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 3iwk_1_E DATA FIRST_RESID 7 DATA SEQUENCE SRQLFIDGEW RVPILNKRIP NINPSTENII GDIPAATKED VDLAVDAAKR DATA SEQUENCE AISRKNGRDW SAASGSLRAR YLRAIAAKIK EKKDELGKLE SIDCGKPLEE DATA SEQUENCE ALADLDDVVA CFEYYAGLAE ELDSKQKAPI SLPMDTFKSY ILKEPIGVVA DATA SEQUENCE LITPWNYPFL MATWKIAPAL AAGCAAILKP SELASVTCLE LGEICKEVGL DATA SEQUENCE PRGVLNIVTG LGHEAGASLA SHPDVDKISF TGSSATGSKI MTTAAQLVKP DATA SEQUENCE VSLELGGKSP IVVFEDVDLD KVAEWTVFGC FFTNGQICSA TSRLIVHESI DATA SEQUENCE AVEFVDKLVK WAENIKISDP LEEGCRLGPI VSEAQYKKVL NCISSAKSEG DATA SEQUENCE ATILTGGRRP EHLKKGYFVE PTIITDVTTS MQIWREEVFG PVLAVKTFST DATA SEQUENCE EEEAINLAND THYGLGSAVM SNDLERCERL SKALQAGIVW INCAQPSFIQ DATA SEQUENCE APWGGIKRSG FGRELGEWGL ENYLSVKQVT RYTSDEPWGW YQPPSK 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 7 S HA 0.000 nan 4.470 nan 0.000 0.327 7 S C 0.000 174.188 174.600 -0.687 0.000 1.055 7 S CA 0.000 57.667 58.200 -0.888 0.000 1.107 7 S CB 0.000 63.001 63.200 -0.331 0.000 0.593 8 R N 0.292 120.354 120.500 -0.729 0.000 2.592 8 R HA 0.347 4.689 4.340 0.003 0.000 0.439 8 R C -0.243 175.924 176.300 -0.223 0.000 0.995 8 R CA -0.102 55.790 56.100 -0.347 0.000 1.141 8 R CB 0.643 30.800 30.300 -0.238 0.000 1.495 8 R HN 0.092 nan 8.270 nan 0.000 0.579 9 Q N 0.282 119.945 119.800 -0.228 0.000 2.852 9 Q HA 0.509 4.851 4.340 0.003 0.000 0.262 9 Q C -0.747 175.471 176.000 0.362 0.000 1.051 9 Q CA -0.651 55.211 55.803 0.098 0.000 0.894 9 Q CB 1.113 29.952 28.738 0.168 0.000 1.381 9 Q HN 0.075 nan 8.270 nan 0.000 0.501 10 L N 1.270 122.691 121.223 0.330 0.000 2.349 10 L HA 0.344 4.686 4.340 0.003 0.000 0.275 10 L C -0.326 176.764 176.870 0.366 0.000 1.115 10 L CA -0.354 54.666 54.840 0.301 0.000 0.820 10 L CB 0.270 42.416 42.059 0.145 0.000 1.135 10 L HN 0.450 nan 8.230 nan 0.000 0.445 11 F N 5.306 125.291 119.950 0.058 0.000 2.335 11 F HA 0.541 5.069 4.527 0.003 0.000 0.365 11 F C -0.298 175.385 175.800 -0.195 0.000 1.122 11 F CA -0.478 57.361 58.000 -0.268 0.000 1.151 11 F CB 0.230 38.938 39.000 -0.487 0.000 1.282 11 F HN 0.184 nan 8.300 nan 0.000 0.513 12 I N 5.229 125.461 120.570 -0.564 0.000 2.499 12 I HA 0.204 4.376 4.170 0.003 0.000 0.288 12 I C -0.406 175.384 176.117 -0.545 0.000 1.048 12 I CA -0.905 60.126 61.300 -0.448 0.000 1.062 12 I CB 1.770 39.646 38.000 -0.207 0.000 1.238 12 I HN 0.355 nan 8.210 nan 0.000 0.426 13 D N 5.063 125.166 120.400 -0.495 0.000 2.708 13 D HA -0.187 4.455 4.640 0.003 0.000 0.236 13 D C 1.071 177.088 176.300 -0.472 0.000 1.146 13 D CA 1.755 55.519 54.000 -0.395 0.000 0.662 13 D CB -0.701 39.952 40.800 -0.246 0.000 1.059 13 D HN 1.144 nan 8.370 nan 0.000 0.428 14 G N -0.673 107.657 108.800 -0.784 0.000 2.148 14 G HA2 -0.310 3.652 3.960 0.003 0.000 0.254 14 G HA3 -0.310 3.652 3.960 0.003 0.000 0.254 14 G C 0.158 174.730 174.900 -0.546 0.000 0.981 14 G CA 0.698 45.409 45.100 -0.648 0.000 0.670 14 G HN 0.536 nan 8.290 nan 0.000 0.528 15 E N -1.407 118.378 120.200 -0.692 0.000 2.340 15 E HA 0.588 4.940 4.350 0.003 0.000 0.273 15 E C -0.632 175.774 176.600 -0.324 0.000 0.891 15 E CA -0.874 55.313 56.400 -0.356 0.000 0.757 15 E CB 0.751 30.341 29.700 -0.182 0.000 1.231 15 E HN 0.289 nan 8.360 nan 0.000 0.439 16 W N 2.513 123.863 121.300 0.083 0.000 2.356 16 W HA 0.349 5.011 4.660 0.003 0.000 0.311 16 W C 0.425 176.959 176.519 0.025 0.000 1.328 16 W CA -0.292 57.111 57.345 0.097 0.000 1.251 16 W CB 0.643 30.161 29.460 0.098 0.000 1.280 16 W HN 0.056 nan 8.180 nan 0.000 0.524 17 R N 2.198 122.853 120.500 0.258 0.000 2.513 17 R HA 0.408 4.750 4.340 0.003 0.000 0.301 17 R C -0.834 175.541 176.300 0.125 0.000 0.968 17 R CA -0.881 55.298 56.100 0.132 0.000 0.872 17 R CB 1.792 32.118 30.300 0.042 0.000 1.177 17 R HN 0.212 nan 8.270 nan 0.000 0.444 18 V N 4.920 124.888 119.914 0.089 0.000 2.655 18 V HA 0.110 4.232 4.120 0.003 0.000 0.300 18 V C -1.884 174.237 176.094 0.046 0.000 1.044 18 V CA -1.312 61.025 62.300 0.061 0.000 1.095 18 V CB 0.547 32.394 31.823 0.039 0.000 0.952 18 V HN 0.648 nan 8.190 nan 0.000 0.485 19 P HA 0.052 nan 4.420 nan 0.000 0.262 19 P C 1.064 178.377 177.300 0.020 0.000 1.182 19 P CA -0.050 63.067 63.100 0.028 0.000 0.761 19 P CB 0.337 32.051 31.700 0.024 0.000 0.795 20 I N 2.523 123.103 120.570 0.017 0.000 2.248 20 I HA -0.216 3.956 4.170 0.003 0.000 0.248 20 I C 1.669 177.792 176.117 0.011 0.000 1.107 20 I CA 1.858 63.166 61.300 0.013 0.000 1.373 20 I CB -1.070 36.937 38.000 0.011 0.000 1.055 20 I HN 0.379 nan 8.210 nan 0.000 0.418 21 L N 0.193 121.422 121.223 0.011 0.000 2.567 21 L HA 0.132 4.474 4.340 0.003 0.000 0.225 21 L C 1.006 177.881 176.870 0.008 0.000 1.119 21 L CA 0.316 55.161 54.840 0.009 0.000 0.871 21 L CB -0.767 41.297 42.059 0.008 0.000 1.036 21 L HN 0.274 nan 8.230 nan 0.000 0.459 22 N N 1.015 119.721 118.700 0.010 0.000 2.721 22 N HA -0.265 4.477 4.740 0.003 0.000 0.249 22 N C 0.259 175.772 175.510 0.006 0.000 1.072 22 N CA 0.598 53.653 53.050 0.009 0.000 0.710 22 N CB -0.599 37.892 38.487 0.007 0.000 0.993 22 N HN 0.393 nan 8.380 nan 0.000 0.547 23 K N 0.812 121.216 120.400 0.006 0.000 2.205 23 K HA 0.245 4.567 4.320 0.003 0.000 0.279 23 K C -0.096 176.505 176.600 0.003 0.000 1.027 23 K CA -0.324 55.966 56.287 0.004 0.000 0.932 23 K CB 0.579 33.081 32.500 0.003 0.000 1.032 23 K HN 0.062 nan 8.250 nan 0.000 0.466 24 R N 3.732 124.233 120.500 0.000 0.000 2.807 24 R HA 0.479 4.820 4.340 0.003 0.000 0.276 24 R C -0.487 175.812 176.300 -0.003 0.000 0.979 24 R CA -0.843 55.256 56.100 -0.002 0.000 0.928 24 R CB 0.883 31.178 30.300 -0.008 0.000 1.191 24 R HN 0.584 nan 8.270 nan 0.000 0.471 25 I N 3.695 124.262 120.570 -0.004 0.000 2.378 25 I HA 0.303 4.475 4.170 0.003 0.000 0.291 25 I C -1.952 174.159 176.117 -0.010 0.000 0.992 25 I CA -2.220 59.078 61.300 -0.004 0.000 1.154 25 I CB 2.139 40.138 38.000 -0.001 0.000 1.315 25 I HN 0.212 nan 8.210 nan 0.000 0.448 26 P HA 0.053 nan 4.420 nan 0.000 0.269 26 P C -1.149 176.139 177.300 -0.021 0.000 1.209 26 P CA -0.243 62.847 63.100 -0.016 0.000 0.776 26 P CB 0.747 32.439 31.700 -0.013 0.000 0.876 27 N N 2.042 120.727 118.700 -0.025 0.000 2.399 27 N HA 0.312 5.054 4.740 0.003 0.000 0.280 27 N C -0.893 174.598 175.510 -0.032 0.000 1.008 27 N CA -0.570 52.461 53.050 -0.031 0.000 0.894 27 N CB 0.421 38.888 38.487 -0.034 0.000 1.273 27 N HN 0.153 nan 8.380 nan 0.000 0.486 28 I N 2.137 122.689 120.570 -0.030 0.000 2.385 28 I HA 0.238 4.410 4.170 0.003 0.000 0.294 28 I C 0.536 176.627 176.117 -0.043 0.000 0.988 28 I CA -0.634 60.652 61.300 -0.022 0.000 1.265 28 I CB 1.027 39.043 38.000 0.027 0.000 1.388 28 I HN 0.613 nan 8.210 nan 0.000 0.480 29 N N 8.196 126.854 118.700 -0.071 0.000 2.420 29 N HA 0.136 4.878 4.740 0.003 0.000 0.262 29 N C -1.475 173.929 175.510 -0.176 0.000 1.144 29 N CA -1.192 51.796 53.050 -0.103 0.000 0.952 29 N CB 1.220 39.647 38.487 -0.099 0.000 1.081 29 N HN 0.344 nan 8.380 nan 0.000 0.480 30 P HA -0.167 nan 4.420 nan 0.000 0.216 30 P C 0.716 177.684 177.300 -0.553 0.000 1.150 30 P CA 1.268 64.203 63.100 -0.274 0.000 0.837 30 P CB 0.116 31.712 31.700 -0.175 0.000 0.786 31 S N -1.465 114.018 115.700 -0.362 0.000 2.527 31 S HA -0.024 4.448 4.470 0.003 0.000 0.222 31 S C 1.789 176.304 174.600 -0.142 0.000 0.985 31 S CA 1.261 59.321 58.200 -0.234 0.000 0.921 31 S CB -1.329 61.883 63.200 0.020 0.000 0.772 31 S HN 0.354 nan 8.310 nan 0.000 0.529 32 T N -1.536 112.888 114.554 -0.217 0.000 2.978 32 T HA 0.308 4.660 4.350 0.003 0.000 0.248 32 T C 0.536 175.094 174.700 -0.237 0.000 1.018 32 T CA 0.531 62.529 62.100 -0.170 0.000 1.026 32 T CB -0.282 68.521 68.868 -0.109 0.000 1.032 32 T HN 0.355 nan 8.240 nan 0.000 0.485 33 E N 0.577 120.568 120.200 -0.348 0.000 3.927 33 E HA -0.127 4.225 4.350 0.003 0.000 0.330 33 E C -0.886 175.639 176.600 -0.126 0.000 0.751 33 E CA 0.375 56.591 56.400 -0.307 0.000 1.254 33 E CB -1.441 28.082 29.700 -0.294 0.000 1.643 33 E HN 0.543 nan 8.360 nan 0.000 0.430 34 N N 0.641 119.275 118.700 -0.110 0.000 2.487 34 N HA 0.359 5.101 4.740 0.003 0.000 0.292 34 N C 0.098 175.577 175.510 -0.052 0.000 1.108 34 N CA -0.339 52.671 53.050 -0.066 0.000 0.956 34 N CB 0.783 39.233 38.487 -0.061 0.000 1.176 34 N HN 0.047 nan 8.380 nan 0.000 0.484 35 I N 2.363 122.911 120.570 -0.036 0.000 2.581 35 I HA -0.023 4.149 4.170 0.003 0.000 0.285 35 I C 1.594 177.690 176.117 -0.035 0.000 1.129 35 I CA 0.166 61.447 61.300 -0.031 0.000 1.397 35 I CB 0.181 38.167 38.000 -0.024 0.000 1.399 35 I HN 0.558 nan 8.210 nan 0.000 0.537 36 I N 2.769 123.317 120.570 -0.038 0.000 3.956 36 I HA 0.590 4.762 4.170 0.003 0.000 0.333 36 I C 0.824 176.919 176.117 -0.037 0.000 1.302 36 I CA -0.056 61.221 61.300 -0.038 0.000 1.122 36 I CB 0.143 38.118 38.000 -0.042 0.000 1.013 36 I HN 0.625 nan 8.210 nan 0.000 0.405 37 G N 1.191 109.970 108.800 -0.035 0.000 2.336 37 G HA2 0.374 4.336 3.960 0.003 0.000 0.286 37 G HA3 0.374 4.336 3.960 0.003 0.000 0.286 37 G C -2.323 172.558 174.900 -0.033 0.000 1.269 37 G CA -0.036 45.042 45.100 -0.036 0.000 0.873 37 G HN 0.402 nan 8.290 nan 0.000 0.494 38 D N -1.653 118.726 120.400 -0.035 0.000 2.626 38 D HA 0.722 5.364 4.640 0.003 0.000 0.278 38 D C -1.042 175.240 176.300 -0.030 0.000 1.211 38 D CA -0.663 53.320 54.000 -0.029 0.000 0.903 38 D CB 1.505 42.291 40.800 -0.024 0.000 1.408 38 D HN 0.512 nan 8.370 nan 0.000 0.454 39 I N 0.382 120.940 120.570 -0.020 0.000 2.533 39 I HA 0.355 4.527 4.170 0.003 0.000 0.290 39 I C -2.546 173.569 176.117 -0.003 0.000 1.056 39 I CA -2.439 58.853 61.300 -0.013 0.000 1.057 39 I CB 1.896 39.892 38.000 -0.006 0.000 1.240 39 I HN 0.286 nan 8.210 nan 0.000 0.423 40 P HA 0.126 nan 4.420 nan 0.000 0.268 40 P C -0.721 176.591 177.300 0.019 0.000 1.204 40 P CA -0.292 62.818 63.100 0.016 0.000 0.768 40 P CB 0.757 32.479 31.700 0.037 0.000 0.842 41 A N 3.064 125.891 122.820 0.012 0.000 2.273 41 A HA 0.605 4.927 4.320 0.003 0.000 0.320 41 A C 0.406 177.993 177.584 0.005 0.000 1.358 41 A CA -0.641 51.398 52.037 0.004 0.000 0.910 41 A CB 0.092 19.089 19.000 -0.005 0.000 1.159 41 A HN 0.597 nan 8.150 nan 0.000 0.526 42 A N 2.653 125.478 122.820 0.008 0.000 2.351 42 A HA 0.714 5.036 4.320 0.003 0.000 0.257 42 A C 0.574 178.155 177.584 -0.006 0.000 1.087 42 A CA 0.069 52.112 52.037 0.009 0.000 0.798 42 A CB 0.316 19.328 19.000 0.020 0.000 1.033 42 A HN 0.717 nan 8.150 nan 0.000 0.488 43 T N 0.084 114.638 114.554 0.001 0.000 2.907 43 T HA 0.343 4.695 4.350 0.003 0.000 0.290 43 T C 1.244 175.951 174.700 0.010 0.000 1.066 43 T CA -0.254 61.845 62.100 -0.003 0.000 1.012 43 T CB 1.703 70.571 68.868 0.000 0.000 1.184 43 T HN 0.766 nan 8.240 nan 0.000 0.522 44 K N 1.223 121.631 120.400 0.013 0.000 2.090 44 K HA -0.246 4.076 4.320 0.003 0.000 0.218 44 K C 1.762 178.384 176.600 0.038 0.000 1.055 44 K CA 2.203 58.507 56.287 0.028 0.000 0.941 44 K CB -0.168 32.344 32.500 0.020 0.000 0.722 44 K HN 0.577 nan 8.250 nan 0.000 0.458 45 E N 0.268 120.484 120.200 0.026 0.000 2.077 45 E HA -0.187 4.165 4.350 0.003 0.000 0.193 45 E C 1.807 178.421 176.600 0.024 0.000 0.989 45 E CA 1.484 57.899 56.400 0.025 0.000 0.800 45 E CB -0.280 29.429 29.700 0.016 0.000 0.746 45 E HN 0.550 nan 8.360 nan 0.000 0.452 46 D N 0.776 121.187 120.400 0.019 0.000 2.117 46 D HA -0.096 4.546 4.640 0.003 0.000 0.198 46 D C 2.232 178.537 176.300 0.008 0.000 0.982 46 D CA 0.699 54.706 54.000 0.012 0.000 0.828 46 D CB -0.156 40.653 40.800 0.014 0.000 0.967 46 D HN 0.009 nan 8.370 nan 0.000 0.464 47 V N 1.998 121.925 119.914 0.021 0.000 2.332 47 V HA -0.242 3.880 4.120 0.003 0.000 0.248 47 V C 1.855 177.958 176.094 0.016 0.000 1.055 47 V CA 1.816 64.129 62.300 0.022 0.000 1.038 47 V CB -0.482 31.372 31.823 0.052 0.000 0.651 47 V HN 0.023 nan 8.190 nan 0.000 0.450 48 D N 0.041 120.486 120.400 0.074 0.000 2.149 48 D HA -0.142 4.500 4.640 0.003 0.000 0.198 48 D C 2.088 178.397 176.300 0.015 0.000 0.990 48 D CA 1.187 55.254 54.000 0.112 0.000 0.839 48 D CB -0.301 40.581 40.800 0.137 0.000 0.948 48 D HN 0.354 nan 8.370 nan 0.000 0.460 49 L N 0.312 121.531 121.223 -0.006 0.000 2.093 49 L HA -0.114 4.228 4.340 0.003 0.000 0.208 49 L C 2.459 179.282 176.870 -0.077 0.000 1.085 49 L CA 1.066 55.884 54.840 -0.037 0.000 0.755 49 L CB -0.411 41.628 42.059 -0.034 0.000 0.904 49 L HN -0.003 nan 8.230 nan 0.000 0.435 50 A N -0.254 122.515 122.820 -0.085 0.000 1.873 50 A HA -0.133 4.189 4.320 0.003 0.000 0.215 50 A C 2.323 179.822 177.584 -0.142 0.000 1.186 50 A CA 1.706 53.675 52.037 -0.113 0.000 0.616 50 A CB -0.779 18.170 19.000 -0.086 0.000 0.823 50 A HN 0.179 nan 8.150 nan 0.000 0.442 51 V N 0.721 120.519 119.914 -0.193 0.000 2.343 51 V HA -0.242 3.880 4.120 0.003 0.000 0.247 51 V C 2.176 178.156 176.094 -0.190 0.000 1.051 51 V CA 2.258 64.388 62.300 -0.283 0.000 1.036 51 V CB -0.941 30.457 31.823 -0.709 0.000 0.654 51 V HN 0.481 nan 8.190 nan 0.000 0.451 52 D N 0.769 121.088 120.400 -0.135 0.000 2.116 52 D HA -0.179 4.463 4.640 0.003 0.000 0.193 52 D C 2.220 178.475 176.300 -0.076 0.000 0.998 52 D CA 1.855 55.814 54.000 -0.069 0.000 0.836 52 D CB -0.458 40.320 40.800 -0.035 0.000 0.951 52 D HN 0.447 nan 8.370 nan 0.000 0.449 53 A N 0.809 123.569 122.820 -0.100 0.000 1.902 53 A HA -0.020 4.302 4.320 0.003 0.000 0.217 53 A C 2.302 179.817 177.584 -0.115 0.000 1.181 53 A CA 2.253 54.220 52.037 -0.116 0.000 0.623 53 A CB -0.754 18.152 19.000 -0.157 0.000 0.818 53 A HN 0.241 nan 8.150 nan 0.000 0.443 54 A N -0.304 122.446 122.820 -0.117 0.000 1.902 54 A HA -0.142 4.180 4.320 0.003 0.000 0.217 54 A C 2.115 179.663 177.584 -0.061 0.000 1.181 54 A CA 1.754 53.731 52.037 -0.100 0.000 0.623 54 A CB -0.363 18.578 19.000 -0.097 0.000 0.818 54 A HN 0.351 nan 8.150 nan 0.000 0.443 55 K N -0.149 120.218 120.400 -0.055 0.000 2.063 55 K HA -0.112 4.210 4.320 0.003 0.000 0.208 55 K C 2.125 178.716 176.600 -0.015 0.000 1.048 55 K CA 1.464 57.737 56.287 -0.024 0.000 0.928 55 K CB -0.384 32.105 32.500 -0.018 0.000 0.713 55 K HN 0.492 nan 8.250 nan 0.000 0.442 56 R N 0.265 120.748 120.500 -0.029 0.000 2.096 56 R HA -0.049 4.293 4.340 0.003 0.000 0.235 56 R C 2.293 178.583 176.300 -0.017 0.000 1.127 56 R CA 1.098 57.184 56.100 -0.023 0.000 0.968 56 R CB -0.326 29.951 30.300 -0.037 0.000 0.861 56 R HN 0.172 nan 8.270 nan 0.000 0.440 57 A N 1.528 124.328 122.820 -0.034 0.000 2.019 57 A HA -0.116 4.206 4.320 0.003 0.000 0.219 57 A C 1.949 179.561 177.584 0.046 0.000 1.164 57 A CA 1.297 53.319 52.037 -0.025 0.000 0.644 57 A CB -0.425 18.521 19.000 -0.090 0.000 0.805 57 A HN 0.493 nan 8.150 nan 0.000 0.449 58 I N -4.071 116.529 120.570 0.050 0.000 4.025 58 I HA 0.295 4.467 4.170 0.003 0.000 0.336 58 I C 0.585 176.736 176.117 0.058 0.000 1.390 58 I CA -0.203 61.148 61.300 0.086 0.000 1.099 58 I CB 0.266 38.328 38.000 0.102 0.000 1.049 58 I HN 0.064 nan 8.210 nan 0.000 0.394 59 S N 1.810 117.533 115.700 0.038 0.000 2.531 59 S HA 0.178 4.650 4.470 0.003 0.000 0.279 59 S C 1.373 175.992 174.600 0.031 0.000 1.305 59 S CA -0.226 57.991 58.200 0.029 0.000 1.058 59 S CB 0.824 64.034 63.200 0.018 0.000 0.899 59 S HN 0.549 nan 8.310 nan 0.000 0.493 60 R N 3.507 124.024 120.500 0.029 0.000 2.139 60 R HA -0.146 4.196 4.340 0.003 0.000 0.243 60 R C 2.230 178.544 176.300 0.022 0.000 1.145 60 R CA 1.901 58.016 56.100 0.026 0.000 0.976 60 R CB -0.239 30.075 30.300 0.022 0.000 0.866 60 R HN 0.786 nan 8.270 nan 0.000 0.449 61 K N 0.793 121.205 120.400 0.019 0.000 2.211 61 K HA -0.174 4.148 4.320 0.003 0.000 0.204 61 K C 0.030 176.640 176.600 0.017 0.000 1.047 61 K CA 1.152 57.448 56.287 0.016 0.000 0.935 61 K CB -0.210 32.298 32.500 0.012 0.000 0.728 61 K HN 0.175 nan 8.250 nan 0.000 0.452 62 N N -0.419 118.293 118.700 0.021 0.000 2.452 62 N HA 0.018 4.760 4.740 0.003 0.000 0.266 62 N C 0.531 176.059 175.510 0.030 0.000 1.175 62 N CA -0.132 52.932 53.050 0.024 0.000 0.945 62 N CB 1.111 39.616 38.487 0.029 0.000 1.063 62 N HN 0.242 nan 8.380 nan 0.000 0.472 63 G N 2.508 111.324 108.800 0.027 0.000 2.920 63 G HA2 -0.099 3.862 3.960 0.003 0.000 0.208 63 G HA3 -0.099 3.862 3.960 0.003 0.000 0.208 63 G C 0.939 175.863 174.900 0.040 0.000 1.159 63 G CA 0.078 45.196 45.100 0.029 0.000 0.784 63 G HN 0.605 nan 8.290 nan 0.000 0.535 64 R N 1.007 121.537 120.500 0.050 0.000 2.668 64 R HA 0.120 4.462 4.340 0.003 0.000 0.435 64 R C -0.662 175.699 176.300 0.101 0.000 1.059 64 R CA -0.400 55.744 56.100 0.073 0.000 1.073 64 R CB 0.099 30.438 30.300 0.065 0.000 1.401 64 R HN 0.297 nan 8.270 nan 0.000 0.590 65 D N -0.566 119.887 120.400 0.088 0.000 2.390 65 D HA -0.145 4.497 4.640 0.003 0.000 0.249 65 D C 0.673 177.072 176.300 0.164 0.000 1.144 65 D CA -0.424 53.645 54.000 0.115 0.000 0.880 65 D CB 0.675 41.521 40.800 0.077 0.000 1.182 65 D HN 0.270 nan 8.370 nan 0.000 0.451 66 W N 2.791 124.079 121.300 -0.019 0.000 2.381 66 W HA -0.234 4.428 4.660 0.003 0.000 0.301 66 W C 1.718 178.240 176.519 0.004 0.000 1.205 66 W CA 1.723 59.057 57.345 -0.018 0.000 1.285 66 W CB 0.062 29.498 29.460 -0.041 0.000 1.133 66 W HN 0.578 nan 8.180 nan 0.000 0.521 67 S N 0.244 115.999 115.700 0.093 0.000 2.453 67 S HA -0.003 4.469 4.470 0.003 0.000 0.231 67 S C 1.730 176.300 174.600 -0.049 0.000 1.005 67 S CA 0.975 59.175 58.200 0.000 0.000 0.949 67 S CB -0.363 62.879 63.200 0.070 0.000 0.774 67 S HN 0.186 nan 8.310 nan 0.000 0.510 68 A N 1.083 123.884 122.820 -0.032 0.000 2.169 68 A HA 0.753 5.075 4.320 0.003 0.000 0.210 68 A C 1.229 178.774 177.584 -0.065 0.000 1.168 68 A CA 0.263 52.279 52.037 -0.034 0.000 0.813 68 A CB -0.682 18.316 19.000 -0.003 0.000 0.861 68 A HN 0.758 nan 8.150 nan 0.000 0.481 69 A N 1.136 123.893 122.820 -0.104 0.000 2.520 69 A HA 0.438 4.760 4.320 0.003 0.000 0.235 69 A C 0.985 178.472 177.584 -0.161 0.000 1.065 69 A CA 0.380 52.340 52.037 -0.128 0.000 0.764 69 A CB -0.296 18.597 19.000 -0.179 0.000 1.002 69 A HN 1.238 nan 8.150 nan 0.000 0.502 70 S N 1.794 117.427 115.700 -0.111 0.000 2.558 70 S HA 0.278 4.750 4.470 0.003 0.000 0.288 70 S C 1.419 175.938 174.600 -0.135 0.000 1.318 70 S CA -0.143 57.998 58.200 -0.099 0.000 1.056 70 S CB 0.779 63.942 63.200 -0.062 0.000 0.853 70 S HN 1.519 nan 8.310 nan 0.000 0.505 71 G N 1.992 110.724 108.800 -0.113 0.000 2.469 71 G HA2 -0.283 3.679 3.960 0.003 0.000 0.220 71 G HA3 -0.283 3.679 3.960 0.003 0.000 0.220 71 G C 1.686 176.538 174.900 -0.080 0.000 1.136 71 G CA 1.124 46.160 45.100 -0.106 0.000 0.759 71 G HN 1.172 nan 8.290 nan 0.000 0.562 72 S N 0.034 115.698 115.700 -0.060 0.000 2.428 72 S HA 0.023 4.495 4.470 0.003 0.000 0.230 72 S C 2.239 176.819 174.600 -0.033 0.000 1.014 72 S CA 1.152 59.329 58.200 -0.039 0.000 0.957 72 S CB -0.202 62.977 63.200 -0.035 0.000 0.784 72 S HN 0.205 nan 8.310 nan 0.000 0.499 73 L N 2.086 123.281 121.223 -0.046 0.000 2.027 73 L HA 0.121 4.463 4.340 0.003 0.000 0.206 73 L C 2.592 179.500 176.870 0.064 0.000 1.074 73 L CA 1.588 56.421 54.840 -0.011 0.000 0.745 73 L CB -0.818 41.241 42.059 0.000 0.000 0.898 73 L HN 0.208 nan 8.230 nan 0.000 0.433 74 R N -0.408 120.040 120.500 -0.087 0.000 2.081 74 R HA -0.112 4.230 4.340 0.003 0.000 0.235 74 R C 2.247 178.668 176.300 0.201 0.000 1.131 74 R CA 1.329 57.382 56.100 -0.078 0.000 0.960 74 R CB -0.788 29.249 30.300 -0.437 0.000 0.856 74 R HN 0.516 nan 8.270 nan 0.000 0.436 75 A N 1.194 124.070 122.820 0.093 0.000 1.948 75 A HA -0.233 4.089 4.320 0.003 0.000 0.220 75 A C 2.150 179.800 177.584 0.110 0.000 1.177 75 A CA 1.630 53.734 52.037 0.112 0.000 0.636 75 A CB -0.408 18.621 19.000 0.048 0.000 0.815 75 A HN 0.137 nan 8.150 nan 0.000 0.449 76 R N -1.741 118.791 120.500 0.053 0.000 2.096 76 R HA -0.109 4.233 4.340 0.003 0.000 0.235 76 R C 1.759 178.024 176.300 -0.058 0.000 1.127 76 R CA 1.640 57.714 56.100 -0.043 0.000 0.968 76 R CB -0.565 29.646 30.300 -0.148 0.000 0.861 76 R HN 0.655 nan 8.270 nan 0.000 0.440 77 Y N -0.207 120.181 120.300 0.146 0.000 2.220 77 Y HA -0.070 4.482 4.550 0.003 0.000 0.291 77 Y C 1.897 177.865 175.900 0.114 0.000 1.129 77 Y CA 1.154 59.350 58.100 0.160 0.000 1.161 77 Y CB -0.198 38.445 38.460 0.305 0.000 0.997 77 Y HN -0.018 nan 8.280 nan 0.000 0.522 78 L N -0.467 120.952 121.223 0.327 0.000 2.017 78 L HA -0.244 4.098 4.340 0.003 0.000 0.208 78 L C 2.458 179.410 176.870 0.137 0.000 1.073 78 L CA 1.454 56.456 54.840 0.270 0.000 0.745 78 L CB -0.534 41.760 42.059 0.391 0.000 0.894 78 L HN 0.136 nan 8.230 nan 0.000 0.432 79 R N -0.110 120.463 120.500 0.122 0.000 2.120 79 R HA -0.116 4.226 4.340 0.003 0.000 0.234 79 R C 2.340 178.652 176.300 0.020 0.000 1.123 79 R CA 1.251 57.393 56.100 0.070 0.000 0.975 79 R CB -0.376 29.954 30.300 0.051 0.000 0.866 79 R HN 0.376 nan 8.270 nan 0.000 0.446 80 A N 0.966 123.791 122.820 0.007 0.000 1.930 80 A HA -0.050 4.272 4.320 0.003 0.000 0.215 80 A C 2.087 179.647 177.584 -0.040 0.000 1.176 80 A CA 0.761 52.791 52.037 -0.012 0.000 0.632 80 A CB -0.228 18.765 19.000 -0.012 0.000 0.819 80 A HN 0.122 nan 8.150 nan 0.000 0.445 81 I N -0.057 120.455 120.570 -0.097 0.000 2.179 81 I HA -0.274 3.898 4.170 0.003 0.000 0.242 81 I C 2.987 178.934 176.117 -0.284 0.000 1.088 81 I CA 1.093 62.241 61.300 -0.254 0.000 1.357 81 I CB -0.315 37.373 38.000 -0.521 0.000 1.051 81 I HN 0.337 nan 8.210 nan 0.000 0.409 82 A N 0.736 123.403 122.820 -0.255 0.000 1.883 82 A HA -0.236 4.086 4.320 0.003 0.000 0.217 82 A C 2.532 180.110 177.584 -0.010 0.000 1.186 82 A CA 2.123 54.118 52.037 -0.071 0.000 0.624 82 A CB -0.998 18.057 19.000 0.092 0.000 0.822 82 A HN 0.449 nan 8.150 nan 0.000 0.444 83 A N -0.697 122.119 122.820 -0.007 0.000 1.933 83 A HA -0.156 4.166 4.320 0.003 0.000 0.218 83 A C 2.098 179.687 177.584 0.008 0.000 1.175 83 A CA 2.276 54.318 52.037 0.009 0.000 0.628 83 A CB -0.393 18.611 19.000 0.007 0.000 0.814 83 A HN 0.462 nan 8.150 nan 0.000 0.444 84 K N -0.123 120.273 120.400 -0.006 0.000 2.025 84 K HA 0.015 4.337 4.320 0.003 0.000 0.207 84 K C 1.670 178.288 176.600 0.030 0.000 1.049 84 K CA 1.399 57.690 56.287 0.007 0.000 0.933 84 K CB -0.429 32.069 32.500 -0.004 0.000 0.714 84 K HN 0.517 nan 8.250 nan 0.000 0.438 85 I N 0.817 121.407 120.570 0.032 0.000 2.163 85 I HA -0.363 3.809 4.170 0.003 0.000 0.243 85 I C 2.386 178.542 176.117 0.065 0.000 1.085 85 I CA 1.409 62.758 61.300 0.081 0.000 1.347 85 I CB -0.278 37.767 38.000 0.075 0.000 1.044 85 I HN 0.203 nan 8.210 nan 0.000 0.408 86 K N 1.000 121.428 120.400 0.045 0.000 2.074 86 K HA -0.265 4.057 4.320 0.003 0.000 0.209 86 K C 1.988 178.614 176.600 0.044 0.000 1.048 86 K CA 1.929 58.243 56.287 0.045 0.000 0.926 86 K CB -0.074 32.451 32.500 0.041 0.000 0.713 86 K HN 0.356 nan 8.250 nan 0.000 0.444 87 E N 0.007 120.231 120.200 0.039 0.000 2.110 87 E HA -0.167 4.185 4.350 0.003 0.000 0.193 87 E C 1.122 177.747 176.600 0.042 0.000 0.988 87 E CA 1.239 57.660 56.400 0.036 0.000 0.804 87 E CB 0.140 29.858 29.700 0.030 0.000 0.745 87 E HN 0.244 nan 8.360 nan 0.000 0.458 88 K N 0.607 121.039 120.400 0.053 0.000 2.437 88 K HA 0.076 4.397 4.320 0.003 0.000 0.205 88 K C 1.401 178.045 176.600 0.074 0.000 1.026 88 K CA -0.162 56.162 56.287 0.061 0.000 1.153 88 K CB 0.382 32.922 32.500 0.067 0.000 0.863 88 K HN -0.034 nan 8.250 nan 0.000 0.502 89 K N 1.769 122.211 120.400 0.069 0.000 2.052 89 K HA -0.271 4.051 4.320 0.003 0.000 0.215 89 K C 0.722 177.364 176.600 0.070 0.000 1.053 89 K CA 2.275 58.605 56.287 0.072 0.000 0.934 89 K CB 0.061 32.596 32.500 0.057 0.000 0.717 89 K HN 0.045 nan 8.250 nan 0.000 0.450 90 D N 0.208 120.641 120.400 0.055 0.000 2.097 90 D HA -0.149 4.493 4.640 0.003 0.000 0.195 90 D C 1.942 178.270 176.300 0.048 0.000 0.989 90 D CA 1.246 55.275 54.000 0.048 0.000 0.827 90 D CB -0.253 40.570 40.800 0.038 0.000 0.966 90 D HN 0.317 nan 8.370 nan 0.000 0.456 91 E N 0.280 120.508 120.200 0.047 0.000 2.106 91 E HA -0.048 4.304 4.350 0.003 0.000 0.192 91 E C 2.108 178.740 176.600 0.053 0.000 0.984 91 E CA 0.590 57.014 56.400 0.040 0.000 0.806 91 E CB -0.255 29.464 29.700 0.032 0.000 0.750 91 E HN 0.250 nan 8.360 nan 0.000 0.458 92 L N -0.849 120.423 121.223 0.082 0.000 2.156 92 L HA 0.012 4.354 4.340 0.003 0.000 0.208 92 L C 2.377 179.322 176.870 0.124 0.000 1.095 92 L CA 0.995 55.908 54.840 0.121 0.000 0.770 92 L CB -0.613 41.572 42.059 0.210 0.000 0.914 92 L HN 0.277 nan 8.230 nan 0.000 0.439 93 G N 0.050 108.911 108.800 0.102 0.000 2.418 93 G HA2 -0.287 3.675 3.960 0.003 0.000 0.217 93 G HA3 -0.287 3.675 3.960 0.003 0.000 0.217 93 G C 1.671 176.606 174.900 0.059 0.000 1.158 93 G CA 0.736 45.887 45.100 0.085 0.000 0.771 93 G HN 0.254 nan 8.290 nan 0.000 0.545 94 K N 0.481 120.909 120.400 0.046 0.000 2.032 94 K HA -0.011 4.311 4.320 0.003 0.000 0.209 94 K C 2.494 179.105 176.600 0.019 0.000 1.048 94 K CA 1.481 57.785 56.287 0.028 0.000 0.927 94 K CB -0.326 32.187 32.500 0.022 0.000 0.712 94 K HN 0.409 nan 8.250 nan 0.000 0.441 95 L N -1.187 120.049 121.223 0.022 0.000 2.492 95 L HA 0.094 4.436 4.340 0.003 0.000 0.223 95 L C 1.834 178.710 176.870 0.010 0.000 1.132 95 L CA 1.096 55.940 54.840 0.007 0.000 0.850 95 L CB -0.325 41.732 42.059 -0.004 0.000 0.966 95 L HN 0.105 nan 8.230 nan 0.000 0.454 96 E N 1.147 121.369 120.200 0.035 0.000 2.047 96 E HA -0.199 4.153 4.350 0.003 0.000 0.191 96 E C 2.379 178.987 176.600 0.014 0.000 0.987 96 E CA 1.673 58.100 56.400 0.044 0.000 0.799 96 E CB -0.104 29.655 29.700 0.099 0.000 0.752 96 E HN 0.469 nan 8.360 nan 0.000 0.449 97 S N -0.624 115.081 115.700 0.009 0.000 2.370 97 S HA -0.124 4.348 4.470 0.003 0.000 0.226 97 S C 1.919 176.503 174.600 -0.026 0.000 1.033 97 S CA 1.393 59.585 58.200 -0.013 0.000 1.011 97 S CB -0.375 62.823 63.200 -0.003 0.000 0.852 97 S HN 0.369 nan 8.310 nan 0.000 0.457 98 I N 1.115 121.672 120.570 -0.020 0.000 2.315 98 I HA -0.134 4.038 4.170 0.003 0.000 0.248 98 I C 2.365 178.457 176.117 -0.042 0.000 1.117 98 I CA 1.447 62.727 61.300 -0.032 0.000 1.404 98 I CB -0.376 37.608 38.000 -0.027 0.000 1.071 98 I HN 0.298 nan 8.210 nan 0.000 0.419 99 D N 0.452 120.834 120.400 -0.030 0.000 2.097 99 D HA -0.163 4.479 4.640 0.003 0.000 0.197 99 D C 2.158 178.437 176.300 -0.036 0.000 0.984 99 D CA 1.703 55.686 54.000 -0.029 0.000 0.826 99 D CB 0.090 40.882 40.800 -0.014 0.000 0.973 99 D HN 0.528 nan 8.370 nan 0.000 0.460 100 C N -3.058 116.225 119.300 -0.029 0.000 3.019 100 C HA 0.717 5.179 4.460 0.003 0.000 0.295 100 C C 1.858 176.807 174.990 -0.067 0.000 1.256 100 C CA 0.551 59.554 59.018 -0.025 0.000 1.706 100 C CB 0.335 28.096 27.740 0.034 0.000 2.153 100 C HN 0.402 nan 8.230 nan 0.000 0.618 101 G N 1.713 110.464 108.800 -0.082 0.000 2.179 101 G HA2 -0.178 3.784 3.960 0.003 0.000 0.220 101 G HA3 -0.178 3.784 3.960 0.003 0.000 0.220 101 G C -0.042 174.790 174.900 -0.113 0.000 0.990 101 G CA 0.217 45.249 45.100 -0.113 0.000 0.646 101 G HN 0.996 nan 8.290 nan 0.000 0.517 102 K N 0.584 120.913 120.400 -0.119 0.000 2.237 102 K HA 0.579 4.901 4.320 0.003 0.000 0.270 102 K C -2.608 173.934 176.600 -0.097 0.000 1.015 102 K CA -1.654 54.540 56.287 -0.155 0.000 0.949 102 K CB 0.863 33.222 32.500 -0.235 0.000 0.976 102 K HN 0.027 nan 8.250 nan 0.000 0.472 103 P HA -0.128 nan 4.420 nan 0.000 0.265 103 P C 0.549 177.842 177.300 -0.013 0.000 1.187 103 P CA -0.254 62.829 63.100 -0.029 0.000 0.766 103 P CB 0.352 32.043 31.700 -0.015 0.000 0.820 104 L N 4.169 125.399 121.223 0.012 0.000 2.043 104 L HA -0.235 4.107 4.340 0.003 0.000 0.212 104 L C 1.885 178.780 176.870 0.041 0.000 1.075 104 L CA 2.017 56.872 54.840 0.024 0.000 0.752 104 L CB -1.089 40.987 42.059 0.028 0.000 0.891 104 L HN 0.420 nan 8.230 nan 0.000 0.432 105 E N -0.803 119.429 120.200 0.055 0.000 2.153 105 E HA -0.235 4.117 4.350 0.003 0.000 0.194 105 E C 2.019 178.685 176.600 0.110 0.000 0.988 105 E CA 1.357 57.807 56.400 0.083 0.000 0.811 105 E CB -0.117 29.642 29.700 0.098 0.000 0.746 105 E HN 0.657 nan 8.360 nan 0.000 0.466 106 E N 0.638 120.889 120.200 0.086 0.000 2.072 106 E HA -0.163 4.189 4.350 0.003 0.000 0.191 106 E C 2.148 178.795 176.600 0.079 0.000 0.985 106 E CA 0.847 57.297 56.400 0.085 0.000 0.801 106 E CB -0.098 29.516 29.700 -0.142 0.000 0.750 106 E HN 0.203 nan 8.360 nan 0.000 0.452 107 A N 1.315 124.158 122.820 0.039 0.000 1.902 107 A HA -0.171 4.151 4.320 0.003 0.000 0.217 107 A C 2.212 179.844 177.584 0.079 0.000 1.181 107 A CA 1.120 53.190 52.037 0.054 0.000 0.623 107 A CB -0.680 18.343 19.000 0.038 0.000 0.818 107 A HN 0.124 nan 8.150 nan 0.000 0.443 108 L N -0.835 120.433 121.223 0.076 0.000 2.046 108 L HA -0.187 4.155 4.340 0.003 0.000 0.208 108 L C 3.089 180.008 176.870 0.083 0.000 1.077 108 L CA 1.031 55.917 54.840 0.076 0.000 0.747 108 L CB -0.593 41.508 42.059 0.069 0.000 0.896 108 L HN 0.435 nan 8.230 nan 0.000 0.432 109 A N -0.126 122.757 122.820 0.105 0.000 1.902 109 A HA -0.236 4.086 4.320 0.003 0.000 0.217 109 A C 1.922 179.567 177.584 0.101 0.000 1.181 109 A CA 1.985 54.092 52.037 0.117 0.000 0.623 109 A CB -0.520 18.581 19.000 0.169 0.000 0.818 109 A HN 0.334 nan 8.150 nan 0.000 0.443 110 D N -0.201 120.264 120.400 0.109 0.000 2.123 110 D HA -0.127 4.515 4.640 0.003 0.000 0.196 110 D C 1.835 178.144 176.300 0.014 0.000 0.992 110 D CA 1.075 55.124 54.000 0.080 0.000 0.833 110 D CB -0.333 40.541 40.800 0.123 0.000 0.954 110 D HN 0.382 nan 8.370 nan 0.000 0.455 111 L N 0.728 121.963 121.223 0.019 0.000 2.083 111 L HA -0.165 4.177 4.340 0.003 0.000 0.209 111 L C 1.843 178.702 176.870 -0.019 0.000 1.083 111 L CA 1.216 56.035 54.840 -0.035 0.000 0.752 111 L CB -0.158 41.918 42.059 0.029 0.000 0.899 111 L HN -0.080 nan 8.230 nan 0.000 0.433 112 D N -0.396 120.021 120.400 0.028 0.000 2.178 112 D HA -0.179 4.463 4.640 0.003 0.000 0.201 112 D C 1.742 178.072 176.300 0.050 0.000 0.980 112 D CA 1.099 55.126 54.000 0.046 0.000 0.842 112 D CB -0.132 40.704 40.800 0.061 0.000 0.948 112 D HN 0.341 nan 8.370 nan 0.000 0.472 113 D N -0.128 120.298 120.400 0.043 0.000 2.162 113 D HA -0.058 4.584 4.640 0.003 0.000 0.203 113 D C 2.308 178.638 176.300 0.050 0.000 0.967 113 D CA 0.221 54.255 54.000 0.058 0.000 0.840 113 D CB 0.021 40.858 40.800 0.062 0.000 0.972 113 D HN 0.051 nan 8.370 nan 0.000 0.482 114 V N 1.065 120.964 119.914 -0.025 0.000 2.255 114 V HA -0.239 3.883 4.120 0.003 0.000 0.247 114 V C 2.722 178.876 176.094 0.100 0.000 1.051 114 V CA 1.184 63.437 62.300 -0.078 0.000 1.018 114 V CB -0.511 31.061 31.823 -0.419 0.000 0.641 114 V HN 0.041 nan 8.190 nan 0.000 0.445 115 V N 0.257 120.227 119.914 0.093 0.000 2.255 115 V HA -0.316 3.806 4.120 0.003 0.000 0.247 115 V C 2.697 178.907 176.094 0.193 0.000 1.051 115 V CA 2.309 64.707 62.300 0.165 0.000 1.018 115 V CB -1.219 30.660 31.823 0.093 0.000 0.641 115 V HN 0.587 nan 8.190 nan 0.000 0.445 116 A N -1.436 121.466 122.820 0.136 0.000 1.972 116 A HA -0.280 4.042 4.320 0.003 0.000 0.219 116 A C 2.381 180.063 177.584 0.163 0.000 1.169 116 A CA 2.013 54.130 52.037 0.134 0.000 0.635 116 A CB -1.051 18.007 19.000 0.098 0.000 0.810 116 A HN 0.641 nan 8.150 nan 0.000 0.446 117 C N -1.638 117.752 119.300 0.150 0.000 2.453 117 C HA -0.035 4.427 4.460 0.003 0.000 0.277 117 C C 2.388 177.525 174.990 0.245 0.000 1.262 117 C CA 1.084 60.198 59.018 0.160 0.000 1.718 117 C CB -1.547 26.252 27.740 0.099 0.000 2.031 117 C HN 0.592 nan 8.230 nan 0.000 0.480 118 F N 1.488 121.579 119.950 0.234 0.000 2.095 118 F HA -0.092 4.437 4.527 0.004 0.000 0.298 118 F C 2.440 178.361 175.800 0.201 0.000 1.104 118 F CA 2.278 60.414 58.000 0.226 0.000 1.232 118 F CB -0.769 38.324 39.000 0.154 0.000 0.987 118 F HN 0.357 nan 8.300 nan 0.000 0.475 119 E N -1.178 119.227 120.200 0.342 0.000 2.085 119 E HA -0.294 4.058 4.350 0.003 0.000 0.194 119 E C 2.028 178.723 176.600 0.159 0.000 0.994 119 E CA 1.615 58.142 56.400 0.212 0.000 0.801 119 E CB -0.520 29.277 29.700 0.162 0.000 0.743 119 E HN 0.508 nan 8.360 nan 0.000 0.453 120 Y N 0.238 120.556 120.300 0.030 0.000 2.097 120 Y HA -0.311 4.241 4.550 0.003 0.000 0.282 120 Y C 1.812 177.607 175.900 -0.174 0.000 1.152 120 Y CA 1.787 59.814 58.100 -0.122 0.000 1.136 120 Y CB -0.418 37.889 38.460 -0.255 0.000 0.975 120 Y HN 0.065 nan 8.280 nan 0.000 0.498 121 Y N -0.439 119.911 120.300 0.082 0.000 2.439 121 Y HA -0.069 4.483 4.550 0.003 0.000 0.292 121 Y C 2.546 178.450 175.900 0.007 0.000 1.130 121 Y CA 0.622 58.725 58.100 0.004 0.000 1.254 121 Y CB -0.581 37.946 38.460 0.112 0.000 1.000 121 Y HN 0.269 nan 8.280 nan 0.000 0.554 122 A N 0.351 123.279 122.820 0.181 0.000 1.883 122 A HA -0.166 4.156 4.320 0.003 0.000 0.217 122 A C 2.561 180.154 177.584 0.014 0.000 1.186 122 A CA 1.864 53.976 52.037 0.124 0.000 0.624 122 A CB -1.483 17.601 19.000 0.138 0.000 0.822 122 A HN 0.467 nan 8.150 nan 0.000 0.444 123 G N -0.364 108.394 108.800 -0.071 0.000 2.446 123 G HA2 -0.154 3.808 3.960 0.003 0.000 0.217 123 G HA3 -0.154 3.808 3.960 0.003 0.000 0.217 123 G C 1.384 176.190 174.900 -0.157 0.000 1.168 123 G CA 1.261 46.282 45.100 -0.132 0.000 0.771 123 G HN 0.355 nan 8.290 nan 0.000 0.551 124 L N 1.286 122.370 121.223 -0.230 0.000 2.083 124 L HA 0.101 4.443 4.340 0.003 0.000 0.209 124 L C 3.250 180.093 176.870 -0.044 0.000 1.083 124 L CA 1.603 56.349 54.840 -0.158 0.000 0.752 124 L CB -0.856 41.105 42.059 -0.163 0.000 0.899 124 L HN 0.293 nan 8.230 nan 0.000 0.433 125 A N -0.904 121.917 122.820 0.002 0.000 1.902 125 A HA -0.227 4.095 4.320 0.003 0.000 0.217 125 A C 2.249 179.818 177.584 -0.025 0.000 1.181 125 A CA 1.641 53.683 52.037 0.008 0.000 0.623 125 A CB -0.515 18.510 19.000 0.041 0.000 0.818 125 A HN 0.455 nan 8.150 nan 0.000 0.443 126 E N -0.311 119.872 120.200 -0.028 0.000 2.118 126 E HA -0.202 4.150 4.350 0.003 0.000 0.195 126 E C 1.804 178.377 176.600 -0.044 0.000 0.992 126 E CA 1.558 57.937 56.400 -0.036 0.000 0.804 126 E CB -0.107 29.573 29.700 -0.034 0.000 0.741 126 E HN 0.762 nan 8.360 nan 0.000 0.458 127 E N -0.152 120.017 120.200 -0.052 0.000 2.442 127 E HA -0.057 4.295 4.350 0.003 0.000 0.195 127 E C 1.729 178.301 176.600 -0.046 0.000 1.030 127 E CA -0.117 56.252 56.400 -0.052 0.000 0.869 127 E CB 0.195 29.856 29.700 -0.065 0.000 0.857 127 E HN 0.100 nan 8.360 nan 0.000 0.505 128 L N 1.616 122.815 121.223 -0.041 0.000 2.046 128 L HA -0.168 4.174 4.340 0.003 0.000 0.208 128 L C 1.325 178.173 176.870 -0.036 0.000 1.077 128 L CA 1.853 56.673 54.840 -0.033 0.000 0.747 128 L CB -0.216 41.829 42.059 -0.023 0.000 0.896 128 L HN -0.057 nan 8.230 nan 0.000 0.432 129 D N -0.602 119.773 120.400 -0.042 0.000 2.158 129 D HA -0.191 4.451 4.640 0.003 0.000 0.197 129 D C 2.363 178.636 176.300 -0.045 0.000 0.995 129 D CA 1.660 55.633 54.000 -0.045 0.000 0.846 129 D CB -0.241 40.530 40.800 -0.047 0.000 0.941 129 D HN 0.591 nan 8.370 nan 0.000 0.456 130 S N -0.524 115.150 115.700 -0.044 0.000 2.489 130 S HA -0.011 4.461 4.470 0.003 0.000 0.228 130 S C 1.670 176.244 174.600 -0.044 0.000 0.995 130 S CA 0.423 58.596 58.200 -0.045 0.000 0.934 130 S CB 0.065 63.240 63.200 -0.042 0.000 0.771 130 S HN -0.011 nan 8.310 nan 0.000 0.522 131 K N 1.038 121.414 120.400 -0.039 0.000 2.432 131 K HA 0.220 4.542 4.320 0.003 0.000 0.196 131 K C 0.794 177.377 176.600 -0.028 0.000 1.038 131 K CA 0.303 56.570 56.287 -0.034 0.000 0.986 131 K CB -0.022 32.458 32.500 -0.032 0.000 0.782 131 K HN 0.376 nan 8.250 nan 0.000 0.485 132 Q N 0.736 120.516 119.800 -0.034 0.000 2.454 132 Q HA 0.028 4.370 4.340 0.003 0.000 0.247 132 Q C 0.002 175.962 176.000 -0.067 0.000 1.028 132 Q CA 0.371 56.155 55.803 -0.032 0.000 0.910 132 Q CB 0.635 29.351 28.738 -0.038 0.000 1.276 132 Q HN 0.037 nan 8.270 nan 0.000 0.489 133 K N -1.142 119.215 120.400 -0.072 0.000 3.130 133 K HA -0.228 4.094 4.320 0.003 0.000 0.282 133 K C -0.436 176.098 176.600 -0.111 0.000 1.145 133 K CA 0.610 56.742 56.287 -0.258 0.000 0.831 133 K CB -1.451 30.735 32.500 -0.524 0.000 1.226 133 K HN 0.720 nan 8.250 nan 0.000 0.478 134 A N 1.684 124.507 122.820 0.006 0.000 2.515 134 A HA 0.198 4.520 4.320 0.003 0.000 0.263 134 A C -1.655 175.981 177.584 0.087 0.000 1.096 134 A CA -0.727 51.324 52.037 0.024 0.000 0.769 134 A CB -0.142 18.869 19.000 0.018 0.000 1.040 134 A HN 0.072 nan 8.150 nan 0.000 0.505 135 P HA 0.286 nan 4.420 nan 0.000 0.274 135 P C -0.660 176.687 177.300 0.078 0.000 1.231 135 P CA -0.068 63.097 63.100 0.109 0.000 0.790 135 P CB 0.886 32.627 31.700 0.069 0.000 0.951 136 I N 1.384 122.002 120.570 0.080 0.000 2.382 136 I HA 0.112 4.284 4.170 0.003 0.000 0.286 136 I C 0.589 176.733 176.117 0.044 0.000 1.002 136 I CA -0.590 60.738 61.300 0.046 0.000 1.135 136 I CB 1.389 39.407 38.000 0.030 0.000 1.288 136 I HN 0.331 nan 8.210 nan 0.000 0.448 137 S N 6.860 122.579 115.700 0.033 0.000 2.531 137 S HA 0.529 5.001 4.470 0.003 0.000 0.279 137 S C -0.334 174.285 174.600 0.031 0.000 1.305 137 S CA -0.619 57.601 58.200 0.034 0.000 1.058 137 S CB 1.149 64.364 63.200 0.026 0.000 0.899 137 S HN 0.351 nan 8.310 nan 0.000 0.493 138 L N 3.467 124.716 121.223 0.043 0.000 2.333 138 L HA 0.537 4.879 4.340 0.003 0.000 0.269 138 L C -1.344 175.556 176.870 0.049 0.000 1.010 138 L CA -1.948 52.919 54.840 0.044 0.000 0.818 138 L CB 0.634 42.734 42.059 0.070 0.000 1.306 138 L HN 0.432 nan 8.230 nan 0.000 0.430 139 P HA 0.077 nan 4.420 nan 0.000 0.214 139 P C 0.140 177.484 177.300 0.074 0.000 1.162 139 P CA 0.990 64.118 63.100 0.046 0.000 0.874 139 P CB 0.190 31.909 31.700 0.031 0.000 0.784 140 M N -0.114 119.552 119.600 0.109 0.000 2.241 140 M HA 0.042 4.524 4.480 0.003 0.000 0.335 140 M C 0.461 176.865 176.300 0.174 0.000 1.122 140 M CA 0.237 55.638 55.300 0.168 0.000 1.164 140 M CB 0.477 33.244 32.600 0.277 0.000 1.459 140 M HN -0.201 nan 8.290 nan 0.000 0.461 141 D N -0.093 120.393 120.400 0.143 0.000 2.333 141 D HA -0.054 4.588 4.640 0.003 0.000 0.208 141 D C 1.662 178.009 176.300 0.078 0.000 0.984 141 D CA 0.950 55.008 54.000 0.096 0.000 0.873 141 D CB 0.098 40.931 40.800 0.057 0.000 0.935 141 D HN 0.716 nan 8.370 nan 0.000 0.521 142 T N -2.311 112.318 114.554 0.124 0.000 3.148 142 T HA 0.154 4.506 4.350 0.003 0.000 0.253 142 T C 0.218 174.771 174.700 -0.245 0.000 1.134 142 T CA -0.032 62.037 62.100 -0.052 0.000 1.051 142 T CB -0.333 68.558 68.868 0.038 0.000 0.959 142 T HN -0.123 nan 8.240 nan 0.000 0.525 143 F N 0.432 120.432 119.950 0.083 0.000 2.599 143 F HA 0.667 5.196 4.527 0.004 0.000 0.311 143 F C -0.216 175.610 175.800 0.043 0.000 1.076 143 F CA -1.373 56.677 58.000 0.083 0.000 0.937 143 F CB 2.438 41.497 39.000 0.099 0.000 1.282 143 F HN -0.170 nan 8.300 nan 0.000 0.460 144 K N 1.299 121.838 120.400 0.231 0.000 2.468 144 K HA 0.709 5.031 4.320 0.003 0.000 0.252 144 K C -1.600 175.068 176.600 0.114 0.000 0.932 144 K CA -0.444 55.931 56.287 0.147 0.000 0.794 144 K CB 2.066 34.632 32.500 0.109 0.000 1.241 144 K HN 0.597 nan 8.250 nan 0.000 0.428 145 S N 3.183 118.937 115.700 0.090 0.000 2.547 145 S HA 0.686 5.158 4.470 0.003 0.000 0.281 145 S C -1.729 172.915 174.600 0.073 0.000 1.118 145 S CA -0.595 57.605 58.200 0.000 0.000 0.947 145 S CB 0.596 63.789 63.200 -0.012 0.000 1.053 145 S HN 0.569 nan 8.310 nan 0.000 0.482 146 Y N 2.109 122.419 120.300 0.017 0.000 2.677 146 Y HA 0.797 5.349 4.550 0.003 0.000 0.334 146 Y C -0.810 175.090 175.900 0.001 0.000 1.154 146 Y CA -1.548 56.556 58.100 0.007 0.000 1.070 146 Y CB 0.596 39.059 38.460 0.005 0.000 1.294 146 Y HN 0.695 nan 8.280 nan 0.000 0.475 147 I N 0.476 121.197 120.570 0.252 0.000 2.648 147 I HA 0.762 4.934 4.170 0.003 0.000 0.304 147 I C -1.494 174.749 176.117 0.210 0.000 1.009 147 I CA -1.168 60.217 61.300 0.142 0.000 1.114 147 I CB 2.145 40.184 38.000 0.065 0.000 1.293 147 I HN 0.596 nan 8.210 nan 0.000 0.449 148 L N 4.264 125.567 121.223 0.133 0.000 2.362 148 L HA 0.538 4.880 4.340 0.003 0.000 0.271 148 L C -0.456 176.449 176.870 0.058 0.000 1.002 148 L CA -0.832 54.073 54.840 0.109 0.000 0.818 148 L CB 2.000 44.130 42.059 0.120 0.000 1.298 148 L HN 0.597 nan 8.230 nan 0.000 0.420 149 K N 3.401 123.826 120.400 0.042 0.000 2.299 149 K HA 0.401 4.723 4.320 0.003 0.000 0.268 149 K C -0.902 175.718 176.600 0.033 0.000 1.075 149 K CA -0.396 55.910 56.287 0.031 0.000 0.936 149 K CB 1.317 33.829 32.500 0.020 0.000 1.228 149 K HN 0.545 nan 8.250 nan 0.000 0.454 150 E N 3.558 123.781 120.200 0.038 0.000 2.202 150 E HA 0.277 4.629 4.350 0.003 0.000 0.272 150 E C -2.381 174.253 176.600 0.056 0.000 0.951 150 E CA -2.373 54.051 56.400 0.041 0.000 0.813 150 E CB 1.273 30.997 29.700 0.040 0.000 1.151 150 E HN 0.279 nan 8.360 nan 0.000 0.398 151 P HA -0.048 nan 4.420 nan 0.000 0.266 151 P C 0.457 177.815 177.300 0.097 0.000 1.195 151 P CA 0.120 63.277 63.100 0.095 0.000 0.768 151 P CB 0.770 32.529 31.700 0.099 0.000 0.838 152 I N 1.373 122.017 120.570 0.123 0.000 2.614 152 I HA -0.020 4.152 4.170 0.003 0.000 0.258 152 I C 1.262 177.439 176.117 0.099 0.000 1.189 152 I CA 2.240 63.604 61.300 0.107 0.000 1.462 152 I CB -0.696 37.376 38.000 0.121 0.000 1.092 152 I HN 0.801 nan 8.210 nan 0.000 0.442 153 G N -0.832 108.034 108.800 0.110 0.000 2.436 153 G HA2 -0.131 3.831 3.960 0.003 0.000 0.205 153 G HA3 -0.131 3.831 3.960 0.003 0.000 0.205 153 G C -0.706 174.248 174.900 0.090 0.000 1.188 153 G CA -0.247 44.907 45.100 0.091 0.000 1.267 153 G HN 0.053 nan 8.290 nan 0.000 0.536 154 V N 1.862 121.817 119.914 0.069 0.000 2.407 154 V HA 0.576 4.698 4.120 0.003 0.000 0.278 154 V C 0.653 176.788 176.094 0.068 0.000 1.037 154 V CA 0.099 62.427 62.300 0.047 0.000 0.900 154 V CB 0.920 32.749 31.823 0.010 0.000 0.983 154 V HN 1.476 nan 8.190 nan 0.000 0.459 155 V N 2.733 122.689 119.914 0.069 0.000 2.495 155 V HA 0.938 5.060 4.120 0.003 0.000 0.298 155 V C 0.120 176.265 176.094 0.086 0.000 1.031 155 V CA -0.937 61.431 62.300 0.114 0.000 0.871 155 V CB 1.522 33.454 31.823 0.181 0.000 0.988 155 V HN 0.928 nan 8.190 nan 0.000 0.432 156 A N 5.817 128.702 122.820 0.109 0.000 2.269 156 A HA 0.774 5.096 4.320 0.003 0.000 0.302 156 A C -0.676 176.993 177.584 0.141 0.000 1.266 156 A CA -0.375 51.723 52.037 0.101 0.000 0.894 156 A CB 0.191 19.250 19.000 0.097 0.000 1.147 156 A HN 0.828 nan 8.150 nan 0.000 0.537 157 L N 4.247 125.542 121.223 0.119 0.000 2.277 157 L HA 0.476 4.818 4.340 0.003 0.000 0.284 157 L C -0.347 176.600 176.870 0.128 0.000 1.028 157 L CA 0.011 54.931 54.840 0.132 0.000 0.835 157 L CB 0.642 42.754 42.059 0.088 0.000 1.215 157 L HN 0.585 nan 8.230 nan 0.000 0.425 158 I N 3.006 123.676 120.570 0.167 0.000 2.382 158 I HA 0.500 4.672 4.170 0.003 0.000 0.286 158 I C 0.156 176.295 176.117 0.037 0.000 1.002 158 I CA -0.333 61.072 61.300 0.175 0.000 1.135 158 I CB 1.868 40.087 38.000 0.365 0.000 1.288 158 I HN 0.589 nan 8.210 nan 0.000 0.448 159 T N 3.768 118.322 114.554 -0.001 0.000 2.924 159 T HA 0.691 5.043 4.350 0.003 0.000 0.291 159 T C -2.795 171.840 174.700 -0.107 0.000 1.045 159 T CA -2.085 59.967 62.100 -0.080 0.000 1.015 159 T CB 2.314 71.170 68.868 -0.020 0.000 1.103 159 T HN 0.220 nan 8.240 nan 0.000 0.496 160 P HA 0.302 nan 4.420 nan 0.000 0.281 160 P C 0.575 177.778 177.300 -0.162 0.000 1.281 160 P CA -0.879 62.049 63.100 -0.286 0.000 0.811 160 P CB 0.993 32.432 31.700 -0.435 0.000 1.154 161 W N 1.012 122.308 121.300 -0.006 0.000 3.290 161 W HA 0.053 4.715 4.660 0.003 0.000 0.287 161 W C 0.767 177.249 176.519 -0.063 0.000 1.288 161 W CA 0.103 57.436 57.345 -0.020 0.000 1.725 161 W CB -1.394 28.060 29.460 -0.010 0.000 1.103 161 W HN 0.252 nan 8.180 nan 0.000 0.670 162 N N 1.582 120.132 118.700 -0.249 0.000 2.300 162 N HA -0.179 4.563 4.740 0.003 0.000 0.179 162 N C -0.296 174.868 175.510 -0.576 0.000 1.016 162 N CA 0.813 53.660 53.050 -0.338 0.000 0.876 162 N CB -1.085 37.080 38.487 -0.537 0.000 0.979 162 N HN 0.171 nan 8.380 nan 0.000 0.432 163 Y N -0.029 120.171 120.300 -0.167 0.000 2.584 163 Y HA 0.434 4.986 4.550 0.003 0.000 0.358 163 Y C -1.808 174.027 175.900 -0.109 0.000 1.028 163 Y CA -2.097 55.903 58.100 -0.167 0.000 1.148 163 Y CB 1.835 40.107 38.460 -0.313 0.000 1.126 163 Y HN -0.034 nan 8.280 nan 0.000 0.658 164 P HA -0.246 nan 4.420 nan 0.000 0.214 164 P C 1.710 179.100 177.300 0.150 0.000 1.163 164 P CA 1.538 64.693 63.100 0.092 0.000 0.889 164 P CB 0.225 31.980 31.700 0.092 0.000 0.790 165 F N -0.311 119.649 119.950 0.017 0.000 2.163 165 F HA -0.028 4.501 4.527 0.003 0.000 0.297 165 F C 2.100 177.898 175.800 -0.003 0.000 1.094 165 F CA 0.642 58.661 58.000 0.033 0.000 1.290 165 F CB -1.343 37.692 39.000 0.059 0.000 1.017 165 F HN -0.252 nan 8.300 nan 0.000 0.483 166 L N -0.094 121.201 121.223 0.121 0.000 2.046 166 L HA -0.192 4.150 4.340 0.003 0.000 0.208 166 L C 2.157 178.813 176.870 -0.357 0.000 1.077 166 L CA 1.696 56.446 54.840 -0.150 0.000 0.747 166 L CB -0.766 41.143 42.059 -0.249 0.000 0.896 166 L HN 0.013 nan 8.230 nan 0.000 0.432 167 M N -0.719 118.672 119.600 -0.348 0.000 2.175 167 M HA -0.080 4.402 4.480 0.003 0.000 0.264 167 M C 2.424 178.682 176.300 -0.070 0.000 1.063 167 M CA 1.644 56.719 55.300 -0.375 0.000 1.119 167 M CB -1.694 30.739 32.600 -0.278 0.000 1.377 167 M HN 0.416 nan 8.290 nan 0.000 0.415 168 A N -0.128 122.707 122.820 0.026 0.000 1.883 168 A HA -0.161 4.161 4.320 0.003 0.000 0.217 168 A C 2.328 179.977 177.584 0.109 0.000 1.186 168 A CA 2.405 54.500 52.037 0.097 0.000 0.624 168 A CB -1.193 17.895 19.000 0.147 0.000 0.822 168 A HN 0.484 nan 8.150 nan 0.000 0.444 169 T N -1.524 113.100 114.554 0.117 0.000 2.746 169 T HA -0.189 4.163 4.350 0.003 0.000 0.267 169 T C 1.462 176.165 174.700 0.005 0.000 1.039 169 T CA 1.379 63.459 62.100 -0.033 0.000 1.142 169 T CB -0.380 68.415 68.868 -0.121 0.000 0.866 169 T HN 0.663 nan 8.240 nan 0.000 0.444 170 W N 2.119 123.339 121.300 -0.133 0.000 2.341 170 W HA -0.032 4.629 4.660 0.002 0.000 0.283 170 W C 2.174 178.642 176.519 -0.084 0.000 1.215 170 W CA 0.546 57.836 57.345 -0.093 0.000 1.211 170 W CB -0.359 29.055 29.460 -0.077 0.000 1.131 170 W HN 0.353 nan 8.180 nan 0.000 0.552 171 K N -1.094 119.392 120.400 0.143 0.000 2.240 171 K HA 0.033 4.355 4.320 0.003 0.000 0.202 171 K C 1.900 178.382 176.600 -0.197 0.000 1.053 171 K CA 0.932 57.249 56.287 0.050 0.000 0.973 171 K CB -0.611 31.969 32.500 0.133 0.000 0.924 171 K HN 0.089 nan 8.250 nan 0.000 0.477 172 I N 0.198 120.700 120.570 -0.113 0.000 2.252 172 I HA -0.127 4.045 4.170 0.003 0.000 0.245 172 I C 2.227 178.257 176.117 -0.144 0.000 1.102 172 I CA 1.554 62.788 61.300 -0.111 0.000 1.385 172 I CB -0.326 37.702 38.000 0.046 0.000 1.064 172 I HN -0.000 nan 8.210 nan 0.000 0.414 173 A N 1.906 124.579 122.820 -0.245 0.000 1.877 173 A HA -0.020 4.302 4.320 0.003 0.000 0.216 173 A C 0.453 177.852 177.584 -0.307 0.000 1.186 173 A CA 1.973 53.869 52.037 -0.234 0.000 0.620 173 A CB -2.274 16.456 19.000 -0.450 0.000 0.822 173 A HN 0.523 nan 8.150 nan 0.000 0.443 174 P HA -0.055 nan 4.420 nan 0.000 0.219 174 P C 1.597 178.722 177.300 -0.292 0.000 1.150 174 P CA 1.755 64.470 63.100 -0.641 0.000 0.814 174 P CB -0.133 31.162 31.700 -0.675 0.000 0.787 175 A N 0.787 123.275 122.820 -0.553 0.000 1.858 175 A HA -0.141 4.181 4.320 0.003 0.000 0.216 175 A C 2.449 179.982 177.584 -0.085 0.000 1.190 175 A CA 1.502 53.187 52.037 -0.586 0.000 0.617 175 A CB -1.604 16.913 19.000 -0.805 0.000 0.827 175 A HN 0.093 nan 8.150 nan 0.000 0.443 176 L N -0.920 120.324 121.223 0.036 0.000 2.046 176 L HA -0.187 4.155 4.340 0.003 0.000 0.208 176 L C 3.114 180.219 176.870 0.392 0.000 1.077 176 L CA 1.161 56.217 54.840 0.360 0.000 0.747 176 L CB -0.829 41.444 42.059 0.356 0.000 0.896 176 L HN 0.471 nan 8.230 nan 0.000 0.432 177 A N 0.360 123.303 122.820 0.206 0.000 1.940 177 A HA -0.162 4.160 4.320 0.003 0.000 0.219 177 A C 2.483 180.115 177.584 0.080 0.000 1.176 177 A CA 1.739 53.865 52.037 0.149 0.000 0.631 177 A CB -0.583 18.521 19.000 0.173 0.000 0.814 177 A HN 0.409 nan 8.150 nan 0.000 0.446 178 A N -2.028 120.849 122.820 0.094 0.000 2.121 178 A HA 0.347 4.669 4.320 0.003 0.000 0.218 178 A C 1.908 179.530 177.584 0.062 0.000 1.154 178 A CA 1.550 53.642 52.037 0.091 0.000 0.679 178 A CB -0.837 18.256 19.000 0.154 0.000 0.795 178 A HN 1.962 nan 8.150 nan 0.000 0.458 179 G N -2.643 106.208 108.800 0.085 0.000 2.148 179 G HA2 -0.207 3.755 3.960 0.003 0.000 0.203 179 G HA3 -0.207 3.755 3.960 0.003 0.000 0.203 179 G C 0.150 175.213 174.900 0.271 0.000 0.993 179 G CA -0.121 44.997 45.100 0.030 0.000 0.661 179 G HN 0.581 nan 8.290 nan 0.000 0.518 180 C N 0.922 120.385 119.300 0.273 0.000 2.595 180 C HA 0.789 5.251 4.460 0.003 0.000 0.384 180 C C 1.228 176.340 174.990 0.203 0.000 1.289 180 C CA 0.374 59.518 59.018 0.210 0.000 2.372 180 C CB 0.852 28.668 27.740 0.126 0.000 2.593 180 C HN 1.149 nan 8.230 nan 0.000 0.639 181 A N 1.375 124.249 122.820 0.089 0.000 2.312 181 A HA 0.801 5.123 4.320 0.003 0.000 0.326 181 A C -0.268 177.290 177.584 -0.043 0.000 1.172 181 A CA -0.240 51.774 52.037 -0.037 0.000 0.821 181 A CB 0.628 19.599 19.000 -0.048 0.000 1.166 181 A HN 1.303 nan 8.150 nan 0.000 0.493 182 A N 1.701 124.470 122.820 -0.085 0.000 2.365 182 A HA 0.756 5.078 4.320 0.003 0.000 0.318 182 A C -0.982 176.573 177.584 -0.049 0.000 1.091 182 A CA -0.433 51.572 52.037 -0.054 0.000 0.763 182 A CB 0.686 19.648 19.000 -0.063 0.000 1.248 182 A HN 0.690 nan 8.150 nan 0.000 0.442 183 I N 1.869 122.426 120.570 -0.022 0.000 2.382 183 I HA 0.382 4.554 4.170 0.003 0.000 0.286 183 I C -0.493 175.638 176.117 0.024 0.000 1.002 183 I CA -0.259 61.034 61.300 -0.011 0.000 1.135 183 I CB 1.612 39.598 38.000 -0.024 0.000 1.288 183 I HN 0.573 nan 8.210 nan 0.000 0.448 184 L N 7.204 128.448 121.223 0.035 0.000 2.289 184 L HA 0.569 4.911 4.340 0.003 0.000 0.285 184 L C -0.415 176.491 176.870 0.061 0.000 1.049 184 L CA -0.054 54.819 54.840 0.054 0.000 0.804 184 L CB 0.596 42.689 42.059 0.058 0.000 1.195 184 L HN 0.377 nan 8.230 nan 0.000 0.428 185 K N 6.708 127.151 120.400 0.072 0.000 2.530 185 K HA 0.504 4.826 4.320 0.003 0.000 0.230 185 K C -2.748 173.900 176.600 0.081 0.000 1.002 185 K CA -2.094 54.239 56.287 0.077 0.000 1.014 185 K CB 1.258 33.811 32.500 0.087 0.000 1.286 185 K HN 0.335 nan 8.250 nan 0.000 0.480 186 P HA 0.120 nan 4.420 nan 0.000 0.277 186 P C -0.237 177.119 177.300 0.093 0.000 1.271 186 P CA -0.481 62.662 63.100 0.071 0.000 0.795 186 P CB 0.655 32.388 31.700 0.054 0.000 1.101 187 S N 0.302 116.076 115.700 0.123 0.000 2.562 187 S HA 0.005 4.477 4.470 0.003 0.000 0.281 187 S C 1.446 176.121 174.600 0.124 0.000 1.333 187 S CA -0.396 57.911 58.200 0.178 0.000 1.052 187 S CB -0.116 63.292 63.200 0.348 0.000 0.884 187 S HN 0.486 nan 8.310 nan 0.000 0.506 188 E N 4.602 124.860 120.200 0.098 0.000 2.333 188 E HA -0.144 4.208 4.350 0.003 0.000 0.198 188 E C 1.497 178.103 176.600 0.011 0.000 1.007 188 E CA 0.978 57.405 56.400 0.046 0.000 0.845 188 E CB -0.351 29.369 29.700 0.034 0.000 0.766 188 E HN 0.768 nan 8.360 nan 0.000 0.507 189 L N 0.177 121.401 121.223 0.002 0.000 2.341 189 L HA 0.169 4.511 4.340 0.003 0.000 0.214 189 L C 1.136 177.987 176.870 -0.032 0.000 1.115 189 L CA 0.727 55.510 54.840 -0.094 0.000 0.820 189 L CB 0.139 41.992 42.059 -0.343 0.000 0.944 189 L HN 0.097 nan 8.230 nan 0.000 0.452 190 A N -1.412 121.440 122.820 0.054 0.000 3.005 190 A HA 0.470 4.792 4.320 0.003 0.000 0.308 190 A C 0.283 177.896 177.584 0.050 0.000 1.173 190 A CA -0.346 51.725 52.037 0.057 0.000 0.796 190 A CB 0.600 19.665 19.000 0.109 0.000 1.325 190 A HN -0.014 nan 8.150 nan 0.000 0.467 191 S N -0.040 115.671 115.700 0.017 0.000 2.512 191 S HA 0.035 4.507 4.470 0.003 0.000 0.216 191 S C 1.818 176.399 174.600 -0.032 0.000 1.006 191 S CA 0.725 58.928 58.200 0.005 0.000 0.915 191 S CB 0.249 63.459 63.200 0.017 0.000 0.824 191 S HN 0.498 nan 8.310 nan 0.000 0.497 192 V N 3.009 122.899 119.914 -0.040 0.000 2.219 192 V HA -0.255 3.867 4.120 0.003 0.000 0.248 192 V C 2.959 178.985 176.094 -0.113 0.000 1.053 192 V CA 2.567 64.830 62.300 -0.063 0.000 1.009 192 V CB -1.555 30.238 31.823 -0.050 0.000 0.636 192 V HN 0.721 nan 8.190 nan 0.000 0.445 193 T N -2.662 111.800 114.554 -0.153 0.000 2.833 193 T HA -0.255 4.097 4.350 0.003 0.000 0.269 193 T C 1.863 176.231 174.700 -0.554 0.000 1.054 193 T CA 1.775 63.678 62.100 -0.328 0.000 1.135 193 T CB -1.119 67.559 68.868 -0.318 0.000 0.869 193 T HN 0.468 nan 8.240 nan 0.000 0.466 194 C N 0.953 120.029 119.300 -0.373 0.000 2.429 194 C HA 0.165 4.627 4.460 0.003 0.000 0.277 194 C C 2.790 177.683 174.990 -0.161 0.000 1.262 194 C CA 0.261 59.109 59.018 -0.283 0.000 1.733 194 C CB -1.494 26.182 27.740 -0.108 0.000 2.010 194 C HN 0.558 nan 8.230 nan 0.000 0.483 195 L N 0.505 121.681 121.223 -0.078 0.000 2.141 195 L HA -0.112 4.230 4.340 0.003 0.000 0.209 195 L C 2.660 179.560 176.870 0.049 0.000 1.094 195 L CA 1.155 56.023 54.840 0.047 0.000 0.763 195 L CB -0.645 41.447 42.059 0.054 0.000 0.908 195 L HN 0.308 nan 8.230 nan 0.000 0.437 196 E N 0.070 120.221 120.200 -0.081 0.000 2.150 196 E HA -0.204 4.148 4.350 0.003 0.000 0.193 196 E C 2.115 178.658 176.600 -0.096 0.000 0.985 196 E CA 0.898 57.255 56.400 -0.072 0.000 0.814 196 E CB -0.296 29.342 29.700 -0.103 0.000 0.752 196 E HN 0.290 nan 8.360 nan 0.000 0.466 197 L N 0.814 121.922 121.223 -0.193 0.000 2.127 197 L HA -0.053 4.289 4.340 0.003 0.000 0.211 197 L C 2.039 178.761 176.870 -0.247 0.000 1.089 197 L CA 2.108 56.860 54.840 -0.146 0.000 0.757 197 L CB -0.861 41.127 42.059 -0.119 0.000 0.899 197 L HN 0.108 nan 8.230 nan 0.000 0.434 198 G N -1.055 107.534 108.800 -0.352 0.000 2.421 198 G HA2 -0.347 3.615 3.960 0.003 0.000 0.216 198 G HA3 -0.347 3.615 3.960 0.003 0.000 0.216 198 G C 1.480 175.784 174.900 -0.993 0.000 1.171 198 G CA 0.865 45.352 45.100 -1.022 0.000 0.775 198 G HN 0.463 nan 8.290 nan 0.000 0.543 199 E N 0.594 120.683 120.200 -0.185 0.000 2.077 199 E HA -0.057 4.295 4.350 0.003 0.000 0.193 199 E C 2.454 179.008 176.600 -0.077 0.000 0.989 199 E CA 0.730 57.163 56.400 0.055 0.000 0.800 199 E CB -0.371 29.468 29.700 0.232 0.000 0.746 199 E HN 0.521 nan 8.360 nan 0.000 0.452 200 I N -0.184 120.326 120.570 -0.099 0.000 2.208 200 I HA -0.363 3.809 4.170 0.003 0.000 0.245 200 I C 2.240 178.298 176.117 -0.098 0.000 1.097 200 I CA 0.972 62.230 61.300 -0.070 0.000 1.363 200 I CB -0.319 37.656 38.000 -0.042 0.000 1.051 200 I HN 0.278 nan 8.210 nan 0.000 0.413 201 C N 0.427 119.612 119.300 -0.191 0.000 2.425 201 C HA -0.163 4.299 4.460 0.003 0.000 0.277 201 C C 2.817 177.771 174.990 -0.060 0.000 1.280 201 C CA 0.777 59.712 59.018 -0.139 0.000 1.744 201 C CB -0.933 26.698 27.740 -0.182 0.000 1.989 201 C HN 0.438 nan 8.230 nan 0.000 0.491 202 K N 0.934 121.268 120.400 -0.111 0.000 2.025 202 K HA -0.156 4.166 4.320 0.003 0.000 0.207 202 K C 1.949 178.567 176.600 0.031 0.000 1.049 202 K CA 1.431 57.722 56.287 0.008 0.000 0.933 202 K CB -0.171 32.328 32.500 -0.003 0.000 0.714 202 K HN 0.529 nan 8.250 nan 0.000 0.438 203 E N -0.176 120.036 120.200 0.021 0.000 2.204 203 E HA -0.143 4.209 4.350 0.003 0.000 0.195 203 E C 1.525 178.153 176.600 0.047 0.000 0.990 203 E CA 0.901 57.324 56.400 0.038 0.000 0.821 203 E CB 0.242 29.961 29.700 0.032 0.000 0.750 203 E HN 0.080 nan 8.360 nan 0.000 0.477 204 V N -0.187 119.759 119.914 0.053 0.000 3.647 204 V HA 0.100 4.222 4.120 0.003 0.000 0.279 204 V C 1.121 177.325 176.094 0.182 0.000 1.314 204 V CA 0.777 63.135 62.300 0.096 0.000 1.125 204 V CB 0.286 32.163 31.823 0.091 0.000 0.907 204 V HN 0.466 nan 8.190 nan 0.000 0.434 205 G N 1.136 110.016 108.800 0.134 0.000 2.221 205 G HA2 -0.268 3.694 3.960 0.003 0.000 0.265 205 G HA3 -0.268 3.694 3.960 0.003 0.000 0.265 205 G C 0.032 175.010 174.900 0.131 0.000 1.041 205 G CA 0.481 45.669 45.100 0.145 0.000 0.807 205 G HN 0.472 nan 8.290 nan 0.000 0.502 206 L N 1.014 122.231 121.223 -0.009 0.000 2.578 206 L HA 0.407 4.749 4.340 0.003 0.000 0.279 206 L C -1.300 175.358 176.870 -0.353 0.000 1.227 206 L CA -0.771 53.833 54.840 -0.394 0.000 0.900 206 L CB 0.103 41.973 42.059 -0.315 0.000 1.144 206 L HN 0.044 nan 8.230 nan 0.000 0.496 207 P HA 0.022 nan 4.420 nan 0.000 0.264 207 P C -1.253 175.884 177.300 -0.272 0.000 1.183 207 P CA -0.030 62.912 63.100 -0.263 0.000 0.763 207 P CB 0.194 31.787 31.700 -0.178 0.000 0.807 208 R N 2.519 122.904 120.500 -0.191 0.000 2.585 208 R HA 0.334 4.676 4.340 0.003 0.000 0.275 208 R C 1.016 177.174 176.300 -0.236 0.000 1.018 208 R CA 0.214 56.181 56.100 -0.222 0.000 1.072 208 R CB -0.840 29.351 30.300 -0.181 0.000 0.953 208 R HN 0.734 nan 8.270 nan 0.000 0.419 209 G N 1.319 109.946 108.800 -0.289 0.000 2.176 209 G HA2 -0.306 3.656 3.960 0.003 0.000 0.253 209 G HA3 -0.306 3.656 3.960 0.003 0.000 0.253 209 G C 0.583 175.331 174.900 -0.254 0.000 0.979 209 G CA 0.179 45.129 45.100 -0.251 0.000 0.641 209 G HN 0.456 nan 8.290 nan 0.000 0.530 210 V N -0.399 119.309 119.914 -0.343 0.000 2.488 210 V HA 0.309 4.431 4.120 0.003 0.000 0.246 210 V C 1.075 176.955 176.094 -0.357 0.000 1.046 210 V CA 1.893 63.903 62.300 -0.484 0.000 1.053 210 V CB 0.119 31.365 31.823 -0.962 0.000 0.679 210 V HN 0.502 nan 8.190 nan 0.000 0.458 211 L N 1.155 122.230 121.223 -0.246 0.000 2.376 211 L HA 0.554 4.896 4.340 0.003 0.000 0.275 211 L C -1.012 175.850 176.870 -0.013 0.000 0.987 211 L CA -0.322 54.462 54.840 -0.093 0.000 0.828 211 L CB 1.398 43.438 42.059 -0.031 0.000 1.249 211 L HN 0.176 nan 8.230 nan 0.000 0.409 212 N N 5.497 124.180 118.700 -0.029 0.000 2.321 212 N HA 0.709 5.451 4.740 0.003 0.000 0.299 212 N C -1.289 174.256 175.510 0.059 0.000 1.048 212 N CA -0.395 52.634 53.050 -0.035 0.000 0.836 212 N CB 2.181 40.597 38.487 -0.118 0.000 1.269 212 N HN 0.484 nan 8.380 nan 0.000 0.486 213 I N 1.681 122.328 120.570 0.128 0.000 2.420 213 I HA 0.320 4.492 4.170 0.003 0.000 0.282 213 I C -0.959 175.225 176.117 0.112 0.000 1.019 213 I CA -0.846 60.530 61.300 0.127 0.000 1.130 213 I CB 1.484 39.576 38.000 0.153 0.000 1.262 213 I HN 0.162 nan 8.210 nan 0.000 0.454 214 V N 5.362 125.320 119.914 0.073 0.000 2.304 214 V HA 0.306 4.428 4.120 0.003 0.000 0.278 214 V C 0.442 176.572 176.094 0.061 0.000 1.018 214 V CA -0.459 61.877 62.300 0.061 0.000 0.814 214 V CB 1.638 33.481 31.823 0.034 0.000 1.021 214 V HN 0.831 nan 8.190 nan 0.000 0.440 215 T N 1.783 116.376 114.554 0.066 0.000 2.918 215 T HA 0.911 5.262 4.350 0.003 0.000 0.283 215 T C 0.298 175.019 174.700 0.035 0.000 1.001 215 T CA 0.147 62.278 62.100 0.053 0.000 1.041 215 T CB 2.002 70.902 68.868 0.053 0.000 1.028 215 T HN 1.300 nan 8.240 nan 0.000 0.511 216 G N 0.572 109.388 108.800 0.027 0.000 2.356 216 G HA2 0.370 4.332 3.960 0.003 0.000 0.288 216 G HA3 0.370 4.332 3.960 0.003 0.000 0.288 216 G C -1.884 173.014 174.900 -0.003 0.000 1.302 216 G CA -1.154 43.949 45.100 0.004 0.000 0.887 216 G HN 0.771 nan 8.290 nan 0.000 0.521 217 L N 1.930 123.123 121.223 -0.051 0.000 2.397 217 L HA 0.475 4.817 4.340 0.003 0.000 0.271 217 L C 2.153 178.979 176.870 -0.073 0.000 1.148 217 L CA 0.977 55.776 54.840 -0.068 0.000 0.825 217 L CB 0.653 42.609 42.059 -0.171 0.000 1.117 217 L HN 1.053 nan 8.230 nan 0.000 0.456 218 G N 2.705 111.526 108.800 0.035 0.000 2.476 218 G HA2 -0.290 3.672 3.960 0.003 0.000 0.218 218 G HA3 -0.290 3.672 3.960 0.003 0.000 0.218 218 G C 1.330 176.261 174.900 0.052 0.000 1.164 218 G CA 1.157 46.305 45.100 0.079 0.000 0.768 218 G HN 0.910 nan 8.290 nan 0.000 0.560 219 H N -0.059 119.036 119.070 0.042 0.000 2.524 219 H HA 0.212 4.770 4.556 0.003 0.000 0.282 219 H C 1.762 177.105 175.328 0.026 0.000 1.016 219 H CA 1.268 57.333 56.048 0.028 0.000 1.270 219 H CB 0.046 29.820 29.762 0.021 0.000 1.394 219 H HN 0.481 nan 8.280 nan 0.000 0.568 220 E N 0.873 120.799 120.200 -0.457 0.000 2.068 220 E HA 0.213 4.565 4.350 0.003 0.000 0.201 220 E C 2.527 179.066 176.600 -0.100 0.000 0.947 220 E CA 0.461 56.702 56.400 -0.265 0.000 0.909 220 E CB 0.037 29.541 29.700 -0.327 0.000 1.015 220 E HN 0.350 nan 8.360 nan 0.000 0.484 221 A N 1.117 123.887 122.820 -0.083 0.000 1.902 221 A HA -0.100 4.222 4.320 0.003 0.000 0.217 221 A C 2.266 179.858 177.584 0.013 0.000 1.181 221 A CA 1.960 53.986 52.037 -0.018 0.000 0.623 221 A CB -1.222 17.776 19.000 -0.005 0.000 0.818 221 A HN 0.389 nan 8.150 nan 0.000 0.443 222 G N -0.526 108.285 108.800 0.019 0.000 2.414 222 G HA2 0.020 3.982 3.960 0.003 0.000 0.215 222 G HA3 0.020 3.982 3.960 0.003 0.000 0.215 222 G C 1.797 176.722 174.900 0.042 0.000 1.188 222 G CA 1.490 46.622 45.100 0.053 0.000 0.783 222 G HN 0.801 nan 8.290 nan 0.000 0.537 223 A N 0.726 123.564 122.820 0.030 0.000 1.908 223 A HA -0.018 4.304 4.320 0.003 0.000 0.218 223 A C 2.703 180.306 177.584 0.033 0.000 1.181 223 A CA 2.350 54.403 52.037 0.027 0.000 0.627 223 A CB -0.700 18.322 19.000 0.037 0.000 0.818 223 A HN 0.317 nan 8.150 nan 0.000 0.445 224 S N -0.652 115.068 115.700 0.033 0.000 2.370 224 S HA -0.149 4.323 4.470 0.003 0.000 0.226 224 S C 1.865 176.517 174.600 0.087 0.000 1.033 224 S CA 1.529 59.759 58.200 0.050 0.000 1.011 224 S CB -0.400 62.825 63.200 0.043 0.000 0.852 224 S HN 0.517 nan 8.310 nan 0.000 0.457 225 L N 1.937 123.205 121.223 0.075 0.000 2.023 225 L HA 0.142 4.484 4.340 0.003 0.000 0.205 225 L C 2.372 179.298 176.870 0.094 0.000 1.073 225 L CA 1.941 56.832 54.840 0.085 0.000 0.745 225 L CB -1.252 40.844 42.059 0.061 0.000 0.900 225 L HN 0.217 nan 8.230 nan 0.000 0.435 226 A N -1.272 121.588 122.820 0.067 0.000 1.940 226 A HA -0.205 4.117 4.320 0.003 0.000 0.219 226 A C 2.343 179.960 177.584 0.055 0.000 1.176 226 A CA 2.136 54.203 52.037 0.050 0.000 0.631 226 A CB -0.935 18.069 19.000 0.006 0.000 0.814 226 A HN 0.563 nan 8.150 nan 0.000 0.446 227 S N -1.126 114.608 115.700 0.056 0.000 2.461 227 S HA -0.022 4.450 4.470 0.003 0.000 0.228 227 S C 0.906 175.538 174.600 0.053 0.000 1.005 227 S CA -0.264 57.960 58.200 0.040 0.000 0.942 227 S CB -0.328 62.883 63.200 0.018 0.000 0.776 227 S HN 0.694 nan 8.310 nan 0.000 0.514 228 H N 3.659 122.737 119.070 0.013 0.000 3.070 228 H HA 0.030 4.588 4.556 0.003 0.000 0.313 228 H C -1.716 173.621 175.328 0.015 0.000 0.997 228 H CA -1.069 54.987 56.048 0.013 0.000 1.438 228 H CB 1.072 30.843 29.762 0.014 0.000 1.455 228 H HN 0.087 nan 8.280 nan 0.000 0.575 229 P HA -0.095 nan 4.420 nan 0.000 0.225 229 P C 0.416 177.815 177.300 0.165 0.000 1.148 229 P CA 0.871 63.997 63.100 0.043 0.000 0.779 229 P CB 0.556 32.221 31.700 -0.058 0.000 0.780 230 D N -0.874 119.769 120.400 0.405 0.000 2.367 230 D HA 0.044 4.686 4.640 0.003 0.000 0.207 230 D C 0.546 176.917 176.300 0.118 0.000 1.034 230 D CA 0.087 54.225 54.000 0.229 0.000 0.861 230 D CB 0.217 41.146 40.800 0.214 0.000 0.943 230 D HN 0.001 nan 8.370 nan 0.000 0.515 231 V N 2.311 122.302 119.914 0.128 0.000 2.585 231 V HA -0.042 4.080 4.120 0.003 0.000 0.296 231 V C 1.218 177.361 176.094 0.081 0.000 1.035 231 V CA 0.452 62.795 62.300 0.072 0.000 1.084 231 V CB 1.355 33.224 31.823 0.078 0.000 0.953 231 V HN 0.029 nan 8.190 nan 0.000 0.483 232 D N 2.861 123.306 120.400 0.076 0.000 2.327 232 D HA 0.107 4.749 4.640 0.003 0.000 0.205 232 D C 0.689 177.040 176.300 0.085 0.000 0.989 232 D CA 0.771 54.817 54.000 0.077 0.000 0.873 232 D CB 0.567 41.412 40.800 0.076 0.000 0.955 232 D HN 0.344 nan 8.370 nan 0.000 0.515 233 K N 0.622 121.083 120.400 0.101 0.000 2.557 233 K HA 0.370 4.692 4.320 0.003 0.000 0.257 233 K C -1.582 175.096 176.600 0.131 0.000 0.933 233 K CA -0.464 55.890 56.287 0.112 0.000 0.820 233 K CB 2.243 34.820 32.500 0.129 0.000 1.330 233 K HN -0.136 nan 8.250 nan 0.000 0.432 234 I N 1.392 122.035 120.570 0.123 0.000 2.377 234 I HA 0.241 4.413 4.170 0.003 0.000 0.293 234 I C 0.184 176.401 176.117 0.166 0.000 0.987 234 I CA -0.576 60.808 61.300 0.139 0.000 1.185 234 I CB 1.968 40.030 38.000 0.105 0.000 1.341 234 I HN 0.302 nan 8.210 nan 0.000 0.455 235 S N 6.496 122.326 115.700 0.216 0.000 2.498 235 S HA 0.619 5.091 4.470 0.003 0.000 0.317 235 S C -1.129 173.633 174.600 0.270 0.000 1.090 235 S CA -0.404 57.935 58.200 0.232 0.000 1.089 235 S CB 0.466 63.854 63.200 0.314 0.000 0.997 235 S HN 0.388 nan 8.310 nan 0.000 0.470 236 F N 3.513 123.497 119.950 0.057 0.000 2.556 236 F HA 0.658 5.186 4.527 0.003 0.000 0.314 236 F C -0.556 175.260 175.800 0.028 0.000 1.106 236 F CA -0.206 57.815 58.000 0.035 0.000 0.911 236 F CB 2.215 41.219 39.000 0.008 0.000 1.190 236 F HN 0.414 nan 8.300 nan 0.000 0.448 237 T N 4.280 118.343 114.554 -0.819 0.000 2.949 237 T HA 0.762 5.114 4.350 0.003 0.000 0.300 237 T C -0.272 173.799 174.700 -1.049 0.000 0.988 237 T CA -0.325 61.374 62.100 -0.669 0.000 0.993 237 T CB 1.125 69.834 68.868 -0.265 0.000 0.984 237 T HN 1.105 nan 8.240 nan 0.000 0.442 238 G N 1.862 110.166 108.800 -0.827 0.000 2.392 238 G HA2 0.483 4.444 3.960 0.003 0.000 0.260 238 G HA3 0.483 4.444 3.960 0.003 0.000 0.260 238 G C -0.576 174.248 174.900 -0.126 0.000 1.226 238 G CA -0.237 44.551 45.100 -0.521 0.000 0.913 238 G HN 0.922 nan 8.290 nan 0.000 0.483 239 S N 0.015 115.739 115.700 0.040 0.000 2.593 239 S HA 0.467 4.939 4.470 0.003 0.000 0.269 239 S C 1.457 176.151 174.600 0.156 0.000 1.334 239 S CA 0.892 59.117 58.200 0.042 0.000 1.015 239 S CB 1.502 64.724 63.200 0.037 0.000 0.912 239 S HN 0.936 nan 8.310 nan 0.000 0.541 240 S N 1.901 117.671 115.700 0.117 0.000 2.353 240 S HA -0.127 4.345 4.470 0.003 0.000 0.222 240 S C 2.332 176.979 174.600 0.079 0.000 1.035 240 S CA 1.432 59.709 58.200 0.127 0.000 1.025 240 S CB -1.182 62.109 63.200 0.152 0.000 0.902 240 S HN 0.949 nan 8.310 nan 0.000 0.440 241 A N 0.932 123.789 122.820 0.062 0.000 1.883 241 A HA -0.153 4.169 4.320 0.003 0.000 0.217 241 A C 2.336 179.924 177.584 0.006 0.000 1.186 241 A CA 2.296 54.351 52.037 0.030 0.000 0.624 241 A CB -1.400 17.619 19.000 0.031 0.000 0.822 241 A HN 0.534 nan 8.150 nan 0.000 0.444 242 T N -0.356 114.215 114.554 0.028 0.000 2.777 242 T HA 0.009 4.361 4.350 0.003 0.000 0.266 242 T C 2.003 176.538 174.700 -0.276 0.000 1.040 242 T CA 1.273 63.337 62.100 -0.059 0.000 1.141 242 T CB -0.713 68.204 68.868 0.081 0.000 0.868 242 T HN 0.590 nan 8.240 nan 0.000 0.444 243 G N 0.871 109.579 108.800 -0.153 0.000 2.476 243 G HA2 -0.258 3.704 3.960 0.003 0.000 0.218 243 G HA3 -0.258 3.704 3.960 0.003 0.000 0.218 243 G C 1.870 176.675 174.900 -0.159 0.000 1.164 243 G CA 1.290 46.265 45.100 -0.207 0.000 0.768 243 G HN 0.506 nan 8.290 nan 0.000 0.560 244 S N 0.031 115.690 115.700 -0.069 0.000 2.370 244 S HA -0.090 4.382 4.470 0.003 0.000 0.226 244 S C 2.352 176.915 174.600 -0.062 0.000 1.033 244 S CA 1.752 59.927 58.200 -0.041 0.000 1.011 244 S CB -0.246 62.943 63.200 -0.018 0.000 0.852 244 S HN 0.453 nan 8.310 nan 0.000 0.457 245 K N 0.444 120.789 120.400 -0.091 0.000 2.097 245 K HA -0.005 4.317 4.320 0.003 0.000 0.205 245 K C 1.957 178.487 176.600 -0.116 0.000 1.050 245 K CA 1.002 57.237 56.287 -0.087 0.000 0.938 245 K CB -0.212 32.242 32.500 -0.076 0.000 0.718 245 K HN 0.365 nan 8.250 nan 0.000 0.442 246 I N 1.334 121.777 120.570 -0.212 0.000 2.179 246 I HA -0.253 3.919 4.170 0.003 0.000 0.242 246 I C 2.452 178.507 176.117 -0.104 0.000 1.088 246 I CA 1.421 62.587 61.300 -0.223 0.000 1.357 246 I CB -0.760 36.964 38.000 -0.460 0.000 1.051 246 I HN 0.255 nan 8.210 nan 0.000 0.409 247 M N 0.174 119.728 119.600 -0.075 0.000 2.159 247 M HA -0.201 4.281 4.480 0.003 0.000 0.263 247 M C 2.195 178.500 176.300 0.008 0.000 1.063 247 M CA 1.706 57.011 55.300 0.008 0.000 1.110 247 M CB -0.178 32.459 32.600 0.061 0.000 1.374 247 M HN 0.160 nan 8.290 nan 0.000 0.411 248 T N 0.069 114.616 114.554 -0.013 0.000 2.788 248 T HA -0.127 4.225 4.350 0.003 0.000 0.268 248 T C 1.557 176.252 174.700 -0.008 0.000 1.044 248 T CA 1.994 64.089 62.100 -0.009 0.000 1.139 248 T CB -0.363 68.496 68.868 -0.016 0.000 0.867 248 T HN 0.483 nan 8.240 nan 0.000 0.454 249 T N 1.715 116.259 114.554 -0.017 0.000 2.812 249 T HA 0.107 4.459 4.350 0.003 0.000 0.264 249 T C 2.409 177.111 174.700 0.004 0.000 1.042 249 T CA 0.951 63.045 62.100 -0.009 0.000 1.140 249 T CB -0.418 68.440 68.868 -0.017 0.000 0.870 249 T HN 0.400 nan 8.240 nan 0.000 0.445 250 A N 1.500 124.325 122.820 0.009 0.000 1.969 250 A HA 0.213 4.535 4.320 0.003 0.000 0.218 250 A C 2.623 180.222 177.584 0.026 0.000 1.169 250 A CA 1.636 53.689 52.037 0.026 0.000 0.635 250 A CB -1.005 18.020 19.000 0.040 0.000 0.810 250 A HN 0.485 nan 8.150 nan 0.000 0.445 251 A N -0.545 122.287 122.820 0.021 0.000 1.940 251 A HA -0.267 4.055 4.320 0.003 0.000 0.219 251 A C 2.075 179.665 177.584 0.010 0.000 1.176 251 A CA 1.737 53.783 52.037 0.016 0.000 0.631 251 A CB -0.626 18.381 19.000 0.012 0.000 0.814 251 A HN 0.657 nan 8.150 nan 0.000 0.446 252 Q N -1.632 118.172 119.800 0.007 0.000 2.133 252 Q HA -0.167 4.175 4.340 0.003 0.000 0.208 252 Q C 0.638 176.641 176.000 0.005 0.000 0.991 252 Q CA 1.253 57.058 55.803 0.004 0.000 0.867 252 Q CB -0.131 28.608 28.738 0.001 0.000 0.911 252 Q HN 0.486 nan 8.270 nan 0.000 0.417 253 L N -0.958 120.272 121.223 0.011 0.000 3.014 253 L HA 0.125 4.467 4.340 0.003 0.000 0.263 253 L C 0.004 176.885 176.870 0.019 0.000 1.207 253 L CA -0.084 54.764 54.840 0.014 0.000 1.017 253 L CB 0.974 43.044 42.059 0.018 0.000 1.360 253 L HN -0.115 nan 8.230 nan 0.000 0.560 254 V N 0.283 120.208 119.914 0.018 0.000 5.616 254 V HA -0.298 3.824 4.120 0.003 0.000 0.301 254 V C 0.821 176.932 176.094 0.028 0.000 0.564 254 V CA 0.789 63.100 62.300 0.019 0.000 0.653 254 V CB -1.865 29.965 31.823 0.011 0.000 0.372 254 V HN 0.444 nan 8.190 nan 0.000 1.029 255 K N 2.040 122.463 120.400 0.038 0.000 2.249 255 K HA 0.428 4.750 4.320 0.003 0.000 0.280 255 K C -1.879 174.757 176.600 0.060 0.000 1.033 255 K CA -1.428 54.889 56.287 0.050 0.000 0.946 255 K CB 0.739 33.273 32.500 0.057 0.000 1.005 255 K HN 0.275 nan 8.250 nan 0.000 0.469 256 P HA 0.178 nan 4.420 nan 0.000 0.272 256 P C -0.531 176.832 177.300 0.106 0.000 1.230 256 P CA -0.394 62.754 63.100 0.080 0.000 0.788 256 P CB 0.800 32.538 31.700 0.063 0.000 0.949 257 V N 0.904 120.912 119.914 0.156 0.000 2.932 257 V HA 0.431 4.553 4.120 0.003 0.000 0.307 257 V C -0.395 175.826 176.094 0.212 0.000 1.147 257 V CA -0.461 61.939 62.300 0.167 0.000 0.951 257 V CB 2.408 34.331 31.823 0.166 0.000 1.031 257 V HN 0.828 nan 8.190 nan 0.000 0.426 258 S N 5.043 120.804 115.700 0.102 0.000 2.526 258 S HA 0.913 5.385 4.470 0.003 0.000 0.293 258 S C -1.290 173.276 174.600 -0.057 0.000 1.092 258 S CA -0.723 57.491 58.200 0.023 0.000 0.980 258 S CB 1.685 64.909 63.200 0.040 0.000 1.048 258 S HN 0.554 nan 8.310 nan 0.000 0.483 259 L N 1.949 123.019 121.223 -0.255 0.000 2.438 259 L HA 0.576 4.918 4.340 0.003 0.000 0.270 259 L C -0.401 176.409 176.870 -0.100 0.000 0.972 259 L CA -0.429 54.320 54.840 -0.152 0.000 0.831 259 L CB 2.082 43.954 42.059 -0.311 0.000 1.273 259 L HN 0.803 nan 8.230 nan 0.000 0.405 260 E N 4.477 124.679 120.200 0.004 0.000 2.114 260 E HA 0.554 4.906 4.350 0.003 0.000 0.266 260 E C -1.145 175.457 176.600 0.004 0.000 0.896 260 E CA -0.393 56.027 56.400 0.033 0.000 0.750 260 E CB 1.124 30.910 29.700 0.144 0.000 1.121 260 E HN 0.535 nan 8.360 nan 0.000 0.413 261 L N 2.219 123.459 121.223 0.028 0.000 2.693 261 L HA 0.606 4.948 4.340 0.003 0.000 0.253 261 L C 1.322 178.196 176.870 0.006 0.000 1.155 261 L CA -0.981 53.887 54.840 0.047 0.000 1.026 261 L CB 0.134 42.264 42.059 0.119 0.000 1.817 261 L HN 0.566 nan 8.230 nan 0.000 0.556 262 G N -1.374 107.418 108.800 -0.013 0.000 2.529 262 G HA2 0.463 4.425 3.960 0.003 0.000 0.277 262 G HA3 0.463 4.425 3.960 0.003 0.000 0.277 262 G C -0.340 174.330 174.900 -0.384 0.000 1.383 262 G CA 0.364 45.342 45.100 -0.203 0.000 1.050 262 G HN 0.841 nan 8.290 nan 0.000 0.526 263 G N -2.227 106.149 108.800 -0.708 0.000 2.608 263 G HA2 0.501 4.463 3.960 0.003 0.000 0.291 263 G HA3 0.501 4.463 3.960 0.003 0.000 0.291 263 G C -1.475 172.986 174.900 -0.731 0.000 1.425 263 G CA -0.579 44.078 45.100 -0.738 0.000 0.787 263 G HN 0.589 nan 8.290 nan 0.000 0.484 264 K N 0.599 120.765 120.400 -0.391 0.000 3.050 264 K HA 0.489 4.811 4.320 0.003 0.000 0.185 264 K C -0.289 176.223 176.600 -0.146 0.000 1.147 264 K CA -0.298 55.863 56.287 -0.210 0.000 0.916 264 K CB 0.443 32.883 32.500 -0.100 0.000 1.119 264 K HN 0.428 nan 8.250 nan 0.000 0.605 265 S N 3.595 119.235 115.700 -0.101 0.000 2.548 265 S HA 0.370 4.842 4.470 0.003 0.000 0.277 265 S C -2.416 172.150 174.600 -0.058 0.000 1.315 265 S CA -0.853 57.319 58.200 -0.047 0.000 1.050 265 S CB 0.724 63.947 63.200 0.038 0.000 0.918 265 S HN 0.412 nan 8.310 nan 0.000 0.497 266 P HA 0.449 nan 4.420 nan 0.000 0.292 266 P C -0.982 176.330 177.300 0.021 0.000 1.283 266 P CA -0.649 62.426 63.100 -0.043 0.000 0.835 266 P CB 0.993 32.661 31.700 -0.054 0.000 1.017 267 I N 2.912 123.503 120.570 0.035 0.000 2.382 267 I HA 0.282 4.454 4.170 0.003 0.000 0.286 267 I C -1.083 175.069 176.117 0.058 0.000 1.002 267 I CA -1.058 60.278 61.300 0.061 0.000 1.135 267 I CB 1.321 39.366 38.000 0.075 0.000 1.288 267 I HN -0.032 nan 8.210 nan 0.000 0.448 268 V N 8.133 128.067 119.914 0.034 0.000 2.350 268 V HA 0.322 4.444 4.120 0.003 0.000 0.276 268 V C -0.107 175.999 176.094 0.020 0.000 1.028 268 V CA -0.532 61.756 62.300 -0.020 0.000 0.860 268 V CB 1.338 33.087 31.823 -0.123 0.000 0.990 268 V HN 0.462 nan 8.190 nan 0.000 0.453 269 V N 6.334 126.262 119.914 0.024 0.000 2.370 269 V HA 0.475 4.597 4.120 0.003 0.000 0.283 269 V C -0.190 175.908 176.094 0.007 0.000 1.023 269 V CA -0.392 61.898 62.300 -0.017 0.000 0.857 269 V CB 1.151 32.839 31.823 -0.225 0.000 0.985 269 V HN 0.614 nan 8.190 nan 0.000 0.443 270 F N 2.811 122.817 119.950 0.093 0.000 2.375 270 F HA 0.326 4.855 4.527 0.003 0.000 0.317 270 F C 1.764 177.519 175.800 -0.074 0.000 1.124 270 F CA -0.307 57.761 58.000 0.113 0.000 1.050 270 F CB 0.831 39.891 39.000 0.099 0.000 1.314 270 F HN 0.624 nan 8.300 nan 0.000 0.511 271 E N 0.794 121.021 120.200 0.044 0.000 2.152 271 E HA -0.170 4.182 4.350 0.003 0.000 0.192 271 E C 0.027 176.597 176.600 -0.051 0.000 0.983 271 E CA 1.024 57.352 56.400 -0.121 0.000 0.818 271 E CB -0.925 28.566 29.700 -0.348 0.000 0.758 271 E HN 0.634 nan 8.360 nan 0.000 0.467 272 D N 1.736 122.129 120.400 -0.011 0.000 2.545 272 D HA 0.239 4.881 4.640 0.003 0.000 0.227 272 D C -0.444 175.857 176.300 0.001 0.000 1.150 272 D CA -0.482 53.509 54.000 -0.015 0.000 1.046 272 D CB 0.467 41.250 40.800 -0.029 0.000 1.098 272 D HN -0.068 nan 8.370 nan 0.000 0.502 273 V N 1.167 121.079 119.914 -0.002 0.000 2.891 273 V HA 0.103 4.225 4.120 0.003 0.000 0.304 273 V C -0.985 175.124 176.094 0.024 0.000 1.171 273 V CA -1.061 61.242 62.300 0.004 0.000 0.943 273 V CB 2.469 34.276 31.823 -0.028 0.000 1.037 273 V HN 0.381 nan 8.190 nan 0.000 0.427 274 D N 4.137 124.567 120.400 0.051 0.000 2.348 274 D HA 0.120 4.762 4.640 0.003 0.000 0.259 274 D C 0.953 177.325 176.300 0.120 0.000 1.296 274 D CA -0.030 54.020 54.000 0.083 0.000 0.931 274 D CB 1.339 42.191 40.800 0.087 0.000 1.067 274 D HN 0.377 nan 8.370 nan 0.000 0.503 275 L N 3.635 124.947 121.223 0.148 0.000 2.079 275 L HA -0.181 4.161 4.340 0.003 0.000 0.210 275 L C 2.096 179.156 176.870 0.318 0.000 1.081 275 L CA 1.353 56.351 54.840 0.263 0.000 0.752 275 L CB -0.234 42.008 42.059 0.304 0.000 0.896 275 L HN 0.426 nan 8.230 nan 0.000 0.433 276 D N -0.586 119.966 120.400 0.254 0.000 2.149 276 D HA -0.138 4.504 4.640 0.003 0.000 0.201 276 D C 2.121 178.496 176.300 0.125 0.000 0.972 276 D CA 0.933 55.108 54.000 0.293 0.000 0.835 276 D CB 0.098 41.109 40.800 0.352 0.000 0.966 276 D HN 0.382 nan 8.370 nan 0.000 0.476 277 K N 0.755 121.226 120.400 0.119 0.000 2.001 277 K HA -0.093 4.229 4.320 0.003 0.000 0.208 277 K C 2.276 178.922 176.600 0.076 0.000 1.048 277 K CA 0.825 57.150 56.287 0.063 0.000 0.932 277 K CB -0.242 32.333 32.500 0.125 0.000 0.715 277 K HN 0.032 nan 8.250 nan 0.000 0.437 278 V N 0.286 120.311 119.914 0.184 0.000 2.809 278 V HA -0.054 4.068 4.120 0.003 0.000 0.256 278 V C 2.053 178.292 176.094 0.241 0.000 1.080 278 V CA 1.689 64.149 62.300 0.267 0.000 1.102 278 V CB -0.310 31.623 31.823 0.183 0.000 0.705 278 V HN 0.259 nan 8.190 nan 0.000 0.475 279 A N 0.190 123.100 122.820 0.150 0.000 1.883 279 A HA -0.294 4.028 4.320 0.003 0.000 0.217 279 A C 2.272 179.464 177.584 -0.652 0.000 1.186 279 A CA 2.232 54.125 52.037 -0.240 0.000 0.624 279 A CB -0.781 17.980 19.000 -0.400 0.000 0.822 279 A HN 0.744 nan 8.150 nan 0.000 0.444 280 E N -1.457 118.150 120.200 -0.988 0.000 2.077 280 E HA -0.228 4.124 4.350 0.003 0.000 0.193 280 E C 1.829 178.167 176.600 -0.437 0.000 0.989 280 E CA 1.198 56.987 56.400 -1.018 0.000 0.800 280 E CB -0.214 28.820 29.700 -1.110 0.000 0.746 280 E HN 0.818 nan 8.360 nan 0.000 0.452 281 W N 0.509 121.659 121.300 -0.250 0.000 2.358 281 W HA -0.183 4.479 4.660 0.003 0.000 0.303 281 W C 2.873 179.353 176.519 -0.064 0.000 1.208 281 W CA 1.708 58.971 57.345 -0.137 0.000 1.274 281 W CB -0.427 28.962 29.460 -0.118 0.000 1.138 281 W HN 0.218 nan 8.180 nan 0.000 0.515 282 T N -2.237 112.417 114.554 0.167 0.000 2.857 282 T HA -0.152 4.199 4.350 0.003 0.000 0.266 282 T C 1.730 176.374 174.700 -0.093 0.000 1.048 282 T CA 1.544 63.686 62.100 0.070 0.000 1.139 282 T CB -0.794 68.154 68.868 0.134 0.000 0.874 282 T HN -0.058 nan 8.240 nan 0.000 0.455 283 V N 0.477 120.325 119.914 -0.109 0.000 2.343 283 V HA 0.010 4.132 4.120 0.003 0.000 0.247 283 V C 2.174 178.267 176.094 -0.001 0.000 1.051 283 V CA 1.938 64.171 62.300 -0.112 0.000 1.036 283 V CB -0.872 31.026 31.823 0.126 0.000 0.654 283 V HN 0.566 nan 8.190 nan 0.000 0.451 284 F N 1.524 121.424 119.950 -0.083 0.000 2.102 284 F HA -0.077 4.452 4.527 0.003 0.000 0.298 284 F C 2.252 178.032 175.800 -0.034 0.000 1.105 284 F CA 1.804 59.775 58.000 -0.049 0.000 1.239 284 F CB -0.684 38.206 39.000 -0.183 0.000 0.991 284 F HN 0.192 nan 8.300 nan 0.000 0.474 285 G N -1.455 107.400 108.800 0.091 0.000 2.479 285 G HA2 -0.317 3.645 3.960 0.003 0.000 0.220 285 G HA3 -0.317 3.645 3.960 0.003 0.000 0.220 285 G C 1.557 176.378 174.900 -0.132 0.000 1.115 285 G CA 1.117 46.196 45.100 -0.035 0.000 0.757 285 G HN 0.551 nan 8.290 nan 0.000 0.560 286 C N -1.771 117.378 119.300 -0.252 0.000 2.937 286 C HA 0.502 4.964 4.460 0.003 0.000 0.426 286 C C 2.101 176.952 174.990 -0.231 0.000 1.321 286 C CA -0.161 58.657 59.018 -0.332 0.000 2.082 286 C CB -0.502 26.911 27.740 -0.545 0.000 2.834 286 C HN 0.366 nan 8.230 nan 0.000 0.593 287 F N -0.699 119.249 119.950 -0.004 0.000 2.717 287 F HA 0.283 4.812 4.527 0.003 0.000 0.295 287 F C 0.928 176.703 175.800 -0.041 0.000 1.117 287 F CA -0.567 57.428 58.000 -0.008 0.000 1.361 287 F CB -0.130 38.893 39.000 0.038 0.000 1.112 287 F HN 0.065 nan 8.300 nan 0.000 0.594 288 F N 2.010 121.866 119.950 -0.157 0.000 2.595 288 F HA -0.020 4.508 4.527 0.003 0.000 0.359 288 F C 1.421 177.086 175.800 -0.226 0.000 1.147 288 F CA 0.666 58.468 58.000 -0.330 0.000 1.341 288 F CB 0.402 38.884 39.000 -0.864 0.000 1.104 288 F HN 0.051 nan 8.300 nan 0.000 0.603 289 T N 3.982 118.018 114.554 -0.863 0.000 4.040 289 T HA -0.293 4.059 4.350 0.003 0.000 0.341 289 T C -0.020 174.458 174.700 -0.368 0.000 0.758 289 T CA 0.760 62.463 62.100 -0.662 0.000 1.893 289 T CB -1.975 66.499 68.868 -0.657 0.000 1.886 289 T HN 0.838 nan 8.240 nan 0.000 0.833 290 N N -1.399 117.161 118.700 -0.233 0.000 2.725 290 N HA -0.238 4.504 4.740 0.003 0.000 0.249 290 N C 1.140 176.598 175.510 -0.086 0.000 1.103 290 N CA 1.995 54.980 53.050 -0.108 0.000 0.707 290 N CB -1.697 36.726 38.487 -0.108 0.000 1.043 290 N HN 1.667 nan 8.380 nan 0.000 0.553 291 G N -0.775 107.974 108.800 -0.085 0.000 2.184 291 G HA2 -0.386 3.576 3.960 0.003 0.000 0.264 291 G HA3 -0.386 3.576 3.960 0.003 0.000 0.264 291 G C 0.191 174.875 174.900 -0.361 0.000 0.975 291 G CA 0.656 45.698 45.100 -0.096 0.000 0.642 291 G HN 0.567 nan 8.290 nan 0.000 0.536 292 Q N 0.192 119.661 119.800 -0.552 0.000 2.620 292 Q HA 0.510 4.852 4.340 0.003 0.000 0.333 292 Q C 0.376 175.757 176.000 -1.033 0.000 1.017 292 Q CA -0.004 55.040 55.803 -1.265 0.000 0.962 292 Q CB 0.135 28.426 28.738 -0.745 0.000 1.297 292 Q HN 0.656 nan 8.270 nan 0.000 0.419 293 I N -1.110 119.131 120.570 -0.549 0.000 2.359 293 I HA 0.105 4.277 4.170 0.003 0.000 0.294 293 I C 0.944 177.143 176.117 0.138 0.000 0.987 293 I CA -0.779 60.482 61.300 -0.065 0.000 1.225 293 I CB 1.497 39.539 38.000 0.071 0.000 1.366 293 I HN 0.300 nan 8.210 nan 0.000 0.466 294 C N 2.033 121.519 119.300 0.310 0.000 2.413 294 C HA -0.145 4.317 4.460 0.003 0.000 0.276 294 C C 2.473 177.595 174.990 0.219 0.000 1.248 294 C CA 1.580 60.785 59.018 0.313 0.000 1.742 294 C CB -0.950 26.948 27.740 0.262 0.000 2.017 294 C HN 0.940 nan 8.230 nan 0.000 0.481 295 S N 0.566 116.443 115.700 0.296 0.000 2.614 295 S HA 0.478 4.950 4.470 0.003 0.000 0.230 295 S C 0.515 175.241 174.600 0.210 0.000 0.952 295 S CA 0.275 58.640 58.200 0.274 0.000 0.949 295 S CB -0.375 63.123 63.200 0.497 0.000 0.786 295 S HN 0.549 nan 8.310 nan 0.000 0.478 296 A N 2.776 125.669 122.820 0.121 0.000 2.566 296 A HA 0.358 4.680 4.320 0.003 0.000 0.245 296 A C 0.953 178.548 177.584 0.018 0.000 1.056 296 A CA 0.283 52.342 52.037 0.037 0.000 0.757 296 A CB -0.416 18.578 19.000 -0.009 0.000 0.979 296 A HN 0.670 nan 8.150 nan 0.000 0.508 297 T N 1.184 115.739 114.554 0.003 0.000 3.455 297 T HA 0.322 4.674 4.350 0.003 0.000 0.286 297 T C 0.921 175.593 174.700 -0.048 0.000 1.157 297 T CA 0.055 62.154 62.100 -0.000 0.000 1.090 297 T CB -0.285 68.599 68.868 0.026 0.000 1.112 297 T HN 0.919 nan 8.240 nan 0.000 0.779 298 S N 1.830 117.495 115.700 -0.058 0.000 2.575 298 S HA 0.200 4.672 4.470 0.003 0.000 0.215 298 S C 0.673 175.241 174.600 -0.055 0.000 0.966 298 S CA -0.741 57.423 58.200 -0.060 0.000 0.911 298 S CB -0.004 63.172 63.200 -0.040 0.000 0.780 298 S HN 0.624 nan 8.310 nan 0.000 0.514 299 R N 1.366 121.814 120.500 -0.086 0.000 2.320 299 R HA 0.415 4.757 4.340 0.003 0.000 0.319 299 R C -1.226 175.097 176.300 0.038 0.000 0.969 299 R CA -0.373 55.676 56.100 -0.085 0.000 0.857 299 R CB 1.267 31.315 30.300 -0.419 0.000 1.160 299 R HN 0.308 nan 8.270 nan 0.000 0.491 300 L N 5.523 126.824 121.223 0.130 0.000 2.281 300 L HA 0.396 4.738 4.340 0.003 0.000 0.285 300 L C -0.604 176.405 176.870 0.233 0.000 1.074 300 L CA -0.309 54.633 54.840 0.170 0.000 0.817 300 L CB 0.663 42.834 42.059 0.187 0.000 1.168 300 L HN 0.669 nan 8.230 nan 0.000 0.434 301 I N 6.430 127.124 120.570 0.207 0.000 2.460 301 I HA 0.209 4.381 4.170 0.003 0.000 0.277 301 I C -0.263 176.040 176.117 0.310 0.000 1.057 301 I CA -0.517 60.934 61.300 0.252 0.000 1.179 301 I CB 1.316 39.414 38.000 0.162 0.000 1.329 301 I HN 0.262 nan 8.210 nan 0.000 0.478 302 V N 3.135 123.201 119.914 0.253 0.000 2.539 302 V HA 0.294 4.416 4.120 0.003 0.000 0.292 302 V C 0.537 176.481 176.094 -0.251 0.000 1.045 302 V CA -0.866 61.492 62.300 0.098 0.000 0.945 302 V CB 1.298 33.186 31.823 0.109 0.000 0.993 302 V HN 0.555 nan 8.190 nan 0.000 0.464 303 H N 3.293 121.965 119.070 -0.664 0.000 2.886 303 H HA 0.028 4.586 4.556 0.004 0.000 0.329 303 H C 1.323 176.350 175.328 -0.502 0.000 1.044 303 H CA 0.747 56.143 56.048 -1.087 0.000 1.456 303 H CB 1.056 30.382 29.762 -0.726 0.000 1.464 303 H HN 0.987 nan 8.280 nan 0.000 0.573 304 E N 2.257 122.002 120.200 -0.758 0.000 2.114 304 E HA -0.265 4.087 4.350 0.003 0.000 0.199 304 E C 1.864 178.401 176.600 -0.105 0.000 1.008 304 E CA 1.780 57.971 56.400 -0.348 0.000 0.810 304 E CB -0.153 29.331 29.700 -0.359 0.000 0.739 304 E HN 0.619 nan 8.360 nan 0.000 0.456 305 S N 1.440 117.182 115.700 0.070 0.000 2.419 305 S HA -0.134 4.338 4.470 0.003 0.000 0.233 305 S C 2.056 176.709 174.600 0.088 0.000 1.016 305 S CA 1.137 59.417 58.200 0.133 0.000 0.974 305 S CB -0.723 62.603 63.200 0.209 0.000 0.786 305 S HN 0.611 nan 8.310 nan 0.000 0.492 306 I N -2.586 118.036 120.570 0.086 0.000 4.082 306 I HA 0.626 4.798 4.170 0.003 0.000 0.337 306 I C 2.023 178.209 176.117 0.116 0.000 1.352 306 I CA 0.026 61.370 61.300 0.072 0.000 1.097 306 I CB -0.128 37.886 38.000 0.023 0.000 1.048 306 I HN 0.180 nan 8.210 nan 0.000 0.393 307 A N 1.702 124.571 122.820 0.082 0.000 1.873 307 A HA -0.195 4.127 4.320 0.003 0.000 0.218 307 A C 2.445 180.119 177.584 0.151 0.000 1.193 307 A CA 2.476 54.584 52.037 0.118 0.000 0.629 307 A CB -1.096 17.928 19.000 0.041 0.000 0.826 307 A HN 0.363 nan 8.150 nan 0.000 0.447 308 V N 1.036 121.011 119.914 0.100 0.000 2.295 308 V HA -0.267 3.855 4.120 0.003 0.000 0.246 308 V C 2.514 178.671 176.094 0.104 0.000 1.049 308 V CA 2.882 65.234 62.300 0.086 0.000 1.024 308 V CB -0.673 31.184 31.823 0.057 0.000 0.648 308 V HN 0.898 nan 8.190 nan 0.000 0.447 309 E N -1.094 119.180 120.200 0.123 0.000 2.152 309 E HA -0.228 4.124 4.350 0.003 0.000 0.192 309 E C 2.149 178.860 176.600 0.185 0.000 0.983 309 E CA 1.486 57.965 56.400 0.132 0.000 0.818 309 E CB -0.653 29.118 29.700 0.119 0.000 0.758 309 E HN 0.591 nan 8.360 nan 0.000 0.467 310 F N 2.058 122.050 119.950 0.071 0.000 2.113 310 F HA -0.118 4.410 4.527 0.003 0.000 0.297 310 F C 2.050 177.906 175.800 0.094 0.000 1.103 310 F CA 1.233 59.282 58.000 0.081 0.000 1.248 310 F CB -0.337 38.703 39.000 0.067 0.000 0.999 310 F HN -0.119 nan 8.300 nan 0.000 0.475 311 V N 0.382 120.303 119.914 0.011 0.000 2.490 311 V HA -0.301 3.821 4.120 0.003 0.000 0.250 311 V C 2.030 178.099 176.094 -0.041 0.000 1.061 311 V CA 2.184 64.443 62.300 -0.068 0.000 1.064 311 V CB -0.852 31.004 31.823 0.054 0.000 0.670 311 V HN 0.372 nan 8.190 nan 0.000 0.461 312 D N 0.062 120.471 120.400 0.015 0.000 2.144 312 D HA -0.180 4.462 4.640 0.003 0.000 0.199 312 D C 2.193 178.518 176.300 0.042 0.000 0.984 312 D CA 1.327 55.348 54.000 0.035 0.000 0.834 312 D CB -0.042 40.789 40.800 0.053 0.000 0.955 312 D HN 0.362 nan 8.370 nan 0.000 0.465 313 K N -0.615 119.808 120.400 0.038 0.000 2.097 313 K HA -0.072 4.250 4.320 0.003 0.000 0.205 313 K C 1.937 178.641 176.600 0.173 0.000 1.050 313 K CA 0.437 56.799 56.287 0.124 0.000 0.938 313 K CB -0.042 32.555 32.500 0.162 0.000 0.718 313 K HN 0.103 nan 8.250 nan 0.000 0.442 314 L N 0.633 121.802 121.223 -0.089 0.000 2.012 314 L HA -0.209 4.133 4.340 0.003 0.000 0.210 314 L C 2.180 179.130 176.870 0.134 0.000 1.073 314 L CA 1.497 56.307 54.840 -0.051 0.000 0.748 314 L CB -0.746 41.186 42.059 -0.212 0.000 0.891 314 L HN -0.032 nan 8.230 nan 0.000 0.431 315 V N -0.782 119.184 119.914 0.086 0.000 2.332 315 V HA -0.349 3.773 4.120 0.003 0.000 0.248 315 V C 2.517 178.670 176.094 0.098 0.000 1.055 315 V CA 1.901 64.256 62.300 0.092 0.000 1.038 315 V CB -0.543 31.314 31.823 0.057 0.000 0.651 315 V HN 0.416 nan 8.190 nan 0.000 0.450 316 K N -1.474 118.985 120.400 0.098 0.000 2.057 316 K HA -0.161 4.161 4.320 0.003 0.000 0.206 316 K C 1.884 178.503 176.600 0.032 0.000 1.050 316 K CA 1.639 57.948 56.287 0.038 0.000 0.935 316 K CB -0.293 32.202 32.500 -0.009 0.000 0.715 316 K HN 0.491 nan 8.250 nan 0.000 0.439 317 W N 0.893 122.199 121.300 0.010 0.000 2.335 317 W HA -0.193 4.469 4.660 0.004 0.000 0.311 317 W C 2.436 178.984 176.519 0.048 0.000 1.213 317 W CA 1.588 58.953 57.345 0.032 0.000 1.274 317 W CB -0.586 28.901 29.460 0.045 0.000 1.148 317 W HN 0.109 nan 8.180 nan 0.000 0.498 318 A N 0.064 123.064 122.820 0.299 0.000 1.902 318 A HA -0.238 4.084 4.320 0.003 0.000 0.217 318 A C 1.759 179.358 177.584 0.025 0.000 1.181 318 A CA 1.945 54.067 52.037 0.142 0.000 0.623 318 A CB -0.786 18.279 19.000 0.109 0.000 0.818 318 A HN 0.408 nan 8.150 nan 0.000 0.443 319 E N -0.825 119.394 120.200 0.031 0.000 2.208 319 E HA -0.147 4.205 4.350 0.003 0.000 0.193 319 E C 1.536 178.126 176.600 -0.017 0.000 0.988 319 E CA 0.899 57.296 56.400 -0.005 0.000 0.828 319 E CB -0.111 29.585 29.700 -0.005 0.000 0.763 319 E HN 0.614 nan 8.360 nan 0.000 0.478 320 N N 0.409 119.099 118.700 -0.017 0.000 2.467 320 N HA 0.011 4.753 4.740 0.003 0.000 0.184 320 N C -0.098 175.407 175.510 -0.009 0.000 1.106 320 N CA 0.053 53.077 53.050 -0.045 0.000 0.892 320 N CB 0.213 38.632 38.487 -0.113 0.000 0.969 320 N HN 0.010 nan 8.380 nan 0.000 0.454 321 I N 1.762 122.351 120.570 0.032 0.000 2.664 321 I HA -0.082 4.090 4.170 0.003 0.000 0.284 321 I C 0.803 176.936 176.117 0.026 0.000 1.154 321 I CA 0.064 61.396 61.300 0.054 0.000 1.402 321 I CB 0.301 38.339 38.000 0.063 0.000 1.395 321 I HN 0.067 nan 8.210 nan 0.000 0.545 322 K N 7.085 127.501 120.400 0.027 0.000 2.416 322 K HA 0.187 4.509 4.320 0.003 0.000 0.283 322 K C -0.693 175.933 176.600 0.042 0.000 1.037 322 K CA -0.257 56.038 56.287 0.014 0.000 0.995 322 K CB 0.542 33.045 32.500 0.006 0.000 0.938 322 K HN 0.487 nan 8.250 nan 0.000 0.475 323 I N 3.688 124.293 120.570 0.059 0.000 2.389 323 I HA 0.289 4.461 4.170 0.003 0.000 0.288 323 I C -0.974 175.159 176.117 0.027 0.000 0.999 323 I CA 0.314 61.654 61.300 0.067 0.000 1.129 323 I CB 1.486 39.521 38.000 0.058 0.000 1.288 323 I HN 0.795 nan 8.210 nan 0.000 0.444 324 S N 4.192 119.881 115.700 -0.017 0.000 2.703 324 S HA 0.347 4.819 4.470 0.003 0.000 0.273 324 S C -1.078 173.563 174.600 0.068 0.000 1.178 324 S CA -0.991 57.149 58.200 -0.100 0.000 0.838 324 S CB 0.664 63.859 63.200 -0.009 0.000 1.178 324 S HN 0.733 nan 8.310 nan 0.000 0.494 325 D N 1.920 122.358 120.400 0.064 0.000 2.533 325 D HA 0.118 4.760 4.640 0.003 0.000 0.236 325 D C -1.147 175.214 176.300 0.102 0.000 1.137 325 D CA -0.989 53.101 54.000 0.150 0.000 0.867 325 D CB 1.112 41.951 40.800 0.065 0.000 1.170 325 D HN 0.283 nan 8.370 nan 0.000 0.474 326 P HA -0.099 nan 4.420 nan 0.000 0.225 326 P C 1.510 178.828 177.300 0.029 0.000 1.148 326 P CA 0.685 63.813 63.100 0.048 0.000 0.779 326 P CB 0.261 31.967 31.700 0.010 0.000 0.780 327 L N -0.939 120.299 121.223 0.025 0.000 2.509 327 L HA 0.122 4.464 4.340 0.003 0.000 0.222 327 L C 1.567 178.447 176.870 0.018 0.000 1.123 327 L CA 0.082 54.932 54.840 0.017 0.000 0.856 327 L CB -0.436 41.629 42.059 0.010 0.000 0.985 327 L HN 0.043 nan 8.230 nan 0.000 0.456 328 E N 1.695 121.907 120.200 0.020 0.000 2.383 328 E HA -0.031 4.321 4.350 0.003 0.000 0.264 328 E C 0.047 176.657 176.600 0.016 0.000 1.050 328 E CA -0.249 56.159 56.400 0.014 0.000 0.896 328 E CB 0.688 30.394 29.700 0.010 0.000 0.982 328 E HN 0.071 nan 8.360 nan 0.000 0.424 329 E N 1.758 121.964 120.200 0.011 0.000 2.414 329 E HA 0.017 4.369 4.350 0.003 0.000 0.263 329 E C 0.458 177.066 176.600 0.014 0.000 1.000 329 E CA 0.960 57.368 56.400 0.013 0.000 0.914 329 E CB 0.288 29.993 29.700 0.008 0.000 0.948 329 E HN 0.825 nan 8.360 nan 0.000 0.444 330 G N 3.212 112.026 108.800 0.023 0.000 2.179 330 G HA2 -0.327 3.635 3.960 0.003 0.000 0.260 330 G HA3 -0.327 3.635 3.960 0.003 0.000 0.260 330 G C 0.408 175.329 174.900 0.035 0.000 0.977 330 G CA 0.099 45.214 45.100 0.025 0.000 0.641 330 G HN 0.743 nan 8.290 nan 0.000 0.533 331 C N 1.233 120.555 119.300 0.038 0.000 2.590 331 C HA 0.596 5.058 4.460 0.003 0.000 0.411 331 C C 1.758 176.785 174.990 0.062 0.000 1.420 331 C CA 0.331 59.378 59.018 0.048 0.000 1.643 331 C CB 0.087 27.856 27.740 0.048 0.000 2.528 331 C HN 0.452 nan 8.230 nan 0.000 0.606 332 R N 2.610 123.152 120.500 0.071 0.000 2.469 332 R HA 0.361 4.703 4.340 0.003 0.000 0.250 332 R C -0.876 175.471 176.300 0.079 0.000 0.909 332 R CA -0.007 56.150 56.100 0.095 0.000 1.050 332 R CB 0.216 30.586 30.300 0.117 0.000 1.256 332 R HN 0.671 nan 8.270 nan 0.000 0.550 333 L N -0.076 121.189 121.223 0.069 0.000 2.516 333 L HA 0.622 4.964 4.340 0.003 0.000 0.267 333 L C -0.377 176.567 176.870 0.123 0.000 0.957 333 L CA -0.511 54.367 54.840 0.065 0.000 0.860 333 L CB 1.812 43.907 42.059 0.059 0.000 1.265 333 L HN 0.105 nan 8.230 nan 0.000 0.403 334 G N 3.768 112.611 108.800 0.070 0.000 2.642 334 G HA2 0.735 4.697 3.960 0.003 0.000 0.291 334 G HA3 0.735 4.697 3.960 0.003 0.000 0.291 334 G C -2.902 171.949 174.900 -0.081 0.000 1.345 334 G CA -1.309 43.844 45.100 0.089 0.000 1.043 334 G HN 0.455 nan 8.290 nan 0.000 0.528 335 P HA 0.286 nan 4.420 nan 0.000 0.276 335 P C 0.027 177.136 177.300 -0.318 0.000 1.252 335 P CA -0.475 62.144 63.100 -0.802 0.000 0.802 335 P CB 1.142 32.051 31.700 -1.318 0.000 1.035 336 I N 1.377 121.841 120.570 -0.177 0.000 2.754 336 I HA -0.075 4.097 4.170 0.003 0.000 0.285 336 I C 2.239 178.293 176.117 -0.104 0.000 1.166 336 I CA 0.108 61.372 61.300 -0.060 0.000 1.417 336 I CB 0.430 38.476 38.000 0.076 0.000 1.382 336 I HN 0.178 nan 8.210 nan 0.000 0.588 337 V N 4.759 124.557 119.914 -0.193 0.000 2.392 337 V HA -0.161 3.961 4.120 0.003 0.000 0.249 337 V C 1.067 176.994 176.094 -0.279 0.000 1.059 337 V CA 2.091 64.202 62.300 -0.314 0.000 1.051 337 V CB 0.071 31.459 31.823 -0.724 0.000 0.658 337 V HN 0.992 nan 8.190 nan 0.000 0.455 338 S N -2.796 112.682 115.700 -0.369 0.000 2.615 338 S HA 0.338 4.810 4.470 0.003 0.000 0.269 338 S C 0.412 174.455 174.600 -0.928 0.000 1.161 338 S CA 0.007 57.908 58.200 -0.498 0.000 0.817 338 S CB 1.402 64.361 63.200 -0.402 0.000 1.131 338 S HN 0.253 nan 8.310 nan 0.000 0.467 339 E N 0.446 119.996 120.200 -1.084 0.000 2.072 339 E HA -0.091 4.261 4.350 0.003 0.000 0.191 339 E C 2.077 178.467 176.600 -0.350 0.000 0.985 339 E CA 1.299 57.151 56.400 -0.914 0.000 0.801 339 E CB -0.399 29.026 29.700 -0.459 0.000 0.750 339 E HN 0.749 nan 8.360 nan 0.000 0.452 340 A N 0.786 123.451 122.820 -0.258 0.000 1.930 340 A HA -0.185 4.137 4.320 0.003 0.000 0.217 340 A C 2.098 179.616 177.584 -0.110 0.000 1.175 340 A CA 1.086 53.040 52.037 -0.139 0.000 0.627 340 A CB -0.298 18.638 19.000 -0.108 0.000 0.815 340 A HN 0.209 nan 8.150 nan 0.000 0.443 341 Q N -1.708 118.003 119.800 -0.149 0.000 2.123 341 Q HA -0.146 4.196 4.340 0.003 0.000 0.199 341 Q C 1.914 177.906 176.000 -0.013 0.000 0.966 341 Q CA 1.486 57.250 55.803 -0.064 0.000 0.845 341 Q CB -0.570 28.105 28.738 -0.105 0.000 0.907 341 Q HN 0.817 nan 8.270 nan 0.000 0.439 342 Y N 2.011 122.177 120.300 -0.224 0.000 2.128 342 Y HA -0.258 4.294 4.550 0.004 0.000 0.284 342 Y C 2.111 177.965 175.900 -0.077 0.000 1.154 342 Y CA 1.745 59.752 58.100 -0.155 0.000 1.149 342 Y CB -0.063 38.247 38.460 -0.251 0.000 0.976 342 Y HN -0.016 nan 8.280 nan 0.000 0.505 343 K N 0.066 120.385 120.400 -0.136 0.000 2.026 343 K HA -0.199 4.123 4.320 0.003 0.000 0.208 343 K C 2.208 178.735 176.600 -0.121 0.000 1.048 343 K CA 1.761 57.949 56.287 -0.166 0.000 0.929 343 K CB -0.183 32.270 32.500 -0.078 0.000 0.713 343 K HN 0.254 nan 8.250 nan 0.000 0.439 344 K N 0.539 120.903 120.400 -0.060 0.000 2.044 344 K HA -0.181 4.141 4.320 0.003 0.000 0.210 344 K C 2.089 178.682 176.600 -0.013 0.000 1.049 344 K CA 1.726 58.003 56.287 -0.016 0.000 0.927 344 K CB -0.291 32.224 32.500 0.025 0.000 0.713 344 K HN -0.011 nan 8.250 nan 0.000 0.443 345 V N 1.878 121.780 119.914 -0.020 0.000 2.343 345 V HA -0.238 3.884 4.120 0.003 0.000 0.247 345 V C 2.309 178.368 176.094 -0.058 0.000 1.051 345 V CA 1.572 63.868 62.300 -0.006 0.000 1.036 345 V CB -0.447 31.389 31.823 0.022 0.000 0.654 345 V HN 0.272 nan 8.190 nan 0.000 0.451 346 L N 0.233 121.359 121.223 -0.162 0.000 2.046 346 L HA -0.155 4.187 4.340 0.003 0.000 0.208 346 L C 2.469 179.288 176.870 -0.086 0.000 1.077 346 L CA 1.416 56.155 54.840 -0.168 0.000 0.747 346 L CB -0.755 41.120 42.059 -0.306 0.000 0.896 346 L HN 0.377 nan 8.230 nan 0.000 0.432 347 N N -0.448 118.210 118.700 -0.071 0.000 2.166 347 N HA -0.153 4.589 4.740 0.003 0.000 0.186 347 N C 1.887 177.396 175.510 -0.002 0.000 1.019 347 N CA 1.422 54.453 53.050 -0.031 0.000 0.856 347 N CB -0.689 37.784 38.487 -0.024 0.000 0.993 347 N HN 0.343 nan 8.380 nan 0.000 0.426 348 C N 0.767 120.072 119.300 0.010 0.000 2.413 348 C HA -0.006 4.456 4.460 0.003 0.000 0.276 348 C C 2.721 177.734 174.990 0.038 0.000 1.248 348 C CA 0.155 59.195 59.018 0.037 0.000 1.742 348 C CB -1.053 26.720 27.740 0.055 0.000 2.017 348 C HN 0.393 nan 8.230 nan 0.000 0.481 349 I N 1.786 122.370 120.570 0.023 0.000 2.202 349 I HA -0.177 3.995 4.170 0.003 0.000 0.242 349 I C 2.633 178.763 176.117 0.021 0.000 1.091 349 I CA 2.041 63.357 61.300 0.027 0.000 1.368 349 I CB -0.481 37.527 38.000 0.014 0.000 1.058 349 I HN 0.395 nan 8.210 nan 0.000 0.410 350 S N -0.376 115.327 115.700 0.006 0.000 2.402 350 S HA -0.113 4.359 4.470 0.003 0.000 0.229 350 S C 2.066 176.675 174.600 0.016 0.000 1.021 350 S CA 1.234 59.438 58.200 0.007 0.000 0.974 350 S CB -0.467 62.731 63.200 -0.004 0.000 0.800 350 S HN 0.299 nan 8.310 nan 0.000 0.484 351 S N 2.356 118.068 115.700 0.021 0.000 2.368 351 S HA 0.062 4.534 4.470 0.003 0.000 0.225 351 S C 2.338 176.962 174.600 0.039 0.000 1.030 351 S CA 1.055 59.273 58.200 0.030 0.000 0.999 351 S CB -0.820 62.401 63.200 0.035 0.000 0.844 351 S HN 0.788 nan 8.310 nan 0.000 0.459 352 A N 1.540 124.388 122.820 0.046 0.000 1.908 352 A HA -0.158 4.164 4.320 0.003 0.000 0.218 352 A C 2.039 179.649 177.584 0.043 0.000 1.181 352 A CA 1.805 53.876 52.037 0.055 0.000 0.627 352 A CB -0.496 18.544 19.000 0.067 0.000 0.818 352 A HN 0.457 nan 8.150 nan 0.000 0.445 353 K N -0.288 120.132 120.400 0.035 0.000 2.057 353 K HA -0.099 4.223 4.320 0.003 0.000 0.207 353 K C 2.232 178.847 176.600 0.024 0.000 1.049 353 K CA 1.471 57.775 56.287 0.028 0.000 0.931 353 K CB -0.173 32.340 32.500 0.022 0.000 0.714 353 K HN 0.437 nan 8.250 nan 0.000 0.440 354 S N 1.136 116.849 115.700 0.022 0.000 2.400 354 S HA -0.116 4.356 4.470 0.003 0.000 0.232 354 S C 1.199 175.811 174.600 0.021 0.000 1.025 354 S CA 1.246 59.457 58.200 0.020 0.000 0.993 354 S CB -0.122 63.089 63.200 0.019 0.000 0.808 354 S HN 0.387 nan 8.310 nan 0.000 0.478 355 E N -0.091 120.125 120.200 0.026 0.000 2.489 355 E HA 0.197 4.549 4.350 0.003 0.000 0.193 355 E C 1.158 177.771 176.600 0.021 0.000 1.057 355 E CA 0.284 56.700 56.400 0.026 0.000 0.866 355 E CB 0.128 29.849 29.700 0.036 0.000 0.916 355 E HN 0.555 nan 8.360 nan 0.000 0.500 356 G N 1.189 110.001 108.800 0.021 0.000 2.157 356 G HA2 -0.276 3.686 3.960 0.003 0.000 0.239 356 G HA3 -0.276 3.686 3.960 0.003 0.000 0.239 356 G C 0.361 175.273 174.900 0.019 0.000 0.982 356 G CA 0.016 45.126 45.100 0.016 0.000 0.650 356 G HN 0.446 nan 8.290 nan 0.000 0.527 357 A N -0.241 122.596 122.820 0.028 0.000 2.313 357 A HA 0.761 5.083 4.320 0.003 0.000 0.261 357 A C 0.611 178.217 177.584 0.036 0.000 1.090 357 A CA 0.914 52.973 52.037 0.036 0.000 0.807 357 A CB 0.543 19.575 19.000 0.052 0.000 1.055 357 A HN 0.774 nan 8.150 nan 0.000 0.492 358 T N 2.514 117.091 114.554 0.040 0.000 2.771 358 T HA 0.424 4.776 4.350 0.003 0.000 0.281 358 T C -0.048 174.681 174.700 0.049 0.000 0.982 358 T CA -0.206 61.917 62.100 0.039 0.000 0.978 358 T CB 0.487 69.376 68.868 0.035 0.000 0.930 358 T HN 0.363 nan 8.240 nan 0.000 0.447 359 I N 4.963 125.559 120.570 0.044 0.000 2.278 359 I HA 0.155 4.327 4.170 0.003 0.000 0.296 359 I C 1.299 177.444 176.117 0.045 0.000 1.121 359 I CA -0.135 61.194 61.300 0.049 0.000 1.267 359 I CB -0.101 37.923 38.000 0.041 0.000 1.447 359 I HN 0.682 nan 8.210 nan 0.000 0.509 360 L N 3.509 124.764 121.223 0.054 0.000 2.109 360 L HA -0.051 4.291 4.340 0.003 0.000 0.207 360 L C 0.991 177.888 176.870 0.045 0.000 1.086 360 L CA 1.344 56.214 54.840 0.049 0.000 0.760 360 L CB 0.133 42.226 42.059 0.057 0.000 0.910 360 L HN 0.673 nan 8.230 nan 0.000 0.437 361 T N -2.027 112.557 114.554 0.049 0.000 2.942 361 T HA 0.515 4.867 4.350 0.003 0.000 0.327 361 T C -0.190 174.526 174.700 0.027 0.000 1.360 361 T CA 0.118 62.239 62.100 0.035 0.000 1.055 361 T CB 1.448 70.338 68.868 0.036 0.000 1.261 361 T HN 0.507 nan 8.240 nan 0.000 0.485 362 G N 2.229 111.035 108.800 0.010 0.000 2.512 362 G HA2 0.273 4.235 3.960 0.003 0.000 0.254 362 G HA3 0.273 4.235 3.960 0.003 0.000 0.254 362 G C 0.917 175.826 174.900 0.015 0.000 1.199 362 G CA 0.929 46.029 45.100 0.000 0.000 0.941 362 G HN 2.435 nan 8.290 nan 0.000 0.569 363 G N -0.858 107.952 108.800 0.017 0.000 2.225 363 G HA2 0.127 4.089 3.960 0.003 0.000 0.264 363 G HA3 0.127 4.089 3.960 0.003 0.000 0.264 363 G C 0.160 175.068 174.900 0.014 0.000 1.060 363 G CA 1.717 46.829 45.100 0.019 0.000 0.833 363 G HN 1.629 nan 8.290 nan 0.000 0.498 364 R N -1.270 119.244 120.500 0.023 0.000 2.687 364 R HA 0.454 4.796 4.340 0.003 0.000 0.265 364 R C 0.092 176.432 176.300 0.067 0.000 1.048 364 R CA -0.925 55.196 56.100 0.034 0.000 0.884 364 R CB 0.953 31.269 30.300 0.026 0.000 1.258 364 R HN 0.349 nan 8.270 nan 0.000 0.469 365 R N 3.567 124.124 120.500 0.096 0.000 2.489 365 R HA 0.225 4.567 4.340 0.003 0.000 0.287 365 R C -2.166 174.157 176.300 0.039 0.000 1.053 365 R CA -0.953 55.223 56.100 0.127 0.000 1.036 365 R CB 0.537 30.937 30.300 0.167 0.000 0.966 365 R HN 0.271 nan 8.270 nan 0.000 0.432 366 P HA -0.024 nan 4.420 nan 0.000 0.268 366 P C -0.258 176.964 177.300 -0.130 0.000 1.204 366 P CA -0.020 63.020 63.100 -0.100 0.000 0.768 366 P CB 0.973 32.502 31.700 -0.283 0.000 0.842 367 E N 3.081 123.266 120.200 -0.025 0.000 2.070 367 E HA -0.276 4.076 4.350 0.003 0.000 0.197 367 E C 1.491 178.075 176.600 -0.026 0.000 1.004 367 E CA 1.789 58.189 56.400 0.001 0.000 0.805 367 E CB -0.589 29.139 29.700 0.048 0.000 0.744 367 E HN 0.586 nan 8.360 nan 0.000 0.451 368 H N -1.067 117.950 119.070 -0.087 0.000 2.547 368 H HA 0.102 4.660 4.556 0.003 0.000 0.266 368 H C -0.324 174.915 175.328 -0.149 0.000 0.988 368 H CA 0.066 56.049 56.048 -0.107 0.000 1.147 368 H CB -0.005 29.690 29.762 -0.112 0.000 1.365 368 H HN 0.075 nan 8.280 nan 0.000 0.589 369 L N 2.382 123.305 121.223 -0.501 0.000 2.345 369 L HA 0.250 4.592 4.340 0.003 0.000 0.274 369 L C 0.808 177.549 176.870 -0.216 0.000 0.999 369 L CA -0.507 54.057 54.840 -0.460 0.000 0.849 369 L CB 2.065 43.633 42.059 -0.820 0.000 1.220 369 L HN -0.043 nan 8.230 nan 0.000 0.422 370 K N 1.504 121.824 120.400 -0.133 0.000 2.128 370 K HA 0.159 4.481 4.320 0.003 0.000 0.202 370 K C 0.386 176.957 176.600 -0.048 0.000 1.050 370 K CA 0.640 56.887 56.287 -0.067 0.000 0.966 370 K CB 0.532 33.001 32.500 -0.051 0.000 0.759 370 K HN 0.372 nan 8.250 nan 0.000 0.454 371 K N -0.584 119.781 120.400 -0.058 0.000 2.281 371 K HA 0.490 4.812 4.320 0.003 0.000 0.242 371 K C -0.556 176.012 176.600 -0.054 0.000 0.971 371 K CA -0.242 55.998 56.287 -0.077 0.000 0.834 371 K CB 2.048 34.494 32.500 -0.091 0.000 1.181 371 K HN 0.224 nan 8.250 nan 0.000 0.435 372 G N 0.631 109.273 108.800 -0.264 0.000 2.712 372 G HA2 -0.212 3.750 3.960 0.003 0.000 0.686 372 G HA3 -0.212 3.750 3.960 0.003 0.000 0.686 372 G C -0.960 173.572 174.900 -0.614 0.000 1.181 372 G CA -0.886 43.926 45.100 -0.480 0.000 0.762 372 G HN 0.594 nan 8.290 nan 0.000 0.641 373 Y N 0.278 120.142 120.300 -0.727 0.000 2.971 373 Y HA 0.427 4.979 4.550 0.004 0.000 0.384 373 Y C 0.890 176.340 175.900 -0.751 0.000 1.166 373 Y CA -0.594 56.863 58.100 -1.071 0.000 1.973 373 Y CB -0.307 37.689 38.460 -0.773 0.000 2.082 373 Y HN 0.336 nan 8.280 nan 0.000 0.420 374 F N 0.334 120.149 119.950 -0.225 0.000 2.404 374 F HA 0.451 4.980 4.527 0.003 0.000 0.345 374 F C 0.064 175.977 175.800 0.188 0.000 1.110 374 F CA -0.988 57.002 58.000 -0.016 0.000 1.130 374 F CB 0.895 39.835 39.000 -0.100 0.000 1.129 374 F HN -0.200 nan 8.300 nan 0.000 0.500 375 V N 2.461 122.575 119.914 0.333 0.000 2.604 375 V HA 0.305 4.427 4.120 0.003 0.000 0.305 375 V C -0.162 176.002 176.094 0.116 0.000 1.043 375 V CA -1.357 61.079 62.300 0.227 0.000 0.888 375 V CB 1.664 33.587 31.823 0.165 0.000 0.995 375 V HN 0.654 nan 8.190 nan 0.000 0.429 376 E N 3.839 124.074 120.200 0.058 0.000 2.404 376 E HA 0.201 4.553 4.350 0.003 0.000 0.261 376 E C -2.429 174.108 176.600 -0.106 0.000 1.074 376 E CA -1.425 54.964 56.400 -0.018 0.000 0.917 376 E CB 0.421 30.112 29.700 -0.015 0.000 0.965 376 E HN 0.475 nan 8.360 nan 0.000 0.433 377 P HA -0.003 nan 4.420 nan 0.000 0.268 377 P C -1.050 176.059 177.300 -0.318 0.000 1.204 377 P CA 0.243 62.965 63.100 -0.629 0.000 0.768 377 P CB 0.592 31.587 31.700 -1.174 0.000 0.842 378 T N 4.184 118.681 114.554 -0.094 0.000 2.792 378 T HA 0.565 4.917 4.350 0.003 0.000 0.280 378 T C 0.096 174.943 174.700 0.244 0.000 0.990 378 T CA -0.331 61.821 62.100 0.087 0.000 0.960 378 T CB 0.460 69.383 68.868 0.092 0.000 0.939 378 T HN 0.179 nan 8.240 nan 0.000 0.439 379 I N 3.845 124.528 120.570 0.188 0.000 2.362 379 I HA 0.483 4.655 4.170 0.003 0.000 0.289 379 I C -0.491 175.705 176.117 0.131 0.000 0.994 379 I CA -0.756 60.659 61.300 0.192 0.000 1.158 379 I CB 1.417 39.525 38.000 0.179 0.000 1.315 379 I HN 0.452 nan 8.210 nan 0.000 0.451 380 I N 5.409 126.058 120.570 0.132 0.000 2.389 380 I HA 0.360 4.532 4.170 0.003 0.000 0.288 380 I C 0.147 176.330 176.117 0.110 0.000 0.999 380 I CA -0.098 61.269 61.300 0.111 0.000 1.129 380 I CB 2.067 40.136 38.000 0.115 0.000 1.288 380 I HN 0.529 nan 8.210 nan 0.000 0.444 381 T N 2.798 117.404 114.554 0.086 0.000 2.807 381 T HA 0.266 4.618 4.350 0.003 0.000 0.277 381 T C -0.571 174.161 174.700 0.053 0.000 1.006 381 T CA -0.199 61.946 62.100 0.074 0.000 1.006 381 T CB 0.816 69.724 68.868 0.066 0.000 1.274 381 T HN 0.692 nan 8.240 nan 0.000 0.569 382 D N 0.464 120.884 120.400 0.034 0.000 2.705 382 D HA -0.113 4.529 4.640 0.003 0.000 0.240 382 D C -0.540 175.762 176.300 0.004 0.000 1.137 382 D CA 0.419 54.426 54.000 0.012 0.000 0.677 382 D CB -1.352 39.456 40.800 0.013 0.000 1.049 382 D HN 0.245 nan 8.370 nan 0.000 0.427 383 V N 0.337 120.249 119.914 -0.003 0.000 2.539 383 V HA 0.485 4.607 4.120 0.003 0.000 0.292 383 V C 0.952 176.967 176.094 -0.132 0.000 1.045 383 V CA -0.125 62.166 62.300 -0.016 0.000 0.945 383 V CB 2.233 34.098 31.823 0.070 0.000 0.993 383 V HN 0.103 nan 8.190 nan 0.000 0.464 384 T N 1.539 116.005 114.554 -0.146 0.000 2.912 384 T HA 0.193 4.545 4.350 0.003 0.000 0.288 384 T C 1.132 175.612 174.700 -0.367 0.000 1.030 384 T CA 0.092 62.051 62.100 -0.235 0.000 1.020 384 T CB 1.668 70.462 68.868 -0.123 0.000 1.056 384 T HN 0.882 nan 8.240 nan 0.000 0.480 385 T N 1.182 115.420 114.554 -0.527 0.000 2.822 385 T HA -0.138 4.214 4.350 0.003 0.000 0.270 385 T C 1.954 176.593 174.700 -0.102 0.000 1.064 385 T CA 2.086 63.838 62.100 -0.580 0.000 1.131 385 T CB -0.450 68.193 68.868 -0.374 0.000 0.858 385 T HN 0.642 nan 8.240 nan 0.000 0.483 386 S N -0.281 115.383 115.700 -0.061 0.000 2.562 386 S HA 0.280 4.752 4.470 0.003 0.000 0.221 386 S C 0.845 175.484 174.600 0.066 0.000 0.975 386 S CA -0.270 57.944 58.200 0.023 0.000 0.918 386 S CB -0.448 62.752 63.200 0.001 0.000 0.772 386 S HN 0.503 nan 8.310 nan 0.000 0.531 387 M N 1.530 121.176 119.600 0.078 0.000 2.228 387 M HA 0.183 4.665 4.480 0.003 0.000 0.326 387 M C 1.744 178.144 176.300 0.167 0.000 1.122 387 M CA -0.138 55.229 55.300 0.111 0.000 1.161 387 M CB 0.607 33.270 32.600 0.104 0.000 1.437 387 M HN 0.223 nan 8.290 nan 0.000 0.465 388 Q N 1.365 121.243 119.800 0.131 0.000 2.050 388 Q HA -0.188 4.154 4.340 0.003 0.000 0.202 388 Q C 1.504 177.597 176.000 0.154 0.000 0.980 388 Q CA 1.909 57.790 55.803 0.130 0.000 0.840 388 Q CB -0.124 28.670 28.738 0.094 0.000 0.898 388 Q HN 0.771 nan 8.270 nan 0.000 0.424 389 I N -1.792 118.874 120.570 0.161 0.000 2.916 389 I HA -0.150 4.022 4.170 0.003 0.000 0.267 389 I C 1.996 178.241 176.117 0.213 0.000 1.263 389 I CA 0.841 62.238 61.300 0.163 0.000 1.471 389 I CB -0.833 37.256 38.000 0.149 0.000 1.089 389 I HN 0.323 nan 8.210 nan 0.000 0.468 390 W N 3.483 124.819 121.300 0.060 0.000 2.453 390 W HA -0.090 4.570 4.660 -0.001 0.000 0.289 390 W C 2.541 179.105 176.519 0.074 0.000 1.215 390 W CA 1.737 59.117 57.345 0.058 0.000 1.297 390 W CB 0.094 29.579 29.460 0.043 0.000 1.113 390 W HN 0.295 nan 8.180 nan 0.000 0.551 391 R N 0.347 120.950 120.500 0.172 0.000 2.146 391 R HA 0.149 4.491 4.340 0.003 0.000 0.206 391 R C 0.283 176.663 176.300 0.133 0.000 1.049 391 R CA 0.394 56.558 56.100 0.107 0.000 1.029 391 R CB -0.641 29.758 30.300 0.164 0.000 0.949 391 R HN -0.036 nan 8.270 nan 0.000 0.471 392 E N 1.890 122.171 120.200 0.134 0.000 2.249 392 E HA 0.062 4.414 4.350 0.003 0.000 0.280 392 E C -1.173 175.492 176.600 0.108 0.000 1.016 392 E CA -0.521 55.969 56.400 0.150 0.000 0.830 392 E CB 1.733 31.507 29.700 0.123 0.000 1.081 392 E HN 0.190 nan 8.360 nan 0.000 0.395 393 E N 2.315 122.574 120.200 0.098 0.000 2.366 393 E HA -0.015 4.337 4.350 0.003 0.000 0.266 393 E C 0.326 176.987 176.600 0.102 0.000 1.015 393 E CA -0.255 56.166 56.400 0.036 0.000 0.906 393 E CB 0.759 30.418 29.700 -0.068 0.000 0.979 393 E HN 0.304 nan 8.360 nan 0.000 0.443 394 V N 5.237 125.231 119.914 0.133 0.000 2.426 394 V HA -0.062 4.060 4.120 0.003 0.000 0.242 394 V C 0.782 177.038 176.094 0.271 0.000 1.036 394 V CA 0.496 62.891 62.300 0.158 0.000 1.044 394 V CB -0.648 31.251 31.823 0.126 0.000 0.688 394 V HN 0.957 nan 8.190 nan 0.000 0.462 395 F N 0.920 120.897 119.950 0.044 0.000 3.030 395 F HA 0.028 4.558 4.527 0.004 0.000 0.309 395 F C 0.414 176.274 175.800 0.101 0.000 0.941 395 F CA 0.737 58.778 58.000 0.068 0.000 1.082 395 F CB -1.121 37.936 39.000 0.096 0.000 1.113 395 F HN 0.321 nan 8.300 nan 0.000 0.716 396 G N -0.021 108.833 108.800 0.090 0.000 2.660 396 G HA2 0.622 4.584 3.960 0.003 0.000 0.290 396 G HA3 0.622 4.584 3.960 0.003 0.000 0.290 396 G C -3.179 171.784 174.900 0.106 0.000 1.432 396 G CA -0.939 44.208 45.100 0.078 0.000 0.807 396 G HN -0.138 nan 8.290 nan 0.000 0.485 397 P HA 0.303 nan 4.420 nan 0.000 0.241 397 P C -0.599 176.960 177.300 0.433 0.000 1.760 397 P CA -0.078 63.231 63.100 0.348 0.000 1.081 397 P CB 0.370 32.170 31.700 0.168 0.000 1.975 398 V N 4.244 124.365 119.914 0.344 0.000 2.482 398 V HA 0.279 4.401 4.120 0.003 0.000 0.295 398 V C -0.171 176.040 176.094 0.195 0.000 1.026 398 V CA -0.802 61.664 62.300 0.277 0.000 0.856 398 V CB 2.208 34.128 31.823 0.162 0.000 1.001 398 V HN 0.176 nan 8.190 nan 0.000 0.424 399 L N 4.815 126.163 121.223 0.208 0.000 2.296 399 L HA 0.926 5.268 4.340 0.003 0.000 0.286 399 L C 0.288 177.233 176.870 0.127 0.000 1.023 399 L CA -0.046 54.846 54.840 0.086 0.000 0.812 399 L CB 1.453 43.505 42.059 -0.013 0.000 1.223 399 L HN 0.747 nan 8.230 nan 0.000 0.421 400 A N 5.144 128.040 122.820 0.127 0.000 2.292 400 A HA 0.744 5.066 4.320 0.003 0.000 0.319 400 A C -1.021 176.701 177.584 0.231 0.000 1.206 400 A CA -0.534 51.620 52.037 0.194 0.000 0.835 400 A CB 0.988 20.141 19.000 0.255 0.000 1.164 400 A HN 0.526 nan 8.150 nan 0.000 0.505 401 V N 3.383 123.427 119.914 0.218 0.000 2.459 401 V HA 0.535 4.657 4.120 0.003 0.000 0.295 401 V C -0.128 176.081 176.094 0.191 0.000 1.029 401 V CA -0.738 61.686 62.300 0.207 0.000 0.874 401 V CB 1.472 33.386 31.823 0.152 0.000 0.985 401 V HN 0.878 nan 8.190 nan 0.000 0.438 402 K N 1.575 122.102 120.400 0.211 0.000 2.443 402 K HA 0.657 4.979 4.320 0.003 0.000 0.251 402 K C -0.617 176.050 176.600 0.111 0.000 0.972 402 K CA -0.642 55.702 56.287 0.095 0.000 0.833 402 K CB 2.574 35.061 32.500 -0.021 0.000 1.317 402 K HN 0.663 nan 8.250 nan 0.000 0.441 403 T N 1.715 116.293 114.554 0.040 0.000 2.895 403 T HA 0.684 5.036 4.350 0.003 0.000 0.283 403 T C -0.845 173.886 174.700 0.051 0.000 1.014 403 T CA -0.469 61.631 62.100 -0.000 0.000 1.037 403 T CB 0.299 69.130 68.868 -0.061 0.000 1.006 403 T HN 0.418 nan 8.240 nan 0.000 0.468 404 F N 0.012 119.877 119.950 -0.143 0.000 2.613 404 F HA 0.695 5.225 4.527 0.004 0.000 0.314 404 F C 0.738 176.372 175.800 -0.276 0.000 1.075 404 F CA -0.941 56.961 58.000 -0.164 0.000 0.945 404 F CB 1.104 40.023 39.000 -0.134 0.000 1.310 404 F HN 0.487 nan 8.300 nan 0.000 0.467 405 S N -0.361 115.305 115.700 -0.057 0.000 2.591 405 S HA 0.224 4.696 4.470 0.003 0.000 0.235 405 S C 0.645 175.340 174.600 0.159 0.000 1.074 405 S CA 0.702 58.788 58.200 -0.190 0.000 0.925 405 S CB -0.498 62.639 63.200 -0.104 0.000 0.818 405 S HN 1.028 nan 8.310 nan 0.000 0.535 406 T N -0.535 114.197 114.554 0.297 0.000 2.943 406 T HA 0.504 4.856 4.350 0.003 0.000 0.284 406 T C 0.655 175.553 174.700 0.329 0.000 1.015 406 T CA -0.590 61.694 62.100 0.306 0.000 1.042 406 T CB 1.920 70.887 68.868 0.165 0.000 1.055 406 T HN 0.244 nan 8.240 nan 0.000 0.500 407 E N 0.327 120.709 120.200 0.303 0.000 2.085 407 E HA -0.227 4.125 4.350 0.003 0.000 0.194 407 E C 1.859 178.492 176.600 0.054 0.000 0.994 407 E CA 1.378 57.911 56.400 0.221 0.000 0.801 407 E CB -0.036 29.813 29.700 0.250 0.000 0.743 407 E HN 0.880 nan 8.360 nan 0.000 0.453 408 E N 0.387 120.625 120.200 0.063 0.000 2.097 408 E HA -0.278 4.074 4.350 0.003 0.000 0.196 408 E C 2.006 178.605 176.600 -0.003 0.000 1.000 408 E CA 1.412 57.828 56.400 0.026 0.000 0.804 408 E CB -0.023 29.698 29.700 0.035 0.000 0.740 408 E HN 0.310 nan 8.360 nan 0.000 0.454 409 E N -0.352 119.854 120.200 0.009 0.000 2.072 409 E HA -0.162 4.190 4.350 0.003 0.000 0.190 409 E C 1.971 178.513 176.600 -0.096 0.000 0.982 409 E CA 0.830 57.230 56.400 0.000 0.000 0.803 409 E CB -0.110 29.635 29.700 0.074 0.000 0.755 409 E HN 0.300 nan 8.360 nan 0.000 0.453 410 A N 1.173 123.799 122.820 -0.323 0.000 1.908 410 A HA -0.188 4.134 4.320 0.003 0.000 0.218 410 A C 2.145 179.540 177.584 -0.314 0.000 1.181 410 A CA 1.400 53.023 52.037 -0.690 0.000 0.627 410 A CB -0.659 17.365 19.000 -1.627 0.000 0.818 410 A HN 0.322 nan 8.150 nan 0.000 0.445 411 I N -0.036 120.425 120.570 -0.183 0.000 2.179 411 I HA -0.266 3.906 4.170 0.003 0.000 0.242 411 I C 2.136 178.227 176.117 -0.042 0.000 1.088 411 I CA 1.311 62.562 61.300 -0.082 0.000 1.357 411 I CB -0.467 37.510 38.000 -0.039 0.000 1.051 411 I HN 0.291 nan 8.210 nan 0.000 0.409 412 N N 0.821 119.504 118.700 -0.028 0.000 2.166 412 N HA -0.119 4.623 4.740 0.003 0.000 0.186 412 N C 1.933 177.470 175.510 0.046 0.000 1.019 412 N CA 1.240 54.293 53.050 0.005 0.000 0.856 412 N CB -0.370 38.121 38.487 0.007 0.000 0.993 412 N HN 0.322 nan 8.380 nan 0.000 0.426 413 L N 0.438 121.696 121.223 0.058 0.000 2.056 413 L HA -0.070 4.272 4.340 0.003 0.000 0.207 413 L C 2.337 179.337 176.870 0.217 0.000 1.078 413 L CA 1.001 55.957 54.840 0.194 0.000 0.749 413 L CB -0.426 41.743 42.059 0.182 0.000 0.901 413 L HN 0.112 nan 8.230 nan 0.000 0.433 414 A N 0.076 122.936 122.820 0.067 0.000 1.933 414 A HA -0.170 4.152 4.320 0.003 0.000 0.218 414 A C 1.763 179.343 177.584 -0.007 0.000 1.175 414 A CA 1.680 53.723 52.037 0.009 0.000 0.628 414 A CB -0.419 18.559 19.000 -0.037 0.000 0.814 414 A HN 0.438 nan 8.150 nan 0.000 0.444 415 N N 0.192 118.895 118.700 0.006 0.000 2.383 415 N HA 0.015 4.757 4.740 0.003 0.000 0.192 415 N C -0.271 175.240 175.510 0.003 0.000 1.141 415 N CA 0.381 53.428 53.050 -0.006 0.000 0.851 415 N CB -0.069 38.413 38.487 -0.010 0.000 0.976 415 N HN 0.468 nan 8.380 nan 0.000 0.465 416 D N 0.630 121.065 120.400 0.059 0.000 2.801 416 D HA 0.062 4.704 4.640 0.003 0.000 0.232 416 D C -0.645 175.666 176.300 0.019 0.000 1.128 416 D CA 0.164 54.224 54.000 0.100 0.000 1.003 416 D CB -0.119 40.863 40.800 0.303 0.000 1.110 416 D HN -0.078 nan 8.370 nan 0.000 0.477 417 T N -0.645 113.852 114.554 -0.095 0.000 2.885 417 T HA 0.180 4.532 4.350 0.003 0.000 0.322 417 T C 0.277 174.864 174.700 -0.188 0.000 1.387 417 T CA -0.601 61.416 62.100 -0.138 0.000 1.041 417 T CB 0.890 69.726 68.868 -0.052 0.000 1.287 417 T HN 0.221 nan 8.240 nan 0.000 0.491 418 H N 1.086 120.097 119.070 -0.099 0.000 2.548 418 H HA 0.288 4.843 4.556 -0.001 0.000 0.268 418 H C 0.053 175.262 175.328 -0.199 0.000 0.975 418 H CA 0.246 56.193 56.048 -0.168 0.000 1.195 418 H CB 0.166 29.784 29.762 -0.240 0.000 1.397 418 H HN 0.434 nan 8.280 nan 0.000 0.572 419 Y N -0.396 119.936 120.300 0.054 0.000 2.260 419 Y HA 0.349 4.905 4.550 0.009 0.000 0.339 419 Y C 1.346 177.233 175.900 -0.021 0.000 1.317 419 Y CA 0.086 58.193 58.100 0.011 0.000 1.514 419 Y CB 0.933 39.383 38.460 -0.017 0.000 1.382 419 Y HN 0.083 nan 8.280 nan 0.000 0.581 420 G N 0.438 109.337 108.800 0.165 0.000 5.374 420 G HA2 0.167 4.128 3.960 0.003 0.000 0.198 420 G HA3 0.167 4.128 3.960 0.003 0.000 0.198 420 G C -0.389 174.481 174.900 -0.050 0.000 0.812 420 G CA -0.242 44.875 45.100 0.028 0.000 0.614 420 G HN 0.480 nan 8.290 nan 0.000 0.357 421 L N 0.798 121.982 121.223 -0.065 0.000 2.117 421 L HA 0.698 5.039 4.340 0.003 0.000 0.200 421 L C 1.365 178.060 176.870 -0.292 0.000 1.110 421 L CA 2.056 56.791 54.840 -0.175 0.000 0.774 421 L CB -0.521 41.462 42.059 -0.126 0.000 0.934 421 L HN 0.248 nan 8.230 nan 0.000 0.456 422 G N -1.491 107.194 108.800 -0.193 0.000 2.735 422 G HA2 0.618 4.580 3.960 0.003 0.000 0.301 422 G HA3 0.618 4.580 3.960 0.003 0.000 0.301 422 G C -1.506 173.342 174.900 -0.087 0.000 1.279 422 G CA 0.208 45.177 45.100 -0.219 0.000 1.019 422 G HN 0.629 nan 8.290 nan 0.000 0.497 423 S N -2.359 113.329 115.700 -0.019 0.000 2.608 423 S HA 0.687 5.159 4.470 0.003 0.000 0.285 423 S C -0.885 173.810 174.600 0.158 0.000 1.108 423 S CA -0.144 58.083 58.200 0.044 0.000 0.858 423 S CB 0.989 64.157 63.200 -0.054 0.000 1.077 423 S HN 2.196 nan 8.310 nan 0.000 0.450 424 A N 1.405 124.320 122.820 0.157 0.000 2.435 424 A HA 0.892 5.214 4.320 0.003 0.000 0.304 424 A C -1.022 176.613 177.584 0.085 0.000 1.064 424 A CA -0.922 51.211 52.037 0.161 0.000 0.727 424 A CB 1.822 20.922 19.000 0.166 0.000 1.284 424 A HN 1.555 nan 8.150 nan 0.000 0.415 425 V N 2.727 122.685 119.914 0.074 0.000 2.444 425 V HA 0.509 4.631 4.120 0.003 0.000 0.294 425 V C -0.695 175.445 176.094 0.077 0.000 1.022 425 V CA -0.552 61.806 62.300 0.098 0.000 0.850 425 V CB 1.491 33.374 31.823 0.101 0.000 0.992 425 V HN 0.842 nan 8.190 nan 0.000 0.426 426 M N 3.979 123.646 119.600 0.112 0.000 2.044 426 M HA 0.647 5.129 4.480 0.003 0.000 0.333 426 M C -0.268 176.118 176.300 0.143 0.000 1.004 426 M CA -0.000 55.343 55.300 0.072 0.000 0.954 426 M CB 0.658 33.276 32.600 0.031 0.000 1.468 426 M HN 0.699 nan 8.290 nan 0.000 0.414 427 S N 2.026 117.771 115.700 0.075 0.000 2.542 427 S HA 0.452 4.924 4.470 0.003 0.000 0.276 427 S C 0.192 174.782 174.600 -0.017 0.000 1.148 427 S CA -0.535 57.688 58.200 0.039 0.000 0.886 427 S CB 1.143 64.312 63.200 -0.052 0.000 1.109 427 S HN 0.662 nan 8.310 nan 0.000 0.458 428 N N 1.878 120.565 118.700 -0.023 0.000 2.409 428 N HA 0.033 4.775 4.740 0.003 0.000 0.179 428 N C -0.088 175.392 175.510 -0.050 0.000 1.032 428 N CA 0.493 53.527 53.050 -0.027 0.000 0.898 428 N CB -0.153 38.325 38.487 -0.015 0.000 0.971 428 N HN 0.691 nan 8.380 nan 0.000 0.441 429 D N 0.841 121.191 120.400 -0.083 0.000 2.359 429 D HA 0.010 4.652 4.640 0.003 0.000 0.250 429 D C 0.781 177.018 176.300 -0.106 0.000 1.264 429 D CA -0.204 53.735 54.000 -0.102 0.000 0.911 429 D CB 0.446 41.158 40.800 -0.146 0.000 1.056 429 D HN -0.132 nan 8.370 nan 0.000 0.499 430 L N 3.594 124.772 121.223 -0.074 0.000 2.395 430 L HA 0.023 4.365 4.340 0.003 0.000 0.218 430 L C 2.035 178.864 176.870 -0.069 0.000 1.130 430 L CA 1.054 55.856 54.840 -0.064 0.000 0.826 430 L CB -0.337 41.696 42.059 -0.044 0.000 0.941 430 L HN 0.496 nan 8.230 nan 0.000 0.451 431 E N -0.894 119.261 120.200 -0.076 0.000 2.158 431 E HA -0.168 4.184 4.350 0.003 0.000 0.191 431 E C 2.152 178.694 176.600 -0.096 0.000 0.982 431 E CA 0.377 56.733 56.400 -0.073 0.000 0.823 431 E CB 0.001 29.663 29.700 -0.064 0.000 0.766 431 E HN 0.347 nan 8.360 nan 0.000 0.468 432 R N 0.578 120.993 120.500 -0.142 0.000 2.090 432 R HA -0.101 4.240 4.340 0.003 0.000 0.228 432 R C 2.163 178.362 176.300 -0.169 0.000 1.110 432 R CA 1.249 57.223 56.100 -0.210 0.000 0.973 432 R CB -0.265 29.808 30.300 -0.378 0.000 0.869 432 R HN 0.203 nan 8.270 nan 0.000 0.440 433 C N 0.681 119.904 119.300 -0.129 0.000 2.429 433 C HA -0.082 4.380 4.460 0.003 0.000 0.277 433 C C 2.511 177.467 174.990 -0.056 0.000 1.262 433 C CA 1.112 60.087 59.018 -0.073 0.000 1.733 433 C CB -0.760 26.947 27.740 -0.056 0.000 2.010 433 C HN 0.640 nan 8.230 nan 0.000 0.483 434 E N 0.747 120.911 120.200 -0.060 0.000 2.051 434 E HA -0.202 4.150 4.350 0.003 0.000 0.192 434 E C 2.371 178.942 176.600 -0.048 0.000 0.991 434 E CA 1.234 57.604 56.400 -0.051 0.000 0.799 434 E CB -0.133 29.539 29.700 -0.047 0.000 0.748 434 E HN 0.511 nan 8.360 nan 0.000 0.449 435 R N -0.169 120.300 120.500 -0.053 0.000 2.097 435 R HA -0.195 4.147 4.340 0.003 0.000 0.236 435 R C 2.554 178.835 176.300 -0.032 0.000 1.135 435 R CA 1.760 57.834 56.100 -0.043 0.000 0.934 435 R CB -0.616 29.654 30.300 -0.050 0.000 0.846 435 R HN 0.229 nan 8.270 nan 0.000 0.431 436 L N 0.805 122.013 121.223 -0.024 0.000 2.131 436 L HA -0.163 4.179 4.340 0.003 0.000 0.210 436 L C 2.659 179.515 176.870 -0.024 0.000 1.092 436 L CA 1.662 56.501 54.840 -0.003 0.000 0.759 436 L CB -0.436 41.653 42.059 0.050 0.000 0.903 436 L HN 0.287 nan 8.230 nan 0.000 0.435 437 S N -1.068 114.610 115.700 -0.037 0.000 2.399 437 S HA -0.198 4.274 4.470 0.003 0.000 0.231 437 S C 2.009 176.570 174.600 -0.064 0.000 1.022 437 S CA 0.846 59.011 58.200 -0.059 0.000 0.983 437 S CB -0.335 62.826 63.200 -0.065 0.000 0.803 437 S HN 0.382 nan 8.310 nan 0.000 0.480 438 K N 1.097 121.466 120.400 -0.051 0.000 2.217 438 K HA 0.183 4.505 4.320 0.003 0.000 0.202 438 K C 2.274 178.848 176.600 -0.044 0.000 1.051 438 K CA 1.018 57.277 56.287 -0.048 0.000 0.952 438 K CB -0.291 32.186 32.500 -0.038 0.000 0.736 438 K HN 0.544 nan 8.250 nan 0.000 0.453 439 A N 0.841 123.639 122.820 -0.037 0.000 2.044 439 A HA 0.133 4.455 4.320 0.003 0.000 0.213 439 A C 0.930 178.492 177.584 -0.036 0.000 1.169 439 A CA -0.040 51.979 52.037 -0.031 0.000 0.724 439 A CB 0.040 19.028 19.000 -0.020 0.000 0.840 439 A HN 0.087 nan 8.150 nan 0.000 0.463 440 L N 1.452 122.648 121.223 -0.046 0.000 2.418 440 L HA 0.080 4.422 4.340 0.003 0.000 0.274 440 L C -0.005 176.825 176.870 -0.067 0.000 1.135 440 L CA -0.114 54.693 54.840 -0.054 0.000 0.870 440 L CB 0.629 42.651 42.059 -0.062 0.000 1.154 440 L HN 0.382 nan 8.230 nan 0.000 0.462 441 Q N 4.016 123.783 119.800 -0.055 0.000 2.678 441 Q HA 0.517 4.859 4.340 0.003 0.000 0.222 441 Q C -0.341 175.617 176.000 -0.070 0.000 1.281 441 Q CA -0.251 55.520 55.803 -0.054 0.000 0.994 441 Q CB 0.710 29.429 28.738 -0.032 0.000 1.452 441 Q HN 0.702 nan 8.270 nan 0.000 0.570 442 A N 0.055 122.811 122.820 -0.107 0.000 2.606 442 A HA 0.678 5.000 4.320 0.003 0.000 0.293 442 A C 0.648 178.107 177.584 -0.207 0.000 1.082 442 A CA -0.405 51.539 52.037 -0.155 0.000 0.685 442 A CB 1.058 19.945 19.000 -0.188 0.000 1.284 442 A HN 0.536 nan 8.150 nan 0.000 0.408 443 G N -0.335 108.307 108.800 -0.263 0.000 2.551 443 G HA2 0.368 4.330 3.960 0.003 0.000 0.216 443 G HA3 0.368 4.330 3.960 0.003 0.000 0.216 443 G C 0.241 174.875 174.900 -0.445 0.000 1.137 443 G CA 0.824 45.733 45.100 -0.318 0.000 0.798 443 G HN 0.582 nan 8.290 nan 0.000 0.536 444 I N 0.494 120.726 120.570 -0.563 0.000 2.499 444 I HA 0.385 4.557 4.170 0.003 0.000 0.288 444 I C -1.170 174.494 176.117 -0.755 0.000 1.048 444 I CA -0.887 59.947 61.300 -0.778 0.000 1.062 444 I CB 2.915 40.194 38.000 -1.201 0.000 1.238 444 I HN -0.312 nan 8.210 nan 0.000 0.426 445 V N 4.930 124.463 119.914 -0.636 0.000 2.444 445 V HA 0.391 4.513 4.120 0.003 0.000 0.294 445 V C -0.832 175.015 176.094 -0.412 0.000 1.022 445 V CA -0.507 61.535 62.300 -0.430 0.000 0.850 445 V CB 1.592 33.276 31.823 -0.231 0.000 0.992 445 V HN 0.578 nan 8.190 nan 0.000 0.426 446 W N 5.184 126.425 121.300 -0.098 0.000 2.390 446 W HA 0.630 5.291 4.660 0.003 0.000 0.312 446 W C -0.425 176.015 176.519 -0.131 0.000 1.123 446 W CA -0.882 56.393 57.345 -0.117 0.000 1.202 446 W CB 1.605 30.979 29.460 -0.144 0.000 1.251 446 W HN 0.385 nan 8.180 nan 0.000 0.511 447 I N 4.677 125.291 120.570 0.074 0.000 2.362 447 I HA 0.106 4.278 4.170 0.003 0.000 0.289 447 I C 0.239 176.301 176.117 -0.092 0.000 0.994 447 I CA -0.589 60.706 61.300 -0.009 0.000 1.158 447 I CB 1.051 39.040 38.000 -0.019 0.000 1.315 447 I HN 0.446 nan 8.210 nan 0.000 0.451 448 N N 3.509 122.133 118.700 -0.127 0.000 2.708 448 N HA -0.184 4.558 4.740 0.003 0.000 0.251 448 N C -0.531 174.628 175.510 -0.584 0.000 1.123 448 N CA 1.218 54.138 53.050 -0.217 0.000 0.739 448 N CB -1.175 37.244 38.487 -0.113 0.000 1.113 448 N HN 0.846 nan 8.380 nan 0.000 0.561 449 C N -4.041 114.810 119.300 -0.748 0.000 3.272 449 C HA 0.953 5.415 4.460 0.003 0.000 0.363 449 C C -1.059 173.414 174.990 -0.862 0.000 1.514 449 C CA -0.365 57.673 59.018 -1.632 0.000 1.185 449 C CB 1.648 28.337 27.740 -1.751 0.000 1.716 449 C HN 0.676 nan 8.230 nan 0.000 0.440 450 A N -0.021 122.254 122.820 -0.909 0.000 2.513 450 A HA 0.735 5.057 4.320 0.003 0.000 0.296 450 A C -0.257 176.812 177.584 -0.858 0.000 1.052 450 A CA 0.235 51.821 52.037 -0.752 0.000 0.714 450 A CB 1.165 20.013 19.000 -0.254 0.000 1.279 450 A HN 1.566 nan 8.150 nan 0.000 0.397 451 Q N -2.147 116.485 119.800 -1.946 0.000 5.280 451 Q HA -0.093 4.249 4.340 0.003 0.000 0.258 451 Q C -2.282 173.507 176.000 -0.350 0.000 0.840 451 Q CA 1.593 56.801 55.803 -0.992 0.000 0.910 451 Q CB -2.839 25.743 28.738 -0.259 0.000 0.615 451 Q HN 0.669 nan 8.270 nan 0.000 1.075 452 P HA 0.210 nan 4.420 nan 0.000 0.271 452 P C -0.426 176.860 177.300 -0.023 0.000 1.233 452 P CA 0.401 63.368 63.100 -0.220 0.000 0.764 452 P CB 0.715 32.178 31.700 -0.395 0.000 0.825 453 S N 3.305 118.918 115.700 -0.146 0.000 2.567 453 S HA 0.421 4.893 4.470 0.003 0.000 0.262 453 S C -0.190 174.292 174.600 -0.196 0.000 1.237 453 S CA -0.769 57.392 58.200 -0.065 0.000 1.093 453 S CB -0.814 62.170 63.200 -0.360 0.000 1.095 453 S HN 0.127 nan 8.310 nan 0.000 0.489 454 F N 1.457 121.446 119.950 0.066 0.000 2.529 454 F HA 0.288 4.817 4.527 0.003 0.000 0.365 454 F C 1.639 177.340 175.800 -0.165 0.000 1.102 454 F CA -0.703 57.277 58.000 -0.033 0.000 1.271 454 F CB 0.315 39.310 39.000 -0.008 0.000 1.120 454 F HN 0.405 nan 8.300 nan 0.000 0.579 455 I N 1.509 122.038 120.570 -0.069 0.000 3.001 455 I HA -0.191 3.981 4.170 0.003 0.000 0.268 455 I C 1.427 177.201 176.117 -0.570 0.000 1.267 455 I CA 0.868 61.941 61.300 -0.378 0.000 1.472 455 I CB -0.353 37.401 38.000 -0.411 0.000 1.089 455 I HN 0.678 nan 8.210 nan 0.000 0.468 456 Q N 0.573 120.174 119.800 -0.333 0.000 2.424 456 Q HA 0.262 4.604 4.340 0.003 0.000 0.204 456 Q C 0.509 176.498 176.000 -0.018 0.000 0.933 456 Q CA 0.208 55.871 55.803 -0.232 0.000 0.929 456 Q CB 0.364 29.046 28.738 -0.094 0.000 1.037 456 Q HN 0.422 nan 8.270 nan 0.000 0.511 457 A N 1.791 124.601 122.820 -0.016 0.000 2.318 457 A HA 0.584 4.906 4.320 0.003 0.000 0.324 457 A C -2.504 175.030 177.584 -0.083 0.000 1.170 457 A CA -1.915 50.114 52.037 -0.013 0.000 0.810 457 A CB 0.480 19.509 19.000 0.047 0.000 1.198 457 A HN -0.067 nan 8.150 nan 0.000 0.484 458 P HA 0.037 nan 4.420 nan 0.000 0.268 458 P C -0.843 176.347 177.300 -0.185 0.000 1.204 458 P CA 0.199 63.068 63.100 -0.384 0.000 0.768 458 P CB 0.494 31.482 31.700 -1.187 0.000 0.842 459 W N 4.202 125.337 121.300 -0.274 0.000 2.619 459 W HA 0.571 5.234 4.660 0.005 0.000 0.327 459 W C -0.945 175.508 176.519 -0.111 0.000 1.027 459 W CA -0.010 57.219 57.345 -0.194 0.000 1.233 459 W CB 2.363 31.703 29.460 -0.199 0.000 1.370 459 W HN 0.705 nan 8.180 nan 0.000 0.453 460 G N 2.006 110.555 108.800 -0.418 0.000 2.349 460 G HA2 0.465 4.427 3.960 0.003 0.000 0.294 460 G HA3 0.465 4.427 3.960 0.003 0.000 0.294 460 G C -1.451 173.252 174.900 -0.329 0.000 1.380 460 G CA -0.161 44.788 45.100 -0.252 0.000 0.811 460 G HN 0.703 nan 8.290 nan 0.000 0.519 461 G N -1.257 107.439 108.800 -0.173 0.000 2.735 461 G HA2 0.875 4.837 3.960 0.003 0.000 0.301 461 G HA3 0.875 4.837 3.960 0.003 0.000 0.301 461 G C -0.169 174.699 174.900 -0.053 0.000 1.279 461 G CA -0.247 44.769 45.100 -0.139 0.000 1.019 461 G HN 1.426 nan 8.290 nan 0.000 0.497 462 I N -3.509 117.042 120.570 -0.032 0.000 3.436 462 I HA 0.793 4.965 4.170 0.003 0.000 0.300 462 I C 0.361 176.509 176.117 0.051 0.000 1.131 462 I CA -1.105 60.207 61.300 0.020 0.000 1.001 462 I CB 1.769 39.763 38.000 -0.010 0.000 1.305 462 I HN 0.693 nan 8.210 nan 0.000 0.494 463 K N 0.018 120.456 120.400 0.064 0.000 1.987 463 K HA -0.254 4.068 4.320 0.003 0.000 0.206 463 K C 0.835 177.481 176.600 0.077 0.000 1.587 463 K CA 1.808 58.133 56.287 0.063 0.000 0.589 463 K CB -0.751 31.779 32.500 0.051 0.000 0.682 463 K HN 0.652 nan 8.250 nan 0.000 0.876 464 R N 0.792 121.317 120.500 0.042 0.000 2.323 464 R HA 0.067 4.409 4.340 0.003 0.000 0.198 464 R C 1.433 177.813 176.300 0.135 0.000 0.988 464 R CA 0.663 56.770 56.100 0.012 0.000 1.041 464 R CB 0.003 30.202 30.300 -0.169 0.000 0.926 464 R HN 0.280 nan 8.270 nan 0.000 0.476 465 S N -0.127 115.687 115.700 0.191 0.000 2.527 465 S HA 0.152 4.624 4.470 0.003 0.000 0.222 465 S C 0.883 175.520 174.600 0.061 0.000 0.985 465 S CA 0.580 58.891 58.200 0.185 0.000 0.921 465 S CB 0.624 63.898 63.200 0.123 0.000 0.772 465 S HN 0.684 nan 8.310 nan 0.000 0.529 466 G N 1.022 109.845 108.800 0.039 0.000 2.342 466 G HA2 0.145 4.107 3.960 0.003 0.000 0.220 466 G HA3 0.145 4.107 3.960 0.003 0.000 0.220 466 G C -1.102 173.806 174.900 0.013 0.000 1.243 466 G CA -0.503 44.537 45.100 -0.101 0.000 1.083 466 G HN 0.617 nan 8.290 nan 0.000 0.500 467 F N -2.248 117.728 119.950 0.042 0.000 2.741 467 F HA 0.809 5.337 4.527 0.001 0.000 0.313 467 F C 0.495 176.316 175.800 0.036 0.000 1.153 467 F CA -0.206 57.808 58.000 0.023 0.000 0.931 467 F CB 1.242 40.253 39.000 0.018 0.000 1.335 467 F HN 2.493 nan 8.300 nan 0.000 0.460 468 G N 1.451 110.432 108.800 0.301 0.000 2.705 468 G HA2 0.234 4.196 3.960 0.003 0.000 0.686 468 G HA3 0.234 4.196 3.960 0.003 0.000 0.686 468 G C -1.760 173.206 174.900 0.110 0.000 1.285 468 G CA -1.208 44.007 45.100 0.192 0.000 0.800 468 G HN 0.790 nan 8.290 nan 0.000 0.611 469 R N 0.898 121.470 120.500 0.120 0.000 2.534 469 R HA 0.536 4.878 4.340 0.003 0.000 0.301 469 R C 0.237 176.633 176.300 0.159 0.000 0.961 469 R CA -0.640 55.520 56.100 0.102 0.000 0.871 469 R CB 1.821 32.138 30.300 0.028 0.000 1.170 469 R HN 0.781 nan 8.270 nan 0.000 0.446 470 E N 1.907 122.204 120.200 0.162 0.000 2.259 470 E HA 0.581 4.933 4.350 0.003 0.000 0.257 470 E C -0.126 176.505 176.600 0.051 0.000 0.998 470 E CA -0.940 55.545 56.400 0.142 0.000 0.866 470 E CB 1.275 31.078 29.700 0.172 0.000 1.220 470 E HN 0.272 nan 8.360 nan 0.000 0.415 471 L N -0.486 120.717 121.223 -0.033 0.000 0.585 471 L HA -0.304 4.038 4.340 0.003 0.000 0.356 471 L C 0.828 177.820 176.870 0.205 0.000 0.973 471 L CA 0.765 55.560 54.840 -0.076 0.000 1.223 471 L CB -1.503 40.301 42.059 -0.425 0.000 0.012 471 L HN 1.022 nan 8.230 nan 0.000 0.091 472 G N 0.549 109.417 108.800 0.113 0.000 2.578 472 G HA2 -0.295 3.667 3.960 0.003 0.000 0.275 472 G HA3 -0.295 3.667 3.960 0.003 0.000 0.275 472 G C 0.484 175.675 174.900 0.485 0.000 1.271 472 G CA 0.682 45.963 45.100 0.301 0.000 0.941 472 G HN 0.902 nan 8.290 nan 0.000 0.564 473 E N -0.273 120.150 120.200 0.372 0.000 2.347 473 E HA -0.032 4.320 4.350 0.003 0.000 0.196 473 E C 2.084 178.722 176.600 0.063 0.000 1.008 473 E CA 0.836 57.303 56.400 0.113 0.000 0.852 473 E CB 0.037 29.630 29.700 -0.177 0.000 0.783 473 E HN 0.599 nan 8.360 nan 0.000 0.505 474 W N 0.691 122.070 121.300 0.132 0.000 2.381 474 W HA -0.033 4.629 4.660 0.003 0.000 0.301 474 W C 2.344 178.929 176.519 0.110 0.000 1.205 474 W CA 1.017 58.419 57.345 0.094 0.000 1.285 474 W CB -0.573 28.925 29.460 0.062 0.000 1.133 474 W HN 0.180 nan 8.180 nan 0.000 0.521 475 G N 0.849 109.894 108.800 0.408 0.000 2.442 475 G HA2 -0.252 3.710 3.960 0.003 0.000 0.219 475 G HA3 -0.252 3.710 3.960 0.003 0.000 0.219 475 G C 1.593 176.671 174.900 0.297 0.000 1.141 475 G CA 0.610 45.898 45.100 0.313 0.000 0.763 475 G HN 0.126 nan 8.290 nan 0.000 0.554 476 L N 0.018 121.446 121.223 0.340 0.000 2.017 476 L HA -0.043 4.299 4.340 0.003 0.000 0.208 476 L C 2.919 179.901 176.870 0.186 0.000 1.073 476 L CA 1.330 56.334 54.840 0.273 0.000 0.745 476 L CB -0.261 41.956 42.059 0.264 0.000 0.894 476 L HN 0.196 nan 8.230 nan 0.000 0.432 477 E N -0.144 120.121 120.200 0.108 0.000 2.160 477 E HA -0.258 4.094 4.350 0.003 0.000 0.195 477 E C 1.747 178.352 176.600 0.007 0.000 0.991 477 E CA 0.960 57.383 56.400 0.039 0.000 0.810 477 E CB -0.479 29.212 29.700 -0.016 0.000 0.742 477 E HN 0.439 nan 8.360 nan 0.000 0.466 478 N N -0.136 118.536 118.700 -0.046 0.000 2.348 478 N HA -0.179 4.563 4.740 0.003 0.000 0.185 478 N C 0.629 175.808 175.510 -0.551 0.000 1.019 478 N CA 0.998 53.865 53.050 -0.306 0.000 0.880 478 N CB -0.070 38.148 38.487 -0.448 0.000 0.965 478 N HN 0.233 nan 8.380 nan 0.000 0.437 479 Y N -1.269 119.072 120.300 0.068 0.000 2.557 479 Y HA 0.395 4.948 4.550 0.004 0.000 0.247 479 Y C -0.098 175.836 175.900 0.056 0.000 1.164 479 Y CA -0.493 57.644 58.100 0.061 0.000 1.218 479 Y CB 0.592 39.084 38.460 0.053 0.000 1.210 479 Y HN -0.126 nan 8.280 nan 0.000 0.529 480 L N 0.584 121.879 121.223 0.121 0.000 2.334 480 L HA 0.595 4.937 4.340 0.003 0.000 0.272 480 L C 0.094 176.995 176.870 0.052 0.000 1.020 480 L CA -0.864 54.027 54.840 0.086 0.000 0.812 480 L CB 1.828 43.927 42.059 0.066 0.000 1.264 480 L HN -0.007 nan 8.230 nan 0.000 0.439 481 S N 0.620 116.348 115.700 0.048 0.000 2.566 481 S HA 0.740 5.212 4.470 0.003 0.000 0.298 481 S C -0.735 173.880 174.600 0.025 0.000 1.083 481 S CA -0.834 57.386 58.200 0.032 0.000 0.978 481 S CB 1.985 65.205 63.200 0.034 0.000 1.073 481 S HN 0.207 nan 8.310 nan 0.000 0.491 482 V N 2.057 121.980 119.914 0.015 0.000 2.465 482 V HA 0.517 4.638 4.120 0.003 0.000 0.279 482 V C 0.159 176.257 176.094 0.007 0.000 1.045 482 V CA -0.553 61.754 62.300 0.011 0.000 0.938 482 V CB 1.140 32.964 31.823 0.003 0.000 0.986 482 V HN 0.966 nan 8.190 nan 0.000 0.467 483 K N 4.136 124.542 120.400 0.010 0.000 2.358 483 K HA 0.400 4.722 4.320 0.003 0.000 0.260 483 K C -0.452 176.134 176.600 -0.023 0.000 0.956 483 K CA -0.562 55.723 56.287 -0.003 0.000 0.834 483 K CB 1.499 34.004 32.500 0.009 0.000 1.102 483 K HN 0.807 nan 8.250 nan 0.000 0.431 484 Q N 3.765 123.535 119.800 -0.050 0.000 2.279 484 Q HA 0.250 4.592 4.340 0.003 0.000 0.256 484 Q C -1.326 174.584 176.000 -0.149 0.000 0.937 484 Q CA -0.591 55.159 55.803 -0.088 0.000 0.933 484 Q CB 1.225 29.916 28.738 -0.078 0.000 1.189 484 Q HN 0.382 nan 8.270 nan 0.000 0.417 485 V N 4.270 124.014 119.914 -0.283 0.000 2.378 485 V HA 0.401 4.523 4.120 0.003 0.000 0.288 485 V C -0.496 175.348 176.094 -0.418 0.000 1.016 485 V CA -0.547 61.502 62.300 -0.419 0.000 0.840 485 V CB 1.760 33.149 31.823 -0.724 0.000 0.994 485 V HN 0.837 nan 8.190 nan 0.000 0.431 486 T N 5.599 120.026 114.554 -0.212 0.000 2.841 486 T HA 0.539 4.891 4.350 0.003 0.000 0.285 486 T C -0.445 174.265 174.700 0.017 0.000 0.991 486 T CA -0.556 61.495 62.100 -0.082 0.000 0.966 486 T CB 1.633 70.473 68.868 -0.047 0.000 0.962 486 T HN 0.616 nan 8.240 nan 0.000 0.438 487 R N 2.064 122.617 120.500 0.088 0.000 2.494 487 R HA 0.411 4.753 4.340 0.003 0.000 0.305 487 R C -1.450 174.927 176.300 0.129 0.000 0.959 487 R CA -0.783 55.373 56.100 0.093 0.000 0.864 487 R CB 1.076 31.404 30.300 0.047 0.000 1.159 487 R HN 0.606 nan 8.270 nan 0.000 0.446 488 Y N 2.910 123.133 120.300 -0.129 0.000 2.436 488 Y HA 0.114 4.666 4.550 0.003 0.000 0.336 488 Y C 0.464 176.195 175.900 -0.283 0.000 1.049 488 Y CA 0.699 58.538 58.100 -0.436 0.000 1.294 488 Y CB 1.536 39.755 38.460 -0.401 0.000 1.179 488 Y HN 0.666 nan 8.280 nan 0.000 0.520 489 T N 2.489 116.642 114.554 -0.669 0.000 3.021 489 T HA -0.004 4.348 4.350 0.003 0.000 0.245 489 T C 0.646 175.011 174.700 -0.559 0.000 1.028 489 T CA 0.615 62.445 62.100 -0.450 0.000 1.139 489 T CB -0.081 68.633 68.868 -0.256 0.000 0.884 489 T HN 0.575 nan 8.240 nan 0.000 0.457 490 S N 1.180 116.367 115.700 -0.855 0.000 2.576 490 S HA -0.012 4.460 4.470 0.003 0.000 0.272 490 S C 0.729 175.052 174.600 -0.462 0.000 1.352 490 S CA -0.268 57.583 58.200 -0.581 0.000 1.021 490 S CB 0.257 63.170 63.200 -0.478 0.000 0.887 490 S HN 0.242 nan 8.310 nan 0.000 0.542 491 D N 0.954 121.236 120.400 -0.196 0.000 2.339 491 D HA 0.115 4.757 4.640 0.003 0.000 0.217 491 D C -0.127 176.185 176.300 0.019 0.000 1.050 491 D CA 0.181 54.136 54.000 -0.074 0.000 0.856 491 D CB 0.229 41.003 40.800 -0.044 0.000 0.922 491 D HN 0.473 nan 8.370 nan 0.000 0.518 492 E N 1.858 122.084 120.200 0.042 0.000 2.392 492 E HA 0.125 4.477 4.350 0.003 0.000 0.264 492 E C -2.109 174.649 176.600 0.263 0.000 1.024 492 E CA -1.565 54.918 56.400 0.138 0.000 0.903 492 E CB 0.574 30.359 29.700 0.142 0.000 0.963 492 E HN 0.068 nan 8.360 nan 0.000 0.432 493 P HA -0.088 nan 4.420 nan 0.000 0.268 493 P C 0.570 178.063 177.300 0.322 0.000 1.205 493 P CA -0.108 63.140 63.100 0.246 0.000 0.771 493 P CB 0.488 32.286 31.700 0.163 0.000 0.858 494 W N 3.648 125.010 121.300 0.103 0.000 2.321 494 W HA -0.152 4.509 4.660 0.003 0.000 0.306 494 W C 0.921 177.514 176.519 0.124 0.000 1.217 494 W CA 1.427 58.810 57.345 0.064 0.000 1.257 494 W CB -0.350 29.106 29.460 -0.008 0.000 1.145 494 W HN 0.706 nan 8.180 nan 0.000 0.509 495 G N 0.223 109.092 108.800 0.115 0.000 2.246 495 G HA2 -0.358 3.604 3.960 0.003 0.000 0.273 495 G HA3 -0.358 3.604 3.960 0.003 0.000 0.273 495 G C 0.198 175.034 174.900 -0.106 0.000 1.055 495 G CA 0.196 45.290 45.100 -0.010 0.000 0.851 495 G HN 0.610 nan 8.290 nan 0.000 0.500 496 W N -0.721 120.406 121.300 -0.288 0.000 2.580 496 W HA 0.291 4.953 4.660 0.004 0.000 0.287 496 W C 0.203 176.548 176.519 -0.291 0.000 1.175 496 W CA 0.609 57.727 57.345 -0.379 0.000 1.409 496 W CB 0.384 29.565 29.460 -0.465 0.000 1.101 496 W HN 0.191 nan 8.180 nan 0.000 0.558 497 Y N 2.220 122.536 120.300 0.027 0.000 2.374 497 Y HA 0.204 4.755 4.550 0.003 0.000 0.322 497 Y C 0.572 176.434 175.900 -0.063 0.000 1.275 497 Y CA -0.247 57.818 58.100 -0.057 0.000 1.307 497 Y CB 0.282 38.803 38.460 0.101 0.000 1.282 497 Y HN -0.223 nan 8.280 nan 0.000 0.509 498 Q N 2.698 122.569 119.800 0.119 0.000 2.307 498 Q HA 0.273 4.615 4.340 0.003 0.000 0.259 498 Q C -2.276 173.763 176.000 0.064 0.000 0.998 498 Q CA -1.883 53.947 55.803 0.045 0.000 0.923 498 Q CB 0.185 28.927 28.738 0.008 0.000 1.196 498 Q HN 0.375 nan 8.270 nan 0.000 0.416 499 P HA 0.121 nan 4.420 nan 0.000 0.268 499 P C -2.117 175.200 177.300 0.028 0.000 1.205 499 P CA -0.746 62.384 63.100 0.049 0.000 0.771 499 P CB -0.191 31.537 31.700 0.046 0.000 0.858 500 P HA 0.096 nan 4.420 nan 0.000 0.272 500 P C -0.580 176.727 177.300 0.011 0.000 1.240 500 P CA -0.245 62.862 63.100 0.011 0.000 0.791 500 P CB 0.537 32.242 31.700 0.007 0.000 0.978 501 S N 0.811 116.516 115.700 0.007 0.000 2.510 501 S HA 0.091 4.563 4.470 0.003 0.000 0.279 501 S C 0.497 175.101 174.600 0.007 0.000 1.284 501 S CA -0.449 57.755 58.200 0.006 0.000 1.059 501 S CB 0.365 63.567 63.200 0.003 0.000 0.901 501 S HN 0.374 nan 8.310 nan 0.000 0.491 502 K N 0.000 120.405 120.400 0.008 0.000 2.780 502 K HA 0.000 4.322 4.320 0.003 0.000 0.191 502 K CA 0.000 56.292 56.287 0.009 0.000 0.838 502 K CB 0.000 32.506 32.500 0.010 0.000 1.064 502 K HN 0.000 nan 8.250 nan 0.000 0.543