32.393 32.500 -0.023 0.000 0.718 281 K HN 0.144 nan 8.250 nan 0.000 0.442 282 L N 0.038 121.224 121.223 -0.061 0.000 2.046 282 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 282 L C 2.536 179.371 176.870 -0.058 0.000 1.077 282 L CA 1.425 56.229 54.840 -0.060 0.000 0.747 282 L CB -0.768 41.251 42.059 -0.068 0.000 0.896 282 L HN 0.351 nan 8.230 nan 0.000 0.432 283 G N -0.448 108.310 108.800 -0.070 0.000 2.422 283 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.218 283 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.218 283 G C 1.623 176.497 174.900 -0.043 0.000 1.140 283 G CA 0.293 45.357 45.100 -0.061 0.000 0.775 283 G HN 0.138 nan 8.290 nan 0.000 0.545 284 K N 0.220 120.595 120.400 -0.040 0.000 2.486 284 K HA 0.110 4.430 4.320 -0.000 0.000 0.194 284 K C 1.625 178.211 176.600 -0.023 0.000 1.033 284 K CA 0.704 56.976 56.287 -0.026 0.000 1.004 284 K CB 0.283 32.771 32.500 -0.020 0.000 0.798 284 K HN 0.424 nan 8.250 nan 0.000 0.495 285 G N 0.956 109.739 108.800 -0.029 0.000 2.168 285 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.197 285 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.197 285 G C 0.005 174.889 174.900 -0.027 0.000 0.997 285 G CA -0.403 44.681 45.100 -0.027 0.000 0.658 285 G HN 0.124 nan 8.290 nan 0.000 0.513 286 L N 1.662 122.868 121.223 -0.028 0.000 2.397 286 L HA 0.411 4.751 4.340 -0.000 0.000 0.271 286 L C -1.441 175.409 176.870 -0.035 0.000 1.148 286 L CA -1.729 53.095 54.840 -0.027 0.000 0.825 286 L CB 0.301 42.346 42.059 -0.023 0.000 1.117 286 L HN -0.001 nan 8.230 nan 0.000 0.456 287 P HA 0.070 nan 4.420 nan 0.000 0.275 287 P C 0.713 177.983 177.300 -0.050 0.000 1.228 287 P CA -0.470 62.604 63.100 -0.044 0.000 0.786 287 P CB 1.403 33.080 31.700 -0.038 0.000 0.927 288 I N 2.195 122.724 120.570 -0.069 0.000 2.423 288 I HA -0.255 3.914 4.170 -0.000 0.000 0.254 288 I C 1.695 177.773 176.117 -0.065 0.000 1.151 288 I CA 1.778 63.031 61.300 -0.080 0.000 1.421 288 I CB -0.690 37.232 38.000 -0.129 0.000 1.079 288 I HN 0.296 nan 8.210 nan 0.000 0.431 289 E N 0.282 120.447 120.200 -0.058 0.000 2.106 289 E HA -0.169 4.181 4.350 -0.000 0.000 0.192 289 E C 2.133 178.719 176.600 -0.023 0.000 0.984 289 E CA 1.167 57.542 56.400 -0.041 0.000 0.806 289 E CB -0.203 29.476 29.700 -0.036 0.000 0.750 289 E HN 0.463 nan 8.360 nan 0.000 0.458 290 E N 0.119 120.306 120.200 -0.022 0.000 2.076 290 E HA -0.092 4.258 4.350 -0.000 0.000 0.190 290 E C 2.062 178.657 176.600 -0.008 0.000 0.979 290 E CA 0.411 56.803 56.400 -0.013 0.000 0.807 290 E CB -0.100 29.592 29.700 -0.013 0.000 0.761 290 E HN 0.213 nan 8.360 nan 0.000 0.454 291 I N 1.814 122.376 120.570 -0.014 0.000 2.087 291 I HA -0.290 3.880 4.170 -0.000 0.000 0.240 291 I C 2.292 178.411 176.117 0.005 0.000 1.054 291 I CA 1.514 62.810 61.300 -0.007 0.000 1.311 291 I CB -1.454 36.535 38.000 -0.017 0.000 1.024 291 I HN 0.132 nan 8.210 nan 0.000 0.402 292 Q N -0.145 119.654 119.800 -0.001 0.000 2.230 292 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 292 Q C 2.326 178.343 176.000 0.028 0.000 0.963 292 Q CA 0.820 56.632 55.803 0.016 0.000 0.866 292 Q CB -0.406 28.334 28.738 0.003 0.000 0.931 292 Q HN 0.523 nan 8.270 nan 0.000 0.452 293 R N 0.819 121.329 120.500 0.016 0.000 2.081 293 R HA -0.102 4.238 4.340 -0.000 0.000 0.235 293 R C 1.653 177.967 176.300 0.024 0.000 1.131 293 R CA 1.838 57.950 56.100 0.020 0.000 0.960 293 R CB -0.020 30.286 30.300 0.010 0.000 0.856 293 R HN 0.287 nan 8.270 nan 0.000 0.436 294 T N -2.212 112.354 114.554 0.020 0.000 3.163 294 T HA 0.240 4.590 4.350 -0.000 0.000 0.252 294 T C 0.239 174.957 174.700 0.030 0.000 1.056 294 T CA -0.441 61.671 62.100 0.020 0.000 0.947 294 T CB 0.482 69.357 68.868 0.012 0.000 1.016 294 T HN -0.079 nan 8.240 nan 0.000 0.554 295 S N 1.261 116.987 115.700 0.043 0.000 2.508 295 S HA 0.416 4.886 4.470 -0.000 0.000 0.284 295 S C 0.597 175.247 174.600 0.083 0.000 1.192 295 S CA -0.850 57.386 58.200 0.060 0.000 1.070 295 S CB 1.282 64.521 63.200 0.065 0.000 1.004 295 S HN 0.387 nan 8.310 nan 0.000 0.493 296 K N 1.349 121.804 120.400 0.091 0.000 2.414 296 K HA 0.445 4.764 4.320 -0.000 0.000 0.204 296 K C -0.147 176.580 176.600 0.210 0.000 1.026 296 K CA -0.115 56.243 56.287 0.118 0.000 1.108 296 K CB 0.822 33.354 32.500 0.053 0.000 0.855 296 K HN 0.538 nan 8.250 nan 0.000 0.517 297 A N 0.443 123.378 122.820 0.190 0.000 2.572 297 A HA 0.485 4.805 4.320 -0.000 0.000 0.295 297 A C -0.757 176.928 177.584 0.168 0.000 1.072 297 A CA -0.656 51.510 52.037 0.215 0.000 0.691 297 A CB 1.327 20.438 19.000 0.185 0.000 1.291 297 A HN -0.048 nan 8.150 nan 0.000 0.404 298 V N 1.006 121.017 119.914 0.163 0.000 2.555 298 V HA 0.459 4.579 4.120 -0.000 0.000 0.286 298 V C 0.802 176.958 176.094 0.104 0.000 1.044 298 V CA 0.563 62.946 62.300 0.139 0.000 1.026 298 V CB 1.083 32.992 31.823 0.142 0.000 0.981 298 V HN 1.293 nan 8.190 nan 0.000 0.480 299 A N 3.869 126.741 122.820 0.085 0.000 2.511 299 A HA 0.458 4.777 4.320 -0.000 0.000 0.340 299 A C 0.965 178.582 177.584 0.055 0.000 1.396 299 A CA -0.489 51.592 52.037 0.073 0.000 0.887 299 A CB 0.205 19.245 19.000 0.067 0.000 1.145 299 A HN 0.832 nan 8.150 nan 0.000 0.497 300 E N 2.124 122.355 120.200 0.051 0.000 2.153 300 E HA -0.160 4.190 4.350 -0.000 0.000 0.194 300 E C 2.038 178.665 176.600 0.046 0.000 0.988 300 E CA 1.460 57.879 56.400 0.032 0.000 0.811 300 E CB -0.033 29.687 29.700 0.032 0.000 0.746 300 E HN 0.833 nan 8.360 nan 0.000 0.466 301 G N 1.190 110.026 108.800 0.060 0.000 2.450 301 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.220 301 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.220 301 G C 1.827 176.783 174.900 0.093 0.000 1.130 301 G CA 0.889 46.033 45.100 0.074 0.000 0.760 301 G HN 0.168 nan 8.290 nan 0.000 0.557 302 V N 1.337 121.293 119.914 0.071 0.000 2.255 302 V HA -0.146 3.974 4.120 -0.000 0.000 0.247 302 V C 3.245 179.429 176.094 0.150 0.000 1.051 302 V CA 2.198 64.535 62.300 0.062 0.000 1.018 302 V CB -0.807 31.015 31.823 -0.003 0.000 0.641 302 V HN 0.465 nan 8.190 nan 0.000 0.445 303 A N -1.157 121.735 122.820 0.120 0.000 2.072 303 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 303 A C 2.293 179.971 177.584 0.157 0.000 1.156 303 A CA 1.698 53.835 52.037 0.168 0.000 0.701 303 A CB -0.584 18.445 19.000 0.048 0.000 0.816 303 A HN 0.483 nan 8.150 nan 0.000 0.458 304 T N 0.006 114.624 114.554 0.107 0.000 2.951 304 T HA 0.097 4.447 4.350 -0.000 0.000 0.268 304 T C 2.185 176.924 174.700 0.065 0.000 1.073 304 T CA 1.057 63.188 62.100 0.052 0.000 1.134 304 T CB -0.231 68.661 68.868 0.040 0.000 0.884 304 T HN 0.551 nan 8.240 nan 0.000 0.479 305 A N 1.666 124.591 122.820 0.174 0.000 1.908 305 A HA -0.174 4.146 4.320 -0.000 0.000 0.218 305 A C 2.066 179.697 177.584 0.077 0.000 1.181 305 A CA 2.168 54.323 52.037 0.198 0.000 0.627 305 A CB -0.727 18.494 19.000 0.369 0.000 0.818 305 A HN 0.521 nan 8.150 nan 0.000 0.445 306 D N -0.646 119.675 120.400 -0.132 0.000 2.077 306 D HA -0.087 4.553 4.640 -0.000 0.000 0.196 306 D C -0.498 175.628 176.300 -0.290 0.000 0.986 306 D CA 1.555 55.313 54.000 -0.403 0.000 0.829 306 D CB -0.655 39.532 40.800 -1.022 0.000 0.983 306 D HN 0.300 nan 8.370 nan 0.000 0.453 307 P HA -0.132 nan 4.420 nan 0.000 0.219 307 P C 1.858 179.050 177.300 -0.181 0.000 1.146 307 P CA 0.756 63.749 63.100 -0.178 0.000 0.808 307 P CB -0.068 31.542 31.700 -0.151 0.000 0.779 308 L N -0.613 120.519 121.223 -0.152 0.000 2.017 308 L HA -0.116 4.224 4.340 -0.000 0.000 0.208 308 L C 2.490 179.270 176.870 -0.150 0.000 1.073 308 L CA 1.942 56.709 54.840 -0.121 0.000 0.745 308 L CB -1.408 40.620 42.059 -0.052 0.000 0.894 308 L HN -0.130 nan 8.230 nan 0.000 0.432 309 M N -0.587 118.869 119.600 -0.241 0.000 2.108 309 M HA -0.239 4.241 4.480 -0.000 0.000 0.261 309 M C 2.402 178.548 176.300 -0.256 0.000 1.066 309 M CA 1.825 56.928 55.300 -0.327 0.000 1.107 309 M CB -0.509 31.629 32.600 -0.770 0.000 1.356 309 M HN 0.333 nan 8.290 nan 0.000 0.406 310 R N -0.156 120.196 120.500 -0.247 0.000 2.096 310 R HA -0.155 4.185 4.340 -0.000 0.000 0.235 310 R C 2.211 178.432 176.300 -0.132 0.000 1.127 310 R CA 1.342 57.336 56.100 -0.175 0.000 0.968 310 R CB -0.628 29.576 30.300 -0.159 0.000 0.861 310 R HN 0.338 nan 8.270 nan 0.000 0.440 311 L N 0.710 121.855 121.223 -0.130 0.000 2.056 311 L HA -0.049 4.291 4.340 -0.000 0.000 0.207 311 L C 2.202 179.030 176.870 -0.071 0.000 1.078 311 L CA 1.825 56.607 54.840 -0.096 0.000 0.749 311 L CB -0.566 41.429 42.059 -0.107 0.000 0.901 311 L HN 0.105 nan 8.230 nan 0.000 0.433 312 A N -0.565 122.208 122.820 -0.078 0.000 1.898 312 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 312 A C 2.421 179.963 177.584 -0.071 0.000 1.181 312 A CA 1.732 53.732 52.037 -0.062 0.000 0.620 312 A CB -0.576 18.387 19.000 -0.062 0.000 0.819 312 A HN 0.497 nan 8.150 nan 0.000 0.442 313 K N -0.422 119.922 120.400 -0.093 0.000 2.032 313 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 313 K C 2.249 178.808 176.600 -0.068 0.000 1.048 313 K CA 1.892 58.126 56.287 -0.089 0.000 0.927 313 K CB -0.272 32.166 32.500 -0.103 0.000 0.712 313 K HN 0.551 nan 8.250 nan 0.000 0.441 314 Q N 0.144 119.905 119.800 -0.065 0.000 2.112 314 Q HA -0.145 4.195 4.340 -0.000 0.000 0.206 314 Q C 1.775 177.751 176.000 -0.041 0.000 0.987 314 Q CA 1.877 57.650 55.803 -0.051 0.000 0.858 314 Q CB 0.007 28.713 28.738 -0.052 0.000 0.905 314 Q HN 0.394 nan 8.270 nan 0.000 0.420 315 L N -0.113 121.086 121.223 -0.038 0.000 2.592 315 L HA 0.106 4.446 4.340 -0.000 0.000 0.227 315 L C 0.014 176.865 176.870 -0.031 0.000 1.127 315 L CA 0.046 54.868 54.840 -0.029 0.000 0.884 315 L CB 0.212 42.260 42.059 -0.019 0.000 1.065 315 L HN 0.101 nan 8.230 nan 0.000 0.457 316 K N -0.021 120.355 120.400 -0.040 0.000 3.096 316 K HA -0.146 4.174 4.320 -0.000 0.000 0.266 316 K C -0.577 176.000 176.600 -0.039 0.000 1.043 316 K CA 0.055 56.317 56.287 -0.042 0.000 0.758 316 K CB -1.955 30.524 32.500 -0.035 0.000 1.260 316 K HN 0.088 nan 8.250 nan 0.000 0.481 317 V N 1.314 121.204 119.914 -0.040 0.000 2.370 317 V HA 0.159 4.279 4.120 -0.000 0.000 0.279 317 V C 0.405 176.474 176.094 -0.041 0.000 1.029 317 V CA -0.624 61.656 62.300 -0.033 0.000 0.870 317 V CB 1.496 33.305 31.823 -0.024 0.000 0.984 317 V HN 0.121 nan 8.190 nan 0.000 0.451 318 K N 5.228 125.606 120.400 -0.037 0.000 2.297 318 K HA 0.530 4.850 4.320 -0.000 0.000 0.286 318 K C -0.226 176.363 176.600 -0.018 0.000 1.053 318 K CA 0.366 56.629 56.287 -0.040 0.000 0.940 318 K CB 0.637 33.116 32.500 -0.036 0.000 1.019 318 K HN 0.608 nan 8.250 nan 0.000 0.475 319 M N 5.923 125.518 119.600 -0.008 0.000 2.126 319 M HA 0.182 4.662 4.480 -0.000 0.000 0.217 319 M C -1.871 174.467 176.300 0.063 0.000 0.873 319 M CA -1.618 53.696 55.300 0.024 0.000 0.707 319 M CB 1.532 34.146 32.600 0.024 0.000 1.515 319 M HN 0.337 nan 8.290 nan 0.000 0.369 320 P HA -0.152 nan 4.420 nan 0.000 0.215 320 P C 1.355 178.724 177.300 0.116 0.000 1.153 320 P CA 1.420 64.574 63.100 0.090 0.000 0.853 320 P CB 0.405 32.138 31.700 0.056 0.000 0.788 321 L N -0.721 120.550 121.223 0.081 0.000 2.005 321 L HA -0.157 4.183 4.340 -0.000 0.000 0.207 321 L C 2.951 179.872 176.870 0.085 0.000 1.072 321 L CA 1.625 56.508 54.840 0.072 0.000 0.744 321 L CB -1.175 40.917 42.059 0.054 0.000 0.895 321 L HN 0.015 nan 8.230 nan 0.000 0.433 322 C N -1.310 118.044 119.300 0.090 0.000 2.422 322 C HA -0.195 4.265 4.460 -0.000 0.000 0.279 322 C C 2.749 177.826 174.990 0.145 0.000 1.305 322 C CA 0.882 59.959 59.018 0.099 0.000 1.757 322 C CB -1.170 26.615 27.740 0.076 0.000 1.962 322 C HN 0.570 nan 8.230 nan 0.000 0.499 323 H N 0.850 119.962 119.070 0.069 0.000 2.326 323 H HA -0.101 4.455 4.556 0.000 0.000 0.301 323 H C 2.298 177.733 175.328 0.177 0.000 1.081 323 H CA 1.741 57.853 56.048 0.107 0.000 1.334 323 H CB -0.181 29.614 29.762 0.054 0.000 1.385 323 H HN 0.318 nan 8.280 nan 0.000 0.504 324 Q N 0.055 119.857 119.800 0.003 0.000 2.167 324 Q HA -0.074 4.266 4.340 -0.000 0.000 0.202 324 Q C 2.675 178.653 176.000 -0.037 0.000 0.970 324 Q CA 1.242 57.011 55.803 -0.058 0.000 0.855 324 Q CB -0.083 28.663 28.738 0.012 0.000 0.911 324 Q HN 0.588 nan 8.270 nan 0.000 0.438 325 I N -0.205 120.380 120.570 0.025 0.000 2.286 325 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 325 I C 2.325 178.476 176.117 0.056 0.000 1.104 325 I CA 1.040 62.360 61.300 0.033 0.000 1.397 325 I CB -0.404 37.630 38.000 0.057 0.000 1.072 325 I HN 0.116 nan 8.210 nan 0.000 0.417 326 Y N 2.176 122.465 120.300 -0.018 0.000 2.151 326 Y HA -0.296 4.254 4.550 -0.000 0.000 0.284 326 Y C 2.449 178.349 175.900 -0.002 0.000 1.166 326 Y CA 1.705 59.816 58.100 0.018 0.000 1.163 326 Y CB -0.231 38.213 38.460 -0.026 0.000 0.974 326 Y HN 0.121 nan 8.280 nan 0.000 0.511 327 E N 0.657 120.671 120.200 -0.311 0.000 2.077 327 E HA -0.207 4.142 4.350 -0.000 0.000 0.193 327 E C 2.364 178.821 176.600 -0.238 0.000 0.989 327 E CA 1.774 57.956 56.400 -0.363 0.000 0.800 327 E CB -0.431 29.125 29.700 -0.239 0.000 0.746 327 E HN 0.644 nan 8.360 nan 0.000 0.452 328 I N 0.546 121.028 120.570 -0.148 0.000 2.179 328 I HA -0.237 3.933 4.170 -0.000 0.000 0.242 328 I C 2.475 178.521 176.117 -0.118 0.000 1.088 328 I CA 0.828 62.064 61.300 -0.107 0.000 1.357 328 I CB -0.259 37.699 38.000 -0.070 0.000 1.051 328 I HN -0.070 nan 8.210 nan 0.000 0.409 329 V N -0.608 119.244 119.914 -0.103 0.000 2.379 329 V HA -0.266 3.853 4.120 -0.000 0.000 0.245 329 V C 1.923 177.879 176.094 -0.230 0.000 1.044 329 V CA 1.917 64.147 62.300 -0.118 0.000 1.036 329 V CB -0.539 31.276 31.823 -0.013 0.000 0.664 329 V HN 0.352 nan 8.190 nan 0.000 0.453 330 Y N -0.958 119.175 120.300 -0.279 0.000 2.498 330 Y HA 0.227 4.777 4.550 0.000 0.000 0.259 330 Y C 2.003 177.734 175.900 -0.282 0.000 1.086 330 Y CA 0.336 58.266 58.100 -0.282 0.000 1.287 330 Y CB 0.641 38.869 38.460 -0.386 0.000 1.146 330 Y HN 0.026 nan 8.280 nan 0.000 0.523 331 K N 0.063 120.344 120.400 -0.198 0.000 2.387 331 K HA 0.136 4.456 4.320 -0.000 0.000 0.203 331 K C 0.214 176.750 176.600 -0.106 0.000 1.030 331 K CA 0.000 56.200 56.287 -0.146 0.000 1.099 331 K CB 0.719 33.108 32.500 -0.184 0.000 0.863 331 K HN 0.039 nan 8.250 nan 0.000 0.529 332 K N 1.572 121.905 120.400 -0.111 0.000 3.088 332 K HA -0.203 4.116 4.320 -0.000 0.000 0.273 332 K C -0.270 176.287 176.600 -0.071 0.000 1.111 332 K CA 0.629 56.866 56.287 -0.084 0.000 0.803 332 K CB -1.049 31.412 32.500 -0.064 0.000 1.226 332 K HN 0.130 nan 8.250 nan 0.000 0.485 333 K N 1.238 121.588 120.400 -0.083 0.000 2.447 333 K HA -0.010 4.310 4.320 -0.000 0.000 0.281 333 K C -0.120 176.448 176.600 -0.054 0.000 1.031 333 K CA 0.088 56.336 56.287 -0.065 0.000 1.019 333 K CB 0.323 32.777 32.500 -0.077 0.000 0.918 333 K HN 0.269 nan 8.250 nan 0.000 0.476 334 N N 5.042 123.719 118.700 -0.039 0.000 2.359 334 N HA -0.037 4.703 4.740 -0.000 0.000 0.261 334 N C -1.960 173.530 175.510 -0.033 0.000 1.267 334 N CA -1.151 51.879 53.050 -0.033 0.000 0.864 334 N CB 0.865 39.337 38.487 -0.024 0.000 1.063 334 N HN 0.377 nan 8.380 nan 0.000 0.474 335 P HA -0.173 nan 4.420 nan 0.000 0.217 335 P C 0.654 177.940 177.300 -0.023 0.000 1.148 335 P CA 1.341 64.421 63.100 -0.034 0.000 0.828 335 P CB 0.202 31.879 31.700 -0.039 0.000 0.783 336 R N -0.688 119.801 120.500 -0.019 0.000 2.090 336 R HA -0.085 4.254 4.340 -0.000 0.000 0.228 336 R C 1.703 177.998 176.300 -0.008 0.000 1.110 336 R CA 1.274 57.367 56.100 -0.012 0.000 0.973 336 R CB -0.762 29.532 30.300 -0.010 0.000 0.869 336 R HN 0.223 nan 8.270 nan 0.000 0.440 337 D N 0.882 121.277 120.400 -0.010 0.000 2.117 337 D HA -0.102 4.538 4.640 -0.000 0.000 0.197 337 D C 1.831 178.129 176.300 -0.003 0.000 0.987 337 D CA 1.422 55.419 54.000 -0.005 0.000 0.829 337 D CB -0.223 40.573 40.800 -0.008 0.000 0.961 337 D HN 0.205 nan 8.370 nan 0.000 0.460 338 A N 1.055 123.869 122.820 -0.011 0.000 1.902 338 A HA -0.132 4.187 4.320 -0.000 0.000 0.217 338 A C 2.248 179.834 177.584 0.004 0.000 1.181 338 A CA 0.855 52.887 52.037 -0.009 0.000 0.623 338 A CB -0.819 18.166 19.000 -0.025 0.000 0.818 338 A HN 0.265 nan 8.150 nan 0.000 0.443 339 L N -0.712 120.511 121.223 0.000 0.000 2.017 339 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 339 L C 2.925 179.801 176.870 0.011 0.000 1.073 339 L CA 1.726 56.569 54.840 0.005 0.000 0.745 339 L CB -0.640 41.419 42.059 0.000 0.000 0.894 339 L HN 0.446 nan 8.230 nan 0.000 0.432 340 A N -0.243 122.582 122.820 0.009 0.000 1.883 340 A HA -0.275 4.044 4.320 -0.000 0.000 0.217 340 A C 1.833 179.428 177.584 0.018 0.000 1.186 340 A CA 2.146 54.190 52.037 0.011 0.000 0.624 340 A CB -0.681 18.324 19.000 0.009 0.000 0.822 340 A HN 0.502 nan 8.150 nan 0.000 0.444 341 D N -0.343 120.071 120.400 0.022 0.000 2.144 341 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 341 D C 1.904 178.227 176.300 0.040 0.000 0.978 341 D CA 0.557 54.577 54.000 0.033 0.000 0.833 341 D CB -0.344 40.481 40.800 0.043 0.000 0.961 341 D HN 0.375 nan 8.370 nan 0.000 0.470 342 L N 0.287 121.532 121.223 0.037 0.000 2.042 342 L HA -0.124 4.215 4.340 -0.000 0.000 0.210 342 L C 1.769 178.658 176.870 0.031 0.000 1.076 342 L CA 1.122 55.986 54.840 0.040 0.000 0.749 342 L CB -0.093 41.986 42.059 0.034 0.000 0.893 342 L HN 0.069 nan 8.230 nan 0.000 0.432 343 L N -0.773 120.465 121.223 0.024 0.000 2.611 343 L HA 0.024 4.364 4.340 -0.000 0.000 0.229 343 L C 2.078 178.958 176.870 0.018 0.000 1.137 343 L CA 0.242 55.094 54.840 0.020 0.000 0.901 343 L CB -0.132 41.936 42.059 0.016 0.000 1.098 343 L HN 0.257 nan 8.230 nan 0.000 0.456 344 S N -1.260 114.452 115.700 0.020 0.000 2.650 344 S HA -0.089 4.381 4.470 -0.000 0.000 0.219 344 S C 1.819 176.429 174.600 0.016 0.000 0.960 344 S CA 0.188 58.398 58.200 0.018 0.000 0.925 344 S CB -0.860 62.352 63.200 0.020 0.000 0.775 344 S HN 0.616 nan 8.310 nan 0.000 0.525 345 C N -0.213 119.097 119.300 0.017 0.000 2.481 345 C HA 0.585 5.045 4.460 -0.000 0.000 0.275 345 C C 1.749 176.745 174.990 0.011 0.000 1.419 345 C CA -0.612 58.414 59.018 0.014 0.000 1.773 345 C CB -1.955 25.794 27.740 0.015 0.000 1.862 345 C HN 0.928 nan 8.230 nan 0.000 0.530 346 G N 0.934 109.741 108.800 0.011 0.000 2.796 346 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.226 346 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.226 346 G C -0.629 174.276 174.900 0.008 0.000 1.381 346 G CA -0.238 44.868 45.100 0.009 0.000 0.867 346 G HN 0.718 nan 8.290 nan 0.000 0.552 347 L N 1.281 122.509 121.223 0.007 0.000 2.426 347 L HA 0.489 4.829 4.340 -0.000 0.000 0.271 347 L C 1.049 177.923 176.870 0.006 0.000 1.169 347 L CA -0.006 54.838 54.840 0.007 0.000 0.836 347 L CB 0.763 42.825 42.059 0.006 0.000 1.112 347 L HN 0.817 nan 8.230 nan 0.000 0.465 348 Q N 1.030 120.833 119.800 0.006 0.000 2.565 348 Q HA 0.441 4.781 4.340 -0.000 0.000 0.294 348 Q C -1.773 174.230 176.000 0.004 0.000 1.005 348 Q CA -1.197 54.609 55.803 0.005 0.000 0.771 348 Q CB 1.625 30.366 28.738 0.006 0.000 1.486 348 Q HN 0.341 nan 8.270 nan 0.000 0.422 349 D N 1.214 121.615 120.400 0.003 0.000 2.372 349 D HA -0.015 4.625 4.640 -0.000 0.000 0.243 349 D C 0.786 177.087 176.300 0.002 0.000 1.121 349 D CA 0.098 54.099 54.000 0.002 0.000 0.898 349 D CB 1.101 41.901 40.800 0.000 0.000 1.202 349 D HN 0.753 nan 8.370 nan 0.000 0.428 350 E N 1.472 121.672 120.200 0.001 0.000 2.086 350 E HA -0.223 4.126 4.350 -0.000 0.000 0.200 350 E C 1.183 177.784 176.600 0.001 0.000 1.012 350 E CA 1.705 58.105 56.400 0.001 0.000 0.812 350 E CB -0.179 29.519 29.700 -0.004 0.000 0.743 350 E HN 0.764 nan 8.360 nan 0.000 0.453 351 G N -0.453 108.346 108.800 -0.002 0.000 2.148 351 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.254 351 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.254 351 G C -0.197 174.701 174.900 -0.002 0.000 0.981 351 G CA 0.348 45.447 45.100 -0.001 0.000 0.670 351 G HN 0.188 nan 8.290 nan 0.000 0.528 352 L N 1.956 123.175 121.223 -0.007 0.000 2.417 352 L HA 0.532 4.872 4.340 -0.000 0.000 0.268 352 L C -0.805 176.052 176.870 -0.022 0.000 1.158 352 L CA -1.694 53.141 54.840 -0.009 0.000 0.819 352 L CB 0.166 42.212 42.059 -0.021 0.000 1.112 352 L HN 0.094 nan 8.230 nan 0.000 0.458 353 P HA 0.280 nan 4.420 nan 0.000 0.274 353 P C -2.606 174.650 177.300 -0.074 0.000 1.231 353 P CA -1.160 61.918 63.100 -0.035 0.000 0.790 353 P CB -0.368 31.318 31.700 -0.024 0.000 0.951 354 P HA 0.142 nan 4.420 nan 0.000 0.271 354 P C 0.626 177.790 177.300 -0.225 0.000 1.218 354 P CA -0.132 62.892 63.100 -0.127 0.000 0.780 354 P CB 0.927 32.590 31.700 -0.061 0.000 0.901 355 L N 0.434 121.372 121.223 -0.474 0.000 2.341 355 L HA 0.113 4.453 4.340 -0.000 0.000 0.214 355 L C 0.434 176.878 176.870 -0.711 0.000 1.115 355 L CA 0.799 55.181 54.840 -0.762 0.000 0.820 355 L CB -0.389 40.864 42.059 -1.342 0.000 0.944 355 L HN 0.248 nan 8.230 nan 0.000 0.452 356 F N -1.189 118.757 119.950 -0.007 0.000 2.640 356 F HA 0.564 5.090 4.527 -0.000 0.000 0.324 356 F C 0.029 175.826 175.800 -0.005 0.000 1.077 356 F CA -1.405 56.591 58.000 -0.006 0.000 0.965 356 F CB 1.022 40.016 39.000 -0.010 0.000 1.351 356 F HN -0.393 nan 8.300 nan 0.000 0.487 357 K N 0.000 120.528 120.400 0.214 0.000 2.780 357 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 357 K CA 0.000 56.351 56.287 0.107 0.000 0.838 357 K CB 0.000 32.546 32.500 0.077 0.000 1.064 357 K HN 0.000 nan 8.250 nan 0.000 0.543