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 2c7d_1_K DATA FIRST_RESID 3 DATA SEQUENCE AKDVKFGNDA RVKMLRGVNV LADAVKVTLG PKGRNVVLDK SFGAPTITKD DATA SEQUENCE GVSVAREIEL EDKFENMGAQ MVKEVASKAN DAAGDGTTTA TVLAQAIITE DATA SEQUENCE GLKAVAAGMN PMDLKRGIDK AVTAAVEELK ALSVPCSDSK AIAQVGTISA DATA SEQUENCE NSDETVGKLI AEAMDKVGKE GVITVEDGTG LQDELDVVEG MQFDRGYLSP DATA SEQUENCE YFINKPETGA VELESPFILL ADKKISNIRE MLPVLEAVAK AGKPLLIIAE DATA SEQUENCE DVEGEALATL VVNTMRGIVK VAAVKAPGFG DRRKAMLQDI ATLTGGTVIS DATA SEQUENCE EEIGMELEKA TLEDLGQAKR VVINKDTTTI IDGVGEEAAI QGRVAQIRQQ DATA SEQUENCE IEEATSDYDR EKLQERVAKL AGGVAVIKVG AATEVEMKEK KARVEDALHA DATA SEQUENCE TRAAVEEGVV AGGGVALIRV ASKLADLRGQ NEDQNVGIKV ALRAMEAPLR DATA SEQUENCE QIVLNCGEEP SVVANTVKGG DGNYGYNAAT EEYGNMIDMG ILDPTKVTRS DATA SEQUENCE ALQYAASVAG LMITTECMVT DLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.588 177.584 0.007 0.000 1.274 3 A CA 0.000 52.043 52.037 0.010 0.000 0.836 3 A CB 0.000 19.005 19.000 0.008 0.000 0.831 4 K N 1.290 121.701 120.400 0.017 0.000 2.568 4 K HA 0.494 4.815 4.320 0.002 0.000 0.273 4 K C -1.859 174.773 176.600 0.053 0.000 0.951 4 K CA -0.605 55.692 56.287 0.018 0.000 0.854 4 K CB 2.468 34.974 32.500 0.011 0.000 1.424 4 K HN 0.803 nan 8.250 nan 0.000 0.427 5 D N 0.954 121.403 120.400 0.083 0.000 2.268 5 D HA 0.610 5.251 4.640 0.002 0.000 0.249 5 D C -1.074 175.370 176.300 0.240 0.000 1.008 5 D CA -0.474 53.639 54.000 0.188 0.000 0.939 5 D CB 1.624 42.609 40.800 0.309 0.000 1.170 5 D HN 0.263 nan 8.370 nan 0.000 0.468 6 V N -0.932 119.140 119.914 0.263 0.000 2.711 6 V HA 0.669 4.790 4.120 0.002 0.000 0.304 6 V C -1.213 174.965 176.094 0.140 0.000 1.097 6 V CA -0.832 61.579 62.300 0.184 0.000 0.906 6 V CB 1.700 33.587 31.823 0.107 0.000 1.015 6 V HN 0.488 nan 8.190 nan 0.000 0.427 7 K N 4.379 124.819 120.400 0.066 0.000 2.553 7 K HA 0.638 4.959 4.320 0.002 0.000 0.250 7 K C -1.720 174.830 176.600 -0.083 0.000 0.953 7 K CA -0.346 55.923 56.287 -0.030 0.000 0.800 7 K CB 2.535 34.832 32.500 -0.339 0.000 1.243 7 K HN 0.613 nan 8.250 nan 0.000 0.435 8 F N 0.932 120.879 119.950 -0.005 0.000 2.378 8 F HA 0.488 5.016 4.527 0.001 0.000 0.325 8 F C 1.548 177.341 175.800 -0.010 0.000 1.097 8 F CA 0.881 58.884 58.000 0.006 0.000 1.079 8 F CB 1.278 40.281 39.000 0.005 0.000 1.240 8 F HN 0.850 nan 8.300 nan 0.000 0.519 9 G N 1.992 110.903 108.800 0.185 0.000 2.550 9 G HA2 -0.474 3.487 3.960 0.002 0.000 0.277 9 G HA3 -0.474 3.487 3.960 0.002 0.000 0.277 9 G C 0.882 175.816 174.900 0.057 0.000 1.190 9 G CA 0.739 45.907 45.100 0.114 0.000 0.971 9 G HN 0.868 nan 8.290 nan 0.000 0.559 10 N N 0.534 119.257 118.700 0.038 0.000 2.005 10 N HA -0.116 4.625 4.740 0.002 0.000 0.199 10 N C 1.790 177.300 175.510 0.001 0.000 1.054 10 N CA 2.951 56.011 53.050 0.017 0.000 0.864 10 N CB -0.467 38.026 38.487 0.011 0.000 1.063 10 N HN 0.612 nan 8.380 nan 0.000 0.428 11 D N -0.585 119.804 120.400 -0.017 0.000 2.178 11 D HA -0.034 4.607 4.640 0.002 0.000 0.201 11 D C 1.842 178.096 176.300 -0.076 0.000 0.980 11 D CA 1.281 55.249 54.000 -0.052 0.000 0.842 11 D CB -0.340 40.413 40.800 -0.078 0.000 0.948 11 D HN 0.503 nan 8.370 nan 0.000 0.472 12 A N 0.813 123.593 122.820 -0.067 0.000 1.855 12 A HA -0.164 4.157 4.320 0.002 0.000 0.215 12 A C 2.112 179.715 177.584 0.031 0.000 1.191 12 A CA 1.186 53.205 52.037 -0.030 0.000 0.613 12 A CB -0.407 18.592 19.000 -0.002 0.000 0.829 12 A HN 0.062 nan 8.150 nan 0.000 0.442 13 R N -0.658 119.858 120.500 0.026 0.000 2.105 13 R HA -0.096 4.245 4.340 0.002 0.000 0.239 13 R C 2.026 178.342 176.300 0.026 0.000 1.135 13 R CA 1.425 57.543 56.100 0.030 0.000 0.967 13 R CB -0.568 29.748 30.300 0.027 0.000 0.861 13 R HN 0.405 nan 8.270 nan 0.000 0.442 14 V N 1.457 121.380 119.914 0.015 0.000 2.295 14 V HA -0.248 3.873 4.120 0.002 0.000 0.246 14 V C 2.296 178.403 176.094 0.021 0.000 1.049 14 V CA 1.622 63.930 62.300 0.013 0.000 1.024 14 V CB -0.338 31.485 31.823 0.001 0.000 0.648 14 V HN 0.228 nan 8.190 nan 0.000 0.447 15 K N -0.496 119.920 120.400 0.027 0.000 2.026 15 K HA -0.167 4.154 4.320 0.002 0.000 0.208 15 K C 2.137 178.780 176.600 0.073 0.000 1.048 15 K CA 1.831 58.153 56.287 0.058 0.000 0.929 15 K CB -0.592 31.964 32.500 0.094 0.000 0.713 15 K HN 0.439 nan 8.250 nan 0.000 0.439 16 M N 0.738 120.384 119.600 0.076 0.000 2.082 16 M HA -0.232 4.249 4.480 0.002 0.000 0.258 16 M C 2.147 178.471 176.300 0.041 0.000 1.069 16 M CA 1.449 56.785 55.300 0.061 0.000 1.102 16 M CB -0.177 32.457 32.600 0.056 0.000 1.336 16 M HN 0.082 nan 8.290 nan 0.000 0.404 17 L N 0.636 121.880 121.223 0.034 0.000 1.970 17 L HA -0.229 4.112 4.340 0.002 0.000 0.212 17 L C 2.343 179.228 176.870 0.025 0.000 1.071 17 L CA 2.004 56.860 54.840 0.026 0.000 0.751 17 L CB -0.844 41.229 42.059 0.022 0.000 0.889 17 L HN 0.276 nan 8.230 nan 0.000 0.432 18 R N -0.605 119.911 120.500 0.027 0.000 2.103 18 R HA -0.158 4.183 4.340 0.002 0.000 0.242 18 R C 2.181 178.497 176.300 0.027 0.000 1.142 18 R CA 1.343 57.459 56.100 0.025 0.000 0.960 18 R CB -1.096 29.220 30.300 0.026 0.000 0.858 18 R HN 0.629 nan 8.270 nan 0.000 0.439 19 G N 0.309 109.128 108.800 0.033 0.000 2.418 19 G HA2 -0.208 3.753 3.960 0.002 0.000 0.217 19 G HA3 -0.208 3.753 3.960 0.002 0.000 0.217 19 G C 1.476 176.390 174.900 0.022 0.000 1.158 19 G CA 0.652 45.769 45.100 0.029 0.000 0.771 19 G HN 0.137 nan 8.290 nan 0.000 0.545 20 V N 1.321 121.248 119.914 0.022 0.000 2.295 20 V HA -0.232 3.889 4.120 0.002 0.000 0.246 20 V C 2.580 178.685 176.094 0.018 0.000 1.049 20 V CA 2.266 64.577 62.300 0.019 0.000 1.024 20 V CB -0.776 31.059 31.823 0.020 0.000 0.648 20 V HN 0.438 nan 8.190 nan 0.000 0.447 21 N N -0.113 118.598 118.700 0.018 0.000 2.025 21 N HA -0.172 4.569 4.740 0.002 0.000 0.194 21 N C 1.740 177.259 175.510 0.015 0.000 1.044 21 N CA 1.618 54.678 53.050 0.016 0.000 0.851 21 N CB -0.373 38.123 38.487 0.016 0.000 1.036 21 N HN 0.259 nan 8.380 nan 0.000 0.422 22 V N 1.583 121.506 119.914 0.016 0.000 2.332 22 V HA -0.186 3.935 4.120 0.002 0.000 0.248 22 V C 2.196 178.298 176.094 0.013 0.000 1.055 22 V CA 1.215 63.524 62.300 0.014 0.000 1.038 22 V CB -0.572 31.261 31.823 0.016 0.000 0.651 22 V HN 0.400 nan 8.190 nan 0.000 0.450 23 L N 0.536 121.767 121.223 0.013 0.000 2.005 23 L HA -0.101 4.240 4.340 0.002 0.000 0.207 23 L C 2.524 179.401 176.870 0.012 0.000 1.072 23 L CA 2.725 57.572 54.840 0.011 0.000 0.744 23 L CB -1.320 40.746 42.059 0.010 0.000 0.895 23 L HN 0.342 nan 8.230 nan 0.000 0.433 24 A N -0.595 122.233 122.820 0.013 0.000 1.969 24 A HA -0.195 4.126 4.320 0.002 0.000 0.218 24 A C 1.794 179.386 177.584 0.013 0.000 1.169 24 A CA 1.574 53.619 52.037 0.014 0.000 0.635 24 A CB -0.507 18.502 19.000 0.015 0.000 0.810 24 A HN 0.509 nan 8.150 nan 0.000 0.445 25 D N -0.061 120.347 120.400 0.013 0.000 2.269 25 D HA 0.064 4.705 4.640 0.002 0.000 0.208 25 D C 2.043 178.349 176.300 0.011 0.000 0.963 25 D CA 1.139 55.146 54.000 0.012 0.000 0.864 25 D CB -0.128 40.679 40.800 0.011 0.000 0.936 25 D HN 0.455 nan 8.370 nan 0.000 0.505 26 A N 0.393 123.219 122.820 0.010 0.000 1.843 26 A HA -0.060 4.261 4.320 0.002 0.000 0.213 26 A C 2.428 180.018 177.584 0.010 0.000 1.202 26 A CA 0.676 52.718 52.037 0.009 0.000 0.607 26 A CB -0.769 18.236 19.000 0.008 0.000 0.847 26 A HN 0.090 nan 8.150 nan 0.000 0.445 27 V N 0.628 120.548 119.914 0.010 0.000 2.453 27 V HA -0.325 3.796 4.120 0.002 0.000 0.252 27 V C 2.412 178.514 176.094 0.012 0.000 1.068 27 V CA 2.403 64.710 62.300 0.011 0.000 1.070 27 V CB -0.829 31.001 31.823 0.012 0.000 0.664 27 V HN 0.545 nan 8.190 nan 0.000 0.461 28 K N 0.127 120.535 120.400 0.013 0.000 2.127 28 K HA -0.198 4.123 4.320 0.002 0.000 0.208 28 K C 1.773 178.380 176.600 0.012 0.000 1.047 28 K CA 1.858 58.153 56.287 0.013 0.000 0.927 28 K CB -0.432 32.076 32.500 0.013 0.000 0.716 28 K HN 0.617 nan 8.250 nan 0.000 0.450 29 V N -0.825 119.095 119.914 0.011 0.000 3.623 29 V HA -0.018 4.103 4.120 0.002 0.000 0.274 29 V C 1.237 177.336 176.094 0.009 0.000 1.244 29 V CA 1.553 63.859 62.300 0.009 0.000 1.182 29 V CB -0.755 31.073 31.823 0.008 0.000 0.925 29 V HN 0.353 nan 8.190 nan 0.000 0.462 30 T N -3.111 111.448 114.554 0.009 0.000 3.040 30 T HA 0.366 4.717 4.350 0.002 0.000 0.266 30 T C 0.284 174.990 174.700 0.009 0.000 1.005 30 T CA -0.180 61.925 62.100 0.009 0.000 0.906 30 T CB 0.184 69.057 68.868 0.009 0.000 1.082 30 T HN 0.326 nan 8.240 nan 0.000 0.531 31 L N 2.959 124.189 121.223 0.011 0.000 2.360 31 L HA 0.602 4.943 4.340 0.002 0.000 0.276 31 L C 0.781 177.658 176.870 0.011 0.000 1.121 31 L CA 1.602 56.449 54.840 0.012 0.000 0.845 31 L CB -0.349 41.719 42.059 0.016 0.000 1.143 31 L HN 0.700 nan 8.230 nan 0.000 0.452 32 G N 4.698 113.503 108.800 0.009 0.000 2.685 32 G HA2 -0.162 3.799 3.960 0.002 0.000 0.387 32 G HA3 -0.162 3.799 3.960 0.002 0.000 0.387 32 G C -2.287 172.612 174.900 -0.001 0.000 1.324 32 G CA -0.294 44.809 45.100 0.005 0.000 0.878 32 G HN 0.528 nan 8.290 nan 0.000 0.527 33 P HA 0.011 nan 4.420 nan 0.000 0.217 33 P C 1.271 178.564 177.300 -0.011 0.000 1.154 33 P CA 1.414 64.507 63.100 -0.012 0.000 0.841 33 P CB 0.034 31.721 31.700 -0.022 0.000 0.788 34 K N 0.205 120.599 120.400 -0.010 0.000 2.589 34 K HA 0.128 4.449 4.320 0.002 0.000 0.192 34 K C 1.163 177.763 176.600 0.000 0.000 1.029 34 K CA -0.133 56.150 56.287 -0.006 0.000 1.031 34 K CB -0.413 32.084 32.500 -0.005 0.000 0.821 34 K HN 0.134 nan 8.250 nan 0.000 0.502 35 G N 1.163 109.964 108.800 0.001 0.000 2.442 35 G HA2 0.119 4.080 3.960 0.002 0.000 0.249 35 G HA3 0.119 4.080 3.960 0.002 0.000 0.249 35 G C -0.168 174.734 174.900 0.003 0.000 1.263 35 G CA -0.469 44.634 45.100 0.004 0.000 0.846 35 G HN 0.208 nan 8.290 nan 0.000 0.555 36 R N 0.904 121.406 120.500 0.004 0.000 2.527 36 R HA 0.387 4.728 4.340 0.002 0.000 0.236 36 R C -0.250 176.053 176.300 0.003 0.000 1.257 36 R CA -0.501 55.601 56.100 0.003 0.000 1.088 36 R CB 0.471 30.773 30.300 0.004 0.000 1.396 36 R HN 0.596 nan 8.270 nan 0.000 0.571 37 N N -1.603 117.098 118.700 0.003 0.000 2.380 37 N HA 0.502 5.243 4.740 0.002 0.000 0.290 37 N C -1.784 173.728 175.510 0.004 0.000 1.236 37 N CA -0.640 52.412 53.050 0.003 0.000 0.780 37 N CB 2.383 40.872 38.487 0.002 0.000 1.438 37 N HN 0.069 nan 8.380 nan 0.000 0.491 38 V N 0.929 120.846 119.914 0.004 0.000 2.735 38 V HA 0.485 4.606 4.120 0.002 0.000 0.310 38 V C -0.678 175.418 176.094 0.003 0.000 1.061 38 V CA -0.792 61.511 62.300 0.004 0.000 0.913 38 V CB 1.967 33.793 31.823 0.005 0.000 1.005 38 V HN 0.345 nan 8.190 nan 0.000 0.428 39 V N 5.771 125.686 119.914 0.002 0.000 2.439 39 V HA 0.560 4.681 4.120 0.002 0.000 0.282 39 V C -0.075 176.020 176.094 0.001 0.000 1.039 39 V CA -0.257 62.044 62.300 0.001 0.000 0.913 39 V CB 1.339 33.161 31.823 -0.001 0.000 0.983 39 V HN 0.625 nan 8.190 nan 0.000 0.460 40 L N 3.133 124.357 121.223 0.002 0.000 2.230 40 L HA 0.798 5.139 4.340 0.002 0.000 0.255 40 L C -1.132 175.738 176.870 0.000 0.000 1.039 40 L CA -0.726 54.116 54.840 0.003 0.000 0.846 40 L CB 2.413 44.477 42.059 0.009 0.000 1.419 40 L HN 0.702 nan 8.230 nan 0.000 0.435 41 D N -0.304 120.096 120.400 -0.001 0.000 2.886 41 D HA 0.297 4.938 4.640 0.002 0.000 0.216 41 D C -1.558 174.742 176.300 0.000 0.000 1.256 41 D CA -0.543 53.452 54.000 -0.009 0.000 0.844 41 D CB 1.816 42.597 40.800 -0.032 0.000 1.669 41 D HN 0.310 nan 8.370 nan 0.000 0.513 42 K N 2.169 122.580 120.400 0.018 0.000 2.473 42 K HA 0.271 4.592 4.320 0.002 0.000 0.246 42 K C 0.598 177.169 176.600 -0.048 0.000 1.011 42 K CA -0.418 55.909 56.287 0.066 0.000 0.984 42 K CB 1.229 33.839 32.500 0.184 0.000 1.250 42 K HN 0.453 nan 8.250 nan 0.000 0.454 43 S N 1.328 116.826 115.700 -0.336 0.000 2.500 43 S HA -0.144 4.327 4.470 0.002 0.000 0.239 43 S C 1.418 175.764 174.600 -0.425 0.000 0.989 43 S CA 0.789 58.749 58.200 -0.399 0.000 0.951 43 S CB -0.502 62.434 63.200 -0.441 0.000 0.759 43 S HN 0.477 nan 8.310 nan 0.000 0.523 44 F N 2.472 122.422 119.950 -0.000 0.000 2.269 44 F HA 0.202 4.730 4.527 0.002 0.000 0.301 44 F C 2.274 178.074 175.800 0.000 0.000 1.082 44 F CA 0.423 58.423 58.000 -0.000 0.000 1.360 44 F CB -1.051 37.949 39.000 -0.000 0.000 1.041 44 F HN 0.364 nan 8.300 nan 0.000 0.512 45 G N -0.961 107.923 108.800 0.141 0.000 2.754 45 G HA2 0.651 4.612 3.960 0.002 0.000 0.210 45 G HA3 0.651 4.612 3.960 0.002 0.000 0.210 45 G C -0.506 174.406 174.900 0.021 0.000 2.092 45 G CA 0.385 45.531 45.100 0.076 0.000 0.766 45 G HN 0.482 nan 8.290 nan 0.000 0.745 46 A N -1.465 121.363 122.820 0.014 0.000 2.544 46 A HA 0.708 5.029 4.320 0.002 0.000 0.291 46 A C -3.088 174.494 177.584 -0.003 0.000 1.055 46 A CA -0.750 51.283 52.037 -0.006 0.000 0.651 46 A CB 0.320 19.320 19.000 -0.000 0.000 1.296 46 A HN 0.286 nan 8.150 nan 0.000 0.431 47 P HA 0.460 nan 4.420 nan 0.000 0.269 47 P C -0.372 176.930 177.300 0.002 0.000 1.217 47 P CA 0.450 63.547 63.100 -0.006 0.000 0.783 47 P CB 0.598 32.292 31.700 -0.010 0.000 0.898 48 T N 1.049 115.605 114.554 0.005 0.000 2.932 48 T HA 0.527 4.878 4.350 0.002 0.000 0.318 48 T C -0.695 174.009 174.700 0.006 0.000 1.265 48 T CA -0.287 61.818 62.100 0.007 0.000 1.036 48 T CB 0.710 69.586 68.868 0.013 0.000 1.209 48 T HN 0.047 nan 8.240 nan 0.000 0.484 49 I N 1.680 122.253 120.570 0.005 0.000 2.412 49 I HA 0.683 4.854 4.170 0.002 0.000 0.296 49 I C 0.500 176.620 176.117 0.006 0.000 0.987 49 I CA -0.270 61.033 61.300 0.005 0.000 1.180 49 I CB 2.027 40.028 38.000 0.003 0.000 1.340 49 I HN 0.539 nan 8.210 nan 0.000 0.455 50 T N 3.273 117.830 114.554 0.006 0.000 2.887 50 T HA 0.472 4.823 4.350 0.002 0.000 0.292 50 T C 0.172 174.876 174.700 0.006 0.000 1.087 50 T CA -0.491 61.613 62.100 0.007 0.000 1.009 50 T CB 1.492 70.365 68.868 0.009 0.000 1.203 50 T HN 0.717 nan 8.240 nan 0.000 0.518 51 K N 0.388 120.792 120.400 0.007 0.000 2.477 51 K HA 0.231 4.552 4.320 0.002 0.000 0.208 51 K C -0.495 176.110 176.600 0.009 0.000 1.117 51 K CA -0.153 56.138 56.287 0.007 0.000 1.039 51 K CB 0.468 32.972 32.500 0.006 0.000 0.937 51 K HN 0.608 nan 8.250 nan 0.000 0.570 52 D N -1.099 119.307 120.400 0.010 0.000 2.225 52 D HA 0.154 4.795 4.640 0.002 0.000 0.248 52 D C 1.130 177.437 176.300 0.011 0.000 1.096 52 D CA -0.206 53.800 54.000 0.011 0.000 0.863 52 D CB 1.645 42.452 40.800 0.012 0.000 1.156 52 D HN 0.098 nan 8.370 nan 0.000 0.450 53 G N 2.228 111.035 108.800 0.011 0.000 2.432 53 G HA2 -0.204 3.757 3.960 0.002 0.000 0.219 53 G HA3 -0.204 3.757 3.960 0.002 0.000 0.219 53 G C 1.379 176.284 174.900 0.008 0.000 1.135 53 G CA 0.634 45.741 45.100 0.011 0.000 0.767 53 G HN 0.460 nan 8.290 nan 0.000 0.550 54 V N 0.550 120.468 119.914 0.006 0.000 2.488 54 V HA -0.095 4.026 4.120 0.002 0.000 0.246 54 V C 2.965 179.061 176.094 0.003 0.000 1.046 54 V CA 2.384 64.685 62.300 0.001 0.000 1.053 54 V CB -0.176 31.644 31.823 -0.004 0.000 0.679 54 V HN 0.360 nan 8.190 nan 0.000 0.458 55 S N -0.050 115.654 115.700 0.007 0.000 2.353 55 S HA -0.186 4.285 4.470 0.002 0.000 0.222 55 S C 1.893 176.498 174.600 0.009 0.000 1.035 55 S CA 1.721 59.926 58.200 0.009 0.000 1.025 55 S CB -0.353 62.854 63.200 0.011 0.000 0.902 55 S HN 0.462 nan 8.310 nan 0.000 0.440 56 V N 1.941 121.860 119.914 0.009 0.000 2.490 56 V HA -0.193 3.928 4.120 0.002 0.000 0.250 56 V C 2.533 178.632 176.094 0.008 0.000 1.061 56 V CA 1.616 63.921 62.300 0.008 0.000 1.064 56 V CB -1.198 30.630 31.823 0.008 0.000 0.670 56 V HN 0.539 nan 8.190 nan 0.000 0.461 57 A N -0.157 122.667 122.820 0.007 0.000 1.872 57 A HA -0.162 4.158 4.320 0.002 0.000 0.214 57 A C 2.374 179.961 177.584 0.005 0.000 1.187 57 A CA 1.459 53.499 52.037 0.005 0.000 0.614 57 A CB -0.471 18.531 19.000 0.002 0.000 0.826 57 A HN 0.444 nan 8.150 nan 0.000 0.442 58 R N -0.221 120.282 120.500 0.005 0.000 2.127 58 R HA -0.102 4.239 4.340 0.002 0.000 0.238 58 R C 1.109 177.416 176.300 0.012 0.000 1.134 58 R CA 1.396 57.499 56.100 0.006 0.000 0.975 58 R CB -0.074 30.230 30.300 0.006 0.000 0.865 58 R HN 0.451 nan 8.270 nan 0.000 0.447 59 E N 0.043 120.252 120.200 0.016 0.000 2.479 59 E HA 0.056 4.407 4.350 0.002 0.000 0.193 59 E C 0.149 176.759 176.600 0.016 0.000 1.049 59 E CA 0.218 56.630 56.400 0.021 0.000 0.870 59 E CB 0.320 30.034 29.700 0.023 0.000 0.944 59 E HN 0.185 nan 8.360 nan 0.000 0.492 60 I N 1.306 121.883 120.570 0.011 0.000 2.396 60 I HA 0.323 4.494 4.170 0.002 0.000 0.292 60 I C 0.283 176.405 176.117 0.007 0.000 0.999 60 I CA -0.485 60.820 61.300 0.009 0.000 1.310 60 I CB 0.864 38.869 38.000 0.007 0.000 1.404 60 I HN -0.058 nan 8.210 nan 0.000 0.496 61 E N 5.644 125.848 120.200 0.007 0.000 2.415 61 E HA 0.281 4.632 4.350 0.002 0.000 0.302 61 E C -1.453 175.151 176.600 0.005 0.000 0.907 61 E CA -0.577 55.825 56.400 0.004 0.000 0.798 61 E CB 1.566 31.269 29.700 0.005 0.000 1.315 61 E HN 0.260 nan 8.360 nan 0.000 0.396 62 L N 2.623 123.849 121.223 0.005 0.000 2.598 62 L HA 0.253 4.594 4.340 0.002 0.000 0.202 62 L C 1.498 178.374 176.870 0.010 0.000 1.190 62 L CA 0.783 55.630 54.840 0.011 0.000 0.869 62 L CB 0.119 42.188 42.059 0.017 0.000 1.529 62 L HN 0.849 nan 8.230 nan 0.000 0.520 63 E N -0.970 119.240 120.200 0.016 0.000 2.434 63 E HA -0.047 4.304 4.350 0.002 0.000 0.207 63 E C 0.024 176.643 176.600 0.032 0.000 0.929 63 E CA -0.246 56.165 56.400 0.018 0.000 1.001 63 E CB 0.526 30.237 29.700 0.019 0.000 1.016 63 E HN 0.544 nan 8.360 nan 0.000 0.502 64 D N 1.567 121.996 120.400 0.048 0.000 2.346 64 D HA -0.046 4.595 4.640 0.002 0.000 0.267 64 D C 0.587 176.931 176.300 0.072 0.000 1.320 64 D CA 0.117 54.170 54.000 0.088 0.000 0.951 64 D CB 0.794 41.653 40.800 0.097 0.000 1.079 64 D HN 0.003 nan 8.370 nan 0.000 0.509 65 K N 3.373 123.795 120.400 0.038 0.000 2.288 65 K HA -0.086 4.235 4.320 0.002 0.000 0.201 65 K C 1.679 178.155 176.600 -0.207 0.000 1.048 65 K CA 0.570 56.789 56.287 -0.114 0.000 0.956 65 K CB -0.167 32.211 32.500 -0.203 0.000 0.746 65 K HN 0.470 nan 8.250 nan 0.000 0.461 66 F N 1.881 121.825 119.950 -0.009 0.000 2.206 66 F HA -0.040 4.488 4.527 0.001 0.000 0.298 66 F C 2.228 178.023 175.800 -0.009 0.000 1.090 66 F CA 0.954 58.946 58.000 -0.012 0.000 1.323 66 F CB -0.160 38.833 39.000 -0.012 0.000 1.028 66 F HN 0.071 nan 8.300 nan 0.000 0.492 67 E N -0.031 120.265 120.200 0.160 0.000 2.106 67 E HA -0.215 4.136 4.350 0.002 0.000 0.192 67 E C 1.651 178.273 176.600 0.037 0.000 0.984 67 E CA 1.144 57.594 56.400 0.083 0.000 0.806 67 E CB -0.428 29.313 29.700 0.069 0.000 0.750 67 E HN 0.326 nan 8.360 nan 0.000 0.458 68 N N 0.880 119.589 118.700 0.014 0.000 2.223 68 N HA -0.127 4.614 4.740 0.002 0.000 0.185 68 N C 1.763 177.255 175.510 -0.030 0.000 1.016 68 N CA 1.023 54.065 53.050 -0.014 0.000 0.863 68 N CB -0.011 38.458 38.487 -0.031 0.000 0.983 68 N HN 0.092 nan 8.380 nan 0.000 0.429 69 M N -0.896 118.676 119.600 -0.047 0.000 2.080 69 M HA -0.086 4.395 4.480 0.002 0.000 0.260 69 M C 2.162 178.452 176.300 -0.015 0.000 1.068 69 M CA 1.773 57.045 55.300 -0.047 0.000 1.109 69 M CB -0.645 31.916 32.600 -0.065 0.000 1.342 69 M HN 0.298 nan 8.290 nan 0.000 0.405 70 G N -0.190 108.614 108.800 0.006 0.000 2.421 70 G HA2 -0.141 3.820 3.960 0.002 0.000 0.216 70 G HA3 -0.141 3.820 3.960 0.002 0.000 0.216 70 G C 1.617 176.522 174.900 0.008 0.000 1.171 70 G CA 0.979 46.087 45.100 0.014 0.000 0.775 70 G HN 0.546 nan 8.290 nan 0.000 0.543 71 A N -0.105 122.719 122.820 0.007 0.000 1.940 71 A HA -0.100 4.221 4.320 0.002 0.000 0.219 71 A C 2.384 179.966 177.584 -0.003 0.000 1.176 71 A CA 1.973 54.012 52.037 0.004 0.000 0.631 71 A CB -0.362 18.640 19.000 0.005 0.000 0.814 71 A HN 0.340 nan 8.150 nan 0.000 0.446 72 Q N -0.861 118.933 119.800 -0.011 0.000 2.119 72 Q HA -0.091 4.250 4.340 0.002 0.000 0.201 72 Q C 2.195 178.185 176.000 -0.016 0.000 0.972 72 Q CA 1.497 57.290 55.803 -0.017 0.000 0.847 72 Q CB -0.357 28.366 28.738 -0.026 0.000 0.903 72 Q HN 0.786 nan 8.270 nan 0.000 0.433 73 M N 0.146 119.739 119.600 -0.012 0.000 2.117 73 M HA -0.142 4.338 4.480 0.002 0.000 0.262 73 M C 2.261 178.558 176.300 -0.004 0.000 1.065 73 M CA 1.373 56.668 55.300 -0.008 0.000 1.114 73 M CB -0.337 32.262 32.600 -0.002 0.000 1.361 73 M HN 0.111 nan 8.290 nan 0.000 0.408 74 V N -1.945 117.970 119.914 0.001 0.000 2.809 74 V HA -0.150 3.971 4.120 0.002 0.000 0.256 74 V C 2.068 178.160 176.094 -0.002 0.000 1.080 74 V CA 1.566 63.869 62.300 0.005 0.000 1.102 74 V CB -1.058 30.771 31.823 0.011 0.000 0.705 74 V HN 0.439 nan 8.190 nan 0.000 0.475 75 K N 0.052 120.447 120.400 -0.007 0.000 2.097 75 K HA -0.204 4.117 4.320 0.002 0.000 0.206 75 K C 2.332 178.917 176.600 -0.025 0.000 1.049 75 K CA 1.587 57.867 56.287 -0.013 0.000 0.933 75 K CB -0.122 32.371 32.500 -0.012 0.000 0.717 75 K HN 0.517 nan 8.250 nan 0.000 0.442 76 E N 0.551 120.732 120.200 -0.031 0.000 2.017 76 E HA -0.162 4.189 4.350 0.002 0.000 0.193 76 E C 1.974 178.534 176.600 -0.066 0.000 0.997 76 E CA 1.033 57.403 56.400 -0.051 0.000 0.804 76 E CB -0.372 29.301 29.700 -0.045 0.000 0.757 76 E HN 0.131 nan 8.360 nan 0.000 0.448 77 V N 1.108 120.999 119.914 -0.038 0.000 2.490 77 V HA -0.242 3.878 4.120 0.002 0.000 0.250 77 V C 2.269 178.350 176.094 -0.022 0.000 1.061 77 V CA 1.888 64.173 62.300 -0.025 0.000 1.064 77 V CB -0.510 31.330 31.823 0.028 0.000 0.670 77 V HN 0.348 nan 8.190 nan 0.000 0.461 78 A N -1.509 121.301 122.820 -0.017 0.000 1.969 78 A HA -0.183 4.138 4.320 0.002 0.000 0.218 78 A C 2.512 180.079 177.584 -0.029 0.000 1.169 78 A CA 2.052 54.083 52.037 -0.010 0.000 0.635 78 A CB -0.661 18.337 19.000 -0.004 0.000 0.810 78 A HN 0.527 nan 8.150 nan 0.000 0.445 79 S N -0.623 115.043 115.700 -0.057 0.000 2.371 79 S HA -0.103 4.368 4.470 0.002 0.000 0.224 79 S C 1.949 176.479 174.600 -0.117 0.000 1.029 79 S CA 1.220 59.376 58.200 -0.073 0.000 0.978 79 S CB -0.209 62.944 63.200 -0.078 0.000 0.833 79 S HN 0.455 nan 8.310 nan 0.000 0.466 80 K N 1.737 122.012 120.400 -0.209 0.000 2.281 80 K HA 0.065 4.386 4.320 0.002 0.000 0.203 80 K C 2.087 178.582 176.600 -0.175 0.000 1.046 80 K CA 1.024 57.071 56.287 -0.399 0.000 0.938 80 K CB -0.909 31.002 32.500 -0.981 0.000 0.737 80 K HN 0.442 nan 8.250 nan 0.000 0.458 81 A N 2.087 124.892 122.820 -0.025 0.000 1.845 81 A HA -0.198 4.123 4.320 0.002 0.000 0.215 81 A C 2.149 179.749 177.584 0.027 0.000 1.195 81 A CA 1.751 53.823 52.037 0.057 0.000 0.616 81 A CB -0.620 18.413 19.000 0.056 0.000 0.832 81 A HN 0.395 nan 8.150 nan 0.000 0.443 82 N N -0.433 118.267 118.700 -0.001 0.000 2.396 82 N HA -0.139 4.602 4.740 0.002 0.000 0.180 82 N C 0.711 176.208 175.510 -0.022 0.000 1.028 82 N CA 1.301 54.351 53.050 0.001 0.000 0.893 82 N CB -0.177 38.312 38.487 0.003 0.000 0.967 82 N HN 0.414 nan 8.380 nan 0.000 0.440 83 D N 0.292 120.661 120.400 -0.052 0.000 2.162 83 D HA -0.020 4.621 4.640 0.002 0.000 0.203 83 D C 1.547 177.815 176.300 -0.053 0.000 0.967 83 D CA 0.800 54.756 54.000 -0.074 0.000 0.840 83 D CB 0.015 40.748 40.800 -0.111 0.000 0.972 83 D HN 0.343 nan 8.370 nan 0.000 0.482 84 A N -0.020 122.796 122.820 -0.006 0.000 1.997 84 A HA 0.473 4.793 4.320 0.002 0.000 0.212 84 A C 1.783 179.398 177.584 0.051 0.000 1.178 84 A CA 1.232 53.306 52.037 0.061 0.000 0.698 84 A CB 0.427 19.561 19.000 0.224 0.000 0.842 84 A HN 0.204 nan 8.150 nan 0.000 0.458 85 A N -3.566 119.283 122.820 0.048 0.000 2.644 85 A HA 0.493 4.814 4.320 0.002 0.000 0.193 85 A C 1.571 179.183 177.584 0.047 0.000 1.464 85 A CA 1.115 53.181 52.037 0.048 0.000 1.095 85 A CB -0.216 18.822 19.000 0.063 0.000 1.405 85 A HN 1.886 nan 8.150 nan 0.000 0.558 86 G N 0.178 109.003 108.800 0.042 0.000 3.922 86 G HA2 -0.247 3.714 3.960 0.002 0.000 0.208 86 G HA3 -0.247 3.714 3.960 0.002 0.000 0.208 86 G C 0.163 175.090 174.900 0.044 0.000 1.491 86 G CA 0.457 45.589 45.100 0.054 0.000 1.017 86 G HN 0.690 nan 8.290 nan 0.000 0.603 87 D N 1.101 121.527 120.400 0.042 0.000 2.423 87 D HA 0.527 5.168 4.640 0.002 0.000 0.255 87 D C 1.358 177.680 176.300 0.037 0.000 1.174 87 D CA 1.315 55.336 54.000 0.035 0.000 1.008 87 D CB 0.647 41.466 40.800 0.031 0.000 1.101 87 D HN 1.747 nan 8.370 nan 0.000 0.516 88 G N -0.183 108.637 108.800 0.033 0.000 2.131 88 G HA2 -0.290 3.671 3.960 0.002 0.000 0.223 88 G HA3 -0.290 3.671 3.960 0.002 0.000 0.223 88 G C 1.036 175.958 174.900 0.037 0.000 0.990 88 G CA 1.233 46.355 45.100 0.036 0.000 0.671 88 G HN 0.677 nan 8.290 nan 0.000 0.521 89 T N -2.381 112.190 114.554 0.029 0.000 2.652 89 T HA -0.164 4.187 4.350 0.002 0.000 0.267 89 T C 2.244 176.958 174.700 0.023 0.000 1.039 89 T CA 2.683 64.797 62.100 0.023 0.000 1.153 89 T CB -0.798 68.079 68.868 0.015 0.000 0.863 89 T HN 0.366 nan 8.240 nan 0.000 0.428 90 T N 1.881 116.447 114.554 0.021 0.000 2.746 90 T HA -0.099 4.252 4.350 0.002 0.000 0.267 90 T C 2.273 176.987 174.700 0.025 0.000 1.039 90 T CA 1.873 63.985 62.100 0.020 0.000 1.142 90 T CB -1.023 67.856 68.868 0.018 0.000 0.866 90 T HN 0.576 nan 8.240 nan 0.000 0.444 91 T N 2.212 116.783 114.554 0.028 0.000 2.684 91 T HA -0.080 4.271 4.350 0.002 0.000 0.267 91 T C 2.435 177.156 174.700 0.036 0.000 1.036 91 T CA 1.253 63.372 62.100 0.030 0.000 1.148 91 T CB -0.668 68.219 68.868 0.031 0.000 0.863 91 T HN 0.446 nan 8.240 nan 0.000 0.436 92 A N 1.508 124.355 122.820 0.046 0.000 1.908 92 A HA -0.159 4.162 4.320 0.002 0.000 0.218 92 A C 2.577 180.189 177.584 0.046 0.000 1.181 92 A CA 2.218 54.291 52.037 0.059 0.000 0.627 92 A CB -1.351 17.696 19.000 0.080 0.000 0.818 92 A HN 0.509 nan 8.150 nan 0.000 0.445 93 T N -0.473 114.102 114.554 0.035 0.000 2.708 93 T HA -0.113 4.238 4.350 0.002 0.000 0.266 93 T C 1.843 176.558 174.700 0.026 0.000 1.037 93 T CA 1.551 63.667 62.100 0.027 0.000 1.146 93 T CB -0.474 68.406 68.868 0.021 0.000 0.865 93 T HN 0.141 nan 8.240 nan 0.000 0.435 94 V N 1.347 121.277 119.914 0.025 0.000 2.490 94 V HA -0.083 4.038 4.120 0.002 0.000 0.250 94 V C 2.420 178.529 176.094 0.024 0.000 1.061 94 V CA 1.322 63.636 62.300 0.023 0.000 1.064 94 V CB -0.631 31.205 31.823 0.022 0.000 0.670 94 V HN 0.423 nan 8.190 nan 0.000 0.461 95 L N -0.261 120.978 121.223 0.027 0.000 2.044 95 L HA -0.087 4.253 4.340 0.002 0.000 0.205 95 L C 2.745 179.631 176.870 0.027 0.000 1.075 95 L CA 1.494 56.350 54.840 0.027 0.000 0.747 95 L CB -0.809 41.267 42.059 0.029 0.000 0.903 95 L HN 0.336 nan 8.230 nan 0.000 0.435 96 A N 0.792 123.631 122.820 0.032 0.000 1.858 96 A HA -0.290 4.031 4.320 0.002 0.000 0.216 96 A C 2.201 179.801 177.584 0.026 0.000 1.190 96 A CA 1.983 54.039 52.037 0.032 0.000 0.617 96 A CB -0.737 18.286 19.000 0.037 0.000 0.827 96 A HN 0.587 nan 8.150 nan 0.000 0.443 97 Q N -0.109 119.705 119.800 0.023 0.000 2.135 97 Q HA 0.025 4.366 4.340 0.002 0.000 0.204 97 Q C 1.880 177.892 176.000 0.019 0.000 0.981 97 Q CA 2.202 58.017 55.803 0.020 0.000 0.856 97 Q CB -0.746 28.004 28.738 0.019 0.000 0.902 97 Q HN 0.495 nan 8.270 nan 0.000 0.425 98 A N 1.131 123.962 122.820 0.019 0.000 1.873 98 A HA -0.040 4.281 4.320 0.002 0.000 0.215 98 A C 2.214 179.808 177.584 0.017 0.000 1.186 98 A CA 1.370 53.418 52.037 0.017 0.000 0.616 98 A CB -0.658 18.353 19.000 0.017 0.000 0.823 98 A HN 0.422 nan 8.150 nan 0.000 0.442 99 I N -0.310 120.271 120.570 0.018 0.000 2.286 99 I HA -0.244 3.927 4.170 0.002 0.000 0.248 99 I C 2.245 178.373 176.117 0.017 0.000 1.115 99 I CA 1.122 62.432 61.300 0.017 0.000 1.392 99 I CB -0.368 37.642 38.000 0.018 0.000 1.065 99 I HN 0.298 nan 8.210 nan 0.000 0.418 100 I N 0.395 120.977 120.570 0.019 0.000 2.142 100 I HA -0.276 3.895 4.170 0.002 0.000 0.240 100 I C 2.590 178.717 176.117 0.018 0.000 1.078 100 I CA 1.672 62.984 61.300 0.019 0.000 1.343 100 I CB -0.611 37.401 38.000 0.021 0.000 1.046 100 I HN 0.196 nan 8.210 nan 0.000 0.405 101 T N 0.075 114.639 114.554 0.017 0.000 2.708 101 T HA -0.147 4.204 4.350 0.002 0.000 0.266 101 T C 1.787 176.495 174.700 0.014 0.000 1.037 101 T CA 1.244 63.353 62.100 0.016 0.000 1.146 101 T CB -0.165 68.712 68.868 0.015 0.000 0.865 101 T HN 0.270 nan 8.240 nan 0.000 0.435 102 E N 0.512 120.720 120.200 0.014 0.000 2.216 102 E HA 0.068 4.419 4.350 0.002 0.000 0.192 102 E C 2.441 179.049 176.600 0.012 0.000 0.988 102 E CA 0.660 57.068 56.400 0.012 0.000 0.834 102 E CB -0.553 29.154 29.700 0.012 0.000 0.772 102 E HN 0.570 nan 8.360 nan 0.000 0.479 103 G N 0.902 109.710 108.800 0.013 0.000 2.411 103 G HA2 -0.121 3.840 3.960 0.002 0.000 0.213 103 G HA3 -0.121 3.840 3.960 0.002 0.000 0.213 103 G C 1.709 176.617 174.900 0.014 0.000 1.166 103 G CA 0.014 45.122 45.100 0.013 0.000 0.802 103 G HN 0.145 nan 8.290 nan 0.000 0.533 104 L N 0.246 121.478 121.223 0.015 0.000 2.131 104 L HA -0.045 4.296 4.340 0.002 0.000 0.210 104 L C 2.795 179.673 176.870 0.014 0.000 1.092 104 L CA 1.269 56.119 54.840 0.016 0.000 0.759 104 L CB -0.275 41.794 42.059 0.018 0.000 0.903 104 L HN 0.215 nan 8.230 nan 0.000 0.435 105 K N 0.427 120.835 120.400 0.013 0.000 2.063 105 K HA -0.211 4.110 4.320 0.002 0.000 0.208 105 K C 2.113 178.720 176.600 0.010 0.000 1.048 105 K CA 1.451 57.744 56.287 0.011 0.000 0.928 105 K CB -0.054 32.452 32.500 0.010 0.000 0.713 105 K HN 0.292 nan 8.250 nan 0.000 0.442 106 A N 0.469 123.296 122.820 0.011 0.000 1.930 106 A HA -0.075 4.246 4.320 0.002 0.000 0.217 106 A C 2.189 179.780 177.584 0.011 0.000 1.175 106 A CA 1.301 53.344 52.037 0.010 0.000 0.627 106 A CB -0.452 18.554 19.000 0.010 0.000 0.815 106 A HN 0.163 nan 8.150 nan 0.000 0.443 107 V N -0.070 119.852 119.914 0.013 0.000 2.343 107 V HA -0.263 3.858 4.120 0.002 0.000 0.247 107 V C 3.030 179.133 176.094 0.014 0.000 1.051 107 V CA 1.970 64.279 62.300 0.015 0.000 1.036 107 V CB -1.159 30.674 31.823 0.018 0.000 0.654 107 V HN 0.605 nan 8.190 nan 0.000 0.451 108 A N -0.155 122.673 122.820 0.013 0.000 1.930 108 A HA -0.037 4.284 4.320 0.002 0.000 0.217 108 A C 2.411 180.000 177.584 0.009 0.000 1.175 108 A CA 1.796 53.840 52.037 0.011 0.000 0.627 108 A CB -0.667 18.339 19.000 0.011 0.000 0.815 108 A HN 0.561 nan 8.150 nan 0.000 0.443 109 A N -1.673 121.153 122.820 0.009 0.000 1.933 109 A HA 0.301 4.622 4.320 0.002 0.000 0.218 109 A C 1.916 179.504 177.584 0.007 0.000 1.175 109 A CA 1.992 54.034 52.037 0.007 0.000 0.628 109 A CB -0.732 18.272 19.000 0.007 0.000 0.814 109 A HN 1.844 nan 8.150 nan 0.000 0.444 110 G N -3.303 105.502 108.800 0.009 0.000 2.173 110 G HA2 -0.059 3.902 3.960 0.002 0.000 0.142 110 G HA3 -0.059 3.902 3.960 0.002 0.000 0.142 110 G C -0.089 174.817 174.900 0.009 0.000 1.019 110 G CA -0.012 45.094 45.100 0.009 0.000 0.699 110 G HN 0.229 nan 8.290 nan 0.000 0.495 111 M N 1.409 121.015 119.600 0.009 0.000 2.238 111 M HA 0.348 4.829 4.480 0.002 0.000 0.347 111 M C 0.667 176.973 176.300 0.011 0.000 1.173 111 M CA -0.669 54.637 55.300 0.009 0.000 1.147 111 M CB 0.470 33.075 32.600 0.008 0.000 1.547 111 M HN 0.234 nan 8.290 nan 0.000 0.455 112 N N 4.168 122.875 118.700 0.011 0.000 2.411 112 N HA 0.024 4.765 4.740 0.002 0.000 0.265 112 N C -2.011 173.507 175.510 0.014 0.000 1.266 112 N CA -1.199 51.859 53.050 0.013 0.000 0.889 112 N CB 0.579 39.073 38.487 0.011 0.000 1.069 112 N HN 0.292 nan 8.380 nan 0.000 0.476 113 P HA -0.171 nan 4.420 nan 0.000 0.217 113 P C 1.165 178.474 177.300 0.015 0.000 1.148 113 P CA 1.329 64.440 63.100 0.017 0.000 0.834 113 P CB 0.144 31.856 31.700 0.021 0.000 0.783 114 M N -1.383 118.226 119.600 0.015 0.000 2.388 114 M HA -0.028 4.453 4.480 0.002 0.000 0.265 114 M C 1.355 177.661 176.300 0.011 0.000 1.088 114 M CA 1.497 56.805 55.300 0.013 0.000 1.134 114 M CB -0.611 31.997 32.600 0.014 0.000 1.384 114 M HN -0.212 nan 8.290 nan 0.000 0.447 115 D N -0.573 119.833 120.400 0.010 0.000 2.213 115 D HA -0.003 4.638 4.640 0.002 0.000 0.205 115 D C 1.978 178.282 176.300 0.008 0.000 0.961 115 D CA 0.883 54.887 54.000 0.008 0.000 0.853 115 D CB 0.067 40.872 40.800 0.007 0.000 0.967 115 D HN 0.323 nan 8.370 nan 0.000 0.496 116 L N 1.159 122.388 121.223 0.009 0.000 2.013 116 L HA -0.213 4.128 4.340 0.002 0.000 0.212 116 L C 2.606 179.481 176.870 0.009 0.000 1.073 116 L CA 1.301 56.146 54.840 0.009 0.000 0.753 116 L CB -0.365 41.701 42.059 0.011 0.000 0.890 116 L HN -0.032 nan 8.230 nan 0.000 0.432 117 K N 0.417 120.823 120.400 0.010 0.000 2.009 117 K HA -0.225 4.096 4.320 0.002 0.000 0.210 117 K C 2.275 178.879 176.600 0.007 0.000 1.049 117 K CA 1.636 57.928 56.287 0.009 0.000 0.929 117 K CB -0.050 32.456 32.500 0.011 0.000 0.714 117 K HN 0.171 nan 8.250 nan 0.000 0.440 118 R N -0.533 119.971 120.500 0.006 0.000 2.127 118 R HA -0.113 4.228 4.340 0.002 0.000 0.238 118 R C 2.399 178.701 176.300 0.003 0.000 1.134 118 R CA 1.310 57.412 56.100 0.004 0.000 0.975 118 R CB -0.399 29.903 30.300 0.004 0.000 0.865 118 R HN 0.412 nan 8.270 nan 0.000 0.447 119 G N 0.812 109.614 108.800 0.003 0.000 2.394 119 G HA2 -0.177 3.784 3.960 0.002 0.000 0.215 119 G HA3 -0.177 3.784 3.960 0.002 0.000 0.215 119 G C 1.421 176.322 174.900 0.002 0.000 1.165 119 G CA 0.364 45.465 45.100 0.003 0.000 0.784 119 G HN 0.138 nan 8.290 nan 0.000 0.535 120 I N 1.144 121.715 120.570 0.003 0.000 2.179 120 I HA -0.153 4.018 4.170 0.002 0.000 0.242 120 I C 2.374 178.489 176.117 -0.003 0.000 1.088 120 I CA 1.243 62.544 61.300 0.002 0.000 1.357 120 I CB -0.231 37.772 38.000 0.005 0.000 1.051 120 I HN 0.045 nan 8.210 nan 0.000 0.409 121 D N 1.034 121.433 120.400 -0.002 0.000 2.103 121 D HA -0.262 4.379 4.640 0.002 0.000 0.190 121 D C 2.063 178.358 176.300 -0.008 0.000 0.997 121 D CA 1.510 55.507 54.000 -0.006 0.000 0.833 121 D CB -0.354 40.445 40.800 -0.003 0.000 0.961 121 D HN 0.285 nan 8.370 nan 0.000 0.447 122 K N 0.544 120.941 120.400 -0.005 0.000 2.097 122 K HA -0.093 4.228 4.320 0.002 0.000 0.206 122 K C 2.000 178.595 176.600 -0.007 0.000 1.049 122 K CA 1.255 57.538 56.287 -0.006 0.000 0.933 122 K CB -0.040 32.458 32.500 -0.003 0.000 0.717 122 K HN 0.051 nan 8.250 nan 0.000 0.442 123 A N 0.531 123.347 122.820 -0.006 0.000 1.930 123 A HA -0.086 4.235 4.320 0.002 0.000 0.217 123 A C 2.196 179.773 177.584 -0.011 0.000 1.175 123 A CA 1.423 53.456 52.037 -0.006 0.000 0.627 123 A CB -0.524 18.474 19.000 -0.003 0.000 0.815 123 A HN 0.162 nan 8.150 nan 0.000 0.443 124 V N -0.094 119.810 119.914 -0.016 0.000 2.261 124 V HA -0.257 3.864 4.120 0.002 0.000 0.246 124 V C 2.775 178.851 176.094 -0.029 0.000 1.047 124 V CA 2.566 64.850 62.300 -0.027 0.000 1.015 124 V CB -1.373 30.430 31.823 -0.034 0.000 0.642 124 V HN 0.618 nan 8.190 nan 0.000 0.446 125 T N 0.543 115.083 114.554 -0.024 0.000 2.635 125 T HA -0.250 4.101 4.350 0.002 0.000 0.267 125 T C 2.045 176.735 174.700 -0.018 0.000 1.040 125 T CA 1.899 63.986 62.100 -0.022 0.000 1.156 125 T CB -0.557 68.301 68.868 -0.016 0.000 0.863 125 T HN 0.587 nan 8.240 nan 0.000 0.430 126 A N 1.513 124.325 122.820 -0.013 0.000 1.858 126 A HA 0.142 4.463 4.320 0.002 0.000 0.216 126 A C 2.685 180.262 177.584 -0.011 0.000 1.190 126 A CA 1.978 54.009 52.037 -0.010 0.000 0.617 126 A CB -1.230 17.766 19.000 -0.007 0.000 0.827 126 A HN 0.529 nan 8.150 nan 0.000 0.443 127 A N -0.746 122.067 122.820 -0.013 0.000 1.933 127 A HA 0.040 4.361 4.320 0.002 0.000 0.218 127 A C 2.238 179.811 177.584 -0.018 0.000 1.175 127 A CA 1.689 53.718 52.037 -0.012 0.000 0.628 127 A CB -0.893 18.100 19.000 -0.013 0.000 0.814 127 A HN 0.365 nan 8.150 nan 0.000 0.444 128 V N 0.400 120.298 119.914 -0.026 0.000 2.255 128 V HA -0.219 3.902 4.120 0.002 0.000 0.247 128 V C 2.505 178.586 176.094 -0.022 0.000 1.051 128 V CA 2.229 64.509 62.300 -0.033 0.000 1.018 128 V CB -0.613 31.183 31.823 -0.046 0.000 0.641 128 V HN 0.553 nan 8.190 nan 0.000 0.445 129 E N -0.625 119.565 120.200 -0.018 0.000 2.216 129 E HA -0.115 4.236 4.350 0.002 0.000 0.192 129 E C 2.203 178.798 176.600 -0.007 0.000 0.988 129 E CA 0.414 56.807 56.400 -0.012 0.000 0.834 129 E CB -0.153 29.540 29.700 -0.011 0.000 0.772 129 E HN 0.612 nan 8.360 nan 0.000 0.479 130 E N 0.801 120.997 120.200 -0.007 0.000 2.106 130 E HA -0.086 4.265 4.350 0.002 0.000 0.192 130 E C 2.301 178.900 176.600 -0.001 0.000 0.984 130 E CA 0.439 56.838 56.400 -0.003 0.000 0.806 130 E CB -0.092 29.607 29.700 -0.002 0.000 0.750 130 E HN 0.287 nan 8.360 nan 0.000 0.458 131 L N 0.583 121.804 121.223 -0.004 0.000 2.141 131 L HA -0.174 4.167 4.340 0.002 0.000 0.209 131 L C 2.297 179.166 176.870 -0.002 0.000 1.094 131 L CA 0.946 55.784 54.840 -0.003 0.000 0.763 131 L CB -0.161 41.894 42.059 -0.007 0.000 0.908 131 L HN -0.022 nan 8.230 nan 0.000 0.437 132 K N 0.253 120.650 120.400 -0.005 0.000 2.057 132 K HA -0.074 4.247 4.320 0.002 0.000 0.206 132 K C 2.191 178.791 176.600 0.001 0.000 1.050 132 K CA 1.363 57.649 56.287 -0.002 0.000 0.935 132 K CB -0.511 31.986 32.500 -0.004 0.000 0.715 132 K HN 0.230 nan 8.250 nan 0.000 0.439 133 A N 0.186 123.007 122.820 0.001 0.000 1.933 133 A HA -0.122 4.199 4.320 0.002 0.000 0.218 133 A C 1.771 179.358 177.584 0.005 0.000 1.175 133 A CA 1.392 53.430 52.037 0.003 0.000 0.628 133 A CB -0.432 18.569 19.000 0.002 0.000 0.814 133 A HN 0.172 nan 8.150 nan 0.000 0.444 134 L N -0.313 120.914 121.223 0.006 0.000 2.599 134 L HA 0.157 4.497 4.340 0.002 0.000 0.230 134 L C 1.254 178.130 176.870 0.009 0.000 1.141 134 L CA 0.508 55.353 54.840 0.009 0.000 0.877 134 L CB -0.265 41.801 42.059 0.011 0.000 1.009 134 L HN 0.206 nan 8.230 nan 0.000 0.447 135 S N -0.787 114.918 115.700 0.007 0.000 2.528 135 S HA 0.129 4.600 4.470 0.002 0.000 0.277 135 S C 1.390 175.995 174.600 0.008 0.000 1.297 135 S CA -0.311 57.893 58.200 0.007 0.000 1.052 135 S CB 1.113 64.317 63.200 0.005 0.000 0.917 135 S HN 0.189 nan 8.310 nan 0.000 0.492 136 V N 4.452 124.371 119.914 0.009 0.000 3.444 136 V HA 0.114 4.235 4.120 0.002 0.000 0.271 136 V C -0.861 175.238 176.094 0.008 0.000 1.188 136 V CA 0.165 62.471 62.300 0.009 0.000 1.168 136 V CB -1.899 29.930 31.823 0.009 0.000 0.810 136 V HN 0.649 nan 8.190 nan 0.000 0.500 137 P HA -0.038 nan 4.420 nan 0.000 0.210 137 P C 0.690 177.994 177.300 0.008 0.000 1.185 137 P CA 1.532 64.636 63.100 0.007 0.000 0.924 137 P CB -0.039 31.666 31.700 0.007 0.000 0.786 138 C N -4.153 115.152 119.300 0.008 0.000 3.285 138 C HA 0.665 5.126 4.460 0.002 0.000 0.325 138 C C 0.760 175.755 174.990 0.007 0.000 1.304 138 C CA 0.616 59.639 59.018 0.008 0.000 1.319 138 C CB 0.927 28.672 27.740 0.009 0.000 1.640 138 C HN 0.319 nan 8.230 nan 0.000 0.477 139 S N 0.787 116.491 115.700 0.006 0.000 3.299 139 S HA 0.149 4.620 4.470 0.002 0.000 0.213 139 S C -0.569 174.034 174.600 0.004 0.000 0.997 139 S CA 0.767 58.970 58.200 0.005 0.000 1.189 139 S CB -0.531 62.672 63.200 0.005 0.000 1.106 139 S HN 1.032 nan 8.310 nan 0.000 0.403 140 D N 1.078 121.481 120.400 0.004 0.000 2.385 140 D HA 0.485 5.126 4.640 0.002 0.000 0.254 140 D C 0.693 176.994 176.300 0.002 0.000 1.053 140 D CA 0.018 54.020 54.000 0.003 0.000 0.992 140 D CB 1.432 42.234 40.800 0.003 0.000 1.145 140 D HN 0.131 nan 8.370 nan 0.000 0.523 141 S N 0.006 115.706 115.700 0.001 0.000 2.419 141 S HA -0.148 4.323 4.470 0.002 0.000 0.233 141 S C 1.635 176.235 174.600 -0.000 0.000 1.016 141 S CA 0.863 59.063 58.200 -0.000 0.000 0.974 141 S CB -0.195 63.004 63.200 -0.001 0.000 0.786 141 S HN 0.585 nan 8.310 nan 0.000 0.492 142 K N 1.661 122.061 120.400 0.000 0.000 2.026 142 K HA -0.080 4.241 4.320 0.002 0.000 0.208 142 K C 2.302 178.902 176.600 0.001 0.000 1.048 142 K CA 1.236 57.522 56.287 -0.000 0.000 0.929 142 K CB -0.382 32.118 32.500 0.000 0.000 0.713 142 K HN 0.305 nan 8.250 nan 0.000 0.439 143 A N 1.630 124.452 122.820 0.003 0.000 1.908 143 A HA -0.162 4.159 4.320 0.002 0.000 0.218 143 A C 2.025 179.612 177.584 0.004 0.000 1.181 143 A CA 1.417 53.456 52.037 0.004 0.000 0.627 143 A CB -0.523 18.480 19.000 0.006 0.000 0.818 143 A HN 0.293 nan 8.150 nan 0.000 0.445 144 I N 0.126 120.698 120.570 0.003 0.000 2.099 144 I HA -0.271 3.900 4.170 0.002 0.000 0.239 144 I C 2.991 179.108 176.117 0.000 0.000 1.066 144 I CA 1.565 62.867 61.300 0.002 0.000 1.324 144 I CB -1.772 36.228 38.000 0.001 0.000 1.037 144 I HN 0.364 nan 8.210 nan 0.000 0.401 145 A N 0.046 122.865 122.820 -0.001 0.000 1.908 145 A HA -0.301 4.020 4.320 0.002 0.000 0.218 145 A C 2.320 179.903 177.584 -0.003 0.000 1.181 145 A CA 2.177 54.212 52.037 -0.003 0.000 0.627 145 A CB -0.766 18.232 19.000 -0.004 0.000 0.818 145 A HN 0.503 nan 8.150 nan 0.000 0.445 146 Q N -0.220 119.580 119.800 -0.001 0.000 2.030 146 Q HA -0.137 4.204 4.340 0.002 0.000 0.204 146 Q C 1.875 177.876 176.000 0.002 0.000 0.986 146 Q CA 2.491 58.294 55.803 -0.000 0.000 0.843 146 Q CB -0.495 28.244 28.738 0.001 0.000 0.904 146 Q HN 0.340 nan 8.270 nan 0.000 0.420 147 V N 0.182 120.099 119.914 0.005 0.000 2.515 147 V HA -0.163 3.958 4.120 0.002 0.000 0.250 147 V C 2.175 178.274 176.094 0.007 0.000 1.058 147 V CA 1.693 63.998 62.300 0.008 0.000 1.064 147 V CB -1.235 30.595 31.823 0.012 0.000 0.675 147 V HN 0.627 nan 8.190 nan 0.000 0.461 148 G N 0.597 109.398 108.800 0.002 0.000 2.418 148 G HA2 -0.297 3.664 3.960 0.002 0.000 0.217 148 G HA3 -0.297 3.664 3.960 0.002 0.000 0.217 148 G C 1.806 176.705 174.900 -0.002 0.000 1.158 148 G CA 1.755 46.855 45.100 -0.002 0.000 0.771 148 G HN 0.579 nan 8.290 nan 0.000 0.545 149 T N -0.640 113.912 114.554 -0.003 0.000 2.812 149 T HA 0.077 4.428 4.350 0.002 0.000 0.264 149 T C 2.406 177.105 174.700 -0.001 0.000 1.042 149 T CA 0.969 63.067 62.100 -0.004 0.000 1.140 149 T CB -0.219 68.646 68.868 -0.006 0.000 0.870 149 T HN 0.232 nan 8.240 nan 0.000 0.445 150 I N 1.306 121.877 120.570 0.002 0.000 2.233 150 I HA -0.074 4.097 4.170 0.002 0.000 0.243 150 I C 2.910 179.032 176.117 0.009 0.000 1.093 150 I CA 1.225 62.528 61.300 0.005 0.000 1.380 150 I CB -0.379 37.625 38.000 0.007 0.000 1.067 150 I HN 0.307 nan 8.210 nan 0.000 0.413 151 S N 0.355 116.062 115.700 0.012 0.000 2.555 151 S HA 0.069 4.540 4.470 0.002 0.000 0.230 151 S C 1.572 176.179 174.600 0.012 0.000 0.978 151 S CA 0.852 59.062 58.200 0.016 0.000 0.934 151 S CB -0.110 63.103 63.200 0.023 0.000 0.766 151 S HN 0.431 nan 8.310 nan 0.000 0.533 152 A N 1.074 123.897 122.820 0.005 0.000 2.423 152 A HA 0.388 4.709 4.320 0.002 0.000 0.246 152 A C 0.913 178.497 177.584 0.001 0.000 1.278 152 A CA 0.076 52.114 52.037 0.002 0.000 0.903 152 A CB -0.510 18.488 19.000 -0.003 0.000 0.997 152 A HN 0.663 nan 8.150 nan 0.000 0.510 153 N N -1.429 117.273 118.700 0.003 0.000 2.863 153 N HA -0.245 4.496 4.740 0.002 0.000 0.245 153 N C 0.196 175.705 175.510 -0.002 0.000 1.001 153 N CA 1.070 54.122 53.050 0.002 0.000 0.901 153 N CB -0.825 37.663 38.487 0.003 0.000 1.124 153 N HN 0.427 nan 8.380 nan 0.000 0.582 154 S N -1.421 114.277 115.700 -0.004 0.000 3.765 154 S HA -0.097 4.374 4.470 0.002 0.000 0.144 154 S C -0.704 173.890 174.600 -0.009 0.000 1.018 154 S CA 0.114 58.309 58.200 -0.008 0.000 0.953 154 S CB -0.528 62.665 63.200 -0.012 0.000 0.856 154 S HN 0.477 nan 8.310 nan 0.000 0.721 155 D N 2.764 123.160 120.400 -0.007 0.000 2.349 155 D HA 0.146 4.787 4.640 0.002 0.000 0.266 155 D C 1.041 177.335 176.300 -0.009 0.000 1.293 155 D CA 0.468 54.463 54.000 -0.008 0.000 0.926 155 D CB 0.521 41.316 40.800 -0.007 0.000 1.090 155 D HN 0.459 nan 8.370 nan 0.000 0.502 156 E N 1.374 121.568 120.200 -0.010 0.000 2.265 156 E HA -0.167 4.184 4.350 0.002 0.000 0.196 156 E C 1.825 178.419 176.600 -0.010 0.000 0.996 156 E CA 1.247 57.641 56.400 -0.011 0.000 0.832 156 E CB 0.143 29.836 29.700 -0.012 0.000 0.756 156 E HN 0.658 nan 8.360 nan 0.000 0.491 157 T N -1.258 113.289 114.554 -0.010 0.000 2.737 157 T HA -0.114 4.237 4.350 0.002 0.000 0.265 157 T C 2.135 176.828 174.700 -0.011 0.000 1.038 157 T CA 1.103 63.197 62.100 -0.010 0.000 1.144 157 T CB -0.609 68.253 68.868 -0.010 0.000 0.866 157 T HN -0.014 nan 8.240 nan 0.000 0.434 158 V N 2.090 121.997 119.914 -0.011 0.000 2.407 158 V HA 0.005 4.126 4.120 0.002 0.000 0.248 158 V C 3.103 179.190 176.094 -0.012 0.000 1.055 158 V CA 1.736 64.028 62.300 -0.013 0.000 1.049 158 V CB -1.632 30.184 31.823 -0.012 0.000 0.662 158 V HN 0.700 nan 8.190 nan 0.000 0.455 159 G N -0.341 108.453 108.800 -0.009 0.000 2.433 159 G HA2 -0.309 3.652 3.960 0.002 0.000 0.216 159 G HA3 -0.309 3.652 3.960 0.002 0.000 0.216 159 G C 1.656 176.551 174.900 -0.009 0.000 1.186 159 G CA 1.099 46.194 45.100 -0.008 0.000 0.779 159 G HN 0.479 nan 8.290 nan 0.000 0.543 160 K N -0.623 119.772 120.400 -0.009 0.000 2.097 160 K HA 0.011 4.332 4.320 0.002 0.000 0.205 160 K C 2.507 179.101 176.600 -0.010 0.000 1.050 160 K CA 0.594 56.876 56.287 -0.009 0.000 0.938 160 K CB -0.198 32.297 32.500 -0.009 0.000 0.718 160 K HN 0.187 nan 8.250 nan 0.000 0.442 161 L N 1.266 122.482 121.223 -0.012 0.000 1.970 161 L HA -0.191 4.150 4.340 0.002 0.000 0.212 161 L C 2.142 179.004 176.870 -0.014 0.000 1.071 161 L CA 1.690 56.522 54.840 -0.014 0.000 0.751 161 L CB -0.475 41.575 42.059 -0.016 0.000 0.889 161 L HN 0.220 nan 8.230 nan 0.000 0.432 162 I N -1.220 119.341 120.570 -0.015 0.000 2.315 162 I HA -0.291 3.880 4.170 0.002 0.000 0.248 162 I C 2.548 178.659 176.117 -0.010 0.000 1.117 162 I CA 1.042 62.333 61.300 -0.015 0.000 1.404 162 I CB -0.552 37.440 38.000 -0.015 0.000 1.071 162 I HN 0.249 nan 8.210 nan 0.000 0.419 163 A N 0.630 123.445 122.820 -0.009 0.000 1.877 163 A HA -0.225 4.096 4.320 0.002 0.000 0.216 163 A C 2.145 179.725 177.584 -0.007 0.000 1.186 163 A CA 1.636 53.669 52.037 -0.007 0.000 0.620 163 A CB -0.619 18.378 19.000 -0.006 0.000 0.822 163 A HN 0.437 nan 8.150 nan 0.000 0.443 164 E N -0.463 119.732 120.200 -0.008 0.000 2.515 164 E HA 0.051 4.402 4.350 0.002 0.000 0.201 164 E C 1.894 178.489 176.600 -0.009 0.000 1.071 164 E CA 0.387 56.782 56.400 -0.008 0.000 0.880 164 E CB -0.133 29.561 29.700 -0.008 0.000 0.828 164 E HN 0.650 nan 8.360 nan 0.000 0.540 165 A N 0.807 123.621 122.820 -0.010 0.000 1.871 165 A HA -0.020 4.301 4.320 0.002 0.000 0.211 165 A C 2.093 179.672 177.584 -0.008 0.000 1.207 165 A CA 0.431 52.462 52.037 -0.010 0.000 0.620 165 A CB -0.145 18.847 19.000 -0.013 0.000 0.860 165 A HN 0.074 nan 8.150 nan 0.000 0.450 166 M N -0.566 119.029 119.600 -0.007 0.000 2.132 166 M HA -0.145 4.336 4.480 0.002 0.000 0.263 166 M C 1.754 178.051 176.300 -0.004 0.000 1.065 166 M CA 1.984 57.281 55.300 -0.005 0.000 1.122 166 M CB -0.624 31.974 32.600 -0.003 0.000 1.365 166 M HN 0.452 nan 8.290 nan 0.000 0.411 167 D N 0.477 120.875 120.400 -0.004 0.000 2.219 167 D HA -0.106 4.535 4.640 0.002 0.000 0.205 167 D C 1.829 178.126 176.300 -0.004 0.000 0.970 167 D CA 1.156 55.154 54.000 -0.003 0.000 0.851 167 D CB 0.257 41.055 40.800 -0.004 0.000 0.943 167 D HN 0.251 nan 8.370 nan 0.000 0.488 168 K N -0.578 119.819 120.400 -0.005 0.000 2.021 168 K HA 0.016 4.337 4.320 0.002 0.000 0.205 168 K C 1.935 178.532 176.600 -0.004 0.000 1.047 168 K CA 0.606 56.890 56.287 -0.005 0.000 0.943 168 K CB -0.155 32.341 32.500 -0.006 0.000 0.725 168 K HN -0.003 nan 8.250 nan 0.000 0.439 169 V N 0.323 120.234 119.914 -0.005 0.000 3.052 169 V HA 0.101 4.222 4.120 0.002 0.000 0.254 169 V C 0.422 176.515 176.094 -0.003 0.000 1.100 169 V CA 1.226 63.524 62.300 -0.004 0.000 1.112 169 V CB -0.067 31.753 31.823 -0.005 0.000 0.738 169 V HN 0.636 nan 8.190 nan 0.000 0.469 170 G N -0.185 108.613 108.800 -0.003 0.000 2.662 170 G HA2 -0.172 3.789 3.960 0.002 0.000 0.686 170 G HA3 -0.172 3.789 3.960 0.002 0.000 0.686 170 G C 0.082 174.981 174.900 -0.001 0.000 1.271 170 G CA 0.036 45.135 45.100 -0.001 0.000 0.816 170 G HN 0.265 nan 8.290 nan 0.000 0.608 171 K N -0.030 120.370 120.400 0.000 0.000 2.148 171 K HA -0.045 4.276 4.320 0.002 0.000 0.204 171 K C 1.887 178.489 176.600 0.002 0.000 1.050 171 K CA 1.714 58.002 56.287 0.002 0.000 0.942 171 K CB 0.170 32.672 32.500 0.003 0.000 0.724 171 K HN 0.435 nan 8.250 nan 0.000 0.446 172 E N 0.418 120.618 120.200 0.001 0.000 2.481 172 E HA 0.079 4.430 4.350 0.002 0.000 0.198 172 E C 0.239 176.839 176.600 0.001 0.000 1.027 172 E CA -0.223 56.178 56.400 0.001 0.000 0.900 172 E CB 0.548 30.248 29.700 0.001 0.000 0.993 172 E HN 0.284 nan 8.360 nan 0.000 0.482 173 G N -0.205 108.594 108.800 -0.000 0.000 2.572 173 G HA2 0.337 4.298 3.960 0.002 0.000 0.261 173 G HA3 0.337 4.298 3.960 0.002 0.000 0.261 173 G C -0.346 174.553 174.900 -0.003 0.000 1.197 173 G CA -0.577 44.523 45.100 -0.001 0.000 0.870 173 G HN 0.042 nan 8.290 nan 0.000 0.548 174 V N 0.651 120.562 119.914 -0.005 0.000 2.649 174 V HA 0.384 4.504 4.120 0.002 0.000 0.292 174 V C -0.063 176.024 176.094 -0.012 0.000 1.055 174 V CA -0.095 62.199 62.300 -0.009 0.000 1.023 174 V CB 1.015 32.830 31.823 -0.012 0.000 0.992 174 V HN 0.475 nan 8.190 nan 0.000 0.480 175 I N 3.627 124.188 120.570 -0.014 0.000 2.582 175 I HA 0.641 4.812 4.170 0.002 0.000 0.292 175 I C 0.120 176.221 176.117 -0.026 0.000 1.066 175 I CA -0.066 61.223 61.300 -0.019 0.000 1.053 175 I CB 2.382 40.372 38.000 -0.018 0.000 1.241 175 I HN 0.802 nan 8.210 nan 0.000 0.421 176 T N 2.293 116.829 114.554 -0.030 0.000 2.901 176 T HA 0.862 5.213 4.350 0.002 0.000 0.293 176 T C -0.803 173.871 174.700 -0.043 0.000 1.084 176 T CA -0.779 61.298 62.100 -0.039 0.000 1.008 176 T CB 1.643 70.491 68.868 -0.033 0.000 1.170 176 T HN 0.228 nan 8.240 nan 0.000 0.509 177 V N 1.581 121.463 119.914 -0.054 0.000 2.483 177 V HA 0.617 4.738 4.120 0.002 0.000 0.295 177 V C -0.080 175.991 176.094 -0.039 0.000 1.035 177 V CA -0.703 61.567 62.300 -0.051 0.000 0.896 177 V CB 1.241 33.022 31.823 -0.070 0.000 0.986 177 V HN 0.983 nan 8.190 nan 0.000 0.447 178 E N 1.608 121.790 120.200 -0.031 0.000 2.369 178 E HA 0.441 4.792 4.350 0.002 0.000 0.270 178 E C -1.531 175.056 176.600 -0.021 0.000 0.909 178 E CA -0.941 55.445 56.400 -0.024 0.000 0.775 178 E CB 2.329 32.016 29.700 -0.022 0.000 1.270 178 E HN 0.699 nan 8.360 nan 0.000 0.445 179 D N 0.202 120.592 120.400 -0.017 0.000 2.360 179 D HA 0.310 4.951 4.640 0.002 0.000 0.242 179 D C 0.033 176.325 176.300 -0.013 0.000 1.184 179 D CA 0.248 54.240 54.000 -0.014 0.000 0.930 179 D CB 0.640 41.433 40.800 -0.011 0.000 1.161 179 D HN 0.427 nan 8.370 nan 0.000 0.447 180 G N -1.424 107.369 108.800 -0.012 0.000 2.400 180 G HA2 0.379 4.340 3.960 0.002 0.000 0.301 180 G HA3 0.379 4.340 3.960 0.002 0.000 0.301 180 G C 0.855 175.749 174.900 -0.010 0.000 1.154 180 G CA -0.520 44.573 45.100 -0.011 0.000 0.852 180 G HN 0.500 nan 8.290 nan 0.000 0.511 181 T N -1.421 113.127 114.554 -0.010 0.000 3.081 181 T HA 0.478 4.829 4.350 0.002 0.000 0.255 181 T C 1.269 175.964 174.700 -0.008 0.000 1.113 181 T CA 0.957 63.051 62.100 -0.009 0.000 1.082 181 T CB 0.149 69.011 68.868 -0.010 0.000 0.939 181 T HN 1.658 nan 8.240 nan 0.000 0.506 182 G N 1.082 109.877 108.800 -0.008 0.000 2.470 182 G HA2 0.200 4.161 3.960 0.002 0.000 0.145 182 G HA3 0.200 4.161 3.960 0.002 0.000 0.145 182 G C -0.473 174.423 174.900 -0.007 0.000 1.223 182 G CA -0.273 44.823 45.100 -0.007 0.000 1.058 182 G HN 0.238 nan 8.290 nan 0.000 0.469 183 L N 1.109 122.328 121.223 -0.006 0.000 2.610 183 L HA 0.418 4.759 4.340 0.002 0.000 0.232 183 L C 0.563 177.429 176.870 -0.007 0.000 1.149 183 L CA 0.787 55.623 54.840 -0.006 0.000 0.872 183 L CB -0.478 41.578 42.059 -0.006 0.000 0.992 183 L HN 0.380 nan 8.230 nan 0.000 0.447 184 Q N 0.632 120.428 119.800 -0.007 0.000 2.256 184 Q HA 0.243 4.584 4.340 0.002 0.000 0.257 184 Q C -0.796 175.198 176.000 -0.009 0.000 0.936 184 Q CA -0.423 55.375 55.803 -0.008 0.000 0.903 184 Q CB 1.428 30.162 28.738 -0.008 0.000 1.263 184 Q HN 0.205 nan 8.270 nan 0.000 0.440 185 D N 2.067 122.461 120.400 -0.010 0.000 2.389 185 D HA 0.114 4.755 4.640 0.002 0.000 0.247 185 D C -0.245 176.048 176.300 -0.011 0.000 1.128 185 D CA 0.466 54.459 54.000 -0.011 0.000 0.884 185 D CB 1.144 41.938 40.800 -0.011 0.000 1.194 185 D HN 0.336 nan 8.370 nan 0.000 0.441 186 E N 0.895 121.088 120.200 -0.012 0.000 2.288 186 E HA 0.587 4.938 4.350 0.002 0.000 0.268 186 E C -0.828 175.764 176.600 -0.013 0.000 0.885 186 E CA -0.835 55.558 56.400 -0.012 0.000 0.767 186 E CB 2.600 32.293 29.700 -0.011 0.000 1.220 186 E HN 0.195 nan 8.360 nan 0.000 0.427 187 L N 2.802 124.018 121.223 -0.012 0.000 2.482 187 L HA 0.395 4.736 4.340 0.002 0.000 0.269 187 L C -1.636 175.227 176.870 -0.012 0.000 0.967 187 L CA -0.482 54.351 54.840 -0.013 0.000 0.851 187 L CB 1.204 43.256 42.059 -0.012 0.000 1.242 187 L HN 0.507 nan 8.230 nan 0.000 0.404 188 D N 3.991 124.384 120.400 -0.012 0.000 2.252 188 D HA 0.579 5.219 4.640 0.002 0.000 0.245 188 D C -0.724 175.569 176.300 -0.011 0.000 1.009 188 D CA -0.178 53.815 54.000 -0.011 0.000 0.870 188 D CB 3.008 43.800 40.800 -0.012 0.000 1.251 188 D HN 0.292 nan 8.370 nan 0.000 0.460 189 V N -1.138 118.771 119.914 -0.010 0.000 2.680 189 V HA 0.904 5.025 4.120 0.002 0.000 0.309 189 V C -0.300 175.789 176.094 -0.008 0.000 1.052 189 V CA -0.556 61.739 62.300 -0.009 0.000 0.908 189 V CB 1.713 33.532 31.823 -0.007 0.000 1.001 189 V HN 0.429 nan 8.190 nan 0.000 0.431 190 V N 1.291 121.201 119.914 -0.007 0.000 3.221 190 V HA 0.555 4.676 4.120 0.002 0.000 0.299 190 V C -1.059 175.033 176.094 -0.004 0.000 1.594 190 V CA -0.425 61.871 62.300 -0.006 0.000 1.036 190 V CB 2.358 34.177 31.823 -0.007 0.000 1.107 190 V HN 1.134 nan 8.190 nan 0.000 0.476 191 E N 0.457 120.656 120.200 -0.001 0.000 2.790 191 E HA 0.842 5.193 4.350 0.002 0.000 0.256 191 E C 0.222 176.824 176.600 0.004 0.000 1.246 191 E CA 0.366 56.768 56.400 0.002 0.000 1.041 191 E CB 1.015 30.717 29.700 0.004 0.000 1.272 191 E HN 1.472 nan 8.360 nan 0.000 0.603 192 G N -0.881 107.926 108.800 0.011 0.000 2.332 192 G HA2 0.297 4.258 3.960 0.002 0.000 0.265 192 G HA3 0.297 4.258 3.960 0.002 0.000 0.265 192 G C -1.516 173.403 174.900 0.031 0.000 1.329 192 G CA -0.265 44.845 45.100 0.018 0.000 0.949 192 G HN 0.432 nan 8.290 nan 0.000 0.476 193 M N 0.622 120.246 119.600 0.041 0.000 2.307 193 M HA 0.509 4.990 4.480 0.002 0.000 0.279 193 M C -1.465 174.865 176.300 0.050 0.000 1.080 193 M CA -0.526 54.816 55.300 0.070 0.000 0.964 193 M CB 2.061 34.736 32.600 0.124 0.000 1.825 193 M HN 0.795 nan 8.290 nan 0.000 0.489 194 Q N 4.605 124.424 119.800 0.031 0.000 2.241 194 Q HA 0.651 4.992 4.340 0.002 0.000 0.254 194 Q C -1.936 174.112 176.000 0.080 0.000 0.917 194 Q CA -0.587 55.194 55.803 -0.036 0.000 0.919 194 Q CB 1.191 29.907 28.738 -0.036 0.000 1.237 194 Q HN 0.599 nan 8.270 nan 0.000 0.434 195 F N 0.605 120.558 119.950 0.005 0.000 2.540 195 F HA 0.449 4.977 4.527 0.002 0.000 0.317 195 F C -0.866 174.936 175.800 0.004 0.000 1.104 195 F CA -1.290 56.712 58.000 0.003 0.000 0.913 195 F CB 1.202 40.205 39.000 0.004 0.000 1.170 195 F HN 0.353 nan 8.300 nan 0.000 0.450 196 D N 2.754 123.262 120.400 0.180 0.000 3.085 196 D HA 0.248 4.889 4.640 0.002 0.000 0.243 196 D C -0.324 176.038 176.300 0.104 0.000 1.232 196 D CA 0.351 54.397 54.000 0.077 0.000 0.913 196 D CB -0.029 40.804 40.800 0.055 0.000 1.108 196 D HN 0.566 nan 8.370 nan 0.000 0.468 197 R N -0.513 120.080 120.500 0.155 0.000 2.668 197 R HA 0.667 5.008 4.340 0.002 0.000 0.272 197 R C -0.166 176.184 176.300 0.084 0.000 1.019 197 R CA -0.791 55.382 56.100 0.121 0.000 0.894 197 R CB 1.619 32.017 30.300 0.164 0.000 1.228 197 R HN 0.245 nan 8.270 nan 0.000 0.460 198 G N 0.869 109.668 108.800 -0.001 0.000 3.119 198 G HA2 0.301 4.262 3.960 0.002 0.000 0.206 198 G HA3 0.301 4.262 3.960 0.002 0.000 0.206 198 G C -1.064 173.855 174.900 0.031 0.000 1.313 198 G CA -0.553 44.501 45.100 -0.077 0.000 1.010 198 G HN 0.540 nan 8.290 nan 0.000 0.578 199 Y N -1.012 119.346 120.300 0.097 0.000 2.511 199 Y HA 0.456 5.007 4.550 0.002 0.000 0.347 199 Y C 0.889 176.874 175.900 0.141 0.000 1.257 199 Y CA -1.039 57.161 58.100 0.167 0.000 1.469 199 Y CB 0.290 38.881 38.460 0.219 0.000 1.353 199 Y HN 0.101 nan 8.280 nan 0.000 0.617 200 L N 1.196 122.720 121.223 0.501 0.000 2.585 200 L HA 0.277 4.618 4.340 0.002 0.000 0.226 200 L C 0.512 177.454 176.870 0.119 0.000 1.113 200 L CA 0.692 55.716 54.840 0.306 0.000 0.876 200 L CB -0.202 42.020 42.059 0.271 0.000 1.072 200 L HN 0.735 nan 8.230 nan 0.000 0.468 201 S N -1.618 113.988 115.700 -0.157 0.000 2.572 201 S HA 0.438 4.909 4.470 0.002 0.000 0.274 201 S C -2.252 171.680 174.600 -1.112 0.000 1.150 201 S CA -0.925 56.855 58.200 -0.699 0.000 0.944 201 S CB 1.572 64.041 63.200 -1.219 0.000 1.071 201 S HN -0.213 nan 8.310 nan 0.000 0.479 202 P HA 0.001 nan 4.420 nan 0.000 0.222 202 P C 0.384 177.234 177.300 -0.751 0.000 1.147 202 P CA 0.973 63.500 63.100 -0.955 0.000 0.790 202 P CB -0.115 31.194 31.700 -0.651 0.000 0.780 203 Y N -2.532 117.460 120.300 -0.513 0.000 2.632 203 Y HA -0.036 4.515 4.550 0.001 0.000 0.301 203 Y C 1.390 177.183 175.900 -0.178 0.000 1.172 203 Y CA -0.073 57.835 58.100 -0.321 0.000 1.328 203 Y CB -0.795 37.499 38.460 -0.276 0.000 1.016 203 Y HN -0.077 nan 8.280 nan 0.000 0.529 204 F N -0.422 119.459 119.950 -0.115 0.000 2.743 204 F HA 0.105 4.633 4.527 0.002 0.000 0.297 204 F C 0.929 176.667 175.800 -0.102 0.000 1.131 204 F CA -0.810 57.131 58.000 -0.100 0.000 1.426 204 F CB -0.719 38.204 39.000 -0.128 0.000 1.116 204 F HN -0.115 nan 8.300 nan 0.000 0.583 205 I N 2.892 123.457 120.570 -0.009 0.000 2.587 205 I HA -0.084 4.087 4.170 0.002 0.000 0.284 205 I C 1.014 177.151 176.117 0.032 0.000 1.134 205 I CA 0.171 61.467 61.300 -0.006 0.000 1.410 205 I CB 0.382 38.342 38.000 -0.067 0.000 1.392 205 I HN 0.134 nan 8.210 nan 0.000 0.545 206 N N 5.410 124.136 118.700 0.044 0.000 2.181 206 N HA 0.013 4.754 4.740 0.002 0.000 0.207 206 N C -0.101 175.428 175.510 0.031 0.000 1.182 206 N CA -0.052 53.020 53.050 0.037 0.000 0.893 206 N CB 0.515 39.024 38.487 0.037 0.000 1.032 206 N HN 0.283 nan 8.380 nan 0.000 0.513 207 K N 1.918 122.340 120.400 0.037 0.000 2.533 207 K HA 0.322 4.643 4.320 0.002 0.000 0.207 207 K C -1.946 174.680 176.600 0.043 0.000 1.052 207 K CA -1.585 54.723 56.287 0.035 0.000 1.030 207 K CB 2.257 34.776 32.500 0.032 0.000 1.522 207 K HN 0.107 nan 8.250 nan 0.000 0.543 208 P HA -0.062 nan 4.420 nan 0.000 0.216 208 P C 0.103 177.423 177.300 0.033 0.000 1.156 208 P CA 0.857 63.974 63.100 0.028 0.000 0.855 208 P CB 0.410 32.120 31.700 0.016 0.000 0.786 209 E N 0.072 120.291 120.200 0.032 0.000 2.773 209 E HA 0.133 4.484 4.350 0.002 0.000 0.302 209 E C 0.269 176.901 176.600 0.052 0.000 1.574 209 E CA 0.287 56.708 56.400 0.034 0.000 1.775 209 E CB -0.448 29.267 29.700 0.025 0.000 1.413 209 E HN 0.226 nan 8.360 nan 0.000 0.471 210 T N -1.866 112.736 114.554 0.080 0.000 3.538 210 T HA 0.112 4.463 4.350 0.002 0.000 0.291 210 T C 0.951 175.775 174.700 0.208 0.000 0.851 210 T CA 0.111 62.299 62.100 0.147 0.000 0.957 210 T CB -0.023 68.898 68.868 0.088 0.000 1.163 210 T HN 0.322 nan 8.240 nan 0.000 0.624 211 G N 1.823 110.699 108.800 0.127 0.000 2.132 211 G HA2 0.110 4.071 3.960 0.002 0.000 0.234 211 G HA3 0.110 4.071 3.960 0.002 0.000 0.234 211 G C 0.019 175.020 174.900 0.169 0.000 0.989 211 G CA 0.220 45.390 45.100 0.117 0.000 0.676 211 G HN 1.173 nan 8.290 nan 0.000 0.522 212 A N -0.309 122.604 122.820 0.155 0.000 2.317 212 A HA 0.841 5.162 4.320 0.002 0.000 0.327 212 A C 0.277 177.938 177.584 0.128 0.000 1.178 212 A CA -0.280 51.853 52.037 0.159 0.000 0.817 212 A CB 1.770 20.842 19.000 0.121 0.000 1.189 212 A HN 1.147 nan 8.150 nan 0.000 0.489 213 V N 2.410 122.422 119.914 0.163 0.000 2.583 213 V HA 0.308 4.429 4.120 0.002 0.000 0.287 213 V C 0.155 176.298 176.094 0.082 0.000 1.051 213 V CA -0.034 62.339 62.300 0.122 0.000 1.010 213 V CB 0.804 32.732 31.823 0.174 0.000 0.988 213 V HN 0.938 nan 8.190 nan 0.000 0.478 214 E N 4.746 124.976 120.200 0.049 0.000 2.293 214 E HA 0.699 5.050 4.350 0.002 0.000 0.270 214 E C -1.466 175.140 176.600 0.010 0.000 0.879 214 E CA -0.749 55.666 56.400 0.024 0.000 0.756 214 E CB 2.851 32.559 29.700 0.014 0.000 1.208 214 E HN 0.459 nan 8.360 nan 0.000 0.428 215 L N 2.064 123.285 121.223 -0.003 0.000 2.431 215 L HA 0.368 4.709 4.340 0.002 0.000 0.266 215 L C -0.652 176.203 176.870 -0.025 0.000 0.978 215 L CA -1.021 53.810 54.840 -0.015 0.000 0.822 215 L CB 2.058 44.102 42.059 -0.023 0.000 1.310 215 L HN 0.381 nan 8.230 nan 0.000 0.409 216 E N 1.678 121.860 120.200 -0.031 0.000 2.115 216 E HA 0.211 4.562 4.350 0.002 0.000 0.282 216 E C 0.602 177.164 176.600 -0.063 0.000 0.987 216 E CA 0.067 56.443 56.400 -0.039 0.000 0.797 216 E CB 1.471 31.152 29.700 -0.032 0.000 1.086 216 E HN 0.722 nan 8.360 nan 0.000 0.397 217 S N 1.044 116.700 115.700 -0.073 0.000 3.358 217 S HA -0.144 4.327 4.470 0.002 0.000 0.309 217 S C -1.778 172.716 174.600 -0.176 0.000 1.247 217 S CA 0.694 58.826 58.200 -0.113 0.000 0.961 217 S CB -1.974 61.156 63.200 -0.117 0.000 1.074 217 S HN 0.484 nan 8.310 nan 0.000 0.625 218 P HA 0.495 nan 4.420 nan 0.000 0.276 218 P C 0.369 177.560 177.300 -0.182 0.000 1.261 218 P CA -0.754 62.256 63.100 -0.149 0.000 0.800 218 P CB 0.308 31.981 31.700 -0.046 0.000 1.066 219 F N -0.270 119.675 119.950 -0.008 0.000 2.444 219 F HA 0.295 4.823 4.527 0.002 0.000 0.331 219 F C 1.047 176.844 175.800 -0.004 0.000 1.167 219 F CA 0.016 58.013 58.000 -0.005 0.000 1.262 219 F CB 0.311 39.307 39.000 -0.008 0.000 1.196 219 F HN 0.007 nan 8.300 nan 0.000 0.583 220 I N 3.761 124.469 120.570 0.231 0.000 2.478 220 I HA 0.187 4.358 4.170 0.002 0.000 0.287 220 I C -1.228 174.947 176.117 0.098 0.000 1.042 220 I CA -0.744 60.633 61.300 0.129 0.000 1.067 220 I CB 1.812 39.876 38.000 0.107 0.000 1.233 220 I HN 0.269 nan 8.210 nan 0.000 0.431 221 L N 7.607 128.869 121.223 0.065 0.000 2.276 221 L HA 0.477 4.818 4.340 0.002 0.000 0.286 221 L C -0.721 176.169 176.870 0.033 0.000 1.061 221 L CA -0.303 54.557 54.840 0.035 0.000 0.807 221 L CB 1.240 43.310 42.059 0.019 0.000 1.177 221 L HN 0.591 nan 8.230 nan 0.000 0.429 222 L N 6.281 127.516 121.223 0.020 0.000 2.417 222 L HA 0.388 4.729 4.340 0.002 0.000 0.258 222 L C 0.426 177.296 176.870 -0.000 0.000 1.088 222 L CA -0.363 54.481 54.840 0.007 0.000 0.975 222 L CB 0.998 43.059 42.059 0.003 0.000 1.341 222 L HN 0.701 nan 8.230 nan 0.000 0.431 223 A N 0.750 123.572 122.820 0.004 0.000 2.302 223 A HA 0.143 4.464 4.320 0.002 0.000 0.295 223 A C 0.614 178.197 177.584 -0.002 0.000 1.235 223 A CA -0.404 51.636 52.037 0.005 0.000 0.876 223 A CB 0.274 19.284 19.000 0.016 0.000 1.133 223 A HN 0.671 nan 8.150 nan 0.000 0.533 224 D N 1.673 122.071 120.400 -0.004 0.000 2.332 224 D HA 0.060 4.701 4.640 0.002 0.000 0.244 224 D C 0.633 176.935 176.300 0.004 0.000 1.136 224 D CA 0.869 54.865 54.000 -0.007 0.000 0.884 224 D CB -0.174 40.621 40.800 -0.008 0.000 0.906 224 D HN 0.723 nan 8.370 nan 0.000 0.520 225 K N -2.076 118.331 120.400 0.012 0.000 2.428 225 K HA 0.483 4.804 4.320 0.002 0.000 0.279 225 K C -1.140 175.478 176.600 0.030 0.000 1.041 225 K CA -1.164 55.136 56.287 0.022 0.000 0.887 225 K CB 0.761 33.272 32.500 0.019 0.000 1.535 225 K HN -0.358 nan 8.250 nan 0.000 0.417 226 K N 0.993 121.414 120.400 0.034 0.000 2.205 226 K HA 0.373 4.694 4.320 0.002 0.000 0.279 226 K C -0.337 176.284 176.600 0.035 0.000 1.027 226 K CA -0.461 55.849 56.287 0.039 0.000 0.932 226 K CB 0.588 33.111 32.500 0.038 0.000 1.032 226 K HN 0.389 nan 8.250 nan 0.000 0.466 227 I N 1.607 122.201 120.570 0.040 0.000 2.566 227 I HA 0.173 4.344 4.170 0.002 0.000 0.303 227 I C 1.135 177.275 176.117 0.037 0.000 0.983 227 I CA -0.053 61.269 61.300 0.037 0.000 1.235 227 I CB 1.538 39.563 38.000 0.042 0.000 1.386 227 I HN 0.843 nan 8.210 nan 0.000 0.494 228 S N 2.988 118.707 115.700 0.031 0.000 2.930 228 S HA 0.181 4.652 4.470 0.002 0.000 0.253 228 S C 0.464 175.081 174.600 0.028 0.000 1.083 228 S CA -0.274 57.943 58.200 0.029 0.000 0.836 228 S CB 0.649 63.862 63.200 0.022 0.000 0.814 228 S HN 0.749 nan 8.310 nan 0.000 0.467 229 N N -0.043 118.672 118.700 0.025 0.000 2.761 229 N HA 0.407 5.148 4.740 0.002 0.000 0.283 229 N C 0.053 175.577 175.510 0.023 0.000 1.377 229 N CA -0.290 52.773 53.050 0.022 0.000 0.791 229 N CB 1.463 39.960 38.487 0.016 0.000 1.540 229 N HN 0.075 nan 8.380 nan 0.000 0.539 230 I N 1.144 121.726 120.570 0.020 0.000 2.546 230 I HA 0.024 4.195 4.170 0.002 0.000 0.255 230 I C 2.548 178.671 176.117 0.011 0.000 1.163 230 I CA 0.644 61.954 61.300 0.018 0.000 1.457 230 I CB -0.419 37.590 38.000 0.015 0.000 1.092 230 I HN 0.513 nan 8.210 nan 0.000 0.434 231 R N 1.425 121.931 120.500 0.009 0.000 2.091 231 R HA -0.208 4.133 4.340 0.002 0.000 0.238 231 R C 2.045 178.347 176.300 0.003 0.000 1.136 231 R CA 1.565 57.667 56.100 0.004 0.000 0.959 231 R CB -0.121 30.181 30.300 0.005 0.000 0.856 231 R HN 0.331 nan 8.270 nan 0.000 0.437 232 E N -0.541 119.663 120.200 0.006 0.000 2.267 232 E HA -0.211 4.140 4.350 0.002 0.000 0.197 232 E C 1.520 178.120 176.600 0.000 0.000 0.998 232 E CA 1.478 57.881 56.400 0.004 0.000 0.830 232 E CB -0.020 29.686 29.700 0.010 0.000 0.751 232 E HN 0.315 nan 8.360 nan 0.000 0.491 233 M N -1.034 118.567 119.600 0.000 0.000 2.653 233 M HA 0.194 4.675 4.480 0.002 0.000 0.259 233 M C 1.353 177.646 176.300 -0.013 0.000 1.244 233 M CA 0.289 55.585 55.300 -0.005 0.000 1.163 233 M CB 0.388 32.989 32.600 0.002 0.000 1.309 233 M HN 0.030 nan 8.290 nan 0.000 0.509 234 L N 1.074 122.292 121.223 -0.009 0.000 2.040 234 L HA -0.280 4.061 4.340 0.002 0.000 0.228 234 L C -0.632 176.226 176.870 -0.020 0.000 1.092 234 L CA 2.042 56.875 54.840 -0.011 0.000 0.805 234 L CB -2.266 39.789 42.059 -0.007 0.000 0.905 234 L HN 0.255 nan 8.230 nan 0.000 0.443 235 P HA -0.106 nan 4.420 nan 0.000 0.219 235 P C 1.629 178.900 177.300 -0.048 0.000 1.150 235 P CA 1.839 64.920 63.100 -0.031 0.000 0.814 235 P CB -0.128 31.556 31.700 -0.028 0.000 0.787 236 V N -3.261 116.620 119.914 -0.054 0.000 2.878 236 V HA -0.041 4.079 4.120 0.002 0.000 0.250 236 V C 2.430 178.473 176.094 -0.084 0.000 1.075 236 V CA 0.684 62.933 62.300 -0.085 0.000 1.096 236 V CB -1.727 30.044 31.823 -0.088 0.000 0.724 236 V HN -0.092 nan 8.190 nan 0.000 0.467 237 L N 1.084 122.277 121.223 -0.050 0.000 2.056 237 L HA -0.054 4.287 4.340 0.002 0.000 0.207 237 L C 2.541 179.393 176.870 -0.031 0.000 1.078 237 L CA 2.397 57.217 54.840 -0.034 0.000 0.749 237 L CB -0.745 41.304 42.059 -0.017 0.000 0.901 237 L HN 0.511 nan 8.230 nan 0.000 0.433 238 E N -0.845 119.337 120.200 -0.031 0.000 2.106 238 E HA -0.204 4.147 4.350 0.002 0.000 0.192 238 E C 2.080 178.657 176.600 -0.037 0.000 0.984 238 E CA 0.977 57.362 56.400 -0.025 0.000 0.806 238 E CB -0.084 29.603 29.700 -0.021 0.000 0.750 238 E HN 0.613 nan 8.360 nan 0.000 0.458 239 A N 0.778 123.559 122.820 -0.065 0.000 1.898 239 A HA -0.145 4.176 4.320 0.002 0.000 0.216 239 A C 2.417 179.927 177.584 -0.123 0.000 1.181 239 A CA 1.639 53.620 52.037 -0.094 0.000 0.620 239 A CB -0.879 18.045 19.000 -0.127 0.000 0.819 239 A HN 0.296 nan 8.150 nan 0.000 0.442 240 V N -2.156 117.666 119.914 -0.152 0.000 2.407 240 V HA -0.105 4.016 4.120 0.002 0.000 0.248 240 V C 2.526 178.657 176.094 0.062 0.000 1.055 240 V CA 1.900 64.131 62.300 -0.116 0.000 1.049 240 V CB -1.587 30.201 31.823 -0.058 0.000 0.662 240 V HN 0.494 nan 8.190 nan 0.000 0.455 241 A N 0.359 123.196 122.820 0.029 0.000 1.873 241 A HA -0.148 4.173 4.320 0.002 0.000 0.215 241 A C 2.413 180.021 177.584 0.040 0.000 1.186 241 A CA 1.998 54.059 52.037 0.041 0.000 0.616 241 A CB -0.611 18.401 19.000 0.020 0.000 0.823 241 A HN 0.565 nan 8.150 nan 0.000 0.442 242 K N -0.413 119.998 120.400 0.019 0.000 2.211 242 K HA 0.008 4.329 4.320 0.002 0.000 0.203 242 K C 1.701 178.323 176.600 0.037 0.000 1.050 242 K CA 0.931 57.228 56.287 0.018 0.000 0.945 242 K CB -0.202 32.298 32.500 -0.001 0.000 0.732 242 K HN 0.399 nan 8.250 nan 0.000 0.451 243 A N -0.128 122.728 122.820 0.060 0.000 2.238 243 A HA 0.193 4.513 4.320 0.002 0.000 0.208 243 A C 1.156 178.849 177.584 0.181 0.000 1.177 243 A CA 0.769 52.883 52.037 0.128 0.000 0.804 243 A CB -0.212 18.877 19.000 0.148 0.000 0.823 243 A HN 0.471 nan 8.150 nan 0.000 0.482 244 G N -1.057 107.824 108.800 0.134 0.000 2.131 244 G HA2 -0.197 3.764 3.960 0.002 0.000 0.223 244 G HA3 -0.197 3.764 3.960 0.002 0.000 0.223 244 G C -0.010 174.941 174.900 0.085 0.000 0.990 244 G CA 0.419 45.572 45.100 0.090 0.000 0.671 244 G HN 0.558 nan 8.290 nan 0.000 0.521 245 K N 0.011 120.500 120.400 0.147 0.000 2.435 245 K HA 0.554 4.875 4.320 0.002 0.000 0.251 245 K C -2.657 174.016 176.600 0.123 0.000 0.954 245 K CA -2.175 54.167 56.287 0.091 0.000 0.820 245 K CB 2.589 35.066 32.500 -0.038 0.000 1.292 245 K HN -0.047 nan 8.250 nan 0.000 0.436 246 P HA 0.066 nan 4.420 nan 0.000 0.271 246 P C -1.173 176.182 177.300 0.091 0.000 1.244 246 P CA -0.508 62.619 63.100 0.045 0.000 0.793 246 P CB 0.498 32.198 31.700 -0.000 0.000 0.984 247 L N 1.620 122.872 121.223 0.050 0.000 2.436 247 L HA 0.428 4.769 4.340 0.002 0.000 0.268 247 L C -1.736 175.126 176.870 -0.014 0.000 0.974 247 L CA -0.815 54.064 54.840 0.066 0.000 0.826 247 L CB 1.719 43.817 42.059 0.065 0.000 1.291 247 L HN 0.252 nan 8.230 nan 0.000 0.406 248 L N 6.575 127.804 121.223 0.010 0.000 2.280 248 L HA 0.475 4.816 4.340 0.002 0.000 0.287 248 L C -0.444 176.438 176.870 0.020 0.000 1.023 248 L CA -0.386 54.446 54.840 -0.014 0.000 0.819 248 L CB 1.361 43.430 42.059 0.016 0.000 1.212 248 L HN 0.576 nan 8.230 nan 0.000 0.420 249 I N 6.360 126.931 120.570 0.000 0.000 2.337 249 I HA 0.230 4.401 4.170 0.002 0.000 0.291 249 I C 0.273 176.437 176.117 0.080 0.000 1.046 249 I CA -0.126 61.195 61.300 0.035 0.000 1.324 249 I CB 0.804 38.820 38.000 0.026 0.000 1.409 249 I HN 0.426 nan 8.210 nan 0.000 0.494 250 I N 6.631 127.254 120.570 0.088 0.000 2.304 250 I HA 0.572 4.743 4.170 0.002 0.000 0.291 250 I C 0.381 176.527 176.117 0.047 0.000 1.018 250 I CA -0.003 61.356 61.300 0.098 0.000 1.260 250 I CB 1.065 39.114 38.000 0.080 0.000 1.390 250 I HN 0.662 nan 8.210 nan 0.000 0.475 251 A N 5.414 128.268 122.820 0.057 0.000 2.564 251 A HA 0.507 4.827 4.320 0.002 0.000 0.288 251 A C 0.539 178.148 177.584 0.041 0.000 1.164 251 A CA -0.549 51.513 52.037 0.041 0.000 0.712 251 A CB 1.405 20.440 19.000 0.058 0.000 1.303 251 A HN 0.642 nan 8.150 nan 0.000 0.418 252 E N 0.038 120.261 120.200 0.038 0.000 2.208 252 E HA -0.014 4.337 4.350 0.002 0.000 0.193 252 E C -0.451 176.191 176.600 0.070 0.000 0.988 252 E CA 1.113 57.546 56.400 0.054 0.000 0.828 252 E CB 0.267 30.001 29.700 0.056 0.000 0.763 252 E HN 0.575 nan 8.360 nan 0.000 0.478 253 D N -1.593 118.848 120.400 0.069 0.000 2.807 253 D HA 0.141 4.782 4.640 0.002 0.000 0.279 253 D C -1.716 174.630 176.300 0.076 0.000 1.247 253 D CA -0.413 53.633 54.000 0.076 0.000 0.749 253 D CB 2.006 42.844 40.800 0.063 0.000 1.264 253 D HN -0.267 nan 8.370 nan 0.000 0.421 254 V N 1.897 121.863 119.914 0.086 0.000 2.509 254 V HA 0.328 4.449 4.120 0.002 0.000 0.289 254 V C -0.047 176.095 176.094 0.080 0.000 1.026 254 V CA -0.693 61.659 62.300 0.086 0.000 0.872 254 V CB 1.596 33.487 31.823 0.114 0.000 1.017 254 V HN 0.452 nan 8.190 nan 0.000 0.436 255 E N 2.560 122.797 120.200 0.061 0.000 2.330 255 E HA 0.604 4.955 4.350 0.002 0.000 0.256 255 E C 1.496 178.125 176.600 0.048 0.000 1.146 255 E CA 0.644 57.074 56.400 0.050 0.000 0.945 255 E CB 1.227 30.950 29.700 0.037 0.000 1.182 255 E HN 0.532 nan 8.360 nan 0.000 0.480 256 G N 0.233 109.055 108.800 0.037 0.000 2.513 256 G HA2 -0.362 3.599 3.960 0.002 0.000 0.219 256 G HA3 -0.362 3.599 3.960 0.002 0.000 0.219 256 G C 1.319 176.239 174.900 0.034 0.000 1.160 256 G CA 1.404 46.523 45.100 0.033 0.000 0.767 256 G HN 0.606 nan 8.290 nan 0.000 0.571 257 E N 0.113 120.331 120.200 0.030 0.000 2.112 257 E HA 0.162 4.513 4.350 0.002 0.000 0.190 257 E C 2.813 179.436 176.600 0.037 0.000 0.979 257 E CA 0.729 57.146 56.400 0.028 0.000 0.814 257 E CB -0.193 29.520 29.700 0.020 0.000 0.762 257 E HN 0.335 nan 8.360 nan 0.000 0.460 258 A N 1.456 124.303 122.820 0.045 0.000 1.877 258 A HA -0.176 4.145 4.320 0.002 0.000 0.216 258 A C 2.196 179.832 177.584 0.087 0.000 1.186 258 A CA 1.131 53.203 52.037 0.059 0.000 0.620 258 A CB -0.786 18.248 19.000 0.058 0.000 0.822 258 A HN 0.413 nan 8.150 nan 0.000 0.443 259 L N -0.756 120.522 121.223 0.092 0.000 1.994 259 L HA -0.197 4.144 4.340 0.002 0.000 0.208 259 L C 2.969 179.895 176.870 0.094 0.000 1.071 259 L CA 1.516 56.426 54.840 0.116 0.000 0.745 259 L CB -0.450 41.662 42.059 0.090 0.000 0.892 259 L HN 0.429 nan 8.230 nan 0.000 0.431 260 A N -0.403 122.450 122.820 0.056 0.000 1.883 260 A HA -0.263 4.058 4.320 0.002 0.000 0.217 260 A C 2.312 179.916 177.584 0.033 0.000 1.186 260 A CA 2.542 54.597 52.037 0.030 0.000 0.624 260 A CB -1.205 17.804 19.000 0.014 0.000 0.822 260 A HN 0.623 nan 8.150 nan 0.000 0.444 261 T N -1.378 113.202 114.554 0.044 0.000 2.821 261 T HA -0.049 4.302 4.350 0.002 0.000 0.267 261 T C 1.827 176.568 174.700 0.070 0.000 1.046 261 T CA 1.367 63.492 62.100 0.042 0.000 1.139 261 T CB -0.586 68.302 68.868 0.034 0.000 0.871 261 T HN 0.284 nan 8.240 nan 0.000 0.454 262 L N 0.631 121.923 121.223 0.116 0.000 2.046 262 L HA -0.059 4.282 4.340 0.002 0.000 0.208 262 L C 2.957 179.980 176.870 0.255 0.000 1.077 262 L CA 0.881 55.836 54.840 0.191 0.000 0.747 262 L CB -0.680 41.544 42.059 0.276 0.000 0.896 262 L HN 0.167 nan 8.230 nan 0.000 0.432 263 V N -0.796 119.227 119.914 0.183 0.000 2.295 263 V HA -0.242 3.879 4.120 0.002 0.000 0.246 263 V C 2.385 178.485 176.094 0.009 0.000 1.049 263 V CA 1.555 63.903 62.300 0.080 0.000 1.024 263 V CB -0.188 31.622 31.823 -0.021 0.000 0.648 263 V HN 0.189 nan 8.190 nan 0.000 0.447 264 V N 0.706 120.614 119.914 -0.008 0.000 2.490 264 V HA -0.225 3.896 4.120 0.002 0.000 0.250 264 V C 2.297 178.391 176.094 -0.000 0.000 1.061 264 V CA 2.216 64.499 62.300 -0.029 0.000 1.064 264 V CB -0.888 30.919 31.823 -0.026 0.000 0.670 264 V HN 0.608 nan 8.190 nan 0.000 0.461 265 N N 0.068 118.788 118.700 0.033 0.000 2.409 265 N HA -0.110 4.631 4.740 0.002 0.000 0.179 265 N C 1.835 177.375 175.510 0.050 0.000 1.032 265 N CA 1.685 54.757 53.050 0.037 0.000 0.898 265 N CB -0.009 38.504 38.487 0.042 0.000 0.971 265 N HN 0.690 nan 8.380 nan 0.000 0.441 266 T N -1.412 113.194 114.554 0.086 0.000 2.818 266 T HA 0.053 4.404 4.350 0.002 0.000 0.246 266 T C 1.135 175.875 174.700 0.067 0.000 1.036 266 T CA 0.252 62.418 62.100 0.111 0.000 1.160 266 T CB -0.535 68.480 68.868 0.246 0.000 0.869 266 T HN 0.214 nan 8.240 nan 0.000 0.419 267 M N 1.165 120.787 119.600 0.036 0.000 2.194 267 M HA 0.542 5.023 4.480 0.002 0.000 0.347 267 M C 0.450 176.729 176.300 -0.035 0.000 1.439 267 M CA -0.532 54.760 55.300 -0.014 0.000 1.131 267 M CB 0.508 33.058 32.600 -0.084 0.000 1.733 267 M HN 0.086 nan 8.290 nan 0.000 0.467 268 R N 1.214 121.702 120.500 -0.019 0.000 4.010 268 R HA -0.132 4.209 4.340 0.002 0.000 0.409 268 R C 0.165 176.457 176.300 -0.014 0.000 1.120 268 R CA 1.260 57.347 56.100 -0.021 0.000 1.244 268 R CB -2.160 28.117 30.300 -0.038 0.000 1.799 268 R HN 1.147 nan 8.270 nan 0.000 0.559 269 G N -0.573 108.224 108.800 -0.005 0.000 2.532 269 G HA2 0.515 4.476 3.960 0.002 0.000 0.291 269 G HA3 0.515 4.476 3.960 0.002 0.000 0.291 269 G C 1.416 176.321 174.900 0.008 0.000 1.349 269 G CA -0.157 44.944 45.100 0.001 0.000 1.038 269 G HN 0.067 nan 8.290 nan 0.000 0.518 270 I N -1.178 119.397 120.570 0.009 0.000 2.400 270 I HA 0.074 4.245 4.170 0.002 0.000 0.248 270 I C 0.017 176.142 176.117 0.014 0.000 1.109 270 I CA 0.775 62.080 61.300 0.009 0.000 1.425 270 I CB 0.019 38.023 38.000 0.007 0.000 1.094 270 I HN -0.092 nan 8.210 nan 0.000 0.425 271 V N 1.321 121.246 119.914 0.017 0.000 2.623 271 V HA 0.284 4.405 4.120 0.002 0.000 0.304 271 V C -0.674 175.433 176.094 0.021 0.000 1.054 271 V CA -0.984 61.328 62.300 0.018 0.000 0.882 271 V CB 1.832 33.665 31.823 0.017 0.000 1.002 271 V HN 0.042 nan 8.190 nan 0.000 0.424 272 K N 3.292 123.703 120.400 0.019 0.000 2.249 272 K HA 0.766 5.087 4.320 0.002 0.000 0.280 272 K C -0.381 176.209 176.600 -0.017 0.000 1.033 272 K CA -0.160 56.137 56.287 0.016 0.000 0.946 272 K CB 1.502 34.015 32.500 0.022 0.000 1.005 272 K HN 0.715 nan 8.250 nan 0.000 0.469 273 V N -1.673 118.200 119.914 -0.069 0.000 3.279 273 V HA 0.950 5.071 4.120 0.002 0.000 0.296 273 V C -1.442 174.387 176.094 -0.442 0.000 1.470 273 V CA -1.084 61.120 62.300 -0.160 0.000 1.065 273 V CB 1.633 33.389 31.823 -0.111 0.000 1.124 273 V HN 0.757 nan 8.190 nan 0.000 0.461 274 A N -0.058 122.405 122.820 -0.595 0.000 2.602 274 A HA 1.118 5.439 4.320 0.002 0.000 0.290 274 A C -0.590 176.600 177.584 -0.657 0.000 1.114 274 A CA -0.374 50.930 52.037 -1.221 0.000 0.683 274 A CB 1.457 20.019 19.000 -0.730 0.000 1.281 274 A HN 2.791 nan 8.150 nan 0.000 0.416 275 A N -0.298 122.239 122.820 -0.473 0.000 2.486 275 A HA 0.821 5.142 4.320 0.002 0.000 0.300 275 A C -0.672 177.059 177.584 0.244 0.000 1.048 275 A CA 0.023 52.082 52.037 0.037 0.000 0.696 275 A CB 1.286 20.380 19.000 0.157 0.000 1.278 275 A HN 2.378 nan 8.150 nan 0.000 0.405 276 V N -0.808 119.232 119.914 0.211 0.000 3.007 276 V HA 0.667 4.788 4.120 0.002 0.000 0.311 276 V C -0.635 175.596 176.094 0.229 0.000 1.120 276 V CA -1.094 61.357 62.300 0.251 0.000 0.980 276 V CB 1.943 33.922 31.823 0.259 0.000 1.033 276 V HN 0.797 nan 8.190 nan 0.000 0.429 277 K N 2.516 123.050 120.400 0.222 0.000 2.276 277 K HA 0.668 4.989 4.320 0.002 0.000 0.283 277 K C 0.499 177.235 176.600 0.227 0.000 1.044 277 K CA 0.178 56.573 56.287 0.180 0.000 0.944 277 K CB 1.634 34.220 32.500 0.142 0.000 1.012 277 K HN 1.135 nan 8.250 nan 0.000 0.472 278 A N 5.481 128.344 122.820 0.072 0.000 2.475 278 A HA 0.160 4.481 4.320 0.002 0.000 0.239 278 A C -2.047 175.546 177.584 0.016 0.000 1.087 278 A CA -0.726 51.242 52.037 -0.115 0.000 0.779 278 A CB -0.454 18.441 19.000 -0.176 0.000 1.036 278 A HN 0.469 nan 8.150 nan 0.000 0.506 279 P HA 0.415 nan 4.420 nan 0.000 0.277 279 P C 0.896 178.222 177.300 0.043 0.000 1.240 279 P CA 1.119 64.258 63.100 0.066 0.000 0.798 279 P CB 1.111 32.856 31.700 0.074 0.000 0.979 280 G N 2.508 111.369 108.800 0.101 0.000 2.720 280 G HA2 -0.162 3.799 3.960 0.002 0.000 0.293 280 G HA3 -0.162 3.799 3.960 0.002 0.000 0.293 280 G C -0.387 174.714 174.900 0.335 0.000 1.256 280 G CA 0.588 45.775 45.100 0.145 0.000 0.974 280 G HN 0.876 nan 8.290 nan 0.000 0.551 281 F N -3.288 116.665 119.950 0.005 0.000 2.885 281 F HA 0.547 5.075 4.527 0.002 0.000 0.331 281 F C 0.893 176.692 175.800 -0.002 0.000 1.135 281 F CA 0.543 58.544 58.000 0.003 0.000 0.911 281 F CB 0.159 39.164 39.000 0.009 0.000 1.316 281 F HN 2.470 nan 8.300 nan 0.000 0.454 282 G N 1.839 110.694 108.800 0.091 0.000 2.556 282 G HA2 -0.357 3.604 3.960 0.002 0.000 0.283 282 G HA3 -0.357 3.604 3.960 0.002 0.000 0.283 282 G C 0.297 175.143 174.900 -0.090 0.000 1.177 282 G CA 0.928 46.038 45.100 0.017 0.000 0.978 282 G HN 1.155 nan 8.290 nan 0.000 0.554 283 D N 0.699 121.019 120.400 -0.134 0.000 2.182 283 D HA 0.007 4.648 4.640 0.002 0.000 0.201 283 D C 2.484 178.714 176.300 -0.118 0.000 0.986 283 D CA 1.506 55.444 54.000 -0.105 0.000 0.847 283 D CB -0.084 40.654 40.800 -0.102 0.000 0.942 283 D HN 0.317 nan 8.370 nan 0.000 0.467 284 R N 0.737 121.134 120.500 -0.172 0.000 2.139 284 R HA -0.132 4.209 4.340 0.002 0.000 0.243 284 R C 2.056 178.287 176.300 -0.116 0.000 1.145 284 R CA 1.137 57.148 56.100 -0.149 0.000 0.976 284 R CB -0.559 29.628 30.300 -0.189 0.000 0.866 284 R HN 0.419 nan 8.270 nan 0.000 0.449 285 R N 0.554 120.990 120.500 -0.106 0.000 2.120 285 R HA -0.059 4.282 4.340 0.002 0.000 0.234 285 R C 1.296 177.549 176.300 -0.079 0.000 1.123 285 R CA 1.110 57.153 56.100 -0.095 0.000 0.975 285 R CB -0.267 29.989 30.300 -0.073 0.000 0.866 285 R HN -0.005 nan 8.270 nan 0.000 0.446 286 K N 1.142 121.503 120.400 -0.065 0.000 2.044 286 K HA -0.110 4.211 4.320 0.002 0.000 0.210 286 K C 2.180 178.751 176.600 -0.050 0.000 1.049 286 K CA 1.786 58.044 56.287 -0.050 0.000 0.927 286 K CB -0.463 32.011 32.500 -0.043 0.000 0.713 286 K HN 0.364 nan 8.250 nan 0.000 0.443 287 A N 1.372 124.158 122.820 -0.057 0.000 1.826 287 A HA -0.072 4.249 4.320 0.002 0.000 0.214 287 A C 2.348 179.895 177.584 -0.060 0.000 1.212 287 A CA 1.468 53.473 52.037 -0.052 0.000 0.605 287 A CB -0.537 18.431 19.000 -0.053 0.000 0.861 287 A HN 0.178 nan 8.150 nan 0.000 0.447 288 M N -1.196 118.356 119.600 -0.081 0.000 2.159 288 M HA -0.103 4.378 4.480 0.002 0.000 0.263 288 M C 2.135 178.367 176.300 -0.114 0.000 1.063 288 M CA 1.214 56.454 55.300 -0.100 0.000 1.110 288 M CB -0.369 32.149 32.600 -0.137 0.000 1.374 288 M HN 0.403 nan 8.290 nan 0.000 0.411 289 L N 0.147 121.301 121.223 -0.115 0.000 2.156 289 L HA -0.144 4.197 4.340 0.002 0.000 0.208 289 L C 2.390 179.226 176.870 -0.057 0.000 1.095 289 L CA 1.665 56.443 54.840 -0.103 0.000 0.770 289 L CB -0.404 41.598 42.059 -0.095 0.000 0.914 289 L HN 0.220 nan 8.230 nan 0.000 0.439 290 Q N -0.819 118.954 119.800 -0.045 0.000 2.354 290 Q HA -0.106 4.235 4.340 0.002 0.000 0.203 290 Q C 1.626 177.614 176.000 -0.020 0.000 0.933 290 Q CA 1.088 56.875 55.803 -0.027 0.000 0.901 290 Q CB -0.031 28.693 28.738 -0.024 0.000 1.007 290 Q HN 0.467 nan 8.270 nan 0.000 0.495 291 D N 0.108 120.492 120.400 -0.026 0.000 2.097 291 D HA -0.164 4.477 4.640 0.002 0.000 0.195 291 D C 1.763 178.061 176.300 -0.004 0.000 0.989 291 D CA 1.334 55.325 54.000 -0.016 0.000 0.827 291 D CB -0.150 40.638 40.800 -0.020 0.000 0.966 291 D HN 0.351 nan 8.370 nan 0.000 0.456 292 I N 1.383 121.947 120.570 -0.009 0.000 2.226 292 I HA -0.264 3.907 4.170 0.002 0.000 0.245 292 I C 2.553 178.681 176.117 0.018 0.000 1.100 292 I CA 1.046 62.355 61.300 0.014 0.000 1.374 292 I CB -0.238 37.762 38.000 0.001 0.000 1.057 292 I HN -0.079 nan 8.210 nan 0.000 0.413 293 A N 0.426 123.249 122.820 0.006 0.000 1.908 293 A HA -0.228 4.093 4.320 0.002 0.000 0.218 293 A C 2.382 179.975 177.584 0.015 0.000 1.181 293 A CA 2.594 54.639 52.037 0.012 0.000 0.627 293 A CB -1.157 17.844 19.000 0.002 0.000 0.818 293 A HN 0.413 nan 8.150 nan 0.000 0.445 294 T N -0.080 114.479 114.554 0.009 0.000 2.821 294 T HA -0.098 4.253 4.350 0.002 0.000 0.267 294 T C 1.800 176.508 174.700 0.013 0.000 1.046 294 T CA 1.390 63.495 62.100 0.009 0.000 1.139 294 T CB -0.299 68.571 68.868 0.003 0.000 0.871 294 T HN 0.337 nan 8.240 nan 0.000 0.454 295 L N 1.972 123.205 121.223 0.017 0.000 2.056 295 L HA -0.012 4.328 4.340 0.002 0.000 0.207 295 L C 2.417 179.302 176.870 0.025 0.000 1.078 295 L CA 2.033 56.886 54.840 0.022 0.000 0.749 295 L CB -0.938 41.138 42.059 0.030 0.000 0.901 295 L HN 0.383 nan 8.230 nan 0.000 0.433 296 T N -4.241 110.332 114.554 0.031 0.000 3.022 296 T HA 0.371 4.722 4.350 0.002 0.000 0.250 296 T C 1.284 176.008 174.700 0.041 0.000 1.060 296 T CA 0.233 62.356 62.100 0.037 0.000 1.013 296 T CB -0.057 68.841 68.868 0.051 0.000 0.982 296 T HN 0.661 nan 8.240 nan 0.000 0.508 297 G N 0.359 109.181 108.800 0.036 0.000 2.204 297 G HA2 0.163 4.124 3.960 0.002 0.000 0.244 297 G HA3 0.163 4.124 3.960 0.002 0.000 0.244 297 G C 0.244 175.174 174.900 0.050 0.000 1.062 297 G CA -0.228 44.896 45.100 0.040 0.000 0.798 297 G HN 1.032 nan 8.290 nan 0.000 0.496 298 G N -1.694 107.130 108.800 0.041 0.000 3.211 298 G HA2 0.913 4.874 3.960 0.002 0.000 0.262 298 G HA3 0.913 4.874 3.960 0.002 0.000 0.262 298 G C -0.612 174.299 174.900 0.019 0.000 1.352 298 G CA 0.239 45.360 45.100 0.036 0.000 1.004 298 G HN 0.832 nan 8.290 nan 0.000 0.559 299 T N 0.060 114.621 114.554 0.012 0.000 2.912 299 T HA 0.470 4.821 4.350 0.002 0.000 0.299 299 T C -0.079 174.620 174.700 -0.002 0.000 1.052 299 T CA -0.405 61.697 62.100 0.003 0.000 0.996 299 T CB 1.544 70.412 68.868 0.000 0.000 1.070 299 T HN 1.131 nan 8.240 nan 0.000 0.465 300 V N 1.061 120.970 119.914 -0.007 0.000 2.493 300 V HA 0.288 4.409 4.120 0.002 0.000 0.292 300 V C 0.206 176.294 176.094 -0.010 0.000 1.016 300 V CA -0.226 62.067 62.300 -0.012 0.000 1.097 300 V CB -0.813 30.998 31.823 -0.019 0.000 0.947 300 V HN 0.749 nan 8.190 nan 0.000 0.479 301 I N 4.493 125.058 120.570 -0.009 0.000 2.280 301 I HA 0.104 4.275 4.170 0.002 0.000 0.287 301 I C 1.168 177.280 176.117 -0.007 0.000 1.121 301 I CA 0.900 62.196 61.300 -0.008 0.000 1.798 301 I CB -0.471 37.525 38.000 -0.007 0.000 1.489 301 I HN 0.660 nan 8.210 nan 0.000 0.805 302 S N 3.671 119.366 115.700 -0.008 0.000 3.455 302 S HA 0.048 4.519 4.470 0.002 0.000 0.288 302 S C 1.479 176.077 174.600 -0.005 0.000 1.231 302 S CA -0.231 57.964 58.200 -0.008 0.000 1.031 302 S CB -0.364 62.830 63.200 -0.010 0.000 1.570 302 S HN 0.534 nan 8.310 nan 0.000 0.519 303 E N 2.182 122.380 120.200 -0.003 0.000 2.171 303 E HA -0.255 4.096 4.350 0.002 0.000 0.197 303 E C 1.559 178.159 176.600 -0.000 0.000 0.997 303 E CA 1.196 57.595 56.400 -0.001 0.000 0.810 303 E CB -0.057 29.644 29.700 0.001 0.000 0.738 303 E HN 0.714 nan 8.360 nan 0.000 0.467 304 E N 0.567 120.767 120.200 0.000 0.000 2.136 304 E HA -0.233 4.118 4.350 0.002 0.000 0.202 304 E C 2.025 178.625 176.600 -0.001 0.000 1.019 304 E CA 1.223 57.623 56.400 0.001 0.000 0.819 304 E CB -0.283 29.416 29.700 -0.000 0.000 0.739 304 E HN 0.387 nan 8.360 nan 0.000 0.458 305 I N -0.629 119.940 120.570 -0.002 0.000 2.830 305 I HA -0.036 4.135 4.170 0.002 0.000 0.263 305 I C 1.209 177.324 176.117 -0.002 0.000 1.230 305 I CA 0.715 62.013 61.300 -0.003 0.000 1.480 305 I CB 0.058 38.055 38.000 -0.004 0.000 1.095 305 I HN 0.258 nan 8.210 nan 0.000 0.455 306 G N 1.305 110.104 108.800 -0.002 0.000 2.338 306 G HA2 -0.118 3.843 3.960 0.002 0.000 0.115 306 G HA3 -0.118 3.843 3.960 0.002 0.000 0.115 306 G C -0.197 174.701 174.900 -0.003 0.000 1.053 306 G CA -0.591 44.508 45.100 -0.002 0.000 0.733 306 G HN 0.126 nan 8.290 nan 0.000 0.482 307 M N -0.456 119.142 119.600 -0.003 0.000 2.777 307 M HA 0.839 5.320 4.480 0.002 0.000 0.307 307 M C -0.171 176.127 176.300 -0.003 0.000 1.228 307 M CA -0.864 54.433 55.300 -0.004 0.000 0.871 307 M CB 2.505 35.102 32.600 -0.005 0.000 1.721 307 M HN 0.206 nan 8.290 nan 0.000 0.487 308 E N 0.147 120.344 120.200 -0.004 0.000 2.363 308 E HA 0.292 4.643 4.350 0.002 0.000 0.281 308 E C -0.522 176.074 176.600 -0.006 0.000 0.953 308 E CA -0.441 55.957 56.400 -0.003 0.000 0.778 308 E CB 1.892 31.591 29.700 -0.002 0.000 1.220 308 E HN 0.757 nan 8.360 nan 0.000 0.431 309 L N 2.746 123.967 121.223 -0.005 0.000 2.189 309 L HA -0.202 4.139 4.340 0.002 0.000 0.214 309 L C 1.785 178.647 176.870 -0.013 0.000 1.097 309 L CA 1.501 56.336 54.840 -0.008 0.000 0.764 309 L CB -0.289 41.767 42.059 -0.004 0.000 0.900 309 L HN 0.674 nan 8.230 nan 0.000 0.436 310 E N 0.135 120.328 120.200 -0.011 0.000 2.160 310 E HA -0.242 4.109 4.350 0.002 0.000 0.195 310 E C 1.540 178.130 176.600 -0.017 0.000 0.991 310 E CA 1.101 57.493 56.400 -0.013 0.000 0.810 310 E CB -0.044 29.650 29.700 -0.009 0.000 0.742 310 E HN 0.390 nan 8.360 nan 0.000 0.466 311 K N 0.279 120.670 120.400 -0.015 0.000 2.417 311 K HA 0.197 4.518 4.320 0.002 0.000 0.196 311 K C 0.274 176.862 176.600 -0.019 0.000 1.023 311 K CA 0.051 56.329 56.287 -0.015 0.000 1.122 311 K CB 0.751 33.245 32.500 -0.011 0.000 0.850 311 K HN 0.066 nan 8.250 nan 0.000 0.521 312 A N 0.158 122.964 122.820 -0.023 0.000 2.275 312 A HA 0.641 4.962 4.320 0.002 0.000 0.282 312 A C 0.124 177.684 177.584 -0.040 0.000 1.275 312 A CA -0.048 51.971 52.037 -0.029 0.000 0.842 312 A CB 0.553 19.535 19.000 -0.029 0.000 1.280 312 A HN 0.145 nan 8.150 nan 0.000 0.508 313 T N -1.375 113.148 114.554 -0.052 0.000 2.830 313 T HA 0.317 4.668 4.350 0.002 0.000 0.322 313 T C 0.340 174.983 174.700 -0.095 0.000 1.501 313 T CA -0.605 61.453 62.100 -0.071 0.000 1.036 313 T CB 0.869 69.707 68.868 -0.051 0.000 1.379 313 T HN 0.348 nan 8.240 nan 0.000 0.493 314 L N 1.794 122.927 121.223 -0.150 0.000 2.349 314 L HA -0.087 4.254 4.340 0.002 0.000 0.220 314 L C 2.592 179.413 176.870 -0.081 0.000 1.130 314 L CA 1.771 56.480 54.840 -0.219 0.000 0.791 314 L CB -0.714 41.119 42.059 -0.376 0.000 0.918 314 L HN 0.824 nan 8.230 nan 0.000 0.444 315 E N -0.986 119.190 120.200 -0.041 0.000 2.097 315 E HA -0.259 4.092 4.350 0.002 0.000 0.196 315 E C 0.994 177.597 176.600 0.005 0.000 1.000 315 E CA 1.746 58.145 56.400 -0.003 0.000 0.804 315 E CB -0.372 29.324 29.700 -0.007 0.000 0.740 315 E HN 0.530 nan 8.360 nan 0.000 0.454 316 D N 0.332 120.726 120.400 -0.010 0.000 2.333 316 D HA 0.070 4.711 4.640 0.002 0.000 0.208 316 D C 0.216 176.520 176.300 0.008 0.000 0.984 316 D CA 0.110 54.109 54.000 -0.002 0.000 0.873 316 D CB 0.204 40.997 40.800 -0.012 0.000 0.935 316 D HN 0.121 nan 8.370 nan 0.000 0.521 317 L N 1.245 122.468 121.223 0.000 0.000 2.416 317 L HA 0.256 4.597 4.340 0.002 0.000 0.272 317 L C 1.411 178.350 176.870 0.115 0.000 1.161 317 L CA 0.084 54.947 54.840 0.037 0.000 0.845 317 L CB 0.959 43.004 42.059 -0.023 0.000 1.119 317 L HN -0.163 nan 8.230 nan 0.000 0.464 318 G N 2.264 111.136 108.800 0.120 0.000 2.621 318 G HA2 0.501 4.462 3.960 0.002 0.000 0.271 318 G HA3 0.501 4.462 3.960 0.002 0.000 0.271 318 G C -0.699 174.303 174.900 0.171 0.000 1.236 318 G CA -0.375 44.798 45.100 0.122 0.000 0.958 318 G HN 0.573 nan 8.290 nan 0.000 0.512 319 Q N -1.637 118.217 119.800 0.089 0.000 2.456 319 Q HA 0.618 4.958 4.340 0.002 0.000 0.283 319 Q C -0.886 175.110 176.000 -0.006 0.000 1.084 319 Q CA -0.884 54.922 55.803 0.005 0.000 0.801 319 Q CB 2.616 31.297 28.738 -0.094 0.000 1.434 319 Q HN 0.795 nan 8.270 nan 0.000 0.419 320 A N 0.651 123.452 122.820 -0.032 0.000 2.498 320 A HA 0.397 4.718 4.320 0.002 0.000 0.298 320 A C -0.003 177.554 177.584 -0.046 0.000 1.075 320 A CA -0.591 51.433 52.037 -0.023 0.000 0.714 320 A CB 1.662 20.663 19.000 0.002 0.000 1.299 320 A HN 0.812 nan 8.150 nan 0.000 0.407 321 K N -0.112 120.266 120.400 -0.036 0.000 2.103 321 K HA -0.049 4.272 4.320 0.002 0.000 0.207 321 K C 0.642 177.218 176.600 -0.040 0.000 1.048 321 K CA 1.557 57.819 56.287 -0.041 0.000 0.930 321 K CB 0.014 32.497 32.500 -0.029 0.000 0.716 321 K HN 0.631 nan 8.250 nan 0.000 0.444 322 R N -1.056 119.425 120.500 -0.031 0.000 2.692 322 R HA 0.357 4.698 4.340 0.002 0.000 0.269 322 R C -2.100 174.187 176.300 -0.023 0.000 1.030 322 R CA -0.671 55.411 56.100 -0.029 0.000 0.882 322 R CB 2.433 32.718 30.300 -0.026 0.000 1.250 322 R HN -0.028 nan 8.270 nan 0.000 0.465 323 V N 3.177 123.078 119.914 -0.021 0.000 2.789 323 V HA 0.772 4.893 4.120 0.002 0.000 0.311 323 V C -1.277 174.807 176.094 -0.016 0.000 1.073 323 V CA -0.441 61.847 62.300 -0.020 0.000 0.921 323 V CB 2.052 33.869 31.823 -0.011 0.000 1.009 323 V HN 0.569 nan 8.190 nan 0.000 0.426 324 V N 4.774 124.673 119.914 -0.025 0.000 2.841 324 V HA 0.868 4.989 4.120 0.002 0.000 0.310 324 V C -1.207 174.879 176.094 -0.012 0.000 1.090 324 V CA -0.676 61.621 62.300 -0.006 0.000 0.930 324 V CB 1.789 33.609 31.823 -0.006 0.000 1.014 324 V HN 0.791 nan 8.190 nan 0.000 0.425 325 I N 4.239 124.836 120.570 0.046 0.000 2.692 325 I HA 0.602 4.773 4.170 0.002 0.000 0.293 325 I C -0.370 175.838 176.117 0.153 0.000 1.200 325 I CA -0.351 60.989 61.300 0.068 0.000 1.036 325 I CB 2.173 40.253 38.000 0.133 0.000 1.258 325 I HN 0.974 nan 8.210 nan 0.000 0.421 326 N N 4.468 123.178 118.700 0.017 0.000 2.989 326 N HA 0.354 5.094 4.740 0.002 0.000 0.338 326 N C 0.641 175.667 175.510 -0.808 0.000 1.369 326 N CA -0.703 52.282 53.050 -0.108 0.000 0.794 326 N CB 1.076 39.525 38.487 -0.063 0.000 1.359 326 N HN 0.651 nan 8.380 nan 0.000 0.609 327 K N -0.668 119.066 120.400 -1.111 0.000 2.113 327 K HA -0.132 4.189 4.320 0.002 0.000 0.208 327 K C -0.065 176.239 176.600 -0.493 0.000 1.047 327 K CA 1.912 57.552 56.287 -1.078 0.000 0.928 327 K CB -0.079 32.113 32.500 -0.513 0.000 0.716 327 K HN 0.537 nan 8.250 nan 0.000 0.446 328 D N -0.925 119.292 120.400 -0.306 0.000 2.474 328 D HA 0.077 4.718 4.640 0.002 0.000 0.213 328 D C -0.232 176.005 176.300 -0.105 0.000 1.120 328 D CA 0.202 54.109 54.000 -0.155 0.000 0.836 328 D CB 1.340 42.071 40.800 -0.116 0.000 1.019 328 D HN 0.031 nan 8.370 nan 0.000 0.507 329 T N 0.037 114.510 114.554 -0.135 0.000 3.012 329 T HA 0.309 4.660 4.350 0.002 0.000 0.330 329 T C -0.775 173.801 174.700 -0.206 0.000 1.321 329 T CA -0.411 61.608 62.100 -0.134 0.000 1.067 329 T CB 2.679 71.490 68.868 -0.096 0.000 1.235 329 T HN -0.285 nan 8.240 nan 0.000 0.479 330 T N 1.806 116.121 114.554 -0.398 0.000 2.885 330 T HA 0.789 5.140 4.350 0.002 0.000 0.285 330 T C -0.605 173.765 174.700 -0.551 0.000 1.019 330 T CA -0.620 61.145 62.100 -0.560 0.000 1.010 330 T CB 1.868 70.093 68.868 -1.073 0.000 1.022 330 T HN 0.611 nan 8.240 nan 0.000 0.466 331 T N 2.188 116.546 114.554 -0.327 0.000 2.993 331 T HA 0.607 4.958 4.350 0.002 0.000 0.312 331 T C -1.139 173.491 174.700 -0.117 0.000 1.115 331 T CA -0.789 61.183 62.100 -0.213 0.000 1.027 331 T CB 0.355 69.149 68.868 -0.124 0.000 1.116 331 T HN 0.596 nan 8.240 nan 0.000 0.464 332 I N 2.752 123.286 120.570 -0.060 0.000 2.359 332 I HA 0.658 4.829 4.170 0.002 0.000 0.294 332 I C -0.652 175.461 176.117 -0.007 0.000 0.987 332 I CA -1.076 60.217 61.300 -0.011 0.000 1.225 332 I CB 1.209 39.230 38.000 0.036 0.000 1.366 332 I HN 0.456 nan 8.210 nan 0.000 0.466 333 I N 4.495 125.058 120.570 -0.011 0.000 2.342 333 I HA 0.176 4.347 4.170 0.002 0.000 0.291 333 I C 0.030 176.142 176.117 -0.007 0.000 1.010 333 I CA -0.132 61.162 61.300 -0.010 0.000 1.308 333 I CB 0.742 38.732 38.000 -0.017 0.000 1.400 333 I HN 0.691 nan 8.210 nan 0.000 0.488 334 D N 5.168 125.567 120.400 -0.003 0.000 4.055 334 D HA -0.152 4.489 4.640 0.002 0.000 0.198 334 D C 0.536 176.836 176.300 -0.000 0.000 1.089 334 D CA 0.973 54.973 54.000 -0.001 0.000 1.033 334 D CB 0.116 40.912 40.800 -0.007 0.000 0.876 334 D HN 0.798 nan 8.370 nan 0.000 0.468 335 G N 2.304 111.110 108.800 0.010 0.000 2.484 335 G HA2 0.262 4.223 3.960 0.002 0.000 0.235 335 G HA3 0.262 4.223 3.960 0.002 0.000 0.235 335 G C 0.909 175.812 174.900 0.006 0.000 1.282 335 G CA -0.443 44.665 45.100 0.014 0.000 0.857 335 G HN 0.569 nan 8.290 nan 0.000 0.571 336 V N 2.579 122.495 119.914 0.003 0.000 3.273 336 V HA 0.263 4.384 4.120 0.002 0.000 0.379 336 V C 1.471 177.571 176.094 0.010 0.000 1.256 336 V CA 0.299 62.598 62.300 -0.001 0.000 1.455 336 V CB -0.927 30.887 31.823 -0.016 0.000 1.247 336 V HN 0.778 nan 8.190 nan 0.000 0.469 337 G N 0.128 108.935 108.800 0.012 0.000 2.437 337 G HA2 0.539 4.500 3.960 0.002 0.000 0.319 337 G HA3 0.539 4.500 3.960 0.002 0.000 0.319 337 G C -0.380 174.523 174.900 0.006 0.000 1.158 337 G CA -0.491 44.616 45.100 0.011 0.000 0.899 337 G HN 0.301 nan 8.290 nan 0.000 0.502 338 E N 0.359 120.563 120.200 0.006 0.000 2.301 338 E HA 0.062 4.413 4.350 0.002 0.000 0.275 338 E C 0.744 177.345 176.600 0.003 0.000 1.030 338 E CA -0.398 56.004 56.400 0.003 0.000 0.852 338 E CB 2.240 31.942 29.700 0.003 0.000 1.060 338 E HN 0.762 nan 8.360 nan 0.000 0.401 339 E N 1.832 122.033 120.200 0.002 0.000 2.265 339 E HA -0.185 4.165 4.350 0.002 0.000 0.196 339 E C 1.553 178.154 176.600 0.002 0.000 0.996 339 E CA 0.834 57.236 56.400 0.002 0.000 0.832 339 E CB 0.145 29.846 29.700 0.001 0.000 0.756 339 E HN 0.585 nan 8.360 nan 0.000 0.491 340 A N 1.030 123.851 122.820 0.001 0.000 1.940 340 A HA -0.171 4.150 4.320 0.002 0.000 0.219 340 A C 2.315 179.900 177.584 0.002 0.000 1.176 340 A CA 1.732 53.770 52.037 0.001 0.000 0.631 340 A CB -0.513 18.488 19.000 0.001 0.000 0.814 340 A HN 0.367 nan 8.150 nan 0.000 0.446 341 A N -0.357 122.465 122.820 0.003 0.000 1.968 341 A HA 0.063 4.384 4.320 0.002 0.000 0.217 341 A C 2.071 179.657 177.584 0.003 0.000 1.169 341 A CA 1.235 53.274 52.037 0.003 0.000 0.638 341 A CB -0.471 18.532 19.000 0.005 0.000 0.812 341 A HN 0.504 nan 8.150 nan 0.000 0.446 342 I N -0.705 119.867 120.570 0.004 0.000 2.163 342 I HA -0.226 3.945 4.170 0.002 0.000 0.240 342 I C 2.611 178.730 176.117 0.002 0.000 1.081 342 I CA 1.047 62.350 61.300 0.004 0.000 1.353 342 I CB -0.406 37.597 38.000 0.006 0.000 1.054 342 I HN 0.270 nan 8.210 nan 0.000 0.407 343 Q N 0.805 120.606 119.800 0.001 0.000 2.124 343 Q HA -0.112 4.229 4.340 0.002 0.000 0.202 343 Q C 2.332 178.332 176.000 -0.001 0.000 0.977 343 Q CA 1.735 57.538 55.803 -0.000 0.000 0.850 343 Q CB -0.769 27.969 28.738 -0.000 0.000 0.901 343 Q HN 0.616 nan 8.270 nan 0.000 0.429 344 G N 0.740 109.540 108.800 -0.001 0.000 2.422 344 G HA2 -0.287 3.674 3.960 0.002 0.000 0.218 344 G HA3 -0.287 3.674 3.960 0.002 0.000 0.218 344 G C 1.694 176.593 174.900 -0.002 0.000 1.146 344 G CA 0.824 45.923 45.100 -0.001 0.000 0.769 344 G HN 0.227 nan 8.290 nan 0.000 0.547 345 R N 0.236 120.735 120.500 -0.002 0.000 2.090 345 R HA 0.068 4.409 4.340 0.002 0.000 0.228 345 R C 2.606 178.903 176.300 -0.004 0.000 1.110 345 R CA 1.050 57.148 56.100 -0.003 0.000 0.973 345 R CB -0.909 29.390 30.300 -0.002 0.000 0.869 345 R HN 0.203 nan 8.270 nan 0.000 0.440 346 V N 0.845 120.757 119.914 -0.003 0.000 2.332 346 V HA -0.246 3.875 4.120 0.002 0.000 0.248 346 V C 2.317 178.408 176.094 -0.005 0.000 1.055 346 V CA 1.985 64.282 62.300 -0.004 0.000 1.038 346 V CB -0.944 30.877 31.823 -0.003 0.000 0.651 346 V HN 0.510 nan 8.190 nan 0.000 0.450 347 A N -0.982 121.835 122.820 -0.004 0.000 1.902 347 A HA -0.297 4.024 4.320 0.002 0.000 0.217 347 A C 2.175 179.755 177.584 -0.006 0.000 1.181 347 A CA 1.982 54.016 52.037 -0.005 0.000 0.623 347 A CB -0.491 18.507 19.000 -0.004 0.000 0.818 347 A HN 0.623 nan 8.150 nan 0.000 0.443 348 Q N -0.631 119.165 119.800 -0.006 0.000 2.084 348 Q HA -0.136 4.205 4.340 0.002 0.000 0.202 348 Q C 2.021 178.015 176.000 -0.010 0.000 0.978 348 Q CA 1.619 57.417 55.803 -0.008 0.000 0.844 348 Q CB -0.339 28.394 28.738 -0.008 0.000 0.898 348 Q HN 0.766 nan 8.270 nan 0.000 0.426 349 I N 0.217 120.780 120.570 -0.011 0.000 2.252 349 I HA -0.276 3.895 4.170 0.002 0.000 0.245 349 I C 2.315 178.424 176.117 -0.013 0.000 1.102 349 I CA 1.106 62.398 61.300 -0.014 0.000 1.385 349 I CB -0.215 37.776 38.000 -0.014 0.000 1.064 349 I HN 0.117 nan 8.210 nan 0.000 0.414 350 R N 0.283 120.776 120.500 -0.011 0.000 2.105 350 R HA -0.212 4.129 4.340 0.002 0.000 0.239 350 R C 2.181 178.476 176.300 -0.009 0.000 1.135 350 R CA 1.195 57.289 56.100 -0.010 0.000 0.967 350 R CB -0.338 29.957 30.300 -0.008 0.000 0.861 350 R HN 0.449 nan 8.270 nan 0.000 0.442 351 Q N 0.295 120.090 119.800 -0.008 0.000 2.488 351 Q HA -0.123 4.218 4.340 0.002 0.000 0.211 351 Q C 1.358 177.352 176.000 -0.009 0.000 0.967 351 Q CA 0.884 56.682 55.803 -0.008 0.000 0.926 351 Q CB 0.346 29.080 28.738 -0.007 0.000 0.992 351 Q HN 0.462 nan 8.270 nan 0.000 0.506 352 Q N -0.863 118.931 119.800 -0.011 0.000 2.394 352 Q HA 0.074 4.415 4.340 0.002 0.000 0.218 352 Q C 1.805 177.797 176.000 -0.013 0.000 0.907 352 Q CA 0.186 55.981 55.803 -0.013 0.000 0.919 352 Q CB 0.416 29.144 28.738 -0.016 0.000 1.051 352 Q HN 0.367 nan 8.270 nan 0.000 0.538 353 I N 1.583 122.144 120.570 -0.014 0.000 2.264 353 I HA -0.290 3.881 4.170 0.002 0.000 0.248 353 I C 2.391 178.502 176.117 -0.009 0.000 1.111 353 I CA 1.202 62.494 61.300 -0.014 0.000 1.382 353 I CB -0.255 37.735 38.000 -0.015 0.000 1.060 353 I HN 0.319 nan 8.210 nan 0.000 0.418 354 E N 1.244 121.439 120.200 -0.008 0.000 2.169 354 E HA -0.327 4.023 4.350 0.002 0.000 0.202 354 E C 1.879 178.477 176.600 -0.004 0.000 1.016 354 E CA 1.823 58.220 56.400 -0.006 0.000 0.817 354 E CB 0.075 29.771 29.700 -0.005 0.000 0.736 354 E HN 0.415 nan 8.360 nan 0.000 0.462 355 E N -0.486 119.711 120.200 -0.005 0.000 2.110 355 E HA -0.130 4.221 4.350 0.002 0.000 0.193 355 E C 1.403 178.003 176.600 -0.001 0.000 0.988 355 E CA 1.328 57.726 56.400 -0.003 0.000 0.804 355 E CB -0.249 29.449 29.700 -0.003 0.000 0.745 355 E HN 0.464 nan 8.360 nan 0.000 0.458 356 A N -1.198 121.621 122.820 -0.002 0.000 4.029 356 A HA -0.371 3.950 4.320 0.002 0.000 0.268 356 A C 1.889 179.476 177.584 0.005 0.000 0.943 356 A CA 2.121 54.159 52.037 0.001 0.000 1.137 356 A CB -2.577 16.424 19.000 0.001 0.000 1.074 356 A HN 0.353 nan 8.150 nan 0.000 0.854 357 T N -1.042 113.515 114.554 0.006 0.000 2.778 357 T HA 0.080 4.431 4.350 0.002 0.000 0.269 357 T C 0.981 175.691 174.700 0.017 0.000 1.050 357 T CA 1.884 63.990 62.100 0.010 0.000 1.137 357 T CB -0.165 68.708 68.868 0.008 0.000 0.860 357 T HN 1.349 nan 8.240 nan 0.000 0.468 358 S N -0.452 115.262 115.700 0.022 0.000 2.672 358 S HA 0.336 4.807 4.470 0.002 0.000 0.291 358 S C -0.244 174.386 174.600 0.049 0.000 1.145 358 S CA -0.833 57.390 58.200 0.039 0.000 1.013 358 S CB 1.572 64.799 63.200 0.045 0.000 1.017 358 S HN 0.072 nan 8.310 nan 0.000 0.487 359 D N 2.221 122.659 120.400 0.064 0.000 2.097 359 D HA -0.038 4.603 4.640 0.002 0.000 0.197 359 D C 1.283 177.636 176.300 0.088 0.000 0.984 359 D CA 1.268 55.306 54.000 0.064 0.000 0.826 359 D CB -0.113 40.726 40.800 0.065 0.000 0.973 359 D HN 0.694 nan 8.370 nan 0.000 0.460 360 Y N 1.533 121.832 120.300 -0.001 0.000 2.181 360 Y HA -0.177 4.374 4.550 0.002 0.000 0.288 360 Y C 1.333 177.230 175.900 -0.004 0.000 1.146 360 Y CA 1.671 59.770 58.100 -0.001 0.000 1.164 360 Y CB -0.230 38.229 38.460 -0.000 0.000 0.982 360 Y HN -0.072 nan 8.280 nan 0.000 0.515 361 D N -0.694 119.735 120.400 0.049 0.000 2.117 361 D HA -0.157 4.484 4.640 0.002 0.000 0.198 361 D C 2.200 178.459 176.300 -0.069 0.000 0.982 361 D CA 1.317 55.301 54.000 -0.027 0.000 0.828 361 D CB -0.265 40.553 40.800 0.031 0.000 0.967 361 D HN 0.211 nan 8.370 nan 0.000 0.464 362 R N 0.851 121.328 120.500 -0.039 0.000 2.091 362 R HA -0.178 4.163 4.340 0.002 0.000 0.238 362 R C 2.069 178.327 176.300 -0.069 0.000 1.136 362 R CA 1.236 57.312 56.100 -0.040 0.000 0.959 362 R CB -0.037 30.254 30.300 -0.016 0.000 0.856 362 R HN 0.190 nan 8.270 nan 0.000 0.437 363 E N 0.674 120.812 120.200 -0.103 0.000 2.077 363 E HA -0.210 4.141 4.350 0.002 0.000 0.193 363 E C 1.689 178.192 176.600 -0.163 0.000 0.989 363 E CA 1.371 57.694 56.400 -0.129 0.000 0.800 363 E CB 0.128 29.738 29.700 -0.149 0.000 0.746 363 E HN 0.140 nan 8.360 nan 0.000 0.452 364 K N 0.261 120.519 120.400 -0.236 0.000 2.209 364 K HA -0.057 4.264 4.320 0.002 0.000 0.204 364 K C 2.116 178.650 176.600 -0.109 0.000 1.048 364 K CA 0.638 56.809 56.287 -0.194 0.000 0.940 364 K CB -0.087 32.271 32.500 -0.237 0.000 0.729 364 K HN 0.152 nan 8.250 nan 0.000 0.451 365 L N -0.180 120.991 121.223 -0.088 0.000 2.072 365 L HA -0.150 4.190 4.340 0.002 0.000 0.205 365 L C 2.486 179.329 176.870 -0.046 0.000 1.079 365 L CA 0.912 55.718 54.840 -0.057 0.000 0.752 365 L CB -0.308 41.725 42.059 -0.044 0.000 0.906 365 L HN 0.166 nan 8.230 nan 0.000 0.436 366 Q N 0.849 120.620 119.800 -0.049 0.000 2.096 366 Q HA -0.241 4.099 4.340 0.002 0.000 0.204 366 Q C 1.948 177.927 176.000 -0.035 0.000 0.982 366 Q CA 1.768 57.549 55.803 -0.037 0.000 0.850 366 Q CB -0.081 28.635 28.738 -0.037 0.000 0.901 366 Q HN 0.419 nan 8.270 nan 0.000 0.422 367 E N -0.385 119.786 120.200 -0.048 0.000 2.160 367 E HA -0.207 4.144 4.350 0.002 0.000 0.195 367 E C 2.053 178.639 176.600 -0.023 0.000 0.991 367 E CA 0.998 57.376 56.400 -0.037 0.000 0.810 367 E CB -0.097 29.572 29.700 -0.053 0.000 0.742 367 E HN 0.320 nan 8.360 nan 0.000 0.466 368 R N 0.176 120.659 120.500 -0.028 0.000 2.189 368 R HA -0.073 4.268 4.340 0.002 0.000 0.223 368 R C 2.230 178.524 176.300 -0.010 0.000 1.092 368 R CA 0.568 56.658 56.100 -0.017 0.000 0.989 368 R CB 0.047 30.332 30.300 -0.026 0.000 0.876 368 R HN 0.051 nan 8.270 nan 0.000 0.457 369 V N 0.433 120.339 119.914 -0.013 0.000 2.302 369 V HA -0.146 3.975 4.120 0.002 0.000 0.243 369 V C 2.380 178.472 176.094 -0.004 0.000 1.036 369 V CA 1.869 64.164 62.300 -0.008 0.000 1.020 369 V CB -0.590 31.226 31.823 -0.010 0.000 0.657 369 V HN 0.349 nan 8.190 nan 0.000 0.453 370 A N -0.250 122.567 122.820 -0.006 0.000 1.883 370 A HA -0.197 4.124 4.320 0.002 0.000 0.217 370 A C 2.128 179.715 177.584 0.005 0.000 1.186 370 A CA 1.607 53.643 52.037 -0.002 0.000 0.624 370 A CB -0.399 18.597 19.000 -0.006 0.000 0.822 370 A HN 0.381 nan 8.150 nan 0.000 0.444 371 K N -0.976 119.431 120.400 0.010 0.000 2.504 371 K HA 0.079 4.400 4.320 0.002 0.000 0.195 371 K C 1.303 177.921 176.600 0.030 0.000 1.036 371 K CA 0.506 56.808 56.287 0.025 0.000 0.984 371 K CB -0.075 32.449 32.500 0.040 0.000 0.788 371 K HN 0.476 nan 8.250 nan 0.000 0.488 372 L N -1.305 119.930 121.223 0.019 0.000 2.500 372 L HA 0.278 4.619 4.340 0.002 0.000 0.219 372 L C 1.006 177.884 176.870 0.012 0.000 1.057 372 L CA 0.897 55.748 54.840 0.019 0.000 0.854 372 L CB 0.428 42.494 42.059 0.013 0.000 1.078 372 L HN -0.026 nan 8.230 nan 0.000 0.480 373 A N -1.516 121.308 122.820 0.007 0.000 2.622 373 A HA 0.494 4.815 4.320 0.002 0.000 0.283 373 A C 1.477 179.062 177.584 0.002 0.000 0.998 373 A CA 0.274 52.313 52.037 0.004 0.000 0.985 373 A CB -0.602 18.399 19.000 0.002 0.000 1.236 373 A HN 0.262 nan 8.150 nan 0.000 0.559 374 G N 0.133 108.935 108.800 0.002 0.000 2.848 374 G HA2 0.465 4.426 3.960 0.002 0.000 0.208 374 G HA3 0.465 4.426 3.960 0.002 0.000 0.208 374 G C 0.930 175.830 174.900 0.000 0.000 1.152 374 G CA 0.625 45.725 45.100 0.001 0.000 0.789 374 G HN 1.772 nan 8.290 nan 0.000 0.531 375 G N -1.757 107.044 108.800 0.001 0.000 2.788 375 G HA2 0.125 4.086 3.960 0.002 0.000 0.686 375 G HA3 0.125 4.086 3.960 0.002 0.000 0.686 375 G C -0.924 173.974 174.900 -0.002 0.000 1.147 375 G CA -0.502 44.597 45.100 -0.001 0.000 0.755 375 G HN 0.802 nan 8.290 nan 0.000 0.634 376 V N 1.613 121.525 119.914 -0.004 0.000 2.487 376 V HA 0.853 4.974 4.120 0.002 0.000 0.298 376 V C 0.734 176.823 176.094 -0.009 0.000 1.028 376 V CA -0.083 62.213 62.300 -0.007 0.000 0.860 376 V CB 1.413 33.231 31.823 -0.007 0.000 0.991 376 V HN 2.065 nan 8.190 nan 0.000 0.427 377 A N 4.442 127.255 122.820 -0.011 0.000 2.324 377 A HA 0.959 5.280 4.320 0.002 0.000 0.330 377 A C -0.512 177.063 177.584 -0.016 0.000 1.165 377 A CA -0.602 51.428 52.037 -0.012 0.000 0.813 377 A CB 1.778 20.771 19.000 -0.012 0.000 1.197 377 A HN 1.551 nan 8.150 nan 0.000 0.484 378 V N -0.145 119.759 119.914 -0.017 0.000 2.709 378 V HA 0.715 4.836 4.120 0.002 0.000 0.308 378 V C -0.786 175.296 176.094 -0.020 0.000 1.062 378 V CA -0.588 61.700 62.300 -0.020 0.000 0.901 378 V CB 1.420 33.231 31.823 -0.020 0.000 1.003 378 V HN 0.659 nan 8.190 nan 0.000 0.425 379 I N 3.733 124.289 120.570 -0.023 0.000 2.388 379 I HA 0.400 4.571 4.170 0.002 0.000 0.281 379 I C 0.237 176.340 176.117 -0.023 0.000 1.046 379 I CA -0.405 60.882 61.300 -0.023 0.000 1.187 379 I CB 1.118 39.103 38.000 -0.026 0.000 1.351 379 I HN 0.621 nan 8.210 nan 0.000 0.472 380 K N 5.302 125.690 120.400 -0.019 0.000 2.228 380 K HA 0.285 4.606 4.320 0.002 0.000 0.284 380 K C -0.386 176.205 176.600 -0.017 0.000 1.088 380 K CA -0.296 55.980 56.287 -0.018 0.000 0.941 380 K CB 0.749 33.240 32.500 -0.016 0.000 1.158 380 K HN 0.338 nan 8.250 nan 0.000 0.438 381 V N 2.482 122.385 119.914 -0.018 0.000 2.614 381 V HA 0.250 4.371 4.120 0.002 0.000 0.291 381 V C 0.925 177.011 176.094 -0.013 0.000 1.049 381 V CA -0.289 62.001 62.300 -0.017 0.000 1.038 381 V CB 1.247 33.058 31.823 -0.019 0.000 0.980 381 V HN 0.879 nan 8.190 nan 0.000 0.481 382 G N 2.316 111.109 108.800 -0.012 0.000 2.569 382 G HA2 0.913 4.874 3.960 0.002 0.000 0.300 382 G HA3 0.913 4.874 3.960 0.002 0.000 0.300 382 G C -0.804 174.091 174.900 -0.009 0.000 1.269 382 G CA -0.034 45.060 45.100 -0.010 0.000 0.959 382 G HN 1.228 nan 8.290 nan 0.000 0.478 383 A N -1.033 121.783 122.820 -0.007 0.000 2.438 383 A HA 0.782 5.103 4.320 0.002 0.000 0.301 383 A C 0.791 178.372 177.584 -0.005 0.000 1.101 383 A CA 0.509 52.542 52.037 -0.006 0.000 0.621 383 A CB 0.171 19.167 19.000 -0.006 0.000 1.350 383 A HN 2.011 nan 8.150 nan 0.000 0.496 384 A N -0.973 121.844 122.820 -0.005 0.000 2.119 384 A HA 0.482 4.803 4.320 0.002 0.000 0.216 384 A C 1.043 178.625 177.584 -0.004 0.000 1.152 384 A CA 2.181 54.216 52.037 -0.004 0.000 0.708 384 A CB -0.331 18.666 19.000 -0.004 0.000 0.805 384 A HN 1.915 nan 8.150 nan 0.000 0.460 385 T N -2.578 111.974 114.554 -0.003 0.000 2.889 385 T HA 0.303 4.654 4.350 0.002 0.000 0.315 385 T C 0.355 175.053 174.700 -0.003 0.000 1.291 385 T CA -0.261 61.838 62.100 -0.003 0.000 1.028 385 T CB 1.602 70.469 68.868 -0.002 0.000 1.235 385 T HN 0.262 nan 8.240 nan 0.000 0.491 386 E N 1.464 121.663 120.200 -0.002 0.000 2.204 386 E HA -0.086 4.265 4.350 0.002 0.000 0.195 386 E C 1.744 178.343 176.600 -0.001 0.000 0.990 386 E CA 1.265 57.664 56.400 -0.002 0.000 0.821 386 E CB 0.091 29.790 29.700 -0.002 0.000 0.750 386 E HN 0.512 nan 8.360 nan 0.000 0.477 387 V N 0.872 120.786 119.914 -0.000 0.000 2.358 387 V HA -0.217 3.904 4.120 0.002 0.000 0.246 387 V C 2.331 178.425 176.094 0.000 0.000 1.047 387 V CA 2.055 64.356 62.300 0.001 0.000 1.035 387 V CB -0.481 31.344 31.823 0.002 0.000 0.658 387 V HN 0.317 nan 8.190 nan 0.000 0.452 388 E N -0.078 120.121 120.200 -0.001 0.000 2.106 388 E HA -0.245 4.106 4.350 0.002 0.000 0.192 388 E C 2.245 178.843 176.600 -0.003 0.000 0.984 388 E CA 1.401 57.800 56.400 -0.002 0.000 0.806 388 E CB -0.147 29.552 29.700 -0.002 0.000 0.750 388 E HN 0.499 nan 8.360 nan 0.000 0.458 389 M N 0.912 120.510 119.600 -0.004 0.000 2.117 389 M HA -0.179 4.302 4.480 0.002 0.000 0.262 389 M C 1.907 178.204 176.300 -0.006 0.000 1.065 389 M CA 1.730 57.027 55.300 -0.006 0.000 1.114 389 M CB -0.256 32.340 32.600 -0.006 0.000 1.361 389 M HN -0.084 nan 8.290 nan 0.000 0.408 390 K N -0.029 120.369 120.400 -0.004 0.000 2.228 390 K HA -0.126 4.194 4.320 0.002 0.000 0.202 390 K C 2.040 178.639 176.600 -0.003 0.000 1.051 390 K CA 0.866 57.151 56.287 -0.004 0.000 0.960 390 K CB -0.028 32.471 32.500 -0.001 0.000 0.743 390 K HN 0.330 nan 8.250 nan 0.000 0.458 391 E N 1.552 121.751 120.200 -0.001 0.000 2.051 391 E HA -0.244 4.107 4.350 0.002 0.000 0.192 391 E C 1.755 178.353 176.600 -0.004 0.000 0.991 391 E CA 1.427 57.827 56.400 -0.000 0.000 0.799 391 E CB 0.068 29.769 29.700 0.001 0.000 0.748 391 E HN 0.173 nan 8.360 nan 0.000 0.449 392 K N 0.775 121.171 120.400 -0.006 0.000 2.063 392 K HA -0.184 4.137 4.320 0.002 0.000 0.208 392 K C 2.392 178.984 176.600 -0.014 0.000 1.048 392 K CA 1.539 57.820 56.287 -0.009 0.000 0.928 392 K CB -0.102 32.393 32.500 -0.009 0.000 0.713 392 K HN -0.055 nan 8.250 nan 0.000 0.442 393 K N 0.116 120.507 120.400 -0.015 0.000 2.032 393 K HA -0.148 4.173 4.320 0.002 0.000 0.209 393 K C 2.000 178.585 176.600 -0.025 0.000 1.048 393 K CA 1.352 57.626 56.287 -0.022 0.000 0.927 393 K CB -0.217 32.272 32.500 -0.019 0.000 0.712 393 K HN 0.233 nan 8.250 nan 0.000 0.441 394 A N 1.437 124.248 122.820 -0.014 0.000 1.978 394 A HA -0.215 4.106 4.320 0.002 0.000 0.220 394 A C 2.119 179.698 177.584 -0.009 0.000 1.170 394 A CA 1.717 53.749 52.037 -0.008 0.000 0.636 394 A CB -0.495 18.506 19.000 0.003 0.000 0.810 394 A HN 0.388 nan 8.150 nan 0.000 0.448 395 R N -0.634 119.860 120.500 -0.010 0.000 2.057 395 R HA -0.040 4.301 4.340 0.002 0.000 0.229 395 R C 1.910 178.197 176.300 -0.021 0.000 1.136 395 R CA 1.543 57.638 56.100 -0.008 0.000 0.952 395 R CB -0.372 29.925 30.300 -0.005 0.000 0.848 395 R HN 0.261 nan 8.270 nan 0.000 0.430 396 V N 1.574 121.470 119.914 -0.031 0.000 2.469 396 V HA -0.233 3.888 4.120 0.002 0.000 0.251 396 V C 1.971 178.017 176.094 -0.080 0.000 1.064 396 V CA 2.011 64.284 62.300 -0.044 0.000 1.066 396 V CB -0.488 31.311 31.823 -0.039 0.000 0.667 396 V HN 0.426 nan 8.190 nan 0.000 0.461 397 E N 0.163 120.300 120.200 -0.106 0.000 2.031 397 E HA -0.263 4.088 4.350 0.002 0.000 0.193 397 E C 1.939 178.356 176.600 -0.304 0.000 0.994 397 E CA 1.815 58.086 56.400 -0.216 0.000 0.800 397 E CB -0.217 29.384 29.700 -0.165 0.000 0.752 397 E HN 0.651 nan 8.360 nan 0.000 0.447 398 D N -0.129 120.212 120.400 -0.100 0.000 2.224 398 D HA -0.062 4.579 4.640 0.002 0.000 0.205 398 D C 1.696 178.019 176.300 0.039 0.000 0.965 398 D CA 0.958 54.988 54.000 0.050 0.000 0.852 398 D CB 0.078 40.936 40.800 0.096 0.000 0.947 398 D HN 0.183 nan 8.370 nan 0.000 0.494 399 A N 0.164 122.979 122.820 -0.009 0.000 1.969 399 A HA -0.067 4.254 4.320 0.002 0.000 0.218 399 A C 2.019 179.598 177.584 -0.008 0.000 1.169 399 A CA 0.622 52.659 52.037 -0.001 0.000 0.635 399 A CB -0.541 18.453 19.000 -0.010 0.000 0.810 399 A HN 0.307 nan 8.150 nan 0.000 0.445 400 L N -1.407 119.783 121.223 -0.055 0.000 2.044 400 L HA -0.135 4.206 4.340 0.002 0.000 0.205 400 L C 2.623 179.503 176.870 0.017 0.000 1.075 400 L CA 1.361 56.169 54.840 -0.053 0.000 0.747 400 L CB -0.464 41.526 42.059 -0.115 0.000 0.903 400 L HN 0.443 nan 8.230 nan 0.000 0.435 401 H N 0.107 119.176 119.070 -0.001 0.000 2.289 401 H HA -0.199 4.358 4.556 0.002 0.000 0.294 401 H C 2.226 177.556 175.328 0.003 0.000 1.095 401 H CA 1.580 57.629 56.048 0.000 0.000 1.256 401 H CB -0.696 29.067 29.762 0.002 0.000 1.359 401 H HN 0.524 nan 8.280 nan 0.000 0.487 402 A N 0.334 123.239 122.820 0.142 0.000 1.902 402 A HA -0.183 4.138 4.320 0.002 0.000 0.217 402 A C 2.679 180.295 177.584 0.053 0.000 1.181 402 A CA 2.251 54.335 52.037 0.078 0.000 0.623 402 A CB -0.943 18.093 19.000 0.060 0.000 0.818 402 A HN 0.468 nan 8.150 nan 0.000 0.443 403 T N -0.436 114.144 114.554 0.042 0.000 2.674 403 T HA -0.142 4.209 4.350 0.002 0.000 0.265 403 T C 2.097 176.815 174.700 0.029 0.000 1.039 403 T CA 1.533 63.649 62.100 0.027 0.000 1.150 403 T CB -0.235 68.641 68.868 0.014 0.000 0.864 403 T HN 0.467 nan 8.240 nan 0.000 0.427 404 R N 0.669 121.192 120.500 0.038 0.000 2.115 404 R HA 0.092 4.433 4.340 0.002 0.000 0.230 404 R C 2.775 179.095 176.300 0.034 0.000 1.111 404 R CA 1.032 57.153 56.100 0.035 0.000 0.976 404 R CB -0.419 29.905 30.300 0.040 0.000 0.870 404 R HN 0.362 nan 8.270 nan 0.000 0.445 405 A N 1.211 124.055 122.820 0.041 0.000 1.902 405 A HA -0.120 4.201 4.320 0.002 0.000 0.217 405 A C 2.336 179.935 177.584 0.026 0.000 1.181 405 A CA 1.721 53.777 52.037 0.031 0.000 0.623 405 A CB -0.484 18.537 19.000 0.035 0.000 0.818 405 A HN 0.383 nan 8.150 nan 0.000 0.443 406 A N -0.633 122.203 122.820 0.027 0.000 1.930 406 A HA 0.045 4.366 4.320 0.002 0.000 0.217 406 A C 2.157 179.751 177.584 0.017 0.000 1.175 406 A CA 1.547 53.597 52.037 0.021 0.000 0.627 406 A CB -0.876 18.136 19.000 0.021 0.000 0.815 406 A HN 0.387 nan 8.150 nan 0.000 0.443 407 V N 0.509 120.433 119.914 0.017 0.000 2.469 407 V HA -0.230 3.891 4.120 0.002 0.000 0.251 407 V C 1.770 177.872 176.094 0.013 0.000 1.064 407 V CA 2.014 64.322 62.300 0.014 0.000 1.066 407 V CB -0.710 31.120 31.823 0.013 0.000 0.667 407 V HN 0.602 nan 8.190 nan 0.000 0.461 408 E N -0.978 119.231 120.200 0.014 0.000 2.335 408 E HA 0.066 4.417 4.350 0.002 0.000 0.191 408 E C 1.275 177.881 176.600 0.011 0.000 1.077 408 E CA 0.129 56.537 56.400 0.013 0.000 1.010 408 E CB 0.275 29.983 29.700 0.014 0.000 1.141 408 E HN 0.696 nan 8.360 nan 0.000 0.452 409 E N -1.269 118.937 120.200 0.010 0.000 1.845 409 E HA 0.078 4.429 4.350 0.002 0.000 0.211 409 E C 0.413 177.017 176.600 0.007 0.000 1.033 409 E CA 0.474 56.878 56.400 0.007 0.000 1.310 409 E CB 0.584 30.287 29.700 0.005 0.000 4.050 409 E HN 0.224 nan 8.360 nan 0.000 0.920 410 G N 0.264 109.069 108.800 0.009 0.000 2.293 410 G HA2 0.171 4.132 3.960 0.002 0.000 0.282 410 G HA3 0.171 4.132 3.960 0.002 0.000 0.282 410 G C -1.198 173.708 174.900 0.011 0.000 1.299 410 G CA -0.416 44.689 45.100 0.009 0.000 1.018 410 G HN 0.825 nan 8.290 nan 0.000 0.478 411 V N -1.908 118.012 119.914 0.010 0.000 2.823 411 V HA 0.951 5.072 4.120 0.002 0.000 0.312 411 V C 0.485 176.585 176.094 0.011 0.000 1.072 411 V CA -0.030 62.276 62.300 0.011 0.000 0.937 411 V CB 1.118 32.948 31.823 0.010 0.000 1.013 411 V HN 2.298 nan 8.190 nan 0.000 0.430 412 V N 0.696 120.618 119.914 0.012 0.000 3.103 412 V HA 1.000 5.121 4.120 0.002 0.000 0.318 412 V C 0.701 176.805 176.094 0.016 0.000 1.114 412 V CA -0.564 61.744 62.300 0.014 0.000 1.020 412 V CB 1.405 33.237 31.823 0.014 0.000 1.085 412 V HN 2.002 nan 8.190 nan 0.000 0.446 413 A N 1.074 123.906 122.820 0.020 0.000 2.545 413 A HA 0.600 4.921 4.320 0.002 0.000 0.253 413 A C 0.761 178.361 177.584 0.026 0.000 1.074 413 A CA 0.649 52.700 52.037 0.024 0.000 0.760 413 A CB -0.883 18.135 19.000 0.031 0.000 1.005 413 A HN 1.822 nan 8.150 nan 0.000 0.506 414 G N 0.744 109.557 108.800 0.022 0.000 2.583 414 G HA2 0.549 4.510 3.960 0.002 0.000 0.280 414 G HA3 0.549 4.510 3.960 0.002 0.000 0.280 414 G C 1.061 175.974 174.900 0.022 0.000 1.376 414 G CA -0.164 44.948 45.100 0.019 0.000 1.043 414 G HN 2.160 nan 8.290 nan 0.000 0.538 415 G N -2.023 106.788 108.800 0.018 0.000 2.203 415 G HA2 0.205 4.166 3.960 0.002 0.000 0.263 415 G HA3 0.205 4.166 3.960 0.002 0.000 0.263 415 G C 1.494 176.414 174.900 0.032 0.000 1.012 415 G CA 1.311 46.423 45.100 0.020 0.000 0.749 415 G HN 2.505 nan 8.290 nan 0.000 0.512 416 G N -2.662 106.157 108.800 0.032 0.000 2.179 416 G HA2 -0.181 3.780 3.960 0.002 0.000 0.260 416 G HA3 -0.181 3.780 3.960 0.002 0.000 0.260 416 G C 1.485 176.411 174.900 0.043 0.000 0.977 416 G CA 1.442 46.563 45.100 0.036 0.000 0.641 416 G HN 1.660 nan 8.290 nan 0.000 0.533 417 V N 0.743 120.687 119.914 0.049 0.000 2.343 417 V HA 0.102 4.223 4.120 0.002 0.000 0.247 417 V C 3.077 179.201 176.094 0.050 0.000 1.051 417 V CA 3.049 65.387 62.300 0.062 0.000 1.036 417 V CB -0.622 31.246 31.823 0.076 0.000 0.654 417 V HN 1.165 nan 8.190 nan 0.000 0.451 418 A N -0.279 122.564 122.820 0.039 0.000 1.883 418 A HA -0.222 4.099 4.320 0.002 0.000 0.217 418 A C 2.147 179.746 177.584 0.026 0.000 1.186 418 A CA 2.222 54.277 52.037 0.030 0.000 0.624 418 A CB -0.803 18.211 19.000 0.024 0.000 0.822 418 A HN 0.552 nan 8.150 nan 0.000 0.444 419 L N 0.052 121.290 121.223 0.026 0.000 2.012 419 L HA -0.166 4.175 4.340 0.002 0.000 0.210 419 L C 2.260 179.145 176.870 0.025 0.000 1.073 419 L CA 1.888 56.742 54.840 0.022 0.000 0.748 419 L CB -0.459 41.613 42.059 0.022 0.000 0.891 419 L HN 0.463 nan 8.230 nan 0.000 0.431 420 I N -0.938 119.652 120.570 0.033 0.000 2.226 420 I HA -0.276 3.895 4.170 0.002 0.000 0.245 420 I C 2.404 178.538 176.117 0.030 0.000 1.100 420 I CA 0.829 62.150 61.300 0.035 0.000 1.374 420 I CB -0.397 37.633 38.000 0.050 0.000 1.057 420 I HN 0.251 nan 8.210 nan 0.000 0.413 421 R N 0.533 121.052 120.500 0.031 0.000 2.115 421 R HA -0.070 4.271 4.340 0.002 0.000 0.226 421 R C 2.249 178.558 176.300 0.016 0.000 1.100 421 R CA 1.477 57.592 56.100 0.024 0.000 0.980 421 R CB -1.342 28.974 30.300 0.027 0.000 0.875 421 R HN 0.463 nan 8.270 nan 0.000 0.445 422 V N -1.618 118.305 119.914 0.015 0.000 2.667 422 V HA 0.096 4.217 4.120 0.002 0.000 0.252 422 V C 2.213 178.312 176.094 0.008 0.000 1.065 422 V CA 1.321 63.627 62.300 0.010 0.000 1.083 422 V CB -0.839 30.988 31.823 0.007 0.000 0.692 422 V HN 0.122 nan 8.190 nan 0.000 0.468 423 A N 2.071 124.897 122.820 0.011 0.000 1.877 423 A HA -0.156 4.165 4.320 0.002 0.000 0.216 423 A C 2.601 180.190 177.584 0.008 0.000 1.186 423 A CA 2.643 54.686 52.037 0.010 0.000 0.620 423 A CB -1.087 17.921 19.000 0.013 0.000 0.822 423 A HN 0.914 nan 8.150 nan 0.000 0.443 424 S N -0.164 115.541 115.700 0.009 0.000 2.383 424 S HA -0.137 4.334 4.470 0.002 0.000 0.227 424 S C 1.800 176.402 174.600 0.003 0.000 1.026 424 S CA 1.337 59.541 58.200 0.006 0.000 0.981 424 S CB -0.376 62.827 63.200 0.005 0.000 0.818 424 S HN 0.562 nan 8.310 nan 0.000 0.472 425 K N 1.015 121.418 120.400 0.004 0.000 2.160 425 K HA 0.037 4.358 4.320 0.002 0.000 0.206 425 K C 1.485 178.086 176.600 0.001 0.000 1.047 425 K CA 1.367 57.656 56.287 0.002 0.000 0.930 425 K CB -0.432 32.070 32.500 0.003 0.000 0.720 425 K HN 0.435 nan 8.250 nan 0.000 0.450 426 L N -0.229 120.995 121.223 0.002 0.000 2.611 426 L HA 0.133 4.473 4.340 0.002 0.000 0.229 426 L C 1.974 178.845 176.870 0.001 0.000 1.137 426 L CA -0.261 54.579 54.840 0.001 0.000 0.901 426 L CB -0.129 41.930 42.059 0.001 0.000 1.098 426 L HN 0.120 nan 8.230 nan 0.000 0.456 427 A N 0.175 122.996 122.820 0.001 0.000 1.978 427 A HA -0.253 4.068 4.320 0.002 0.000 0.220 427 A C 2.034 179.617 177.584 -0.000 0.000 1.170 427 A CA 1.949 53.986 52.037 0.000 0.000 0.636 427 A CB -0.281 18.719 19.000 -0.000 0.000 0.810 427 A HN 0.334 nan 8.150 nan 0.000 0.448 428 D N -1.086 119.313 120.400 -0.001 0.000 2.317 428 D HA 0.012 4.653 4.640 0.002 0.000 0.211 428 D C 0.484 176.784 176.300 -0.001 0.000 0.966 428 D CA 0.003 54.002 54.000 -0.001 0.000 0.876 428 D CB -0.206 40.593 40.800 -0.001 0.000 0.927 428 D HN 0.297 nan 8.370 nan 0.000 0.519 429 L N 1.609 122.831 121.223 -0.001 0.000 2.455 429 L HA 0.140 4.481 4.340 0.002 0.000 0.272 429 L C 0.017 176.887 176.870 -0.000 0.000 1.174 429 L CA 0.488 55.328 54.840 -0.001 0.000 0.869 429 L CB 0.347 42.405 42.059 -0.001 0.000 1.130 429 L HN -0.191 nan 8.230 nan 0.000 0.474 430 R N 3.010 123.510 120.500 -0.000 0.000 2.888 430 R HA 0.710 5.051 4.340 0.002 0.000 0.266 430 R C -0.135 176.165 176.300 0.000 0.000 1.020 430 R CA -0.379 55.721 56.100 0.000 0.000 0.963 430 R CB 1.410 31.710 30.300 0.000 0.000 1.197 430 R HN 0.792 nan 8.270 nan 0.000 0.481 431 G N -0.370 108.431 108.800 0.001 0.000 2.990 431 G HA2 0.200 4.161 3.960 0.002 0.000 0.208 431 G HA3 0.200 4.161 3.960 0.002 0.000 0.208 431 G C 0.087 174.988 174.900 0.001 0.000 1.334 431 G CA -0.259 44.841 45.100 0.001 0.000 1.024 431 G HN 0.415 nan 8.290 nan 0.000 0.574 432 Q N -0.455 119.346 119.800 0.001 0.000 2.311 432 Q HA 0.084 4.425 4.340 0.002 0.000 0.203 432 Q C 0.049 176.050 176.000 0.002 0.000 0.954 432 Q CA 1.044 56.848 55.803 0.002 0.000 0.885 432 Q CB 0.024 28.763 28.738 0.002 0.000 0.963 432 Q HN 0.614 nan 8.270 nan 0.000 0.471 433 N N -2.525 116.177 118.700 0.002 0.000 3.116 433 N HA 0.019 4.760 4.740 0.002 0.000 0.244 433 N C -0.311 175.201 175.510 0.003 0.000 1.485 433 N CA -0.550 52.501 53.050 0.003 0.000 0.884 433 N CB 0.495 38.984 38.487 0.003 0.000 1.415 433 N HN -0.255 nan 8.380 nan 0.000 0.524 434 E N -0.312 119.889 120.200 0.003 0.000 2.106 434 E HA -0.066 4.285 4.350 0.002 0.000 0.192 434 E C 0.168 176.770 176.600 0.004 0.000 0.984 434 E CA 1.627 58.029 56.400 0.003 0.000 0.806 434 E CB -0.277 29.425 29.700 0.003 0.000 0.750 434 E HN 0.671 nan 8.360 nan 0.000 0.458 435 D N -0.107 120.296 120.400 0.004 0.000 2.149 435 D HA -0.187 4.454 4.640 0.002 0.000 0.198 435 D C 1.812 178.115 176.300 0.005 0.000 0.990 435 D CA 1.209 55.212 54.000 0.006 0.000 0.839 435 D CB -0.070 40.734 40.800 0.006 0.000 0.948 435 D HN 0.284 nan 8.370 nan 0.000 0.460 436 Q N -0.152 119.651 119.800 0.005 0.000 2.123 436 Q HA -0.054 4.287 4.340 0.002 0.000 0.199 436 Q C 1.691 177.693 176.000 0.003 0.000 0.966 436 Q CA 0.635 56.440 55.803 0.004 0.000 0.845 436 Q CB 0.050 28.790 28.738 0.003 0.000 0.907 436 Q HN 0.280 nan 8.270 nan 0.000 0.439 437 N N 0.204 118.906 118.700 0.003 0.000 2.120 437 N HA -0.130 4.611 4.740 0.002 0.000 0.188 437 N C 1.878 177.390 175.510 0.003 0.000 1.024 437 N CA 1.085 54.136 53.050 0.003 0.000 0.852 437 N CB -0.340 38.149 38.487 0.002 0.000 1.003 437 N HN 0.048 nan 8.380 nan 0.000 0.424 438 V N 0.934 120.850 119.914 0.004 0.000 2.343 438 V HA -0.142 3.979 4.120 0.002 0.000 0.247 438 V C 2.452 178.549 176.094 0.005 0.000 1.051 438 V CA 1.999 64.302 62.300 0.005 0.000 1.036 438 V CB -1.238 30.588 31.823 0.005 0.000 0.654 438 V HN 0.346 nan 8.190 nan 0.000 0.451 439 G N -0.062 108.741 108.800 0.005 0.000 2.418 439 G HA2 -0.228 3.733 3.960 0.002 0.000 0.217 439 G HA3 -0.228 3.733 3.960 0.002 0.000 0.217 439 G C 1.575 176.478 174.900 0.005 0.000 1.158 439 G CA 1.102 46.205 45.100 0.006 0.000 0.771 439 G HN 0.480 nan 8.290 nan 0.000 0.545 440 I N 0.224 120.796 120.570 0.003 0.000 2.099 440 I HA -0.165 4.006 4.170 0.002 0.000 0.239 440 I C 2.722 178.841 176.117 0.003 0.000 1.066 440 I CA 1.336 62.638 61.300 0.002 0.000 1.324 440 I CB -0.096 37.905 38.000 0.001 0.000 1.037 440 I HN -0.001 nan 8.210 nan 0.000 0.401 441 K N 0.368 120.770 120.400 0.004 0.000 2.211 441 K HA -0.050 4.271 4.320 0.002 0.000 0.203 441 K C 1.878 178.481 176.600 0.006 0.000 1.050 441 K CA 0.691 56.980 56.287 0.004 0.000 0.945 441 K CB -0.557 31.945 32.500 0.004 0.000 0.732 441 K HN 0.129 nan 8.250 nan 0.000 0.451 442 V N 0.667 120.584 119.914 0.006 0.000 2.343 442 V HA -0.268 3.853 4.120 0.002 0.000 0.247 442 V C 2.151 178.250 176.094 0.008 0.000 1.051 442 V CA 2.019 64.324 62.300 0.008 0.000 1.036 442 V CB -0.655 31.173 31.823 0.009 0.000 0.654 442 V HN 0.348 nan 8.190 nan 0.000 0.451 443 A N -0.186 122.638 122.820 0.007 0.000 1.877 443 A HA -0.145 4.176 4.320 0.002 0.000 0.216 443 A C 2.166 179.754 177.584 0.007 0.000 1.186 443 A CA 1.737 53.778 52.037 0.006 0.000 0.620 443 A CB -0.524 18.478 19.000 0.003 0.000 0.822 443 A HN 0.513 nan 8.150 nan 0.000 0.443 444 L N -1.245 119.982 121.223 0.006 0.000 2.083 444 L HA -0.168 4.173 4.340 0.002 0.000 0.209 444 L C 2.710 179.585 176.870 0.009 0.000 1.083 444 L CA 1.554 56.398 54.840 0.007 0.000 0.752 444 L CB -0.581 41.481 42.059 0.006 0.000 0.899 444 L HN 0.381 nan 8.230 nan 0.000 0.433 445 R N 0.187 120.693 120.500 0.009 0.000 2.249 445 R HA -0.150 4.191 4.340 0.002 0.000 0.230 445 R C 1.992 178.300 176.300 0.012 0.000 1.121 445 R CA 1.155 57.261 56.100 0.010 0.000 0.997 445 R CB -0.063 30.243 30.300 0.009 0.000 0.867 445 R HN 0.399 nan 8.270 nan 0.000 0.465 446 A N -0.628 122.199 122.820 0.013 0.000 2.169 446 A HA 0.078 4.399 4.320 0.002 0.000 0.210 446 A C 1.785 179.379 177.584 0.016 0.000 1.168 446 A CA -0.055 51.991 52.037 0.015 0.000 0.813 446 A CB 0.065 19.074 19.000 0.015 0.000 0.861 446 A HN 0.195 nan 8.150 nan 0.000 0.481 447 M N -0.337 119.272 119.600 0.015 0.000 2.374 447 M HA -0.090 4.391 4.480 0.002 0.000 0.264 447 M C 1.369 177.682 176.300 0.021 0.000 1.067 447 M CA 1.092 56.402 55.300 0.017 0.000 1.103 447 M CB -0.207 32.401 32.600 0.014 0.000 1.402 447 M HN 0.433 nan 8.290 nan 0.000 0.444 448 E N 0.264 120.477 120.200 0.021 0.000 2.435 448 E HA 0.009 4.360 4.350 0.002 0.000 0.195 448 E C 2.007 178.622 176.600 0.025 0.000 1.029 448 E CA 0.416 56.831 56.400 0.025 0.000 0.865 448 E CB 0.064 29.779 29.700 0.024 0.000 0.833 448 E HN 0.469 nan 8.360 nan 0.000 0.510 449 A N 2.308 125.141 122.820 0.022 0.000 1.908 449 A HA -0.115 4.206 4.320 0.002 0.000 0.218 449 A C -0.348 177.250 177.584 0.024 0.000 1.181 449 A CA 1.101 53.151 52.037 0.022 0.000 0.627 449 A CB -1.288 17.724 19.000 0.020 0.000 0.818 449 A HN 0.131 nan 8.150 nan 0.000 0.445 450 P HA -0.172 nan 4.420 nan 0.000 0.214 450 P C 1.846 179.163 177.300 0.028 0.000 1.163 450 P CA 0.865 63.980 63.100 0.026 0.000 0.883 450 P CB -0.151 31.565 31.700 0.026 0.000 0.788 451 L N -0.010 121.233 121.223 0.033 0.000 2.017 451 L HA -0.165 4.176 4.340 0.002 0.000 0.208 451 L C 2.155 179.047 176.870 0.038 0.000 1.073 451 L CA 2.139 57.003 54.840 0.040 0.000 0.745 451 L CB -0.980 41.108 42.059 0.048 0.000 0.894 451 L HN -0.054 nan 8.230 nan 0.000 0.432 452 R N -0.753 119.766 120.500 0.032 0.000 2.096 452 R HA -0.163 4.178 4.340 0.002 0.000 0.235 452 R C 2.180 178.495 176.300 0.025 0.000 1.127 452 R CA 1.279 57.395 56.100 0.027 0.000 0.968 452 R CB -0.125 30.189 30.300 0.023 0.000 0.861 452 R HN 0.520 nan 8.270 nan 0.000 0.440 453 Q N 0.332 120.147 119.800 0.024 0.000 2.230 453 Q HA -0.039 4.302 4.340 0.002 0.000 0.202 453 Q C 2.154 178.168 176.000 0.022 0.000 0.963 453 Q CA 1.043 56.858 55.803 0.021 0.000 0.866 453 Q CB 0.028 28.778 28.738 0.020 0.000 0.931 453 Q HN 0.426 nan 8.270 nan 0.000 0.452 454 I N -0.068 120.517 120.570 0.025 0.000 2.179 454 I HA -0.242 3.929 4.170 0.002 0.000 0.242 454 I C 2.181 178.316 176.117 0.031 0.000 1.088 454 I CA 0.904 62.220 61.300 0.026 0.000 1.357 454 I CB -0.265 37.752 38.000 0.028 0.000 1.051 454 I HN -0.047 nan 8.210 nan 0.000 0.409 455 V N 0.469 120.406 119.914 0.038 0.000 2.515 455 V HA -0.227 3.894 4.120 0.002 0.000 0.250 455 V C 2.285 178.398 176.094 0.031 0.000 1.058 455 V CA 1.243 63.569 62.300 0.044 0.000 1.064 455 V CB -0.446 31.406 31.823 0.047 0.000 0.675 455 V HN 0.348 nan 8.190 nan 0.000 0.461 456 L N 0.442 121.679 121.223 0.024 0.000 2.109 456 L HA -0.063 4.278 4.340 0.002 0.000 0.207 456 L C 2.165 179.045 176.870 0.017 0.000 1.086 456 L CA 1.730 56.581 54.840 0.019 0.000 0.760 456 L CB -0.927 41.142 42.059 0.016 0.000 0.910 456 L HN 0.293 nan 8.230 nan 0.000 0.437 457 N N -0.787 117.923 118.700 0.017 0.000 2.104 457 N HA -0.221 4.520 4.740 0.002 0.000 0.190 457 N C 1.792 177.311 175.510 0.014 0.000 1.024 457 N CA 1.924 54.983 53.050 0.014 0.000 0.853 457 N CB -0.266 38.229 38.487 0.013 0.000 1.008 457 N HN 0.454 nan 8.380 nan 0.000 0.424 458 C N -0.155 119.156 119.300 0.018 0.000 2.410 458 C HA -0.011 4.450 4.460 0.002 0.000 0.281 458 C C 1.806 176.807 174.990 0.018 0.000 1.318 458 C CA 0.699 59.729 59.018 0.020 0.000 1.776 458 C CB -1.313 26.447 27.740 0.032 0.000 1.942 458 C HN 0.690 nan 8.230 nan 0.000 0.508 459 G N 0.673 109.484 108.800 0.018 0.000 2.143 459 G HA2 -0.206 3.755 3.960 0.002 0.000 0.248 459 G HA3 -0.206 3.755 3.960 0.002 0.000 0.248 459 G C -0.269 174.641 174.900 0.018 0.000 0.991 459 G CA 0.374 45.483 45.100 0.016 0.000 0.689 459 G HN 0.657 nan 8.290 nan 0.000 0.522 460 E N -0.240 119.974 120.200 0.023 0.000 2.264 460 E HA 0.460 4.811 4.350 0.002 0.000 0.260 460 E C -0.303 176.306 176.600 0.016 0.000 0.961 460 E CA -0.914 55.501 56.400 0.025 0.000 0.834 460 E CB 1.293 31.019 29.700 0.044 0.000 1.230 460 E HN 0.354 nan 8.360 nan 0.000 0.412 461 E N 1.880 122.083 120.200 0.004 0.000 2.166 461 E HA 0.044 4.394 4.350 0.002 0.000 0.279 461 E C -1.796 174.798 176.600 -0.009 0.000 1.095 461 E CA -1.527 54.871 56.400 -0.003 0.000 0.888 461 E CB 0.664 30.360 29.700 -0.007 0.000 1.041 461 E HN 0.227 nan 8.360 nan 0.000 0.414 462 P HA -0.188 nan 4.420 nan 0.000 0.219 462 P C 1.421 178.722 177.300 0.000 0.000 1.150 462 P CA 0.976 64.079 63.100 0.005 0.000 0.814 462 P CB 0.244 31.953 31.700 0.013 0.000 0.787 463 S N -0.615 115.084 115.700 -0.002 0.000 2.351 463 S HA -0.163 4.308 4.470 0.002 0.000 0.220 463 S C 2.013 176.608 174.600 -0.008 0.000 1.035 463 S CA 1.813 60.012 58.200 -0.002 0.000 1.031 463 S CB -1.844 61.355 63.200 -0.002 0.000 0.928 463 S HN -0.028 nan 8.310 nan 0.000 0.433 464 V N 1.931 121.833 119.914 -0.020 0.000 2.295 464 V HA -0.136 3.985 4.120 0.002 0.000 0.246 464 V C 2.712 178.781 176.094 -0.041 0.000 1.049 464 V CA 1.728 64.010 62.300 -0.030 0.000 1.024 464 V CB -0.973 30.826 31.823 -0.041 0.000 0.648 464 V HN 0.458 nan 8.190 nan 0.000 0.447 465 V N 0.357 120.222 119.914 -0.082 0.000 2.295 465 V HA -0.235 3.886 4.120 0.002 0.000 0.246 465 V C 2.741 178.846 176.094 0.019 0.000 1.049 465 V CA 1.987 64.220 62.300 -0.113 0.000 1.024 465 V CB -1.194 30.540 31.823 -0.148 0.000 0.648 465 V HN 0.551 nan 8.190 nan 0.000 0.447 466 A N 0.318 123.153 122.820 0.025 0.000 1.902 466 A HA -0.227 4.094 4.320 0.002 0.000 0.217 466 A C 2.060 179.676 177.584 0.052 0.000 1.181 466 A CA 2.059 54.124 52.037 0.047 0.000 0.623 466 A CB -0.591 18.428 19.000 0.032 0.000 0.818 466 A HN 0.623 nan 8.150 nan 0.000 0.443 467 N N -0.605 118.114 118.700 0.032 0.000 2.416 467 N HA -0.093 4.648 4.740 0.002 0.000 0.177 467 N C 1.840 177.362 175.510 0.020 0.000 1.036 467 N CA 1.667 54.729 53.050 0.020 0.000 0.901 467 N CB -0.225 38.264 38.487 0.003 0.000 0.976 467 N HN 0.740 nan 8.380 nan 0.000 0.444 468 T N -1.266 113.315 114.554 0.045 0.000 2.812 468 T HA -0.001 4.350 4.350 0.002 0.000 0.264 468 T C 2.213 177.019 174.700 0.177 0.000 1.042 468 T CA 0.644 62.771 62.100 0.045 0.000 1.140 468 T CB -0.738 68.151 68.868 0.035 0.000 0.870 468 T HN -0.169 nan 8.240 nan 0.000 0.445 469 V N 2.130 122.214 119.914 0.283 0.000 2.332 469 V HA -0.200 3.921 4.120 0.002 0.000 0.248 469 V C 2.792 179.011 176.094 0.207 0.000 1.055 469 V CA 1.972 64.481 62.300 0.348 0.000 1.038 469 V CB -0.638 31.340 31.823 0.258 0.000 0.651 469 V HN 0.522 nan 8.190 nan 0.000 0.450 470 K N -0.094 120.368 120.400 0.103 0.000 2.148 470 K HA -0.084 4.237 4.320 0.002 0.000 0.204 470 K C 2.154 178.744 176.600 -0.017 0.000 1.050 470 K CA 1.303 57.616 56.287 0.042 0.000 0.942 470 K CB -0.463 32.053 32.500 0.026 0.000 0.724 470 K HN 0.578 nan 8.250 nan 0.000 0.446 471 G N 0.867 109.634 108.800 -0.055 0.000 2.430 471 G HA2 -0.033 3.928 3.960 0.002 0.000 0.216 471 G HA3 -0.033 3.928 3.960 0.002 0.000 0.216 471 G C 0.676 175.414 174.900 -0.270 0.000 1.146 471 G CA 0.349 45.370 45.100 -0.132 0.000 0.793 471 G HN 0.333 nan 8.290 nan 0.000 0.537 472 G N -0.245 108.268 108.800 -0.478 0.000 2.537 472 G HA2 0.428 4.389 3.960 0.002 0.000 0.273 472 G HA3 0.428 4.389 3.960 0.002 0.000 0.273 472 G C -0.915 173.739 174.900 -0.410 0.000 1.189 472 G CA -0.459 44.079 45.100 -0.936 0.000 0.881 472 G HN 0.056 nan 8.290 nan 0.000 0.535 473 D N -0.055 120.165 120.400 -0.300 0.000 2.302 473 D HA 0.403 5.044 4.640 0.002 0.000 0.248 473 D C 1.363 177.683 176.300 0.034 0.000 1.094 473 D CA 1.092 55.041 54.000 -0.085 0.000 0.897 473 D CB 1.496 42.258 40.800 -0.064 0.000 1.200 473 D HN 0.647 nan 8.370 nan 0.000 0.429 474 G N 3.893 112.715 108.800 0.035 0.000 2.793 474 G HA2 -0.421 3.540 3.960 0.002 0.000 0.334 474 G HA3 -0.421 3.540 3.960 0.002 0.000 0.334 474 G C 0.738 175.691 174.900 0.089 0.000 1.186 474 G CA 0.734 45.867 45.100 0.054 0.000 0.960 474 G HN 0.667 nan 8.290 nan 0.000 0.562 475 N N -0.049 118.713 118.700 0.104 0.000 2.322 475 N HA 0.270 5.011 4.740 0.002 0.000 0.194 475 N C 0.373 175.980 175.510 0.162 0.000 1.126 475 N CA -0.119 52.996 53.050 0.108 0.000 0.845 475 N CB 0.296 38.827 38.487 0.073 0.000 0.976 475 N HN 0.515 nan 8.380 nan 0.000 0.475 476 Y N 1.708 122.041 120.300 0.054 0.000 2.717 476 Y HA 0.207 4.758 4.550 0.002 0.000 0.330 476 Y C 0.630 176.600 175.900 0.118 0.000 1.217 476 Y CA 0.098 58.248 58.100 0.083 0.000 1.506 476 Y CB 0.321 38.821 38.460 0.066 0.000 1.268 476 Y HN -0.046 nan 8.280 nan 0.000 0.561 477 G N 4.465 113.217 108.800 -0.080 0.000 2.704 477 G HA2 0.260 4.221 3.960 0.002 0.000 0.293 477 G HA3 0.260 4.221 3.960 0.002 0.000 0.293 477 G C -2.483 172.384 174.900 -0.055 0.000 1.421 477 G CA -0.934 44.173 45.100 0.012 0.000 0.870 477 G HN 0.567 nan 8.290 nan 0.000 0.492 478 Y N 2.045 122.276 120.300 -0.114 0.000 2.404 478 Y HA 0.370 4.921 4.550 0.002 0.000 0.344 478 Y C 0.580 176.332 175.900 -0.247 0.000 0.995 478 Y CA -1.236 56.659 58.100 -0.342 0.000 1.201 478 Y CB 0.947 39.210 38.460 -0.327 0.000 1.151 478 Y HN 0.443 nan 8.280 nan 0.000 0.517 479 N N 5.178 123.507 118.700 -0.618 0.000 2.406 479 N HA 0.041 4.782 4.740 0.002 0.000 0.269 479 N C 0.563 175.638 175.510 -0.725 0.000 1.210 479 N CA 0.609 53.356 53.050 -0.506 0.000 0.966 479 N CB 0.879 39.147 38.487 -0.365 0.000 1.293 479 N HN 0.880 nan 8.380 nan 0.000 0.491 480 A N 3.214 125.755 122.820 -0.465 0.000 2.225 480 A HA 0.011 4.331 4.320 0.002 0.000 0.215 480 A C 1.843 179.288 177.584 -0.233 0.000 1.164 480 A CA 1.450 53.292 52.037 -0.324 0.000 0.710 480 A CB -0.135 18.819 19.000 -0.078 0.000 0.780 480 A HN 0.700 nan 8.150 nan 0.000 0.473 481 A N -0.688 121.997 122.820 -0.226 0.000 1.924 481 A HA 0.091 4.412 4.320 0.002 0.000 0.211 481 A C 2.312 179.797 177.584 -0.165 0.000 1.198 481 A CA 1.748 53.694 52.037 -0.153 0.000 0.657 481 A CB -0.794 18.137 19.000 -0.115 0.000 0.852 481 A HN 0.641 nan 8.150 nan 0.000 0.454 482 T N -3.327 111.098 114.554 -0.216 0.000 3.043 482 T HA 0.138 4.489 4.350 0.002 0.000 0.263 482 T C 0.447 175.011 174.700 -0.227 0.000 1.094 482 T CA 0.988 62.975 62.100 -0.189 0.000 1.127 482 T CB -0.241 68.524 68.868 -0.172 0.000 0.905 482 T HN 0.544 nan 8.240 nan 0.000 0.490 483 E N 1.178 121.136 120.200 -0.403 0.000 2.645 483 E HA -0.136 4.215 4.350 0.002 0.000 0.282 483 E C -0.199 176.173 176.600 -0.380 0.000 1.013 483 E CA 0.693 56.821 56.400 -0.453 0.000 0.842 483 E CB -1.520 28.116 29.700 -0.107 0.000 1.396 483 E HN 0.968 nan 8.360 nan 0.000 0.404 484 E N -1.125 118.739 120.200 -0.561 0.000 2.458 484 E HA 0.524 4.875 4.350 0.002 0.000 0.278 484 E C -0.932 175.388 176.600 -0.466 0.000 1.004 484 E CA -1.015 55.195 56.400 -0.318 0.000 0.823 484 E CB 0.881 30.540 29.700 -0.070 0.000 1.396 484 E HN 0.039 nan 8.360 nan 0.000 0.463 485 Y N -0.351 119.938 120.300 -0.019 0.000 2.301 485 Y HA 0.660 5.211 4.550 0.002 0.000 0.325 485 Y C 0.871 176.634 175.900 -0.229 0.000 1.203 485 Y CA 0.611 58.600 58.100 -0.185 0.000 1.255 485 Y CB 1.948 40.247 38.460 -0.268 0.000 1.232 485 Y HN 0.756 nan 8.280 nan 0.000 0.501 486 G N 1.077 109.770 108.800 -0.180 0.000 2.682 486 G HA2 0.163 4.124 3.960 0.002 0.000 0.303 486 G HA3 0.163 4.124 3.960 0.002 0.000 0.303 486 G C -1.871 172.967 174.900 -0.103 0.000 1.341 486 G CA -1.033 44.003 45.100 -0.107 0.000 0.784 486 G HN 0.455 nan 8.290 nan 0.000 0.497 487 N N 0.496 119.185 118.700 -0.018 0.000 2.426 487 N HA 0.191 4.932 4.740 0.002 0.000 0.275 487 N C 1.459 176.970 175.510 0.002 0.000 1.019 487 N CA -0.637 52.426 53.050 0.021 0.000 0.941 487 N CB 1.363 39.880 38.487 0.051 0.000 1.123 487 N HN 0.252 nan 8.380 nan 0.000 0.486 488 M N 3.177 122.784 119.600 0.012 0.000 2.279 488 M HA -0.099 4.382 4.480 0.002 0.000 0.264 488 M C 1.492 177.795 176.300 0.006 0.000 1.062 488 M CA 0.830 56.133 55.300 0.004 0.000 1.099 488 M CB -0.538 32.073 32.600 0.018 0.000 1.394 488 M HN 0.539 nan 8.290 nan 0.000 0.426 489 I N 0.561 121.141 120.570 0.016 0.000 2.163 489 I HA -0.221 3.950 4.170 0.002 0.000 0.240 489 I C 1.748 177.869 176.117 0.007 0.000 1.081 489 I CA 1.482 62.790 61.300 0.013 0.000 1.353 489 I CB -1.752 36.259 38.000 0.019 0.000 1.054 489 I HN 0.199 nan 8.210 nan 0.000 0.407 490 D N 0.840 121.244 120.400 0.007 0.000 2.104 490 D HA -0.176 4.465 4.640 0.002 0.000 0.194 490 D C 2.357 178.652 176.300 -0.007 0.000 0.994 490 D CA 1.282 55.283 54.000 0.003 0.000 0.830 490 D CB -0.203 40.601 40.800 0.006 0.000 0.959 490 D HN 0.254 nan 8.370 nan 0.000 0.452 491 M N -0.807 118.784 119.600 -0.015 0.000 2.374 491 M HA 0.072 4.553 4.480 0.002 0.000 0.264 491 M C 0.778 177.064 176.300 -0.023 0.000 1.067 491 M CA 1.072 56.356 55.300 -0.027 0.000 1.103 491 M CB 0.128 32.702 32.600 -0.044 0.000 1.402 491 M HN 0.171 nan 8.290 nan 0.000 0.444 492 G N 2.316 111.107 108.800 -0.015 0.000 2.600 492 G HA2 -0.171 3.790 3.960 0.002 0.000 0.251 492 G HA3 -0.171 3.790 3.960 0.002 0.000 0.251 492 G C -0.441 174.452 174.900 -0.012 0.000 1.142 492 G CA -0.590 44.504 45.100 -0.011 0.000 0.994 492 G HN 0.476 nan 8.290 nan 0.000 0.511 493 I N 0.767 121.332 120.570 -0.008 0.000 2.521 493 I HA 0.423 4.594 4.170 0.002 0.000 0.277 493 I C 0.061 176.179 176.117 0.003 0.000 1.054 493 I CA -0.670 60.626 61.300 -0.006 0.000 1.117 493 I CB 1.262 39.255 38.000 -0.012 0.000 1.217 493 I HN 0.045 nan 8.210 nan 0.000 0.469 494 L N 4.755 125.981 121.223 0.005 0.000 2.356 494 L HA 0.533 4.874 4.340 0.002 0.000 0.277 494 L C -0.799 176.077 176.870 0.010 0.000 0.996 494 L CA -0.838 54.007 54.840 0.009 0.000 0.822 494 L CB 1.887 43.951 42.059 0.009 0.000 1.256 494 L HN 0.387 nan 8.230 nan 0.000 0.413 495 D N 4.512 124.920 120.400 0.013 0.000 2.256 495 D HA 0.235 4.876 4.640 0.002 0.000 0.250 495 D C -2.297 174.011 176.300 0.014 0.000 1.093 495 D CA -1.404 52.604 54.000 0.014 0.000 0.882 495 D CB 1.271 42.081 40.800 0.016 0.000 1.185 495 D HN 0.219 nan 8.370 nan 0.000 0.437 496 P HA 0.027 nan 4.420 nan 0.000 0.269 496 P C 0.704 178.013 177.300 0.016 0.000 1.252 496 P CA -0.108 63.002 63.100 0.016 0.000 0.780 496 P CB 0.546 32.257 31.700 0.019 0.000 0.829 497 T N 2.791 117.352 114.554 0.012 0.000 2.680 497 T HA -0.245 4.106 4.350 0.002 0.000 0.268 497 T C 1.704 176.408 174.700 0.008 0.000 1.033 497 T CA 1.904 64.009 62.100 0.009 0.000 1.152 497 T CB -0.366 68.506 68.868 0.006 0.000 0.859 497 T HN 0.348 nan 8.240 nan 0.000 0.452 498 K N 0.971 121.378 120.400 0.012 0.000 2.074 498 K HA -0.122 4.198 4.320 0.002 0.000 0.209 498 K C 2.295 178.910 176.600 0.024 0.000 1.048 498 K CA 1.645 57.942 56.287 0.016 0.000 0.926 498 K CB -0.688 31.826 32.500 0.022 0.000 0.713 498 K HN 0.429 nan 8.250 nan 0.000 0.444 499 V N -2.281 117.650 119.914 0.028 0.000 2.446 499 V HA -0.104 4.017 4.120 0.002 0.000 0.244 499 V C 1.697 177.810 176.094 0.033 0.000 1.039 499 V CA 1.982 64.305 62.300 0.039 0.000 1.045 499 V CB -0.782 31.064 31.823 0.037 0.000 0.681 499 V HN 0.252 nan 8.190 nan 0.000 0.459 500 T N 0.610 115.176 114.554 0.020 0.000 2.674 500 T HA -0.137 4.214 4.350 0.002 0.000 0.265 500 T C 2.118 176.818 174.700 -0.001 0.000 1.039 500 T CA 1.981 64.089 62.100 0.014 0.000 1.150 500 T CB -0.448 68.427 68.868 0.011 0.000 0.864 500 T HN 0.412 nan 8.240 nan 0.000 0.427 501 R N 1.233 121.725 120.500 -0.013 0.000 2.073 501 R HA -0.033 4.307 4.340 0.002 0.000 0.234 501 R C 2.546 178.797 176.300 -0.083 0.000 1.134 501 R CA 1.677 57.752 56.100 -0.042 0.000 0.952 501 R CB -0.854 29.423 30.300 -0.037 0.000 0.850 501 R HN 0.333 nan 8.270 nan 0.000 0.433 502 S N 0.739 116.406 115.700 -0.055 0.000 2.356 502 S HA -0.106 4.365 4.470 0.002 0.000 0.223 502 S C 2.085 176.679 174.600 -0.011 0.000 1.032 502 S CA 1.298 59.451 58.200 -0.078 0.000 1.005 502 S CB -0.369 62.898 63.200 0.112 0.000 0.867 502 S HN 0.549 nan 8.310 nan 0.000 0.449 503 A N 2.059 124.920 122.820 0.069 0.000 1.908 503 A HA -0.058 4.263 4.320 0.002 0.000 0.218 503 A C 2.107 179.717 177.584 0.044 0.000 1.181 503 A CA 1.257 53.350 52.037 0.094 0.000 0.627 503 A CB -0.813 18.227 19.000 0.066 0.000 0.818 503 A HN 0.432 nan 8.150 nan 0.000 0.445 504 L N -0.243 120.976 121.223 -0.006 0.000 1.994 504 L HA -0.225 4.116 4.340 0.002 0.000 0.208 504 L C 2.452 179.287 176.870 -0.058 0.000 1.071 504 L CA 2.478 57.305 54.840 -0.022 0.000 0.745 504 L CB -1.325 40.717 42.059 -0.027 0.000 0.892 504 L HN 0.545 nan 8.230 nan 0.000 0.431 505 Q N -1.102 118.608 119.800 -0.151 0.000 2.002 505 Q HA -0.253 4.087 4.340 0.002 0.000 0.204 505 Q C 2.117 178.006 176.000 -0.186 0.000 0.988 505 Q CA 2.249 57.909 55.803 -0.238 0.000 0.843 505 Q CB -0.323 28.143 28.738 -0.452 0.000 0.908 505 Q HN 0.518 nan 8.270 nan 0.000 0.420 506 Y N 0.035 120.336 120.300 0.001 0.000 2.200 506 Y HA -0.176 4.374 4.550 0.002 0.000 0.290 506 Y C 2.372 178.273 175.900 0.002 0.000 1.137 506 Y CA 0.864 58.965 58.100 0.000 0.000 1.163 506 Y CB -0.952 37.508 38.460 -0.001 0.000 0.988 506 Y HN 0.151 nan 8.280 nan 0.000 0.518 507 A N 0.286 123.188 122.820 0.138 0.000 1.865 507 A HA -0.185 4.136 4.320 0.002 0.000 0.217 507 A C 2.489 180.104 177.584 0.051 0.000 1.191 507 A CA 2.422 54.507 52.037 0.080 0.000 0.623 507 A CB -1.335 17.699 19.000 0.057 0.000 0.826 507 A HN 0.402 nan 8.150 nan 0.000 0.444 508 A N -1.379 121.458 122.820 0.029 0.000 1.968 508 A HA -0.008 4.313 4.320 0.002 0.000 0.217 508 A C 2.456 180.051 177.584 0.019 0.000 1.169 508 A CA 2.011 54.057 52.037 0.016 0.000 0.638 508 A CB -0.810 18.189 19.000 -0.002 0.000 0.812 508 A HN 0.544 nan 8.150 nan 0.000 0.446 509 S N -0.579 115.136 115.700 0.025 0.000 2.355 509 S HA -0.116 4.355 4.470 0.002 0.000 0.222 509 S C 1.924 176.553 174.600 0.049 0.000 1.031 509 S CA 1.594 59.815 58.200 0.035 0.000 0.993 509 S CB -0.432 62.795 63.200 0.045 0.000 0.859 509 S HN 0.279 nan 8.310 nan 0.000 0.453 510 V N 2.191 122.146 119.914 0.068 0.000 2.343 510 V HA -0.132 3.989 4.120 0.002 0.000 0.247 510 V C 2.810 178.926 176.094 0.037 0.000 1.051 510 V CA 1.776 64.108 62.300 0.054 0.000 1.036 510 V CB -1.293 30.566 31.823 0.059 0.000 0.654 510 V HN 0.602 nan 8.190 nan 0.000 0.451 511 A N 0.500 123.341 122.820 0.035 0.000 1.877 511 A HA -0.085 4.236 4.320 0.002 0.000 0.216 511 A C 2.419 180.017 177.584 0.022 0.000 1.186 511 A CA 1.911 53.964 52.037 0.027 0.000 0.620 511 A CB -1.242 17.773 19.000 0.025 0.000 0.822 511 A HN 0.527 nan 8.150 nan 0.000 0.443 512 G N -0.559 108.254 108.800 0.021 0.000 2.443 512 G HA2 -0.062 3.899 3.960 0.002 0.000 0.219 512 G HA3 -0.062 3.899 3.960 0.002 0.000 0.219 512 G C 1.528 176.438 174.900 0.018 0.000 1.131 512 G CA 0.948 46.059 45.100 0.017 0.000 0.775 512 G HN 0.421 nan 8.290 nan 0.000 0.547 513 L N -0.449 120.787 121.223 0.021 0.000 2.023 513 L HA 0.084 4.425 4.340 0.002 0.000 0.205 513 L C 2.857 179.738 176.870 0.018 0.000 1.073 513 L CA 1.102 55.954 54.840 0.019 0.000 0.745 513 L CB -0.336 41.736 42.059 0.022 0.000 0.900 513 L HN 0.217 nan 8.230 nan 0.000 0.435 514 M N 0.644 120.256 119.600 0.019 0.000 2.149 514 M HA -0.213 4.268 4.480 0.002 0.000 0.261 514 M C 2.310 178.621 176.300 0.019 0.000 1.064 514 M CA 1.817 57.127 55.300 0.018 0.000 1.102 514 M CB -0.200 32.411 32.600 0.019 0.000 1.369 514 M HN 0.332 nan 8.290 nan 0.000 0.408 515 I N -1.766 118.815 120.570 0.019 0.000 2.530 515 I HA -0.181 3.990 4.170 0.002 0.000 0.257 515 I C 1.933 178.062 176.117 0.021 0.000 1.179 515 I CA 1.722 63.034 61.300 0.020 0.000 1.440 515 I CB -1.366 36.645 38.000 0.018 0.000 1.087 515 I HN 0.349 nan 8.210 nan 0.000 0.440 516 T N -1.671 112.895 114.554 0.020 0.000 3.148 516 T HA 0.080 4.431 4.350 0.002 0.000 0.253 516 T C 0.806 175.519 174.700 0.022 0.000 1.134 516 T CA 0.023 62.135 62.100 0.021 0.000 1.051 516 T CB -1.081 67.799 68.868 0.019 0.000 0.959 516 T HN 0.322 nan 8.240 nan 0.000 0.525 517 T N 2.911 117.477 114.554 0.019 0.000 2.765 517 T HA 0.151 4.502 4.350 0.002 0.000 0.284 517 T C 0.730 175.444 174.700 0.023 0.000 0.946 517 T CA 0.049 62.158 62.100 0.015 0.000 1.185 517 T CB 0.961 69.837 68.868 0.014 0.000 0.887 517 T HN 0.303 nan 8.240 nan 0.000 0.532 518 E N 1.031 121.246 120.200 0.025 0.000 2.431 518 E HA 0.231 4.582 4.350 0.002 0.000 0.200 518 E C 0.081 176.699 176.600 0.031 0.000 0.995 518 E CA -0.007 56.430 56.400 0.062 0.000 0.915 518 E CB 0.473 30.232 29.700 0.098 0.000 0.930 518 E HN 0.668 nan 8.360 nan 0.000 0.496 519 C N -0.196 119.045 119.300 -0.098 0.000 3.171 519 C HA 0.662 5.123 4.460 0.002 0.000 0.336 519 C C -1.632 173.246 174.990 -0.187 0.000 1.198 519 C CA -0.746 58.075 59.018 -0.327 0.000 1.319 519 C CB 0.451 27.691 27.740 -0.833 0.000 1.682 519 C HN 0.231 nan 8.230 nan 0.000 0.497 520 M N 4.102 123.628 119.600 -0.123 0.000 2.518 520 M HA 0.776 5.256 4.480 0.002 0.000 0.300 520 M C -1.218 175.118 176.300 0.060 0.000 1.175 520 M CA -0.627 54.685 55.300 0.021 0.000 0.890 520 M CB 2.271 34.996 32.600 0.209 0.000 1.710 520 M HN 0.400 nan 8.290 nan 0.000 0.453 521 V N 0.290 120.170 119.914 -0.056 0.000 2.932 521 V HA 0.848 4.969 4.120 0.002 0.000 0.307 521 V C -0.717 175.249 176.094 -0.215 0.000 1.147 521 V CA -0.497 61.753 62.300 -0.085 0.000 0.951 521 V CB 2.333 34.113 31.823 -0.071 0.000 1.031 521 V HN 0.959 nan 8.190 nan 0.000 0.426 522 T N 1.616 116.031 114.554 -0.231 0.000 2.786 522 T HA 0.385 4.736 4.350 0.002 0.000 0.316 522 T C -1.420 173.188 174.700 -0.153 0.000 1.503 522 T CA -0.470 61.466 62.100 -0.274 0.000 1.019 522 T CB 1.851 70.392 68.868 -0.544 0.000 1.415 522 T HN 0.740 nan 8.240 nan 0.000 0.496 523 D N 1.196 121.525 120.400 -0.119 0.000 2.371 523 D HA 0.421 5.062 4.640 0.002 0.000 0.242 523 D C 0.480 176.741 176.300 -0.064 0.000 1.218 523 D CA -0.133 53.826 54.000 -0.068 0.000 0.945 523 D CB 0.408 41.178 40.800 -0.052 0.000 1.137 523 D HN 0.399 nan 8.370 nan 0.000 0.464 524 L N 0.668 121.880 121.223 -0.018 0.000 2.476 524 L HA 0.539 4.880 4.340 0.002 0.000 0.264 524 L C -1.760 175.105 176.870 -0.007 0.000 1.224 524 L CA -0.372 54.471 54.840 0.005 0.000 0.821 524 L CB -0.166 41.906 42.059 0.022 0.000 1.101 524 L HN 0.425 nan 8.230 nan 0.000 0.488 525 P HA 0.000 nan 4.420 nan 0.000 0.216 525 P CA 0.000 nan 63.100 nan 0.000 0.800 525 P CB 0.000 nan 31.700 nan 0.000 0.726