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 1mas_1_B DATA FIRST_RESID 2 DATA SEQUENCE AKKIILDCDP GLDDAVAILL AHGNPEIELL AITTVVGNQT LAKVTRNAQL DATA SEQUENCE VADIAGITGV PIAAGCDKPL VRKIMTXXXX XXXXXXXXXX XXXXXKNKVD DATA SEQUENCE ERHAVNLIID LVMSHEPKTI TLVPTGGLTN IAMAARLEPR IVDRVKEVVL DATA SEQUENCE MGGGYHEGNA TSVAEFNIII DPEAAHIVFN ESWQVTMVGL DLTHQALATP DATA SEQUENCE PILQRVKEVD TNPARFMLEI MDYYTKIYQS NRYMAAAAVH DPCAVAYVID DATA SEQUENCE PSVMTTERVP VDIELTGKLT LGMTVADFRN PRPEHCHTQV AVKLDFEKFW DATA SEQUENCE GLVLDALERI GDPQ VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.581 177.584 -0.005 0.000 1.274 2 A CA 0.000 52.034 52.037 -0.005 0.000 0.836 2 A CB 0.000 19.000 19.000 -0.001 0.000 0.831 3 K N 1.758 122.152 120.400 -0.011 0.000 4.470 3 K HA -0.163 4.156 4.320 -0.001 0.000 0.427 3 K C -0.749 175.847 176.600 -0.008 0.000 0.889 3 K CA 1.208 57.487 56.287 -0.012 0.000 0.920 3 K CB -0.500 31.986 32.500 -0.025 0.000 1.953 3 K HN 0.545 nan 8.250 nan 0.000 0.290 4 K N 3.706 124.101 120.400 -0.008 0.000 2.234 4 K HA 0.493 4.812 4.320 -0.001 0.000 0.282 4 K C 0.573 177.155 176.600 -0.030 0.000 1.039 4 K CA -0.532 55.745 56.287 -0.016 0.000 0.928 4 K CB 0.765 33.252 32.500 -0.020 0.000 1.039 4 K HN 0.562 nan 8.250 nan 0.000 0.470 5 I N -1.565 118.985 120.570 -0.033 0.000 3.467 5 I HA 0.575 4.744 4.170 -0.001 0.000 0.314 5 I C -0.961 175.129 176.117 -0.045 0.000 1.177 5 I CA -1.284 59.993 61.300 -0.037 0.000 0.943 5 I CB 1.907 39.893 38.000 -0.023 0.000 1.338 5 I HN 0.418 nan 8.210 nan 0.000 0.482 6 I N 3.012 123.556 120.570 -0.043 0.000 2.576 6 I HA 0.278 4.447 4.170 -0.001 0.000 0.279 6 I C -1.055 175.042 176.117 -0.033 0.000 1.114 6 I CA -0.336 60.940 61.300 -0.040 0.000 1.076 6 I CB 1.953 39.927 38.000 -0.044 0.000 1.212 6 I HN 0.510 nan 8.210 nan 0.000 0.472 7 L N 5.894 127.103 121.223 -0.024 0.000 2.407 7 L HA 0.299 4.638 4.340 -0.001 0.000 0.282 7 L C -0.144 176.715 176.870 -0.018 0.000 1.110 7 L CA 0.211 55.040 54.840 -0.018 0.000 0.863 7 L CB 0.437 42.491 42.059 -0.007 0.000 1.207 7 L HN 0.486 nan 8.230 nan 0.000 0.454 8 D N 5.001 125.388 120.400 -0.020 0.000 2.249 8 D HA 0.528 5.167 4.640 -0.001 0.000 0.246 8 D C -0.655 175.639 176.300 -0.010 0.000 1.114 8 D CA -0.191 53.800 54.000 -0.015 0.000 0.854 8 D CB 0.821 41.614 40.800 -0.013 0.000 1.132 8 D HN 0.786 nan 8.370 nan 0.000 0.461 9 C N 2.209 121.503 119.300 -0.010 0.000 3.320 9 C HA 0.692 5.152 4.460 -0.001 0.000 0.335 9 C C -1.390 173.593 174.990 -0.011 0.000 1.430 9 C CA -0.838 58.176 59.018 -0.007 0.000 1.271 9 C CB 1.524 29.262 27.740 -0.003 0.000 1.609 9 C HN 0.654 nan 8.230 nan 0.000 0.457 10 D N -1.288 119.105 120.400 -0.012 0.000 2.938 10 D HA 0.310 4.949 4.640 -0.001 0.000 0.369 10 D C -2.673 173.611 176.300 -0.027 0.000 1.301 10 D CA -1.280 52.709 54.000 -0.020 0.000 0.805 10 D CB -0.353 40.435 40.800 -0.021 0.000 1.161 10 D HN 0.484 nan 8.370 nan 0.000 0.474 11 P HA 0.190 nan 4.420 nan 0.000 0.261 11 P C 0.532 177.819 177.300 -0.021 0.000 1.133 11 P CA 0.966 64.064 63.100 -0.003 0.000 0.756 11 P CB 0.550 32.257 31.700 0.012 0.000 0.726 12 G N 1.220 110.003 108.800 -0.028 0.000 2.489 12 G HA2 0.241 4.201 3.960 -0.001 0.000 0.305 12 G HA3 0.241 4.201 3.960 -0.001 0.000 0.305 12 G C 0.167 175.041 174.900 -0.043 0.000 1.311 12 G CA -0.621 44.422 45.100 -0.094 0.000 0.813 12 G HN 0.524 nan 8.290 nan 0.000 0.480 13 L N -0.105 121.045 121.223 -0.122 0.000 1.978 13 L HA -0.231 4.108 4.340 -0.001 0.000 0.235 13 L C 2.592 179.490 176.870 0.046 0.000 1.094 13 L CA 2.880 57.752 54.840 0.055 0.000 0.814 13 L CB -0.261 41.826 42.059 0.046 0.000 0.911 13 L HN 0.639 nan 8.230 nan 0.000 0.442 14 D N -0.464 119.935 120.400 -0.003 0.000 2.104 14 D HA -0.191 4.448 4.640 -0.001 0.000 0.194 14 D C 1.700 178.028 176.300 0.046 0.000 0.994 14 D CA 1.666 55.682 54.000 0.027 0.000 0.830 14 D CB -0.647 40.173 40.800 0.034 0.000 0.959 14 D HN 0.485 nan 8.370 nan 0.000 0.452 15 D N 1.010 121.428 120.400 0.030 0.000 2.160 15 D HA -0.221 4.418 4.640 -0.001 0.000 0.189 15 D C 2.034 178.374 176.300 0.067 0.000 1.003 15 D CA 2.227 56.248 54.000 0.036 0.000 0.846 15 D CB -0.339 40.472 40.800 0.017 0.000 0.949 15 D HN 0.193 nan 8.370 nan 0.000 0.446 16 A N 0.389 123.270 122.820 0.102 0.000 1.882 16 A HA -0.304 4.016 4.320 -0.001 0.000 0.220 16 A C 2.481 180.165 177.584 0.166 0.000 1.253 16 A CA 2.591 54.730 52.037 0.170 0.000 0.664 16 A CB -1.268 17.918 19.000 0.310 0.000 0.838 16 A HN 0.167 nan 8.150 nan 0.000 0.460 17 V N -0.252 119.755 119.914 0.155 0.000 2.255 17 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 17 V C 3.062 179.207 176.094 0.084 0.000 1.051 17 V CA 2.338 64.713 62.300 0.125 0.000 1.018 17 V CB -1.607 30.275 31.823 0.098 0.000 0.641 17 V HN 0.720 nan 8.190 nan 0.000 0.445 18 A N -0.139 122.722 122.820 0.068 0.000 1.958 18 A HA -0.246 4.073 4.320 -0.001 0.000 0.221 18 A C 2.189 179.805 177.584 0.052 0.000 1.178 18 A CA 2.334 54.403 52.037 0.053 0.000 0.642 18 A CB -0.678 18.349 19.000 0.046 0.000 0.816 18 A HN 0.568 nan 8.150 nan 0.000 0.453 19 I N -0.567 120.039 120.570 0.060 0.000 2.202 19 I HA -0.252 3.917 4.170 -0.001 0.000 0.242 19 I C 2.391 178.556 176.117 0.081 0.000 1.091 19 I CA 1.138 62.471 61.300 0.055 0.000 1.368 19 I CB -0.436 37.589 38.000 0.043 0.000 1.058 19 I HN 0.323 nan 8.210 nan 0.000 0.410 20 L N 0.122 121.400 121.223 0.092 0.000 1.989 20 L HA -0.241 4.098 4.340 -0.001 0.000 0.211 20 L C 2.649 179.559 176.870 0.066 0.000 1.071 20 L CA 1.148 56.048 54.840 0.100 0.000 0.749 20 L CB -0.769 41.354 42.059 0.107 0.000 0.890 20 L HN 0.284 nan 8.230 nan 0.000 0.431 21 L N 0.275 121.521 121.223 0.037 0.000 2.131 21 L HA -0.129 4.210 4.340 -0.001 0.000 0.210 21 L C 2.531 179.409 176.870 0.013 0.000 1.092 21 L CA 1.884 56.724 54.840 -0.001 0.000 0.759 21 L CB -0.677 41.368 42.059 -0.023 0.000 0.903 21 L HN 0.152 nan 8.230 nan 0.000 0.435 22 A N -1.141 121.706 122.820 0.044 0.000 1.855 22 A HA -0.244 4.075 4.320 -0.001 0.000 0.215 22 A C 2.281 179.920 177.584 0.091 0.000 1.191 22 A CA 1.567 53.635 52.037 0.052 0.000 0.613 22 A CB -1.035 17.995 19.000 0.050 0.000 0.829 22 A HN 0.688 nan 8.150 nan 0.000 0.442 23 H N 0.036 119.101 119.070 -0.009 0.000 2.274 23 H HA -0.048 4.507 4.556 -0.001 0.000 0.296 23 H C 2.120 177.441 175.328 -0.011 0.000 1.061 23 H CA 1.936 57.978 56.048 -0.011 0.000 1.226 23 H CB -1.051 28.704 29.762 -0.012 0.000 1.370 23 H HN 0.285 nan 8.280 nan 0.000 0.507 24 G N 0.721 109.371 108.800 -0.250 0.000 2.615 24 G HA2 -0.226 3.733 3.960 -0.001 0.000 0.213 24 G HA3 -0.226 3.733 3.960 -0.001 0.000 0.213 24 G C 0.641 175.451 174.900 -0.151 0.000 1.135 24 G CA 0.343 45.263 45.100 -0.299 0.000 0.772 24 G HN 0.539 nan 8.290 nan 0.000 0.542 25 N N 0.187 118.835 118.700 -0.086 0.000 2.421 25 N HA 0.202 4.941 4.740 -0.001 0.000 0.285 25 N C -1.446 174.037 175.510 -0.045 0.000 1.027 25 N CA -1.803 51.212 53.050 -0.058 0.000 0.918 25 N CB 2.775 41.239 38.487 -0.039 0.000 1.152 25 N HN -0.156 nan 8.380 nan 0.000 0.485 26 P HA -0.102 nan 4.420 nan 0.000 0.216 26 P C 0.583 177.872 177.300 -0.018 0.000 1.153 26 P CA 1.226 64.307 63.100 -0.031 0.000 0.848 26 P CB 0.418 32.099 31.700 -0.031 0.000 0.787 27 E N -1.357 118.830 120.200 -0.021 0.000 2.516 27 E HA -0.006 4.343 4.350 -0.001 0.000 0.199 27 E C -0.037 176.555 176.600 -0.013 0.000 1.069 27 E CA -0.041 56.348 56.400 -0.018 0.000 0.876 27 E CB -0.200 29.483 29.700 -0.027 0.000 0.843 27 E HN 0.129 nan 8.360 nan 0.000 0.530 28 I N 1.070 121.636 120.570 -0.006 0.000 2.362 28 I HA 0.126 4.295 4.170 -0.001 0.000 0.289 28 I C -0.325 175.803 176.117 0.018 0.000 0.994 28 I CA -0.713 60.589 61.300 0.004 0.000 1.158 28 I CB 1.690 39.695 38.000 0.008 0.000 1.315 28 I HN -0.147 nan 8.210 nan 0.000 0.451 29 E N 6.728 126.936 120.200 0.014 0.000 2.092 29 E HA 0.290 4.639 4.350 -0.001 0.000 0.271 29 E C -0.750 175.857 176.600 0.013 0.000 0.919 29 E CA -0.453 55.960 56.400 0.022 0.000 0.760 29 E CB 0.924 30.637 29.700 0.021 0.000 1.106 29 E HN 0.542 nan 8.360 nan 0.000 0.408 30 L N 7.500 128.735 121.223 0.019 0.000 2.480 30 L HA 0.101 4.440 4.340 -0.001 0.000 0.243 30 L C 1.399 178.262 176.870 -0.012 0.000 1.315 30 L CA -0.220 54.623 54.840 0.004 0.000 1.231 30 L CB -0.013 42.052 42.059 0.010 0.000 1.444 30 L HN 0.813 nan 8.230 nan 0.000 0.409 31 L N 1.349 122.559 121.223 -0.022 0.000 2.054 31 L HA -0.240 4.099 4.340 -0.001 0.000 0.220 31 L C 1.044 177.898 176.870 -0.027 0.000 1.081 31 L CA 1.836 56.657 54.840 -0.031 0.000 0.780 31 L CB -0.748 41.260 42.059 -0.086 0.000 0.893 31 L HN 0.660 nan 8.230 nan 0.000 0.438 32 A N -1.486 121.315 122.820 -0.032 0.000 2.586 32 A HA 0.656 4.975 4.320 -0.001 0.000 0.290 32 A C -1.190 176.377 177.584 -0.029 0.000 1.086 32 A CA -0.601 51.419 52.037 -0.029 0.000 0.665 32 A CB 1.420 20.405 19.000 -0.024 0.000 1.279 32 A HN 0.012 nan 8.150 nan 0.000 0.423 33 I N 2.468 123.019 120.570 -0.030 0.000 2.411 33 I HA 0.361 4.530 4.170 -0.001 0.000 0.284 33 I C 0.006 176.105 176.117 -0.030 0.000 1.012 33 I CA -0.177 61.106 61.300 -0.029 0.000 1.119 33 I CB 1.120 39.099 38.000 -0.034 0.000 1.261 33 I HN 0.772 nan 8.210 nan 0.000 0.448 34 T N 1.727 116.265 114.554 -0.027 0.000 2.943 34 T HA 0.535 4.885 4.350 -0.001 0.000 0.284 34 T C 0.121 174.800 174.700 -0.035 0.000 1.015 34 T CA -0.650 61.430 62.100 -0.032 0.000 1.042 34 T CB 2.436 71.290 68.868 -0.023 0.000 1.055 34 T HN 0.442 nan 8.240 nan 0.000 0.500 35 T N 1.014 115.537 114.554 -0.051 0.000 2.863 35 T HA 0.655 5.004 4.350 -0.001 0.000 0.285 35 T C -1.337 173.333 174.700 -0.051 0.000 1.009 35 T CA -0.539 61.533 62.100 -0.047 0.000 0.989 35 T CB 1.577 70.415 68.868 -0.049 0.000 1.004 35 T HN 0.646 nan 8.240 nan 0.000 0.455 36 V N 4.295 124.192 119.914 -0.028 0.000 2.888 36 V HA 0.623 4.742 4.120 -0.001 0.000 0.309 36 V C -0.121 175.969 176.094 -0.006 0.000 1.114 36 V CA -0.754 61.539 62.300 -0.013 0.000 0.940 36 V CB 2.151 33.978 31.823 0.006 0.000 1.021 36 V HN 0.739 nan 8.190 nan 0.000 0.426 37 V N 7.160 127.075 119.914 0.002 0.000 2.694 37 V HA 0.568 4.687 4.120 -0.001 0.000 0.306 37 V C 0.794 176.892 176.094 0.007 0.000 1.054 37 V CA 1.677 63.980 62.300 0.005 0.000 1.161 37 V CB 0.633 32.465 31.823 0.015 0.000 0.916 37 V HN 1.226 nan 8.190 nan 0.000 0.490 38 G N 3.993 112.791 108.800 -0.003 0.000 3.247 38 G HA2 0.222 4.181 3.960 -0.001 0.000 0.199 38 G HA3 0.222 4.181 3.960 -0.001 0.000 0.199 38 G C 0.492 175.386 174.900 -0.011 0.000 1.172 38 G CA -0.038 45.057 45.100 -0.007 0.000 0.844 38 G HN 0.776 nan 8.290 nan 0.000 0.619 39 N N -0.373 118.304 118.700 -0.037 0.000 2.192 39 N HA -0.094 4.645 4.740 -0.001 0.000 0.188 39 N C 0.994 176.483 175.510 -0.035 0.000 1.013 39 N CA 1.215 54.239 53.050 -0.044 0.000 0.863 39 N CB -0.083 38.334 38.487 -0.117 0.000 0.990 39 N HN 0.458 nan 8.380 nan 0.000 0.430 40 Q N -0.292 119.484 119.800 -0.040 0.000 2.241 40 Q HA 0.282 4.621 4.340 -0.001 0.000 0.262 40 Q C -0.288 175.705 176.000 -0.011 0.000 1.014 40 Q CA -0.873 54.914 55.803 -0.026 0.000 0.885 40 Q CB 1.501 30.218 28.738 -0.035 0.000 1.311 40 Q HN 0.280 nan 8.270 nan 0.000 0.461 41 T N -0.676 113.877 114.554 -0.003 0.000 2.930 41 T HA -0.001 4.348 4.350 -0.001 0.000 0.306 41 T C 1.132 175.831 174.700 -0.002 0.000 1.045 41 T CA -0.466 61.636 62.100 0.002 0.000 1.134 41 T CB 0.418 69.290 68.868 0.007 0.000 0.961 41 T HN 0.571 nan 8.240 nan 0.000 0.545 42 L N 4.211 125.433 121.223 -0.002 0.000 2.034 42 L HA -0.088 4.251 4.340 -0.001 0.000 0.217 42 L C 2.715 179.579 176.870 -0.011 0.000 1.077 42 L CA 2.803 57.637 54.840 -0.010 0.000 0.769 42 L CB -1.521 40.532 42.059 -0.011 0.000 0.890 42 L HN 0.985 nan 8.230 nan 0.000 0.435 43 A N -0.378 122.439 122.820 -0.005 0.000 1.842 43 A HA -0.286 4.033 4.320 -0.001 0.000 0.217 43 A C 2.228 179.812 177.584 -0.001 0.000 1.206 43 A CA 2.465 54.500 52.037 -0.003 0.000 0.630 43 A CB -0.743 18.259 19.000 0.003 0.000 0.839 43 A HN 0.515 nan 8.150 nan 0.000 0.447 44 K N -0.568 119.834 120.400 0.003 0.000 2.089 44 K HA -0.161 4.158 4.320 -0.001 0.000 0.210 44 K C 1.938 178.540 176.600 0.004 0.000 1.048 44 K CA 1.567 57.858 56.287 0.008 0.000 0.926 44 K CB -1.007 31.499 32.500 0.010 0.000 0.714 44 K HN 0.328 nan 8.250 nan 0.000 0.448 45 V N 1.713 121.624 119.914 -0.005 0.000 2.490 45 V HA -0.210 3.910 4.120 -0.001 0.000 0.250 45 V C 2.206 178.294 176.094 -0.010 0.000 1.061 45 V CA 2.025 64.319 62.300 -0.010 0.000 1.064 45 V CB -0.571 31.241 31.823 -0.017 0.000 0.670 45 V HN 0.437 nan 8.190 nan 0.000 0.461 46 T N -0.734 113.812 114.554 -0.014 0.000 2.732 46 T HA -0.157 4.192 4.350 -0.001 0.000 0.261 46 T C 2.014 176.707 174.700 -0.013 0.000 1.040 46 T CA 1.265 63.354 62.100 -0.018 0.000 1.145 46 T CB -0.221 68.632 68.868 -0.025 0.000 0.866 46 T HN 0.355 nan 8.240 nan 0.000 0.427 47 R N 1.210 121.707 120.500 -0.006 0.000 2.143 47 R HA -0.179 4.160 4.340 -0.001 0.000 0.239 47 R C 2.535 178.835 176.300 0.001 0.000 1.126 47 R CA 1.918 58.017 56.100 -0.001 0.000 0.927 47 R CB -0.489 29.817 30.300 0.009 0.000 0.860 47 R HN 0.270 nan 8.270 nan 0.000 0.433 48 N N 0.078 118.785 118.700 0.013 0.000 2.049 48 N HA -0.235 4.504 4.740 -0.001 0.000 0.198 48 N C 1.596 177.110 175.510 0.007 0.000 1.030 48 N CA 1.960 55.026 53.050 0.026 0.000 0.870 48 N CB -0.527 37.982 38.487 0.036 0.000 1.045 48 N HN 0.345 nan 8.380 nan 0.000 0.434 49 A N 0.761 123.579 122.820 -0.004 0.000 1.933 49 A HA -0.179 4.140 4.320 -0.001 0.000 0.218 49 A C 2.152 179.715 177.584 -0.036 0.000 1.175 49 A CA 1.404 53.431 52.037 -0.017 0.000 0.628 49 A CB -0.482 18.506 19.000 -0.020 0.000 0.814 49 A HN 0.436 nan 8.150 nan 0.000 0.444 50 Q N -0.950 118.830 119.800 -0.033 0.000 2.016 50 Q HA -0.147 4.192 4.340 -0.001 0.000 0.200 50 Q C 2.131 178.098 176.000 -0.055 0.000 0.978 50 Q CA 1.345 57.123 55.803 -0.041 0.000 0.833 50 Q CB -0.494 28.226 28.738 -0.030 0.000 0.895 50 Q HN 0.604 nan 8.270 nan 0.000 0.427 51 L N 1.037 122.232 121.223 -0.047 0.000 1.976 51 L HA -0.236 4.103 4.340 -0.001 0.000 0.223 51 L C 2.179 178.967 176.870 -0.138 0.000 1.081 51 L CA 1.958 56.756 54.840 -0.070 0.000 0.784 51 L CB -1.054 40.983 42.059 -0.036 0.000 0.896 51 L HN 0.053 nan 8.230 nan 0.000 0.438 52 V N 0.576 120.398 119.914 -0.153 0.000 2.282 52 V HA -0.344 3.775 4.120 -0.001 0.000 0.249 52 V C 2.903 178.890 176.094 -0.178 0.000 1.057 52 V CA 1.995 64.152 62.300 -0.238 0.000 1.032 52 V CB -2.063 29.678 31.823 -0.136 0.000 0.645 52 V HN 0.724 nan 8.190 nan 0.000 0.447 53 A N 0.290 123.039 122.820 -0.118 0.000 1.873 53 A HA -0.323 3.996 4.320 -0.001 0.000 0.218 53 A C 1.982 179.498 177.584 -0.113 0.000 1.193 53 A CA 2.433 54.402 52.037 -0.112 0.000 0.629 53 A CB -0.894 18.049 19.000 -0.095 0.000 0.826 53 A HN 0.537 nan 8.150 nan 0.000 0.447 54 D N -0.034 120.306 120.400 -0.100 0.000 2.137 54 D HA -0.180 4.459 4.640 -0.001 0.000 0.189 54 D C 1.841 178.084 176.300 -0.096 0.000 0.998 54 D CA 1.593 55.542 54.000 -0.085 0.000 0.839 54 D CB -0.438 40.315 40.800 -0.078 0.000 0.962 54 D HN 0.300 nan 8.370 nan 0.000 0.446 55 I N 0.933 121.414 120.570 -0.148 0.000 2.227 55 I HA -0.278 3.891 4.170 -0.001 0.000 0.250 55 I C 2.223 178.268 176.117 -0.121 0.000 1.087 55 I CA 1.115 62.300 61.300 -0.192 0.000 1.352 55 I CB -1.590 36.151 38.000 -0.432 0.000 1.043 55 I HN -0.033 nan 8.210 nan 0.000 0.425 56 A N -0.369 122.396 122.820 -0.090 0.000 2.218 56 A HA 0.424 4.743 4.320 -0.001 0.000 0.209 56 A C 1.700 179.328 177.584 0.074 0.000 1.168 56 A CA 0.646 52.699 52.037 0.026 0.000 0.804 56 A CB -0.709 18.335 19.000 0.074 0.000 0.834 56 A HN 0.656 nan 8.150 nan 0.000 0.482 57 G N 0.251 109.047 108.800 -0.007 0.000 2.370 57 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.295 57 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.295 57 G C -0.215 174.664 174.900 -0.034 0.000 1.045 57 G CA 0.433 45.535 45.100 0.004 0.000 1.199 57 G HN 0.563 nan 8.290 nan 0.000 0.513 58 I N 0.836 121.310 120.570 -0.161 0.000 2.441 58 I HA 0.695 4.864 4.170 -0.001 0.000 0.295 58 I C 0.608 176.624 176.117 -0.169 0.000 0.994 58 I CA -0.378 60.729 61.300 -0.322 0.000 1.144 58 I CB 2.097 39.839 38.000 -0.429 0.000 1.314 58 I HN 0.385 nan 8.210 nan 0.000 0.445 59 T N -0.057 114.415 114.554 -0.136 0.000 2.883 59 T HA 0.629 4.978 4.350 -0.001 0.000 0.301 59 T C 0.575 175.238 174.700 -0.062 0.000 1.158 59 T CA -0.111 61.944 62.100 -0.075 0.000 1.007 59 T CB 1.843 70.686 68.868 -0.041 0.000 1.186 59 T HN 1.067 nan 8.240 nan 0.000 0.499 60 G N 0.013 108.789 108.800 -0.041 0.000 2.184 60 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.264 60 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.264 60 G C 0.011 174.894 174.900 -0.029 0.000 0.975 60 G CA 0.102 45.187 45.100 -0.025 0.000 0.642 60 G HN 1.305 nan 8.290 nan 0.000 0.536 61 V N 3.110 122.994 119.914 -0.050 0.000 2.347 61 V HA 0.479 4.598 4.120 -0.001 0.000 0.280 61 V C -1.389 174.680 176.094 -0.041 0.000 1.021 61 V CA -1.571 60.700 62.300 -0.048 0.000 0.847 61 V CB 1.561 33.339 31.823 -0.075 0.000 0.990 61 V HN 0.226 nan 8.190 nan 0.000 0.444 62 P HA 0.320 nan 4.420 nan 0.000 0.271 62 P C -0.702 176.581 177.300 -0.028 0.000 1.216 62 P CA 0.021 63.108 63.100 -0.022 0.000 0.776 62 P CB 1.063 32.758 31.700 -0.009 0.000 0.881 63 I N 1.816 122.369 120.570 -0.030 0.000 2.420 63 I HA 0.455 4.624 4.170 -0.001 0.000 0.282 63 I C 0.000 176.097 176.117 -0.034 0.000 1.019 63 I CA -0.755 60.525 61.300 -0.034 0.000 1.130 63 I CB 1.582 39.560 38.000 -0.037 0.000 1.262 63 I HN 0.329 nan 8.210 nan 0.000 0.454 64 A N 5.004 127.801 122.820 -0.039 0.000 2.337 64 A HA 0.883 5.202 4.320 -0.001 0.000 0.329 64 A C -0.203 177.330 177.584 -0.085 0.000 1.146 64 A CA -0.554 51.452 52.037 -0.052 0.000 0.800 64 A CB 1.441 20.417 19.000 -0.039 0.000 1.220 64 A HN 0.751 nan 8.150 nan 0.000 0.472 65 A N 1.701 124.452 122.820 -0.115 0.000 2.289 65 A HA 0.657 4.976 4.320 -0.001 0.000 0.298 65 A C 0.792 178.172 177.584 -0.340 0.000 1.208 65 A CA 0.249 52.192 52.037 -0.157 0.000 0.845 65 A CB 0.206 19.137 19.000 -0.115 0.000 1.125 65 A HN 1.502 nan 8.150 nan 0.000 0.517 66 G N 0.252 108.856 108.800 -0.326 0.000 3.022 66 G HA2 0.397 4.357 3.960 -0.001 0.000 0.157 66 G HA3 0.397 4.357 3.960 -0.001 0.000 0.157 66 G C 0.087 174.789 174.900 -0.330 0.000 1.468 66 G CA -0.172 44.618 45.100 -0.517 0.000 1.058 66 G HN 0.900 nan 8.290 nan 0.000 0.581 67 C N 1.067 120.360 119.300 -0.011 0.000 2.676 67 C HA 0.283 4.742 4.460 -0.001 0.000 0.416 67 C C 1.266 176.282 174.990 0.042 0.000 1.299 67 C CA 0.071 59.150 59.018 0.101 0.000 2.048 67 C CB 0.603 28.425 27.740 0.137 0.000 2.713 67 C HN 0.797 nan 8.230 nan 0.000 0.624 68 D N 0.363 120.796 120.400 0.055 0.000 2.398 68 D HA 0.056 4.695 4.640 -0.001 0.000 0.210 68 D C 0.228 176.549 176.300 0.035 0.000 1.094 68 D CA 0.158 54.178 54.000 0.034 0.000 0.839 68 D CB 0.179 40.997 40.800 0.030 0.000 0.963 68 D HN 0.815 nan 8.370 nan 0.000 0.506 69 K N -0.067 120.359 120.400 0.043 0.000 2.542 69 K HA 0.470 4.789 4.320 -0.001 0.000 0.259 69 K C -3.418 173.207 176.600 0.042 0.000 0.932 69 K CA -1.638 54.672 56.287 0.038 0.000 0.820 69 K CB 1.628 34.148 32.500 0.033 0.000 1.345 69 K HN -0.325 nan 8.250 nan 0.000 0.432 70 P HA -0.041 nan 4.420 nan 0.000 0.269 70 P C 0.977 178.301 177.300 0.040 0.000 1.217 70 P CA -0.667 62.458 63.100 0.042 0.000 0.783 70 P CB 0.404 32.126 31.700 0.037 0.000 0.898 71 L N 2.508 123.758 121.223 0.045 0.000 1.978 71 L HA -0.228 4.112 4.340 -0.001 0.000 0.218 71 L C 1.965 178.852 176.870 0.028 0.000 1.075 71 L CA 2.309 57.173 54.840 0.040 0.000 0.767 71 L CB -1.055 41.031 42.059 0.045 0.000 0.890 71 L HN 0.248 nan 8.230 nan 0.000 0.434 72 V N -2.242 117.686 119.914 0.024 0.000 2.996 72 V HA 0.159 4.278 4.120 -0.001 0.000 0.235 72 V C 0.937 177.039 176.094 0.013 0.000 1.205 72 V CA -0.315 61.994 62.300 0.015 0.000 1.225 72 V CB -0.143 31.685 31.823 0.008 0.000 0.995 72 V HN 0.191 nan 8.190 nan 0.000 0.484 73 R N 1.877 122.386 120.500 0.014 0.000 2.694 73 R HA 0.294 4.633 4.340 -0.001 0.000 0.268 73 R C -0.138 176.171 176.300 0.016 0.000 1.061 73 R CA -0.200 55.908 56.100 0.012 0.000 1.133 73 R CB 0.221 30.528 30.300 0.011 0.000 1.020 73 R HN 0.225 nan 8.270 nan 0.000 0.475 74 K N 2.337 122.745 120.400 0.014 0.000 2.205 74 K HA 0.114 4.433 4.320 -0.001 0.000 0.279 74 K C 1.748 178.360 176.600 0.019 0.000 1.027 74 K CA -0.455 55.842 56.287 0.016 0.000 0.932 74 K CB 0.587 33.095 32.500 0.013 0.000 1.032 74 K HN 0.457 nan 8.250 nan 0.000 0.466 75 I N 2.388 122.972 120.570 0.023 0.000 2.151 75 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 75 I C 1.376 177.508 176.117 0.026 0.000 1.080 75 I CA 1.413 62.729 61.300 0.028 0.000 1.339 75 I CB -1.057 36.960 38.000 0.028 0.000 1.039 75 I HN 0.961 nan 8.210 nan 0.000 0.409 76 M N -0.531 119.082 119.600 0.022 0.000 2.925 76 M HA -0.179 4.300 4.480 -0.001 0.000 0.187 76 M C 0.310 176.623 176.300 0.022 0.000 0.634 76 M CA 1.803 57.115 55.300 0.020 0.000 0.714 76 M CB -1.500 31.110 32.600 0.015 0.000 2.568 76 M HN 0.600 nan 8.290 nan 0.000 0.281 98 N N 2.675 121.355 118.700 -0.034 0.000 2.499 98 N HA 0.117 4.856 4.740 -0.001 0.000 0.281 98 N C -0.385 175.107 175.510 -0.029 0.000 1.098 98 N CA 0.221 53.249 53.050 -0.036 0.000 0.979 98 N CB 1.330 39.787 38.487 -0.049 0.000 1.121 98 N HN 0.116 nan 8.380 nan 0.000 0.466 99 K N 0.602 120.988 120.400 -0.024 0.000 2.526 99 K HA 0.471 4.790 4.320 -0.001 0.000 0.256 99 K C -0.276 176.312 176.600 -0.020 0.000 1.035 99 K CA -0.734 55.541 56.287 -0.019 0.000 1.011 99 K CB 0.439 32.931 32.500 -0.013 0.000 1.343 99 K HN 0.128 nan 8.250 nan 0.000 0.510 100 V N 2.069 121.973 119.914 -0.016 0.000 2.326 100 V HA 0.075 4.194 4.120 -0.001 0.000 0.281 100 V C 0.207 176.294 176.094 -0.012 0.000 1.015 100 V CA -0.926 61.363 62.300 -0.018 0.000 0.823 100 V CB 1.058 32.870 31.823 -0.019 0.000 1.009 100 V HN 0.546 nan 8.190 nan 0.000 0.436 101 D N 2.801 123.194 120.400 -0.011 0.000 2.461 101 D HA -0.117 4.522 4.640 -0.001 0.000 0.231 101 D C 1.066 177.368 176.300 0.004 0.000 1.208 101 D CA 0.568 54.568 54.000 -0.001 0.000 0.879 101 D CB 1.087 41.887 40.800 0.002 0.000 1.220 101 D HN 0.818 nan 8.370 nan 0.000 0.480 102 E N 1.394 121.602 120.200 0.012 0.000 2.502 102 E HA -0.041 4.309 4.350 -0.001 0.000 0.194 102 E C 0.094 176.715 176.600 0.036 0.000 1.062 102 E CA 0.122 56.535 56.400 0.020 0.000 0.867 102 E CB 0.204 29.916 29.700 0.021 0.000 0.888 102 E HN 0.210 nan 8.360 nan 0.000 0.510 103 R N 0.875 121.396 120.500 0.034 0.000 2.537 103 R HA 0.070 4.409 4.340 -0.001 0.000 0.280 103 R C -0.003 176.339 176.300 0.069 0.000 1.058 103 R CA -0.068 56.066 56.100 0.056 0.000 1.057 103 R CB 0.334 30.660 30.300 0.044 0.000 0.973 103 R HN 0.254 nan 8.270 nan 0.000 0.438 104 H N 2.576 121.652 119.070 0.010 0.000 2.690 104 H HA 0.080 4.635 4.556 -0.002 0.000 0.314 104 H C 0.810 176.146 175.328 0.013 0.000 1.069 104 H CA 0.330 56.385 56.048 0.011 0.000 1.436 104 H CB 1.362 31.132 29.762 0.013 0.000 1.462 104 H HN 0.794 nan 8.280 nan 0.000 0.511 105 A N 5.195 127.931 122.820 -0.141 0.000 1.944 105 A HA -0.254 4.065 4.320 -0.001 0.000 0.222 105 A C 2.579 180.240 177.584 0.129 0.000 1.237 105 A CA 2.451 54.474 52.037 -0.022 0.000 0.668 105 A CB -1.041 17.901 19.000 -0.098 0.000 0.830 105 A HN 0.592 nan 8.150 nan 0.000 0.471 106 V N 0.564 120.680 119.914 0.338 0.000 2.324 106 V HA -0.313 3.806 4.120 -0.001 0.000 0.250 106 V C 2.397 178.575 176.094 0.140 0.000 1.060 106 V CA 2.313 64.757 62.300 0.239 0.000 1.042 106 V CB -0.942 31.017 31.823 0.227 0.000 0.650 106 V HN 0.610 nan 8.190 nan 0.000 0.450 107 N N -0.119 118.668 118.700 0.145 0.000 2.109 107 N HA -0.107 4.632 4.740 -0.001 0.000 0.188 107 N C 1.764 177.316 175.510 0.071 0.000 1.034 107 N CA 1.416 54.514 53.050 0.080 0.000 0.846 107 N CB -0.597 37.933 38.487 0.072 0.000 1.010 107 N HN 0.385 nan 8.380 nan 0.000 0.425 108 L N 2.119 123.387 121.223 0.075 0.000 1.997 108 L HA -0.152 4.187 4.340 -0.001 0.000 0.216 108 L C 2.001 178.896 176.870 0.042 0.000 1.074 108 L CA 1.518 56.388 54.840 0.050 0.000 0.763 108 L CB -0.894 41.186 42.059 0.036 0.000 0.890 108 L HN 0.148 nan 8.230 nan 0.000 0.434 109 I N -0.671 119.929 120.570 0.049 0.000 2.127 109 I HA -0.366 3.804 4.170 -0.001 0.000 0.241 109 I C 2.573 178.717 176.117 0.044 0.000 1.075 109 I CA 1.914 63.239 61.300 0.041 0.000 1.334 109 I CB -0.578 37.457 38.000 0.058 0.000 1.040 109 I HN 0.303 nan 8.210 nan 0.000 0.405 110 I N 0.964 121.566 120.570 0.055 0.000 2.118 110 I HA -0.345 3.824 4.170 -0.001 0.000 0.241 110 I C 2.271 178.416 176.117 0.047 0.000 1.070 110 I CA 1.791 63.121 61.300 0.049 0.000 1.327 110 I CB -0.969 37.056 38.000 0.042 0.000 1.034 110 I HN 0.298 nan 8.210 nan 0.000 0.405 111 D N 1.141 121.570 120.400 0.048 0.000 2.092 111 D HA -0.167 4.472 4.640 -0.001 0.000 0.193 111 D C 2.407 178.753 176.300 0.078 0.000 0.994 111 D CA 1.107 55.142 54.000 0.059 0.000 0.828 111 D CB -0.490 40.344 40.800 0.057 0.000 0.963 111 D HN 0.246 nan 8.370 nan 0.000 0.450 112 L N 0.622 121.874 121.223 0.049 0.000 2.013 112 L HA -0.172 4.167 4.340 -0.001 0.000 0.212 112 L C 2.577 179.449 176.870 0.002 0.000 1.073 112 L CA 1.102 55.944 54.840 0.005 0.000 0.753 112 L CB -0.655 41.357 42.059 -0.080 0.000 0.890 112 L HN 0.007 nan 8.230 nan 0.000 0.432 113 V N -0.714 119.205 119.914 0.009 0.000 2.427 113 V HA -0.278 3.841 4.120 -0.001 0.000 0.248 113 V C 2.511 178.653 176.094 0.079 0.000 1.051 113 V CA 1.302 63.621 62.300 0.032 0.000 1.048 113 V CB -0.289 31.563 31.823 0.048 0.000 0.666 113 V HN 0.342 nan 8.190 nan 0.000 0.456 114 M N 0.507 120.155 119.600 0.079 0.000 2.200 114 M HA -0.035 4.444 4.480 -0.001 0.000 0.265 114 M C 2.337 178.698 176.300 0.102 0.000 1.066 114 M CA 1.764 57.107 55.300 0.072 0.000 1.127 114 M CB -1.403 31.227 32.600 0.050 0.000 1.379 114 M HN 0.562 nan 8.290 nan 0.000 0.420 115 S N -0.997 114.801 115.700 0.163 0.000 2.603 115 S HA -0.007 4.462 4.470 -0.001 0.000 0.229 115 S C 0.213 174.923 174.600 0.183 0.000 0.972 115 S CA 0.158 58.469 58.200 0.185 0.000 0.935 115 S CB -0.605 62.703 63.200 0.180 0.000 0.769 115 S HN 0.457 nan 8.310 nan 0.000 0.536 116 H N 0.681 119.758 119.070 0.013 0.000 2.941 116 H HA 0.506 5.061 4.556 -0.001 0.000 0.344 116 H C -0.440 174.895 175.328 0.012 0.000 1.235 116 H CA -1.148 54.907 56.048 0.012 0.000 1.149 116 H CB 0.690 30.459 29.762 0.013 0.000 1.885 116 H HN 0.230 nan 8.280 nan 0.000 0.558 117 E N 1.432 121.715 120.200 0.138 0.000 2.408 117 E HA 0.176 4.525 4.350 -0.001 0.000 0.259 117 E C -2.288 174.360 176.600 0.080 0.000 1.110 117 E CA -1.611 54.835 56.400 0.077 0.000 0.929 117 E CB -0.164 29.566 29.700 0.050 0.000 0.971 117 E HN 0.251 nan 8.360 nan 0.000 0.438 118 P HA -0.077 nan 4.420 nan 0.000 0.267 118 P C -0.626 176.700 177.300 0.042 0.000 1.200 118 P CA 0.228 63.355 63.100 0.044 0.000 0.772 118 P CB 0.350 32.067 31.700 0.030 0.000 0.855 119 K N 0.141 120.566 120.400 0.042 0.000 3.278 119 K HA -0.176 4.144 4.320 -0.001 0.000 0.270 119 K C 0.646 177.264 176.600 0.030 0.000 0.955 119 K CA 1.427 57.736 56.287 0.037 0.000 0.723 119 K CB -2.496 30.022 32.500 0.030 0.000 1.382 119 K HN 0.760 nan 8.250 nan 0.000 0.461 120 T N -3.850 110.724 114.554 0.032 0.000 2.966 120 T HA 0.248 4.597 4.350 -0.001 0.000 0.254 120 T C 0.925 175.628 174.700 0.006 0.000 0.961 120 T CA -0.387 61.729 62.100 0.027 0.000 0.915 120 T CB 0.436 69.335 68.868 0.052 0.000 1.186 120 T HN 0.189 nan 8.240 nan 0.000 0.505 121 I N 2.041 122.607 120.570 -0.007 0.000 2.676 121 I HA 0.527 4.696 4.170 -0.001 0.000 0.309 121 I C -0.432 175.670 176.117 -0.026 0.000 0.990 121 I CA -0.623 60.656 61.300 -0.034 0.000 1.168 121 I CB 1.662 39.620 38.000 -0.071 0.000 1.343 121 I HN 0.060 nan 8.210 nan 0.000 0.482 122 T N 5.099 119.629 114.554 -0.040 0.000 2.848 122 T HA 0.517 4.866 4.350 -0.001 0.000 0.285 122 T C -0.249 174.408 174.700 -0.071 0.000 0.995 122 T CA -0.477 61.592 62.100 -0.052 0.000 0.970 122 T CB 1.672 70.519 68.868 -0.036 0.000 0.976 122 T HN 0.267 nan 8.240 nan 0.000 0.441 123 L N 3.198 124.350 121.223 -0.118 0.000 2.292 123 L HA 0.571 4.910 4.340 -0.001 0.000 0.284 123 L C -0.411 176.384 176.870 -0.126 0.000 1.065 123 L CA -0.749 54.013 54.840 -0.129 0.000 0.806 123 L CB 1.370 43.306 42.059 -0.205 0.000 1.175 123 L HN 0.369 nan 8.230 nan 0.000 0.431 124 V N 4.838 124.704 119.914 -0.082 0.000 2.313 124 V HA 0.238 4.357 4.120 -0.001 0.000 0.262 124 V C -2.283 173.783 176.094 -0.047 0.000 1.011 124 V CA -1.415 60.849 62.300 -0.060 0.000 0.858 124 V CB 1.095 32.901 31.823 -0.029 0.000 1.104 124 V HN 0.586 nan 8.190 nan 0.000 0.456 125 P HA 0.345 nan 4.420 nan 0.000 0.280 125 P C 0.554 177.844 177.300 -0.016 0.000 1.244 125 P CA 0.027 63.106 63.100 -0.035 0.000 0.784 125 P CB 0.987 32.661 31.700 -0.042 0.000 0.913 126 T N -1.066 113.487 114.554 -0.002 0.000 3.262 126 T HA 0.487 4.836 4.350 -0.001 0.000 0.300 126 T C 0.594 175.300 174.700 0.010 0.000 0.959 126 T CA -0.272 61.832 62.100 0.007 0.000 0.936 126 T CB -0.182 68.692 68.868 0.010 0.000 1.169 126 T HN 0.416 nan 8.240 nan 0.000 0.532 127 G N 0.317 109.125 108.800 0.013 0.000 3.257 127 G HA2 0.708 4.667 3.960 -0.001 0.000 0.205 127 G HA3 0.708 4.667 3.960 -0.001 0.000 0.205 127 G C 0.117 175.039 174.900 0.036 0.000 1.234 127 G CA -0.357 44.753 45.100 0.017 0.000 0.918 127 G HN 0.445 nan 8.290 nan 0.000 0.602 128 G N -1.246 107.579 108.800 0.043 0.000 2.606 128 G HA2 0.425 4.384 3.960 -0.001 0.000 0.252 128 G HA3 0.425 4.384 3.960 -0.001 0.000 0.252 128 G C 0.419 175.357 174.900 0.063 0.000 1.206 128 G CA -0.653 44.482 45.100 0.059 0.000 0.861 128 G HN 0.444 nan 8.290 nan 0.000 0.561 129 L N 0.844 122.119 121.223 0.086 0.000 2.645 129 L HA 0.090 4.429 4.340 -0.001 0.000 0.234 129 L C 2.728 179.657 176.870 0.099 0.000 1.165 129 L CA 0.542 55.440 54.840 0.097 0.000 0.944 129 L CB -0.213 41.931 42.059 0.141 0.000 1.149 129 L HN 0.756 nan 8.230 nan 0.000 0.446 130 T N -1.174 113.431 114.554 0.084 0.000 2.821 130 T HA -0.140 4.209 4.350 -0.001 0.000 0.267 130 T C 1.740 176.499 174.700 0.098 0.000 1.046 130 T CA 1.636 63.789 62.100 0.088 0.000 1.139 130 T CB -0.013 68.900 68.868 0.075 0.000 0.871 130 T HN 0.336 nan 8.240 nan 0.000 0.454 131 N N 1.498 120.253 118.700 0.092 0.000 2.142 131 N HA 0.002 4.742 4.740 -0.001 0.000 0.186 131 N C 1.962 177.541 175.510 0.115 0.000 1.023 131 N CA 1.216 54.331 53.050 0.109 0.000 0.852 131 N CB -0.375 38.159 38.487 0.078 0.000 0.998 131 N HN 0.379 nan 8.380 nan 0.000 0.424 132 I N 1.522 122.158 120.570 0.110 0.000 2.163 132 I HA -0.178 3.992 4.170 -0.001 0.000 0.243 132 I C 2.348 178.585 176.117 0.200 0.000 1.085 132 I CA 0.772 62.161 61.300 0.149 0.000 1.347 132 I CB -1.604 36.461 38.000 0.107 0.000 1.044 132 I HN 0.009 nan 8.210 nan 0.000 0.408 133 A N 0.735 123.657 122.820 0.170 0.000 1.858 133 A HA -0.195 4.124 4.320 -0.001 0.000 0.216 133 A C 2.378 180.032 177.584 0.116 0.000 1.190 133 A CA 1.511 53.645 52.037 0.162 0.000 0.617 133 A CB -0.552 18.534 19.000 0.144 0.000 0.827 133 A HN 0.251 nan 8.150 nan 0.000 0.443 134 M N -0.383 119.278 119.600 0.100 0.000 2.082 134 M HA -0.214 4.265 4.480 -0.001 0.000 0.258 134 M C 2.525 178.863 176.300 0.063 0.000 1.069 134 M CA 1.857 57.200 55.300 0.070 0.000 1.102 134 M CB -1.325 31.321 32.600 0.075 0.000 1.336 134 M HN 0.513 nan 8.290 nan 0.000 0.404 135 A N -0.233 122.641 122.820 0.091 0.000 1.933 135 A HA -0.012 4.308 4.320 -0.001 0.000 0.218 135 A C 2.339 179.960 177.584 0.062 0.000 1.175 135 A CA 2.005 54.093 52.037 0.084 0.000 0.628 135 A CB -0.820 18.249 19.000 0.114 0.000 0.814 135 A HN 0.530 nan 8.150 nan 0.000 0.444 136 A N -0.811 122.053 122.820 0.074 0.000 1.969 136 A HA -0.090 4.229 4.320 -0.001 0.000 0.218 136 A C 2.237 179.787 177.584 -0.058 0.000 1.169 136 A CA 1.220 53.239 52.037 -0.030 0.000 0.635 136 A CB -0.320 18.646 19.000 -0.058 0.000 0.810 136 A HN 0.402 nan 8.150 nan 0.000 0.445 137 R N -0.808 119.685 120.500 -0.012 0.000 2.100 137 R HA 0.149 4.488 4.340 -0.001 0.000 0.220 137 R C 2.063 178.351 176.300 -0.020 0.000 1.091 137 R CA 0.467 56.556 56.100 -0.019 0.000 0.986 137 R CB -0.751 29.550 30.300 0.002 0.000 0.888 137 R HN 0.512 nan 8.270 nan 0.000 0.444 138 L N 0.732 121.949 121.223 -0.009 0.000 2.027 138 L HA -0.107 4.233 4.340 -0.001 0.000 0.206 138 L C 0.219 177.079 176.870 -0.017 0.000 1.074 138 L CA 1.352 56.185 54.840 -0.012 0.000 0.745 138 L CB -0.031 42.023 42.059 -0.007 0.000 0.898 138 L HN 0.070 nan 8.230 nan 0.000 0.433 139 E N -0.987 119.203 120.200 -0.016 0.000 2.235 139 E HA 0.233 4.583 4.350 -0.001 0.000 0.252 139 E C -2.097 174.474 176.600 -0.049 0.000 0.886 139 E CA -2.374 54.012 56.400 -0.023 0.000 0.767 139 E CB 1.549 31.246 29.700 -0.005 0.000 1.205 139 E HN -0.087 nan 8.360 nan 0.000 0.421 140 P HA 0.074 nan 4.420 nan 0.000 0.227 140 P C 0.702 177.927 177.300 -0.125 0.000 1.161 140 P CA 0.452 63.483 63.100 -0.115 0.000 0.788 140 P CB 0.343 31.983 31.700 -0.100 0.000 0.822 141 R N 0.174 120.628 120.500 -0.077 0.000 2.249 141 R HA -0.087 4.252 4.340 -0.001 0.000 0.230 141 R C 2.263 178.529 176.300 -0.056 0.000 1.121 141 R CA 0.924 56.988 56.100 -0.061 0.000 0.997 141 R CB -0.977 29.304 30.300 -0.032 0.000 0.867 141 R HN 0.336 nan 8.270 nan 0.000 0.465 142 I N -1.839 118.697 120.570 -0.056 0.000 2.500 142 I HA -0.107 4.062 4.170 -0.001 0.000 0.252 142 I C 2.041 178.144 176.117 -0.023 0.000 1.142 142 I CA 0.988 62.286 61.300 -0.004 0.000 1.451 142 I CB -0.351 37.682 38.000 0.054 0.000 1.093 142 I HN -0.008 nan 8.210 nan 0.000 0.430 143 V N 2.051 121.803 119.914 -0.271 0.000 2.594 143 V HA -0.219 3.901 4.120 -0.001 0.000 0.253 143 V C 1.722 177.740 176.094 -0.127 0.000 1.069 143 V CA 2.307 64.300 62.300 -0.510 0.000 1.082 143 V CB -1.029 30.148 31.823 -1.078 0.000 0.680 143 V HN 0.642 nan 8.190 nan 0.000 0.469 144 D N -0.688 119.652 120.400 -0.099 0.000 2.360 144 D HA 0.011 4.651 4.640 -0.001 0.000 0.210 144 D C 2.036 178.348 176.300 0.020 0.000 1.047 144 D CA 0.085 54.065 54.000 -0.033 0.000 0.854 144 D CB 0.005 40.771 40.800 -0.058 0.000 0.936 144 D HN 0.493 nan 8.370 nan 0.000 0.514 145 R N 0.775 121.298 120.500 0.038 0.000 2.090 145 R HA 0.116 4.455 4.340 -0.001 0.000 0.219 145 R C 0.871 177.221 176.300 0.083 0.000 1.100 145 R CA 0.012 56.144 56.100 0.053 0.000 0.991 145 R CB 0.035 30.365 30.300 0.051 0.000 0.893 145 R HN -0.028 nan 8.270 nan 0.000 0.443 146 V N 3.146 123.144 119.914 0.139 0.000 2.752 146 V HA -0.192 3.927 4.120 -0.001 0.000 0.306 146 V C 1.654 177.818 176.094 0.117 0.000 1.099 146 V CA 0.684 63.080 62.300 0.160 0.000 1.240 146 V CB 0.871 32.885 31.823 0.318 0.000 0.887 146 V HN 0.303 nan 8.190 nan 0.000 0.499 147 K N 4.010 124.446 120.400 0.059 0.000 2.001 147 K HA -0.066 4.254 4.320 -0.001 0.000 0.208 147 K C 0.606 177.228 176.600 0.038 0.000 1.048 147 K CA 1.814 58.124 56.287 0.039 0.000 0.932 147 K CB 0.165 32.673 32.500 0.014 0.000 0.715 147 K HN 0.935 nan 8.250 nan 0.000 0.437 148 E N -1.713 118.485 120.200 -0.004 0.000 2.403 148 E HA 0.285 4.634 4.350 -0.001 0.000 0.280 148 E C -1.667 174.823 176.600 -0.183 0.000 1.101 148 E CA -1.120 55.248 56.400 -0.054 0.000 0.856 148 E CB 1.354 31.045 29.700 -0.015 0.000 1.303 148 E HN -0.105 nan 8.360 nan 0.000 0.441 149 V N 1.358 121.074 119.914 -0.330 0.000 2.513 149 V HA 0.591 4.710 4.120 -0.001 0.000 0.299 149 V C -0.655 175.263 176.094 -0.294 0.000 1.035 149 V CA -0.782 61.255 62.300 -0.437 0.000 0.889 149 V CB 1.518 32.845 31.823 -0.826 0.000 0.988 149 V HN 0.560 nan 8.190 nan 0.000 0.440 150 V N 6.129 125.917 119.914 -0.211 0.000 2.398 150 V HA 0.476 4.595 4.120 -0.001 0.000 0.282 150 V C -0.464 175.549 176.094 -0.136 0.000 1.014 150 V CA -0.403 61.809 62.300 -0.146 0.000 0.838 150 V CB 1.301 33.121 31.823 -0.006 0.000 1.018 150 V HN 0.798 nan 8.190 nan 0.000 0.432 151 L N 2.151 123.282 121.223 -0.154 0.000 2.322 151 L HA 0.809 5.148 4.340 -0.001 0.000 0.269 151 L C -0.334 176.504 176.870 -0.053 0.000 1.012 151 L CA -0.641 54.144 54.840 -0.092 0.000 0.815 151 L CB 1.704 43.714 42.059 -0.082 0.000 1.295 151 L HN 0.509 nan 8.230 nan 0.000 0.438 152 M N 2.537 122.126 119.600 -0.018 0.000 2.208 152 M HA 0.691 5.170 4.480 -0.001 0.000 0.352 152 M C -0.579 175.733 176.300 0.020 0.000 1.137 152 M CA -0.044 55.256 55.300 -0.000 0.000 1.091 152 M CB -0.332 32.278 32.600 0.016 0.000 1.309 152 M HN 1.019 nan 8.290 nan 0.000 0.408 153 G N 1.655 110.478 108.800 0.038 0.000 2.646 153 G HA2 0.666 4.626 3.960 -0.001 0.000 0.291 153 G HA3 0.666 4.626 3.960 -0.001 0.000 0.291 153 G C -0.510 174.431 174.900 0.068 0.000 1.445 153 G CA 0.146 45.283 45.100 0.061 0.000 0.814 153 G HN 1.048 nan 8.290 nan 0.000 0.495 154 G N -1.323 107.499 108.800 0.036 0.000 2.741 154 G HA2 0.554 4.513 3.960 -0.001 0.000 0.222 154 G HA3 0.554 4.513 3.960 -0.001 0.000 0.222 154 G C 0.268 175.169 174.900 0.002 0.000 1.364 154 G CA 0.379 45.486 45.100 0.013 0.000 0.866 154 G HN 2.563 nan 8.290 nan 0.000 0.555 155 G N -2.435 106.367 108.800 0.004 0.000 2.717 155 G HA2 0.663 4.622 3.960 -0.001 0.000 0.300 155 G HA3 0.663 4.622 3.960 -0.001 0.000 0.300 155 G C -0.155 174.755 174.900 0.018 0.000 1.424 155 G CA 0.353 45.430 45.100 -0.039 0.000 1.033 155 G HN 2.000 nan 8.290 nan 0.000 0.577 156 Y N -0.757 119.558 120.300 0.025 0.000 2.503 156 Y HA 0.396 4.945 4.550 -0.002 0.000 0.278 156 Y C 1.218 177.187 175.900 0.116 0.000 1.111 156 Y CA 0.699 58.821 58.100 0.037 0.000 1.270 156 Y CB 0.396 38.885 38.460 0.048 0.000 1.063 156 Y HN 0.578 nan 8.280 nan 0.000 0.548 157 H N -0.237 118.706 119.070 -0.212 0.000 2.885 157 H HA 0.391 4.946 4.556 -0.001 0.000 0.237 157 H C -0.955 174.260 175.328 -0.188 0.000 1.229 157 H CA -0.344 55.628 56.048 -0.127 0.000 0.947 157 H CB 0.801 30.476 29.762 -0.145 0.000 2.223 157 H HN 0.301 nan 8.280 nan 0.000 0.628 158 E N 0.252 120.410 120.200 -0.071 0.000 2.375 158 E HA 0.542 4.892 4.350 -0.001 0.000 0.280 158 E C -1.163 175.386 176.600 -0.085 0.000 0.972 158 E CA -0.901 55.434 56.400 -0.109 0.000 0.782 158 E CB 2.302 31.893 29.700 -0.183 0.000 1.229 158 E HN 0.305 nan 8.360 nan 0.000 0.439 159 G N 1.226 109.975 108.800 -0.085 0.000 2.672 159 G HA2 0.432 4.391 3.960 -0.001 0.000 0.292 159 G HA3 0.432 4.391 3.960 -0.001 0.000 0.292 159 G C -0.522 174.327 174.900 -0.085 0.000 1.375 159 G CA -0.422 44.624 45.100 -0.091 0.000 0.890 159 G HN 0.586 nan 8.290 nan 0.000 0.476 160 N N -1.114 117.512 118.700 -0.123 0.000 2.802 160 N HA 0.122 4.861 4.740 -0.001 0.000 0.254 160 N C 1.994 177.291 175.510 -0.355 0.000 1.012 160 N CA 1.237 54.248 53.050 -0.065 0.000 0.986 160 N CB -0.303 38.310 38.487 0.210 0.000 1.711 160 N HN 0.600 nan 8.380 nan 0.000 0.581 161 A N 0.205 122.481 122.820 -0.907 0.000 2.024 161 A HA 0.128 4.447 4.320 -0.001 0.000 0.220 161 A C 1.145 178.462 177.584 -0.444 0.000 1.164 161 A CA 1.952 53.315 52.037 -1.123 0.000 0.643 161 A CB -0.925 17.415 19.000 -1.100 0.000 0.806 161 A HN 0.785 nan 8.150 nan 0.000 0.451 162 T N -6.192 108.186 114.554 -0.293 0.000 2.671 162 T HA 0.395 4.744 4.350 -0.001 0.000 0.300 162 T C 0.911 175.537 174.700 -0.122 0.000 1.238 162 T CA 0.306 62.306 62.100 -0.167 0.000 1.020 162 T CB 0.676 69.461 68.868 -0.138 0.000 1.503 162 T HN 0.338 nan 8.240 nan 0.000 0.497 163 S N 0.364 116.013 115.700 -0.086 0.000 2.387 163 S HA -0.144 4.325 4.470 -0.001 0.000 0.230 163 S C 1.968 176.527 174.600 -0.067 0.000 1.035 163 S CA 1.754 59.914 58.200 -0.068 0.000 1.014 163 S CB -1.059 62.110 63.200 -0.052 0.000 0.836 163 S HN 1.450 nan 8.310 nan 0.000 0.466 164 V N -2.692 117.180 119.914 -0.069 0.000 3.484 164 V HA 0.695 4.814 4.120 -0.001 0.000 0.252 164 V C 0.691 176.743 176.094 -0.070 0.000 1.282 164 V CA -0.069 62.198 62.300 -0.054 0.000 1.104 164 V CB -0.491 31.313 31.823 -0.032 0.000 0.868 164 V HN 0.551 nan 8.190 nan 0.000 0.457 165 A N 0.906 123.664 122.820 -0.103 0.000 2.282 165 A HA 0.719 5.038 4.320 -0.001 0.000 0.319 165 A C -0.184 177.299 177.584 -0.168 0.000 1.121 165 A CA -0.426 51.538 52.037 -0.120 0.000 0.836 165 A CB 1.001 19.929 19.000 -0.120 0.000 1.146 165 A HN 0.416 nan 8.150 nan 0.000 0.494 166 E N 0.867 120.986 120.200 -0.134 0.000 2.207 166 E HA 0.375 4.724 4.350 -0.001 0.000 0.270 166 E C -0.134 176.416 176.600 -0.083 0.000 0.927 166 E CA -0.606 55.725 56.400 -0.115 0.000 0.799 166 E CB 0.824 30.504 29.700 -0.034 0.000 1.172 166 E HN 0.500 nan 8.360 nan 0.000 0.404 167 F N 2.498 122.425 119.950 -0.039 0.000 2.085 167 F HA -0.311 4.216 4.527 -0.001 0.000 0.299 167 F C 1.988 177.775 175.800 -0.022 0.000 1.096 167 F CA 1.720 59.703 58.000 -0.027 0.000 1.227 167 F CB -0.404 38.580 39.000 -0.027 0.000 0.983 167 F HN 0.466 nan 8.300 nan 0.000 0.482 168 N N 0.095 118.890 118.700 0.158 0.000 2.223 168 N HA -0.129 4.610 4.740 -0.001 0.000 0.185 168 N C 1.830 177.379 175.510 0.065 0.000 1.016 168 N CA 1.076 54.182 53.050 0.093 0.000 0.863 168 N CB -0.256 38.274 38.487 0.072 0.000 0.983 168 N HN 0.165 nan 8.380 nan 0.000 0.429 169 I N 0.519 121.110 120.570 0.034 0.000 2.277 169 I HA -0.054 4.115 4.170 -0.001 0.000 0.243 169 I C 2.270 178.383 176.117 -0.006 0.000 1.094 169 I CA 0.478 61.779 61.300 0.003 0.000 1.393 169 I CB -1.066 36.901 38.000 -0.055 0.000 1.078 169 I HN 0.043 nan 8.210 nan 0.000 0.417 170 I N 0.588 121.143 120.570 -0.024 0.000 2.614 170 I HA -0.257 3.912 4.170 -0.001 0.000 0.258 170 I C 2.396 178.512 176.117 -0.002 0.000 1.189 170 I CA 0.873 62.152 61.300 -0.034 0.000 1.462 170 I CB 0.140 38.092 38.000 -0.080 0.000 1.092 170 I HN 0.042 nan 8.210 nan 0.000 0.442 171 I N 0.555 121.141 120.570 0.027 0.000 2.226 171 I HA -0.202 3.967 4.170 -0.001 0.000 0.245 171 I C 0.602 176.742 176.117 0.037 0.000 1.100 171 I CA 1.640 62.966 61.300 0.044 0.000 1.374 171 I CB -0.180 37.860 38.000 0.066 0.000 1.057 171 I HN 0.190 nan 8.210 nan 0.000 0.413 172 D N -1.214 119.210 120.400 0.040 0.000 2.517 172 D HA 0.228 4.867 4.640 -0.001 0.000 0.263 172 D C -2.045 174.284 176.300 0.048 0.000 1.233 172 D CA -1.699 52.328 54.000 0.045 0.000 0.849 172 D CB 1.094 41.929 40.800 0.057 0.000 1.261 172 D HN -0.018 nan 8.370 nan 0.000 0.516 173 P HA -0.109 nan 4.420 nan 0.000 0.215 173 P C 1.050 178.390 177.300 0.066 0.000 1.153 173 P CA 1.069 64.184 63.100 0.026 0.000 0.853 173 P CB 0.732 32.432 31.700 0.000 0.000 0.788 174 E N -0.149 120.086 120.200 0.058 0.000 2.038 174 E HA -0.162 4.187 4.350 -0.001 0.000 0.195 174 E C 2.192 178.875 176.600 0.139 0.000 1.000 174 E CA 1.658 58.106 56.400 0.080 0.000 0.803 174 E CB -1.372 28.355 29.700 0.044 0.000 0.750 174 E HN 0.095 nan 8.360 nan 0.000 0.448 175 A N 1.149 124.038 122.820 0.116 0.000 1.873 175 A HA -0.244 4.075 4.320 -0.001 0.000 0.218 175 A C 2.424 180.122 177.584 0.191 0.000 1.193 175 A CA 2.610 54.730 52.037 0.139 0.000 0.629 175 A CB -1.227 17.841 19.000 0.114 0.000 0.826 175 A HN 0.310 nan 8.150 nan 0.000 0.447 176 A N -1.544 121.383 122.820 0.178 0.000 1.883 176 A HA -0.270 4.049 4.320 -0.001 0.000 0.217 176 A C 2.150 179.900 177.584 0.277 0.000 1.186 176 A CA 1.937 54.114 52.037 0.234 0.000 0.624 176 A CB -1.077 17.973 19.000 0.084 0.000 0.822 176 A HN 0.773 nan 8.150 nan 0.000 0.444 177 H N 0.132 119.263 119.070 0.102 0.000 2.319 177 H HA -0.145 4.410 4.556 -0.001 0.000 0.297 177 H C 2.004 177.445 175.328 0.189 0.000 1.097 177 H CA 2.166 58.275 56.048 0.102 0.000 1.285 177 H CB -0.206 29.584 29.762 0.047 0.000 1.368 177 H HN 0.472 nan 8.280 nan 0.000 0.495 178 I N 0.124 120.859 120.570 0.276 0.000 2.052 178 I HA -0.317 3.853 4.170 -0.001 0.000 0.235 178 I C 2.775 179.036 176.117 0.240 0.000 1.046 178 I CA 1.490 62.921 61.300 0.218 0.000 1.308 178 I CB -0.649 37.464 38.000 0.189 0.000 1.031 178 I HN 0.103 nan 8.210 nan 0.000 0.395 179 V N 0.836 120.947 119.914 0.328 0.000 2.250 179 V HA -0.334 3.785 4.120 -0.001 0.000 0.250 179 V C 2.294 178.636 176.094 0.412 0.000 1.060 179 V CA 2.225 64.786 62.300 0.434 0.000 1.030 179 V CB -0.879 31.123 31.823 0.298 0.000 0.643 179 V HN 0.239 nan 8.190 nan 0.000 0.445 180 F N 0.562 120.602 119.950 0.150 0.000 2.451 180 F HA -0.075 4.452 4.527 -0.001 0.000 0.299 180 F C 1.973 177.863 175.800 0.151 0.000 1.101 180 F CA 1.531 59.599 58.000 0.114 0.000 1.436 180 F CB -0.761 38.226 39.000 -0.022 0.000 1.074 180 F HN 0.259 nan 8.300 nan 0.000 0.553 181 N N -1.190 117.637 118.700 0.211 0.000 2.299 181 N HA -0.024 4.715 4.740 -0.001 0.000 0.187 181 N C 0.494 176.024 175.510 0.035 0.000 1.099 181 N CA 0.000 53.106 53.050 0.093 0.000 0.867 181 N CB 0.194 38.632 38.487 -0.082 0.000 0.974 181 N HN -0.048 nan 8.380 nan 0.000 0.477 182 E N 0.020 120.248 120.200 0.047 0.000 2.391 182 E HA 0.083 4.432 4.350 -0.001 0.000 0.255 182 E C 0.890 177.264 176.600 -0.375 0.000 1.187 182 E CA 0.082 56.325 56.400 -0.262 0.000 0.941 182 E CB 0.751 30.053 29.700 -0.663 0.000 1.010 182 E HN 0.190 nan 8.360 nan 0.000 0.458 183 S N -0.083 115.325 115.700 -0.487 0.000 2.496 183 S HA -0.037 4.432 4.470 -0.001 0.000 0.224 183 S C 0.665 175.099 174.600 -0.278 0.000 0.996 183 S CA -0.062 57.847 58.200 -0.485 0.000 0.927 183 S CB -0.464 62.554 63.200 -0.304 0.000 0.774 183 S HN 0.469 nan 8.310 nan 0.000 0.524 184 W N 2.332 123.495 121.300 -0.228 0.000 2.073 184 W HA 0.411 5.070 4.660 -0.002 0.000 0.358 184 W C 0.046 176.584 176.519 0.032 0.000 1.321 184 W CA -1.493 55.796 57.345 -0.094 0.000 1.317 184 W CB -0.262 29.160 29.460 -0.064 0.000 1.226 184 W HN -0.057 nan 8.180 nan 0.000 0.622 185 Q N 0.983 120.929 119.800 0.244 0.000 2.307 185 Q HA 0.347 4.686 4.340 -0.001 0.000 0.259 185 Q C -0.615 175.338 176.000 -0.079 0.000 0.998 185 Q CA -0.432 55.439 55.803 0.113 0.000 0.923 185 Q CB 1.294 30.066 28.738 0.056 0.000 1.196 185 Q HN 0.384 nan 8.270 nan 0.000 0.416 186 V N 2.664 122.504 119.914 -0.122 0.000 2.513 186 V HA 0.450 4.569 4.120 -0.001 0.000 0.299 186 V C 0.040 175.964 176.094 -0.285 0.000 1.035 186 V CA -0.595 61.508 62.300 -0.329 0.000 0.889 186 V CB 2.039 33.553 31.823 -0.516 0.000 0.988 186 V HN 0.669 nan 8.190 nan 0.000 0.440 187 T N 5.726 120.105 114.554 -0.291 0.000 2.833 187 T HA 0.426 4.775 4.350 -0.001 0.000 0.297 187 T C -0.321 174.219 174.700 -0.267 0.000 1.015 187 T CA -0.237 61.690 62.100 -0.289 0.000 0.963 187 T CB 1.023 69.663 68.868 -0.381 0.000 0.955 187 T HN 0.634 nan 8.240 nan 0.000 0.449 188 M N 4.637 124.127 119.600 -0.183 0.000 2.094 188 M HA 0.343 4.822 4.480 -0.001 0.000 0.348 188 M C -0.905 175.355 176.300 -0.067 0.000 1.267 188 M CA -0.514 54.748 55.300 -0.062 0.000 1.125 188 M CB 0.228 32.888 32.600 0.101 0.000 1.527 188 M HN 0.290 nan 8.290 nan 0.000 0.447 189 V N 6.246 126.111 119.914 -0.081 0.000 2.221 189 V HA 0.354 4.474 4.120 -0.001 0.000 0.258 189 V C 0.914 177.000 176.094 -0.013 0.000 1.179 189 V CA -0.430 61.824 62.300 -0.076 0.000 1.022 189 V CB -0.426 31.334 31.823 -0.106 0.000 1.228 189 V HN 0.978 nan 8.190 nan 0.000 0.487 190 G N 1.971 110.786 108.800 0.024 0.000 2.535 190 G HA2 0.455 4.414 3.960 -0.001 0.000 0.303 190 G HA3 0.455 4.414 3.960 -0.001 0.000 0.303 190 G C 0.889 175.799 174.900 0.017 0.000 1.237 190 G CA -0.757 44.361 45.100 0.030 0.000 0.986 190 G HN 0.474 nan 8.290 nan 0.000 0.494 191 L N -0.461 120.757 121.223 -0.008 0.000 2.129 191 L HA -0.161 4.178 4.340 -0.001 0.000 0.212 191 L C 2.455 179.413 176.870 0.146 0.000 1.087 191 L CA 1.729 56.582 54.840 0.022 0.000 0.757 191 L CB -0.480 41.554 42.059 -0.042 0.000 0.896 191 L HN 0.566 nan 8.230 nan 0.000 0.434 192 D N -0.198 120.212 120.400 0.016 0.000 2.123 192 D HA -0.225 4.414 4.640 -0.001 0.000 0.196 192 D C 2.084 178.475 176.300 0.152 0.000 0.992 192 D CA 0.895 54.919 54.000 0.040 0.000 0.833 192 D CB -0.001 40.552 40.800 -0.412 0.000 0.954 192 D HN 0.142 nan 8.370 nan 0.000 0.455 193 L N 1.000 122.258 121.223 0.059 0.000 2.056 193 L HA -0.073 4.266 4.340 -0.001 0.000 0.202 193 L C 2.164 178.987 176.870 -0.078 0.000 1.086 193 L CA 2.211 57.034 54.840 -0.028 0.000 0.758 193 L CB -1.581 40.462 42.059 -0.027 0.000 0.912 193 L HN 0.212 nan 8.230 nan 0.000 0.446 194 T N -1.609 112.944 114.554 -0.002 0.000 2.836 194 T HA -0.282 4.067 4.350 -0.001 0.000 0.268 194 T C 1.701 176.488 174.700 0.145 0.000 1.080 194 T CA 1.670 63.809 62.100 0.065 0.000 1.128 194 T CB -1.180 67.835 68.868 0.245 0.000 0.839 194 T HN 0.726 nan 8.240 nan 0.000 0.507 195 H N 0.509 119.640 119.070 0.101 0.000 2.547 195 H HA 0.208 4.763 4.556 -0.001 0.000 0.266 195 H C 1.567 176.951 175.328 0.095 0.000 0.988 195 H CA 0.474 56.596 56.048 0.122 0.000 1.147 195 H CB -0.210 29.606 29.762 0.090 0.000 1.365 195 H HN 0.520 nan 8.280 nan 0.000 0.589 196 Q N 0.818 120.430 119.800 -0.314 0.000 2.250 196 Q HA 0.223 4.562 4.340 -0.001 0.000 0.200 196 Q C 1.340 177.398 176.000 0.097 0.000 0.941 196 Q CA 0.486 56.192 55.803 -0.163 0.000 0.872 196 Q CB 0.379 29.009 28.738 -0.179 0.000 0.965 196 Q HN 0.469 nan 8.270 nan 0.000 0.480 197 A N 1.861 124.651 122.820 -0.051 0.000 3.110 197 A HA 0.098 4.417 4.320 -0.001 0.000 0.265 197 A C -0.039 177.733 177.584 0.314 0.000 1.962 197 A CA 0.239 52.223 52.037 -0.089 0.000 1.493 197 A CB -1.103 17.569 19.000 -0.547 0.000 0.941 197 A HN 0.240 nan 8.150 nan 0.000 0.610 198 L N 0.670 122.267 121.223 0.623 0.000 2.397 198 L HA 0.360 4.699 4.340 -0.001 0.000 0.271 198 L C 0.906 178.137 176.870 0.600 0.000 1.148 198 L CA -0.355 54.832 54.840 0.577 0.000 0.825 198 L CB 1.329 43.672 42.059 0.474 0.000 1.117 198 L HN 0.503 nan 8.230 nan 0.000 0.456 199 A N 2.067 125.067 122.820 0.300 0.000 2.910 199 A HA 0.422 4.741 4.320 -0.001 0.000 0.316 199 A C 0.252 177.812 177.584 -0.040 0.000 1.493 199 A CA -0.463 51.587 52.037 0.021 0.000 1.150 199 A CB -0.283 18.762 19.000 0.074 0.000 1.159 199 A HN 0.686 nan 8.150 nan 0.000 0.526 200 T N 0.136 114.646 114.554 -0.075 0.000 2.907 200 T HA 0.513 4.862 4.350 -0.001 0.000 0.284 200 T C -1.315 173.329 174.700 -0.094 0.000 1.004 200 T CA -1.793 60.287 62.100 -0.034 0.000 1.063 200 T CB 1.407 70.299 68.868 0.040 0.000 0.992 200 T HN 0.211 nan 8.240 nan 0.000 0.483 201 P HA -0.209 nan 4.420 nan 0.000 0.222 201 P C -1.470 175.784 177.300 -0.076 0.000 1.147 201 P CA 2.177 65.243 63.100 -0.056 0.000 0.958 201 P CB -1.654 30.029 31.700 -0.027 0.000 0.788 202 P HA -0.158 nan 4.420 nan 0.000 0.216 202 P C 1.935 179.162 177.300 -0.122 0.000 1.157 202 P CA 1.367 64.427 63.100 -0.068 0.000 0.880 202 P CB -0.606 31.070 31.700 -0.039 0.000 0.791 203 I N -1.199 119.248 120.570 -0.205 0.000 2.163 203 I HA -0.214 3.955 4.170 -0.001 0.000 0.243 203 I C 2.212 178.167 176.117 -0.270 0.000 1.085 203 I CA 1.652 62.736 61.300 -0.361 0.000 1.347 203 I CB -1.505 36.047 38.000 -0.746 0.000 1.044 203 I HN -0.018 nan 8.210 nan 0.000 0.408 204 L N 0.121 121.217 121.223 -0.212 0.000 2.447 204 L HA -0.233 4.106 4.340 -0.001 0.000 0.225 204 L C 2.444 179.254 176.870 -0.100 0.000 1.148 204 L CA 0.785 55.540 54.840 -0.141 0.000 0.808 204 L CB -0.680 41.318 42.059 -0.101 0.000 0.928 204 L HN 0.315 nan 8.230 nan 0.000 0.448 205 Q N 0.617 120.358 119.800 -0.097 0.000 1.967 205 Q HA -0.071 4.268 4.340 -0.001 0.000 0.196 205 Q C 2.321 178.283 176.000 -0.063 0.000 0.978 205 Q CA 1.103 56.866 55.803 -0.067 0.000 0.833 205 Q CB -0.037 28.668 28.738 -0.056 0.000 0.898 205 Q HN 0.294 nan 8.270 nan 0.000 0.446 206 R N -0.090 120.368 120.500 -0.070 0.000 2.185 206 R HA -0.132 4.207 4.340 -0.001 0.000 0.247 206 R C 2.083 178.351 176.300 -0.052 0.000 1.159 206 R CA 1.426 57.492 56.100 -0.056 0.000 0.988 206 R CB -0.958 29.308 30.300 -0.058 0.000 0.871 206 R HN 0.172 nan 8.270 nan 0.000 0.458 207 V N 1.912 121.784 119.914 -0.070 0.000 2.323 207 V HA -0.239 3.881 4.120 -0.001 0.000 0.244 207 V C 2.605 178.678 176.094 -0.034 0.000 1.041 207 V CA 2.016 64.285 62.300 -0.051 0.000 1.025 207 V CB -0.475 31.308 31.823 -0.068 0.000 0.656 207 V HN 0.307 nan 8.190 nan 0.000 0.451 208 K N 1.146 121.521 120.400 -0.041 0.000 2.074 208 K HA -0.239 4.081 4.320 -0.001 0.000 0.209 208 K C 1.617 178.205 176.600 -0.021 0.000 1.048 208 K CA 2.124 58.393 56.287 -0.030 0.000 0.926 208 K CB -0.229 32.251 32.500 -0.034 0.000 0.713 208 K HN 0.712 nan 8.250 nan 0.000 0.444 209 E N -0.002 120.184 120.200 -0.023 0.000 2.365 209 E HA -0.009 4.340 4.350 -0.001 0.000 0.188 209 E C 1.068 177.660 176.600 -0.013 0.000 1.102 209 E CA -0.046 56.344 56.400 -0.017 0.000 0.927 209 E CB 0.506 30.195 29.700 -0.019 0.000 1.073 209 E HN 0.059 nan 8.360 nan 0.000 0.467 210 V N 0.774 120.682 119.914 -0.010 0.000 2.949 210 V HA -0.096 4.023 4.120 -0.001 0.000 0.245 210 V C 0.125 176.219 176.094 -0.000 0.000 1.086 210 V CA 0.698 62.994 62.300 -0.006 0.000 1.097 210 V CB -0.222 31.599 31.823 -0.003 0.000 0.762 210 V HN 0.331 nan 8.190 nan 0.000 0.470 211 D N 1.421 121.822 120.400 0.002 0.000 2.689 211 D HA -0.132 4.507 4.640 -0.001 0.000 0.237 211 D C 0.252 176.559 176.300 0.012 0.000 1.148 211 D CA 1.105 55.109 54.000 0.006 0.000 0.656 211 D CB -0.668 40.132 40.800 0.001 0.000 1.050 211 D HN 0.691 nan 8.370 nan 0.000 0.426 212 T N -3.707 110.859 114.554 0.020 0.000 2.885 212 T HA 0.369 4.718 4.350 -0.001 0.000 0.285 212 T C 1.152 175.878 174.700 0.043 0.000 1.019 212 T CA -0.977 61.139 62.100 0.026 0.000 1.010 212 T CB 1.900 70.784 68.868 0.028 0.000 1.022 212 T HN -0.041 nan 8.240 nan 0.000 0.466 213 N N 1.359 120.086 118.700 0.045 0.000 2.272 213 N HA -0.058 4.681 4.740 -0.001 0.000 0.185 213 N C -1.107 174.476 175.510 0.121 0.000 1.014 213 N CA 1.226 54.317 53.050 0.067 0.000 0.870 213 N CB -0.880 37.637 38.487 0.050 0.000 0.975 213 N HN 0.494 nan 8.380 nan 0.000 0.433 214 P HA 0.008 nan 4.420 nan 0.000 0.214 214 P C 1.275 178.696 177.300 0.202 0.000 1.162 214 P CA 1.413 64.618 63.100 0.175 0.000 0.874 214 P CB -0.205 31.555 31.700 0.101 0.000 0.784 215 A N 1.020 123.906 122.820 0.110 0.000 1.881 215 A HA -0.318 4.002 4.320 -0.001 0.000 0.219 215 A C 2.231 179.853 177.584 0.063 0.000 1.215 215 A CA 2.565 54.645 52.037 0.072 0.000 0.648 215 A CB -1.413 17.609 19.000 0.036 0.000 0.832 215 A HN 0.110 nan 8.150 nan 0.000 0.455 216 R N -1.489 119.049 120.500 0.063 0.000 2.080 216 R HA -0.194 4.145 4.340 -0.001 0.000 0.236 216 R C 2.078 178.401 176.300 0.038 0.000 1.137 216 R CA 1.709 57.832 56.100 0.039 0.000 0.943 216 R CB -1.334 28.991 30.300 0.042 0.000 0.846 216 R HN 0.612 nan 8.270 nan 0.000 0.431 217 F N 2.204 122.158 119.950 0.007 0.000 2.184 217 F HA -0.268 4.258 4.527 -0.001 0.000 0.301 217 F C 2.472 178.284 175.800 0.019 0.000 1.076 217 F CA 1.775 59.783 58.000 0.012 0.000 1.295 217 F CB -0.274 38.738 39.000 0.020 0.000 1.026 217 F HN -0.027 nan 8.300 nan 0.000 0.494 218 M N -0.011 119.496 119.600 -0.155 0.000 2.065 218 M HA -0.198 4.281 4.480 -0.001 0.000 0.259 218 M C 2.013 178.148 176.300 -0.276 0.000 1.069 218 M CA 1.964 57.131 55.300 -0.222 0.000 1.110 218 M CB -0.442 32.154 32.600 -0.008 0.000 1.328 218 M HN 0.309 nan 8.290 nan 0.000 0.405 219 L N -0.707 120.419 121.223 -0.162 0.000 2.131 219 L HA -0.135 4.204 4.340 -0.001 0.000 0.206 219 L C 2.348 179.126 176.870 -0.154 0.000 1.087 219 L CA 1.144 55.914 54.840 -0.116 0.000 0.767 219 L CB -0.704 41.310 42.059 -0.075 0.000 0.917 219 L HN 0.452 nan 8.230 nan 0.000 0.441 220 E N 0.339 120.428 120.200 -0.185 0.000 2.086 220 E HA -0.311 4.038 4.350 -0.001 0.000 0.205 220 E C 2.085 178.534 176.600 -0.251 0.000 1.027 220 E CA 1.689 57.974 56.400 -0.191 0.000 0.830 220 E CB 0.047 29.644 29.700 -0.171 0.000 0.751 220 E HN 0.236 nan 8.360 nan 0.000 0.456 221 I N 0.482 120.800 120.570 -0.419 0.000 2.394 221 I HA -0.220 3.949 4.170 -0.001 0.000 0.251 221 I C 2.177 178.155 176.117 -0.232 0.000 1.136 221 I CA 1.059 62.110 61.300 -0.415 0.000 1.425 221 I CB -0.490 37.156 38.000 -0.590 0.000 1.079 221 I HN 0.276 nan 8.210 nan 0.000 0.425 222 M N -0.386 119.111 119.600 -0.171 0.000 2.077 222 M HA -0.222 4.257 4.480 -0.001 0.000 0.261 222 M C 1.968 178.252 176.300 -0.027 0.000 1.070 222 M CA 1.796 57.062 55.300 -0.057 0.000 1.125 222 M CB -0.929 31.638 32.600 -0.055 0.000 1.339 222 M HN 0.154 nan 8.290 nan 0.000 0.409 223 D N -0.586 119.786 120.400 -0.047 0.000 2.077 223 D HA -0.217 4.422 4.640 -0.001 0.000 0.193 223 D C 1.869 178.195 176.300 0.043 0.000 0.989 223 D CA 1.268 55.264 54.000 -0.006 0.000 0.831 223 D CB -0.312 40.472 40.800 -0.027 0.000 0.979 223 D HN 0.228 nan 8.370 nan 0.000 0.449 224 Y N 0.630 120.799 120.300 -0.218 0.000 1.977 224 Y HA -0.330 4.219 4.550 -0.001 0.000 0.264 224 Y C 1.886 177.688 175.900 -0.163 0.000 1.167 224 Y CA 1.655 59.589 58.100 -0.277 0.000 1.102 224 Y CB -1.296 36.837 38.460 -0.544 0.000 0.948 224 Y HN 0.195 nan 8.280 nan 0.000 0.489 225 Y N -0.440 119.839 120.300 -0.035 0.000 2.632 225 Y HA -0.019 4.530 4.550 -0.001 0.000 0.301 225 Y C 2.578 178.458 175.900 -0.033 0.000 1.172 225 Y CA 0.919 58.927 58.100 -0.154 0.000 1.328 225 Y CB -1.304 37.003 38.460 -0.255 0.000 1.016 225 Y HN 0.082 nan 8.280 nan 0.000 0.529 226 T N -0.406 114.221 114.554 0.122 0.000 2.668 226 T HA -0.121 4.228 4.350 -0.001 0.000 0.258 226 T C 1.984 176.768 174.700 0.139 0.000 1.051 226 T CA 1.424 63.588 62.100 0.106 0.000 1.155 226 T CB 0.033 68.938 68.868 0.062 0.000 0.864 226 T HN 0.051 nan 8.240 nan 0.000 0.413 227 K N 0.944 121.430 120.400 0.142 0.000 1.965 227 K HA 0.034 4.353 4.320 -0.001 0.000 0.218 227 K C 2.020 178.732 176.600 0.187 0.000 1.048 227 K CA 1.287 57.665 56.287 0.152 0.000 0.960 227 K CB -1.014 31.573 32.500 0.145 0.000 0.732 227 K HN 0.273 nan 8.250 nan 0.000 0.444 228 I N -0.328 120.375 120.570 0.221 0.000 2.504 228 I HA -0.465 3.704 4.170 -0.001 0.000 0.230 228 I C 2.170 178.446 176.117 0.265 0.000 0.933 228 I CA 2.016 63.457 61.300 0.235 0.000 1.236 228 I CB -0.516 37.625 38.000 0.234 0.000 0.947 228 I HN 0.239 nan 8.210 nan 0.000 0.390 229 Y N 0.718 121.057 120.300 0.065 0.000 2.133 229 Y HA -0.223 4.326 4.550 -0.001 0.000 0.287 229 Y C 2.545 178.481 175.900 0.059 0.000 1.134 229 Y CA 1.475 59.605 58.100 0.049 0.000 1.133 229 Y CB -0.631 37.851 38.460 0.037 0.000 0.987 229 Y HN 0.266 nan 8.280 nan 0.000 0.502 230 Q N -0.790 119.121 119.800 0.185 0.000 2.594 230 Q HA -0.085 4.254 4.340 -0.001 0.000 0.219 230 Q C 1.768 177.837 176.000 0.115 0.000 0.980 230 Q CA 0.924 56.794 55.803 0.113 0.000 0.962 230 Q CB -0.133 28.670 28.738 0.108 0.000 0.987 230 Q HN 0.215 nan 8.270 nan 0.000 0.553 231 S N -0.461 115.297 115.700 0.096 0.000 2.545 231 S HA -0.032 4.438 4.470 -0.001 0.000 0.232 231 S C 1.520 176.158 174.600 0.062 0.000 1.070 231 S CA 0.292 58.550 58.200 0.097 0.000 0.923 231 S CB 0.041 63.307 63.200 0.110 0.000 0.806 231 S HN 0.568 nan 8.310 nan 0.000 0.506 232 N N 1.161 119.875 118.700 0.023 0.000 2.060 232 N HA -0.150 4.589 4.740 -0.001 0.000 0.195 232 N C 1.406 176.928 175.510 0.020 0.000 1.028 232 N CA 1.556 54.604 53.050 -0.004 0.000 0.861 232 N CB 0.160 38.604 38.487 -0.072 0.000 1.029 232 N HN 0.048 nan 8.380 nan 0.000 0.428 233 R N -2.716 117.806 120.500 0.037 0.000 2.841 233 R HA 0.312 4.651 4.340 -0.001 0.000 0.094 233 R C -1.284 175.118 176.300 0.169 0.000 0.721 233 R CA -0.248 55.902 56.100 0.083 0.000 0.544 233 R CB -0.592 29.742 30.300 0.057 0.000 0.458 233 R HN 0.219 nan 8.270 nan 0.000 0.334 234 Y N 1.063 121.371 120.300 0.014 0.000 2.583 234 Y HA 0.408 4.957 4.550 -0.002 0.000 0.303 234 Y C -1.106 174.817 175.900 0.038 0.000 1.108 234 Y CA -0.419 57.697 58.100 0.027 0.000 1.252 234 Y CB 0.552 39.025 38.460 0.021 0.000 1.114 234 Y HN 0.192 nan 8.280 nan 0.000 0.594 235 M N 3.866 123.378 119.600 -0.147 0.000 3.011 235 M HA 0.242 4.721 4.480 -0.001 0.000 0.292 235 M C 1.497 177.545 176.300 -0.421 0.000 1.440 235 M CA 0.682 55.879 55.300 -0.172 0.000 1.552 235 M CB -0.262 32.330 32.600 -0.013 0.000 1.187 235 M HN 0.891 nan 8.290 nan 0.000 0.520 236 A N 3.286 125.622 122.820 -0.806 0.000 1.957 236 A HA -0.130 4.189 4.320 -0.001 0.000 0.224 236 A C 1.119 178.478 177.584 -0.375 0.000 1.287 236 A CA 2.343 53.801 52.037 -0.965 0.000 0.682 236 A CB -0.378 18.317 19.000 -0.507 0.000 0.833 236 A HN 0.759 nan 8.150 nan 0.000 0.482 237 A N -3.019 119.689 122.820 -0.187 0.000 2.437 237 A HA 0.819 5.138 4.320 -0.001 0.000 0.292 237 A C 0.024 177.608 177.584 0.000 0.000 1.173 237 A CA -0.009 51.995 52.037 -0.056 0.000 0.785 237 A CB 0.805 19.807 19.000 0.005 0.000 1.351 237 A HN 1.643 nan 8.150 nan 0.000 0.431 238 A N -0.840 122.010 122.820 0.050 0.000 2.284 238 A HA 0.956 5.275 4.320 -0.001 0.000 0.317 238 A C -0.002 177.649 177.584 0.111 0.000 1.120 238 A CA -0.115 51.971 52.037 0.082 0.000 0.900 238 A CB 1.097 20.143 19.000 0.077 0.000 1.319 238 A HN 2.470 nan 8.150 nan 0.000 0.494 239 A N -0.778 122.079 122.820 0.062 0.000 2.539 239 A HA 0.686 5.005 4.320 -0.001 0.000 0.296 239 A C -0.305 177.123 177.584 -0.260 0.000 1.073 239 A CA 0.045 52.084 52.037 0.003 0.000 0.700 239 A CB 0.976 19.989 19.000 0.021 0.000 1.296 239 A HN 2.195 nan 8.150 nan 0.000 0.405 240 V N -0.454 119.334 119.914 -0.210 0.000 2.973 240 V HA 0.757 4.876 4.120 -0.001 0.000 0.314 240 V C 0.290 176.065 176.094 -0.532 0.000 1.066 240 V CA 0.090 62.217 62.300 -0.289 0.000 1.021 240 V CB 1.010 32.822 31.823 -0.018 0.000 1.076 240 V HN 1.031 nan 8.190 nan 0.000 0.462 241 H N -0.233 118.828 119.070 -0.015 0.000 1.920 241 H HA 0.205 4.760 4.556 -0.001 0.000 0.186 241 H C 1.459 176.756 175.328 -0.052 0.000 0.924 241 H CA 0.647 56.664 56.048 -0.051 0.000 1.039 241 H CB -0.093 29.655 29.762 -0.023 0.000 1.126 241 H HN 0.661 nan 8.280 nan 0.000 0.379 242 D N 1.830 122.301 120.400 0.118 0.000 2.157 242 D HA -0.161 4.478 4.640 -0.001 0.000 0.191 242 D C -0.862 175.464 176.300 0.044 0.000 1.004 242 D CA 1.691 55.729 54.000 0.064 0.000 0.854 242 D CB -1.637 39.195 40.800 0.053 0.000 0.936 242 D HN 0.344 nan 8.370 nan 0.000 0.446 243 P HA -0.099 nan 4.420 nan 0.000 0.216 243 P C 1.404 178.765 177.300 0.103 0.000 1.153 243 P CA 1.005 64.162 63.100 0.095 0.000 0.858 243 P CB -0.119 31.678 31.700 0.161 0.000 0.789 244 C N -0.564 118.720 119.300 -0.027 0.000 2.396 244 C HA -0.169 4.291 4.460 -0.001 0.000 0.277 244 C C 2.889 177.870 174.990 -0.016 0.000 1.231 244 C CA 1.203 60.121 59.018 -0.166 0.000 1.775 244 C CB -1.910 25.637 27.740 -0.321 0.000 2.036 244 C HN 0.253 nan 8.230 nan 0.000 0.484 245 A N 0.280 123.102 122.820 0.004 0.000 1.858 245 A HA -0.103 4.216 4.320 -0.001 0.000 0.216 245 A C 2.312 179.945 177.584 0.082 0.000 1.190 245 A CA 2.288 54.341 52.037 0.027 0.000 0.617 245 A CB -0.805 18.198 19.000 0.005 0.000 0.827 245 A HN 0.363 nan 8.150 nan 0.000 0.443 246 V N 0.038 119.992 119.914 0.067 0.000 2.255 246 V HA -0.287 3.832 4.120 -0.001 0.000 0.247 246 V C 3.072 179.213 176.094 0.079 0.000 1.051 246 V CA 2.059 64.397 62.300 0.062 0.000 1.018 246 V CB -1.543 30.309 31.823 0.048 0.000 0.641 246 V HN 0.658 nan 8.190 nan 0.000 0.445 247 A N -0.396 122.491 122.820 0.111 0.000 1.894 247 A HA -0.388 3.931 4.320 -0.001 0.000 0.220 247 A C 2.180 179.823 177.584 0.098 0.000 1.237 247 A CA 2.792 54.906 52.037 0.128 0.000 0.660 247 A CB -1.170 17.978 19.000 0.246 0.000 0.835 247 A HN 0.713 nan 8.150 nan 0.000 0.461 248 Y N 0.518 120.815 120.300 -0.005 0.000 2.165 248 Y HA -0.197 4.352 4.550 -0.001 0.000 0.286 248 Y C 2.342 178.231 175.900 -0.018 0.000 1.155 248 Y CA 1.867 59.956 58.100 -0.018 0.000 1.164 248 Y CB -0.495 37.944 38.460 -0.035 0.000 0.978 248 Y HN 0.076 nan 8.280 nan 0.000 0.513 249 V N 0.817 120.716 119.914 -0.024 0.000 2.233 249 V HA -0.366 3.753 4.120 -0.001 0.000 0.247 249 V C 2.451 178.450 176.094 -0.158 0.000 1.050 249 V CA 2.391 64.625 62.300 -0.109 0.000 1.010 249 V CB -0.772 31.050 31.823 -0.001 0.000 0.637 249 V HN 0.482 nan 8.190 nan 0.000 0.444 250 I N -0.103 120.418 120.570 -0.081 0.000 2.300 250 I HA -0.196 3.973 4.170 -0.001 0.000 0.252 250 I C 0.793 176.850 176.117 -0.101 0.000 1.119 250 I CA 1.788 63.045 61.300 -0.071 0.000 1.384 250 I CB -0.047 37.931 38.000 -0.037 0.000 1.062 250 I HN 0.428 nan 8.210 nan 0.000 0.426 251 D N -0.916 119.399 120.400 -0.143 0.000 2.668 251 D HA 0.069 4.708 4.640 -0.001 0.000 0.234 251 D C -1.799 174.379 176.300 -0.204 0.000 1.349 251 D CA -1.273 52.642 54.000 -0.142 0.000 0.889 251 D CB 0.669 41.429 40.800 -0.065 0.000 1.520 251 D HN -0.167 nan 8.370 nan 0.000 0.521 252 P HA -0.296 nan 4.420 nan 0.000 0.219 252 P C 1.417 178.647 177.300 -0.116 0.000 1.153 252 P CA 1.616 64.356 63.100 -0.599 0.000 0.865 252 P CB 0.037 31.436 31.700 -0.503 0.000 0.788 253 S N -0.856 114.799 115.700 -0.075 0.000 2.465 253 S HA -0.115 4.354 4.470 -0.001 0.000 0.241 253 S C 2.034 176.656 174.600 0.037 0.000 1.000 253 S CA 1.089 59.289 58.200 -0.000 0.000 0.964 253 S CB -1.624 61.571 63.200 -0.009 0.000 0.763 253 S HN 0.057 nan 8.310 nan 0.000 0.512 254 V N 1.692 121.628 119.914 0.038 0.000 2.568 254 V HA 0.080 4.199 4.120 -0.001 0.000 0.253 254 V C 0.883 177.026 176.094 0.082 0.000 1.072 254 V CA 1.911 64.252 62.300 0.068 0.000 1.084 254 V CB -0.578 31.291 31.823 0.077 0.000 0.676 254 V HN 0.834 nan 8.190 nan 0.000 0.469 255 M N -1.005 118.663 119.600 0.113 0.000 2.622 255 M HA 0.530 5.009 4.480 -0.001 0.000 0.276 255 M C -0.413 175.950 176.300 0.105 0.000 1.265 255 M CA -0.410 54.941 55.300 0.086 0.000 0.850 255 M CB 1.847 34.482 32.600 0.059 0.000 1.720 255 M HN 0.024 nan 8.290 nan 0.000 0.465 256 T N -0.059 114.537 114.554 0.070 0.000 2.899 256 T HA 0.754 5.103 4.350 -0.001 0.000 0.284 256 T C 0.082 174.812 174.700 0.050 0.000 1.004 256 T CA -0.056 62.084 62.100 0.067 0.000 1.043 256 T CB 1.312 70.212 68.868 0.053 0.000 1.013 256 T HN 0.938 nan 8.240 nan 0.000 0.518 257 T N -1.248 113.333 114.554 0.045 0.000 2.933 257 T HA 0.592 4.941 4.350 -0.001 0.000 0.305 257 T C -1.273 173.431 174.700 0.007 0.000 1.092 257 T CA -0.911 61.194 62.100 0.007 0.000 1.008 257 T CB 2.034 70.891 68.868 -0.019 0.000 1.102 257 T HN 0.780 nan 8.240 nan 0.000 0.469 258 E N 0.886 121.077 120.200 -0.016 0.000 2.176 258 E HA 0.409 4.758 4.350 -0.001 0.000 0.267 258 E C -0.449 176.112 176.600 -0.065 0.000 0.893 258 E CA -0.839 55.552 56.400 -0.016 0.000 0.761 258 E CB 1.255 30.968 29.700 0.021 0.000 1.133 258 E HN 0.458 nan 8.360 nan 0.000 0.409 259 R N 3.007 123.475 120.500 -0.054 0.000 2.248 259 R HA 0.213 4.552 4.340 -0.001 0.000 0.337 259 R C -0.535 175.690 176.300 -0.125 0.000 1.106 259 R CA -0.222 55.830 56.100 -0.080 0.000 0.959 259 R CB 0.065 30.343 30.300 -0.037 0.000 1.075 259 R HN 0.271 nan 8.270 nan 0.000 0.480 260 V N 0.993 120.782 119.914 -0.208 0.000 3.040 260 V HA 0.632 4.752 4.120 -0.001 0.000 0.312 260 V C -2.627 173.311 176.094 -0.261 0.000 1.115 260 V CA -3.232 58.890 62.300 -0.297 0.000 0.998 260 V CB 2.121 33.577 31.823 -0.612 0.000 1.042 260 V HN 0.433 nan 8.190 nan 0.000 0.433 261 P HA 0.492 nan 4.420 nan 0.000 0.275 261 P C -0.970 176.222 177.300 -0.179 0.000 1.228 261 P CA -0.121 62.877 63.100 -0.171 0.000 0.786 261 P CB 1.179 32.808 31.700 -0.119 0.000 0.927 262 V N 2.001 121.854 119.914 -0.102 0.000 2.808 262 V HA 0.567 4.686 4.120 -0.001 0.000 0.308 262 V C -0.596 175.505 176.094 0.012 0.000 1.099 262 V CA -0.411 61.867 62.300 -0.038 0.000 0.920 262 V CB 2.483 34.345 31.823 0.066 0.000 1.014 262 V HN 0.466 nan 8.190 nan 0.000 0.425 263 D N 1.776 122.139 120.400 -0.061 0.000 2.570 263 D HA 0.607 5.246 4.640 -0.001 0.000 0.244 263 D C -1.533 174.680 176.300 -0.145 0.000 1.178 263 D CA -0.441 53.512 54.000 -0.078 0.000 0.881 263 D CB 2.210 43.002 40.800 -0.013 0.000 1.453 263 D HN 0.306 nan 8.370 nan 0.000 0.447 264 I N 1.668 122.186 120.570 -0.086 0.000 2.404 264 I HA 0.269 4.438 4.170 -0.001 0.000 0.293 264 I C 0.180 176.336 176.117 0.065 0.000 0.992 264 I CA -0.768 60.492 61.300 -0.067 0.000 1.149 264 I CB 1.184 39.138 38.000 -0.077 0.000 1.315 264 I HN 0.381 nan 8.210 nan 0.000 0.446 265 E N 5.656 125.851 120.200 -0.007 0.000 2.257 265 E HA 0.257 4.606 4.350 -0.001 0.000 0.278 265 E C -0.051 176.538 176.600 -0.018 0.000 1.049 265 E CA 0.213 56.609 56.400 -0.005 0.000 0.876 265 E CB 0.761 30.449 29.700 -0.019 0.000 1.035 265 E HN 0.567 nan 8.360 nan 0.000 0.419 266 L N 2.943 124.147 121.223 -0.032 0.000 2.672 266 L HA 0.129 4.468 4.340 -0.001 0.000 0.236 266 L C 1.418 178.261 176.870 -0.046 0.000 1.092 266 L CA 0.852 55.661 54.840 -0.052 0.000 0.887 266 L CB 0.272 42.266 42.059 -0.108 0.000 1.168 266 L HN 0.664 nan 8.230 nan 0.000 0.502 267 T N -4.090 110.441 114.554 -0.038 0.000 3.004 267 T HA 0.206 4.555 4.350 -0.001 0.000 0.266 267 T C 0.996 175.681 174.700 -0.025 0.000 0.986 267 T CA 0.138 62.219 62.100 -0.032 0.000 0.902 267 T CB 0.252 69.100 68.868 -0.032 0.000 1.118 267 T HN 0.083 nan 8.240 nan 0.000 0.522 268 G N 1.485 110.271 108.800 -0.023 0.000 2.491 268 G HA2 0.322 4.281 3.960 -0.001 0.000 0.242 268 G HA3 0.322 4.281 3.960 -0.001 0.000 0.242 268 G C 0.714 175.600 174.900 -0.023 0.000 1.266 268 G CA -0.415 44.673 45.100 -0.020 0.000 0.844 268 G HN 0.346 nan 8.290 nan 0.000 0.571 269 K N 1.422 121.810 120.400 -0.021 0.000 2.211 269 K HA 0.131 4.451 4.320 -0.001 0.000 0.201 269 K C 1.623 178.208 176.600 -0.025 0.000 1.052 269 K CA 0.437 56.711 56.287 -0.022 0.000 0.973 269 K CB -0.072 32.417 32.500 -0.018 0.000 0.766 269 K HN 0.507 nan 8.250 nan 0.000 0.466 270 L N 1.127 122.336 121.223 -0.025 0.000 2.357 270 L HA 0.030 4.369 4.340 -0.001 0.000 0.211 270 L C 1.772 178.622 176.870 -0.033 0.000 1.075 270 L CA 1.239 56.062 54.840 -0.028 0.000 0.830 270 L CB 0.134 42.179 42.059 -0.023 0.000 0.996 270 L HN 0.302 nan 8.230 nan 0.000 0.467 271 T N -2.415 112.121 114.554 -0.029 0.000 3.105 271 T HA 0.149 4.498 4.350 -0.001 0.000 0.253 271 T C 0.457 175.135 174.700 -0.037 0.000 1.047 271 T CA -0.369 61.713 62.100 -0.030 0.000 0.944 271 T CB -0.253 68.603 68.868 -0.019 0.000 1.016 271 T HN -0.008 nan 8.240 nan 0.000 0.544 272 L N 2.487 123.686 121.223 -0.039 0.000 2.578 272 L HA 0.432 4.771 4.340 -0.001 0.000 0.279 272 L C 1.302 178.140 176.870 -0.053 0.000 1.227 272 L CA 1.886 56.701 54.840 -0.042 0.000 0.900 272 L CB -0.341 41.695 42.059 -0.039 0.000 1.144 272 L HN 0.551 nan 8.230 nan 0.000 0.496 273 G N 3.597 112.366 108.800 -0.052 0.000 2.148 273 G HA2 -0.353 3.606 3.960 -0.001 0.000 0.254 273 G HA3 -0.353 3.606 3.960 -0.001 0.000 0.254 273 G C 0.300 175.149 174.900 -0.084 0.000 0.981 273 G CA 0.379 45.439 45.100 -0.066 0.000 0.670 273 G HN 0.881 nan 8.290 nan 0.000 0.528 274 M N 2.361 121.918 119.600 -0.071 0.000 2.200 274 M HA 0.503 4.982 4.480 -0.001 0.000 0.355 274 M C 0.984 177.228 176.300 -0.093 0.000 1.283 274 M CA 0.394 55.655 55.300 -0.065 0.000 1.124 274 M CB 0.596 33.175 32.600 -0.035 0.000 1.625 274 M HN 0.438 nan 8.290 nan 0.000 0.463 275 T N 3.133 117.627 114.554 -0.099 0.000 2.776 275 T HA 0.401 4.750 4.350 -0.001 0.000 0.292 275 T C -0.220 174.450 174.700 -0.049 0.000 0.921 275 T CA -0.926 61.085 62.100 -0.148 0.000 1.038 275 T CB -0.486 68.300 68.868 -0.136 0.000 0.910 275 T HN 0.479 nan 8.240 nan 0.000 0.536 276 V N 3.406 123.282 119.914 -0.062 0.000 2.368 276 V HA 0.614 4.733 4.120 -0.001 0.000 0.266 276 V C 0.655 176.722 176.094 -0.045 0.000 1.045 276 V CA -0.832 61.460 62.300 -0.012 0.000 0.899 276 V CB -0.040 31.777 31.823 -0.010 0.000 1.006 276 V HN 1.141 nan 8.190 nan 0.000 0.470 277 A N 3.585 126.377 122.820 -0.046 0.000 2.317 277 A HA 0.618 4.937 4.320 -0.001 0.000 0.327 277 A C -0.399 177.014 177.584 -0.285 0.000 1.178 277 A CA -0.552 51.335 52.037 -0.250 0.000 0.817 277 A CB 0.955 19.662 19.000 -0.489 0.000 1.189 277 A HN 0.692 nan 8.150 nan 0.000 0.489 278 D N 2.118 122.322 120.400 -0.327 0.000 2.396 278 D HA 0.391 5.030 4.640 -0.001 0.000 0.225 278 D C -0.467 175.639 176.300 -0.323 0.000 1.121 278 D CA -0.046 53.834 54.000 -0.200 0.000 0.853 278 D CB 0.159 40.889 40.800 -0.117 0.000 1.043 278 D HN 0.362 nan 8.370 nan 0.000 0.500 279 F N 1.803 121.738 119.950 -0.026 0.000 2.693 279 F HA 0.252 4.778 4.527 -0.002 0.000 0.303 279 F C 1.603 177.396 175.800 -0.011 0.000 1.097 279 F CA -0.432 57.545 58.000 -0.038 0.000 1.330 279 F CB 0.127 39.107 39.000 -0.034 0.000 1.067 279 F HN 0.014 nan 8.300 nan 0.000 0.565 280 R N 0.589 121.169 120.500 0.133 0.000 2.827 280 R HA -0.034 4.305 4.340 -0.001 0.000 0.269 280 R C 0.734 177.069 176.300 0.059 0.000 1.048 280 R CA 0.480 56.633 56.100 0.088 0.000 1.173 280 R CB 0.083 30.417 30.300 0.058 0.000 1.070 280 R HN 0.162 nan 8.270 nan 0.000 0.498 281 N N 0.167 118.895 118.700 0.046 0.000 2.291 281 N HA 0.199 4.938 4.740 -0.001 0.000 0.244 281 N C -2.137 173.385 175.510 0.021 0.000 1.216 281 N CA -0.805 52.266 53.050 0.036 0.000 0.879 281 N CB 0.363 38.873 38.487 0.040 0.000 1.167 281 N HN 0.371 nan 8.380 nan 0.000 0.515 282 P HA 0.154 nan 4.420 nan 0.000 0.270 282 P C -0.821 176.480 177.300 0.002 0.000 1.242 282 P CA 0.012 63.117 63.100 0.007 0.000 0.768 282 P CB 0.518 32.220 31.700 0.003 0.000 0.820 283 R N 4.084 124.584 120.500 0.000 0.000 2.265 283 R HA 0.350 4.689 4.340 -0.001 0.000 0.314 283 R C -1.944 174.347 176.300 -0.016 0.000 1.053 283 R CA -1.603 54.490 56.100 -0.010 0.000 0.931 283 R CB -0.279 30.018 30.300 -0.005 0.000 1.024 283 R HN 0.421 nan 8.270 nan 0.000 0.457 284 P HA 0.108 nan 4.420 nan 0.000 0.274 284 P C 0.419 177.709 177.300 -0.017 0.000 1.231 284 P CA -0.338 62.752 63.100 -0.018 0.000 0.790 284 P CB 0.778 32.477 31.700 -0.001 0.000 0.951 285 E N 0.295 120.460 120.200 -0.058 0.000 2.230 285 E HA -0.096 4.253 4.350 -0.001 0.000 0.192 285 E C -0.059 176.588 176.600 0.077 0.000 0.987 285 E CA 1.115 57.472 56.400 -0.070 0.000 0.841 285 E CB -0.369 29.200 29.700 -0.219 0.000 0.783 285 E HN 0.487 nan 8.360 nan 0.000 0.481 286 H N 0.508 119.585 119.070 0.011 0.000 2.638 286 H HA 0.293 4.848 4.556 -0.002 0.000 0.242 286 H C -0.933 174.415 175.328 0.033 0.000 1.610 286 H CA -1.384 54.678 56.048 0.023 0.000 1.275 286 H CB -0.245 29.532 29.762 0.025 0.000 1.583 286 H HN 0.044 nan 8.280 nan 0.000 0.556 287 C N 2.783 122.173 119.300 0.149 0.000 2.281 287 C HA 0.164 4.623 4.460 -0.001 0.000 0.323 287 C C 1.668 176.687 174.990 0.049 0.000 1.270 287 C CA -0.507 58.547 59.018 0.060 0.000 1.559 287 C CB -0.876 26.860 27.740 -0.007 0.000 2.239 287 C HN 0.974 nan 8.230 nan 0.000 0.488 288 H N 2.067 121.140 119.070 0.006 0.000 2.539 288 H HA 0.227 4.782 4.556 -0.001 0.000 0.269 288 H C 0.624 175.937 175.328 -0.025 0.000 0.980 288 H CA 0.692 56.739 56.048 -0.002 0.000 1.152 288 H CB -0.022 29.751 29.762 0.019 0.000 1.407 288 H HN 0.561 nan 8.280 nan 0.000 0.564 289 T N -1.034 113.254 114.554 -0.442 0.000 2.940 289 T HA 0.550 4.900 4.350 -0.001 0.000 0.288 289 T C -0.562 174.010 174.700 -0.215 0.000 1.033 289 T CA -0.943 60.925 62.100 -0.388 0.000 1.033 289 T CB 2.718 71.330 68.868 -0.426 0.000 1.079 289 T HN 0.640 nan 8.240 nan 0.000 0.496 290 Q N -0.291 119.398 119.800 -0.185 0.000 2.575 290 Q HA 0.672 5.011 4.340 -0.001 0.000 0.290 290 Q C -1.618 174.299 176.000 -0.139 0.000 0.963 290 Q CA -1.350 54.364 55.803 -0.148 0.000 0.783 290 Q CB 1.992 30.663 28.738 -0.111 0.000 1.467 290 Q HN 0.747 nan 8.270 nan 0.000 0.402 291 V N -2.012 117.831 119.914 -0.118 0.000 2.680 291 V HA 0.957 5.076 4.120 -0.001 0.000 0.309 291 V C -0.215 175.858 176.094 -0.035 0.000 1.052 291 V CA -0.655 61.607 62.300 -0.063 0.000 0.908 291 V CB 1.272 33.062 31.823 -0.054 0.000 1.001 291 V HN 0.991 nan 8.190 nan 0.000 0.431 292 A N 2.900 125.716 122.820 -0.008 0.000 2.331 292 A HA 0.766 5.085 4.320 -0.001 0.000 0.283 292 A C 0.399 178.050 177.584 0.112 0.000 1.142 292 A CA -0.068 51.964 52.037 -0.009 0.000 0.812 292 A CB 1.102 20.056 19.000 -0.076 0.000 1.074 292 A HN 1.182 nan 8.150 nan 0.000 0.497 293 V N 2.169 122.135 119.914 0.087 0.000 3.671 293 V HA 0.260 4.380 4.120 -0.001 0.000 0.202 293 V C 0.677 176.811 176.094 0.067 0.000 1.188 293 V CA 0.536 62.914 62.300 0.131 0.000 1.325 293 V CB -0.729 31.165 31.823 0.118 0.000 1.470 293 V HN 0.738 nan 8.190 nan 0.000 0.520 294 K N 0.736 121.164 120.400 0.048 0.000 2.185 294 K HA 0.605 4.924 4.320 -0.001 0.000 0.269 294 K C -1.197 175.415 176.600 0.020 0.000 0.987 294 K CA -0.325 55.980 56.287 0.029 0.000 0.865 294 K CB 1.603 34.127 32.500 0.040 0.000 1.090 294 K HN 0.242 nan 8.250 nan 0.000 0.450 295 L N 2.559 123.784 121.223 0.004 0.000 2.331 295 L HA 0.367 4.706 4.340 -0.001 0.000 0.275 295 L C -0.838 176.078 176.870 0.075 0.000 1.022 295 L CA -0.302 54.540 54.840 0.005 0.000 0.812 295 L CB 1.532 43.549 42.059 -0.071 0.000 1.257 295 L HN 0.578 nan 8.230 nan 0.000 0.435 296 D N 2.993 123.450 120.400 0.095 0.000 2.494 296 D HA 0.025 4.664 4.640 -0.001 0.000 0.217 296 D C 0.977 177.420 176.300 0.238 0.000 1.153 296 D CA -0.093 53.998 54.000 0.152 0.000 0.954 296 D CB -0.010 40.862 40.800 0.120 0.000 1.034 296 D HN 0.479 nan 8.370 nan 0.000 0.518 297 F N 3.273 123.303 119.950 0.132 0.000 2.039 297 F HA -0.345 4.181 4.527 -0.002 0.000 0.296 297 F C 1.893 177.885 175.800 0.319 0.000 1.119 297 F CA 1.912 60.063 58.000 0.253 0.000 1.211 297 F CB 0.137 39.277 39.000 0.234 0.000 0.956 297 F HN 0.343 nan 8.300 nan 0.000 0.496 298 E N 0.527 120.985 120.200 0.430 0.000 2.026 298 E HA -0.310 4.039 4.350 -0.001 0.000 0.206 298 E C 2.238 178.931 176.600 0.155 0.000 1.028 298 E CA 1.732 58.297 56.400 0.274 0.000 0.845 298 E CB -0.969 28.867 29.700 0.226 0.000 0.772 298 E HN 0.462 nan 8.360 nan 0.000 0.462 299 K N -0.129 120.350 120.400 0.132 0.000 2.059 299 K HA -0.219 4.100 4.320 -0.001 0.000 0.212 299 K C 2.204 178.834 176.600 0.050 0.000 1.050 299 K CA 1.570 57.905 56.287 0.080 0.000 0.927 299 K CB -0.384 32.163 32.500 0.078 0.000 0.714 299 K HN 0.030 nan 8.250 nan 0.000 0.447 300 F N 0.368 120.255 119.950 -0.105 0.000 2.011 300 F HA -0.267 4.259 4.527 -0.001 0.000 0.296 300 F C 1.860 177.486 175.800 -0.289 0.000 1.144 300 F CA 1.987 59.828 58.000 -0.265 0.000 1.185 300 F CB -1.061 37.669 39.000 -0.451 0.000 0.961 300 F HN 0.165 nan 8.300 nan 0.000 0.485 301 W N 0.736 121.764 121.300 -0.454 0.000 2.318 301 W HA -0.130 4.529 4.660 -0.002 0.000 0.313 301 W C 2.731 179.023 176.519 -0.379 0.000 1.221 301 W CA 1.565 58.570 57.345 -0.568 0.000 1.266 301 W CB -1.284 27.894 29.460 -0.470 0.000 1.150 301 W HN 0.270 nan 8.180 nan 0.000 0.496 302 G N 0.769 109.564 108.800 -0.008 0.000 2.721 302 G HA2 -0.351 3.608 3.960 -0.001 0.000 0.218 302 G HA3 -0.351 3.608 3.960 -0.001 0.000 0.218 302 G C 1.372 176.217 174.900 -0.092 0.000 1.265 302 G CA 1.686 46.770 45.100 -0.026 0.000 0.796 302 G HN 0.138 nan 8.290 nan 0.000 0.620 303 L N 0.232 121.376 121.223 -0.133 0.000 2.056 303 L HA -0.291 4.048 4.340 -0.001 0.000 0.237 303 L C 3.133 179.891 176.870 -0.187 0.000 1.106 303 L CA 2.479 57.227 54.840 -0.154 0.000 0.829 303 L CB -1.411 40.539 42.059 -0.182 0.000 0.924 303 L HN 0.227 nan 8.230 nan 0.000 0.447 304 V N -0.303 119.411 119.914 -0.334 0.000 2.231 304 V HA -0.360 3.759 4.120 -0.001 0.000 0.250 304 V C 2.530 178.565 176.094 -0.098 0.000 1.058 304 V CA 2.275 64.418 62.300 -0.262 0.000 1.022 304 V CB -0.705 30.919 31.823 -0.331 0.000 0.640 304 V HN 0.369 nan 8.190 nan 0.000 0.445 305 L N 0.186 121.379 121.223 -0.051 0.000 1.989 305 L HA -0.269 4.070 4.340 -0.001 0.000 0.211 305 L C 2.548 179.399 176.870 -0.031 0.000 1.071 305 L CA 2.427 57.257 54.840 -0.017 0.000 0.749 305 L CB -0.813 41.242 42.059 -0.005 0.000 0.890 305 L HN 0.504 nan 8.230 nan 0.000 0.431 306 D N -0.127 120.248 120.400 -0.043 0.000 2.133 306 D HA -0.261 4.378 4.640 -0.001 0.000 0.192 306 D C 2.082 178.353 176.300 -0.049 0.000 1.001 306 D CA 1.704 55.679 54.000 -0.042 0.000 0.844 306 D CB 0.048 40.821 40.800 -0.045 0.000 0.944 306 D HN 0.301 nan 8.370 nan 0.000 0.447 307 A N -0.060 122.724 122.820 -0.060 0.000 1.948 307 A HA -0.146 4.173 4.320 -0.001 0.000 0.220 307 A C 2.476 180.026 177.584 -0.057 0.000 1.177 307 A CA 1.347 53.343 52.037 -0.068 0.000 0.636 307 A CB -0.921 18.039 19.000 -0.068 0.000 0.815 307 A HN 0.439 nan 8.150 nan 0.000 0.449 308 L N -0.701 120.503 121.223 -0.032 0.000 2.056 308 L HA -0.184 4.155 4.340 -0.001 0.000 0.207 308 L C 2.698 179.557 176.870 -0.018 0.000 1.078 308 L CA 1.493 56.326 54.840 -0.011 0.000 0.749 308 L CB -0.473 41.591 42.059 0.008 0.000 0.901 308 L HN 0.541 nan 8.230 nan 0.000 0.433 309 E N -0.041 120.144 120.200 -0.024 0.000 2.001 309 E HA -0.244 4.105 4.350 -0.001 0.000 0.195 309 E C 2.140 178.719 176.600 -0.035 0.000 1.002 309 E CA 1.018 57.404 56.400 -0.024 0.000 0.819 309 E CB -0.308 29.378 29.700 -0.024 0.000 0.769 309 E HN 0.399 nan 8.360 nan 0.000 0.454 310 R N 0.875 121.346 120.500 -0.048 0.000 2.198 310 R HA -0.210 4.129 4.340 -0.001 0.000 0.258 310 R C 2.710 178.961 176.300 -0.081 0.000 1.173 310 R CA 1.826 57.887 56.100 -0.064 0.000 0.991 310 R CB -1.019 29.234 30.300 -0.079 0.000 0.879 310 R HN 0.468 nan 8.270 nan 0.000 0.460 311 I N -2.101 118.416 120.570 -0.088 0.000 2.493 311 I HA 0.026 4.196 4.170 -0.001 0.000 0.254 311 I C 1.379 177.473 176.117 -0.039 0.000 1.160 311 I CA 1.109 62.353 61.300 -0.093 0.000 1.445 311 I CB -0.710 37.251 38.000 -0.065 0.000 1.086 311 I HN 0.233 nan 8.210 nan 0.000 0.433 312 G N 1.594 110.378 108.800 -0.026 0.000 2.574 312 G HA2 -0.376 3.583 3.960 -0.001 0.000 0.286 312 G HA3 -0.376 3.583 3.960 -0.001 0.000 0.286 312 G C -0.663 174.237 174.900 0.000 0.000 1.212 312 G CA 0.702 45.795 45.100 -0.011 0.000 0.979 312 G HN 0.586 nan 8.290 nan 0.000 0.557 313 D N 2.127 122.530 120.400 0.004 0.000 2.461 313 D HA 0.566 5.206 4.640 -0.001 0.000 0.240 313 D C -2.241 174.065 176.300 0.011 0.000 1.094 313 D CA -0.953 53.052 54.000 0.009 0.000 0.868 313 D CB 1.099 41.904 40.800 0.009 0.000 1.062 313 D HN 0.242 nan 8.370 nan 0.000 0.530 314 P HA -0.107 nan 4.420 nan 0.000 0.238 314 P C -0.252 177.053 177.300 0.009 0.000 1.090 314 P CA 0.332 63.443 63.100 0.018 0.000 0.944 314 P CB -0.029 31.680 31.700 0.014 0.000 0.881 315 Q N 0.000 119.806 119.800 0.010 0.000 2.315 315 Q HA 0.000 4.339 4.340 -0.001 0.000 0.214 315 Q CA 0.000 55.806 55.803 0.005 0.000 1.022 315 Q CB 0.000 28.741 28.738 0.006 0.000 1.108 315 Q HN 0.000 nan 8.270 nan 0.000 0.481