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 2ij5_1_B DATA FIRST_RESID 4 DATA SEQUENCE TVLLEVPFSA RGDRIPDAVA ELRTREPIRK VRTITGAEAW LVSSYALCTQ DATA SEQUENCE VLEDRRFSMK ETAAAGAPRL NALTVPPEVV NNMGNIADAG LRKAVMKAIT DATA SEQUENCE PKAPGLEQFL RDTANSLLDN LITEGAPADL RNDFADPLAT ALHCKVLGIP DATA SEQUENCE QEDGPKLFRS LSIAFMSSAD PIPAAKINWD RDIEYMAGIL ENPNITTGLM DATA SEQUENCE GELSRLRXXX AYSHVSDELF ATIGVTFFGA GVISTGSFLT TALISLIQRP DATA SEQUENCE QLRNLLHEKP ELIPAGVEEL LRINLSFADG LPRLATADIQ VGDVLVRKGE DATA SEQUENCE LVLVLLEGAN FDPEHFPNPG SIELDRPNPT SHLAFGRGQH FCPGSALGRR DATA SEQUENCE HAQIGIEALL KKMPGVDLAV PIDQLVWRTR FQRRIPERLP VLW 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 4 T HA 0.000 nan 4.350 nan 0.000 0.228 4 T C 0.000 174.701 174.700 0.002 0.000 1.109 4 T CA 0.000 62.102 62.100 0.003 0.000 1.349 4 T CB 0.000 68.871 68.868 0.006 0.000 0.612 5 V N 1.902 121.817 119.914 0.003 0.000 2.914 5 V HA 0.920 5.040 4.120 -0.000 0.000 0.314 5 V C -0.431 175.666 176.094 0.006 0.000 1.084 5 V CA -1.297 61.005 62.300 0.002 0.000 0.963 5 V CB 1.701 33.527 31.823 0.004 0.000 1.025 5 V HN 0.874 nan 8.190 nan 0.000 0.432 6 L N 3.452 124.676 121.223 0.001 0.000 2.380 6 L HA 0.480 4.820 4.340 -0.000 0.000 0.273 6 L C 0.238 177.129 176.870 0.035 0.000 1.138 6 L CA -0.110 54.734 54.840 0.007 0.000 0.832 6 L CB 0.929 42.975 42.059 -0.022 0.000 1.124 6 L HN 0.603 nan 8.230 nan 0.000 0.454 7 L N 2.616 123.887 121.223 0.079 0.000 2.417 7 L HA 0.416 4.756 4.340 -0.000 0.000 0.268 7 L C 0.755 177.724 176.870 0.165 0.000 1.158 7 L CA -0.326 54.615 54.840 0.168 0.000 0.819 7 L CB 0.628 42.845 42.059 0.264 0.000 1.112 7 L HN 0.728 nan 8.230 nan 0.000 0.458 8 E N 2.827 123.123 120.200 0.160 0.000 2.133 8 E HA 0.534 4.884 4.350 -0.000 0.000 0.274 8 E C -0.530 175.978 176.600 -0.153 0.000 0.930 8 E CA -0.717 55.688 56.400 0.008 0.000 0.770 8 E CB 1.548 31.256 29.700 0.013 0.000 1.104 8 E HN 0.459 nan 8.360 nan 0.000 0.403 9 V N 0.086 119.794 119.914 -0.344 0.000 2.716 9 V HA 0.831 4.951 4.120 -0.000 0.000 0.304 9 V C -2.236 173.680 176.094 -0.296 0.000 1.053 9 V CA -2.090 59.853 62.300 -0.596 0.000 0.984 9 V CB 1.307 32.767 31.823 -0.605 0.000 1.021 9 V HN 0.696 nan 8.190 nan 0.000 0.467 10 P HA 0.349 nan 4.420 nan 0.000 0.276 10 P C 0.087 177.210 177.300 -0.295 0.000 1.244 10 P CA -0.220 62.672 63.100 -0.346 0.000 0.801 10 P CB 0.836 32.446 31.700 -0.150 0.000 1.006 11 F N -0.565 119.371 119.950 -0.024 0.000 2.416 11 F HA 0.046 4.573 4.527 -0.000 0.000 0.296 11 F C 1.567 177.342 175.800 -0.043 0.000 1.099 11 F CA 0.577 58.558 58.000 -0.032 0.000 1.427 11 F CB 0.235 39.214 39.000 -0.036 0.000 1.079 11 F HN 0.265 nan 8.300 nan 0.000 0.536 12 S N -0.646 115.110 115.700 0.093 0.000 2.572 12 S HA 0.644 5.114 4.470 -0.000 0.000 0.274 12 S C 0.058 174.630 174.600 -0.046 0.000 1.150 12 S CA -0.383 57.823 58.200 0.009 0.000 0.944 12 S CB 1.619 64.806 63.200 -0.021 0.000 1.071 12 S HN 0.105 nan 8.310 nan 0.000 0.479 13 A N 4.281 127.068 122.820 -0.056 0.000 2.275 13 A HA 0.333 4.653 4.320 -0.000 0.000 0.212 13 A C 0.890 178.338 177.584 -0.227 0.000 1.201 13 A CA -0.011 51.999 52.037 -0.045 0.000 0.843 13 A CB -0.081 18.960 19.000 0.067 0.000 0.873 13 A HN 0.762 nan 8.150 nan 0.000 0.492 14 R N -0.379 119.836 120.500 -0.475 0.000 2.347 14 R HA 0.291 4.631 4.340 -0.000 0.000 0.304 14 R C 1.077 176.772 176.300 -1.008 0.000 1.072 14 R CA 0.423 55.823 56.100 -1.167 0.000 0.980 14 R CB 0.696 30.500 30.300 -0.828 0.000 0.986 14 R HN 0.251 nan 8.270 nan 0.000 0.448 15 G N 1.691 109.528 108.800 -1.605 0.000 3.126 15 G HA2 -0.118 3.842 3.960 -0.000 0.000 0.224 15 G HA3 -0.118 3.842 3.960 -0.000 0.000 0.224 15 G C 0.606 175.325 174.900 -0.300 0.000 1.142 15 G CA -0.178 44.546 45.100 -0.626 0.000 0.759 15 G HN 0.680 nan 8.290 nan 0.000 0.550 16 D N 0.379 120.554 120.400 -0.375 0.000 2.301 16 D HA -0.006 4.634 4.640 -0.000 0.000 0.206 16 D C 1.137 177.413 176.300 -0.040 0.000 0.979 16 D CA 0.104 54.097 54.000 -0.013 0.000 0.874 16 D CB 0.201 41.098 40.800 0.161 0.000 0.968 16 D HN 0.407 nan 8.370 nan 0.000 0.510 17 R N 0.195 120.618 120.500 -0.127 0.000 2.626 17 R HA 0.473 4.813 4.340 -0.000 0.000 0.274 17 R C -1.289 174.910 176.300 -0.168 0.000 1.031 17 R CA -0.928 55.110 56.100 -0.104 0.000 0.898 17 R CB 1.097 31.354 30.300 -0.073 0.000 1.222 17 R HN 0.048 nan 8.270 nan 0.000 0.455 18 I N 3.571 124.012 120.570 -0.215 0.000 2.441 18 I HA 0.256 4.426 4.170 -0.000 0.000 0.287 18 I C -1.901 174.090 176.117 -0.210 0.000 1.049 18 I CA -2.041 59.080 61.300 -0.299 0.000 1.381 18 I CB 1.405 39.025 38.000 -0.634 0.000 1.409 18 I HN 0.523 nan 8.210 nan 0.000 0.523 19 P HA 0.128 nan 4.420 nan 0.000 0.271 19 P C -0.162 177.066 177.300 -0.121 0.000 1.216 19 P CA -0.144 62.883 63.100 -0.121 0.000 0.771 19 P CB 0.539 32.184 31.700 -0.092 0.000 0.864 20 D N 2.243 122.585 120.400 -0.096 0.000 2.203 20 D HA -0.204 4.436 4.640 -0.000 0.000 0.199 20 D C 1.862 178.113 176.300 -0.081 0.000 0.997 20 D CA 1.818 55.772 54.000 -0.078 0.000 0.863 20 D CB -0.454 40.311 40.800 -0.059 0.000 0.928 20 D HN 0.424 nan 8.370 nan 0.000 0.458 21 A N 0.177 122.936 122.820 -0.102 0.000 2.019 21 A HA -0.134 4.185 4.320 -0.000 0.000 0.219 21 A C 2.439 179.954 177.584 -0.115 0.000 1.164 21 A CA 0.968 52.927 52.037 -0.130 0.000 0.644 21 A CB -0.476 18.404 19.000 -0.200 0.000 0.805 21 A HN 0.175 nan 8.150 nan 0.000 0.449 22 V N -0.357 119.506 119.914 -0.085 0.000 2.358 22 V HA -0.235 3.885 4.120 -0.000 0.000 0.246 22 V C 3.023 179.109 176.094 -0.015 0.000 1.047 22 V CA 1.919 64.197 62.300 -0.037 0.000 1.035 22 V CB -1.134 30.662 31.823 -0.046 0.000 0.658 22 V HN 0.604 nan 8.190 nan 0.000 0.452 23 A N -0.365 122.442 122.820 -0.022 0.000 1.930 23 A HA -0.209 4.111 4.320 -0.000 0.000 0.217 23 A C 2.134 179.720 177.584 0.004 0.000 1.175 23 A CA 1.691 53.734 52.037 0.010 0.000 0.627 23 A CB -0.416 18.593 19.000 0.015 0.000 0.815 23 A HN 0.623 nan 8.150 nan 0.000 0.443 24 E N -0.662 119.525 120.200 -0.021 0.000 2.058 24 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 24 E C 1.913 178.502 176.600 -0.018 0.000 0.997 24 E CA 1.368 57.753 56.400 -0.025 0.000 0.801 24 E CB -0.266 29.404 29.700 -0.049 0.000 0.746 24 E HN 0.483 nan 8.360 nan 0.000 0.450 25 L N 1.180 122.386 121.223 -0.028 0.000 2.093 25 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 25 L C 2.314 179.200 176.870 0.027 0.000 1.085 25 L CA 1.604 56.439 54.840 -0.008 0.000 0.755 25 L CB -0.250 41.797 42.059 -0.019 0.000 0.904 25 L HN -0.048 nan 8.230 nan 0.000 0.435 26 R N -1.278 119.243 120.500 0.036 0.000 2.081 26 R HA -0.154 4.186 4.340 -0.000 0.000 0.235 26 R C 1.988 178.316 176.300 0.046 0.000 1.131 26 R CA 2.000 58.133 56.100 0.055 0.000 0.960 26 R CB -0.402 29.941 30.300 0.072 0.000 0.856 26 R HN 0.396 nan 8.270 nan 0.000 0.436 27 T N 0.454 115.029 114.554 0.036 0.000 2.643 27 T HA -0.131 4.219 4.350 -0.000 0.000 0.264 27 T C 1.904 176.619 174.700 0.025 0.000 1.045 27 T CA 1.471 63.589 62.100 0.030 0.000 1.155 27 T CB -0.192 68.689 68.868 0.022 0.000 0.863 27 T HN 0.330 nan 8.240 nan 0.000 0.420 28 R N 0.660 121.172 120.500 0.019 0.000 2.075 28 R HA 0.106 4.446 4.340 -0.000 0.000 0.232 28 R C 1.021 177.338 176.300 0.028 0.000 1.126 28 R CA 0.962 57.073 56.100 0.018 0.000 0.963 28 R CB 0.190 30.496 30.300 0.010 0.000 0.858 28 R HN 0.360 nan 8.270 nan 0.000 0.435 29 E N -0.870 119.352 120.200 0.037 0.000 2.934 29 E HA 0.110 4.460 4.350 -0.000 0.000 0.343 29 E C -2.201 174.437 176.600 0.063 0.000 1.148 29 E CA -1.059 55.372 56.400 0.052 0.000 0.803 29 E CB 1.239 30.978 29.700 0.065 0.000 1.541 29 E HN -0.022 nan 8.360 nan 0.000 0.380 30 P HA -0.063 nan 4.420 nan 0.000 0.225 30 P C 0.451 177.781 177.300 0.051 0.000 1.148 30 P CA 0.717 63.847 63.100 0.051 0.000 0.779 30 P CB 0.530 32.253 31.700 0.038 0.000 0.780 31 I N -0.201 120.401 120.570 0.052 0.000 2.439 31 I HA 0.514 4.684 4.170 -0.000 0.000 0.285 31 I C -0.872 175.356 176.117 0.186 0.000 1.021 31 I CA -1.307 60.041 61.300 0.080 0.000 1.091 31 I CB 1.366 39.342 38.000 -0.040 0.000 1.242 31 I HN -0.244 nan 8.210 nan 0.000 0.439 32 R N 5.839 126.520 120.500 0.301 0.000 2.698 32 R HA 0.483 4.823 4.340 -0.000 0.000 0.275 32 R C -1.713 174.786 176.300 0.332 0.000 1.001 32 R CA -0.909 55.393 56.100 0.337 0.000 0.896 32 R CB 1.224 31.640 30.300 0.193 0.000 1.218 32 R HN 0.511 nan 8.270 nan 0.000 0.462 33 K N 2.362 122.872 120.400 0.184 0.000 2.322 33 K HA 0.400 4.720 4.320 -0.000 0.000 0.283 33 K C -0.399 176.150 176.600 -0.084 0.000 1.042 33 K CA -0.307 55.861 56.287 -0.200 0.000 0.958 33 K CB 0.749 33.048 32.500 -0.336 0.000 0.984 33 K HN 0.547 nan 8.250 nan 0.000 0.473 34 V N 0.811 120.644 119.914 -0.135 0.000 3.158 34 V HA 0.652 4.772 4.120 -0.000 0.000 0.311 34 V C -1.060 174.964 176.094 -0.117 0.000 1.181 34 V CA -1.254 61.008 62.300 -0.063 0.000 1.054 34 V CB 1.770 33.578 31.823 -0.025 0.000 1.085 34 V HN 0.851 nan 8.190 nan 0.000 0.446 35 R N 0.641 121.091 120.500 -0.083 0.000 2.562 35 R HA 0.691 5.031 4.340 -0.000 0.000 0.298 35 R C -0.045 176.195 176.300 -0.100 0.000 0.961 35 R CA 0.211 56.255 56.100 -0.092 0.000 0.881 35 R CB 1.958 32.221 30.300 -0.063 0.000 1.159 35 R HN 1.182 nan 8.270 nan 0.000 0.450 36 T N 0.794 115.288 114.554 -0.100 0.000 2.862 36 T HA 0.202 4.552 4.350 -0.000 0.000 0.276 36 T C 1.705 176.358 174.700 -0.077 0.000 0.974 36 T CA -0.706 61.334 62.100 -0.099 0.000 0.966 36 T CB 0.638 69.451 68.868 -0.092 0.000 1.072 36 T HN 0.695 nan 8.240 nan 0.000 0.538 37 I N -1.145 119.382 120.570 -0.073 0.000 2.756 37 I HA 0.008 4.178 4.170 -0.000 0.000 0.262 37 I C 2.058 178.148 176.117 -0.046 0.000 1.225 37 I CA 1.294 62.562 61.300 -0.053 0.000 1.472 37 I CB -1.011 36.961 38.000 -0.046 0.000 1.094 37 I HN 0.816 nan 8.210 nan 0.000 0.454 38 T N -2.189 112.334 114.554 -0.052 0.000 3.113 38 T HA 0.358 4.708 4.350 -0.000 0.000 0.256 38 T C 1.628 176.301 174.700 -0.045 0.000 1.131 38 T CA 0.557 62.629 62.100 -0.047 0.000 1.074 38 T CB 0.101 68.938 68.868 -0.051 0.000 0.944 38 T HN 0.738 nan 8.240 nan 0.000 0.516 39 G N 0.951 109.722 108.800 -0.049 0.000 2.176 39 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.232 39 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.232 39 G C 0.320 175.185 174.900 -0.058 0.000 0.986 39 G CA -0.113 44.958 45.100 -0.048 0.000 0.643 39 G HN 1.148 nan 8.290 nan 0.000 0.522 40 A N 0.168 122.949 122.820 -0.065 0.000 2.386 40 A HA 0.622 4.942 4.320 -0.000 0.000 0.248 40 A C 0.489 178.010 177.584 -0.104 0.000 1.082 40 A CA 0.152 52.143 52.037 -0.076 0.000 0.789 40 A CB 0.330 19.288 19.000 -0.070 0.000 1.025 40 A HN 0.478 nan 8.150 nan 0.000 0.490 41 E N -0.282 119.841 120.200 -0.129 0.000 2.349 41 E HA 0.535 4.885 4.350 -0.000 0.000 0.265 41 E C -0.182 176.275 176.600 -0.239 0.000 1.064 41 E CA -0.037 56.242 56.400 -0.201 0.000 0.886 41 E CB 1.451 31.008 29.700 -0.239 0.000 1.036 41 E HN 0.802 nan 8.360 nan 0.000 0.413 42 A N 2.146 124.773 122.820 -0.322 0.000 2.606 42 A HA 0.442 4.762 4.320 -0.000 0.000 0.293 42 A C -2.063 175.276 177.584 -0.408 0.000 1.082 42 A CA -0.820 51.039 52.037 -0.295 0.000 0.685 42 A CB 0.763 19.680 19.000 -0.139 0.000 1.284 42 A HN 0.626 nan 8.150 nan 0.000 0.408 43 W N 1.285 122.577 121.300 -0.014 0.000 2.308 43 W HA 0.535 5.195 4.660 -0.000 0.000 0.311 43 W C -0.144 176.354 176.519 -0.034 0.000 1.088 43 W CA -0.267 57.069 57.345 -0.016 0.000 1.309 43 W CB 1.387 30.835 29.460 -0.020 0.000 1.229 43 W HN 0.548 nan 8.180 nan 0.000 0.427 44 L N 5.613 126.957 121.223 0.202 0.000 2.281 44 L HA 0.514 4.854 4.340 -0.000 0.000 0.285 44 L C -0.528 176.419 176.870 0.127 0.000 1.074 44 L CA -0.334 54.578 54.840 0.120 0.000 0.817 44 L CB 0.629 42.751 42.059 0.105 0.000 1.168 44 L HN 0.169 nan 8.230 nan 0.000 0.434 45 V N 4.730 124.683 119.914 0.065 0.000 2.417 45 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 45 V C 0.467 176.580 176.094 0.033 0.000 1.024 45 V CA 0.283 62.600 62.300 0.029 0.000 0.861 45 V CB 1.401 33.199 31.823 -0.042 0.000 0.985 45 V HN 0.946 nan 8.190 nan 0.000 0.436 46 S N 1.053 116.783 115.700 0.051 0.000 2.847 46 S HA 0.184 4.654 4.470 -0.000 0.000 0.254 46 S C 0.416 175.068 174.600 0.087 0.000 1.039 46 S CA 0.044 58.288 58.200 0.073 0.000 1.113 46 S CB 0.383 63.639 63.200 0.094 0.000 1.092 46 S HN 0.780 nan 8.310 nan 0.000 0.620 47 S N 0.323 116.064 115.700 0.069 0.000 2.608 47 S HA 0.565 5.035 4.470 -0.000 0.000 0.291 47 S C 0.484 175.141 174.600 0.096 0.000 1.146 47 S CA -0.694 57.565 58.200 0.099 0.000 1.043 47 S CB 0.906 64.154 63.200 0.080 0.000 1.037 47 S HN 0.236 nan 8.310 nan 0.000 0.520 48 Y N 2.258 122.572 120.300 0.023 0.000 2.181 48 Y HA -0.054 4.496 4.550 -0.000 0.000 0.288 48 Y C 2.498 178.363 175.900 -0.060 0.000 1.146 48 Y CA 2.154 60.235 58.100 -0.031 0.000 1.164 48 Y CB -0.892 37.513 38.460 -0.092 0.000 0.982 48 Y HN 0.893 nan 8.280 nan 0.000 0.515 49 A N 0.346 123.229 122.820 0.105 0.000 1.883 49 A HA -0.195 4.125 4.320 -0.000 0.000 0.217 49 A C 2.247 179.800 177.584 -0.051 0.000 1.186 49 A CA 2.120 54.177 52.037 0.033 0.000 0.624 49 A CB -1.113 17.924 19.000 0.063 0.000 0.822 49 A HN 0.550 nan 8.150 nan 0.000 0.444 50 L N -1.205 119.992 121.223 -0.043 0.000 2.131 50 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 50 L C 2.716 179.517 176.870 -0.115 0.000 1.087 50 L CA 0.788 55.587 54.840 -0.067 0.000 0.767 50 L CB -0.791 41.239 42.059 -0.048 0.000 0.917 50 L HN 0.475 nan 8.230 nan 0.000 0.441 51 C N 0.240 119.463 119.300 -0.128 0.000 2.413 51 C HA -0.191 4.269 4.460 -0.000 0.000 0.276 51 C C 3.132 177.999 174.990 -0.205 0.000 1.236 51 C CA 1.767 60.687 59.018 -0.162 0.000 1.735 51 C CB -1.002 26.647 27.740 -0.152 0.000 2.031 51 C HN 0.665 nan 8.230 nan 0.000 0.474 52 T N -0.755 113.620 114.554 -0.299 0.000 2.821 52 T HA -0.271 4.079 4.350 -0.000 0.000 0.267 52 T C 1.773 176.394 174.700 -0.133 0.000 1.046 52 T CA 1.752 63.687 62.100 -0.276 0.000 1.139 52 T CB -0.567 68.056 68.868 -0.409 0.000 0.871 52 T HN 0.720 nan 8.240 nan 0.000 0.454 53 Q N 0.711 120.450 119.800 -0.102 0.000 2.050 53 Q HA -0.109 4.231 4.340 -0.000 0.000 0.202 53 Q C 2.384 178.396 176.000 0.019 0.000 0.980 53 Q CA 1.724 57.511 55.803 -0.025 0.000 0.840 53 Q CB -0.331 28.401 28.738 -0.012 0.000 0.898 53 Q HN 0.511 nan 8.270 nan 0.000 0.424 54 V N 1.268 121.136 119.914 -0.077 0.000 2.295 54 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 54 V C 2.396 178.495 176.094 0.009 0.000 1.049 54 V CA 1.623 63.822 62.300 -0.168 0.000 1.024 54 V CB -0.521 31.025 31.823 -0.461 0.000 0.648 54 V HN 0.399 nan 8.190 nan 0.000 0.447 55 L N -0.488 120.720 121.223 -0.025 0.000 2.201 55 L HA -0.147 4.193 4.340 -0.000 0.000 0.212 55 L C 2.466 179.378 176.870 0.070 0.000 1.105 55 L CA 1.370 56.228 54.840 0.031 0.000 0.775 55 L CB -0.524 41.532 42.059 -0.004 0.000 0.913 55 L HN 0.407 nan 8.230 nan 0.000 0.440 56 E N -0.693 119.536 120.200 0.048 0.000 2.216 56 E HA -0.126 4.224 4.350 -0.000 0.000 0.192 56 E C 0.500 177.142 176.600 0.070 0.000 0.988 56 E CA 0.226 56.652 56.400 0.043 0.000 0.834 56 E CB 0.174 29.882 29.700 0.013 0.000 0.772 56 E HN 0.216 nan 8.360 nan 0.000 0.479 57 D N 0.667 121.148 120.400 0.135 0.000 2.393 57 D HA 0.047 4.687 4.640 -0.000 0.000 0.232 57 D C 0.475 176.856 176.300 0.135 0.000 1.192 57 D CA 0.018 54.098 54.000 0.134 0.000 0.882 57 D CB 0.446 41.370 40.800 0.206 0.000 1.038 57 D HN -0.027 nan 8.370 nan 0.000 0.499 58 R N 2.418 122.953 120.500 0.059 0.000 2.293 58 R HA -0.030 4.310 4.340 -0.000 0.000 0.219 58 R C 1.641 177.962 176.300 0.034 0.000 1.091 58 R CA 0.627 56.761 56.100 0.057 0.000 1.004 58 R CB 0.292 30.602 30.300 0.016 0.000 0.865 58 R HN 0.337 nan 8.270 nan 0.000 0.469 59 R N -0.291 120.179 120.500 -0.050 0.000 2.235 59 R HA -0.006 4.334 4.340 -0.000 0.000 0.213 59 R C -0.123 176.064 176.300 -0.187 0.000 1.059 59 R CA 0.453 56.465 56.100 -0.146 0.000 0.997 59 R CB 0.074 30.224 30.300 -0.250 0.000 0.884 59 R HN -0.002 nan 8.270 nan 0.000 0.462 60 F N 0.958 120.927 119.950 0.032 0.000 2.434 60 F HA 0.136 4.663 4.527 -0.000 0.000 0.358 60 F C 0.611 176.445 175.800 0.057 0.000 1.136 60 F CA -0.289 57.734 58.000 0.039 0.000 1.157 60 F CB 1.013 40.033 39.000 0.034 0.000 1.167 60 F HN -0.213 nan 8.300 nan 0.000 0.539 61 S N 4.899 120.718 115.700 0.199 0.000 2.489 61 S HA 0.306 4.776 4.470 -0.000 0.000 0.291 61 S C 1.074 175.736 174.600 0.102 0.000 1.151 61 S CA -0.777 57.510 58.200 0.146 0.000 1.082 61 S CB 0.878 64.132 63.200 0.089 0.000 1.019 61 S HN 0.841 nan 8.310 nan 0.000 0.492 62 M N 4.850 124.488 119.600 0.063 0.000 2.156 62 M HA 0.019 4.499 4.480 -0.000 0.000 0.264 62 M C 2.085 178.358 176.300 -0.045 0.000 1.067 62 M CA 1.566 56.808 55.300 -0.096 0.000 1.131 62 M CB -0.364 31.959 32.600 -0.461 0.000 1.368 62 M HN 0.834 nan 8.290 nan 0.000 0.416 63 K N 0.162 120.568 120.400 0.011 0.000 2.063 63 K HA -0.197 4.123 4.320 -0.000 0.000 0.208 63 K C 1.425 178.028 176.600 0.004 0.000 1.048 63 K CA 1.775 58.071 56.287 0.014 0.000 0.928 63 K CB -0.163 32.366 32.500 0.048 0.000 0.713 63 K HN 0.342 nan 8.250 nan 0.000 0.442 64 E N 0.392 120.603 120.200 0.018 0.000 2.418 64 E HA -0.092 4.258 4.350 -0.000 0.000 0.197 64 E C 1.864 178.467 176.600 0.006 0.000 1.026 64 E CA 1.382 57.792 56.400 0.015 0.000 0.862 64 E CB -0.110 29.607 29.700 0.028 0.000 0.799 64 E HN 0.628 nan 8.360 nan 0.000 0.518 65 T N -1.439 113.114 114.554 -0.003 0.000 2.929 65 T HA -0.013 4.337 4.350 -0.000 0.000 0.271 65 T C 1.809 176.489 174.700 -0.032 0.000 1.085 65 T CA 1.066 63.157 62.100 -0.015 0.000 1.125 65 T CB -0.035 68.815 68.868 -0.029 0.000 0.874 65 T HN 0.109 nan 8.240 nan 0.000 0.494 66 A N 0.917 123.714 122.820 -0.037 0.000 2.251 66 A HA 0.739 5.059 4.320 -0.000 0.000 0.209 66 A C 1.361 178.922 177.584 -0.037 0.000 1.187 66 A CA 0.085 52.092 52.037 -0.049 0.000 0.823 66 A CB -0.690 18.273 19.000 -0.061 0.000 0.846 66 A HN 0.758 nan 8.150 nan 0.000 0.486 67 A N 0.427 123.233 122.820 -0.023 0.000 2.477 67 A HA 0.548 4.868 4.320 -0.000 0.000 0.246 67 A C 0.881 178.453 177.584 -0.021 0.000 1.078 67 A CA 0.176 52.202 52.037 -0.017 0.000 0.770 67 A CB -0.235 18.761 19.000 -0.007 0.000 1.011 67 A HN 1.389 nan 8.150 nan 0.000 0.494 68 A N 1.586 124.394 122.820 -0.020 0.000 2.567 68 A HA 0.460 4.780 4.320 -0.000 0.000 0.240 68 A C 1.688 179.262 177.584 -0.017 0.000 1.053 68 A CA 0.913 52.937 52.037 -0.021 0.000 0.755 68 A CB -0.721 18.268 19.000 -0.018 0.000 0.978 68 A HN 2.766 nan 8.150 nan 0.000 0.507 69 G N 0.836 109.625 108.800 -0.019 0.000 2.225 69 G HA2 0.123 4.083 3.960 -0.000 0.000 0.254 69 G HA3 0.123 4.083 3.960 -0.000 0.000 0.254 69 G C 0.692 175.583 174.900 -0.014 0.000 0.988 69 G CA 0.542 45.633 45.100 -0.016 0.000 0.625 69 G HN 2.278 nan 8.290 nan 0.000 0.527 70 A N 1.608 124.419 122.820 -0.015 0.000 2.483 70 A HA 0.595 4.915 4.320 -0.000 0.000 0.238 70 A C -1.030 176.543 177.584 -0.019 0.000 1.070 70 A CA -0.097 51.933 52.037 -0.011 0.000 0.770 70 A CB 0.036 19.031 19.000 -0.009 0.000 1.008 70 A HN 0.351 nan 8.150 nan 0.000 0.497 71 P HA 0.236 nan 4.420 nan 0.000 0.271 71 P C -0.725 176.555 177.300 -0.034 0.000 1.216 71 P CA 0.200 63.282 63.100 -0.030 0.000 0.771 71 P CB 0.533 32.213 31.700 -0.033 0.000 0.864 72 R N 1.953 122.426 120.500 -0.045 0.000 2.637 72 R HA 0.269 4.609 4.340 -0.000 0.000 0.291 72 R C 1.021 177.286 176.300 -0.059 0.000 0.963 72 R CA -0.973 55.097 56.100 -0.051 0.000 0.901 72 R CB 1.741 32.008 30.300 -0.055 0.000 1.160 72 R HN 0.305 nan 8.270 nan 0.000 0.457 73 L N 2.598 123.785 121.223 -0.060 0.000 2.027 73 L HA -0.069 4.271 4.340 -0.000 0.000 0.206 73 L C 0.297 177.125 176.870 -0.070 0.000 1.074 73 L CA 1.863 56.663 54.840 -0.067 0.000 0.745 73 L CB -0.269 41.753 42.059 -0.063 0.000 0.898 73 L HN 0.805 nan 8.230 nan 0.000 0.433 74 N N -2.150 116.507 118.700 -0.072 0.000 2.934 74 N HA 0.476 5.216 4.740 -0.000 0.000 0.253 74 N C -1.024 174.438 175.510 -0.080 0.000 1.466 74 N CA -0.451 52.554 53.050 -0.074 0.000 0.858 74 N CB 1.209 39.647 38.487 -0.081 0.000 1.459 74 N HN 0.094 nan 8.380 nan 0.000 0.532 75 A N 0.865 123.638 122.820 -0.079 0.000 2.477 75 A HA 0.300 4.620 4.320 -0.000 0.000 0.246 75 A C 0.550 178.065 177.584 -0.115 0.000 1.078 75 A CA -0.410 51.575 52.037 -0.086 0.000 0.770 75 A CB -0.185 18.770 19.000 -0.073 0.000 1.011 75 A HN 0.569 nan 8.150 nan 0.000 0.494 76 L N 2.028 123.176 121.223 -0.124 0.000 2.525 76 L HA 0.065 4.405 4.340 -0.000 0.000 0.278 76 L C 1.575 178.330 176.870 -0.192 0.000 1.218 76 L CA 0.673 55.413 54.840 -0.166 0.000 0.878 76 L CB 0.579 42.540 42.059 -0.163 0.000 1.127 76 L HN 0.987 nan 8.230 nan 0.000 0.492 77 T N -0.935 113.468 114.554 -0.252 0.000 3.085 77 T HA 0.320 4.670 4.350 -0.000 0.000 0.264 77 T C 0.020 174.473 174.700 -0.413 0.000 1.019 77 T CA -0.124 61.813 62.100 -0.272 0.000 0.910 77 T CB 0.002 68.714 68.868 -0.261 0.000 1.059 77 T HN 0.367 nan 8.240 nan 0.000 0.542 78 V N -2.932 116.679 119.914 -0.505 0.000 3.130 78 V HA 0.796 4.916 4.120 -0.000 0.000 0.310 78 V C -3.227 172.506 176.094 -0.602 0.000 1.158 78 V CA -3.198 58.590 62.300 -0.854 0.000 1.029 78 V CB 1.298 32.580 31.823 -0.902 0.000 1.057 78 V HN -0.174 nan 8.190 nan 0.000 0.436 79 P HA 0.286 nan 4.420 nan 0.000 0.267 79 P C -2.297 174.873 177.300 -0.216 0.000 1.200 79 P CA -1.058 61.857 63.100 -0.307 0.000 0.772 79 P CB 0.000 31.593 31.700 -0.180 0.000 0.855 80 P HA -0.223 nan 4.420 nan 0.000 0.216 80 P C 1.369 178.624 177.300 -0.076 0.000 1.150 80 P CA 1.472 64.511 63.100 -0.103 0.000 0.843 80 P CB -0.205 31.454 31.700 -0.069 0.000 0.787 81 E N -0.249 119.920 120.200 -0.051 0.000 2.204 81 E HA -0.090 4.260 4.350 -0.000 0.000 0.194 81 E C 1.696 178.290 176.600 -0.011 0.000 0.989 81 E CA 1.132 57.522 56.400 -0.016 0.000 0.824 81 E CB -1.303 28.404 29.700 0.011 0.000 0.756 81 E HN 0.120 nan 8.360 nan 0.000 0.477 82 V N 1.559 121.446 119.914 -0.044 0.000 2.970 82 V HA -0.145 3.975 4.120 -0.000 0.000 0.260 82 V C 2.529 178.593 176.094 -0.049 0.000 1.100 82 V CA 0.964 63.248 62.300 -0.027 0.000 1.122 82 V CB -0.150 31.619 31.823 -0.089 0.000 0.721 82 V HN 0.106 nan 8.190 nan 0.000 0.483 83 V N 0.660 120.526 119.914 -0.080 0.000 2.594 83 V HA -0.165 3.955 4.120 -0.000 0.000 0.253 83 V C 1.791 177.863 176.094 -0.037 0.000 1.069 83 V CA 1.980 64.236 62.300 -0.073 0.000 1.082 83 V CB -0.742 31.028 31.823 -0.089 0.000 0.680 83 V HN 0.650 nan 8.190 nan 0.000 0.469 84 N N 0.273 118.971 118.700 -0.002 0.000 2.376 84 N HA 0.041 4.781 4.740 -0.000 0.000 0.249 84 N C 1.127 176.679 175.510 0.070 0.000 1.140 84 N CA 0.028 53.102 53.050 0.040 0.000 0.870 84 N CB -0.546 37.967 38.487 0.042 0.000 1.124 84 N HN 0.357 nan 8.380 nan 0.000 0.505 85 N N 0.261 119.006 118.700 0.074 0.000 2.061 85 N HA -0.143 4.597 4.740 -0.000 0.000 0.193 85 N C 1.412 177.008 175.510 0.145 0.000 1.030 85 N CA 1.467 54.586 53.050 0.115 0.000 0.856 85 N CB 0.085 38.661 38.487 0.148 0.000 1.023 85 N HN 0.211 nan 8.380 nan 0.000 0.424 86 M N -0.338 119.362 119.600 0.168 0.000 2.175 86 M HA 0.056 4.536 4.480 -0.000 0.000 0.264 86 M C 2.199 178.581 176.300 0.137 0.000 1.063 86 M CA 1.258 56.670 55.300 0.188 0.000 1.119 86 M CB -1.700 31.035 32.600 0.225 0.000 1.377 86 M HN 0.292 nan 8.290 nan 0.000 0.415 87 G N 0.782 109.662 108.800 0.133 0.000 2.421 87 G HA2 -0.245 3.714 3.960 -0.000 0.000 0.216 87 G HA3 -0.245 3.714 3.960 -0.000 0.000 0.216 87 G C 1.439 176.378 174.900 0.065 0.000 1.171 87 G CA 0.839 45.994 45.100 0.092 0.000 0.775 87 G HN 0.414 nan 8.290 nan 0.000 0.543 88 N N 0.762 119.500 118.700 0.063 0.000 2.120 88 N HA -0.050 4.690 4.740 -0.000 0.000 0.188 88 N C 2.220 177.741 175.510 0.018 0.000 1.024 88 N CA 0.794 53.866 53.050 0.037 0.000 0.852 88 N CB -0.280 38.228 38.487 0.034 0.000 1.003 88 N HN 0.358 nan 8.380 nan 0.000 0.424 89 I N 1.137 121.727 120.570 0.035 0.000 2.226 89 I HA -0.248 3.922 4.170 -0.000 0.000 0.245 89 I C 2.320 178.453 176.117 0.027 0.000 1.100 89 I CA 1.034 62.341 61.300 0.012 0.000 1.374 89 I CB -0.276 37.756 38.000 0.054 0.000 1.057 89 I HN 0.075 nan 8.210 nan 0.000 0.413 90 A N 0.538 123.386 122.820 0.047 0.000 1.858 90 A HA -0.236 4.084 4.320 -0.000 0.000 0.216 90 A C 1.932 179.540 177.584 0.040 0.000 1.190 90 A CA 2.059 54.123 52.037 0.046 0.000 0.617 90 A CB -0.652 18.375 19.000 0.044 0.000 0.827 90 A HN 0.328 nan 8.150 nan 0.000 0.443 91 D N 0.096 120.516 120.400 0.035 0.000 2.221 91 D HA -0.037 4.603 4.640 -0.000 0.000 0.204 91 D C 1.883 178.204 176.300 0.035 0.000 0.982 91 D CA 1.371 55.389 54.000 0.030 0.000 0.857 91 D CB -0.282 40.534 40.800 0.026 0.000 0.934 91 D HN 0.450 nan 8.370 nan 0.000 0.475 92 A N -0.282 122.561 122.820 0.038 0.000 2.208 92 A HA 0.372 4.692 4.320 -0.000 0.000 0.209 92 A C 1.765 179.441 177.584 0.152 0.000 1.161 92 A CA 0.986 53.064 52.037 0.068 0.000 0.782 92 A CB -0.298 18.698 19.000 -0.006 0.000 0.816 92 A HN 0.231 nan 8.150 nan 0.000 0.477 93 G N -0.980 107.888 108.800 0.113 0.000 2.198 93 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.260 93 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.260 93 G C 0.462 175.503 174.900 0.234 0.000 1.025 93 G CA 0.549 45.742 45.100 0.155 0.000 0.769 93 G HN 0.539 nan 8.290 nan 0.000 0.507 94 L N -1.254 120.042 121.223 0.121 0.000 2.640 94 L HA 0.271 4.611 4.340 -0.000 0.000 0.230 94 L C 2.952 179.830 176.870 0.014 0.000 1.123 94 L CA 0.665 55.528 54.840 0.038 0.000 0.900 94 L CB -0.305 41.710 42.059 -0.073 0.000 1.146 94 L HN 0.345 nan 8.230 nan 0.000 0.484 95 R N 1.119 121.644 120.500 0.041 0.000 2.096 95 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 95 R C 2.429 178.749 176.300 0.034 0.000 1.127 95 R CA 1.954 58.079 56.100 0.042 0.000 0.968 95 R CB -1.315 29.015 30.300 0.051 0.000 0.861 95 R HN 0.430 nan 8.270 nan 0.000 0.440 96 K N 0.228 120.651 120.400 0.038 0.000 2.025 96 K HA 0.308 4.628 4.320 -0.000 0.000 0.207 96 K C 2.681 179.290 176.600 0.015 0.000 1.049 96 K CA 1.800 58.107 56.287 0.033 0.000 0.933 96 K CB -1.089 31.439 32.500 0.046 0.000 0.714 96 K HN 0.772 nan 8.250 nan 0.000 0.438 97 A N 0.360 123.181 122.820 0.002 0.000 1.874 97 A HA 0.128 4.448 4.320 -0.000 0.000 0.214 97 A C 2.592 180.145 177.584 -0.053 0.000 1.189 97 A CA 1.495 53.518 52.037 -0.023 0.000 0.615 97 A CB -0.436 18.540 19.000 -0.041 0.000 0.830 97 A HN 0.253 nan 8.150 nan 0.000 0.443 98 V N 0.223 120.085 119.914 -0.087 0.000 2.233 98 V HA -0.347 3.773 4.120 -0.000 0.000 0.247 98 V C 2.724 178.764 176.094 -0.090 0.000 1.050 98 V CA 2.258 64.455 62.300 -0.172 0.000 1.010 98 V CB -0.670 30.991 31.823 -0.270 0.000 0.637 98 V HN 0.515 nan 8.190 nan 0.000 0.444 99 M N 0.092 119.686 119.600 -0.010 0.000 2.088 99 M HA -0.274 4.205 4.480 -0.000 0.000 0.256 99 M C 2.539 178.855 176.300 0.027 0.000 1.071 99 M CA 2.985 58.312 55.300 0.045 0.000 1.097 99 M CB -1.289 31.344 32.600 0.055 0.000 1.315 99 M HN 0.532 nan 8.290 nan 0.000 0.406 100 K N -0.095 120.311 120.400 0.010 0.000 2.103 100 K HA 0.018 4.338 4.320 -0.000 0.000 0.207 100 K C 2.099 178.700 176.600 0.001 0.000 1.048 100 K CA 1.853 58.144 56.287 0.007 0.000 0.930 100 K CB -1.487 31.015 32.500 0.003 0.000 0.716 100 K HN 0.560 nan 8.250 nan 0.000 0.444 101 A N 1.086 123.897 122.820 -0.014 0.000 2.067 101 A HA 0.132 4.452 4.320 -0.000 0.000 0.219 101 A C 2.042 179.625 177.584 -0.001 0.000 1.158 101 A CA 1.423 53.449 52.037 -0.019 0.000 0.661 101 A CB -0.480 18.493 19.000 -0.044 0.000 0.801 101 A HN 0.959 nan 8.150 nan 0.000 0.452 102 I N -4.436 116.146 120.570 0.021 0.000 3.927 102 I HA 0.273 4.442 4.170 -0.000 0.000 0.332 102 I C 0.336 176.481 176.117 0.047 0.000 1.485 102 I CA -0.228 61.104 61.300 0.053 0.000 1.131 102 I CB 0.196 38.277 38.000 0.134 0.000 1.092 102 I HN -0.041 nan 8.210 nan 0.000 0.410 103 T N 3.073 117.646 114.554 0.032 0.000 2.845 103 T HA 0.366 4.716 4.350 -0.000 0.000 0.288 103 T C -1.014 173.700 174.700 0.024 0.000 0.980 103 T CA -1.382 60.735 62.100 0.027 0.000 1.071 103 T CB 1.290 70.172 68.868 0.024 0.000 0.941 103 T HN 0.168 nan 8.240 nan 0.000 0.487 104 P HA 0.007 nan 4.420 nan 0.000 0.217 104 P C 0.831 178.151 177.300 0.033 0.000 1.150 104 P CA 0.984 64.105 63.100 0.035 0.000 0.832 104 P CB 0.000 31.727 31.700 0.043 0.000 0.787 105 K N 0.174 120.591 120.400 0.028 0.000 2.878 105 K HA 0.416 4.736 4.320 -0.000 0.000 0.242 105 K C 0.978 177.591 176.600 0.022 0.000 0.985 105 K CA 0.406 56.709 56.287 0.026 0.000 1.168 105 K CB -1.518 30.995 32.500 0.023 0.000 0.993 105 K HN 0.424 nan 8.250 nan 0.000 0.476 106 A N 1.654 124.487 122.820 0.021 0.000 2.351 106 A HA 0.564 4.884 4.320 -0.000 0.000 0.257 106 A C -2.265 175.329 177.584 0.016 0.000 1.087 106 A CA -1.438 50.607 52.037 0.013 0.000 0.798 106 A CB 0.009 19.011 19.000 0.005 0.000 1.033 106 A HN 0.342 nan 8.150 nan 0.000 0.488 107 P HA 0.206 nan 4.420 nan 0.000 0.258 107 P C 1.018 178.328 177.300 0.017 0.000 1.187 107 P CA 1.973 65.081 63.100 0.012 0.000 0.767 107 P CB 0.320 32.023 31.700 0.005 0.000 0.770 108 G N 2.954 111.773 108.800 0.031 0.000 2.212 108 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.266 108 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.266 108 G C 0.779 175.730 174.900 0.084 0.000 0.978 108 G CA 0.191 45.322 45.100 0.051 0.000 0.632 108 G HN 0.542 nan 8.290 nan 0.000 0.537 109 L N 0.716 121.980 121.223 0.068 0.000 2.027 109 L HA 0.093 4.433 4.340 -0.000 0.000 0.206 109 L C 2.463 179.415 176.870 0.138 0.000 1.074 109 L CA 2.858 57.757 54.840 0.098 0.000 0.745 109 L CB -0.893 41.198 42.059 0.054 0.000 0.898 109 L HN 0.526 nan 8.230 nan 0.000 0.433 110 E N -0.492 119.762 120.200 0.091 0.000 2.086 110 E HA -0.339 4.010 4.350 -0.000 0.000 0.200 110 E C 2.058 178.704 176.600 0.075 0.000 1.012 110 E CA 1.889 58.334 56.400 0.075 0.000 0.812 110 E CB 0.061 29.793 29.700 0.053 0.000 0.743 110 E HN 0.428 nan 8.360 nan 0.000 0.453 111 Q N -0.050 119.801 119.800 0.085 0.000 2.167 111 Q HA -0.137 4.203 4.340 -0.000 0.000 0.202 111 Q C 1.749 177.805 176.000 0.092 0.000 0.970 111 Q CA 1.177 57.023 55.803 0.073 0.000 0.855 111 Q CB -0.405 28.375 28.738 0.070 0.000 0.911 111 Q HN 0.329 nan 8.270 nan 0.000 0.438 112 F N -0.321 119.633 119.950 0.007 0.000 2.102 112 F HA -0.169 4.358 4.527 -0.000 0.000 0.298 112 F C 1.559 177.362 175.800 0.004 0.000 1.105 112 F CA 1.189 59.193 58.000 0.007 0.000 1.239 112 F CB -0.088 38.917 39.000 0.008 0.000 0.991 112 F HN 0.096 nan 8.300 nan 0.000 0.474 113 L N 0.213 121.419 121.223 -0.027 0.000 2.013 113 L HA -0.278 4.062 4.340 -0.000 0.000 0.212 113 L C 2.736 179.504 176.870 -0.171 0.000 1.073 113 L CA 1.703 56.468 54.840 -0.125 0.000 0.753 113 L CB -0.624 41.435 42.059 -0.001 0.000 0.890 113 L HN 0.090 nan 8.230 nan 0.000 0.432 114 R N -0.275 120.170 120.500 -0.092 0.000 2.070 114 R HA -0.174 4.166 4.340 -0.000 0.000 0.233 114 R C 1.961 178.199 176.300 -0.104 0.000 1.137 114 R CA 1.742 57.799 56.100 -0.072 0.000 0.945 114 R CB -0.572 29.710 30.300 -0.031 0.000 0.845 114 R HN 0.394 nan 8.270 nan 0.000 0.430 115 D N -0.166 120.156 120.400 -0.130 0.000 2.116 115 D HA -0.135 4.505 4.640 -0.000 0.000 0.193 115 D C 1.879 178.057 176.300 -0.202 0.000 0.998 115 D CA 1.722 55.639 54.000 -0.139 0.000 0.836 115 D CB -0.482 40.247 40.800 -0.118 0.000 0.951 115 D HN 0.212 nan 8.370 nan 0.000 0.449 116 T N 0.712 115.043 114.554 -0.372 0.000 2.737 116 T HA -0.086 4.264 4.350 -0.000 0.000 0.265 116 T C 2.067 176.660 174.700 -0.178 0.000 1.038 116 T CA 1.559 63.441 62.100 -0.363 0.000 1.144 116 T CB -0.430 68.078 68.868 -0.600 0.000 0.866 116 T HN 0.212 nan 8.240 nan 0.000 0.434 117 A N 2.496 125.229 122.820 -0.144 0.000 1.917 117 A HA -0.209 4.111 4.320 -0.000 0.000 0.219 117 A C 2.277 179.907 177.584 0.078 0.000 1.182 117 A CA 1.641 53.693 52.037 0.025 0.000 0.633 117 A CB -0.645 18.377 19.000 0.038 0.000 0.819 117 A HN 0.415 nan 8.150 nan 0.000 0.448 118 N N -0.180 118.510 118.700 -0.017 0.000 2.270 118 N HA -0.084 4.656 4.740 -0.000 0.000 0.181 118 N C 2.170 177.657 175.510 -0.039 0.000 1.016 118 N CA 1.414 54.444 53.050 -0.034 0.000 0.870 118 N CB -0.395 38.065 38.487 -0.044 0.000 0.979 118 N HN 0.592 nan 8.380 nan 0.000 0.431 119 S N 1.542 117.218 115.700 -0.040 0.000 2.368 119 S HA 0.011 4.481 4.470 -0.000 0.000 0.224 119 S C 2.176 176.765 174.600 -0.018 0.000 1.029 119 S CA 0.750 58.931 58.200 -0.032 0.000 0.988 119 S CB -0.409 62.770 63.200 -0.036 0.000 0.838 119 S HN 0.086 nan 8.310 nan 0.000 0.462 120 L N 0.452 121.680 121.223 0.008 0.000 2.012 120 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 120 L C 2.497 179.371 176.870 0.007 0.000 1.073 120 L CA 1.086 55.958 54.840 0.053 0.000 0.748 120 L CB -0.551 41.610 42.059 0.169 0.000 0.891 120 L HN 0.398 nan 8.230 nan 0.000 0.431 121 L N -0.754 120.441 121.223 -0.048 0.000 2.056 121 L HA -0.209 4.131 4.340 -0.000 0.000 0.207 121 L C 2.318 179.086 176.870 -0.171 0.000 1.078 121 L CA 1.012 55.719 54.840 -0.221 0.000 0.749 121 L CB -0.681 41.195 42.059 -0.305 0.000 0.901 121 L HN 0.260 nan 8.230 nan 0.000 0.433 122 D N 0.158 120.498 120.400 -0.099 0.000 2.133 122 D HA -0.181 4.459 4.640 -0.000 0.000 0.195 122 D C 1.928 178.207 176.300 -0.035 0.000 0.997 122 D CA 1.183 55.145 54.000 -0.062 0.000 0.840 122 D CB -0.372 40.404 40.800 -0.039 0.000 0.947 122 D HN 0.294 nan 8.370 nan 0.000 0.452 123 N N 0.453 119.138 118.700 -0.026 0.000 2.166 123 N HA -0.087 4.653 4.740 -0.000 0.000 0.186 123 N C 2.101 177.616 175.510 0.008 0.000 1.019 123 N CA 0.380 53.428 53.050 -0.004 0.000 0.856 123 N CB -0.430 38.058 38.487 0.002 0.000 0.993 123 N HN 0.282 nan 8.380 nan 0.000 0.426 124 L N 0.418 121.625 121.223 -0.025 0.000 2.056 124 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 124 L C 2.093 179.032 176.870 0.115 0.000 1.078 124 L CA 0.808 55.651 54.840 0.004 0.000 0.749 124 L CB -0.344 41.628 42.059 -0.145 0.000 0.901 124 L HN 0.090 nan 8.230 nan 0.000 0.433 125 I N -0.119 120.473 120.570 0.037 0.000 2.252 125 I HA -0.275 3.895 4.170 -0.000 0.000 0.245 125 I C 2.794 179.013 176.117 0.169 0.000 1.102 125 I CA 1.839 63.252 61.300 0.189 0.000 1.385 125 I CB -0.462 37.568 38.000 0.050 0.000 1.064 125 I HN 0.411 nan 8.210 nan 0.000 0.414 126 T N -1.516 113.088 114.554 0.084 0.000 2.867 126 T HA -0.127 4.223 4.350 -0.000 0.000 0.268 126 T C 1.692 176.430 174.700 0.063 0.000 1.057 126 T CA 1.030 63.167 62.100 0.062 0.000 1.136 126 T CB -0.170 68.719 68.868 0.034 0.000 0.874 126 T HN 0.225 nan 8.240 nan 0.000 0.466 127 E N 1.316 121.562 120.200 0.077 0.000 2.285 127 E HA 0.264 4.614 4.350 -0.000 0.000 0.194 127 E C 1.423 178.061 176.600 0.064 0.000 0.997 127 E CA 0.775 57.212 56.400 0.063 0.000 0.845 127 E CB -0.429 29.308 29.700 0.061 0.000 0.782 127 E HN 0.821 nan 8.360 nan 0.000 0.491 128 G N 0.880 109.749 108.800 0.115 0.000 2.705 128 G HA2 -0.057 3.903 3.960 -0.000 0.000 0.686 128 G HA3 -0.057 3.903 3.960 -0.000 0.000 0.686 128 G C -0.039 174.852 174.900 -0.015 0.000 1.285 128 G CA -0.446 44.674 45.100 0.033 0.000 0.800 128 G HN 0.392 nan 8.290 nan 0.000 0.611 129 A N 2.456 125.066 122.820 -0.351 0.000 2.466 129 A HA 0.675 4.995 4.320 -0.000 0.000 0.238 129 A C -0.605 176.875 177.584 -0.174 0.000 1.074 129 A CA 0.245 52.039 52.037 -0.405 0.000 0.774 129 A CB -0.271 18.233 19.000 -0.826 0.000 1.015 129 A HN 1.104 nan 8.150 nan 0.000 0.498 130 P HA 0.554 nan 4.420 nan 0.000 0.281 130 P C -0.721 176.636 177.300 0.096 0.000 1.249 130 P CA -0.163 62.930 63.100 -0.012 0.000 0.810 130 P CB 1.386 33.077 31.700 -0.016 0.000 1.008 131 A N 1.150 124.095 122.820 0.208 0.000 2.355 131 A HA 0.451 4.771 4.320 -0.000 0.000 0.324 131 A C -0.625 177.014 177.584 0.091 0.000 1.117 131 A CA -0.493 51.651 52.037 0.177 0.000 0.785 131 A CB 0.798 19.938 19.000 0.232 0.000 1.254 131 A HN 0.518 nan 8.150 nan 0.000 0.453 132 D N 2.480 122.912 120.400 0.053 0.000 2.428 132 D HA 0.286 4.926 4.640 -0.000 0.000 0.221 132 D C 0.658 176.981 176.300 0.038 0.000 1.123 132 D CA -0.220 53.797 54.000 0.028 0.000 0.869 132 D CB 0.477 41.284 40.800 0.012 0.000 1.032 132 D HN 0.416 nan 8.370 nan 0.000 0.506 133 L N 3.092 124.338 121.223 0.039 0.000 2.465 133 L HA 0.018 4.358 4.340 -0.000 0.000 0.224 133 L C 2.301 179.241 176.870 0.116 0.000 1.145 133 L CA 0.310 55.202 54.840 0.088 0.000 0.834 133 L CB -0.057 42.037 42.059 0.059 0.000 0.944 133 L HN 0.354 nan 8.230 nan 0.000 0.451 134 R N 0.377 120.904 120.500 0.044 0.000 2.048 134 R HA -0.039 4.301 4.340 -0.000 0.000 0.224 134 R C 1.984 178.289 176.300 0.009 0.000 1.163 134 R CA 0.957 57.071 56.100 0.022 0.000 0.956 134 R CB 0.087 30.382 30.300 -0.009 0.000 0.849 134 R HN 0.289 nan 8.270 nan 0.000 0.435 135 N N 0.526 119.229 118.700 0.005 0.000 2.409 135 N HA -0.084 4.656 4.740 -0.000 0.000 0.179 135 N C 0.008 175.503 175.510 -0.025 0.000 1.032 135 N CA 0.979 54.022 53.050 -0.012 0.000 0.898 135 N CB 0.219 38.708 38.487 0.003 0.000 0.971 135 N HN 0.296 nan 8.380 nan 0.000 0.441 136 D N -1.460 118.950 120.400 0.018 0.000 2.469 136 D HA 0.142 4.782 4.640 -0.000 0.000 0.215 136 D C 0.476 176.846 176.300 0.117 0.000 1.154 136 D CA -0.121 53.901 54.000 0.035 0.000 0.832 136 D CB 0.500 41.321 40.800 0.035 0.000 1.008 136 D HN 0.185 nan 8.370 nan 0.000 0.506 137 F N 0.405 120.307 119.950 -0.080 0.000 1.832 137 F HA 0.295 4.822 4.527 -0.000 0.000 0.236 137 F C 1.878 177.637 175.800 -0.068 0.000 1.180 137 F CA 0.317 58.264 58.000 -0.087 0.000 1.297 137 F CB -0.087 38.851 39.000 -0.103 0.000 1.748 137 F HN -0.140 nan 8.300 nan 0.000 0.453 138 A N 0.446 123.140 122.820 -0.210 0.000 1.873 138 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 138 A C 1.668 179.155 177.584 -0.162 0.000 1.186 138 A CA 2.286 54.154 52.037 -0.282 0.000 0.616 138 A CB -1.012 17.951 19.000 -0.062 0.000 0.823 138 A HN 0.524 nan 8.150 nan 0.000 0.442 139 D N -0.474 119.848 120.400 -0.131 0.000 2.097 139 D HA -0.061 4.579 4.640 -0.000 0.000 0.197 139 D C -0.405 175.723 176.300 -0.286 0.000 0.984 139 D CA 1.486 55.371 54.000 -0.192 0.000 0.826 139 D CB -1.547 39.114 40.800 -0.231 0.000 0.973 139 D HN 0.278 nan 8.370 nan 0.000 0.460 140 P HA -0.128 nan 4.420 nan 0.000 0.216 140 P C 1.722 178.944 177.300 -0.131 0.000 1.153 140 P CA 0.711 63.690 63.100 -0.202 0.000 0.858 140 P CB 0.010 31.624 31.700 -0.143 0.000 0.789 141 L N -0.341 120.778 121.223 -0.173 0.000 2.046 141 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 141 L C 2.277 179.200 176.870 0.088 0.000 1.077 141 L CA 2.088 56.852 54.840 -0.128 0.000 0.747 141 L CB -1.559 40.279 42.059 -0.369 0.000 0.896 141 L HN -0.112 nan 8.230 nan 0.000 0.432 142 A N -1.581 121.318 122.820 0.133 0.000 1.883 142 A HA -0.238 4.082 4.320 -0.000 0.000 0.217 142 A C 2.294 179.948 177.584 0.117 0.000 1.186 142 A CA 2.515 54.599 52.037 0.079 0.000 0.624 142 A CB -1.283 17.663 19.000 -0.090 0.000 0.822 142 A HN 0.512 nan 8.150 nan 0.000 0.444 143 T N 0.082 114.636 114.554 0.001 0.000 2.737 143 T HA 0.028 4.378 4.350 -0.000 0.000 0.265 143 T C 2.262 177.075 174.700 0.188 0.000 1.038 143 T CA 1.596 63.723 62.100 0.044 0.000 1.144 143 T CB -0.500 68.359 68.868 -0.015 0.000 0.866 143 T HN 0.610 nan 8.240 nan 0.000 0.434 144 A N 1.590 124.507 122.820 0.161 0.000 1.865 144 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 144 A C 2.256 180.067 177.584 0.378 0.000 1.191 144 A CA 1.621 53.820 52.037 0.269 0.000 0.623 144 A CB -1.034 18.084 19.000 0.196 0.000 0.826 144 A HN 0.413 nan 8.150 nan 0.000 0.444 145 L N -0.620 120.793 121.223 0.317 0.000 2.021 145 L HA -0.257 4.083 4.340 -0.000 0.000 0.215 145 L C 2.262 179.138 176.870 0.011 0.000 1.074 145 L CA 2.830 57.803 54.840 0.221 0.000 0.760 145 L CB -0.880 41.245 42.059 0.110 0.000 0.889 145 L HN 0.565 nan 8.230 nan 0.000 0.433 146 H N -2.271 116.860 119.070 0.101 0.000 2.428 146 H HA -0.046 4.510 4.556 -0.000 0.000 0.296 146 H C 2.322 177.784 175.328 0.223 0.000 1.062 146 H CA 1.538 57.646 56.048 0.100 0.000 1.350 146 H CB -0.521 29.180 29.762 -0.103 0.000 1.403 146 H HN 0.407 nan 8.280 nan 0.000 0.533 147 C N 0.545 120.054 119.300 0.347 0.000 2.425 147 C HA -0.111 4.349 4.460 -0.000 0.000 0.277 147 C C 2.651 177.702 174.990 0.102 0.000 1.280 147 C CA 1.165 60.347 59.018 0.273 0.000 1.744 147 C CB -0.342 27.547 27.740 0.248 0.000 1.989 147 C HN 0.479 nan 8.230 nan 0.000 0.491 148 K N 1.313 121.714 120.400 0.002 0.000 2.025 148 K HA -0.059 4.261 4.320 -0.000 0.000 0.207 148 K C 1.794 178.326 176.600 -0.113 0.000 1.049 148 K CA 1.610 57.777 56.287 -0.200 0.000 0.933 148 K CB -0.785 31.387 32.500 -0.548 0.000 0.714 148 K HN 0.245 nan 8.250 nan 0.000 0.438 149 V N 0.812 120.690 119.914 -0.060 0.000 2.332 149 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 149 V C 2.148 178.255 176.094 0.021 0.000 1.055 149 V CA 1.660 63.940 62.300 -0.033 0.000 1.038 149 V CB -0.386 31.397 31.823 -0.066 0.000 0.651 149 V HN 0.234 nan 8.190 nan 0.000 0.450 150 L N -0.079 121.196 121.223 0.086 0.000 2.341 150 L HA 0.268 4.608 4.340 -0.000 0.000 0.214 150 L C 1.862 178.766 176.870 0.058 0.000 1.115 150 L CA 1.639 56.545 54.840 0.111 0.000 0.820 150 L CB -0.507 41.682 42.059 0.217 0.000 0.944 150 L HN 0.490 nan 8.230 nan 0.000 0.452 151 G N -0.145 108.674 108.800 0.031 0.000 2.157 151 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.248 151 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.248 151 G C 0.459 175.371 174.900 0.020 0.000 0.979 151 G CA 0.296 45.397 45.100 0.000 0.000 0.650 151 G HN 0.427 nan 8.290 nan 0.000 0.529 152 I N -1.591 119.020 120.570 0.067 0.000 2.677 152 I HA 0.735 4.905 4.170 -0.000 0.000 0.305 152 I C -2.137 174.036 176.117 0.094 0.000 0.988 152 I CA -3.037 58.320 61.300 0.095 0.000 1.260 152 I CB 0.886 38.989 38.000 0.172 0.000 1.410 152 I HN -0.159 nan 8.210 nan 0.000 0.523 153 P HA 0.018 nan 4.420 nan 0.000 0.264 153 P C 0.068 177.424 177.300 0.094 0.000 1.193 153 P CA -0.022 63.128 63.100 0.083 0.000 0.763 153 P CB 0.485 32.238 31.700 0.088 0.000 0.810 154 Q N 2.954 122.807 119.800 0.088 0.000 2.197 154 Q HA -0.215 4.125 4.340 -0.000 0.000 0.207 154 Q C 2.144 178.199 176.000 0.091 0.000 0.984 154 Q CA 2.357 58.226 55.803 0.110 0.000 0.869 154 Q CB -0.721 28.092 28.738 0.125 0.000 0.906 154 Q HN 0.724 nan 8.270 nan 0.000 0.426 155 E N 1.407 121.649 120.200 0.070 0.000 2.338 155 E HA -0.145 4.205 4.350 -0.000 0.000 0.197 155 E C 1.138 177.758 176.600 0.032 0.000 1.007 155 E CA 1.282 57.713 56.400 0.052 0.000 0.849 155 E CB -0.280 29.447 29.700 0.046 0.000 0.774 155 E HN 0.335 nan 8.360 nan 0.000 0.506 156 D N -0.663 119.753 120.400 0.027 0.000 2.350 156 D HA 0.086 4.726 4.640 -0.000 0.000 0.213 156 D C 2.053 178.286 176.300 -0.113 0.000 1.031 156 D CA 0.741 54.700 54.000 -0.069 0.000 0.861 156 D CB -0.037 40.726 40.800 -0.061 0.000 0.926 156 D HN 0.409 nan 8.370 nan 0.000 0.520 157 G N 2.206 111.018 108.800 0.021 0.000 2.433 157 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.216 157 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.216 157 G C -0.645 174.355 174.900 0.167 0.000 1.186 157 G CA 0.428 45.609 45.100 0.135 0.000 0.779 157 G HN 0.262 nan 8.290 nan 0.000 0.543 158 P HA -0.095 nan 4.420 nan 0.000 0.216 158 P C 2.253 179.653 177.300 0.167 0.000 1.157 158 P CA 2.986 66.182 63.100 0.161 0.000 0.880 158 P CB -0.162 31.589 31.700 0.084 0.000 0.791 159 K N 0.030 120.449 120.400 0.032 0.000 2.002 159 K HA -0.151 4.169 4.320 -0.000 0.000 0.209 159 K C 2.164 178.728 176.600 -0.060 0.000 1.048 159 K CA 1.949 58.216 56.287 -0.034 0.000 0.930 159 K CB -1.882 30.542 32.500 -0.127 0.000 0.714 159 K HN 0.105 nan 8.250 nan 0.000 0.438 160 L N -1.098 120.015 121.223 -0.183 0.000 2.043 160 L HA -0.115 4.225 4.340 -0.000 0.000 0.212 160 L C 2.667 179.600 176.870 0.105 0.000 1.075 160 L CA 1.801 56.487 54.840 -0.256 0.000 0.752 160 L CB -0.464 41.099 42.059 -0.827 0.000 0.891 160 L HN 0.498 nan 8.230 nan 0.000 0.432 161 F N 1.227 121.291 119.950 0.190 0.000 2.161 161 F HA -0.290 4.236 4.527 -0.000 0.000 0.300 161 F C 2.823 178.720 175.800 0.161 0.000 1.089 161 F CA 2.052 60.220 58.000 0.280 0.000 1.282 161 F CB -0.534 38.593 39.000 0.213 0.000 1.010 161 F HN -0.048 nan 8.300 nan 0.000 0.485 162 R N 0.140 120.654 120.500 0.024 0.000 2.159 162 R HA -0.105 4.235 4.340 -0.000 0.000 0.237 162 R C 2.198 178.446 176.300 -0.087 0.000 1.131 162 R CA 1.737 57.801 56.100 -0.060 0.000 0.982 162 R CB -1.979 28.341 30.300 0.034 0.000 0.868 162 R HN 0.453 nan 8.270 nan 0.000 0.453 163 S N 0.800 116.478 115.700 -0.037 0.000 2.447 163 S HA 0.042 4.512 4.470 -0.000 0.000 0.233 163 S C 1.903 176.525 174.600 0.037 0.000 1.006 163 S CA 1.136 59.344 58.200 0.013 0.000 0.957 163 S CB -0.172 63.059 63.200 0.052 0.000 0.773 163 S HN 0.528 nan 8.310 nan 0.000 0.507 164 L N 1.527 122.728 121.223 -0.037 0.000 2.179 164 L HA -0.029 4.311 4.340 -0.000 0.000 0.208 164 L C 2.599 179.608 176.870 0.230 0.000 1.096 164 L CA 1.160 56.070 54.840 0.116 0.000 0.779 164 L CB -0.759 41.275 42.059 -0.042 0.000 0.922 164 L HN 0.411 nan 8.230 nan 0.000 0.443 165 S N -0.212 115.510 115.700 0.037 0.000 2.474 165 S HA -0.068 4.402 4.470 -0.000 0.000 0.235 165 S C 1.717 176.458 174.600 0.235 0.000 0.997 165 S CA 0.777 59.019 58.200 0.069 0.000 0.949 165 S CB -0.291 62.834 63.200 -0.125 0.000 0.766 165 S HN 0.430 nan 8.310 nan 0.000 0.517 166 I N 0.873 121.545 120.570 0.169 0.000 3.039 166 I HA 0.207 4.377 4.170 -0.000 0.000 0.270 166 I C 2.885 179.061 176.117 0.098 0.000 1.150 166 I CA 0.621 62.001 61.300 0.134 0.000 1.448 166 I CB -0.492 37.545 38.000 0.062 0.000 1.197 166 I HN 0.360 nan 8.210 nan 0.000 0.450 167 A N 0.894 123.763 122.820 0.082 0.000 1.972 167 A HA -0.140 4.179 4.320 -0.000 0.000 0.219 167 A C 1.652 179.023 177.584 -0.354 0.000 1.169 167 A CA 1.613 53.599 52.037 -0.086 0.000 0.635 167 A CB -0.709 18.280 19.000 -0.019 0.000 0.810 167 A HN 0.414 nan 8.150 nan 0.000 0.446 168 F N -0.543 119.333 119.950 -0.123 0.000 2.639 168 F HA 0.359 4.886 4.527 -0.000 0.000 0.300 168 F C 0.789 176.183 175.800 -0.677 0.000 1.109 168 F CA -0.314 57.408 58.000 -0.464 0.000 1.335 168 F CB -0.249 38.344 39.000 -0.677 0.000 1.014 168 F HN 0.034 nan 8.300 nan 0.000 0.537 169 M N 0.033 119.581 119.600 -0.086 0.000 2.252 169 M HA -0.041 4.439 4.480 -0.000 0.000 0.329 169 M C 0.743 176.984 176.300 -0.099 0.000 1.101 169 M CA 0.621 55.941 55.300 0.033 0.000 1.117 169 M CB 0.478 33.138 32.600 0.101 0.000 1.563 169 M HN -0.066 nan 8.290 nan 0.000 0.445 170 S N 1.904 117.581 115.700 -0.038 0.000 2.516 170 S HA 0.343 4.813 4.470 -0.000 0.000 0.268 170 S C -0.677 173.908 174.600 -0.024 0.000 1.251 170 S CA -0.536 57.629 58.200 -0.059 0.000 1.153 170 S CB 0.485 63.647 63.200 -0.063 0.000 1.009 170 S HN 0.663 nan 8.310 nan 0.000 0.479 171 S N 3.064 118.741 115.700 -0.037 0.000 2.549 171 S HA 0.708 5.178 4.470 -0.000 0.000 0.297 171 S C 1.156 175.734 174.600 -0.036 0.000 1.115 171 S CA -0.212 57.974 58.200 -0.025 0.000 1.059 171 S CB 1.378 64.563 63.200 -0.024 0.000 1.046 171 S HN 0.817 nan 8.310 nan 0.000 0.506 172 A N 3.031 125.835 122.820 -0.028 0.000 2.014 172 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 172 A C 0.420 177.984 177.584 -0.034 0.000 1.163 172 A CA 0.943 52.961 52.037 -0.032 0.000 0.652 172 A CB -0.234 18.751 19.000 -0.025 0.000 0.808 172 A HN 0.819 nan 8.150 nan 0.000 0.449 173 D N -1.326 119.055 120.400 -0.031 0.000 2.490 173 D HA 0.458 5.098 4.640 -0.000 0.000 0.232 173 D C -2.974 173.304 176.300 -0.036 0.000 1.053 173 D CA -1.575 52.406 54.000 -0.031 0.000 0.914 173 D CB 0.910 41.696 40.800 -0.022 0.000 1.431 173 D HN -0.148 nan 8.370 nan 0.000 0.483 174 P HA 0.124 nan 4.420 nan 0.000 0.266 174 P C -0.442 176.838 177.300 -0.034 0.000 1.193 174 P CA 0.239 63.313 63.100 -0.044 0.000 0.770 174 P CB 0.532 32.208 31.700 -0.041 0.000 0.836 175 I N 4.123 124.671 120.570 -0.038 0.000 2.405 175 I HA 0.210 4.380 4.170 -0.000 0.000 0.280 175 I C -1.616 174.491 176.117 -0.016 0.000 1.027 175 I CA -2.080 59.206 61.300 -0.023 0.000 1.161 175 I CB 1.749 39.735 38.000 -0.024 0.000 1.300 175 I HN 0.224 nan 8.210 nan 0.000 0.463 176 P HA -0.231 nan 4.420 nan 0.000 0.216 176 P C 1.624 178.931 177.300 0.012 0.000 1.153 176 P CA 1.294 64.394 63.100 0.001 0.000 0.858 176 P CB 0.350 32.052 31.700 0.003 0.000 0.789 177 A N -0.331 122.497 122.820 0.013 0.000 1.972 177 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 177 A C 2.284 179.889 177.584 0.036 0.000 1.169 177 A CA 1.887 53.938 52.037 0.023 0.000 0.635 177 A CB -1.458 17.554 19.000 0.020 0.000 0.810 177 A HN 0.208 nan 8.150 nan 0.000 0.446 178 A N 0.036 122.871 122.820 0.024 0.000 1.902 178 A HA -0.152 4.168 4.320 -0.000 0.000 0.217 178 A C 2.070 179.702 177.584 0.081 0.000 1.181 178 A CA 2.290 54.346 52.037 0.031 0.000 0.623 178 A CB -0.399 18.582 19.000 -0.031 0.000 0.818 178 A HN 0.458 nan 8.150 nan 0.000 0.443 179 K N 0.331 120.763 120.400 0.053 0.000 2.026 179 K HA -0.053 4.267 4.320 -0.000 0.000 0.208 179 K C 1.619 178.302 176.600 0.138 0.000 1.048 179 K CA 1.750 58.094 56.287 0.094 0.000 0.929 179 K CB -0.584 31.940 32.500 0.040 0.000 0.713 179 K HN 0.509 nan 8.250 nan 0.000 0.439 180 I N 0.985 121.607 120.570 0.087 0.000 2.127 180 I HA -0.334 3.836 4.170 -0.000 0.000 0.241 180 I C 1.873 178.039 176.117 0.081 0.000 1.075 180 I CA 1.386 62.729 61.300 0.072 0.000 1.334 180 I CB -0.513 37.514 38.000 0.044 0.000 1.040 180 I HN 0.241 nan 8.210 nan 0.000 0.405 181 N N 0.267 119.020 118.700 0.089 0.000 2.166 181 N HA -0.221 4.519 4.740 -0.000 0.000 0.186 181 N C 1.539 177.111 175.510 0.104 0.000 1.019 181 N CA 1.199 54.295 53.050 0.077 0.000 0.856 181 N CB -0.450 38.082 38.487 0.075 0.000 0.993 181 N HN 0.558 nan 8.380 nan 0.000 0.426 182 W N 2.522 123.816 121.300 -0.010 0.000 2.333 182 W HA -0.183 4.477 4.660 -0.000 0.000 0.316 182 W C 0.867 177.392 176.519 0.010 0.000 1.215 182 W CA 1.321 58.663 57.345 -0.005 0.000 1.278 182 W CB -0.207 29.242 29.460 -0.018 0.000 1.154 182 W HN 0.044 nan 8.180 nan 0.000 0.486 183 D N -0.173 120.297 120.400 0.118 0.000 2.123 183 D HA -0.211 4.429 4.640 -0.000 0.000 0.196 183 D C 2.227 178.487 176.300 -0.066 0.000 0.992 183 D CA 1.565 55.577 54.000 0.019 0.000 0.833 183 D CB -0.580 40.274 40.800 0.091 0.000 0.954 183 D HN 0.211 nan 8.370 nan 0.000 0.455 184 R N 0.505 120.986 120.500 -0.033 0.000 2.073 184 R HA -0.128 4.212 4.340 -0.000 0.000 0.234 184 R C 1.337 177.603 176.300 -0.057 0.000 1.134 184 R CA 1.414 57.496 56.100 -0.030 0.000 0.952 184 R CB 0.079 30.371 30.300 -0.013 0.000 0.850 184 R HN 0.057 nan 8.270 nan 0.000 0.433 185 D N 0.469 120.794 120.400 -0.124 0.000 2.144 185 D HA -0.135 4.505 4.640 -0.000 0.000 0.200 185 D C 1.895 178.086 176.300 -0.182 0.000 0.978 185 D CA 0.737 54.648 54.000 -0.148 0.000 0.833 185 D CB -0.066 40.612 40.800 -0.204 0.000 0.961 185 D HN 0.211 nan 8.370 nan 0.000 0.470 186 I N 1.220 121.572 120.570 -0.364 0.000 2.226 186 I HA -0.203 3.967 4.170 -0.000 0.000 0.245 186 I C 2.402 178.431 176.117 -0.146 0.000 1.100 186 I CA 1.041 62.136 61.300 -0.341 0.000 1.374 186 I CB -0.856 36.874 38.000 -0.451 0.000 1.057 186 I HN 0.149 nan 8.210 nan 0.000 0.413 187 E N 0.402 120.544 120.200 -0.096 0.000 2.077 187 E HA -0.303 4.047 4.350 -0.000 0.000 0.193 187 E C 2.444 179.021 176.600 -0.039 0.000 0.989 187 E CA 1.380 57.751 56.400 -0.048 0.000 0.800 187 E CB -0.387 29.300 29.700 -0.022 0.000 0.746 187 E HN 0.454 nan 8.360 nan 0.000 0.452 188 Y N 0.869 121.104 120.300 -0.107 0.000 2.097 188 Y HA -0.267 4.283 4.550 -0.000 0.000 0.282 188 Y C 2.219 178.062 175.900 -0.095 0.000 1.152 188 Y CA 2.157 60.198 58.100 -0.098 0.000 1.136 188 Y CB -0.198 38.193 38.460 -0.116 0.000 0.975 188 Y HN 0.079 nan 8.280 nan 0.000 0.498 189 M N 0.055 119.585 119.600 -0.117 0.000 2.159 189 M HA -0.164 4.316 4.480 -0.000 0.000 0.263 189 M C 2.456 178.644 176.300 -0.187 0.000 1.063 189 M CA 1.566 56.764 55.300 -0.171 0.000 1.110 189 M CB -1.689 30.889 32.600 -0.036 0.000 1.374 189 M HN 0.523 nan 8.290 nan 0.000 0.411 190 A N 0.320 123.057 122.820 -0.140 0.000 1.902 190 A HA -0.032 4.288 4.320 -0.000 0.000 0.217 190 A C 2.433 179.928 177.584 -0.149 0.000 1.181 190 A CA 1.988 53.960 52.037 -0.108 0.000 0.623 190 A CB -1.427 17.530 19.000 -0.072 0.000 0.818 190 A HN 0.508 nan 8.150 nan 0.000 0.443 191 G N -0.162 108.519 108.800 -0.198 0.000 2.422 191 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.218 191 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.218 191 G C 1.412 176.164 174.900 -0.247 0.000 1.146 191 G CA 1.059 46.035 45.100 -0.207 0.000 0.769 191 G HN 0.368 nan 8.290 nan 0.000 0.547 192 I N 0.644 120.996 120.570 -0.362 0.000 2.226 192 I HA -0.059 4.111 4.170 -0.000 0.000 0.245 192 I C 2.814 178.819 176.117 -0.186 0.000 1.100 192 I CA 0.860 61.970 61.300 -0.317 0.000 1.374 192 I CB -0.811 36.943 38.000 -0.411 0.000 1.057 192 I HN 0.173 nan 8.210 nan 0.000 0.413 193 L N 0.505 121.630 121.223 -0.162 0.000 2.046 193 L HA -0.206 4.134 4.340 -0.000 0.000 0.208 193 L C 2.612 179.404 176.870 -0.129 0.000 1.077 193 L CA 1.272 56.033 54.840 -0.131 0.000 0.747 193 L CB -0.582 41.404 42.059 -0.122 0.000 0.896 193 L HN 0.130 nan 8.230 nan 0.000 0.432 194 E N -1.012 119.114 120.200 -0.124 0.000 2.274 194 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 194 E C 0.808 177.353 176.600 -0.093 0.000 0.996 194 E CA 0.025 56.362 56.400 -0.104 0.000 0.840 194 E CB -0.573 29.071 29.700 -0.093 0.000 0.772 194 E HN 0.349 nan 8.360 nan 0.000 0.491 195 N N 1.346 119.985 118.700 -0.102 0.000 2.420 195 N HA 0.024 4.764 4.740 -0.000 0.000 0.262 195 N C -1.791 173.677 175.510 -0.071 0.000 1.144 195 N CA -1.709 51.290 53.050 -0.085 0.000 0.952 195 N CB 1.530 39.959 38.487 -0.097 0.000 1.081 195 N HN 0.066 nan 8.380 nan 0.000 0.480 196 P HA -0.029 nan 4.420 nan 0.000 0.226 196 P C 0.264 177.538 177.300 -0.044 0.000 1.153 196 P CA 0.815 63.885 63.100 -0.050 0.000 0.777 196 P CB 0.484 32.159 31.700 -0.042 0.000 0.794 197 N N -0.257 118.418 118.700 -0.042 0.000 2.467 197 N HA 0.036 4.775 4.740 -0.000 0.000 0.184 197 N C 0.406 175.894 175.510 -0.036 0.000 1.106 197 N CA 0.424 53.454 53.050 -0.034 0.000 0.892 197 N CB 0.387 38.858 38.487 -0.027 0.000 0.969 197 N HN 0.191 nan 8.380 nan 0.000 0.454 198 I N 1.855 122.397 120.570 -0.047 0.000 2.307 198 I HA 0.076 4.246 4.170 -0.000 0.000 0.287 198 I C 1.044 177.132 176.117 -0.049 0.000 1.054 198 I CA 0.317 61.588 61.300 -0.048 0.000 1.218 198 I CB 0.664 38.626 38.000 -0.064 0.000 1.398 198 I HN -0.036 nan 8.210 nan 0.000 0.475 199 T N -0.178 114.351 114.554 -0.041 0.000 3.087 199 T HA 0.115 4.465 4.350 -0.000 0.000 0.283 199 T C 0.687 175.364 174.700 -0.038 0.000 0.956 199 T CA -0.152 61.923 62.100 -0.042 0.000 0.894 199 T CB 0.203 69.049 68.868 -0.037 0.000 1.160 199 T HN 0.495 nan 8.240 nan 0.000 0.532 200 T N -0.945 113.587 114.554 -0.037 0.000 2.923 200 T HA 0.699 5.049 4.350 -0.000 0.000 0.281 200 T C 1.018 175.697 174.700 -0.035 0.000 0.995 200 T CA -0.000 62.077 62.100 -0.039 0.000 0.985 200 T CB 0.940 69.780 68.868 -0.047 0.000 1.114 200 T HN 1.233 nan 8.240 nan 0.000 0.548 201 G N 0.205 108.983 108.800 -0.038 0.000 2.692 201 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 201 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 201 G C 0.411 175.296 174.900 -0.025 0.000 1.340 201 G CA 0.148 45.230 45.100 -0.029 0.000 0.896 201 G HN 1.322 nan 8.290 nan 0.000 0.570 202 L N -0.538 120.675 121.223 -0.016 0.000 2.093 202 L HA 0.082 4.422 4.340 -0.000 0.000 0.208 202 L C 2.968 179.824 176.870 -0.024 0.000 1.085 202 L CA 2.844 57.664 54.840 -0.033 0.000 0.755 202 L CB -0.458 41.568 42.059 -0.055 0.000 0.904 202 L HN 0.625 nan 8.230 nan 0.000 0.435 203 M N -0.741 118.855 119.600 -0.006 0.000 2.175 203 M HA 0.001 4.481 4.480 -0.000 0.000 0.264 203 M C 2.305 178.583 176.300 -0.037 0.000 1.063 203 M CA 1.308 56.602 55.300 -0.010 0.000 1.119 203 M CB -2.191 30.407 32.600 -0.002 0.000 1.377 203 M HN 0.372 nan 8.290 nan 0.000 0.415 204 G N 0.148 108.926 108.800 -0.038 0.000 2.476 204 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.218 204 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.218 204 G C 1.548 176.415 174.900 -0.055 0.000 1.164 204 G CA 1.515 46.586 45.100 -0.048 0.000 0.768 204 G HN 0.455 nan 8.290 nan 0.000 0.560 205 E N 0.407 120.578 120.200 -0.049 0.000 2.072 205 E HA 0.020 4.370 4.350 -0.000 0.000 0.191 205 E C 2.568 179.126 176.600 -0.069 0.000 0.985 205 E CA 0.608 56.975 56.400 -0.055 0.000 0.801 205 E CB -0.456 29.215 29.700 -0.050 0.000 0.750 205 E HN 0.440 nan 8.360 nan 0.000 0.452 206 L N -0.001 121.198 121.223 -0.041 0.000 2.141 206 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 206 L C 2.572 179.344 176.870 -0.163 0.000 1.094 206 L CA 1.166 56.010 54.840 0.007 0.000 0.763 206 L CB -0.566 41.589 42.059 0.161 0.000 0.908 206 L HN 0.182 nan 8.230 nan 0.000 0.437 207 S N 0.685 116.297 115.700 -0.146 0.000 2.348 207 S HA -0.223 4.246 4.470 -0.000 0.000 0.221 207 S C 2.146 176.626 174.600 -0.200 0.000 1.033 207 S CA 1.765 59.851 58.200 -0.190 0.000 1.010 207 S CB -0.086 63.038 63.200 -0.127 0.000 0.891 207 S HN 0.531 nan 8.310 nan 0.000 0.442 208 R N 0.487 120.902 120.500 -0.141 0.000 2.153 208 R HA 0.140 4.480 4.340 -0.000 0.000 0.218 208 R C 2.233 178.459 176.300 -0.123 0.000 1.072 208 R CA 1.151 57.184 56.100 -0.112 0.000 0.990 208 R CB -0.670 29.587 30.300 -0.072 0.000 0.889 208 R HN 0.384 nan 8.270 nan 0.000 0.452 209 L N 1.083 122.203 121.223 -0.173 0.000 2.131 209 L HA -0.098 4.242 4.340 -0.000 0.000 0.210 209 L C 2.317 179.054 176.870 -0.222 0.000 1.092 209 L CA 1.415 56.108 54.840 -0.244 0.000 0.759 209 L CB -0.826 40.983 42.059 -0.417 0.000 0.903 209 L HN 0.360 nan 8.230 nan 0.000 0.435 215 Y N 2.905 123.244 120.300 0.065 0.000 2.496 215 Y HA 0.159 4.709 4.550 -0.000 0.000 0.313 215 Y C 2.172 178.141 175.900 0.115 0.000 1.184 215 Y CA 0.658 58.826 58.100 0.114 0.000 1.275 215 Y CB -0.098 38.478 38.460 0.194 0.000 1.103 215 Y HN 0.420 nan 8.280 nan 0.000 0.513 216 S N -2.055 113.735 115.700 0.150 0.000 2.469 216 S HA -0.246 4.224 4.470 -0.000 0.000 0.238 216 S C 1.837 176.502 174.600 0.109 0.000 0.998 216 S CA 1.450 59.717 58.200 0.112 0.000 0.957 216 S CB -1.037 62.198 63.200 0.058 0.000 0.764 216 S HN 0.774 nan 8.310 nan 0.000 0.514 217 H N 0.511 119.644 119.070 0.105 0.000 2.502 217 H HA 0.499 5.055 4.556 -0.000 0.000 0.283 217 H C 1.066 176.460 175.328 0.110 0.000 1.015 217 H CA 0.822 56.921 56.048 0.084 0.000 1.298 217 H CB -0.660 29.135 29.762 0.055 0.000 1.411 217 H HN 0.408 nan 8.280 nan 0.000 0.556 218 V N 2.943 122.961 119.914 0.173 0.000 2.585 218 V HA 0.198 4.318 4.120 -0.000 0.000 0.296 218 V C 1.094 177.300 176.094 0.186 0.000 1.035 218 V CA 0.048 62.452 62.300 0.173 0.000 1.084 218 V CB 0.925 32.894 31.823 0.243 0.000 0.953 218 V HN 0.831 nan 8.190 nan 0.000 0.483 219 S N 2.511 118.282 115.700 0.118 0.000 2.568 219 S HA -0.004 4.466 4.470 -0.000 0.000 0.282 219 S C 0.837 175.547 174.600 0.183 0.000 1.338 219 S CA -0.149 58.122 58.200 0.119 0.000 1.045 219 S CB 0.713 63.961 63.200 0.081 0.000 0.873 219 S HN 0.760 nan 8.310 nan 0.000 0.516 220 D N 2.253 122.751 120.400 0.165 0.000 2.144 220 D HA -0.011 4.629 4.640 -0.000 0.000 0.199 220 D C 2.456 178.869 176.300 0.188 0.000 0.984 220 D CA 1.728 55.841 54.000 0.188 0.000 0.834 220 D CB -0.548 40.310 40.800 0.097 0.000 0.955 220 D HN 0.917 nan 8.370 nan 0.000 0.465 221 E N 0.422 120.700 120.200 0.131 0.000 2.171 221 E HA -0.201 4.149 4.350 -0.000 0.000 0.197 221 E C 1.955 178.626 176.600 0.118 0.000 0.997 221 E CA 1.318 57.787 56.400 0.115 0.000 0.810 221 E CB -0.946 28.822 29.700 0.112 0.000 0.738 221 E HN 0.281 nan 8.360 nan 0.000 0.467 222 L N -0.677 120.600 121.223 0.090 0.000 1.994 222 L HA 0.017 4.357 4.340 -0.000 0.000 0.208 222 L C 2.413 179.245 176.870 -0.063 0.000 1.071 222 L CA 2.064 56.886 54.840 -0.030 0.000 0.745 222 L CB -0.708 41.237 42.059 -0.191 0.000 0.892 222 L HN 0.389 nan 8.230 nan 0.000 0.431 223 F N -0.135 119.826 119.950 0.018 0.000 2.126 223 F HA -0.213 4.314 4.527 -0.000 0.000 0.299 223 F C 2.504 178.297 175.800 -0.012 0.000 1.096 223 F CA 1.411 59.403 58.000 -0.013 0.000 1.255 223 F CB -1.130 37.847 39.000 -0.038 0.000 0.997 223 F HN 0.209 nan 8.300 nan 0.000 0.479 224 A N -0.556 122.363 122.820 0.166 0.000 1.930 224 A HA -0.148 4.172 4.320 -0.000 0.000 0.217 224 A C 2.224 179.822 177.584 0.024 0.000 1.175 224 A CA 2.119 54.188 52.037 0.053 0.000 0.627 224 A CB -1.259 17.741 19.000 -0.001 0.000 0.815 224 A HN 0.331 nan 8.150 nan 0.000 0.443 225 T N 0.410 115.002 114.554 0.063 0.000 2.746 225 T HA -0.102 4.248 4.350 -0.000 0.000 0.267 225 T C 1.771 176.584 174.700 0.187 0.000 1.039 225 T CA 1.539 63.715 62.100 0.127 0.000 1.142 225 T CB -0.426 68.575 68.868 0.221 0.000 0.866 225 T HN 0.430 nan 8.240 nan 0.000 0.444 226 I N 1.117 121.777 120.570 0.150 0.000 2.163 226 I HA -0.141 4.029 4.170 -0.000 0.000 0.243 226 I C 2.881 179.143 176.117 0.241 0.000 1.085 226 I CA 1.355 62.771 61.300 0.193 0.000 1.347 226 I CB -0.775 37.225 38.000 -0.000 0.000 1.044 226 I HN 0.310 nan 8.210 nan 0.000 0.408 227 G N 0.484 109.375 108.800 0.152 0.000 2.446 227 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.217 227 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.217 227 G C 1.696 176.734 174.900 0.230 0.000 1.168 227 G CA 1.132 46.337 45.100 0.174 0.000 0.771 227 G HN 0.257 nan 8.290 nan 0.000 0.551 228 V N 1.696 121.688 119.914 0.131 0.000 2.307 228 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 228 V C 3.368 179.640 176.094 0.296 0.000 1.045 228 V CA 2.526 64.885 62.300 0.098 0.000 1.024 228 V CB -1.077 30.605 31.823 -0.236 0.000 0.651 228 V HN 0.674 nan 8.190 nan 0.000 0.449 229 T N -1.412 113.350 114.554 0.347 0.000 2.708 229 T HA -0.222 4.128 4.350 -0.000 0.000 0.266 229 T C 1.808 176.689 174.700 0.302 0.000 1.037 229 T CA 1.761 64.076 62.100 0.358 0.000 1.146 229 T CB -0.664 68.409 68.868 0.341 0.000 0.865 229 T HN 0.285 nan 8.240 nan 0.000 0.435 230 F N 0.662 120.743 119.950 0.218 0.000 2.186 230 F HA 0.207 4.734 4.527 -0.000 0.000 0.299 230 F C 2.075 178.004 175.800 0.215 0.000 1.090 230 F CA -0.056 58.065 58.000 0.201 0.000 1.307 230 F CB -0.865 38.246 39.000 0.185 0.000 1.019 230 F HN 0.155 nan 8.300 nan 0.000 0.489 231 F N 0.626 120.745 119.950 0.281 0.000 2.102 231 F HA -0.061 4.466 4.527 -0.000 0.000 0.298 231 F C 2.393 178.215 175.800 0.038 0.000 1.105 231 F CA 1.804 59.904 58.000 0.166 0.000 1.239 231 F CB -0.888 38.214 39.000 0.170 0.000 0.991 231 F HN -0.057 nan 8.300 nan 0.000 0.474 232 G N -0.252 108.769 108.800 0.368 0.000 2.433 232 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.216 232 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.216 232 G C 1.819 176.726 174.900 0.012 0.000 1.186 232 G CA 0.913 46.208 45.100 0.326 0.000 0.779 232 G HN 0.613 nan 8.290 nan 0.000 0.543 233 A N 0.826 123.697 122.820 0.085 0.000 1.883 233 A HA 0.110 4.430 4.320 -0.000 0.000 0.217 233 A C 2.710 180.137 177.584 -0.261 0.000 1.186 233 A CA 2.320 54.309 52.037 -0.079 0.000 0.624 233 A CB -1.164 17.782 19.000 -0.090 0.000 0.822 233 A HN 0.573 nan 8.150 nan 0.000 0.444 234 G N -0.880 107.735 108.800 -0.309 0.000 2.404 234 G HA2 -0.047 3.913 3.960 -0.000 0.000 0.215 234 G HA3 -0.047 3.913 3.960 -0.000 0.000 0.215 234 G C 1.516 175.944 174.900 -0.787 0.000 1.174 234 G CA 1.173 46.016 45.100 -0.428 0.000 0.780 234 G HN 0.317 nan 8.290 nan 0.000 0.537 235 V N 0.725 120.018 119.914 -1.034 0.000 2.307 235 V HA -0.118 4.002 4.120 -0.000 0.000 0.245 235 V C 2.606 178.470 176.094 -0.383 0.000 1.045 235 V CA 1.510 63.368 62.300 -0.737 0.000 1.024 235 V CB -0.340 31.027 31.823 -0.759 0.000 0.651 235 V HN 0.332 nan 8.190 nan 0.000 0.449 236 I N -0.043 120.262 120.570 -0.441 0.000 2.252 236 I HA -0.181 3.989 4.170 -0.000 0.000 0.245 236 I C 2.464 178.394 176.117 -0.312 0.000 1.102 236 I CA 1.668 62.711 61.300 -0.429 0.000 1.385 236 I CB -0.183 37.241 38.000 -0.960 0.000 1.064 236 I HN 0.222 nan 8.210 nan 0.000 0.414 237 S N -0.557 114.961 115.700 -0.304 0.000 2.357 237 S HA -0.155 4.315 4.470 -0.000 0.000 0.221 237 S C 2.001 176.598 174.600 -0.006 0.000 1.031 237 S CA 1.660 59.784 58.200 -0.126 0.000 0.982 237 S CB -0.781 62.394 63.200 -0.043 0.000 0.853 237 S HN 0.706 nan 8.310 nan 0.000 0.458 238 T N 0.598 115.096 114.554 -0.094 0.000 2.737 238 T HA 0.004 4.354 4.350 -0.000 0.000 0.265 238 T C 2.077 176.735 174.700 -0.069 0.000 1.038 238 T CA 1.336 63.354 62.100 -0.137 0.000 1.144 238 T CB -1.177 67.350 68.868 -0.569 0.000 0.866 238 T HN 0.351 nan 8.240 nan 0.000 0.434 239 G N 1.252 109.993 108.800 -0.099 0.000 2.446 239 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 239 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 239 G C 1.914 176.840 174.900 0.044 0.000 1.168 239 G CA 1.140 46.239 45.100 -0.002 0.000 0.771 239 G HN 0.573 nan 8.290 nan 0.000 0.551 240 S N 0.266 115.994 115.700 0.046 0.000 2.371 240 S HA -0.034 4.436 4.470 -0.000 0.000 0.224 240 S C 1.891 176.563 174.600 0.120 0.000 1.029 240 S CA 0.961 59.209 58.200 0.080 0.000 0.978 240 S CB -0.350 62.890 63.200 0.067 0.000 0.833 240 S HN 0.393 nan 8.310 nan 0.000 0.466 241 F N 2.717 122.694 119.950 0.046 0.000 2.075 241 F HA -0.060 4.467 4.527 -0.000 0.000 0.297 241 F C 1.920 177.775 175.800 0.091 0.000 1.113 241 F CA 0.910 58.951 58.000 0.068 0.000 1.218 241 F CB -0.731 38.304 39.000 0.057 0.000 0.984 241 F HN 0.143 nan 8.300 nan 0.000 0.472 242 L N 0.414 121.542 121.223 -0.158 0.000 2.042 242 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 242 L C 2.253 179.018 176.870 -0.175 0.000 1.076 242 L CA 2.604 57.317 54.840 -0.212 0.000 0.749 242 L CB -1.462 40.633 42.059 0.060 0.000 0.893 242 L HN 0.258 nan 8.230 nan 0.000 0.432 243 T N -1.013 113.501 114.554 -0.066 0.000 2.652 243 T HA -0.202 4.148 4.350 -0.000 0.000 0.267 243 T C 1.750 176.426 174.700 -0.040 0.000 1.039 243 T CA 2.117 64.205 62.100 -0.020 0.000 1.153 243 T CB -0.618 68.260 68.868 0.017 0.000 0.863 243 T HN 0.453 nan 8.240 nan 0.000 0.428 244 T N 1.994 116.521 114.554 -0.045 0.000 2.653 244 T HA -0.160 4.190 4.350 -0.000 0.000 0.268 244 T C 2.304 176.945 174.700 -0.099 0.000 1.035 244 T CA 1.484 63.580 62.100 -0.006 0.000 1.154 244 T CB -0.605 68.292 68.868 0.048 0.000 0.862 244 T HN 0.462 nan 8.240 nan 0.000 0.441 245 A N 0.646 123.261 122.820 -0.342 0.000 1.968 245 A HA 0.108 4.428 4.320 -0.000 0.000 0.217 245 A C 2.293 179.790 177.584 -0.147 0.000 1.169 245 A CA 0.954 52.787 52.037 -0.340 0.000 0.638 245 A CB -0.681 17.882 19.000 -0.729 0.000 0.812 245 A HN 0.486 nan 8.150 nan 0.000 0.446 246 L N -0.557 120.599 121.223 -0.111 0.000 2.083 246 L HA -0.168 4.172 4.340 -0.000 0.000 0.209 246 L C 2.410 179.275 176.870 -0.007 0.000 1.083 246 L CA 1.139 55.957 54.840 -0.037 0.000 0.752 246 L CB -0.493 41.565 42.059 -0.002 0.000 0.899 246 L HN 0.369 nan 8.230 nan 0.000 0.433 247 I N -0.878 119.700 120.570 0.013 0.000 2.179 247 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 247 I C 2.621 178.767 176.117 0.048 0.000 1.088 247 I CA 1.183 62.514 61.300 0.052 0.000 1.357 247 I CB -0.273 37.795 38.000 0.114 0.000 1.051 247 I HN 0.161 nan 8.210 nan 0.000 0.409 248 S N 0.811 116.533 115.700 0.036 0.000 2.370 248 S HA -0.159 4.311 4.470 -0.000 0.000 0.226 248 S C 2.016 176.632 174.600 0.027 0.000 1.033 248 S CA 1.294 59.518 58.200 0.039 0.000 1.011 248 S CB -0.356 62.865 63.200 0.035 0.000 0.852 248 S HN 0.341 nan 8.310 nan 0.000 0.457 249 L N 0.739 121.968 121.223 0.011 0.000 2.027 249 L HA -0.059 4.281 4.340 -0.000 0.000 0.206 249 L C 2.189 179.067 176.870 0.014 0.000 1.074 249 L CA 1.174 56.019 54.840 0.010 0.000 0.745 249 L CB -0.411 41.647 42.059 -0.002 0.000 0.898 249 L HN 0.314 nan 8.230 nan 0.000 0.433 250 I N -0.569 120.009 120.570 0.014 0.000 2.264 250 I HA -0.346 3.824 4.170 -0.000 0.000 0.248 250 I C 2.359 178.491 176.117 0.025 0.000 1.111 250 I CA 1.364 62.675 61.300 0.018 0.000 1.382 250 I CB -0.212 37.801 38.000 0.021 0.000 1.060 250 I HN 0.379 nan 8.210 nan 0.000 0.418 251 Q N 0.369 120.189 119.800 0.033 0.000 2.435 251 Q HA -0.009 4.331 4.340 -0.000 0.000 0.207 251 Q C 0.451 176.470 176.000 0.032 0.000 0.956 251 Q CA 0.573 56.399 55.803 0.037 0.000 0.917 251 Q CB 0.184 28.951 28.738 0.049 0.000 0.997 251 Q HN 0.444 nan 8.270 nan 0.000 0.497 252 R N 0.755 121.272 120.500 0.028 0.000 2.724 252 R HA 0.160 4.500 4.340 -0.000 0.000 0.284 252 R C -1.983 174.330 176.300 0.022 0.000 1.481 252 R CA -1.410 54.705 56.100 0.026 0.000 1.652 252 R CB 0.825 31.141 30.300 0.027 0.000 1.175 252 R HN 0.002 nan 8.270 nan 0.000 0.613 253 P HA -0.221 nan 4.420 nan 0.000 0.219 253 P C 0.757 178.070 177.300 0.022 0.000 1.146 253 P CA 1.247 64.357 63.100 0.018 0.000 0.808 253 P CB 0.407 32.116 31.700 0.015 0.000 0.779 254 Q N -0.868 118.946 119.800 0.023 0.000 2.096 254 Q HA -0.165 4.175 4.340 -0.000 0.000 0.204 254 Q C 2.208 178.225 176.000 0.028 0.000 0.982 254 Q CA 1.084 56.902 55.803 0.025 0.000 0.850 254 Q CB -0.649 28.102 28.738 0.022 0.000 0.901 254 Q HN 0.194 nan 8.270 nan 0.000 0.422 255 L N 0.837 122.076 121.223 0.026 0.000 2.072 255 L HA -0.136 4.204 4.340 -0.000 0.000 0.205 255 L C 2.423 179.313 176.870 0.034 0.000 1.079 255 L CA 1.603 56.459 54.840 0.028 0.000 0.752 255 L CB -0.465 41.608 42.059 0.024 0.000 0.906 255 L HN 0.054 nan 8.230 nan 0.000 0.436 256 R N -0.387 120.131 120.500 0.030 0.000 2.112 256 R HA -0.232 4.108 4.340 -0.000 0.000 0.242 256 R C 1.981 178.317 176.300 0.060 0.000 1.137 256 R CA 2.128 58.246 56.100 0.030 0.000 0.944 256 R CB -0.366 29.941 30.300 0.011 0.000 0.857 256 R HN 0.475 nan 8.270 nan 0.000 0.435 257 N N 0.833 119.568 118.700 0.058 0.000 2.120 257 N HA -0.176 4.564 4.740 -0.000 0.000 0.188 257 N C 1.698 177.268 175.510 0.100 0.000 1.024 257 N CA 1.031 54.137 53.050 0.094 0.000 0.852 257 N CB -0.457 38.069 38.487 0.065 0.000 1.003 257 N HN 0.195 nan 8.380 nan 0.000 0.424 258 L N 1.181 122.441 121.223 0.062 0.000 2.017 258 L HA -0.002 4.338 4.340 -0.000 0.000 0.208 258 L C 1.937 178.833 176.870 0.042 0.000 1.073 258 L CA 1.379 56.245 54.840 0.043 0.000 0.745 258 L CB -0.648 41.429 42.059 0.031 0.000 0.894 258 L HN 0.098 nan 8.230 nan 0.000 0.432 259 L N -0.990 120.266 121.223 0.054 0.000 2.201 259 L HA -0.220 4.120 4.340 -0.000 0.000 0.212 259 L C 2.647 179.558 176.870 0.068 0.000 1.105 259 L CA 1.347 56.217 54.840 0.051 0.000 0.775 259 L CB -1.000 41.089 42.059 0.051 0.000 0.913 259 L HN 0.541 nan 8.230 nan 0.000 0.440 260 H N 0.031 119.100 119.070 -0.001 0.000 2.357 260 H HA -0.185 4.371 4.556 -0.000 0.000 0.301 260 H C 2.153 177.480 175.328 -0.003 0.000 1.082 260 H CA 1.862 57.906 56.048 -0.006 0.000 1.342 260 H CB 0.507 30.265 29.762 -0.008 0.000 1.389 260 H HN 0.234 nan 8.280 nan 0.000 0.511 261 E N 0.873 120.972 120.200 -0.168 0.000 2.170 261 E HA 0.001 4.351 4.350 -0.000 0.000 0.191 261 E C 0.419 176.945 176.600 -0.123 0.000 0.981 261 E CA 0.442 56.716 56.400 -0.211 0.000 0.830 261 E CB 0.155 29.809 29.700 -0.077 0.000 0.775 261 E HN 0.545 nan 8.360 nan 0.000 0.470 262 K N 0.588 120.951 120.400 -0.062 0.000 2.877 262 K HA 0.266 4.586 4.320 -0.000 0.000 0.176 262 K C -2.290 174.299 176.600 -0.018 0.000 1.075 262 K CA -1.408 54.859 56.287 -0.035 0.000 0.939 262 K CB 1.860 34.352 32.500 -0.014 0.000 1.237 262 K HN 0.167 nan 8.250 nan 0.000 0.607 263 P HA -0.249 nan 4.420 nan 0.000 0.221 263 P C 0.962 178.266 177.300 0.008 0.000 1.145 263 P CA 1.207 64.305 63.100 -0.004 0.000 0.795 263 P CB 0.305 31.997 31.700 -0.013 0.000 0.775 264 E N 0.797 120.999 120.200 0.003 0.000 2.396 264 E HA -0.148 4.202 4.350 -0.000 0.000 0.200 264 E C 1.625 178.237 176.600 0.021 0.000 1.023 264 E CA 0.843 57.250 56.400 0.012 0.000 0.857 264 E CB -1.097 28.607 29.700 0.007 0.000 0.775 264 E HN 0.352 nan 8.360 nan 0.000 0.525 265 L N 0.325 121.560 121.223 0.020 0.000 2.592 265 L HA 0.173 4.513 4.340 -0.000 0.000 0.227 265 L C 2.329 179.222 176.870 0.038 0.000 1.127 265 L CA -0.145 54.711 54.840 0.028 0.000 0.884 265 L CB -0.177 41.896 42.059 0.023 0.000 1.065 265 L HN -0.004 nan 8.230 nan 0.000 0.457 266 I N 0.818 121.412 120.570 0.040 0.000 2.163 266 I HA -0.221 3.949 4.170 -0.000 0.000 0.243 266 I C -0.265 175.893 176.117 0.068 0.000 1.085 266 I CA 1.616 62.947 61.300 0.052 0.000 1.347 266 I CB -1.213 36.816 38.000 0.049 0.000 1.044 266 I HN 0.218 nan 8.210 nan 0.000 0.408 267 P HA -0.220 nan 4.420 nan 0.000 0.215 267 P C 1.452 178.805 177.300 0.088 0.000 1.157 267 P CA 2.050 65.201 63.100 0.085 0.000 0.874 267 P CB -0.060 31.684 31.700 0.074 0.000 0.790 268 A N -0.397 122.465 122.820 0.070 0.000 1.930 268 A HA -0.048 4.272 4.320 -0.000 0.000 0.217 268 A C 2.495 180.115 177.584 0.059 0.000 1.175 268 A CA 1.988 54.064 52.037 0.065 0.000 0.627 268 A CB -1.830 17.199 19.000 0.049 0.000 0.815 268 A HN 0.284 nan 8.150 nan 0.000 0.443 269 G N -0.656 108.177 108.800 0.056 0.000 2.402 269 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.216 269 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.216 269 G C 1.476 176.416 174.900 0.067 0.000 1.162 269 G CA 1.163 46.293 45.100 0.049 0.000 0.777 269 G HN 0.303 nan 8.290 nan 0.000 0.539 270 V N 0.555 120.529 119.914 0.100 0.000 2.427 270 V HA -0.119 4.001 4.120 -0.000 0.000 0.248 270 V C 2.656 178.830 176.094 0.133 0.000 1.051 270 V CA 2.127 64.524 62.300 0.161 0.000 1.048 270 V CB -0.189 31.754 31.823 0.200 0.000 0.666 270 V HN 0.376 nan 8.190 nan 0.000 0.456 271 E N 0.091 120.353 120.200 0.103 0.000 2.110 271 E HA -0.192 4.158 4.350 -0.000 0.000 0.193 271 E C 2.261 178.830 176.600 -0.052 0.000 0.988 271 E CA 1.126 57.575 56.400 0.082 0.000 0.804 271 E CB -0.106 29.690 29.700 0.159 0.000 0.745 271 E HN 0.502 nan 8.360 nan 0.000 0.458 272 E N -0.178 120.002 120.200 -0.033 0.000 2.107 272 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 272 E C 2.216 178.745 176.600 -0.118 0.000 0.982 272 E CA 0.586 56.920 56.400 -0.109 0.000 0.809 272 E CB -0.137 29.521 29.700 -0.069 0.000 0.756 272 E HN 0.353 nan 8.360 nan 0.000 0.459 273 L N 0.500 121.722 121.223 -0.003 0.000 2.131 273 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 273 L C 2.571 179.532 176.870 0.152 0.000 1.092 273 L CA 0.654 55.546 54.840 0.087 0.000 0.759 273 L CB -0.429 41.719 42.059 0.149 0.000 0.903 273 L HN 0.095 nan 8.230 nan 0.000 0.435 274 L N -0.454 120.761 121.223 -0.014 0.000 2.017 274 L HA -0.239 4.101 4.340 -0.000 0.000 0.208 274 L C 2.885 179.422 176.870 -0.555 0.000 1.073 274 L CA 1.339 55.906 54.840 -0.454 0.000 0.745 274 L CB -0.483 41.123 42.059 -0.754 0.000 0.894 274 L HN 0.242 nan 8.230 nan 0.000 0.432 275 R N 0.995 121.103 120.500 -0.653 0.000 2.091 275 R HA -0.191 4.149 4.340 -0.000 0.000 0.238 275 R C 2.106 178.125 176.300 -0.468 0.000 1.136 275 R CA 1.980 57.703 56.100 -0.630 0.000 0.959 275 R CB -0.337 29.576 30.300 -0.644 0.000 0.856 275 R HN 0.559 nan 8.270 nan 0.000 0.437 276 I N -0.422 119.937 120.570 -0.351 0.000 3.812 276 I HA 0.109 4.279 4.170 -0.000 0.000 0.320 276 I C -0.211 176.000 176.117 0.156 0.000 1.276 276 I CA -0.503 60.655 61.300 -0.237 0.000 1.164 276 I CB -0.508 37.411 38.000 -0.134 0.000 1.009 276 I HN 0.040 nan 8.210 nan 0.000 0.431 277 N N 1.698 120.458 118.700 0.100 0.000 2.513 277 N HA 0.187 4.927 4.740 -0.000 0.000 0.268 277 N C -0.003 175.630 175.510 0.204 0.000 1.180 277 N CA -0.300 52.876 53.050 0.209 0.000 0.948 277 N CB 1.003 39.698 38.487 0.348 0.000 1.083 277 N HN 0.337 nan 8.380 nan 0.000 0.455 278 L N 1.926 123.263 121.223 0.191 0.000 2.965 278 L HA 0.178 4.518 4.340 -0.000 0.000 0.254 278 L C 1.723 178.691 176.870 0.163 0.000 1.220 278 L CA -0.255 54.670 54.840 0.141 0.000 1.023 278 L CB -0.278 41.808 42.059 0.046 0.000 1.355 278 L HN 0.817 nan 8.230 nan 0.000 0.545 279 S N -0.199 115.642 115.700 0.236 0.000 2.382 279 S HA -0.082 4.388 4.470 -0.000 0.000 0.228 279 S C 0.677 175.397 174.600 0.200 0.000 1.027 279 S CA 0.545 58.886 58.200 0.235 0.000 0.991 279 S CB -0.384 62.986 63.200 0.283 0.000 0.823 279 S HN 0.173 nan 8.310 nan 0.000 0.469 280 F N 2.056 122.027 119.950 0.035 0.000 2.472 280 F HA 0.588 5.115 4.527 -0.000 0.000 0.364 280 F C 1.437 177.242 175.800 0.008 0.000 1.090 280 F CA -0.635 57.370 58.000 0.007 0.000 1.188 280 F CB 0.768 39.758 39.000 -0.017 0.000 1.105 280 F HN 0.204 nan 8.300 nan 0.000 0.536 281 A N 2.322 125.183 122.820 0.068 0.000 2.067 281 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 281 A C 0.423 178.022 177.584 0.026 0.000 1.156 281 A CA 0.824 52.888 52.037 0.045 0.000 0.683 281 A CB -0.275 18.743 19.000 0.029 0.000 0.808 281 A HN 0.621 nan 8.150 nan 0.000 0.455 282 D N -1.671 118.759 120.400 0.049 0.000 2.547 282 D HA 0.452 5.092 4.640 -0.000 0.000 0.231 282 D C 0.150 176.487 176.300 0.062 0.000 1.099 282 D CA -0.080 53.927 54.000 0.012 0.000 0.901 282 D CB 1.373 42.164 40.800 -0.015 0.000 1.478 282 D HN 0.146 nan 8.370 nan 0.000 0.471 283 G N 0.144 108.950 108.800 0.010 0.000 2.614 283 G HA2 0.308 4.268 3.960 -0.000 0.000 0.239 283 G HA3 0.308 4.268 3.960 -0.000 0.000 0.239 283 G C 0.241 175.157 174.900 0.026 0.000 1.240 283 G CA -0.407 44.700 45.100 0.013 0.000 0.842 283 G HN 0.356 nan 8.290 nan 0.000 0.584 284 L N 3.042 124.269 121.223 0.007 0.000 2.410 284 L HA 0.232 4.572 4.340 -0.000 0.000 0.273 284 L C -1.634 175.226 176.870 -0.016 0.000 1.144 284 L CA -1.471 53.373 54.840 0.006 0.000 0.863 284 L CB 1.070 43.110 42.059 -0.033 0.000 1.140 284 L HN 0.359 nan 8.230 nan 0.000 0.463 285 P HA 0.355 nan 4.420 nan 0.000 0.284 285 P C -1.020 176.271 177.300 -0.015 0.000 1.253 285 P CA -0.612 62.475 63.100 -0.021 0.000 0.800 285 P CB 1.550 33.234 31.700 -0.027 0.000 0.961 286 R N 1.844 122.351 120.500 0.011 0.000 2.698 286 R HA 0.548 4.887 4.340 -0.000 0.000 0.275 286 R C -0.985 175.387 176.300 0.121 0.000 1.001 286 R CA -1.136 55.006 56.100 0.069 0.000 0.896 286 R CB 1.652 32.015 30.300 0.105 0.000 1.218 286 R HN 0.432 nan 8.270 nan 0.000 0.462 287 L N 1.412 122.719 121.223 0.140 0.000 2.307 287 L HA 0.595 4.935 4.340 -0.000 0.000 0.284 287 L C -0.171 176.824 176.870 0.209 0.000 1.023 287 L CA -0.332 54.599 54.840 0.152 0.000 0.810 287 L CB 1.717 43.825 42.059 0.083 0.000 1.231 287 L HN 0.834 nan 8.230 nan 0.000 0.423 288 A N 2.275 125.245 122.820 0.252 0.000 2.492 288 A HA 0.376 4.696 4.320 -0.000 0.000 0.254 288 A C 0.954 178.546 177.584 0.014 0.000 1.091 288 A CA 0.443 52.559 52.037 0.131 0.000 0.768 288 A CB -0.202 18.903 19.000 0.175 0.000 1.028 288 A HN 0.872 nan 8.150 nan 0.000 0.498 289 T N -0.745 113.767 114.554 -0.070 0.000 3.145 289 T HA 0.577 4.927 4.350 -0.000 0.000 0.255 289 T C 0.319 174.974 174.700 -0.075 0.000 1.039 289 T CA 0.514 62.584 62.100 -0.050 0.000 0.928 289 T CB -0.386 68.457 68.868 -0.042 0.000 1.029 289 T HN 1.795 nan 8.240 nan 0.000 0.554 290 A N 0.593 123.345 122.820 -0.113 0.000 2.566 290 A HA 0.574 4.894 4.320 -0.000 0.000 0.290 290 A C -1.889 175.630 177.584 -0.108 0.000 1.071 290 A CA -1.031 50.944 52.037 -0.104 0.000 0.658 290 A CB 0.502 19.425 19.000 -0.128 0.000 1.285 290 A HN 0.201 nan 8.150 nan 0.000 0.427 291 D N 0.919 121.275 120.400 -0.072 0.000 2.348 291 D HA 0.537 5.176 4.640 -0.000 0.000 0.253 291 D C -0.401 175.842 176.300 -0.095 0.000 1.161 291 D CA 0.880 54.846 54.000 -0.056 0.000 0.876 291 D CB 0.592 41.375 40.800 -0.028 0.000 1.160 291 D HN 0.437 nan 8.370 nan 0.000 0.459 292 I N 1.314 121.832 120.570 -0.087 0.000 2.569 292 I HA 0.113 4.283 4.170 -0.000 0.000 0.290 292 I C -0.271 175.846 176.117 -0.000 0.000 1.088 292 I CA -1.084 60.168 61.300 -0.080 0.000 1.047 292 I CB 2.167 40.024 38.000 -0.239 0.000 1.237 292 I HN 0.027 nan 8.210 nan 0.000 0.421 293 Q N 4.901 124.695 119.800 -0.010 0.000 2.295 293 Q HA 0.403 4.743 4.340 -0.000 0.000 0.259 293 Q C -1.375 174.624 176.000 -0.002 0.000 0.976 293 Q CA -0.044 55.744 55.803 -0.024 0.000 0.923 293 Q CB 1.173 29.894 28.738 -0.028 0.000 1.185 293 Q HN 0.501 nan 8.270 nan 0.000 0.410 294 V N 5.620 125.505 119.914 -0.048 0.000 2.349 294 V HA 0.656 4.776 4.120 -0.000 0.000 0.284 294 V C 0.860 176.896 176.094 -0.098 0.000 1.014 294 V CA 0.136 62.402 62.300 -0.056 0.000 0.826 294 V CB 0.383 32.154 31.823 -0.087 0.000 1.009 294 V HN 1.059 nan 8.190 nan 0.000 0.431 295 G N 5.103 113.867 108.800 -0.059 0.000 2.611 295 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.301 295 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.301 295 G C 0.391 175.253 174.900 -0.065 0.000 1.233 295 G CA 0.662 45.731 45.100 -0.053 0.000 0.993 295 G HN 0.627 nan 8.290 nan 0.000 0.553 296 D N 0.437 120.797 120.400 -0.068 0.000 2.336 296 D HA 0.319 4.959 4.640 -0.000 0.000 0.229 296 D C 0.593 176.827 176.300 -0.111 0.000 1.061 296 D CA 0.610 54.571 54.000 -0.066 0.000 0.875 296 D CB 0.350 41.127 40.800 -0.038 0.000 0.904 296 D HN 0.321 nan 8.370 nan 0.000 0.525 297 V N 1.489 121.288 119.914 -0.191 0.000 2.540 297 V HA 0.211 4.331 4.120 -0.000 0.000 0.302 297 V C -0.418 175.507 176.094 -0.281 0.000 1.035 297 V CA -1.074 61.031 62.300 -0.324 0.000 0.873 297 V CB 2.516 33.925 31.823 -0.690 0.000 0.992 297 V HN -0.106 nan 8.190 nan 0.000 0.428 298 L N 7.038 128.140 121.223 -0.203 0.000 2.295 298 L HA 0.470 4.810 4.340 -0.000 0.000 0.288 298 L C -0.123 176.651 176.870 -0.159 0.000 1.079 298 L CA 0.392 55.154 54.840 -0.130 0.000 0.830 298 L CB 1.069 43.093 42.059 -0.058 0.000 1.200 298 L HN 0.456 nan 8.230 nan 0.000 0.438 299 V N 6.222 126.042 119.914 -0.156 0.000 2.530 299 V HA 0.415 4.535 4.120 -0.000 0.000 0.282 299 V C 0.474 176.609 176.094 0.069 0.000 1.048 299 V CA -0.702 61.556 62.300 -0.070 0.000 0.997 299 V CB 0.711 32.548 31.823 0.023 0.000 0.987 299 V HN 0.632 nan 8.190 nan 0.000 0.477 300 R N 3.376 123.967 120.500 0.152 0.000 2.457 300 R HA 0.333 4.673 4.340 -0.000 0.000 0.284 300 R C 0.088 176.451 176.300 0.106 0.000 1.024 300 R CA -0.960 55.207 56.100 0.111 0.000 1.025 300 R CB 0.369 30.743 30.300 0.123 0.000 1.063 300 R HN 0.679 nan 8.270 nan 0.000 0.493 301 K N 0.568 120.998 120.400 0.050 0.000 2.530 301 K HA -0.048 4.272 4.320 -0.000 0.000 0.280 301 K C 0.722 177.357 176.600 0.059 0.000 1.004 301 K CA 1.601 57.908 56.287 0.033 0.000 1.071 301 K CB 0.030 32.535 32.500 0.008 0.000 0.876 301 K HN 0.786 nan 8.250 nan 0.000 0.487 302 G N 2.633 111.471 108.800 0.063 0.000 2.199 302 G HA2 -0.263 3.697 3.960 -0.000 0.000 0.254 302 G HA3 -0.263 3.697 3.960 -0.000 0.000 0.254 302 G C -0.258 174.692 174.900 0.083 0.000 0.982 302 G CA 0.338 45.475 45.100 0.061 0.000 0.632 302 G HN 0.688 nan 8.290 nan 0.000 0.529 303 E N -0.207 120.074 120.200 0.135 0.000 2.319 303 E HA 0.559 4.909 4.350 -0.000 0.000 0.268 303 E C -0.286 176.423 176.600 0.181 0.000 1.050 303 E CA -0.855 55.643 56.400 0.164 0.000 0.878 303 E CB 1.790 31.664 29.700 0.291 0.000 1.066 303 E HN 0.196 nan 8.360 nan 0.000 0.406 304 L N 2.654 123.943 121.223 0.110 0.000 2.292 304 L HA 0.277 4.617 4.340 -0.000 0.000 0.284 304 L C -1.101 175.846 176.870 0.130 0.000 1.065 304 L CA -0.367 54.524 54.840 0.086 0.000 0.806 304 L CB 1.342 43.403 42.059 0.003 0.000 1.175 304 L HN 0.234 nan 8.230 nan 0.000 0.431 305 V N 6.299 126.282 119.914 0.115 0.000 2.604 305 V HA 0.493 4.613 4.120 -0.000 0.000 0.305 305 V C -0.321 175.773 176.094 0.000 0.000 1.043 305 V CA -0.640 61.709 62.300 0.080 0.000 0.888 305 V CB 1.820 33.599 31.823 -0.075 0.000 0.995 305 V HN 0.588 nan 8.190 nan 0.000 0.429 306 L N 4.617 125.841 121.223 0.002 0.000 2.343 306 L HA 0.561 4.901 4.340 -0.000 0.000 0.278 306 L C -0.669 176.183 176.870 -0.030 0.000 0.996 306 L CA -0.766 54.061 54.840 -0.021 0.000 0.831 306 L CB 2.017 44.062 42.059 -0.023 0.000 1.232 306 L HN 0.357 nan 8.230 nan 0.000 0.413 307 V N 4.705 124.589 119.914 -0.049 0.000 2.353 307 V HA 0.154 4.274 4.120 -0.000 0.000 0.264 307 V C 0.127 176.202 176.094 -0.032 0.000 1.049 307 V CA -0.369 61.896 62.300 -0.059 0.000 0.896 307 V CB 1.388 33.158 31.823 -0.087 0.000 1.025 307 V HN 0.444 nan 8.190 nan 0.000 0.475 308 L N 6.270 127.490 121.223 -0.005 0.000 2.363 308 L HA 0.284 4.624 4.340 -0.000 0.000 0.286 308 L C 1.117 178.005 176.870 0.031 0.000 1.106 308 L CA 0.593 55.447 54.840 0.023 0.000 0.859 308 L CB 0.333 42.424 42.059 0.053 0.000 1.223 308 L HN 0.564 nan 8.230 nan 0.000 0.446 309 L N 3.486 124.713 121.223 0.005 0.000 2.042 309 L HA -0.179 4.161 4.340 -0.000 0.000 0.210 309 L C 2.268 179.198 176.870 0.099 0.000 1.076 309 L CA 1.513 56.353 54.840 -0.001 0.000 0.749 309 L CB -0.606 41.387 42.059 -0.111 0.000 0.893 309 L HN 0.764 nan 8.230 nan 0.000 0.432 310 E N 0.699 120.981 120.200 0.137 0.000 2.347 310 E HA -0.122 4.228 4.350 -0.000 0.000 0.196 310 E C 2.023 178.792 176.600 0.282 0.000 1.008 310 E CA 1.173 57.735 56.400 0.270 0.000 0.852 310 E CB -0.387 29.420 29.700 0.179 0.000 0.783 310 E HN 0.428 nan 8.360 nan 0.000 0.505 311 G N 1.890 110.794 108.800 0.174 0.000 2.433 311 G HA2 -0.236 3.724 3.960 -0.000 0.000 0.216 311 G HA3 -0.236 3.724 3.960 -0.000 0.000 0.216 311 G C 1.822 176.859 174.900 0.228 0.000 1.186 311 G CA 1.716 46.916 45.100 0.167 0.000 0.779 311 G HN 0.472 nan 8.290 nan 0.000 0.543 312 A N 1.151 124.099 122.820 0.214 0.000 1.877 312 A HA -0.091 4.229 4.320 -0.000 0.000 0.216 312 A C 2.233 180.106 177.584 0.482 0.000 1.186 312 A CA 1.947 54.170 52.037 0.310 0.000 0.620 312 A CB -0.450 18.655 19.000 0.175 0.000 0.822 312 A HN 0.352 nan 8.150 nan 0.000 0.443 313 N N -1.349 117.584 118.700 0.388 0.000 2.457 313 N HA 0.019 4.759 4.740 -0.000 0.000 0.180 313 N C 0.389 175.939 175.510 0.068 0.000 1.050 313 N CA 0.822 54.032 53.050 0.267 0.000 0.906 313 N CB -0.249 38.261 38.487 0.038 0.000 0.968 313 N HN 0.503 nan 8.380 nan 0.000 0.445 314 F N 0.209 120.267 119.950 0.181 0.000 2.639 314 F HA 0.188 4.715 4.527 -0.000 0.000 0.302 314 F C 0.579 176.491 175.800 0.186 0.000 1.097 314 F CA -0.838 57.244 58.000 0.136 0.000 1.294 314 F CB 0.307 39.350 39.000 0.071 0.000 1.027 314 F HN -0.237 nan 8.300 nan 0.000 0.550 315 D N 2.972 123.609 120.400 0.394 0.000 2.346 315 D HA 0.055 4.695 4.640 -0.000 0.000 0.260 315 D C -1.546 174.895 176.300 0.234 0.000 1.252 315 D CA -2.087 52.083 54.000 0.284 0.000 0.895 315 D CB 1.331 42.298 40.800 0.278 0.000 1.097 315 D HN 0.043 nan 8.370 nan 0.000 0.489 316 P HA -0.062 nan 4.420 nan 0.000 0.233 316 P C 0.847 178.183 177.300 0.060 0.000 1.167 316 P CA 0.370 63.543 63.100 0.121 0.000 0.770 316 P CB 0.456 32.215 31.700 0.098 0.000 0.837 317 E N -1.042 119.194 120.200 0.059 0.000 2.204 317 E HA -0.186 4.164 4.350 -0.000 0.000 0.194 317 E C 1.893 178.460 176.600 -0.055 0.000 0.989 317 E CA 1.286 57.696 56.400 0.017 0.000 0.824 317 E CB -1.048 28.680 29.700 0.047 0.000 0.756 317 E HN 0.612 nan 8.360 nan 0.000 0.477 318 H N -2.048 116.873 119.070 -0.249 0.000 2.545 318 H HA 0.324 4.880 4.556 -0.000 0.000 0.283 318 H C -0.102 174.834 175.328 -0.653 0.000 0.997 318 H CA 0.310 55.990 56.048 -0.613 0.000 1.269 318 H CB 0.495 29.511 29.762 -1.244 0.000 1.451 318 H HN 0.214 nan 8.280 nan 0.000 0.508 319 F N 2.300 122.191 119.950 -0.097 0.000 2.451 319 F HA 0.355 4.882 4.527 -0.000 0.000 0.367 319 F C -2.348 173.415 175.800 -0.061 0.000 1.100 319 F CA -2.703 55.236 58.000 -0.103 0.000 1.171 319 F CB 1.239 40.208 39.000 -0.050 0.000 1.405 319 F HN -0.006 nan 8.300 nan 0.000 0.482 320 P HA -0.058 nan 4.420 nan 0.000 0.264 320 P C -0.306 177.032 177.300 0.064 0.000 1.183 320 P CA 0.469 63.598 63.100 0.048 0.000 0.763 320 P CB 0.324 32.027 31.700 0.005 0.000 0.807 321 N N 1.459 120.194 118.700 0.058 0.000 2.727 321 N HA -0.128 4.612 4.740 -0.000 0.000 0.251 321 N C -1.546 173.996 175.510 0.054 0.000 1.040 321 N CA 0.344 53.425 53.050 0.052 0.000 0.712 321 N CB -1.360 37.147 38.487 0.033 0.000 0.912 321 N HN 0.431 nan 8.380 nan 0.000 0.545 322 P HA -0.081 nan 4.420 nan 0.000 0.222 322 P C 1.458 178.761 177.300 0.006 0.000 1.147 322 P CA 1.518 64.647 63.100 0.049 0.000 0.790 322 P CB -0.056 31.743 31.700 0.166 0.000 0.780 323 G N -0.553 108.319 108.800 0.120 0.000 2.744 323 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.211 323 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.211 323 G C 0.530 175.467 174.900 0.061 0.000 1.143 323 G CA 0.095 45.287 45.100 0.153 0.000 0.788 323 G HN 0.249 nan 8.290 nan 0.000 0.534 324 S N 0.428 116.137 115.700 0.015 0.000 2.554 324 S HA 0.479 4.949 4.470 -0.000 0.000 0.278 324 S C -0.134 174.447 174.600 -0.032 0.000 1.242 324 S CA -0.569 57.633 58.200 0.003 0.000 1.051 324 S CB 1.635 64.841 63.200 0.010 0.000 0.986 324 S HN -0.015 nan 8.310 nan 0.000 0.502 325 I N 3.207 123.765 120.570 -0.020 0.000 2.363 325 I HA 0.234 4.403 4.170 -0.000 0.000 0.292 325 I C 0.432 176.539 176.117 -0.017 0.000 1.075 325 I CA 0.274 61.556 61.300 -0.030 0.000 1.333 325 I CB -0.355 37.638 38.000 -0.011 0.000 1.415 325 I HN 0.662 nan 8.210 nan 0.000 0.502 326 E N 6.430 126.616 120.200 -0.024 0.000 2.191 326 E HA 0.329 4.679 4.350 -0.000 0.000 0.263 326 E C 0.253 176.854 176.600 0.002 0.000 0.881 326 E CA -0.468 55.929 56.400 -0.005 0.000 0.757 326 E CB 2.214 31.913 29.700 -0.000 0.000 1.147 326 E HN 0.479 nan 8.360 nan 0.000 0.414 327 L N 2.205 123.435 121.223 0.011 0.000 2.591 327 L HA 0.048 4.388 4.340 -0.000 0.000 0.228 327 L C 0.642 177.528 176.870 0.027 0.000 1.133 327 L CA 0.351 55.203 54.840 0.020 0.000 0.880 327 L CB -0.132 41.940 42.059 0.021 0.000 1.033 327 L HN 0.447 nan 8.230 nan 0.000 0.450 328 D N -1.173 119.241 120.400 0.024 0.000 2.720 328 D HA 0.058 4.698 4.640 -0.000 0.000 0.285 328 D C 0.412 176.729 176.300 0.029 0.000 1.359 328 D CA -0.432 53.583 54.000 0.026 0.000 0.818 328 D CB 0.114 40.925 40.800 0.018 0.000 1.108 328 D HN 0.025 nan 8.370 nan 0.000 0.474 329 R N 1.427 121.952 120.500 0.042 0.000 2.643 329 R HA 0.198 4.537 4.340 -0.000 0.000 0.270 329 R C -1.169 175.160 176.300 0.049 0.000 1.061 329 R CA -1.019 55.113 56.100 0.054 0.000 1.107 329 R CB 0.496 30.856 30.300 0.101 0.000 0.999 329 R HN 0.022 nan 8.270 nan 0.000 0.460 330 P HA -0.195 nan 4.420 nan 0.000 0.208 330 P C -0.472 176.843 177.300 0.025 0.000 1.180 330 P CA 1.566 64.667 63.100 0.001 0.000 0.935 330 P CB 0.022 31.693 31.700 -0.048 0.000 0.785 331 N N 0.403 119.120 118.700 0.029 0.000 3.234 331 N HA 0.140 4.880 4.740 -0.000 0.000 0.272 331 N C -1.838 173.770 175.510 0.164 0.000 1.254 331 N CA -1.235 51.859 53.050 0.073 0.000 1.087 331 N CB 0.460 38.983 38.487 0.059 0.000 1.356 331 N HN 0.291 nan 8.380 nan 0.000 0.511 332 P HA -0.098 nan 4.420 nan 0.000 0.229 332 P C 0.793 178.245 177.300 0.253 0.000 1.160 332 P CA 1.088 64.311 63.100 0.205 0.000 0.777 332 P CB 0.166 31.949 31.700 0.138 0.000 0.814 333 T N -3.674 110.978 114.554 0.164 0.000 3.122 333 T HA 0.076 4.426 4.350 -0.000 0.000 0.250 333 T C 1.491 176.126 174.700 -0.108 0.000 1.067 333 T CA 0.352 62.476 62.100 0.040 0.000 0.966 333 T CB -0.897 68.011 68.868 0.066 0.000 1.002 333 T HN 0.114 nan 8.240 nan 0.000 0.542 334 S N 1.074 116.852 115.700 0.129 0.000 2.607 334 S HA -0.009 4.461 4.470 -0.000 0.000 0.224 334 S C 0.746 175.564 174.600 0.364 0.000 0.969 334 S CA -0.355 57.977 58.200 0.219 0.000 0.927 334 S CB -1.072 62.319 63.200 0.317 0.000 0.772 334 S HN 0.912 nan 8.310 nan 0.000 0.533 335 H N 0.486 119.866 119.070 0.517 0.000 2.730 335 H HA 0.431 4.987 4.556 -0.000 0.000 0.376 335 H C 0.511 175.996 175.328 0.260 0.000 1.299 335 H CA -0.705 55.606 56.048 0.439 0.000 1.447 335 H CB 0.211 30.041 29.762 0.112 0.000 1.493 335 H HN 0.133 nan 8.280 nan 0.000 0.619 336 L N 0.955 122.388 121.223 0.349 0.000 2.928 336 L HA 0.340 4.680 4.340 -0.000 0.000 0.246 336 L C 1.795 178.681 176.870 0.026 0.000 1.239 336 L CA 0.209 55.137 54.840 0.146 0.000 1.035 336 L CB -0.159 41.922 42.059 0.037 0.000 1.360 336 L HN 0.889 nan 8.230 nan 0.000 0.529 337 A N 0.137 123.023 122.820 0.110 0.000 2.019 337 A HA -0.110 4.210 4.320 -0.000 0.000 0.219 337 A C 1.473 178.707 177.584 -0.584 0.000 1.164 337 A CA 1.525 53.349 52.037 -0.356 0.000 0.644 337 A CB -0.350 18.254 19.000 -0.659 0.000 0.805 337 A HN 0.406 nan 8.150 nan 0.000 0.449 338 F N -0.807 119.021 119.950 -0.203 0.000 2.639 338 F HA 0.443 4.970 4.527 -0.000 0.000 0.302 338 F C 1.538 176.962 175.800 -0.626 0.000 1.097 338 F CA 0.095 57.798 58.000 -0.494 0.000 1.294 338 F CB -0.186 38.391 39.000 -0.706 0.000 1.027 338 F HN 0.437 nan 8.300 nan 0.000 0.550 339 G N 1.163 109.852 108.800 -0.185 0.000 2.593 339 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.237 339 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.237 339 G C -0.634 174.386 174.900 0.200 0.000 1.312 339 G CA -0.346 44.714 45.100 -0.066 0.000 0.896 339 G HN 0.493 nan 8.290 nan 0.000 0.574 340 R N -1.188 119.466 120.500 0.257 0.000 2.687 340 R HA 0.648 4.988 4.340 -0.000 0.000 0.265 340 R C 0.680 177.092 176.300 0.186 0.000 1.048 340 R CA 1.491 57.752 56.100 0.267 0.000 0.884 340 R CB 0.851 31.195 30.300 0.074 0.000 1.258 340 R HN 2.892 nan 8.270 nan 0.000 0.469 341 G N 1.904 110.770 108.800 0.111 0.000 2.562 341 G HA2 -0.368 3.592 3.960 -0.000 0.000 0.250 341 G HA3 -0.368 3.592 3.960 -0.000 0.000 0.250 341 G C 0.504 175.436 174.900 0.054 0.000 1.269 341 G CA 0.498 45.632 45.100 0.057 0.000 0.919 341 G HN 0.724 nan 8.290 nan 0.000 0.574 342 Q N -1.293 118.485 119.800 -0.037 0.000 2.181 342 Q HA -0.138 4.202 4.340 -0.000 0.000 0.205 342 Q C 1.772 177.629 176.000 -0.239 0.000 0.980 342 Q CA 1.956 57.648 55.803 -0.184 0.000 0.862 342 Q CB -0.120 28.416 28.738 -0.337 0.000 0.905 342 Q HN 0.698 nan 8.270 nan 0.000 0.429 343 H N -1.274 117.863 119.070 0.111 0.000 2.520 343 H HA 0.058 4.614 4.556 -0.000 0.000 0.284 343 H C -0.545 174.853 175.328 0.118 0.000 1.037 343 H CA -0.422 55.685 56.048 0.099 0.000 1.168 343 H CB -0.258 29.541 29.762 0.062 0.000 1.497 343 H HN 0.179 nan 8.280 nan 0.000 0.547 344 F N 2.146 122.144 119.950 0.080 0.000 2.604 344 F HA -0.138 4.389 4.527 -0.000 0.000 0.390 344 F C 0.961 176.801 175.800 0.067 0.000 1.053 344 F CA -0.239 57.800 58.000 0.065 0.000 1.256 344 F CB 0.398 39.412 39.000 0.024 0.000 0.996 344 F HN 0.167 nan 8.300 nan 0.000 0.564 345 C N 10.499 129.491 119.300 -0.513 0.000 2.409 345 C HA 0.035 4.495 4.460 -0.000 0.000 0.398 345 C C -0.668 174.266 174.990 -0.093 0.000 1.507 345 C CA -1.004 57.854 59.018 -0.267 0.000 1.460 345 C CB -0.502 27.078 27.740 -0.266 0.000 2.472 345 C HN 0.765 nan 8.230 nan 0.000 0.614 346 P HA 0.082 nan 4.420 nan 0.000 0.233 346 P C 1.098 178.454 177.300 0.094 0.000 1.167 346 P CA 1.493 64.672 63.100 0.132 0.000 0.770 346 P CB -0.008 31.830 31.700 0.231 0.000 0.837 347 G N 0.488 109.305 108.800 0.028 0.000 3.141 347 G HA2 -0.020 3.940 3.960 -0.000 0.000 0.218 347 G HA3 -0.020 3.940 3.960 -0.000 0.000 0.218 347 G C 1.519 176.325 174.900 -0.157 0.000 1.170 347 G CA 0.574 45.682 45.100 0.014 0.000 0.769 347 G HN 0.358 nan 8.290 nan 0.000 0.546 348 S N 1.502 116.957 115.700 -0.408 0.000 2.359 348 S HA -0.159 4.311 4.470 -0.000 0.000 0.222 348 S C 2.606 176.851 174.600 -0.593 0.000 1.038 348 S CA 1.701 59.224 58.200 -1.128 0.000 1.051 348 S CB -0.709 61.822 63.200 -1.115 0.000 0.944 348 S HN 0.542 nan 8.310 nan 0.000 0.433 349 A N 1.217 123.894 122.820 -0.239 0.000 1.972 349 A HA 0.121 4.441 4.320 -0.000 0.000 0.219 349 A C 2.260 179.833 177.584 -0.019 0.000 1.169 349 A CA 1.527 53.512 52.037 -0.086 0.000 0.635 349 A CB -0.766 18.220 19.000 -0.023 0.000 0.810 349 A HN 0.545 nan 8.150 nan 0.000 0.446 350 L N -0.242 120.974 121.223 -0.013 0.000 2.131 350 L HA 0.120 4.460 4.340 -0.000 0.000 0.206 350 L C 2.388 179.327 176.870 0.114 0.000 1.087 350 L CA 1.944 56.814 54.840 0.049 0.000 0.767 350 L CB -0.994 41.090 42.059 0.042 0.000 0.917 350 L HN 0.285 nan 8.230 nan 0.000 0.441 351 G N -0.602 108.266 108.800 0.113 0.000 2.440 351 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.218 351 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.218 351 G C 1.731 176.830 174.900 0.332 0.000 1.154 351 G CA 0.803 46.051 45.100 0.245 0.000 0.767 351 G HN 0.363 nan 8.290 nan 0.000 0.552 352 R N -0.333 120.341 120.500 0.290 0.000 2.080 352 R HA -0.021 4.319 4.340 -0.000 0.000 0.236 352 R C 2.796 179.234 176.300 0.230 0.000 1.137 352 R CA 1.153 57.422 56.100 0.283 0.000 0.943 352 R CB -0.312 30.121 30.300 0.221 0.000 0.846 352 R HN 0.140 nan 8.270 nan 0.000 0.431 353 R N -0.058 120.548 120.500 0.177 0.000 2.081 353 R HA -0.144 4.196 4.340 -0.000 0.000 0.235 353 R C 2.259 178.653 176.300 0.156 0.000 1.131 353 R CA 1.309 57.494 56.100 0.142 0.000 0.960 353 R CB -0.900 29.464 30.300 0.107 0.000 0.856 353 R HN 0.509 nan 8.270 nan 0.000 0.436 354 H N 0.410 119.541 119.070 0.102 0.000 2.319 354 H HA -0.117 4.439 4.556 -0.000 0.000 0.297 354 H C 1.591 176.973 175.328 0.091 0.000 1.097 354 H CA 2.073 58.171 56.048 0.082 0.000 1.285 354 H CB 0.216 30.041 29.762 0.105 0.000 1.368 354 H HN 0.195 nan 8.280 nan 0.000 0.495 355 A N 0.792 123.755 122.820 0.238 0.000 1.897 355 A HA -0.135 4.185 4.320 -0.000 0.000 0.215 355 A C 2.502 180.144 177.584 0.097 0.000 1.181 355 A CA 1.240 53.391 52.037 0.190 0.000 0.620 355 A CB -0.508 18.771 19.000 0.464 0.000 0.821 355 A HN 0.565 nan 8.150 nan 0.000 0.443 356 Q N -0.333 119.545 119.800 0.129 0.000 2.061 356 Q HA -0.141 4.199 4.340 -0.000 0.000 0.204 356 Q C 2.009 178.036 176.000 0.045 0.000 0.984 356 Q CA 1.791 57.649 55.803 0.092 0.000 0.846 356 Q CB -0.356 28.443 28.738 0.101 0.000 0.902 356 Q HN 0.738 nan 8.270 nan 0.000 0.421 357 I N 0.047 120.627 120.570 0.018 0.000 2.252 357 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 357 I C 2.350 178.453 176.117 -0.023 0.000 1.102 357 I CA 1.021 62.315 61.300 -0.010 0.000 1.385 357 I CB -0.644 37.344 38.000 -0.021 0.000 1.064 357 I HN 0.286 nan 8.210 nan 0.000 0.414 358 G N 1.365 110.110 108.800 -0.091 0.000 2.440 358 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.218 358 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.218 358 G C 1.706 176.696 174.900 0.150 0.000 1.154 358 G CA 0.716 45.816 45.100 -0.000 0.000 0.767 358 G HN 0.302 nan 8.290 nan 0.000 0.552 359 I N 0.317 120.926 120.570 0.065 0.000 2.202 359 I HA -0.129 4.041 4.170 -0.000 0.000 0.242 359 I C 2.660 178.795 176.117 0.031 0.000 1.091 359 I CA 1.430 62.761 61.300 0.050 0.000 1.368 359 I CB -0.238 37.786 38.000 0.039 0.000 1.058 359 I HN 0.299 nan 8.210 nan 0.000 0.410 360 E N 1.298 121.517 120.200 0.032 0.000 2.058 360 E HA -0.282 4.068 4.350 -0.000 0.000 0.194 360 E C 2.253 178.859 176.600 0.010 0.000 0.997 360 E CA 1.581 57.995 56.400 0.024 0.000 0.801 360 E CB -0.045 29.668 29.700 0.022 0.000 0.746 360 E HN 0.493 nan 8.360 nan 0.000 0.450 361 A N 1.110 123.937 122.820 0.011 0.000 1.898 361 A HA -0.132 4.188 4.320 -0.000 0.000 0.216 361 A C 2.202 179.735 177.584 -0.085 0.000 1.181 361 A CA 1.180 53.209 52.037 -0.014 0.000 0.620 361 A CB -0.649 18.363 19.000 0.020 0.000 0.819 361 A HN 0.423 nan 8.150 nan 0.000 0.442 362 L N -0.502 120.649 121.223 -0.120 0.000 2.056 362 L HA -0.080 4.260 4.340 -0.000 0.000 0.207 362 L C 2.312 179.056 176.870 -0.210 0.000 1.078 362 L CA 1.210 55.877 54.840 -0.289 0.000 0.749 362 L CB -0.206 41.621 42.059 -0.386 0.000 0.901 362 L HN 0.397 nan 8.230 nan 0.000 0.433 363 L N -0.305 120.859 121.223 -0.099 0.000 2.131 363 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 363 L C 2.939 179.810 176.870 0.002 0.000 1.092 363 L CA 1.523 56.334 54.840 -0.049 0.000 0.759 363 L CB -0.714 41.375 42.059 0.050 0.000 0.903 363 L HN 0.211 nan 8.230 nan 0.000 0.435 364 K N 0.509 120.924 120.400 0.025 0.000 2.057 364 K HA -0.162 4.157 4.320 -0.000 0.000 0.206 364 K C 2.027 178.610 176.600 -0.027 0.000 1.050 364 K CA 1.473 57.793 56.287 0.055 0.000 0.935 364 K CB -0.110 32.402 32.500 0.020 0.000 0.715 364 K HN 0.357 nan 8.250 nan 0.000 0.439 365 K N -1.141 119.185 120.400 -0.124 0.000 2.323 365 K HA 0.297 4.617 4.320 -0.000 0.000 0.197 365 K C 0.669 177.105 176.600 -0.273 0.000 1.043 365 K CA 0.767 56.943 56.287 -0.185 0.000 0.997 365 K CB 0.294 32.648 32.500 -0.243 0.000 0.807 365 K HN 0.238 nan 8.250 nan 0.000 0.497 366 M N 0.930 120.345 119.600 -0.309 0.000 3.287 366 M HA 0.153 4.633 4.480 -0.000 0.000 0.336 366 M C -2.194 173.986 176.300 -0.201 0.000 1.573 366 M CA -1.242 53.861 55.300 -0.329 0.000 0.609 366 M CB 1.611 33.871 32.600 -0.567 0.000 1.421 366 M HN -0.166 nan 8.290 nan 0.000 0.476 367 P HA -0.081 nan 4.420 nan 0.000 0.222 367 P C 1.128 178.298 177.300 -0.216 0.000 1.147 367 P CA 1.288 64.143 63.100 -0.408 0.000 0.790 367 P CB 0.123 31.323 31.700 -0.834 0.000 0.780 368 G N 0.140 108.895 108.800 -0.075 0.000 3.314 368 G HA2 0.095 4.055 3.960 -0.000 0.000 0.238 368 G HA3 0.095 4.055 3.960 -0.000 0.000 0.238 368 G C 0.212 175.144 174.900 0.055 0.000 1.184 368 G CA -0.187 44.911 45.100 -0.003 0.000 0.806 368 G HN 0.239 nan 8.290 nan 0.000 0.536 369 V N 0.775 120.713 119.914 0.039 0.000 2.644 369 V HA 0.294 4.414 4.120 -0.000 0.000 0.305 369 V C -0.513 175.610 176.094 0.047 0.000 1.053 369 V CA 0.436 62.779 62.300 0.071 0.000 1.186 369 V CB 1.297 33.106 31.823 -0.024 0.000 0.895 369 V HN 0.326 nan 8.190 nan 0.000 0.490 370 D N 3.848 124.288 120.400 0.066 0.000 2.599 370 D HA 0.348 4.988 4.640 -0.000 0.000 0.252 370 D C -0.750 175.574 176.300 0.039 0.000 1.232 370 D CA -0.601 53.422 54.000 0.037 0.000 0.819 370 D CB 1.562 42.376 40.800 0.023 0.000 1.401 370 D HN 0.524 nan 8.370 nan 0.000 0.429 371 L N 1.175 122.413 121.223 0.026 0.000 2.485 371 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 371 L C 1.300 178.176 176.870 0.009 0.000 1.207 371 L CA 0.055 54.907 54.840 0.019 0.000 0.855 371 L CB 0.901 42.970 42.059 0.017 0.000 1.114 371 L HN 0.622 nan 8.230 nan 0.000 0.485 372 A N 3.643 126.465 122.820 0.003 0.000 2.308 372 A HA 0.340 4.660 4.320 -0.000 0.000 0.217 372 A C 0.212 177.785 177.584 -0.019 0.000 1.216 372 A CA 0.211 52.239 52.037 -0.015 0.000 0.864 372 A CB 0.073 19.062 19.000 -0.019 0.000 0.902 372 A HN 0.487 nan 8.150 nan 0.000 0.499 373 V N -4.402 115.504 119.914 -0.013 0.000 3.040 373 V HA 0.672 4.792 4.120 -0.000 0.000 0.312 373 V C -3.299 172.793 176.094 -0.003 0.000 1.115 373 V CA -2.862 59.430 62.300 -0.013 0.000 0.998 373 V CB 1.237 33.047 31.823 -0.022 0.000 1.042 373 V HN 0.018 nan 8.190 nan 0.000 0.433 374 P HA 0.191 nan 4.420 nan 0.000 0.265 374 P C 0.780 178.096 177.300 0.027 0.000 1.187 374 P CA 0.079 63.188 63.100 0.015 0.000 0.766 374 P CB 0.506 32.214 31.700 0.014 0.000 0.820 375 I N 2.332 122.929 120.570 0.047 0.000 2.264 375 I HA -0.251 3.919 4.170 -0.000 0.000 0.248 375 I C 1.152 177.334 176.117 0.109 0.000 1.111 375 I CA 1.846 63.194 61.300 0.081 0.000 1.382 375 I CB -0.379 37.682 38.000 0.102 0.000 1.060 375 I HN 0.245 nan 8.210 nan 0.000 0.418 376 D N 0.092 120.546 120.400 0.090 0.000 2.371 376 D HA -0.100 4.540 4.640 -0.000 0.000 0.221 376 D C 1.785 178.129 176.300 0.072 0.000 0.986 376 D CA 0.493 54.555 54.000 0.103 0.000 0.899 376 D CB -0.062 40.782 40.800 0.073 0.000 0.902 376 D HN 0.474 nan 8.370 nan 0.000 0.530 377 Q N -0.174 119.646 119.800 0.033 0.000 2.424 377 Q HA 0.130 4.470 4.340 -0.000 0.000 0.204 377 Q C 0.806 176.772 176.000 -0.055 0.000 0.933 377 Q CA -0.025 55.776 55.803 -0.004 0.000 0.929 377 Q CB 0.551 29.282 28.738 -0.013 0.000 1.037 377 Q HN 0.364 nan 8.270 nan 0.000 0.511 378 L N 1.047 122.217 121.223 -0.089 0.000 2.485 378 L HA 0.067 4.407 4.340 -0.000 0.000 0.275 378 L C 0.109 176.761 176.870 -0.363 0.000 1.207 378 L CA -0.183 54.484 54.840 -0.288 0.000 0.855 378 L CB 0.384 42.171 42.059 -0.454 0.000 1.114 378 L HN -0.219 nan 8.230 nan 0.000 0.485 379 V N 2.059 121.721 119.914 -0.419 0.000 2.328 379 V HA 0.185 4.305 4.120 -0.000 0.000 0.278 379 V C -0.521 175.346 176.094 -0.379 0.000 1.021 379 V CA -0.499 61.640 62.300 -0.268 0.000 0.838 379 V CB 0.796 32.527 31.823 -0.154 0.000 0.999 379 V HN 0.549 nan 8.190 nan 0.000 0.447 380 W N 4.433 125.728 121.300 -0.008 0.000 2.322 380 W HA 0.488 5.148 4.660 -0.000 0.000 0.307 380 W C 0.845 177.353 176.519 -0.017 0.000 1.220 380 W CA -0.461 56.880 57.345 -0.006 0.000 1.210 380 W CB 0.531 29.996 29.460 0.009 0.000 1.223 380 W HN 0.434 nan 8.180 nan 0.000 0.511 381 R N 2.539 123.128 120.500 0.147 0.000 2.489 381 R HA 0.145 4.485 4.340 -0.000 0.000 0.287 381 R C 0.309 176.687 176.300 0.129 0.000 1.053 381 R CA 0.272 56.397 56.100 0.043 0.000 1.036 381 R CB 0.419 30.641 30.300 -0.129 0.000 0.966 381 R HN 0.559 nan 8.270 nan 0.000 0.432 382 T N 1.451 116.061 114.554 0.094 0.000 2.945 382 T HA 0.352 4.702 4.350 -0.000 0.000 0.286 382 T C -0.063 174.715 174.700 0.131 0.000 1.025 382 T CA -0.984 61.183 62.100 0.112 0.000 1.039 382 T CB 1.300 70.217 68.868 0.081 0.000 1.068 382 T HN 0.762 nan 8.240 nan 0.000 0.497 383 R N -0.112 120.459 120.500 0.119 0.000 3.333 383 R HA -0.158 4.182 4.340 -0.000 0.000 0.256 383 R C -1.173 175.249 176.300 0.204 0.000 1.010 383 R CA 0.267 56.434 56.100 0.111 0.000 0.680 383 R CB -1.984 28.360 30.300 0.072 0.000 1.102 383 R HN 0.659 nan 8.270 nan 0.000 0.440 384 F N -0.834 119.122 119.950 0.009 0.000 2.613 384 F HA 0.201 4.728 4.527 -0.000 0.000 0.314 384 F C 1.293 177.093 175.800 0.001 0.000 1.075 384 F CA -0.963 57.046 58.000 0.014 0.000 0.945 384 F CB 1.507 40.522 39.000 0.026 0.000 1.310 384 F HN -0.109 nan 8.300 nan 0.000 0.467 385 Q N 1.445 120.923 119.800 -0.538 0.000 2.435 385 Q HA 0.093 4.433 4.340 -0.000 0.000 0.207 385 Q C -0.093 175.718 176.000 -0.314 0.000 0.956 385 Q CA 0.727 56.308 55.803 -0.370 0.000 0.917 385 Q CB 0.268 28.791 28.738 -0.359 0.000 0.997 385 Q HN 0.213 nan 8.270 nan 0.000 0.497 386 R N 0.174 120.576 120.500 -0.162 0.000 2.854 386 R HA 0.447 4.787 4.340 -0.000 0.000 0.271 386 R C -0.653 175.798 176.300 0.251 0.000 0.996 386 R CA -0.678 55.437 56.100 0.025 0.000 0.961 386 R CB 1.189 31.523 30.300 0.056 0.000 1.182 386 R HN 0.007 nan 8.270 nan 0.000 0.479 387 R N 2.098 122.715 120.500 0.195 0.000 2.207 387 R HA 0.532 4.872 4.340 -0.000 0.000 0.334 387 R C 0.017 176.539 176.300 0.369 0.000 1.013 387 R CA -0.265 55.992 56.100 0.262 0.000 0.858 387 R CB 0.507 30.885 30.300 0.130 0.000 1.094 387 R HN 0.557 nan 8.270 nan 0.000 0.457 388 I N -0.384 120.440 120.570 0.424 0.000 2.827 388 I HA 0.560 4.730 4.170 -0.000 0.000 0.298 388 I C -2.783 173.348 176.117 0.022 0.000 1.235 388 I CA -3.079 58.386 61.300 0.274 0.000 1.021 388 I CB 2.817 40.881 38.000 0.107 0.000 1.259 388 I HN 0.334 nan 8.210 nan 0.000 0.427 389 P HA 0.195 nan 4.420 nan 0.000 0.278 389 P C -0.122 176.981 177.300 -0.328 0.000 1.238 389 P CA 0.008 62.689 63.100 -0.699 0.000 0.794 389 P CB 1.371 32.587 31.700 -0.807 0.000 0.955 390 E N 2.002 122.030 120.200 -0.288 0.000 2.110 390 E HA -0.102 4.248 4.350 -0.000 0.000 0.193 390 E C 0.459 176.976 176.600 -0.138 0.000 0.988 390 E CA 1.347 57.641 56.400 -0.176 0.000 0.804 390 E CB 0.144 29.756 29.700 -0.146 0.000 0.745 390 E HN 0.528 nan 8.360 nan 0.000 0.458 391 R N -0.235 120.168 120.500 -0.162 0.000 2.744 391 R HA 0.442 4.782 4.340 -0.000 0.000 0.279 391 R C -0.971 175.247 176.300 -0.138 0.000 0.977 391 R CA -0.760 55.272 56.100 -0.113 0.000 0.906 391 R CB 1.683 31.933 30.300 -0.085 0.000 1.197 391 R HN -0.108 nan 8.270 nan 0.000 0.463 392 L N 3.350 124.522 121.223 -0.084 0.000 2.457 392 L HA 0.463 4.803 4.340 -0.000 0.000 0.252 392 L C -2.672 174.182 176.870 -0.027 0.000 1.132 392 L CA -2.215 52.582 54.840 -0.071 0.000 0.938 392 L CB 1.171 43.199 42.059 -0.052 0.000 1.246 392 L HN 0.396 nan 8.230 nan 0.000 0.476 393 P HA 0.293 nan 4.420 nan 0.000 0.276 393 P C -0.853 176.460 177.300 0.022 0.000 1.243 393 P CA 0.022 63.122 63.100 0.001 0.000 0.768 393 P CB 1.156 32.847 31.700 -0.016 0.000 0.856 394 V N 2.119 122.074 119.914 0.069 0.000 3.102 394 V HA 0.816 4.936 4.120 -0.000 0.000 0.312 394 V C -0.621 175.568 176.094 0.158 0.000 1.135 394 V CA -1.122 61.241 62.300 0.105 0.000 1.022 394 V CB 1.745 33.641 31.823 0.121 0.000 1.056 394 V HN 0.331 nan 8.190 nan 0.000 0.436 395 L N 0.054 121.351 121.223 0.124 0.000 2.230 395 L HA 1.119 5.459 4.340 -0.000 0.000 0.255 395 L C -0.478 176.520 176.870 0.213 0.000 1.039 395 L CA -0.540 54.302 54.840 0.004 0.000 0.846 395 L CB 1.400 43.361 42.059 -0.164 0.000 1.419 395 L HN 1.138 nan 8.230 nan 0.000 0.435 396 W N 0.000 121.260 121.300 -0.067 0.000 2.388 396 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 396 W CA 0.000 57.299 57.345 -0.077 0.000 1.226 396 W CB 0.000 29.402 29.460 -0.097 0.000 1.126 396 W HN 0.000 nan 8.180 nan 0.000 0.535