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 3dvl_1_F DATA FIRST_RESID 14 DATA SEQUENCE EHQAIAKMRT MIEGFDDISH GGLPIGRSTL VSGTSGTGKT LFSIQFLYNG DATA SEQUENCE IIEFDEPGVF VTFEETPQDI IKNARSFGWD LAKLVDEGKL FILDASPDPE DATA SEQUENCE GQEVVGGFDL SALIERINYA IQKYRARRVS IDSVTSVFQQ YDASSVVRRE DATA SEQUENCE LFRLVARLKQ IGATTVMTTE RIEEYGPIAR YGVEEFVSDN VVILRNVLEG DATA SEQUENCE ERRRRTLEIL KLRGTSHMKG EYPFTITDHG INIFPLGAMR LTQRSSNVRV DATA SEQUENCE SSGVVRLDEM CGGGFFKDSI ILATGATGTG KTLLVSRFVE NACANKERAI DATA SEQUENCE LFAYEESRAQ LLRNAYSWGM DFEEMERQNL LKIVCAYPES AGLEDHLQII DATA SEQUENCE KSEINDFKPA RIAIDSLSAL ARGVSNNAFR QFVIGVTGYA KQEEITGLFT DATA SEQUENCE NTSDQFMGAH SITDSHIXXI TDTIILLQYV EIRGEMSRAI NVFKMRGSWH DATA SEQUENCE DKAIREFMIS DKGPDIKDSF RNFERIISGS PTRITVDEKS ELSRIVRGVQ DATA SEQUENCE EKGPES 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 14 E HA 0.000 nan 4.350 nan 0.000 0.291 14 E C 0.000 176.669 176.600 0.115 0.000 1.382 14 E CA 0.000 56.431 56.400 0.052 0.000 0.976 14 E CB 0.000 29.720 29.700 0.034 0.000 0.812 15 H N 4.238 123.304 119.070 -0.006 0.000 3.092 15 H HA 0.397 4.953 4.556 -0.000 0.000 0.263 15 H C -0.813 174.521 175.328 0.010 0.000 1.611 15 H CA 0.639 56.688 56.048 0.001 0.000 1.457 15 H CB 0.107 29.868 29.762 -0.003 0.000 1.731 15 H HN 0.285 nan 8.280 nan 0.000 0.532 16 Q N 2.111 121.911 119.800 -0.000 0.000 2.284 16 Q HA 0.374 4.714 4.340 -0.000 0.000 0.269 16 Q C 0.073 176.049 176.000 -0.039 0.000 1.026 16 Q CA -0.501 55.292 55.803 -0.017 0.000 0.831 16 Q CB 2.200 30.959 28.738 0.034 0.000 1.322 16 Q HN 0.562 nan 8.270 nan 0.000 0.419 17 A N 2.464 125.251 122.820 -0.055 0.000 2.209 17 A HA 0.072 4.392 4.320 -0.000 0.000 0.212 17 A C 0.625 178.203 177.584 -0.009 0.000 1.158 17 A CA 0.818 52.830 52.037 -0.042 0.000 0.742 17 A CB 0.217 19.188 19.000 -0.048 0.000 0.790 17 A HN 0.491 nan 8.150 nan 0.000 0.472 18 I N 0.056 120.629 120.570 0.004 0.000 2.406 18 I HA 0.449 4.619 4.170 -0.000 0.000 0.290 18 I C 0.481 176.608 176.117 0.017 0.000 0.999 18 I CA -1.200 60.108 61.300 0.013 0.000 1.124 18 I CB 0.772 38.783 38.000 0.019 0.000 1.289 18 I HN 0.131 nan 8.210 nan 0.000 0.441 19 A N 7.427 130.254 122.820 0.012 0.000 2.492 19 A HA 0.372 4.692 4.320 -0.000 0.000 0.254 19 A C 0.266 177.858 177.584 0.013 0.000 1.091 19 A CA -0.077 51.965 52.037 0.008 0.000 0.768 19 A CB 0.102 19.102 19.000 -0.000 0.000 1.028 19 A HN 0.736 nan 8.150 nan 0.000 0.498 20 K N 1.348 121.757 120.400 0.015 0.000 2.238 20 K HA 0.647 4.967 4.320 -0.000 0.000 0.239 20 K C -0.585 176.016 176.600 0.002 0.000 0.987 20 K CA -0.559 55.744 56.287 0.027 0.000 0.857 20 K CB 2.100 34.630 32.500 0.050 0.000 1.154 20 K HN 0.807 nan 8.250 nan 0.000 0.439 21 M N 1.611 121.224 119.600 0.023 0.000 2.311 21 M HA 0.344 4.824 4.480 -0.000 0.000 0.325 21 M C -0.917 175.408 176.300 0.041 0.000 1.061 21 M CA -0.514 54.771 55.300 -0.025 0.000 0.957 21 M CB 1.285 33.904 32.600 0.031 0.000 1.646 21 M HN 0.409 nan 8.290 nan 0.000 0.434 22 R N 2.097 122.583 120.500 -0.023 0.000 2.491 22 R HA 0.189 4.529 4.340 -0.000 0.000 0.283 22 R C 0.977 177.414 176.300 0.229 0.000 1.072 22 R CA 0.404 56.584 56.100 0.134 0.000 1.048 22 R CB 0.691 31.105 30.300 0.190 0.000 0.983 22 R HN 0.868 nan 8.270 nan 0.000 0.450 23 T N -0.806 113.889 114.554 0.235 0.000 3.044 23 T HA 0.003 4.353 4.350 -0.000 0.000 0.255 23 T C 1.154 175.915 174.700 0.102 0.000 1.073 23 T CA -0.042 62.171 62.100 0.188 0.000 1.125 23 T CB 0.271 69.165 68.868 0.043 0.000 0.908 23 T HN 0.554 nan 8.240 nan 0.000 0.480 24 M N -0.527 119.149 119.600 0.127 0.000 2.939 24 M HA -0.119 4.361 4.480 -0.000 0.000 0.194 24 M C -0.217 176.093 176.300 0.016 0.000 0.617 24 M CA 0.312 55.652 55.300 0.067 0.000 0.734 24 M CB -2.609 30.000 32.600 0.015 0.000 2.637 24 M HN 0.450 nan 8.290 nan 0.000 0.316 25 I N 1.287 121.856 120.570 -0.002 0.000 2.471 25 I HA 0.035 4.205 4.170 -0.000 0.000 0.286 25 I C 1.363 177.502 176.117 0.036 0.000 1.079 25 I CA 0.005 61.279 61.300 -0.043 0.000 1.398 25 I CB 0.542 38.430 38.000 -0.186 0.000 1.403 25 I HN 0.059 nan 8.210 nan 0.000 0.530 26 E N 5.540 125.745 120.200 0.008 0.000 2.614 26 E HA -0.044 4.306 4.350 -0.000 0.000 0.245 26 E C 1.072 177.660 176.600 -0.021 0.000 1.039 26 E CA 1.129 57.525 56.400 -0.007 0.000 0.948 26 E CB 0.272 29.950 29.700 -0.037 0.000 0.937 26 E HN 0.970 nan 8.360 nan 0.000 0.498 27 G N 4.654 113.455 108.800 0.002 0.000 2.284 27 G HA2 -0.370 3.590 3.960 -0.000 0.000 0.230 27 G HA3 -0.370 3.590 3.960 -0.000 0.000 0.230 27 G C 0.657 175.565 174.900 0.013 0.000 1.021 27 G CA 0.251 45.340 45.100 -0.019 0.000 0.619 27 G HN 0.602 nan 8.290 nan 0.000 0.510 28 F N 2.370 122.299 119.950 -0.034 0.000 2.134 28 F HA 0.059 4.586 4.527 -0.000 0.000 0.299 28 F C 2.278 178.088 175.800 0.016 0.000 1.097 28 F CA 2.362 60.364 58.000 0.003 0.000 1.264 28 F CB -0.007 39.028 39.000 0.058 0.000 1.001 28 F HN 0.204 nan 8.300 nan 0.000 0.479 29 D N 0.015 120.486 120.400 0.119 0.000 2.264 29 D HA -0.171 4.469 4.640 -0.000 0.000 0.208 29 D C 1.676 177.959 176.300 -0.028 0.000 0.966 29 D CA 1.269 55.301 54.000 0.053 0.000 0.864 29 D CB -0.371 40.502 40.800 0.120 0.000 0.933 29 D HN 0.495 nan 8.370 nan 0.000 0.499 30 D N 0.700 121.071 120.400 -0.050 0.000 2.120 30 D HA -0.033 4.607 4.640 -0.000 0.000 0.202 30 D C 2.409 178.680 176.300 -0.048 0.000 0.972 30 D CA 0.329 54.308 54.000 -0.034 0.000 0.837 30 D CB 0.193 40.964 40.800 -0.049 0.000 0.989 30 D HN 0.240 nan 8.370 nan 0.000 0.469 31 I N 1.691 122.121 120.570 -0.232 0.000 2.163 31 I HA -0.239 3.931 4.170 -0.000 0.000 0.243 31 I C 2.306 178.223 176.117 -0.333 0.000 1.085 31 I CA 1.207 62.298 61.300 -0.348 0.000 1.347 31 I CB -0.239 37.470 38.000 -0.485 0.000 1.044 31 I HN -0.024 nan 8.210 nan 0.000 0.408 32 S N -1.094 114.330 115.700 -0.459 0.000 2.701 32 S HA -0.051 4.419 4.470 -0.000 0.000 0.220 32 S C 0.521 175.095 174.600 -0.045 0.000 0.954 32 S CA -0.195 57.797 58.200 -0.346 0.000 0.936 32 S CB -0.536 62.367 63.200 -0.495 0.000 0.777 32 S HN 0.475 nan 8.310 nan 0.000 0.518 33 H N 0.664 119.677 119.070 -0.094 0.000 2.626 33 H HA -0.141 4.415 4.556 -0.000 0.000 0.317 33 H C 1.329 176.646 175.328 -0.019 0.000 1.140 33 H CA 0.887 56.911 56.048 -0.040 0.000 1.134 33 H CB -1.744 28.013 29.762 -0.009 0.000 1.486 33 H HN 0.850 nan 8.280 nan 0.000 0.417 34 G N -2.964 105.888 108.800 0.087 0.000 2.480 34 G HA2 0.319 4.279 3.960 -0.000 0.000 0.193 34 G HA3 0.319 4.279 3.960 -0.000 0.000 0.193 34 G C 0.811 175.764 174.900 0.088 0.000 1.004 34 G CA 0.666 45.809 45.100 0.071 0.000 0.696 34 G HN 1.642 nan 8.290 nan 0.000 0.478 35 G N -0.859 108.006 108.800 0.108 0.000 2.331 35 G HA2 0.328 4.288 3.960 -0.000 0.000 0.402 35 G HA3 0.328 4.288 3.960 -0.000 0.000 0.402 35 G C -0.574 174.441 174.900 0.192 0.000 1.275 35 G CA -0.420 44.801 45.100 0.202 0.000 1.003 35 G HN 1.021 nan 8.290 nan 0.000 0.500 36 L N 1.377 122.727 121.223 0.212 0.000 2.367 36 L HA 0.336 4.676 4.340 -0.000 0.000 0.275 36 L C -1.911 175.007 176.870 0.081 0.000 1.129 36 L CA -1.493 53.428 54.840 0.135 0.000 0.839 36 L CB 0.951 43.041 42.059 0.052 0.000 1.133 36 L HN 0.227 nan 8.230 nan 0.000 0.453 37 P HA 0.009 nan 4.420 nan 0.000 0.262 37 P C -0.401 176.921 177.300 0.038 0.000 1.182 37 P CA 0.152 63.275 63.100 0.037 0.000 0.761 37 P CB 0.412 32.127 31.700 0.025 0.000 0.795 38 I N 2.270 122.859 120.570 0.032 0.000 2.696 38 I HA 0.241 4.411 4.170 -0.000 0.000 0.284 38 I C 1.724 177.857 176.117 0.026 0.000 1.129 38 I CA 1.143 62.462 61.300 0.032 0.000 1.410 38 I CB -0.308 37.700 38.000 0.013 0.000 1.399 38 I HN 0.683 nan 8.210 nan 0.000 0.579 39 G N 3.822 112.640 108.800 0.031 0.000 2.184 39 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.264 39 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.264 39 G C 0.464 175.376 174.900 0.019 0.000 0.975 39 G CA 0.007 45.120 45.100 0.022 0.000 0.642 39 G HN 0.587 nan 8.290 nan 0.000 0.536 40 R N -0.421 120.092 120.500 0.021 0.000 2.960 40 R HA 0.758 5.098 4.340 -0.000 0.000 0.249 40 R C -0.172 176.131 176.300 0.006 0.000 1.192 40 R CA -0.103 56.005 56.100 0.012 0.000 1.035 40 R CB 1.502 31.809 30.300 0.012 0.000 1.234 40 R HN 0.466 nan 8.270 nan 0.000 0.493 41 S N -0.521 115.177 115.700 -0.004 0.000 2.536 41 S HA 0.527 4.997 4.470 -0.000 0.000 0.298 41 S C -0.698 173.882 174.600 -0.033 0.000 1.083 41 S CA -0.740 57.450 58.200 -0.017 0.000 0.995 41 S CB 2.094 65.290 63.200 -0.008 0.000 1.058 41 S HN 0.437 nan 8.310 nan 0.000 0.488 42 T N 3.083 117.599 114.554 -0.064 0.000 2.786 42 T HA 0.434 4.784 4.350 -0.000 0.000 0.283 42 T C -0.533 174.112 174.700 -0.091 0.000 0.992 42 T CA -0.473 61.578 62.100 -0.081 0.000 0.954 42 T CB 0.948 69.749 68.868 -0.111 0.000 0.934 42 T HN 0.631 nan 8.240 nan 0.000 0.440 43 L N 4.989 126.165 121.223 -0.079 0.000 2.367 43 L HA 0.526 4.866 4.340 -0.000 0.000 0.275 43 L C -0.759 176.038 176.870 -0.122 0.000 1.129 43 L CA 0.090 54.887 54.840 -0.073 0.000 0.839 43 L CB 0.572 42.599 42.059 -0.054 0.000 1.133 43 L HN 0.438 nan 8.230 nan 0.000 0.453 44 V N 5.201 125.036 119.914 -0.131 0.000 2.349 44 V HA 0.527 4.647 4.120 -0.000 0.000 0.284 44 V C -0.163 175.857 176.094 -0.123 0.000 1.014 44 V CA -0.241 61.934 62.300 -0.208 0.000 0.826 44 V CB 1.229 32.853 31.823 -0.332 0.000 1.009 44 V HN 0.904 nan 8.190 nan 0.000 0.431 45 S N 4.021 119.660 115.700 -0.102 0.000 2.566 45 S HA 1.008 5.477 4.470 -0.000 0.000 0.298 45 S C -0.257 174.316 174.600 -0.045 0.000 1.083 45 S CA 0.175 58.343 58.200 -0.054 0.000 0.978 45 S CB 2.323 65.503 63.200 -0.034 0.000 1.073 45 S HN 1.293 nan 8.310 nan 0.000 0.491 46 G N 0.982 109.769 108.800 -0.022 0.000 2.495 46 G HA2 0.524 4.484 3.960 -0.000 0.000 0.294 46 G HA3 0.524 4.484 3.960 -0.000 0.000 0.294 46 G C -0.362 174.532 174.900 -0.010 0.000 1.397 46 G CA -0.053 45.036 45.100 -0.019 0.000 0.790 46 G HN 1.196 nan 8.290 nan 0.000 0.486 47 T N -1.698 112.845 114.554 -0.019 0.000 2.698 47 T HA 0.523 4.873 4.350 -0.000 0.000 0.295 47 T C 1.098 175.803 174.700 0.007 0.000 1.007 47 T CA 0.530 62.621 62.100 -0.014 0.000 0.980 47 T CB 1.021 69.872 68.868 -0.029 0.000 1.036 47 T HN 1.366 nan 8.240 nan 0.000 0.526 48 S N -0.452 115.253 115.700 0.009 0.000 2.549 48 S HA 0.408 4.878 4.470 -0.000 0.000 0.286 48 S C 1.605 176.221 174.600 0.027 0.000 1.314 48 S CA 0.497 58.710 58.200 0.022 0.000 1.062 48 S CB -1.023 62.187 63.200 0.017 0.000 0.865 48 S HN 2.085 nan 8.310 nan 0.000 0.498 49 G N 3.341 112.168 108.800 0.044 0.000 2.155 49 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.257 49 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.257 49 G C 0.686 175.625 174.900 0.065 0.000 0.983 49 G CA 0.916 46.047 45.100 0.052 0.000 0.676 49 G HN 1.276 nan 8.290 nan 0.000 0.528 50 T N -2.354 112.244 114.554 0.074 0.000 3.088 50 T HA 0.408 4.758 4.350 -0.000 0.000 0.259 50 T C 2.224 177.046 174.700 0.203 0.000 1.122 50 T CA 1.500 63.663 62.100 0.106 0.000 1.095 50 T CB 0.335 69.254 68.868 0.085 0.000 0.930 50 T HN 2.139 nan 8.240 nan 0.000 0.508 51 G N 1.229 110.137 108.800 0.181 0.000 2.154 51 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.186 51 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.186 51 G C 0.713 175.725 174.900 0.186 0.000 1.000 51 G CA 0.181 45.413 45.100 0.220 0.000 0.664 51 G HN 0.485 nan 8.290 nan 0.000 0.513 52 K N 0.074 120.557 120.400 0.138 0.000 2.001 52 K HA -0.090 4.230 4.320 -0.000 0.000 0.214 52 K C 2.661 179.372 176.600 0.186 0.000 1.050 52 K CA 2.230 58.587 56.287 0.116 0.000 0.934 52 K CB -0.467 32.081 32.500 0.080 0.000 0.718 52 K HN 0.348 nan 8.250 nan 0.000 0.443 53 T N 2.068 116.734 114.554 0.186 0.000 2.684 53 T HA -0.170 4.180 4.350 -0.000 0.000 0.267 53 T C 1.748 176.585 174.700 0.229 0.000 1.036 53 T CA 1.359 63.600 62.100 0.235 0.000 1.148 53 T CB -0.334 68.661 68.868 0.212 0.000 0.863 53 T HN 0.091 nan 8.240 nan 0.000 0.436 54 L N 0.668 122.006 121.223 0.191 0.000 2.042 54 L HA 0.022 4.362 4.340 -0.000 0.000 0.210 54 L C 2.048 178.990 176.870 0.119 0.000 1.076 54 L CA 1.559 56.481 54.840 0.137 0.000 0.749 54 L CB -1.075 41.019 42.059 0.059 0.000 0.893 54 L HN 0.247 nan 8.230 nan 0.000 0.432 55 F N 0.252 120.203 119.950 0.000 0.000 2.069 55 F HA -0.293 4.234 4.527 -0.000 0.000 0.298 55 F C 2.803 178.607 175.800 0.008 0.000 1.113 55 F CA 2.194 60.154 58.000 -0.066 0.000 1.214 55 F CB -0.526 38.390 39.000 -0.141 0.000 0.978 55 F HN 0.344 nan 8.300 nan 0.000 0.474 56 S N 0.287 116.170 115.700 0.306 0.000 2.402 56 S HA -0.155 4.315 4.470 -0.000 0.000 0.229 56 S C 2.042 176.829 174.600 0.312 0.000 1.021 56 S CA 1.211 59.607 58.200 0.327 0.000 0.974 56 S CB -0.843 62.566 63.200 0.348 0.000 0.800 56 S HN 0.345 nan 8.310 nan 0.000 0.484 57 I N 2.023 122.722 120.570 0.215 0.000 2.233 57 I HA -0.100 4.070 4.170 -0.000 0.000 0.243 57 I C 2.906 178.984 176.117 -0.065 0.000 1.093 57 I CA 1.389 62.735 61.300 0.077 0.000 1.380 57 I CB -1.542 36.480 38.000 0.037 0.000 1.067 57 I HN 0.455 nan 8.210 nan 0.000 0.413 58 Q N -0.017 119.691 119.800 -0.152 0.000 2.197 58 Q HA -0.269 4.071 4.340 -0.000 0.000 0.207 58 Q C 2.240 178.102 176.000 -0.230 0.000 0.984 58 Q CA 1.736 57.332 55.803 -0.346 0.000 0.869 58 Q CB -0.228 28.323 28.738 -0.312 0.000 0.906 58 Q HN 0.412 nan 8.270 nan 0.000 0.426 59 F N 0.309 120.068 119.950 -0.319 0.000 2.146 59 F HA -0.161 4.366 4.527 -0.000 0.000 0.298 59 F C 1.462 177.190 175.800 -0.121 0.000 1.096 59 F CA 1.302 59.145 58.000 -0.262 0.000 1.275 59 F CB -0.179 38.668 39.000 -0.255 0.000 1.008 59 F HN 0.028 nan 8.300 nan 0.000 0.480 60 L N -1.368 119.683 121.223 -0.286 0.000 2.068 60 L HA -0.180 4.160 4.340 -0.000 0.000 0.204 60 L C 2.377 179.101 176.870 -0.243 0.000 1.076 60 L CA 1.396 56.047 54.840 -0.315 0.000 0.753 60 L CB -1.137 40.882 42.059 -0.067 0.000 0.910 60 L HN 0.191 nan 8.230 nan 0.000 0.439 61 Y N 1.757 121.849 120.300 -0.346 0.000 2.049 61 Y HA -0.306 4.244 4.550 -0.000 0.000 0.277 61 Y C 2.511 178.177 175.900 -0.391 0.000 1.143 61 Y CA 2.044 59.897 58.100 -0.411 0.000 1.115 61 Y CB -0.273 37.787 38.460 -0.666 0.000 0.975 61 Y HN 0.182 nan 8.280 nan 0.000 0.487 62 N N 0.187 118.732 118.700 -0.259 0.000 2.137 62 N HA -0.171 4.569 4.740 -0.000 0.000 0.190 62 N C 1.987 177.330 175.510 -0.279 0.000 1.017 62 N CA 1.459 54.340 53.050 -0.280 0.000 0.859 62 N CB -1.128 37.261 38.487 -0.164 0.000 1.002 62 N HN 0.588 nan 8.380 nan 0.000 0.428 63 G N 0.603 109.255 108.800 -0.246 0.000 2.442 63 G HA2 -0.187 3.773 3.960 -0.000 0.000 0.219 63 G HA3 -0.187 3.773 3.960 -0.000 0.000 0.219 63 G C 1.593 176.407 174.900 -0.143 0.000 1.141 63 G CA 0.544 45.563 45.100 -0.134 0.000 0.763 63 G HN 0.298 nan 8.290 nan 0.000 0.554 64 I N 0.483 120.893 120.570 -0.267 0.000 2.235 64 I HA -0.043 4.127 4.170 -0.000 0.000 0.241 64 I C 2.238 178.165 176.117 -0.317 0.000 1.085 64 I CA 0.408 61.554 61.300 -0.255 0.000 1.378 64 I CB -0.033 37.801 38.000 -0.277 0.000 1.076 64 I HN 0.031 nan 8.210 nan 0.000 0.415 65 I N 0.437 120.709 120.570 -0.496 0.000 2.830 65 I HA -0.150 4.020 4.170 -0.000 0.000 0.263 65 I C 1.966 177.844 176.117 -0.399 0.000 1.230 65 I CA 1.446 62.464 61.300 -0.470 0.000 1.480 65 I CB -1.003 36.607 38.000 -0.651 0.000 1.095 65 I HN 0.328 nan 8.210 nan 0.000 0.455 66 E N -1.407 118.501 120.200 -0.486 0.000 2.514 66 E HA 0.167 4.517 4.350 -0.000 0.000 0.215 66 E C 0.940 177.031 176.600 -0.849 0.000 0.946 66 E CA 0.288 56.252 56.400 -0.725 0.000 1.038 66 E CB 0.639 29.681 29.700 -1.097 0.000 1.069 66 E HN 0.412 nan 8.360 nan 0.000 0.503 67 F N -0.087 119.787 119.950 -0.127 0.000 2.915 67 F HA 0.138 4.665 4.527 -0.000 0.000 0.347 67 F C 0.015 175.759 175.800 -0.093 0.000 1.104 67 F CA -0.452 57.490 58.000 -0.096 0.000 1.126 67 F CB 0.903 39.847 39.000 -0.092 0.000 1.145 67 F HN -0.191 nan 8.300 nan 0.000 0.541 68 D N 2.503 122.900 120.400 -0.005 0.000 2.708 68 D HA -0.228 4.412 4.640 -0.000 0.000 0.236 68 D C -0.392 175.910 176.300 0.003 0.000 1.146 68 D CA 0.665 54.649 54.000 -0.026 0.000 0.662 68 D CB -0.707 40.081 40.800 -0.019 0.000 1.059 68 D HN 0.471 nan 8.370 nan 0.000 0.428 69 E N 0.613 120.817 120.200 0.007 0.000 2.055 69 E HA 0.347 4.697 4.350 -0.000 0.000 0.274 69 E C -2.253 174.320 176.600 -0.046 0.000 0.949 69 E CA -1.950 54.445 56.400 -0.009 0.000 0.775 69 E CB 1.096 30.796 29.700 -0.000 0.000 1.097 69 E HN 0.240 nan 8.360 nan 0.000 0.404 70 P HA 0.063 nan 4.420 nan 0.000 0.269 70 P C -0.284 177.000 177.300 -0.026 0.000 1.215 70 P CA -0.205 62.892 63.100 -0.005 0.000 0.780 70 P CB 0.788 32.522 31.700 0.057 0.000 0.898 71 G N 0.214 108.996 108.800 -0.030 0.000 2.571 71 G HA2 0.542 4.502 3.960 -0.000 0.000 0.304 71 G HA3 0.542 4.502 3.960 -0.000 0.000 0.304 71 G C -1.614 173.292 174.900 0.010 0.000 1.314 71 G CA -0.530 44.552 45.100 -0.030 0.000 0.975 71 G HN 0.344 nan 8.290 nan 0.000 0.485 72 V N 1.946 121.889 119.914 0.048 0.000 2.357 72 V HA 0.430 4.550 4.120 -0.000 0.000 0.284 72 V C -1.046 175.110 176.094 0.103 0.000 1.018 72 V CA -0.625 61.728 62.300 0.088 0.000 0.841 72 V CB 1.222 33.114 31.823 0.116 0.000 0.991 72 V HN 0.639 nan 8.190 nan 0.000 0.437 73 F N 5.889 125.793 119.950 -0.076 0.000 2.361 73 F HA 0.591 5.118 4.527 -0.000 0.000 0.364 73 F C -0.066 175.647 175.800 -0.144 0.000 1.120 73 F CA -0.469 57.481 58.000 -0.083 0.000 1.102 73 F CB 1.306 40.252 39.000 -0.089 0.000 1.183 73 F HN 0.266 nan 8.300 nan 0.000 0.476 74 V N 5.494 125.055 119.914 -0.589 0.000 2.348 74 V HA 0.238 4.358 4.120 -0.000 0.000 0.270 74 V C 0.201 175.892 176.094 -0.672 0.000 1.037 74 V CA -0.405 61.586 62.300 -0.514 0.000 0.872 74 V CB 1.018 32.589 31.823 -0.421 0.000 1.002 74 V HN 0.782 nan 8.190 nan 0.000 0.464 75 T N 4.600 118.893 114.554 -0.434 0.000 2.771 75 T HA 0.525 4.875 4.350 -0.000 0.000 0.281 75 T C 0.357 174.831 174.700 -0.375 0.000 0.982 75 T CA -0.205 61.751 62.100 -0.240 0.000 0.978 75 T CB 0.401 69.348 68.868 0.131 0.000 0.930 75 T HN 0.402 nan 8.240 nan 0.000 0.447 76 F N 2.385 122.312 119.950 -0.038 0.000 2.717 76 F HA 0.376 4.903 4.527 -0.000 0.000 0.295 76 F C 2.161 177.948 175.800 -0.021 0.000 1.117 76 F CA -0.149 57.824 58.000 -0.046 0.000 1.361 76 F CB 0.587 39.538 39.000 -0.083 0.000 1.112 76 F HN 0.563 nan 8.300 nan 0.000 0.594 77 E N -0.429 119.869 120.200 0.163 0.000 2.629 77 E HA 0.079 4.429 4.350 -0.000 0.000 0.197 77 E C 0.391 177.036 176.600 0.075 0.000 0.955 77 E CA -0.121 56.343 56.400 0.107 0.000 1.191 77 E CB 0.320 30.079 29.700 0.098 0.000 1.175 77 E HN 0.144 nan 8.360 nan 0.000 0.501 78 E N 0.872 121.124 120.200 0.087 0.000 2.442 78 E HA 0.024 4.374 4.350 -0.000 0.000 0.260 78 E C -0.579 176.047 176.600 0.043 0.000 1.148 78 E CA 0.378 56.818 56.400 0.066 0.000 0.976 78 E CB 0.827 30.576 29.700 0.081 0.000 0.967 78 E HN -0.059 nan 8.360 nan 0.000 0.454 79 T N 1.471 116.038 114.554 0.021 0.000 2.907 79 T HA 0.170 4.520 4.350 -0.000 0.000 0.284 79 T C -1.889 172.801 174.700 -0.018 0.000 1.004 79 T CA -2.035 60.065 62.100 -0.000 0.000 1.063 79 T CB 1.158 70.024 68.868 -0.003 0.000 0.992 79 T HN 0.212 nan 8.240 nan 0.000 0.483 80 P HA -0.153 nan 4.420 nan 0.000 0.217 80 P C 1.479 178.744 177.300 -0.059 0.000 1.148 80 P CA 0.995 64.057 63.100 -0.064 0.000 0.828 80 P CB 0.244 31.895 31.700 -0.081 0.000 0.783 81 Q N -0.518 119.259 119.800 -0.039 0.000 2.049 81 Q HA -0.134 4.206 4.340 -0.000 0.000 0.198 81 Q C 1.684 177.662 176.000 -0.036 0.000 0.971 81 Q CA 1.404 57.187 55.803 -0.034 0.000 0.833 81 Q CB -1.570 27.155 28.738 -0.023 0.000 0.896 81 Q HN 0.313 nan 8.270 nan 0.000 0.434 82 D N 0.916 121.298 120.400 -0.030 0.000 2.104 82 D HA -0.095 4.545 4.640 -0.000 0.000 0.194 82 D C 2.164 178.441 176.300 -0.038 0.000 0.994 82 D CA 0.818 54.802 54.000 -0.027 0.000 0.830 82 D CB -0.203 40.591 40.800 -0.010 0.000 0.959 82 D HN 0.201 nan 8.370 nan 0.000 0.452 83 I N 0.838 121.374 120.570 -0.056 0.000 2.208 83 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 83 I C 2.413 178.472 176.117 -0.097 0.000 1.097 83 I CA 0.862 62.099 61.300 -0.106 0.000 1.363 83 I CB -0.138 37.730 38.000 -0.220 0.000 1.051 83 I HN -0.017 nan 8.210 nan 0.000 0.413 84 I N -0.021 120.500 120.570 -0.081 0.000 2.252 84 I HA -0.258 3.912 4.170 -0.000 0.000 0.245 84 I C 2.506 178.598 176.117 -0.042 0.000 1.102 84 I CA 0.996 62.264 61.300 -0.052 0.000 1.385 84 I CB -0.311 37.664 38.000 -0.041 0.000 1.064 84 I HN 0.114 nan 8.210 nan 0.000 0.414 85 K N 1.493 121.864 120.400 -0.048 0.000 2.063 85 K HA -0.179 4.141 4.320 -0.000 0.000 0.208 85 K C 1.767 178.316 176.600 -0.084 0.000 1.048 85 K CA 1.717 57.970 56.287 -0.057 0.000 0.928 85 K CB -0.280 32.191 32.500 -0.049 0.000 0.713 85 K HN 0.203 nan 8.250 nan 0.000 0.442 86 N N 0.150 118.807 118.700 -0.071 0.000 2.270 86 N HA -0.057 4.683 4.740 -0.000 0.000 0.181 86 N C 1.404 176.841 175.510 -0.121 0.000 1.016 86 N CA 1.265 54.261 53.050 -0.089 0.000 0.870 86 N CB -0.339 38.132 38.487 -0.027 0.000 0.979 86 N HN 0.313 nan 8.380 nan 0.000 0.431 87 A N 1.122 123.920 122.820 -0.036 0.000 2.172 87 A HA -0.031 4.289 4.320 -0.000 0.000 0.216 87 A C 2.074 179.561 177.584 -0.160 0.000 1.154 87 A CA 0.583 52.645 52.037 0.042 0.000 0.701 87 A CB -0.268 18.842 19.000 0.184 0.000 0.789 87 A HN 0.197 nan 8.150 nan 0.000 0.465 88 R N -0.656 119.730 120.500 -0.190 0.000 2.189 88 R HA -0.075 4.265 4.340 -0.000 0.000 0.223 88 R C 2.342 178.392 176.300 -0.417 0.000 1.092 88 R CA 1.063 57.024 56.100 -0.232 0.000 0.989 88 R CB -0.353 29.854 30.300 -0.154 0.000 0.876 88 R HN 0.519 nan 8.270 nan 0.000 0.457 89 S N 0.463 115.806 115.700 -0.595 0.000 2.387 89 S HA -0.135 4.335 4.470 -0.000 0.000 0.230 89 S C 1.126 175.046 174.600 -1.134 0.000 1.035 89 S CA 1.315 58.998 58.200 -0.861 0.000 1.014 89 S CB -0.073 62.457 63.200 -1.118 0.000 0.836 89 S HN 0.326 nan 8.310 nan 0.000 0.466 90 F N 0.698 120.219 119.950 -0.714 0.000 2.641 90 F HA 0.397 4.924 4.527 -0.000 0.000 0.302 90 F C 1.567 176.714 175.800 -1.089 0.000 1.098 90 F CA 0.051 57.378 58.000 -1.121 0.000 1.318 90 F CB 0.012 37.685 39.000 -2.211 0.000 1.035 90 F HN 0.259 nan 8.300 nan 0.000 0.551 91 G N -0.110 108.342 108.800 -0.580 0.000 2.272 91 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.280 91 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.280 91 G C -0.567 174.287 174.900 -0.076 0.000 1.067 91 G CA -0.471 44.474 45.100 -0.260 0.000 0.902 91 G HN 0.262 nan 8.290 nan 0.000 0.500 92 W N 0.077 121.312 121.300 -0.109 0.000 2.532 92 W HA 0.572 5.232 4.660 -0.000 0.000 0.321 92 W C -0.400 176.082 176.519 -0.061 0.000 1.037 92 W CA -1.910 55.315 57.345 -0.199 0.000 1.220 92 W CB 1.422 30.512 29.460 -0.616 0.000 1.361 92 W HN 0.185 nan 8.180 nan 0.000 0.468 93 D N 3.610 124.173 120.400 0.272 0.000 2.500 93 D HA 0.213 4.853 4.640 -0.000 0.000 0.219 93 D C 1.062 177.467 176.300 0.175 0.000 1.137 93 D CA 0.012 54.113 54.000 0.169 0.000 0.946 93 D CB 0.378 41.255 40.800 0.129 0.000 1.022 93 D HN 0.270 nan 8.370 nan 0.000 0.518 94 L N 2.181 123.487 121.223 0.138 0.000 2.093 94 L HA -0.083 4.257 4.340 -0.000 0.000 0.208 94 L C 2.491 179.396 176.870 0.058 0.000 1.085 94 L CA 0.984 55.885 54.840 0.102 0.000 0.755 94 L CB -0.531 41.549 42.059 0.036 0.000 0.904 94 L HN 0.359 nan 8.230 nan 0.000 0.435 95 A N 0.796 123.641 122.820 0.042 0.000 1.903 95 A HA -0.317 4.003 4.320 -0.000 0.000 0.219 95 A C 2.439 180.049 177.584 0.043 0.000 1.191 95 A CA 2.427 54.483 52.037 0.030 0.000 0.638 95 A CB -0.576 18.439 19.000 0.024 0.000 0.823 95 A HN 0.400 nan 8.150 nan 0.000 0.451 96 K N -0.299 120.134 120.400 0.055 0.000 2.057 96 K HA -0.092 4.228 4.320 -0.000 0.000 0.207 96 K C 1.854 178.484 176.600 0.050 0.000 1.049 96 K CA 1.593 57.911 56.287 0.052 0.000 0.931 96 K CB -0.340 32.196 32.500 0.060 0.000 0.714 96 K HN 0.508 nan 8.250 nan 0.000 0.440 97 L N 0.565 121.821 121.223 0.054 0.000 2.141 97 L HA -0.121 4.219 4.340 -0.000 0.000 0.209 97 L C 2.320 179.221 176.870 0.051 0.000 1.094 97 L CA 0.463 55.325 54.840 0.037 0.000 0.763 97 L CB -0.293 41.780 42.059 0.023 0.000 0.908 97 L HN 0.030 nan 8.230 nan 0.000 0.437 98 V N -0.161 119.784 119.914 0.052 0.000 2.515 98 V HA -0.260 3.860 4.120 -0.000 0.000 0.250 98 V C 2.027 178.189 176.094 0.114 0.000 1.058 98 V CA 1.810 64.152 62.300 0.071 0.000 1.064 98 V CB -0.325 31.523 31.823 0.042 0.000 0.675 98 V HN 0.385 nan 8.190 nan 0.000 0.461 99 D N 0.261 120.710 120.400 0.082 0.000 2.097 99 D HA -0.139 4.501 4.640 -0.000 0.000 0.197 99 D C 2.141 178.488 176.300 0.077 0.000 0.984 99 D CA 1.145 55.191 54.000 0.077 0.000 0.826 99 D CB -0.070 40.762 40.800 0.054 0.000 0.973 99 D HN 0.536 nan 8.370 nan 0.000 0.460 100 E N -0.682 119.556 120.200 0.065 0.000 2.516 100 E HA 0.121 4.471 4.350 -0.000 0.000 0.199 100 E C 1.133 177.782 176.600 0.082 0.000 1.069 100 E CA 0.473 56.905 56.400 0.053 0.000 0.876 100 E CB 0.117 29.835 29.700 0.031 0.000 0.843 100 E HN 0.332 nan 8.360 nan 0.000 0.530 101 G N 1.872 110.758 108.800 0.142 0.000 2.147 101 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.244 101 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.244 101 G C 0.926 175.976 174.900 0.250 0.000 1.005 101 G CA 0.509 45.762 45.100 0.255 0.000 0.713 101 G HN 0.084 nan 8.290 nan 0.000 0.515 102 K N -1.301 119.176 120.400 0.129 0.000 2.242 102 K HA 0.329 4.649 4.320 -0.000 0.000 0.200 102 K C 0.939 177.562 176.600 0.037 0.000 1.050 102 K CA 0.413 56.741 56.287 0.069 0.000 0.981 102 K CB 0.259 32.759 32.500 -0.001 0.000 0.795 102 K HN 0.606 nan 8.250 nan 0.000 0.477 103 L N 0.062 121.299 121.223 0.023 0.000 2.365 103 L HA 0.520 4.860 4.340 -0.000 0.000 0.273 103 L C -1.526 175.302 176.870 -0.069 0.000 1.000 103 L CA -0.855 53.969 54.840 -0.027 0.000 0.819 103 L CB 1.529 43.575 42.059 -0.021 0.000 1.284 103 L HN -0.062 nan 8.230 nan 0.000 0.418 104 F N 6.025 125.769 119.950 -0.342 0.000 2.553 104 F HA 0.617 5.144 4.527 -0.000 0.000 0.335 104 F C -1.065 174.628 175.800 -0.177 0.000 1.148 104 F CA -0.785 56.946 58.000 -0.448 0.000 0.963 104 F CB 1.016 39.379 39.000 -1.062 0.000 1.217 104 F HN 0.368 nan 8.300 nan 0.000 0.441 105 I N 7.287 127.409 120.570 -0.748 0.000 2.325 105 I HA 0.194 4.364 4.170 -0.000 0.000 0.291 105 I C -0.790 174.757 176.117 -0.950 0.000 1.019 105 I CA -0.864 60.127 61.300 -0.515 0.000 1.302 105 I CB 1.250 39.085 38.000 -0.276 0.000 1.401 105 I HN 0.460 nan 8.210 nan 0.000 0.485 106 L N 6.970 127.826 121.223 -0.611 0.000 2.272 106 L HA 0.402 4.742 4.340 -0.000 0.000 0.284 106 L C -0.212 176.505 176.870 -0.255 0.000 1.045 106 L CA -0.223 54.348 54.840 -0.448 0.000 0.842 106 L CB 0.596 42.633 42.059 -0.037 0.000 1.224 106 L HN 0.401 nan 8.230 nan 0.000 0.430 107 D N 4.396 124.670 120.400 -0.209 0.000 2.363 107 D HA 0.249 4.889 4.640 -0.000 0.000 0.263 107 D C 0.466 176.684 176.300 -0.136 0.000 1.258 107 D CA 0.730 54.643 54.000 -0.145 0.000 0.907 107 D CB 1.348 42.094 40.800 -0.090 0.000 1.107 107 D HN 0.780 nan 8.370 nan 0.000 0.495 108 A N 3.012 125.703 122.820 -0.215 0.000 2.545 108 A HA 0.146 4.466 4.320 -0.000 0.000 0.263 108 A C 0.738 178.293 177.584 -0.048 0.000 1.202 108 A CA -0.200 51.718 52.037 -0.199 0.000 0.959 108 A CB -0.020 18.657 19.000 -0.537 0.000 1.124 108 A HN 0.481 nan 8.150 nan 0.000 0.543 109 S N 1.634 117.312 115.700 -0.038 0.000 2.549 109 S HA 0.464 4.934 4.470 -0.000 0.000 0.279 109 S C -2.001 172.626 174.600 0.044 0.000 1.321 109 S CA -0.887 57.337 58.200 0.040 0.000 1.054 109 S CB 0.314 63.527 63.200 0.022 0.000 0.899 109 S HN 0.210 nan 8.310 nan 0.000 0.497 110 P HA 0.271 nan 4.420 nan 0.000 0.274 110 P C -0.792 176.522 177.300 0.024 0.000 1.264 110 P CA -0.267 62.854 63.100 0.036 0.000 0.795 110 P CB 0.173 31.889 31.700 0.026 0.000 1.064 111 D N -0.863 119.548 120.400 0.018 0.000 2.193 111 D HA 0.243 4.883 4.640 -0.000 0.000 0.244 111 D C -1.608 174.700 176.300 0.012 0.000 1.064 111 D CA -2.028 51.980 54.000 0.015 0.000 0.845 111 D CB 0.481 41.290 40.800 0.014 0.000 1.148 111 D HN 0.106 nan 8.370 nan 0.000 0.464 112 P HA -0.018 nan 4.420 nan 0.000 0.250 112 P C -0.579 176.727 177.300 0.009 0.000 1.239 112 P CA 0.705 63.811 63.100 0.010 0.000 0.756 112 P CB 0.197 31.903 31.700 0.009 0.000 1.013 113 E N -0.504 119.703 120.200 0.010 0.000 4.230 113 E HA 0.336 4.686 4.350 -0.000 0.000 0.218 113 E C 0.144 176.752 176.600 0.012 0.000 1.140 113 E CA -0.344 56.062 56.400 0.011 0.000 1.405 113 E CB 0.630 30.336 29.700 0.010 0.000 1.193 113 E HN 0.120 nan 8.360 nan 0.000 0.423 114 G N 0.211 109.018 108.800 0.012 0.000 3.016 114 G HA2 0.278 4.238 3.960 -0.000 0.000 0.270 114 G HA3 0.278 4.238 3.960 -0.000 0.000 0.270 114 G C -0.068 174.841 174.900 0.015 0.000 1.352 114 G CA -0.221 44.887 45.100 0.014 0.000 1.060 114 G HN 0.180 nan 8.290 nan 0.000 0.538 115 Q N -1.384 118.427 119.800 0.018 0.000 3.060 115 Q HA 0.549 4.889 4.340 -0.000 0.000 0.211 115 Q C -1.005 175.007 176.000 0.021 0.000 1.164 115 Q CA -0.168 55.649 55.803 0.023 0.000 0.373 115 Q CB 1.035 29.792 28.738 0.031 0.000 5.666 115 Q HN 0.328 nan 8.270 nan 0.000 0.318 116 E N -0.506 119.714 120.200 0.034 0.000 2.388 116 E HA 0.411 4.761 4.350 -0.000 0.000 0.289 116 E C -1.855 174.800 176.600 0.090 0.000 0.944 116 E CA -0.428 55.998 56.400 0.043 0.000 0.792 116 E CB 2.053 31.791 29.700 0.064 0.000 1.239 116 E HN 0.531 nan 8.360 nan 0.000 0.412 117 V N 2.090 122.061 119.914 0.095 0.000 3.041 117 V HA -0.097 4.023 4.120 -0.000 0.000 0.441 117 V C -0.765 175.407 176.094 0.130 0.000 0.682 117 V CA 0.312 62.734 62.300 0.203 0.000 1.975 117 V CB -0.796 31.163 31.823 0.228 0.000 2.460 117 V HN 0.665 nan 8.190 nan 0.000 0.490 118 V N 4.112 124.106 119.914 0.132 0.000 5.567 118 V HA 0.546 4.666 4.120 -0.000 0.000 0.246 118 V C 0.436 176.577 176.094 0.078 0.000 0.992 118 V CA 1.038 63.403 62.300 0.107 0.000 1.514 118 V CB 0.576 32.450 31.823 0.084 0.000 0.191 118 V HN 2.034 nan 8.190 nan 0.000 0.436 119 G N 1.954 110.823 108.800 0.116 0.000 3.581 119 G HA2 0.521 4.481 3.960 -0.000 0.000 0.248 119 G HA3 0.521 4.481 3.960 -0.000 0.000 0.248 119 G C 0.827 175.796 174.900 0.115 0.000 1.037 119 G CA 0.680 45.828 45.100 0.080 0.000 0.902 119 G HN 1.360 nan 8.290 nan 0.000 0.512 120 G N -0.221 108.667 108.800 0.148 0.000 2.775 120 G HA2 0.158 4.118 3.960 -0.000 0.000 0.198 120 G HA3 0.158 4.118 3.960 -0.000 0.000 0.198 120 G C 1.049 176.101 174.900 0.254 0.000 1.121 120 G CA 0.027 45.226 45.100 0.165 0.000 0.686 120 G HN 0.227 nan 8.290 nan 0.000 0.782 121 F N 2.098 122.082 119.950 0.057 0.000 2.456 121 F HA 0.020 4.547 4.527 -0.000 0.000 0.298 121 F C 2.502 178.330 175.800 0.047 0.000 1.104 121 F CA 0.902 58.930 58.000 0.047 0.000 1.435 121 F CB 0.532 39.557 39.000 0.042 0.000 1.078 121 F HN 0.203 nan 8.300 nan 0.000 0.546 122 D N 0.212 120.751 120.400 0.231 0.000 2.194 122 D HA -0.166 4.474 4.640 -0.000 0.000 0.204 122 D C 2.006 178.379 176.300 0.122 0.000 0.964 122 D CA 0.664 54.748 54.000 0.140 0.000 0.846 122 D CB -0.813 40.061 40.800 0.123 0.000 0.962 122 D HN 0.195 nan 8.370 nan 0.000 0.490 123 L N 0.303 121.608 121.223 0.138 0.000 2.465 123 L HA 0.065 4.405 4.340 -0.000 0.000 0.224 123 L C 1.354 178.286 176.870 0.104 0.000 1.145 123 L CA 0.852 55.762 54.840 0.117 0.000 0.834 123 L CB -0.357 41.778 42.059 0.126 0.000 0.944 123 L HN 0.036 nan 8.230 nan 0.000 0.451 124 S N -0.908 114.853 115.700 0.102 0.000 2.506 124 S HA 0.155 4.625 4.470 -0.000 0.000 0.230 124 S C 1.992 176.589 174.600 -0.005 0.000 1.066 124 S CA 0.549 58.773 58.200 0.040 0.000 0.940 124 S CB 0.456 63.660 63.200 0.007 0.000 0.818 124 S HN 0.487 nan 8.310 nan 0.000 0.518 125 A N 1.625 124.443 122.820 -0.003 0.000 1.933 125 A HA -0.056 4.264 4.320 -0.000 0.000 0.218 125 A C 2.047 179.643 177.584 0.021 0.000 1.175 125 A CA 1.278 53.306 52.037 -0.015 0.000 0.628 125 A CB -0.640 18.364 19.000 0.007 0.000 0.814 125 A HN 0.394 nan 8.150 nan 0.000 0.444 126 L N -0.213 121.043 121.223 0.056 0.000 2.027 126 L HA -0.089 4.251 4.340 -0.000 0.000 0.206 126 L C 2.169 179.076 176.870 0.062 0.000 1.074 126 L CA 1.468 56.351 54.840 0.072 0.000 0.745 126 L CB -0.586 41.546 42.059 0.122 0.000 0.898 126 L HN 0.300 nan 8.230 nan 0.000 0.433 127 I N 0.155 120.758 120.570 0.056 0.000 2.069 127 I HA -0.332 3.838 4.170 -0.000 0.000 0.237 127 I C 2.549 178.692 176.117 0.043 0.000 1.053 127 I CA 1.603 62.930 61.300 0.045 0.000 1.311 127 I CB -1.326 36.694 38.000 0.034 0.000 1.030 127 I HN 0.411 nan 8.210 nan 0.000 0.398 128 E N -0.191 120.025 120.200 0.028 0.000 2.171 128 E HA -0.234 4.116 4.350 -0.000 0.000 0.197 128 E C 2.365 179.003 176.600 0.064 0.000 0.997 128 E CA 0.927 57.346 56.400 0.031 0.000 0.810 128 E CB -0.041 29.656 29.700 -0.004 0.000 0.738 128 E HN 0.386 nan 8.360 nan 0.000 0.467 129 R N 0.291 120.825 120.500 0.056 0.000 2.061 129 R HA -0.085 4.255 4.340 -0.000 0.000 0.230 129 R C 2.452 178.842 176.300 0.150 0.000 1.140 129 R CA 1.189 57.336 56.100 0.080 0.000 0.940 129 R CB -0.339 29.996 30.300 0.058 0.000 0.839 129 R HN 0.181 nan 8.270 nan 0.000 0.429 130 I N 1.319 121.959 120.570 0.117 0.000 2.335 130 I HA -0.309 3.861 4.170 -0.000 0.000 0.251 130 I C 2.125 178.309 176.117 0.112 0.000 1.129 130 I CA 1.129 62.499 61.300 0.118 0.000 1.402 130 I CB -0.401 37.643 38.000 0.073 0.000 1.069 130 I HN 0.225 nan 8.210 nan 0.000 0.424 131 N N 0.416 119.176 118.700 0.100 0.000 2.244 131 N HA -0.246 4.494 4.740 -0.000 0.000 0.183 131 N C 1.833 177.393 175.510 0.084 0.000 1.016 131 N CA 1.255 54.351 53.050 0.076 0.000 0.866 131 N CB -0.253 38.270 38.487 0.060 0.000 0.980 131 N HN 0.405 nan 8.380 nan 0.000 0.430 132 Y N 0.634 120.935 120.300 0.002 0.000 2.133 132 Y HA -0.039 4.511 4.550 -0.000 0.000 0.287 132 Y C 2.269 178.157 175.900 -0.021 0.000 1.134 132 Y CA 2.023 60.112 58.100 -0.018 0.000 1.133 132 Y CB -0.685 37.762 38.460 -0.021 0.000 0.987 132 Y HN 0.126 nan 8.280 nan 0.000 0.502 133 A N 0.456 123.373 122.820 0.162 0.000 1.883 133 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 133 A C 2.293 179.937 177.584 0.100 0.000 1.186 133 A CA 2.071 54.152 52.037 0.074 0.000 0.624 133 A CB -1.201 17.875 19.000 0.126 0.000 0.822 133 A HN 0.593 nan 8.150 nan 0.000 0.444 134 I N -0.835 119.778 120.570 0.072 0.000 2.179 134 I HA -0.325 3.845 4.170 -0.000 0.000 0.242 134 I C 2.890 179.010 176.117 0.005 0.000 1.088 134 I CA 1.710 63.044 61.300 0.056 0.000 1.357 134 I CB -0.430 37.594 38.000 0.041 0.000 1.051 134 I HN 0.453 nan 8.210 nan 0.000 0.409 135 Q N 0.477 120.242 119.800 -0.059 0.000 2.084 135 Q HA -0.278 4.062 4.340 -0.000 0.000 0.202 135 Q C 2.286 178.164 176.000 -0.203 0.000 0.978 135 Q CA 1.708 57.436 55.803 -0.124 0.000 0.844 135 Q CB -0.086 28.560 28.738 -0.154 0.000 0.898 135 Q HN 0.381 nan 8.270 nan 0.000 0.426 136 K N -0.315 119.895 120.400 -0.315 0.000 2.097 136 K HA -0.155 4.165 4.320 -0.000 0.000 0.205 136 K C 1.098 177.446 176.600 -0.419 0.000 1.050 136 K CA 1.195 57.209 56.287 -0.455 0.000 0.938 136 K CB 0.059 32.146 32.500 -0.688 0.000 0.718 136 K HN 0.185 nan 8.250 nan 0.000 0.442 137 Y N 0.300 120.487 120.300 -0.189 0.000 2.466 137 Y HA 0.264 4.814 4.550 -0.000 0.000 0.272 137 Y C -0.044 175.809 175.900 -0.079 0.000 1.169 137 Y CA -0.037 57.994 58.100 -0.115 0.000 1.285 137 Y CB 0.421 38.837 38.460 -0.074 0.000 1.078 137 Y HN -0.008 nan 8.280 nan 0.000 0.523 138 R N -0.039 120.472 120.500 0.018 0.000 3.336 138 R HA -0.169 4.170 4.340 -0.000 0.000 0.260 138 R C -0.061 176.258 176.300 0.031 0.000 1.032 138 R CA 0.255 56.356 56.100 0.001 0.000 0.693 138 R CB -1.593 28.696 30.300 -0.019 0.000 1.134 138 R HN 0.282 nan 8.270 nan 0.000 0.433 139 A N 0.516 123.368 122.820 0.053 0.000 2.371 139 A HA 0.445 4.765 4.320 -0.000 0.000 0.257 139 A C 1.050 178.646 177.584 0.019 0.000 1.089 139 A CA -0.244 51.819 52.037 0.044 0.000 0.794 139 A CB 0.493 19.530 19.000 0.062 0.000 1.029 139 A HN 0.350 nan 8.150 nan 0.000 0.488 140 R N 0.260 120.760 120.500 0.001 0.000 2.435 140 R HA 0.171 4.511 4.340 -0.000 0.000 0.221 140 R C -0.045 176.259 176.300 0.007 0.000 0.885 140 R CA 0.478 56.575 56.100 -0.003 0.000 1.018 140 R CB 0.239 30.524 30.300 -0.025 0.000 1.259 140 R HN 0.760 nan 8.270 nan 0.000 0.597 141 R N 0.559 121.045 120.500 -0.024 0.000 2.670 141 R HA 0.648 4.988 4.340 -0.000 0.000 0.289 141 R C -0.971 175.367 176.300 0.063 0.000 0.965 141 R CA -0.677 55.416 56.100 -0.011 0.000 0.899 141 R CB 2.891 32.973 30.300 -0.365 0.000 1.173 141 R HN -0.248 nan 8.270 nan 0.000 0.456 142 V N 1.340 121.370 119.914 0.194 0.000 2.686 142 V HA 0.379 4.499 4.120 -0.000 0.000 0.306 142 V C -0.666 175.540 176.094 0.188 0.000 1.065 142 V CA -0.694 61.693 62.300 0.144 0.000 0.894 142 V CB 2.316 34.191 31.823 0.087 0.000 1.004 142 V HN 0.756 nan 8.190 nan 0.000 0.424 143 S N 4.859 120.609 115.700 0.084 0.000 2.552 143 S HA 0.676 5.146 4.470 -0.000 0.000 0.314 143 S C -0.568 173.863 174.600 -0.281 0.000 1.099 143 S CA -0.362 57.839 58.200 0.001 0.000 1.070 143 S CB 1.178 64.449 63.200 0.117 0.000 0.998 143 S HN 0.547 nan 8.310 nan 0.000 0.474 144 I N 2.770 123.235 120.570 -0.175 0.000 2.328 144 I HA 0.257 4.427 4.170 -0.000 0.000 0.287 144 I C -0.484 175.549 176.117 -0.141 0.000 1.012 144 I CA -0.516 60.672 61.300 -0.186 0.000 1.195 144 I CB 1.061 39.058 38.000 -0.004 0.000 1.350 144 I HN 0.417 nan 8.210 nan 0.000 0.464 145 D N 5.978 126.219 120.400 -0.264 0.000 2.347 145 D HA 0.199 4.839 4.640 -0.000 0.000 0.235 145 D C 0.079 176.459 176.300 0.133 0.000 1.149 145 D CA 0.391 54.361 54.000 -0.049 0.000 0.850 145 D CB 0.633 41.441 40.800 0.013 0.000 1.061 145 D HN 0.645 nan 8.370 nan 0.000 0.487 146 S N 1.299 117.067 115.700 0.113 0.000 3.634 146 S HA -0.193 4.277 4.470 -0.000 0.000 0.501 146 S C 1.053 175.655 174.600 0.004 0.000 0.789 146 S CA 0.404 58.656 58.200 0.087 0.000 1.378 146 S CB -2.432 60.823 63.200 0.092 0.000 0.896 146 S HN 0.663 nan 8.310 nan 0.000 0.703 147 V N -0.072 119.796 119.914 -0.076 0.000 2.427 147 V HA -0.125 3.995 4.120 -0.000 0.000 0.248 147 V C 2.416 178.172 176.094 -0.563 0.000 1.051 147 V CA 2.102 64.170 62.300 -0.388 0.000 1.048 147 V CB -1.855 29.862 31.823 -0.177 0.000 0.666 147 V HN 0.850 nan 8.190 nan 0.000 0.456 148 T N 2.534 116.998 114.554 -0.151 0.000 2.594 148 T HA -0.311 4.039 4.350 -0.000 0.000 0.266 148 T C 2.085 176.733 174.700 -0.087 0.000 1.070 148 T CA 3.202 65.346 62.100 0.074 0.000 1.166 148 T CB -1.005 67.955 68.868 0.153 0.000 0.862 148 T HN 0.950 nan 8.240 nan 0.000 0.436 149 S N 0.940 116.558 115.700 -0.137 0.000 2.462 149 S HA -0.098 4.372 4.470 -0.000 0.000 0.243 149 S C 2.045 176.470 174.600 -0.292 0.000 1.003 149 S CA 1.084 59.203 58.200 -0.135 0.000 0.970 149 S CB -0.869 62.288 63.200 -0.072 0.000 0.762 149 S HN 0.327 nan 8.310 nan 0.000 0.510 150 V N 1.296 120.822 119.914 -0.646 0.000 2.323 150 V HA 0.012 4.132 4.120 -0.000 0.000 0.244 150 V C 1.741 177.556 176.094 -0.465 0.000 1.041 150 V CA 1.530 63.405 62.300 -0.708 0.000 1.025 150 V CB -0.661 30.486 31.823 -1.126 0.000 0.656 150 V HN 0.643 nan 8.190 nan 0.000 0.451 151 F N -0.729 119.099 119.950 -0.203 0.000 2.811 151 F HA 0.299 4.826 4.527 -0.000 0.000 0.301 151 F C 1.670 177.418 175.800 -0.086 0.000 1.151 151 F CA -0.134 57.770 58.000 -0.159 0.000 1.412 151 F CB -0.822 38.033 39.000 -0.242 0.000 1.113 151 F HN 0.091 nan 8.300 nan 0.000 0.579 152 Q N 1.639 121.507 119.800 0.114 0.000 2.600 152 Q HA 0.037 4.377 4.340 -0.000 0.000 0.276 152 Q C 0.934 176.921 176.000 -0.022 0.000 1.006 152 Q CA 0.323 56.203 55.803 0.128 0.000 0.942 152 Q CB -0.055 28.744 28.738 0.101 0.000 1.383 152 Q HN 0.660 nan 8.270 nan 0.000 0.414 153 Q N -0.462 119.269 119.800 -0.115 0.000 2.431 153 Q HA 0.017 4.357 4.340 -0.000 0.000 0.244 153 Q C -0.579 175.116 176.000 -0.509 0.000 0.880 153 Q CA 0.376 55.911 55.803 -0.447 0.000 0.954 153 Q CB 1.047 29.334 28.738 -0.752 0.000 1.105 153 Q HN 0.500 nan 8.270 nan 0.000 0.558 154 Y N -1.877 118.466 120.300 0.073 0.000 3.379 154 Y HA 0.282 4.832 4.550 -0.000 0.000 0.202 154 Y C -1.720 174.210 175.900 0.049 0.000 0.591 154 Y CA -1.570 56.566 58.100 0.059 0.000 1.126 154 Y CB -1.775 36.708 38.460 0.037 0.000 1.086 154 Y HN -0.144 nan 8.280 nan 0.000 0.525 155 D N 1.469 122.047 120.400 0.296 0.000 2.374 155 D HA 0.892 5.532 4.640 -0.000 0.000 0.239 155 D C -0.519 175.830 176.300 0.081 0.000 0.991 155 D CA -0.448 53.636 54.000 0.139 0.000 0.960 155 D CB 2.010 42.840 40.800 0.049 0.000 1.284 155 D HN 0.564 nan 8.370 nan 0.000 0.512 156 A N 0.106 122.928 122.820 0.003 0.000 2.350 156 A HA 0.520 4.840 4.320 -0.000 0.000 0.324 156 A C 1.251 178.804 177.584 -0.051 0.000 1.118 156 A CA -0.177 51.874 52.037 0.024 0.000 0.783 156 A CB 1.171 20.179 19.000 0.014 0.000 1.236 156 A HN 0.667 nan 8.150 nan 0.000 0.457 157 S N 1.783 117.501 115.700 0.030 0.000 2.461 157 S HA -0.357 4.113 4.470 -0.000 0.000 0.266 157 S C 1.900 176.446 174.600 -0.091 0.000 1.138 157 S CA 2.858 61.058 58.200 -0.001 0.000 1.146 157 S CB -1.380 61.851 63.200 0.052 0.000 1.042 157 S HN 1.878 nan 8.310 nan 0.000 0.448 158 S N 1.465 117.120 115.700 -0.074 0.000 2.402 158 S HA 0.011 4.481 4.470 -0.000 0.000 0.229 158 S C 1.851 176.389 174.600 -0.104 0.000 1.021 158 S CA 0.973 59.126 58.200 -0.078 0.000 0.974 158 S CB -0.917 62.249 63.200 -0.057 0.000 0.800 158 S HN 0.552 nan 8.310 nan 0.000 0.484 159 V N 1.616 121.451 119.914 -0.132 0.000 2.453 159 V HA -0.060 4.060 4.120 -0.000 0.000 0.247 159 V C 2.570 178.523 176.094 -0.234 0.000 1.048 159 V CA 1.184 63.403 62.300 -0.135 0.000 1.049 159 V CB -0.939 30.817 31.823 -0.112 0.000 0.672 159 V HN 0.427 nan 8.190 nan 0.000 0.457 160 V N 0.378 120.024 119.914 -0.447 0.000 2.270 160 V HA -0.230 3.890 4.120 -0.000 0.000 0.245 160 V C 2.603 178.459 176.094 -0.397 0.000 1.043 160 V CA 2.353 64.156 62.300 -0.829 0.000 1.014 160 V CB -0.789 30.319 31.823 -1.191 0.000 0.645 160 V HN 0.477 nan 8.190 nan 0.000 0.447 161 R N -0.054 120.320 120.500 -0.210 0.000 2.103 161 R HA -0.203 4.137 4.340 -0.000 0.000 0.242 161 R C 2.512 178.828 176.300 0.028 0.000 1.142 161 R CA 1.838 57.906 56.100 -0.054 0.000 0.960 161 R CB -0.214 30.066 30.300 -0.034 0.000 0.858 161 R HN 0.401 nan 8.270 nan 0.000 0.439 162 R N -0.157 120.346 120.500 0.004 0.000 2.066 162 R HA -0.083 4.257 4.340 -0.000 0.000 0.232 162 R C 2.227 178.617 176.300 0.150 0.000 1.131 162 R CA 1.485 57.637 56.100 0.087 0.000 0.955 162 R CB -0.065 30.260 30.300 0.042 0.000 0.851 162 R HN 0.270 nan 8.270 nan 0.000 0.432 163 E N 0.865 121.121 120.200 0.093 0.000 2.051 163 E HA -0.205 4.145 4.350 -0.000 0.000 0.192 163 E C 2.144 178.853 176.600 0.180 0.000 0.991 163 E CA 0.906 57.398 56.400 0.152 0.000 0.799 163 E CB -0.296 29.532 29.700 0.213 0.000 0.748 163 E HN 0.333 nan 8.360 nan 0.000 0.449 164 L N 0.056 121.391 121.223 0.186 0.000 1.956 164 L HA -0.224 4.116 4.340 -0.000 0.000 0.216 164 L C 2.554 179.505 176.870 0.136 0.000 1.073 164 L CA 1.655 56.605 54.840 0.184 0.000 0.762 164 L CB -0.569 41.589 42.059 0.164 0.000 0.889 164 L HN 0.089 nan 8.230 nan 0.000 0.433 165 F N 0.887 120.869 119.950 0.053 0.000 2.063 165 F HA -0.345 4.182 4.527 -0.000 0.000 0.298 165 F C 2.868 178.698 175.800 0.050 0.000 1.105 165 F CA 2.222 60.249 58.000 0.046 0.000 1.215 165 F CB -0.474 38.545 39.000 0.033 0.000 0.972 165 F HN -0.005 nan 8.300 nan 0.000 0.483 166 R N 0.128 120.633 120.500 0.008 0.000 2.094 166 R HA -0.239 4.101 4.340 -0.000 0.000 0.239 166 R C 2.294 178.520 176.300 -0.122 0.000 1.137 166 R CA 2.172 58.228 56.100 -0.073 0.000 0.943 166 R CB -0.940 29.401 30.300 0.067 0.000 0.850 166 R HN 0.460 nan 8.270 nan 0.000 0.433 167 L N 0.807 122.010 121.223 -0.034 0.000 1.955 167 L HA -0.169 4.171 4.340 -0.000 0.000 0.213 167 L C 2.341 179.173 176.870 -0.064 0.000 1.072 167 L CA 1.715 56.544 54.840 -0.018 0.000 0.755 167 L CB -0.814 41.267 42.059 0.037 0.000 0.888 167 L HN 0.085 nan 8.230 nan 0.000 0.432 168 V N 0.387 120.254 119.914 -0.078 0.000 2.250 168 V HA -0.426 3.694 4.120 -0.000 0.000 0.253 168 V C 2.824 178.826 176.094 -0.153 0.000 1.065 168 V CA 2.154 64.399 62.300 -0.091 0.000 1.039 168 V CB -1.513 30.264 31.823 -0.077 0.000 0.647 168 V HN 0.703 nan 8.190 nan 0.000 0.446 169 A N -0.453 122.180 122.820 -0.312 0.000 1.873 169 A HA -0.260 4.060 4.320 -0.000 0.000 0.218 169 A C 2.332 179.819 177.584 -0.162 0.000 1.193 169 A CA 1.999 53.837 52.037 -0.332 0.000 0.629 169 A CB -0.557 18.072 19.000 -0.618 0.000 0.826 169 A HN 0.434 nan 8.150 nan 0.000 0.447 170 R N -0.632 119.793 120.500 -0.126 0.000 2.081 170 R HA -0.046 4.294 4.340 -0.000 0.000 0.235 170 R C 2.146 178.424 176.300 -0.036 0.000 1.131 170 R CA 1.263 57.328 56.100 -0.059 0.000 0.960 170 R CB -1.034 29.247 30.300 -0.033 0.000 0.856 170 R HN 0.611 nan 8.270 nan 0.000 0.436 171 L N 0.644 121.846 121.223 -0.036 0.000 2.046 171 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 171 L C 2.681 179.543 176.870 -0.013 0.000 1.077 171 L CA 1.458 56.291 54.840 -0.013 0.000 0.747 171 L CB -0.353 41.702 42.059 -0.007 0.000 0.896 171 L HN 0.150 nan 8.230 nan 0.000 0.432 172 K N -0.383 119.999 120.400 -0.029 0.000 2.057 172 K HA -0.210 4.110 4.320 -0.000 0.000 0.207 172 K C 2.131 178.723 176.600 -0.014 0.000 1.049 172 K CA 1.356 57.632 56.287 -0.019 0.000 0.931 172 K CB 0.050 32.532 32.500 -0.031 0.000 0.714 172 K HN 0.363 nan 8.250 nan 0.000 0.440 173 Q N 0.386 120.173 119.800 -0.021 0.000 2.002 173 Q HA -0.171 4.169 4.340 -0.000 0.000 0.204 173 Q C 1.979 177.976 176.000 -0.005 0.000 0.988 173 Q CA 1.460 57.255 55.803 -0.012 0.000 0.843 173 Q CB -0.194 28.535 28.738 -0.014 0.000 0.908 173 Q HN 0.287 nan 8.270 nan 0.000 0.420 174 I N -0.153 120.415 120.570 -0.004 0.000 2.479 174 I HA -0.208 3.962 4.170 -0.000 0.000 0.258 174 I C 1.627 177.746 176.117 0.003 0.000 1.165 174 I CA 1.905 63.206 61.300 0.002 0.000 1.422 174 I CB -1.691 36.315 38.000 0.008 0.000 1.087 174 I HN 0.608 nan 8.210 nan 0.000 0.441 175 G N 0.190 108.992 108.800 0.004 0.000 2.157 175 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.239 175 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.239 175 G C 0.505 175.414 174.900 0.015 0.000 0.982 175 G CA 0.208 45.312 45.100 0.007 0.000 0.650 175 G HN 0.780 nan 8.290 nan 0.000 0.527 176 A N 0.211 123.044 122.820 0.022 0.000 2.388 176 A HA 0.694 5.014 4.320 -0.000 0.000 0.257 176 A C 0.632 178.249 177.584 0.055 0.000 1.095 176 A CA 0.926 52.986 52.037 0.039 0.000 0.791 176 A CB 0.474 19.500 19.000 0.042 0.000 1.029 176 A HN 0.772 nan 8.150 nan 0.000 0.489 177 T N 2.824 117.433 114.554 0.091 0.000 2.733 177 T HA 0.501 4.851 4.350 -0.000 0.000 0.294 177 T C 0.034 174.844 174.700 0.184 0.000 0.956 177 T CA -0.006 62.170 62.100 0.126 0.000 0.987 177 T CB 0.614 69.585 68.868 0.171 0.000 0.920 177 T HN 0.652 nan 8.240 nan 0.000 0.470 178 T N 2.474 117.085 114.554 0.095 0.000 2.918 178 T HA 0.592 4.942 4.350 -0.000 0.000 0.286 178 T C -0.361 174.318 174.700 -0.036 0.000 1.026 178 T CA -0.637 61.509 62.100 0.077 0.000 1.031 178 T CB 1.668 70.560 68.868 0.040 0.000 1.046 178 T HN 0.299 nan 8.240 nan 0.000 0.479 179 V N 3.301 123.193 119.914 -0.036 0.000 2.444 179 V HA 0.489 4.609 4.120 -0.000 0.000 0.294 179 V C -0.556 175.517 176.094 -0.036 0.000 1.022 179 V CA -0.595 61.632 62.300 -0.121 0.000 0.850 179 V CB 1.368 33.072 31.823 -0.198 0.000 0.992 179 V HN 0.832 nan 8.190 nan 0.000 0.426 180 M N 3.376 122.952 119.600 -0.040 0.000 2.311 180 M HA 0.436 4.916 4.480 -0.000 0.000 0.325 180 M C -0.171 176.122 176.300 -0.011 0.000 1.061 180 M CA -0.167 55.127 55.300 -0.010 0.000 0.957 180 M CB 2.275 34.881 32.600 0.010 0.000 1.646 180 M HN 0.518 nan 8.290 nan 0.000 0.434 181 T N 2.013 116.573 114.554 0.010 0.000 2.875 181 T HA 0.672 5.022 4.350 -0.000 0.000 0.284 181 T C -0.559 174.160 174.700 0.032 0.000 0.995 181 T CA -0.153 61.956 62.100 0.016 0.000 1.060 181 T CB 0.974 69.869 68.868 0.044 0.000 0.967 181 T HN 0.704 nan 8.240 nan 0.000 0.476 182 T N 2.987 117.556 114.554 0.025 0.000 2.900 182 T HA 0.442 4.792 4.350 -0.000 0.000 0.303 182 T C -1.006 173.716 174.700 0.037 0.000 1.142 182 T CA -1.102 61.028 62.100 0.049 0.000 1.007 182 T CB 1.663 70.567 68.868 0.060 0.000 1.156 182 T HN 0.646 nan 8.240 nan 0.000 0.490 183 E N 1.437 121.666 120.200 0.048 0.000 2.222 183 E HA 0.744 5.094 4.350 -0.000 0.000 0.272 183 E C -0.773 175.830 176.600 0.005 0.000 0.982 183 E CA -1.157 55.259 56.400 0.026 0.000 0.842 183 E CB 1.778 31.496 29.700 0.031 0.000 1.144 183 E HN 0.459 nan 8.360 nan 0.000 0.397 184 R N 0.895 121.387 120.500 -0.013 0.000 2.771 184 R HA 0.409 4.749 4.340 -0.000 0.000 0.274 184 R C 0.479 176.759 176.300 -0.034 0.000 0.987 184 R CA -0.770 55.312 56.100 -0.031 0.000 0.908 184 R CB 1.223 31.500 30.300 -0.038 0.000 1.213 184 R HN 0.488 nan 8.270 nan 0.000 0.468 185 I N -1.265 119.281 120.570 -0.040 0.000 3.708 185 I HA 0.171 4.341 4.170 -0.000 0.000 0.302 185 I C 0.347 176.445 176.117 -0.032 0.000 1.255 185 I CA 0.514 61.794 61.300 -0.033 0.000 1.362 185 I CB -0.205 37.775 38.000 -0.033 0.000 1.100 185 I HN 0.540 nan 8.210 nan 0.000 0.434 186 E N 1.991 122.171 120.200 -0.034 0.000 2.171 186 E HA 0.178 4.528 4.350 -0.000 0.000 0.271 186 E C 0.319 176.875 176.600 -0.072 0.000 0.916 186 E CA -0.116 56.266 56.400 -0.029 0.000 0.774 186 E CB 2.488 32.187 29.700 -0.002 0.000 1.128 186 E HN -0.032 nan 8.360 nan 0.000 0.403 187 E N 2.371 122.501 120.200 -0.117 0.000 2.153 187 E HA -0.143 4.207 4.350 -0.000 0.000 0.194 187 E C 0.324 176.599 176.600 -0.541 0.000 0.988 187 E CA 1.403 57.617 56.400 -0.309 0.000 0.811 187 E CB 0.013 29.502 29.700 -0.352 0.000 0.746 187 E HN 0.518 nan 8.360 nan 0.000 0.466 188 Y N -1.974 118.327 120.300 0.003 0.000 2.641 188 Y HA 0.376 4.926 4.550 -0.000 0.000 0.248 188 Y C 1.137 177.039 175.900 0.003 0.000 1.170 188 Y CA -0.332 57.770 58.100 0.003 0.000 1.201 188 Y CB 0.995 39.457 38.460 0.003 0.000 1.232 188 Y HN 0.024 nan 8.280 nan 0.000 0.537 189 G N 1.335 110.187 108.800 0.087 0.000 3.086 189 G HA2 0.163 4.123 3.960 -0.000 0.000 0.159 189 G HA3 0.163 4.123 3.960 -0.000 0.000 0.159 189 G C -1.915 173.013 174.900 0.047 0.000 1.654 189 G CA -0.577 44.562 45.100 0.064 0.000 1.078 189 G HN -0.078 nan 8.290 nan 0.000 0.558 190 P HA 0.147 nan 4.420 nan 0.000 0.270 190 P C 0.471 177.775 177.300 0.007 0.000 1.223 190 P CA -0.447 62.671 63.100 0.029 0.000 0.785 190 P CB 1.151 32.864 31.700 0.023 0.000 0.923 191 I N 0.506 121.074 120.570 -0.003 0.000 2.179 191 I HA -0.077 4.093 4.170 -0.000 0.000 0.242 191 I C 1.475 177.576 176.117 -0.025 0.000 1.088 191 I CA 1.250 62.530 61.300 -0.033 0.000 1.357 191 I CB -1.438 36.509 38.000 -0.089 0.000 1.051 191 I HN 0.504 nan 8.210 nan 0.000 0.409 192 A N -1.485 121.332 122.820 -0.006 0.000 2.530 192 A HA 0.540 4.860 4.320 -0.000 0.000 0.288 192 A C 1.193 178.772 177.584 -0.008 0.000 1.172 192 A CA -0.600 51.442 52.037 0.009 0.000 0.733 192 A CB 0.793 19.821 19.000 0.045 0.000 1.320 192 A HN 0.031 nan 8.150 nan 0.000 0.419 193 R N -0.867 119.608 120.500 -0.043 0.000 2.143 193 R HA -0.226 4.114 4.340 -0.000 0.000 0.239 193 R C 0.904 176.984 176.300 -0.366 0.000 1.126 193 R CA 2.690 58.643 56.100 -0.244 0.000 0.927 193 R CB -0.554 29.489 30.300 -0.428 0.000 0.860 193 R HN 0.769 nan 8.270 nan 0.000 0.433 194 Y N -0.179 120.132 120.300 0.018 0.000 2.502 194 Y HA 0.177 4.727 4.550 -0.000 0.000 0.295 194 Y C 1.435 177.346 175.900 0.019 0.000 1.193 194 Y CA 0.383 58.479 58.100 -0.006 0.000 1.295 194 Y CB 0.005 38.423 38.460 -0.070 0.000 1.059 194 Y HN 0.364 nan 8.280 nan 0.000 0.514 195 G N 0.210 109.076 108.800 0.110 0.000 2.361 195 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.294 195 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.294 195 G C 0.637 175.678 174.900 0.235 0.000 1.004 195 G CA 0.928 46.118 45.100 0.149 0.000 0.870 195 G HN 0.384 nan 8.290 nan 0.000 0.510 196 V N -1.482 118.568 119.914 0.226 0.000 3.431 196 V HA 0.101 4.221 4.120 -0.000 0.000 0.255 196 V C 2.163 178.388 176.094 0.218 0.000 1.403 196 V CA 1.466 63.907 62.300 0.235 0.000 1.101 196 V CB 0.531 32.427 31.823 0.121 0.000 0.891 196 V HN 0.348 nan 8.190 nan 0.000 0.446 197 E N 0.919 121.211 120.200 0.153 0.000 2.110 197 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 197 E C 1.849 178.469 176.600 0.033 0.000 0.988 197 E CA 1.308 57.771 56.400 0.106 0.000 0.804 197 E CB -0.195 29.569 29.700 0.106 0.000 0.745 197 E HN 0.592 nan 8.360 nan 0.000 0.458 198 E N -0.273 119.879 120.200 -0.079 0.000 2.114 198 E HA -0.203 4.147 4.350 -0.000 0.000 0.199 198 E C 1.291 177.618 176.600 -0.454 0.000 1.008 198 E CA 1.498 57.658 56.400 -0.400 0.000 0.810 198 E CB -0.223 28.897 29.700 -0.966 0.000 0.739 198 E HN 0.366 nan 8.360 nan 0.000 0.456 199 F N -1.644 118.326 119.950 0.034 0.000 2.714 199 F HA 0.090 4.617 4.527 -0.000 0.000 0.294 199 F C 1.804 177.635 175.800 0.051 0.000 1.120 199 F CA -0.000 58.019 58.000 0.032 0.000 1.398 199 F CB 0.215 39.226 39.000 0.019 0.000 1.120 199 F HN -0.140 nan 8.300 nan 0.000 0.589 200 V N -1.017 119.015 119.914 0.197 0.000 3.129 200 V HA -0.037 4.082 4.120 -0.000 0.000 0.259 200 V C 0.870 177.053 176.094 0.149 0.000 1.116 200 V CA 0.642 63.060 62.300 0.197 0.000 1.127 200 V CB -0.661 31.285 31.823 0.205 0.000 0.742 200 V HN 0.105 nan 8.190 nan 0.000 0.474 201 S N -0.080 115.668 115.700 0.079 0.000 2.654 201 S HA 0.255 4.725 4.470 -0.000 0.000 0.283 201 S C 0.761 175.379 174.600 0.029 0.000 1.180 201 S CA -0.627 57.597 58.200 0.041 0.000 1.021 201 S CB 1.421 64.622 63.200 0.002 0.000 1.018 201 S HN 0.343 nan 8.310 nan 0.000 0.532 202 D N 0.965 121.376 120.400 0.019 0.000 2.162 202 D HA 0.025 4.665 4.640 -0.000 0.000 0.203 202 D C -0.105 176.187 176.300 -0.013 0.000 0.967 202 D CA 1.024 55.033 54.000 0.015 0.000 0.840 202 D CB 0.139 40.948 40.800 0.015 0.000 0.972 202 D HN 0.450 nan 8.370 nan 0.000 0.482 203 N N 0.185 118.864 118.700 -0.034 0.000 2.229 203 N HA 0.364 5.104 4.740 -0.000 0.000 0.298 203 N C -1.012 174.448 175.510 -0.084 0.000 1.114 203 N CA -0.448 52.563 53.050 -0.066 0.000 0.776 203 N CB 3.224 41.674 38.487 -0.061 0.000 1.501 203 N HN -0.254 nan 8.380 nan 0.000 0.474 204 V N 1.074 120.921 119.914 -0.112 0.000 2.638 204 V HA 0.451 4.571 4.120 -0.000 0.000 0.306 204 V C -0.460 175.559 176.094 -0.126 0.000 1.052 204 V CA -0.746 61.483 62.300 -0.118 0.000 0.885 204 V CB 2.165 33.911 31.823 -0.129 0.000 0.999 204 V HN 0.400 nan 8.190 nan 0.000 0.424 205 V N 5.932 125.767 119.914 -0.133 0.000 2.487 205 V HA 0.554 4.674 4.120 -0.000 0.000 0.298 205 V C -0.434 175.581 176.094 -0.133 0.000 1.028 205 V CA -0.432 61.786 62.300 -0.137 0.000 0.860 205 V CB 1.970 33.661 31.823 -0.219 0.000 0.991 205 V HN 0.718 nan 8.190 nan 0.000 0.427 206 I N 5.628 126.150 120.570 -0.080 0.000 2.339 206 I HA 0.415 4.585 4.170 -0.000 0.000 0.290 206 I C -0.458 175.647 176.117 -0.020 0.000 0.994 206 I CA -0.350 60.915 61.300 -0.057 0.000 1.191 206 I CB 1.409 39.390 38.000 -0.033 0.000 1.343 206 I HN 0.326 nan 8.210 nan 0.000 0.458 207 L N 7.138 128.348 121.223 -0.021 0.000 2.265 207 L HA 0.515 4.855 4.340 -0.000 0.000 0.288 207 L C 0.154 177.064 176.870 0.067 0.000 1.058 207 L CA -0.382 54.508 54.840 0.084 0.000 0.809 207 L CB 0.703 42.814 42.059 0.087 0.000 1.179 207 L HN 0.583 nan 8.230 nan 0.000 0.429 208 R N 2.364 122.917 120.500 0.088 0.000 2.778 208 R HA 0.373 4.713 4.340 -0.000 0.000 0.277 208 R C -0.505 175.777 176.300 -0.029 0.000 0.977 208 R CA -0.687 55.396 56.100 -0.029 0.000 0.950 208 R CB 2.104 32.336 30.300 -0.113 0.000 1.165 208 R HN 0.562 nan 8.270 nan 0.000 0.474 209 N N 1.578 120.235 118.700 -0.071 0.000 2.750 209 N HA 0.142 4.882 4.740 -0.000 0.000 0.253 209 N C -1.253 174.216 175.510 -0.069 0.000 1.408 209 N CA -0.186 52.821 53.050 -0.073 0.000 0.780 209 N CB 1.111 39.567 38.487 -0.052 0.000 1.191 209 N HN 0.146 nan 8.380 nan 0.000 0.511 210 V N 3.332 123.211 119.914 -0.058 0.000 2.614 210 V HA 0.041 4.161 4.120 -0.000 0.000 0.291 210 V C 1.302 177.394 176.094 -0.003 0.000 1.049 210 V CA -0.263 62.022 62.300 -0.025 0.000 1.038 210 V CB 1.218 33.063 31.823 0.036 0.000 0.980 210 V HN 0.555 nan 8.190 nan 0.000 0.481 211 L N 3.460 124.687 121.223 0.007 0.000 1.883 211 L HA 0.180 4.520 4.340 -0.000 0.000 0.221 211 L C 1.304 178.186 176.870 0.021 0.000 1.122 211 L CA 1.614 56.459 54.840 0.010 0.000 1.006 211 L CB -0.730 41.335 42.059 0.010 0.000 0.960 211 L HN 1.064 nan 8.230 nan 0.000 0.533 212 E N -0.184 120.033 120.200 0.028 0.000 5.642 212 E HA -0.182 4.168 4.350 -0.000 0.000 0.186 212 E C 0.444 177.051 176.600 0.012 0.000 1.588 212 E CA 0.720 57.136 56.400 0.026 0.000 1.263 212 E CB -1.622 28.101 29.700 0.038 0.000 1.005 212 E HN 1.159 nan 8.360 nan 0.000 0.322 213 G N 4.256 113.060 108.800 0.007 0.000 2.221 213 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.265 213 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.265 213 G C 0.491 175.389 174.900 -0.003 0.000 1.041 213 G CA 1.018 46.118 45.100 -0.000 0.000 0.807 213 G HN 0.861 nan 8.290 nan 0.000 0.502 214 E N -2.943 117.255 120.200 -0.003 0.000 3.916 214 E HA -0.233 4.117 4.350 -0.000 0.000 0.331 214 E C 0.990 177.584 176.600 -0.008 0.000 0.729 214 E CA 1.544 57.941 56.400 -0.007 0.000 1.222 214 E CB -0.629 29.065 29.700 -0.010 0.000 1.633 214 E HN 0.619 nan 8.360 nan 0.000 0.437 215 R N 0.640 121.136 120.500 -0.007 0.000 2.758 215 R HA 0.514 4.854 4.340 -0.000 0.000 0.265 215 R C 0.249 176.542 176.300 -0.012 0.000 1.016 215 R CA -0.633 55.461 56.100 -0.010 0.000 1.040 215 R CB 0.925 31.221 30.300 -0.007 0.000 1.152 215 R HN -0.032 nan 8.270 nan 0.000 0.503 216 R N 1.280 121.767 120.500 -0.021 0.000 2.599 216 R HA 0.401 4.741 4.340 -0.000 0.000 0.295 216 R C -0.362 175.914 176.300 -0.041 0.000 0.963 216 R CA -0.757 55.326 56.100 -0.029 0.000 0.883 216 R CB 2.526 32.805 30.300 -0.036 0.000 1.171 216 R HN 0.497 nan 8.270 nan 0.000 0.450 217 R N 3.020 123.495 120.500 -0.042 0.000 2.439 217 R HA 0.341 4.681 4.340 -0.000 0.000 0.310 217 R C -0.671 175.571 176.300 -0.097 0.000 0.955 217 R CA -0.671 55.398 56.100 -0.051 0.000 0.853 217 R CB 1.167 31.464 30.300 -0.006 0.000 1.171 217 R HN 0.584 nan 8.270 nan 0.000 0.449 218 R N 2.385 122.757 120.500 -0.213 0.000 2.349 218 R HA 0.385 4.725 4.340 -0.000 0.000 0.299 218 R C -0.642 175.521 176.300 -0.228 0.000 1.027 218 R CA -0.732 55.140 56.100 -0.380 0.000 0.958 218 R CB 1.525 31.254 30.300 -0.951 0.000 1.047 218 R HN 0.686 nan 8.270 nan 0.000 0.468 219 T N -0.187 114.399 114.554 0.054 0.000 2.903 219 T HA 0.537 4.887 4.350 -0.000 0.000 0.299 219 T C -0.639 174.354 174.700 0.489 0.000 1.093 219 T CA -1.032 61.247 62.100 0.299 0.000 1.002 219 T CB 1.692 70.660 68.868 0.167 0.000 1.127 219 T HN 0.573 nan 8.240 nan 0.000 0.488 220 L N 0.919 122.429 121.223 0.480 0.000 2.362 220 L HA 0.834 5.174 4.340 -0.000 0.000 0.271 220 L C -0.722 176.288 176.870 0.233 0.000 1.002 220 L CA -0.558 54.450 54.840 0.281 0.000 0.818 220 L CB 1.817 43.939 42.059 0.106 0.000 1.298 220 L HN 1.027 nan 8.230 nan 0.000 0.420 221 E N 4.619 124.902 120.200 0.139 0.000 2.292 221 E HA 0.424 4.774 4.350 -0.000 0.000 0.272 221 E C -1.601 175.033 176.600 0.056 0.000 0.881 221 E CA -0.719 55.762 56.400 0.135 0.000 0.754 221 E CB 1.971 31.731 29.700 0.101 0.000 1.201 221 E HN 0.692 nan 8.360 nan 0.000 0.425 222 I N 6.393 126.983 120.570 0.032 0.000 2.297 222 I HA 0.094 4.264 4.170 -0.000 0.000 0.291 222 I C 1.052 177.087 176.117 -0.136 0.000 1.033 222 I CA -0.318 60.903 61.300 -0.132 0.000 1.253 222 I CB 1.063 38.871 38.000 -0.319 0.000 1.396 222 I HN 0.701 nan 8.210 nan 0.000 0.476 223 L N 6.595 127.750 121.223 -0.114 0.000 2.127 223 L HA 0.071 4.411 4.340 -0.000 0.000 0.203 223 L C 0.843 177.670 176.870 -0.072 0.000 1.080 223 L CA 1.317 56.127 54.840 -0.050 0.000 0.768 223 L CB 0.097 42.123 42.059 -0.056 0.000 0.924 223 L HN 0.644 nan 8.230 nan 0.000 0.444 224 K N -0.801 119.490 120.400 -0.181 0.000 2.556 224 K HA 0.491 4.811 4.320 -0.000 0.000 0.274 224 K C -1.653 174.813 176.600 -0.222 0.000 0.966 224 K CA -0.772 55.429 56.287 -0.143 0.000 0.865 224 K CB 1.973 34.447 32.500 -0.043 0.000 1.444 224 K HN -0.018 nan 8.250 nan 0.000 0.433 225 L N 2.791 123.944 121.223 -0.118 0.000 2.573 225 L HA 0.389 4.729 4.340 -0.000 0.000 0.260 225 L C -0.650 176.230 176.870 0.018 0.000 0.997 225 L CA -0.752 54.049 54.840 -0.065 0.000 0.890 225 L CB 1.878 43.897 42.059 -0.066 0.000 1.179 225 L HN 0.664 nan 8.230 nan 0.000 0.439 226 R N 1.764 122.272 120.500 0.014 0.000 2.473 226 R HA 0.256 4.596 4.340 -0.000 0.000 0.315 226 R C 1.133 177.452 176.300 0.032 0.000 0.972 226 R CA 1.269 57.387 56.100 0.031 0.000 1.047 226 R CB 0.317 30.636 30.300 0.031 0.000 0.932 226 R HN 0.945 nan 8.270 nan 0.000 0.411 227 G N 1.759 110.581 108.800 0.036 0.000 2.307 227 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.210 227 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.210 227 G C 0.154 175.071 174.900 0.028 0.000 1.005 227 G CA 0.009 45.125 45.100 0.027 0.000 0.634 227 G HN 0.690 nan 8.290 nan 0.000 0.496 228 T N -0.922 113.662 114.554 0.049 0.000 2.804 228 T HA 0.800 5.150 4.350 -0.000 0.000 0.290 228 T C 0.339 175.089 174.700 0.083 0.000 1.099 228 T CA 0.489 62.625 62.100 0.059 0.000 1.011 228 T CB 1.718 70.628 68.868 0.071 0.000 1.291 228 T HN 1.355 nan 8.240 nan 0.000 0.523 229 S N -0.244 115.502 115.700 0.076 0.000 2.690 229 S HA 0.886 5.356 4.470 -0.000 0.000 0.285 229 S C -0.426 174.082 174.600 -0.153 0.000 1.135 229 S CA -0.447 57.737 58.200 -0.028 0.000 1.020 229 S CB 0.235 63.453 63.200 0.031 0.000 1.159 229 S HN 1.512 nan 8.310 nan 0.000 0.534 230 H N -3.278 115.446 119.070 -0.577 0.000 2.883 230 H HA 0.378 4.934 4.556 -0.000 0.000 0.266 230 H C -1.455 173.474 175.328 -0.665 0.000 1.446 230 H CA -1.094 54.340 56.048 -1.023 0.000 1.179 230 H CB -0.022 29.466 29.762 -0.456 0.000 1.806 230 H HN 0.605 nan 8.280 nan 0.000 0.467 231 M N 1.371 120.773 119.600 -0.331 0.000 2.211 231 M HA 0.323 4.803 4.480 -0.000 0.000 0.356 231 M C -0.576 175.836 176.300 0.186 0.000 1.216 231 M CA -0.153 55.116 55.300 -0.051 0.000 1.134 231 M CB 0.930 33.468 32.600 -0.104 0.000 1.564 231 M HN 0.447 nan 8.290 nan 0.000 0.463 232 K N 1.209 121.707 120.400 0.164 0.000 2.118 232 K HA 0.793 5.113 4.320 -0.000 0.000 0.254 232 K C 0.132 176.865 176.600 0.222 0.000 0.961 232 K CA 0.238 56.632 56.287 0.180 0.000 0.876 232 K CB 1.683 34.211 32.500 0.046 0.000 1.077 232 K HN 0.859 nan 8.250 nan 0.000 0.440 233 G N 0.973 109.856 108.800 0.139 0.000 2.660 233 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.247 233 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.247 233 G C -1.171 173.694 174.900 -0.058 0.000 1.328 233 G CA -0.840 44.264 45.100 0.007 0.000 0.884 233 G HN 0.516 nan 8.290 nan 0.000 0.531 234 E N -0.523 119.556 120.200 -0.203 0.000 2.266 234 E HA 0.560 4.910 4.350 -0.000 0.000 0.277 234 E C -1.120 175.159 176.600 -0.534 0.000 1.018 234 E CA -0.150 56.153 56.400 -0.163 0.000 0.840 234 E CB 1.122 30.806 29.700 -0.027 0.000 1.082 234 E HN 0.406 nan 8.360 nan 0.000 0.395 235 Y N 1.863 122.263 120.300 0.167 0.000 2.406 235 Y HA 0.260 4.809 4.550 -0.000 0.000 0.340 235 Y C -2.198 173.876 175.900 0.290 0.000 0.975 235 Y CA -2.708 55.512 58.100 0.201 0.000 1.056 235 Y CB 1.761 40.325 38.460 0.173 0.000 1.210 235 Y HN 0.384 nan 8.280 nan 0.000 0.448 236 P HA 0.193 nan 4.420 nan 0.000 0.276 236 P C -1.045 176.612 177.300 0.595 0.000 1.230 236 P CA 0.210 63.537 63.100 0.379 0.000 0.776 236 P CB 0.811 32.680 31.700 0.282 0.000 0.888 237 F N -0.410 119.725 119.950 0.308 0.000 2.715 237 F HA 0.816 5.343 4.527 -0.000 0.000 0.318 237 F C -1.360 174.601 175.800 0.268 0.000 1.141 237 F CA -0.876 57.294 58.000 0.284 0.000 0.950 237 F CB 1.245 40.349 39.000 0.172 0.000 1.374 237 F HN 0.140 nan 8.300 nan 0.000 0.477 238 T N 2.041 116.903 114.554 0.514 0.000 2.909 238 T HA 0.570 4.920 4.350 -0.000 0.000 0.299 238 T C -0.878 174.028 174.700 0.344 0.000 1.073 238 T CA -0.518 61.752 62.100 0.284 0.000 0.999 238 T CB 1.829 70.886 68.868 0.316 0.000 1.098 238 T HN 0.612 nan 8.240 nan 0.000 0.477 239 I N 3.316 124.022 120.570 0.227 0.000 2.321 239 I HA 0.431 4.601 4.170 -0.000 0.000 0.291 239 I C 1.033 177.257 176.117 0.179 0.000 0.998 239 I CA -0.440 60.996 61.300 0.226 0.000 1.227 239 I CB 1.291 39.420 38.000 0.216 0.000 1.368 239 I HN 0.796 nan 8.210 nan 0.000 0.466 240 T N 0.096 114.754 114.554 0.174 0.000 2.644 240 T HA 0.268 4.618 4.350 -0.000 0.000 0.253 240 T C 0.595 175.374 174.700 0.131 0.000 0.910 240 T CA -0.550 61.628 62.100 0.130 0.000 1.066 240 T CB 1.301 70.244 68.868 0.125 0.000 1.484 240 T HN 0.416 nan 8.240 nan 0.000 0.560 241 D N 0.024 120.383 120.400 -0.069 0.000 2.363 241 D HA 0.012 4.652 4.640 -0.000 0.000 0.220 241 D C 0.808 176.945 176.300 -0.271 0.000 0.994 241 D CA 0.710 54.577 54.000 -0.221 0.000 0.890 241 D CB -0.037 40.511 40.800 -0.419 0.000 0.906 241 D HN 0.485 nan 8.370 nan 0.000 0.530 242 H N -0.610 118.547 119.070 0.145 0.000 2.592 242 H HA 0.349 4.905 4.556 -0.000 0.000 0.279 242 H C 1.517 176.916 175.328 0.118 0.000 1.089 242 H CA 0.525 56.656 56.048 0.137 0.000 1.150 242 H CB 0.915 30.761 29.762 0.139 0.000 1.575 242 H HN 0.100 nan 8.280 nan 0.000 0.547 243 G N 1.071 109.878 108.800 0.013 0.000 2.508 243 G HA2 -0.246 3.713 3.960 -0.000 0.000 0.220 243 G HA3 -0.246 3.713 3.960 -0.000 0.000 0.220 243 G C -0.299 174.592 174.900 -0.015 0.000 1.287 243 G CA -0.417 44.534 45.100 -0.247 0.000 0.916 243 G HN 0.180 nan 8.290 nan 0.000 0.574 244 I N 1.453 122.019 120.570 -0.006 0.000 2.529 244 I HA 0.385 4.555 4.170 -0.000 0.000 0.284 244 I C 0.376 176.526 176.117 0.055 0.000 1.082 244 I CA 0.024 61.362 61.300 0.063 0.000 1.406 244 I CB 1.203 39.168 38.000 -0.057 0.000 1.405 244 I HN 0.552 nan 8.210 nan 0.000 0.548 245 N N 6.343 125.106 118.700 0.105 0.000 2.480 245 N HA 0.559 5.299 4.740 -0.000 0.000 0.289 245 N C -1.367 174.023 175.510 -0.201 0.000 1.073 245 N CA -0.419 52.592 53.050 -0.065 0.000 0.885 245 N CB 1.139 39.595 38.487 -0.052 0.000 1.421 245 N HN 0.361 nan 8.380 nan 0.000 0.503 246 I N 2.602 122.990 120.570 -0.304 0.000 2.441 246 I HA 0.445 4.615 4.170 -0.000 0.000 0.295 246 I C -0.893 174.948 176.117 -0.459 0.000 0.994 246 I CA -0.820 60.350 61.300 -0.217 0.000 1.144 246 I CB 1.317 39.317 38.000 -0.000 0.000 1.314 246 I HN 0.382 nan 8.210 nan 0.000 0.445 247 F N 5.576 125.646 119.950 0.199 0.000 2.325 247 F HA 0.406 4.933 4.527 -0.000 0.000 0.369 247 F C -2.255 173.652 175.800 0.178 0.000 1.095 247 F CA -2.430 55.663 58.000 0.154 0.000 1.082 247 F CB 0.796 39.884 39.000 0.145 0.000 1.289 247 F HN 0.194 nan 8.300 nan 0.000 0.462 248 P HA 0.205 nan 4.420 nan 0.000 0.238 248 P C 0.823 178.244 177.300 0.202 0.000 1.794 248 P CA 0.053 63.191 63.100 0.063 0.000 1.088 248 P CB 0.192 31.809 31.700 -0.139 0.000 1.923 249 L N 0.076 121.494 121.223 0.325 0.000 2.349 249 L HA -0.084 4.256 4.340 -0.000 0.000 0.220 249 L C 2.030 179.006 176.870 0.177 0.000 1.130 249 L CA 1.488 56.459 54.840 0.219 0.000 0.791 249 L CB -0.647 41.520 42.059 0.180 0.000 0.918 249 L HN 0.348 nan 8.230 nan 0.000 0.444 250 G N -1.212 107.736 108.800 0.247 0.000 3.126 250 G HA2 0.269 4.229 3.960 -0.000 0.000 0.224 250 G HA3 0.269 4.229 3.960 -0.000 0.000 0.224 250 G C 1.269 176.245 174.900 0.128 0.000 1.142 250 G CA 0.526 45.740 45.100 0.189 0.000 0.759 250 G HN 0.358 nan 8.290 nan 0.000 0.550 251 A N -0.015 122.863 122.820 0.096 0.000 2.348 251 A HA 0.506 4.826 4.320 -0.000 0.000 0.224 251 A C 1.038 178.650 177.584 0.048 0.000 1.227 251 A CA -0.268 51.797 52.037 0.045 0.000 0.885 251 A CB -0.123 18.875 19.000 -0.004 0.000 0.933 251 A HN 0.361 nan 8.150 nan 0.000 0.506 252 M N 1.714 121.353 119.600 0.066 0.000 2.184 252 M HA 0.220 4.700 4.480 -0.000 0.000 0.351 252 M C -0.199 176.124 176.300 0.038 0.000 1.395 252 M CA -0.085 55.250 55.300 0.059 0.000 1.117 252 M CB 0.317 32.959 32.600 0.070 0.000 1.708 252 M HN 0.263 nan 8.290 nan 0.000 0.468 253 R N 3.283 123.800 120.500 0.029 0.000 2.500 253 R HA 0.283 4.623 4.340 -0.000 0.000 0.275 253 R C -0.362 175.944 176.300 0.010 0.000 1.051 253 R CA -0.777 55.332 56.100 0.016 0.000 1.088 253 R CB 0.745 31.050 30.300 0.008 0.000 1.063 253 R HN 0.612 nan 8.270 nan 0.000 0.511 254 L N 2.428 123.653 121.223 0.003 0.000 2.727 254 L HA 0.152 4.492 4.340 -0.000 0.000 0.237 254 L C -0.301 176.565 176.870 -0.007 0.000 1.370 254 L CA 0.864 55.702 54.840 -0.004 0.000 1.248 254 L CB -0.171 41.885 42.059 -0.005 0.000 1.556 254 L HN 0.592 nan 8.230 nan 0.000 0.420 255 T N -0.210 114.340 114.554 -0.006 0.000 3.448 255 T HA 0.217 4.567 4.350 -0.000 0.000 0.271 255 T C 0.066 174.759 174.700 -0.012 0.000 1.002 255 T CA -0.466 61.628 62.100 -0.009 0.000 0.995 255 T CB -0.036 68.828 68.868 -0.007 0.000 1.153 255 T HN 0.329 nan 8.240 nan 0.000 0.510 256 Q N 1.281 121.072 119.800 -0.015 0.000 2.288 256 Q HA 0.373 4.713 4.340 -0.000 0.000 0.254 256 Q C -0.030 175.956 176.000 -0.023 0.000 0.932 256 Q CA -0.325 55.467 55.803 -0.019 0.000 0.902 256 Q CB 1.506 30.232 28.738 -0.019 0.000 1.203 256 Q HN 0.354 nan 8.270 nan 0.000 0.415 257 R N 0.955 121.442 120.500 -0.022 0.000 2.570 257 R HA 0.162 4.502 4.340 -0.000 0.000 0.277 257 R C -0.061 176.222 176.300 -0.029 0.000 1.039 257 R CA 0.198 56.285 56.100 -0.022 0.000 1.065 257 R CB 0.542 30.832 30.300 -0.016 0.000 0.964 257 R HN 0.540 nan 8.270 nan 0.000 0.428 258 S N 1.533 117.209 115.700 -0.041 0.000 2.707 258 S HA 0.282 4.752 4.470 -0.000 0.000 0.312 258 S C -0.485 174.071 174.600 -0.075 0.000 1.116 258 S CA -0.651 57.508 58.200 -0.069 0.000 1.078 258 S CB 0.925 64.067 63.200 -0.097 0.000 0.997 258 S HN 0.639 nan 8.310 nan 0.000 0.477 259 S N 3.752 119.415 115.700 -0.062 0.000 2.745 259 S HA 0.516 4.986 4.470 -0.000 0.000 0.292 259 S C 0.385 174.946 174.600 -0.066 0.000 1.133 259 S CA -0.622 57.561 58.200 -0.028 0.000 0.998 259 S CB 1.234 64.455 63.200 0.035 0.000 1.087 259 S HN 0.685 nan 8.310 nan 0.000 0.551 260 N N -0.206 118.523 118.700 0.049 0.000 2.184 260 N HA 0.194 4.934 4.740 -0.000 0.000 0.206 260 N C -0.316 175.440 175.510 0.409 0.000 1.151 260 N CA 0.051 53.217 53.050 0.194 0.000 0.878 260 N CB 0.504 39.083 38.487 0.153 0.000 1.014 260 N HN 0.435 nan 8.380 nan 0.000 0.512 261 V N 2.565 122.642 119.914 0.272 0.000 2.788 261 V HA 0.016 4.136 4.120 -0.000 0.000 0.307 261 V C 0.858 177.112 176.094 0.267 0.000 1.069 261 V CA 0.276 62.706 62.300 0.217 0.000 1.173 261 V CB 0.538 32.446 31.823 0.141 0.000 0.925 261 V HN 0.109 nan 8.190 nan 0.000 0.492 262 R N 2.648 123.228 120.500 0.133 0.000 2.828 262 R HA 0.867 5.207 4.340 -0.000 0.000 0.264 262 R C -1.140 175.193 176.300 0.055 0.000 1.022 262 R CA -0.591 55.540 56.100 0.052 0.000 1.021 262 R CB 2.016 32.291 30.300 -0.042 0.000 1.163 262 R HN 0.518 nan 8.270 nan 0.000 0.494 263 V N -0.847 119.097 119.914 0.049 0.000 3.147 263 V HA 0.353 4.473 4.120 -0.000 0.000 0.306 263 V C -0.019 176.052 176.094 -0.038 0.000 1.209 263 V CA -1.037 61.282 62.300 0.033 0.000 1.023 263 V CB 1.952 33.829 31.823 0.090 0.000 1.059 263 V HN 0.788 nan 8.190 nan 0.000 0.435 264 S N 0.635 116.289 115.700 -0.077 0.000 2.617 264 S HA 0.340 4.810 4.470 -0.000 0.000 0.269 264 S C 1.234 175.723 174.600 -0.185 0.000 1.292 264 S CA 0.215 58.322 58.200 -0.154 0.000 1.010 264 S CB 1.370 64.502 63.200 -0.113 0.000 0.944 264 S HN 1.257 nan 8.310 nan 0.000 0.536 265 S N 1.992 117.490 115.700 -0.338 0.000 2.524 265 S HA 0.320 4.790 4.470 -0.000 0.000 0.216 265 S C 1.411 176.005 174.600 -0.010 0.000 0.987 265 S CA 0.494 58.536 58.200 -0.264 0.000 0.909 265 S CB 0.013 62.787 63.200 -0.710 0.000 0.781 265 S HN 1.824 nan 8.310 nan 0.000 0.521 266 G N 0.147 108.903 108.800 -0.073 0.000 2.175 266 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.244 266 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.244 266 G C -0.084 174.784 174.900 -0.053 0.000 0.982 266 G CA -0.057 45.023 45.100 -0.032 0.000 0.641 266 G HN 0.908 nan 8.290 nan 0.000 0.527 267 V N 1.233 121.091 119.914 -0.093 0.000 2.524 267 V HA 0.410 4.530 4.120 -0.000 0.000 0.297 267 V C 1.467 177.496 176.094 -0.108 0.000 1.035 267 V CA -0.229 62.014 62.300 -0.095 0.000 0.867 267 V CB 1.522 33.281 31.823 -0.107 0.000 1.004 267 V HN 0.137 nan 8.190 nan 0.000 0.426 268 V N 3.842 123.709 119.914 -0.078 0.000 2.261 268 V HA -0.192 3.928 4.120 -0.000 0.000 0.246 268 V C 2.479 178.535 176.094 -0.062 0.000 1.047 268 V CA 2.083 64.341 62.300 -0.069 0.000 1.015 268 V CB -0.747 31.049 31.823 -0.046 0.000 0.642 268 V HN 0.897 nan 8.190 nan 0.000 0.446 269 R N 0.156 120.626 120.500 -0.050 0.000 2.117 269 R HA -0.159 4.180 4.340 -0.000 0.000 0.243 269 R C 2.150 178.424 176.300 -0.042 0.000 1.143 269 R CA 1.668 57.748 56.100 -0.034 0.000 0.968 269 R CB -0.855 29.429 30.300 -0.027 0.000 0.863 269 R HN 0.536 nan 8.270 nan 0.000 0.444 270 L N -0.048 121.127 121.223 -0.080 0.000 1.994 270 L HA -0.244 4.096 4.340 -0.000 0.000 0.208 270 L C 1.599 178.411 176.870 -0.096 0.000 1.071 270 L CA 1.952 56.736 54.840 -0.093 0.000 0.745 270 L CB -0.519 41.459 42.059 -0.135 0.000 0.892 270 L HN 0.348 nan 8.230 nan 0.000 0.431 271 D N -0.233 120.075 120.400 -0.154 0.000 2.157 271 D HA -0.273 4.367 4.640 -0.000 0.000 0.191 271 D C 1.924 178.201 176.300 -0.039 0.000 1.004 271 D CA 1.805 55.712 54.000 -0.155 0.000 0.854 271 D CB -0.075 40.635 40.800 -0.151 0.000 0.936 271 D HN 0.510 nan 8.370 nan 0.000 0.446 272 E N 0.164 120.364 120.200 -0.000 0.000 2.038 272 E HA -0.160 4.190 4.350 -0.000 0.000 0.195 272 E C 2.359 179.055 176.600 0.161 0.000 1.000 272 E CA 0.850 57.297 56.400 0.078 0.000 0.803 272 E CB -0.132 29.608 29.700 0.067 0.000 0.750 272 E HN 0.255 nan 8.360 nan 0.000 0.448 273 M N 0.104 119.757 119.600 0.089 0.000 2.143 273 M HA -0.210 4.270 4.480 -0.000 0.000 0.258 273 M C 1.883 178.190 176.300 0.011 0.000 1.071 273 M CA 0.983 56.313 55.300 0.051 0.000 1.088 273 M CB -0.244 32.362 32.600 0.009 0.000 1.360 273 M HN 0.198 nan 8.290 nan 0.000 0.404 274 C N 0.951 120.278 119.300 0.046 0.000 2.449 274 C HA 0.282 4.742 4.460 -0.000 0.000 0.322 274 C C 1.558 176.616 174.990 0.114 0.000 1.309 274 C CA -0.034 59.023 59.018 0.064 0.000 1.657 274 C CB -2.103 25.692 27.740 0.092 0.000 1.718 274 C HN 0.848 nan 8.230 nan 0.000 0.596 275 G N 0.821 109.792 108.800 0.286 0.000 2.341 275 G HA2 0.077 4.037 3.960 -0.000 0.000 0.292 275 G HA3 0.077 4.037 3.960 -0.000 0.000 0.292 275 G C 0.764 175.764 174.900 0.167 0.000 1.021 275 G CA 0.434 45.817 45.100 0.471 0.000 0.905 275 G HN 1.601 nan 8.290 nan 0.000 0.508 276 G N -2.343 106.499 108.800 0.070 0.000 2.157 276 G HA2 0.549 4.509 3.960 -0.000 0.000 0.118 276 G HA3 0.549 4.509 3.960 -0.000 0.000 0.118 276 G C 1.497 176.347 174.900 -0.083 0.000 1.032 276 G CA 0.620 45.711 45.100 -0.014 0.000 0.697 276 G HN 2.872 nan 8.290 nan 0.000 0.495 277 G N -1.332 107.401 108.800 -0.112 0.000 2.746 277 G HA2 0.144 4.104 3.960 -0.000 0.000 0.685 277 G HA3 0.144 4.104 3.960 -0.000 0.000 0.685 277 G C 0.078 174.909 174.900 -0.116 0.000 1.350 277 G CA -0.340 44.641 45.100 -0.198 0.000 0.837 277 G HN 1.106 nan 8.290 nan 0.000 0.564 278 F N -0.851 119.057 119.950 -0.070 0.000 2.485 278 F HA 0.518 5.045 4.527 -0.000 0.000 0.327 278 F C 1.290 177.025 175.800 -0.109 0.000 1.203 278 F CA -0.508 57.454 58.000 -0.063 0.000 1.295 278 F CB 0.459 39.513 39.000 0.091 0.000 1.191 278 F HN 0.309 nan 8.300 nan 0.000 0.588 279 F N 1.240 121.355 119.950 0.274 0.000 2.399 279 F HA 0.154 4.681 4.527 -0.000 0.000 0.342 279 F C 1.386 177.286 175.800 0.166 0.000 1.106 279 F CA -0.351 57.750 58.000 0.169 0.000 1.196 279 F CB 1.207 40.274 39.000 0.111 0.000 1.163 279 F HN 0.478 nan 8.300 nan 0.000 0.547 280 K N 0.912 121.524 120.400 0.354 0.000 2.009 280 K HA -0.162 4.158 4.320 -0.000 0.000 0.210 280 K C -0.056 176.669 176.600 0.209 0.000 1.049 280 K CA 1.462 57.890 56.287 0.235 0.000 0.929 280 K CB -0.043 32.555 32.500 0.164 0.000 0.714 280 K HN 0.524 nan 8.250 nan 0.000 0.440 281 D N 1.514 122.025 120.400 0.186 0.000 2.508 281 D HA 0.078 4.718 4.640 -0.000 0.000 0.224 281 D C -0.838 175.534 176.300 0.120 0.000 1.171 281 D CA 0.252 54.317 54.000 0.109 0.000 1.006 281 D CB 0.665 41.486 40.800 0.035 0.000 1.073 281 D HN 0.281 nan 8.370 nan 0.000 0.513 282 S N 0.842 116.626 115.700 0.140 0.000 2.565 282 S HA 0.443 4.913 4.470 -0.000 0.000 0.274 282 S C -1.301 173.354 174.600 0.092 0.000 1.144 282 S CA -1.042 57.228 58.200 0.117 0.000 0.849 282 S CB 1.189 64.500 63.200 0.184 0.000 1.103 282 S HN 0.043 nan 8.310 nan 0.000 0.455 283 I N 3.192 123.803 120.570 0.067 0.000 2.330 283 I HA 0.426 4.596 4.170 -0.000 0.000 0.289 283 I C -0.492 175.629 176.117 0.007 0.000 1.001 283 I CA -0.762 60.606 61.300 0.113 0.000 1.193 283 I CB 1.098 39.150 38.000 0.087 0.000 1.345 283 I HN 0.639 nan 8.210 nan 0.000 0.461 284 I N 6.951 127.482 120.570 -0.065 0.000 2.460 284 I HA 0.445 4.615 4.170 -0.000 0.000 0.298 284 I C -0.307 175.753 176.117 -0.095 0.000 0.989 284 I CA -1.021 60.126 61.300 -0.255 0.000 1.173 284 I CB 1.930 39.514 38.000 -0.694 0.000 1.338 284 I HN 0.311 nan 8.210 nan 0.000 0.456 285 L N 4.955 126.114 121.223 -0.107 0.000 2.381 285 L HA 0.803 5.143 4.340 -0.000 0.000 0.274 285 L C -0.570 176.262 176.870 -0.064 0.000 0.988 285 L CA -0.198 54.622 54.840 -0.033 0.000 0.824 285 L CB 1.581 43.626 42.059 -0.023 0.000 1.263 285 L HN 0.742 nan 8.230 nan 0.000 0.410 286 A N 3.197 125.992 122.820 -0.042 0.000 2.304 286 A HA 0.850 5.170 4.320 -0.000 0.000 0.314 286 A C -0.656 176.914 177.584 -0.023 0.000 1.187 286 A CA -0.335 51.674 52.037 -0.047 0.000 0.810 286 A CB 0.813 19.780 19.000 -0.056 0.000 1.183 286 A HN 0.690 nan 8.150 nan 0.000 0.487 287 T N 0.261 114.792 114.554 -0.038 0.000 2.893 287 T HA 0.916 5.266 4.350 -0.000 0.000 0.291 287 T C 0.033 174.708 174.700 -0.042 0.000 1.028 287 T CA -0.240 61.839 62.100 -0.035 0.000 0.995 287 T CB 2.079 70.910 68.868 -0.063 0.000 1.051 287 T HN 1.794 nan 8.240 nan 0.000 0.470 288 G N -0.077 108.706 108.800 -0.028 0.000 2.368 288 G HA2 0.637 4.597 3.960 -0.000 0.000 0.293 288 G HA3 0.637 4.597 3.960 -0.000 0.000 0.293 288 G C -0.996 173.902 174.900 -0.004 0.000 1.467 288 G CA -0.369 44.708 45.100 -0.038 0.000 0.804 288 G HN 0.931 nan 8.290 nan 0.000 0.535 289 A N -0.151 122.678 122.820 0.015 0.000 2.366 289 A HA 0.665 4.985 4.320 -0.000 0.000 0.250 289 A C 1.171 178.834 177.584 0.132 0.000 1.099 289 A CA 0.972 53.090 52.037 0.135 0.000 0.794 289 A CB 0.072 19.280 19.000 0.346 0.000 1.056 289 A HN 1.888 nan 8.150 nan 0.000 0.499 290 T N -0.537 114.121 114.554 0.173 0.000 2.946 290 T HA 0.385 4.735 4.350 -0.000 0.000 0.312 290 T C 1.515 176.348 174.700 0.222 0.000 1.066 290 T CA 1.883 64.071 62.100 0.148 0.000 1.138 290 T CB -0.230 68.702 68.868 0.107 0.000 1.014 290 T HN 2.357 nan 8.240 nan 0.000 0.544 291 G N 2.919 111.829 108.800 0.182 0.000 2.225 291 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.254 291 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.254 291 G C 1.135 176.140 174.900 0.176 0.000 0.988 291 G CA 1.157 46.401 45.100 0.241 0.000 0.625 291 G HN 1.311 nan 8.290 nan 0.000 0.527 292 T N -1.615 112.928 114.554 -0.019 0.000 2.962 292 T HA 0.359 4.709 4.350 -0.000 0.000 0.270 292 T C 2.383 177.123 174.700 0.067 0.000 1.088 292 T CA 1.869 63.866 62.100 -0.171 0.000 1.127 292 T CB -0.024 68.688 68.868 -0.262 0.000 0.883 292 T HN 2.311 nan 8.240 nan 0.000 0.493 293 G N 0.831 109.687 108.800 0.093 0.000 2.143 293 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.175 293 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.175 293 G C 0.602 175.513 174.900 0.018 0.000 1.004 293 G CA 0.166 45.318 45.100 0.088 0.000 0.671 293 G HN 0.467 nan 8.290 nan 0.000 0.512 294 K N 0.275 120.696 120.400 0.034 0.000 2.063 294 K HA -0.003 4.317 4.320 -0.000 0.000 0.208 294 K C 2.619 179.236 176.600 0.028 0.000 1.048 294 K CA 2.161 58.457 56.287 0.015 0.000 0.928 294 K CB -0.437 32.084 32.500 0.034 0.000 0.713 294 K HN 0.380 nan 8.250 nan 0.000 0.442 295 T N 1.443 116.048 114.554 0.084 0.000 2.833 295 T HA -0.129 4.221 4.350 -0.000 0.000 0.269 295 T C 1.592 176.328 174.700 0.060 0.000 1.054 295 T CA 1.072 63.260 62.100 0.146 0.000 1.135 295 T CB -0.227 68.795 68.868 0.257 0.000 0.869 295 T HN 0.065 nan 8.240 nan 0.000 0.466 296 L N 1.298 122.393 121.223 -0.213 0.000 1.994 296 L HA 0.038 4.378 4.340 -0.000 0.000 0.208 296 L C 2.182 178.872 176.870 -0.300 0.000 1.071 296 L CA 1.608 56.018 54.840 -0.716 0.000 0.745 296 L CB -0.959 40.469 42.059 -1.051 0.000 0.892 296 L HN 0.231 nan 8.230 nan 0.000 0.431 297 L N -1.507 119.614 121.223 -0.171 0.000 2.081 297 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 297 L C 2.516 179.424 176.870 0.064 0.000 1.080 297 L CA 1.210 56.013 54.840 -0.062 0.000 0.754 297 L CB -0.755 41.270 42.059 -0.057 0.000 0.893 297 L HN 0.184 nan 8.230 nan 0.000 0.433 298 V N -0.795 119.166 119.914 0.078 0.000 2.261 298 V HA -0.300 3.820 4.120 -0.000 0.000 0.246 298 V C 2.598 178.864 176.094 0.286 0.000 1.047 298 V CA 2.101 64.504 62.300 0.171 0.000 1.015 298 V CB -0.195 31.719 31.823 0.151 0.000 0.642 298 V HN 0.401 nan 8.190 nan 0.000 0.446 299 S N -0.500 115.365 115.700 0.275 0.000 2.359 299 S HA -0.306 4.164 4.470 -0.000 0.000 0.223 299 S C 2.107 176.899 174.600 0.319 0.000 1.039 299 S CA 2.153 60.603 58.200 0.417 0.000 1.042 299 S CB -0.437 62.933 63.200 0.284 0.000 0.915 299 S HN 0.455 nan 8.310 nan 0.000 0.439 300 R N 0.321 120.916 120.500 0.159 0.000 2.152 300 R HA 0.035 4.375 4.340 -0.000 0.000 0.232 300 R C 1.783 178.185 176.300 0.170 0.000 1.117 300 R CA 1.014 57.182 56.100 0.112 0.000 0.981 300 R CB -0.517 29.790 30.300 0.012 0.000 0.870 300 R HN 0.499 nan 8.270 nan 0.000 0.451 301 F N -1.219 118.776 119.950 0.075 0.000 2.416 301 F HA 0.051 4.577 4.527 -0.000 0.000 0.296 301 F C 1.600 177.457 175.800 0.095 0.000 1.099 301 F CA 0.637 58.690 58.000 0.089 0.000 1.427 301 F CB 0.010 39.089 39.000 0.131 0.000 1.079 301 F HN -0.166 nan 8.300 nan 0.000 0.536 302 V N 0.523 120.538 119.914 0.170 0.000 2.379 302 V HA -0.177 3.943 4.120 -0.000 0.000 0.243 302 V C 2.435 178.552 176.094 0.039 0.000 1.035 302 V CA 2.010 64.343 62.300 0.055 0.000 1.035 302 V CB -0.286 31.613 31.823 0.127 0.000 0.673 302 V HN 0.401 nan 8.190 nan 0.000 0.457 303 E N 0.469 120.767 120.200 0.164 0.000 2.058 303 E HA -0.307 4.043 4.350 -0.000 0.000 0.194 303 E C 2.098 178.724 176.600 0.044 0.000 0.997 303 E CA 1.624 58.119 56.400 0.158 0.000 0.801 303 E CB -0.388 29.435 29.700 0.204 0.000 0.746 303 E HN 0.608 nan 8.360 nan 0.000 0.450 304 N N 0.544 119.242 118.700 -0.003 0.000 2.258 304 N HA -0.173 4.567 4.740 -0.000 0.000 0.187 304 N C 1.521 176.979 175.510 -0.087 0.000 1.012 304 N CA 1.336 54.355 53.050 -0.053 0.000 0.870 304 N CB -0.110 38.329 38.487 -0.080 0.000 0.977 304 N HN 0.230 nan 8.380 nan 0.000 0.434 305 A N -0.571 122.172 122.820 -0.129 0.000 2.167 305 A HA 0.027 4.347 4.320 -0.000 0.000 0.214 305 A C 2.496 180.048 177.584 -0.054 0.000 1.151 305 A CA 0.429 52.394 52.037 -0.120 0.000 0.735 305 A CB -0.351 18.547 19.000 -0.171 0.000 0.802 305 A HN 0.530 nan 8.150 nan 0.000 0.467 306 C N -1.558 117.728 119.300 -0.023 0.000 2.538 306 C HA 0.286 4.746 4.460 -0.000 0.000 0.281 306 C C 3.088 178.081 174.990 0.005 0.000 1.320 306 C CA 0.401 59.423 59.018 0.006 0.000 1.714 306 C CB -0.960 26.802 27.740 0.036 0.000 2.095 306 C HN 0.691 nan 8.230 nan 0.000 0.497 307 A N 0.949 123.772 122.820 0.005 0.000 2.186 307 A HA -0.139 4.181 4.320 -0.000 0.000 0.219 307 A C 1.450 179.029 177.584 -0.009 0.000 1.159 307 A CA 1.503 53.542 52.037 0.003 0.000 0.680 307 A CB -0.456 18.545 19.000 0.002 0.000 0.787 307 A HN 0.717 nan 8.150 nan 0.000 0.467 308 N N -0.372 118.317 118.700 -0.019 0.000 2.234 308 N HA 0.092 4.832 4.740 -0.000 0.000 0.227 308 N C -0.717 174.780 175.510 -0.022 0.000 1.151 308 N CA 0.011 53.047 53.050 -0.023 0.000 0.865 308 N CB 0.309 38.776 38.487 -0.034 0.000 1.066 308 N HN 0.400 nan 8.380 nan 0.000 0.515 309 K N 0.964 121.354 120.400 -0.016 0.000 3.156 309 K HA -0.208 4.112 4.320 -0.000 0.000 0.266 309 K C -0.736 175.845 176.600 -0.030 0.000 0.966 309 K CA 0.863 57.139 56.287 -0.017 0.000 0.719 309 K CB -1.162 31.329 32.500 -0.015 0.000 1.333 309 K HN 0.452 nan 8.250 nan 0.000 0.468 310 E N 0.186 120.365 120.200 -0.034 0.000 2.299 310 E HA 0.388 4.738 4.350 -0.000 0.000 0.265 310 E C -0.385 176.190 176.600 -0.041 0.000 0.911 310 E CA -1.135 55.237 56.400 -0.047 0.000 0.789 310 E CB 1.656 31.326 29.700 -0.049 0.000 1.246 310 E HN 0.102 nan 8.360 nan 0.000 0.427 311 R N 0.644 121.104 120.500 -0.067 0.000 2.349 311 R HA 0.656 4.996 4.340 -0.000 0.000 0.299 311 R C -0.825 175.537 176.300 0.103 0.000 1.027 311 R CA -0.359 55.722 56.100 -0.032 0.000 0.958 311 R CB 1.378 31.460 30.300 -0.363 0.000 1.047 311 R HN 0.482 nan 8.270 nan 0.000 0.468 312 A N 3.717 126.678 122.820 0.234 0.000 2.515 312 A HA 0.638 4.958 4.320 -0.000 0.000 0.298 312 A C -0.859 176.792 177.584 0.111 0.000 1.059 312 A CA -0.754 51.371 52.037 0.147 0.000 0.698 312 A CB 1.324 20.334 19.000 0.017 0.000 1.289 312 A HN 0.644 nan 8.150 nan 0.000 0.404 313 I N 1.660 122.262 120.570 0.053 0.000 2.433 313 I HA 0.391 4.561 4.170 -0.000 0.000 0.292 313 I C -1.087 174.946 176.117 -0.140 0.000 1.001 313 I CA -0.832 60.360 61.300 -0.181 0.000 1.119 313 I CB 1.913 39.718 38.000 -0.324 0.000 1.289 313 I HN 0.524 nan 8.210 nan 0.000 0.438 314 L N 7.429 128.493 121.223 -0.265 0.000 2.295 314 L HA 0.522 4.862 4.340 -0.000 0.000 0.281 314 L C -1.460 175.296 176.870 -0.190 0.000 1.018 314 L CA -0.055 54.717 54.840 -0.113 0.000 0.841 314 L CB 0.370 42.351 42.059 -0.130 0.000 1.218 314 L HN 0.247 nan 8.230 nan 0.000 0.424 315 F N 4.824 124.766 119.950 -0.012 0.000 2.390 315 F HA 0.662 5.189 4.527 -0.000 0.000 0.361 315 F C 0.814 176.543 175.800 -0.118 0.000 1.124 315 F CA -0.208 57.754 58.000 -0.063 0.000 1.149 315 F CB 1.176 40.262 39.000 0.143 0.000 1.160 315 F HN 0.676 nan 8.300 nan 0.000 0.501 316 A N 3.816 126.543 122.820 -0.155 0.000 2.288 316 A HA 0.569 4.889 4.320 -0.000 0.000 0.320 316 A C -0.960 176.392 177.584 -0.386 0.000 1.217 316 A CA -0.423 51.536 52.037 -0.128 0.000 0.840 316 A CB 0.233 19.190 19.000 -0.072 0.000 1.179 316 A HN 0.787 nan 8.150 nan 0.000 0.504 317 Y N 0.432 120.759 120.300 0.046 0.000 2.557 317 Y HA 0.221 4.771 4.550 -0.000 0.000 0.247 317 Y C 1.329 177.215 175.900 -0.023 0.000 1.164 317 Y CA 0.059 58.159 58.100 -0.000 0.000 1.218 317 Y CB 0.701 39.160 38.460 -0.002 0.000 1.210 317 Y HN 0.801 nan 8.280 nan 0.000 0.529 318 E N -0.268 119.980 120.200 0.080 0.000 2.441 318 E HA 0.132 4.482 4.350 -0.000 0.000 0.212 318 E C -0.078 176.522 176.600 0.000 0.000 0.840 318 E CA 0.161 56.596 56.400 0.058 0.000 1.143 318 E CB 0.855 30.613 29.700 0.098 0.000 1.153 318 E HN 0.343 nan 8.360 nan 0.000 0.539 319 E N 1.284 121.475 120.200 -0.015 0.000 2.227 319 E HA 0.292 4.642 4.350 -0.000 0.000 0.268 319 E C -0.611 175.944 176.600 -0.075 0.000 0.907 319 E CA -0.536 55.850 56.400 -0.023 0.000 0.786 319 E CB 2.033 31.754 29.700 0.034 0.000 1.191 319 E HN -0.019 nan 8.360 nan 0.000 0.411 320 S N 1.324 116.982 115.700 -0.069 0.000 2.596 320 S HA 0.056 4.526 4.470 -0.000 0.000 0.260 320 S C 1.033 175.606 174.600 -0.044 0.000 1.336 320 S CA -0.353 57.800 58.200 -0.079 0.000 0.993 320 S CB 0.786 63.957 63.200 -0.049 0.000 0.923 320 S HN 0.609 nan 8.310 nan 0.000 0.567 321 R N 1.129 121.600 120.500 -0.049 0.000 2.148 321 R HA 0.029 4.369 4.340 -0.000 0.000 0.223 321 R C 2.338 178.644 176.300 0.009 0.000 1.088 321 R CA 1.108 57.191 56.100 -0.027 0.000 0.985 321 R CB -1.038 29.232 30.300 -0.050 0.000 0.880 321 R HN 0.700 nan 8.270 nan 0.000 0.451 322 A N 1.768 124.585 122.820 -0.004 0.000 1.840 322 A HA -0.186 4.134 4.320 -0.000 0.000 0.214 322 A C 2.229 179.816 177.584 0.005 0.000 1.198 322 A CA 1.083 53.120 52.037 -0.001 0.000 0.608 322 A CB -0.553 18.439 19.000 -0.013 0.000 0.839 322 A HN 0.329 nan 8.150 nan 0.000 0.443 323 Q N -0.492 119.306 119.800 -0.003 0.000 2.077 323 Q HA -0.182 4.158 4.340 -0.000 0.000 0.206 323 Q C 2.083 178.088 176.000 0.009 0.000 0.989 323 Q CA 1.668 57.466 55.803 -0.010 0.000 0.853 323 Q CB -0.284 28.448 28.738 -0.011 0.000 0.907 323 Q HN 0.662 nan 8.270 nan 0.000 0.418 324 L N 0.247 121.506 121.223 0.059 0.000 2.089 324 L HA -0.274 4.066 4.340 -0.000 0.000 0.213 324 L C 2.379 179.359 176.870 0.183 0.000 1.079 324 L CA 1.060 55.991 54.840 0.153 0.000 0.758 324 L CB -0.240 41.940 42.059 0.202 0.000 0.891 324 L HN 0.340 nan 8.230 nan 0.000 0.433 325 L N -1.015 120.301 121.223 0.154 0.000 2.068 325 L HA -0.177 4.163 4.340 -0.000 0.000 0.204 325 L C 2.800 179.685 176.870 0.024 0.000 1.076 325 L CA 1.047 55.971 54.840 0.140 0.000 0.753 325 L CB -0.395 41.741 42.059 0.128 0.000 0.910 325 L HN 0.191 nan 8.230 nan 0.000 0.439 326 R N 0.176 120.665 120.500 -0.017 0.000 2.094 326 R HA -0.220 4.120 4.340 -0.000 0.000 0.239 326 R C 2.025 178.253 176.300 -0.120 0.000 1.137 326 R CA 2.207 58.274 56.100 -0.055 0.000 0.943 326 R CB -0.288 29.970 30.300 -0.071 0.000 0.850 326 R HN 0.363 nan 8.270 nan 0.000 0.433 327 N N 0.571 119.144 118.700 -0.211 0.000 2.120 327 N HA -0.143 4.597 4.740 -0.000 0.000 0.188 327 N C 1.606 176.761 175.510 -0.591 0.000 1.024 327 N CA 1.660 54.416 53.050 -0.491 0.000 0.852 327 N CB -0.486 37.717 38.487 -0.474 0.000 1.003 327 N HN 0.390 nan 8.380 nan 0.000 0.424 328 A N 0.020 122.670 122.820 -0.283 0.000 1.873 328 A HA -0.161 4.159 4.320 -0.000 0.000 0.215 328 A C 2.169 179.643 177.584 -0.184 0.000 1.186 328 A CA 1.047 52.923 52.037 -0.268 0.000 0.616 328 A CB -1.057 17.381 19.000 -0.937 0.000 0.823 328 A HN 0.364 nan 8.150 nan 0.000 0.442 329 Y N 1.503 121.664 120.300 -0.231 0.000 2.165 329 Y HA -0.200 4.350 4.550 -0.000 0.000 0.286 329 Y C 2.627 178.457 175.900 -0.117 0.000 1.155 329 Y CA 1.882 59.901 58.100 -0.136 0.000 1.164 329 Y CB -0.276 38.124 38.460 -0.100 0.000 0.978 329 Y HN 0.309 nan 8.280 nan 0.000 0.513 330 S N -1.053 114.584 115.700 -0.105 0.000 2.500 330 S HA -0.167 4.303 4.470 -0.000 0.000 0.239 330 S C 0.727 175.232 174.600 -0.158 0.000 0.989 330 S CA 0.764 58.855 58.200 -0.181 0.000 0.951 330 S CB -0.368 62.661 63.200 -0.285 0.000 0.759 330 S HN 0.541 nan 8.310 nan 0.000 0.523 331 W N 1.600 122.820 121.300 -0.133 0.000 3.102 331 W HA 0.471 5.131 4.660 -0.000 0.000 0.401 331 W C 1.257 177.676 176.519 -0.166 0.000 1.070 331 W CA -0.010 57.262 57.345 -0.121 0.000 1.921 331 W CB -0.852 28.547 29.460 -0.101 0.000 1.118 331 W HN 0.383 nan 8.180 nan 0.000 0.647 332 G N 1.801 110.558 108.800 -0.071 0.000 2.545 332 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.240 332 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.240 332 G C 0.293 175.068 174.900 -0.209 0.000 1.172 332 G CA -0.076 44.922 45.100 -0.169 0.000 0.949 332 G HN 0.353 nan 8.290 nan 0.000 0.574 333 M N -0.511 119.019 119.600 -0.117 0.000 4.021 333 M HA -0.111 4.368 4.480 -0.000 0.000 0.169 333 M C -0.797 175.447 176.300 -0.094 0.000 1.530 333 M CA 1.560 56.811 55.300 -0.081 0.000 1.089 333 M CB -0.668 31.891 32.600 -0.069 0.000 1.356 333 M HN 0.752 nan 8.290 nan 0.000 0.206 334 D N 4.425 124.854 120.400 0.049 0.000 2.428 334 D HA 0.336 4.976 4.640 -0.000 0.000 0.221 334 D C 0.118 176.594 176.300 0.293 0.000 1.123 334 D CA -0.281 53.842 54.000 0.204 0.000 0.869 334 D CB 0.233 41.163 40.800 0.216 0.000 1.032 334 D HN 0.702 nan 8.370 nan 0.000 0.506 335 F N 1.583 121.614 119.950 0.136 0.000 2.325 335 F HA -0.119 4.408 4.527 -0.000 0.000 0.299 335 F C 2.234 178.069 175.800 0.058 0.000 1.090 335 F CA -0.066 57.984 58.000 0.084 0.000 1.392 335 F CB 0.528 39.574 39.000 0.075 0.000 1.053 335 F HN 0.362 nan 8.300 nan 0.000 0.521 336 E N 0.743 121.093 120.200 0.250 0.000 2.048 336 E HA -0.293 4.056 4.350 -0.000 0.000 0.202 336 E C 1.852 178.514 176.600 0.105 0.000 1.021 336 E CA 1.643 58.122 56.400 0.132 0.000 0.825 336 E CB -0.437 29.319 29.700 0.093 0.000 0.756 336 E HN 0.339 nan 8.360 nan 0.000 0.454 337 E N 0.345 120.619 120.200 0.122 0.000 2.031 337 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 337 E C 2.127 178.778 176.600 0.085 0.000 0.994 337 E CA 1.278 57.734 56.400 0.094 0.000 0.800 337 E CB -0.199 29.560 29.700 0.099 0.000 0.752 337 E HN 0.163 nan 8.360 nan 0.000 0.447 338 M N 0.463 120.128 119.600 0.109 0.000 2.108 338 M HA -0.211 4.269 4.480 -0.000 0.000 0.257 338 M C 1.985 178.309 176.300 0.041 0.000 1.071 338 M CA 1.717 57.063 55.300 0.077 0.000 1.093 338 M CB -1.082 31.567 32.600 0.080 0.000 1.345 338 M HN 0.202 nan 8.290 nan 0.000 0.403 339 E N 0.434 120.648 120.200 0.024 0.000 2.017 339 E HA -0.176 4.174 4.350 -0.000 0.000 0.193 339 E C 2.186 178.799 176.600 0.022 0.000 0.997 339 E CA 1.283 57.680 56.400 -0.006 0.000 0.804 339 E CB -0.239 29.452 29.700 -0.015 0.000 0.757 339 E HN 0.560 nan 8.360 nan 0.000 0.448 340 R N 1.071 121.590 120.500 0.031 0.000 2.096 340 R HA -0.163 4.177 4.340 -0.000 0.000 0.229 340 R C 2.414 178.739 176.300 0.043 0.000 1.134 340 R CA 1.528 57.648 56.100 0.033 0.000 0.917 340 R CB -0.477 29.843 30.300 0.033 0.000 0.832 340 R HN 0.225 nan 8.270 nan 0.000 0.430 341 Q N 0.553 120.380 119.800 0.046 0.000 2.534 341 Q HA -0.204 4.136 4.340 -0.000 0.000 0.218 341 Q C -0.097 175.936 176.000 0.056 0.000 0.989 341 Q CA 0.837 56.667 55.803 0.045 0.000 0.903 341 Q CB -0.401 28.364 28.738 0.045 0.000 0.942 341 Q HN 0.337 nan 8.270 nan 0.000 0.501 342 N N -1.422 117.326 118.700 0.081 0.000 2.735 342 N HA -0.196 4.544 4.740 -0.000 0.000 0.248 342 N C -0.078 175.541 175.510 0.182 0.000 1.083 342 N CA 0.505 53.640 53.050 0.142 0.000 0.703 342 N CB -0.973 37.581 38.487 0.111 0.000 1.005 342 N HN 0.284 nan 8.380 nan 0.000 0.550 343 L N -1.794 119.525 121.223 0.161 0.000 2.500 343 L HA 0.259 4.599 4.340 -0.000 0.000 0.219 343 L C 0.587 177.597 176.870 0.235 0.000 1.057 343 L CA 0.186 55.112 54.840 0.143 0.000 0.854 343 L CB 0.204 42.300 42.059 0.062 0.000 1.078 343 L HN 0.233 nan 8.230 nan 0.000 0.480 344 L N 1.320 122.629 121.223 0.143 0.000 2.341 344 L HA 0.446 4.786 4.340 -0.000 0.000 0.278 344 L C -0.988 175.765 176.870 -0.195 0.000 1.005 344 L CA -0.176 54.660 54.840 -0.007 0.000 0.818 344 L CB 1.753 43.743 42.059 -0.115 0.000 1.259 344 L HN 0.025 nan 8.230 nan 0.000 0.418 345 K N 5.847 125.999 120.400 -0.413 0.000 2.413 345 K HA 0.577 4.897 4.320 -0.000 0.000 0.257 345 K C -1.242 175.055 176.600 -0.506 0.000 0.946 345 K CA -0.574 55.334 56.287 -0.633 0.000 0.823 345 K CB 1.633 33.382 32.500 -1.252 0.000 1.109 345 K HN 0.659 nan 8.250 nan 0.000 0.427 346 I N 4.781 125.105 120.570 -0.410 0.000 2.392 346 I HA 0.158 4.328 4.170 -0.000 0.000 0.295 346 I C 0.702 176.614 176.117 -0.340 0.000 0.985 346 I CA -0.658 60.427 61.300 -0.357 0.000 1.221 346 I CB 1.809 39.646 38.000 -0.272 0.000 1.366 346 I HN 0.489 nan 8.210 nan 0.000 0.467 347 V N 3.339 123.039 119.914 -0.356 0.000 2.785 347 V HA 0.118 4.238 4.120 -0.000 0.000 0.226 347 V C 0.067 176.041 176.094 -0.202 0.000 1.127 347 V CA 0.208 62.337 62.300 -0.285 0.000 1.193 347 V CB 0.191 31.820 31.823 -0.322 0.000 0.926 347 V HN 0.973 nan 8.190 nan 0.000 0.507 348 C N 0.712 119.868 119.300 -0.239 0.000 1.623 348 C HA 0.335 4.795 4.460 -0.000 0.000 0.238 348 C C -0.040 174.818 174.990 -0.221 0.000 0.556 348 C CA -0.721 58.146 59.018 -0.253 0.000 2.809 348 C CB -2.246 25.384 27.740 -0.183 0.000 2.108 348 C HN 1.279 nan 8.230 nan 0.000 0.553 349 A N 3.760 126.408 122.820 -0.286 0.000 2.583 349 A HA 0.670 4.990 4.320 -0.000 0.000 0.298 349 A C -1.106 176.505 177.584 0.045 0.000 1.055 349 A CA -0.625 51.368 52.037 -0.072 0.000 0.714 349 A CB 0.635 19.692 19.000 0.095 0.000 1.277 349 A HN 1.042 nan 8.150 nan 0.000 0.406 350 Y N 1.836 122.222 120.300 0.144 0.000 2.425 350 Y HA 0.242 4.792 4.550 -0.000 0.000 0.331 350 Y C -1.385 174.672 175.900 0.262 0.000 1.157 350 Y CA -0.768 57.431 58.100 0.166 0.000 1.372 350 Y CB 0.806 39.328 38.460 0.103 0.000 1.253 350 Y HN 0.552 nan 8.280 nan 0.000 0.536 351 P HA -0.173 nan 4.420 nan 0.000 0.219 351 P C 0.671 178.153 177.300 0.303 0.000 1.146 351 P CA 1.431 64.640 63.100 0.183 0.000 0.808 351 P CB 0.333 32.028 31.700 -0.009 0.000 0.779 352 E N -0.755 119.577 120.200 0.219 0.000 2.347 352 E HA -0.072 4.278 4.350 -0.000 0.000 0.196 352 E C 1.450 178.118 176.600 0.115 0.000 1.008 352 E CA 0.845 57.317 56.400 0.120 0.000 0.852 352 E CB -0.959 28.757 29.700 0.026 0.000 0.783 352 E HN 0.283 nan 8.360 nan 0.000 0.505 353 S N -0.534 115.275 115.700 0.182 0.000 2.906 353 S HA 0.507 4.977 4.470 -0.000 0.000 0.234 353 S C 0.491 175.097 174.600 0.010 0.000 0.973 353 S CA 0.070 58.337 58.200 0.110 0.000 1.036 353 S CB -0.406 62.900 63.200 0.177 0.000 0.798 353 S HN 0.213 nan 8.310 nan 0.000 0.498 354 A N -0.638 122.173 122.820 -0.015 0.000 2.395 354 A HA 0.662 4.982 4.320 -0.000 0.000 0.296 354 A C -0.215 177.320 177.584 -0.081 0.000 0.983 354 A CA -0.542 51.390 52.037 -0.176 0.000 0.581 354 A CB -0.299 18.353 19.000 -0.580 0.000 1.426 354 A HN 0.881 nan 8.150 nan 0.000 0.503 355 G N -1.116 107.624 108.800 -0.099 0.000 2.471 355 G HA2 0.571 4.531 3.960 -0.000 0.000 0.332 355 G HA3 0.571 4.531 3.960 -0.000 0.000 0.332 355 G C 0.522 175.432 174.900 0.018 0.000 1.176 355 G CA -0.496 44.597 45.100 -0.012 0.000 0.949 355 G HN 0.815 nan 8.290 nan 0.000 0.488 356 L N 0.473 121.709 121.223 0.022 0.000 2.021 356 L HA -0.189 4.151 4.340 -0.000 0.000 0.215 356 L C 3.020 179.909 176.870 0.031 0.000 1.074 356 L CA 2.513 57.318 54.840 -0.058 0.000 0.760 356 L CB -0.822 41.179 42.059 -0.096 0.000 0.889 356 L HN 0.906 nan 8.230 nan 0.000 0.433 357 E N -1.118 119.093 120.200 0.017 0.000 2.065 357 E HA -0.276 4.074 4.350 -0.000 0.000 0.201 357 E C 1.630 178.196 176.600 -0.057 0.000 1.016 357 E CA 1.663 58.041 56.400 -0.036 0.000 0.818 357 E CB -0.719 29.005 29.700 0.040 0.000 0.749 357 E HN 0.517 nan 8.360 nan 0.000 0.453 358 D N 0.649 121.034 120.400 -0.024 0.000 2.092 358 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 358 D C 2.054 178.345 176.300 -0.015 0.000 0.994 358 D CA 1.461 55.442 54.000 -0.032 0.000 0.828 358 D CB -0.522 40.207 40.800 -0.119 0.000 0.963 358 D HN 0.334 nan 8.370 nan 0.000 0.450 359 H N 0.926 120.014 119.070 0.030 0.000 2.289 359 H HA -0.109 4.447 4.556 -0.000 0.000 0.294 359 H C 2.408 177.818 175.328 0.137 0.000 1.095 359 H CA 0.612 56.704 56.048 0.074 0.000 1.256 359 H CB -0.686 29.026 29.762 -0.082 0.000 1.359 359 H HN 0.143 nan 8.280 nan 0.000 0.487 360 L N 0.752 122.156 121.223 0.302 0.000 2.042 360 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 360 L C 2.516 179.338 176.870 -0.080 0.000 1.076 360 L CA 1.677 56.603 54.840 0.144 0.000 0.749 360 L CB -0.373 41.646 42.059 -0.067 0.000 0.893 360 L HN 0.363 nan 8.230 nan 0.000 0.432 361 Q N -0.350 119.397 119.800 -0.089 0.000 2.083 361 Q HA -0.195 4.145 4.340 -0.000 0.000 0.198 361 Q C 2.254 178.337 176.000 0.138 0.000 0.969 361 Q CA 1.233 57.080 55.803 0.073 0.000 0.838 361 Q CB 0.118 29.018 28.738 0.270 0.000 0.900 361 Q HN 0.501 nan 8.270 nan 0.000 0.436 362 I N 1.132 121.795 120.570 0.154 0.000 2.264 362 I HA -0.308 3.862 4.170 -0.000 0.000 0.248 362 I C 2.300 178.580 176.117 0.272 0.000 1.111 362 I CA 1.325 62.749 61.300 0.206 0.000 1.382 362 I CB -0.936 37.203 38.000 0.232 0.000 1.060 362 I HN 0.335 nan 8.210 nan 0.000 0.418 363 I N 0.638 121.330 120.570 0.203 0.000 2.163 363 I HA -0.284 3.886 4.170 -0.000 0.000 0.240 363 I C 2.619 178.846 176.117 0.183 0.000 1.081 363 I CA 1.329 62.701 61.300 0.120 0.000 1.353 363 I CB -0.428 37.403 38.000 -0.283 0.000 1.054 363 I HN 0.185 nan 8.210 nan 0.000 0.407 364 K N 0.559 120.967 120.400 0.013 0.000 1.991 364 K HA -0.225 4.095 4.320 -0.000 0.000 0.212 364 K C 2.358 179.025 176.600 0.112 0.000 1.049 364 K CA 2.021 58.240 56.287 -0.113 0.000 0.932 364 K CB -0.390 31.938 32.500 -0.287 0.000 0.717 364 K HN 0.184 nan 8.250 nan 0.000 0.441 365 S N 1.159 116.948 115.700 0.148 0.000 2.380 365 S HA -0.285 4.185 4.470 -0.000 0.000 0.229 365 S C 1.937 176.665 174.600 0.214 0.000 1.050 365 S CA 2.104 60.415 58.200 0.185 0.000 1.100 365 S CB -0.275 63.037 63.200 0.187 0.000 0.984 365 S HN 0.329 nan 8.310 nan 0.000 0.434 366 E N -0.124 120.229 120.200 0.255 0.000 2.338 366 E HA 0.037 4.387 4.350 -0.000 0.000 0.197 366 E C 1.818 178.595 176.600 0.295 0.000 1.007 366 E CA 0.908 57.455 56.400 0.245 0.000 0.849 366 E CB -0.127 29.700 29.700 0.212 0.000 0.774 366 E HN 0.674 nan 8.360 nan 0.000 0.506 367 I N 0.781 121.566 120.570 0.358 0.000 2.617 367 I HA -0.180 3.990 4.170 -0.000 0.000 0.256 367 I C 1.606 177.911 176.117 0.312 0.000 1.167 367 I CA 0.351 61.880 61.300 0.382 0.000 1.469 367 I CB -0.140 38.148 38.000 0.479 0.000 1.098 367 I HN 0.122 nan 8.210 nan 0.000 0.436 368 N N 0.990 119.856 118.700 0.278 0.000 2.171 368 N HA -0.127 4.613 4.740 -0.000 0.000 0.184 368 N C 1.196 176.814 175.510 0.181 0.000 1.021 368 N CA 1.195 54.376 53.050 0.219 0.000 0.854 368 N CB -0.306 38.300 38.487 0.199 0.000 0.994 368 N HN 0.326 nan 8.380 nan 0.000 0.426 369 D N -0.610 119.909 120.400 0.198 0.000 2.348 369 D HA -0.054 4.586 4.640 -0.000 0.000 0.216 369 D C 0.857 177.307 176.300 0.250 0.000 0.970 369 D CA 0.429 54.541 54.000 0.188 0.000 0.889 369 D CB -0.057 40.849 40.800 0.176 0.000 0.912 369 D HN 0.219 nan 8.370 nan 0.000 0.524 370 F N 0.912 120.902 119.950 0.067 0.000 2.767 370 F HA 0.087 4.614 4.527 -0.000 0.000 0.323 370 F C -0.102 175.725 175.800 0.045 0.000 1.091 370 F CA -0.360 57.664 58.000 0.040 0.000 1.192 370 F CB 0.408 39.418 39.000 0.017 0.000 1.056 370 F HN -0.244 nan 8.300 nan 0.000 0.571 371 K N 0.386 120.830 120.400 0.074 0.000 3.213 371 K HA -0.212 4.108 4.320 -0.000 0.000 0.266 371 K C -2.743 173.843 176.600 -0.023 0.000 0.911 371 K CA 0.598 56.894 56.287 0.015 0.000 0.684 371 K CB -3.119 29.355 32.500 -0.044 0.000 1.402 371 K HN 0.190 nan 8.250 nan 0.000 0.465 372 P HA 0.105 nan 4.420 nan 0.000 0.270 372 P C 0.552 177.888 177.300 0.061 0.000 1.227 372 P CA 0.330 63.494 63.100 0.106 0.000 0.788 372 P CB 0.942 32.792 31.700 0.251 0.000 0.926 373 A N 1.380 124.222 122.820 0.037 0.000 2.108 373 A HA 0.180 4.500 4.320 -0.000 0.000 0.206 373 A C 0.804 178.417 177.584 0.048 0.000 1.212 373 A CA 0.603 52.656 52.037 0.025 0.000 0.843 373 A CB 0.063 19.058 19.000 -0.008 0.000 0.902 373 A HN 0.444 nan 8.150 nan 0.000 0.477 374 R N -0.953 119.577 120.500 0.050 0.000 2.686 374 R HA 0.760 5.100 4.340 -0.000 0.000 0.283 374 R C -1.766 174.630 176.300 0.161 0.000 0.978 374 R CA -0.355 55.785 56.100 0.067 0.000 0.897 374 R CB 2.117 32.312 30.300 -0.176 0.000 1.192 374 R HN 0.275 nan 8.270 nan 0.000 0.457 375 I N 0.918 121.643 120.570 0.258 0.000 2.686 375 I HA 0.585 4.755 4.170 -0.000 0.000 0.295 375 I C -1.276 174.969 176.117 0.213 0.000 1.114 375 I CA -0.625 60.829 61.300 0.256 0.000 1.038 375 I CB 2.275 40.440 38.000 0.274 0.000 1.238 375 I HN 0.757 nan 8.210 nan 0.000 0.420 376 A N 7.667 130.611 122.820 0.208 0.000 2.375 376 A HA 0.679 4.999 4.320 -0.000 0.000 0.295 376 A C -1.031 176.634 177.584 0.136 0.000 1.066 376 A CA -0.372 51.708 52.037 0.072 0.000 0.722 376 A CB 0.819 19.932 19.000 0.187 0.000 1.206 376 A HN 0.586 nan 8.150 nan 0.000 0.435 377 I N 2.591 123.155 120.570 -0.009 0.000 2.307 377 I HA 0.150 4.320 4.170 -0.000 0.000 0.287 377 I C -0.537 175.729 176.117 0.248 0.000 1.054 377 I CA -0.409 61.032 61.300 0.235 0.000 1.218 377 I CB 1.132 39.302 38.000 0.283 0.000 1.398 377 I HN 0.559 nan 8.210 nan 0.000 0.475 378 D N 5.717 126.291 120.400 0.291 0.000 2.352 378 D HA 0.110 4.750 4.640 -0.000 0.000 0.245 378 D C 0.064 176.531 176.300 0.280 0.000 1.224 378 D CA 0.720 54.861 54.000 0.235 0.000 0.879 378 D CB 0.540 41.457 40.800 0.194 0.000 1.057 378 D HN 0.511 nan 8.370 nan 0.000 0.491 379 S N 2.983 118.808 115.700 0.208 0.000 3.781 379 S HA -0.143 4.327 4.470 -0.000 0.000 0.657 379 S C 1.128 175.797 174.600 0.115 0.000 0.579 379 S CA -0.214 58.077 58.200 0.153 0.000 1.435 379 S CB -1.220 62.058 63.200 0.129 0.000 0.862 379 S HN 0.577 nan 8.310 nan 0.000 0.955 380 L N 3.314 124.633 121.223 0.160 0.000 2.027 380 L HA -0.084 4.256 4.340 -0.000 0.000 0.206 380 L C 2.646 179.586 176.870 0.116 0.000 1.074 380 L CA 1.828 56.798 54.840 0.217 0.000 0.745 380 L CB -0.707 41.550 42.059 0.330 0.000 0.898 380 L HN 0.934 nan 8.230 nan 0.000 0.433 381 S N 0.159 115.888 115.700 0.048 0.000 2.461 381 S HA -0.223 4.247 4.470 -0.000 0.000 0.246 381 S C 1.861 176.368 174.600 -0.155 0.000 1.007 381 S CA 1.178 59.314 58.200 -0.105 0.000 0.976 381 S CB -0.224 62.948 63.200 -0.047 0.000 0.763 381 S HN 0.402 nan 8.310 nan 0.000 0.508 382 A N 0.972 123.739 122.820 -0.089 0.000 1.984 382 A HA 0.442 4.762 4.320 -0.000 0.000 0.214 382 A C 2.136 179.615 177.584 -0.174 0.000 1.173 382 A CA 0.465 52.454 52.037 -0.080 0.000 0.673 382 A CB -0.430 18.584 19.000 0.024 0.000 0.830 382 A HN 0.544 nan 8.150 nan 0.000 0.453 383 L N -0.696 120.370 121.223 -0.261 0.000 2.465 383 L HA -0.039 4.301 4.340 -0.000 0.000 0.224 383 L C 2.581 179.254 176.870 -0.327 0.000 1.145 383 L CA 0.683 55.296 54.840 -0.377 0.000 0.834 383 L CB -0.201 41.555 42.059 -0.506 0.000 0.944 383 L HN 0.432 nan 8.230 nan 0.000 0.451 384 A N -0.370 122.144 122.820 -0.511 0.000 2.218 384 A HA 0.025 4.345 4.320 -0.000 0.000 0.209 384 A C 1.038 178.373 177.584 -0.416 0.000 1.168 384 A CA -0.141 51.399 52.037 -0.828 0.000 0.804 384 A CB -0.193 17.942 19.000 -1.440 0.000 0.834 384 A HN 0.229 nan 8.150 nan 0.000 0.482 385 R N -0.181 120.157 120.500 -0.270 0.000 2.473 385 R HA 0.284 4.624 4.340 -0.000 0.000 0.315 385 R C 1.403 177.629 176.300 -0.124 0.000 0.972 385 R CA 0.783 56.786 56.100 -0.161 0.000 1.047 385 R CB -0.102 30.140 30.300 -0.096 0.000 0.932 385 R HN 0.605 nan 8.270 nan 0.000 0.411 386 G N 1.914 110.651 108.800 -0.105 0.000 3.757 386 G HA2 -0.325 3.635 3.960 -0.000 0.000 0.215 386 G HA3 -0.325 3.635 3.960 -0.000 0.000 0.215 386 G C 0.308 175.172 174.900 -0.060 0.000 1.411 386 G CA -0.103 44.956 45.100 -0.069 0.000 0.896 386 G HN 0.475 nan 8.290 nan 0.000 0.581 387 V N 2.971 122.846 119.914 -0.065 0.000 3.230 387 V HA 0.343 4.463 4.120 -0.000 0.000 0.302 387 V C 1.510 177.592 176.094 -0.021 0.000 1.158 387 V CA 0.771 63.053 62.300 -0.030 0.000 1.279 387 V CB 1.074 32.889 31.823 -0.014 0.000 0.983 387 V HN 1.529 nan 8.190 nan 0.000 0.506 388 S N 2.622 118.332 115.700 0.017 0.000 2.584 388 S HA 0.127 4.597 4.470 -0.000 0.000 0.273 388 S C 1.043 175.684 174.600 0.069 0.000 1.311 388 S CA -0.218 57.997 58.200 0.025 0.000 1.034 388 S CB 0.792 64.009 63.200 0.028 0.000 0.939 388 S HN 0.756 nan 8.310 nan 0.000 0.513 389 N N 2.227 120.964 118.700 0.063 0.000 2.094 389 N HA -0.184 4.556 4.740 -0.000 0.000 0.191 389 N C 0.966 176.563 175.510 0.147 0.000 1.023 389 N CA 1.537 54.660 53.050 0.122 0.000 0.857 389 N CB -0.526 38.012 38.487 0.085 0.000 1.013 389 N HN 0.669 nan 8.380 nan 0.000 0.426 390 N N 0.801 119.554 118.700 0.089 0.000 2.244 390 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 390 N C 1.612 177.164 175.510 0.069 0.000 1.016 390 N CA 0.968 54.057 53.050 0.066 0.000 0.866 390 N CB -0.455 38.055 38.487 0.038 0.000 0.980 390 N HN 0.293 nan 8.380 nan 0.000 0.430 391 A N 0.435 123.307 122.820 0.087 0.000 1.929 391 A HA -0.073 4.247 4.320 -0.000 0.000 0.216 391 A C 2.045 179.715 177.584 0.143 0.000 1.176 391 A CA 0.669 52.762 52.037 0.092 0.000 0.628 391 A CB -0.759 18.289 19.000 0.080 0.000 0.816 391 A HN 0.241 nan 8.150 nan 0.000 0.444 392 F N 0.553 120.517 119.950 0.022 0.000 2.084 392 F HA -0.096 4.431 4.527 -0.000 0.000 0.296 392 F C 2.319 178.164 175.800 0.075 0.000 1.111 392 F CA 1.801 59.826 58.000 0.041 0.000 1.224 392 F CB -0.435 38.556 39.000 -0.014 0.000 0.991 392 F HN 0.103 nan 8.300 nan 0.000 0.471 393 R N -0.035 120.411 120.500 -0.089 0.000 2.117 393 R HA -0.243 4.097 4.340 -0.000 0.000 0.243 393 R C 2.451 178.634 176.300 -0.195 0.000 1.143 393 R CA 1.919 57.898 56.100 -0.201 0.000 0.968 393 R CB -0.546 29.729 30.300 -0.042 0.000 0.863 393 R HN 0.473 nan 8.270 nan 0.000 0.444 394 Q N -0.672 119.079 119.800 -0.081 0.000 2.124 394 Q HA -0.201 4.139 4.340 -0.000 0.000 0.202 394 Q C 1.781 177.726 176.000 -0.092 0.000 0.977 394 Q CA 1.466 57.237 55.803 -0.053 0.000 0.850 394 Q CB -0.039 28.708 28.738 0.014 0.000 0.901 394 Q HN 0.307 nan 8.270 nan 0.000 0.429 395 F N -0.103 119.712 119.950 -0.224 0.000 2.163 395 F HA -0.153 4.374 4.527 -0.000 0.000 0.297 395 F C 1.870 177.472 175.800 -0.330 0.000 1.094 395 F CA 0.970 58.821 58.000 -0.248 0.000 1.290 395 F CB -0.326 38.538 39.000 -0.227 0.000 1.017 395 F HN -0.166 nan 8.300 nan 0.000 0.483 396 V N 1.137 120.692 119.914 -0.598 0.000 2.295 396 V HA -0.313 3.807 4.120 -0.000 0.000 0.246 396 V C 2.488 178.268 176.094 -0.522 0.000 1.049 396 V CA 1.696 63.590 62.300 -0.676 0.000 1.024 396 V CB -0.686 30.735 31.823 -0.670 0.000 0.648 396 V HN 0.337 nan 8.190 nan 0.000 0.447 397 I N 0.971 121.326 120.570 -0.358 0.000 2.361 397 I HA -0.142 4.028 4.170 -0.000 0.000 0.251 397 I C 2.546 178.535 176.117 -0.214 0.000 1.133 397 I CA 1.866 63.026 61.300 -0.235 0.000 1.413 397 I CB -2.001 35.915 38.000 -0.141 0.000 1.073 397 I HN 0.385 nan 8.210 nan 0.000 0.424 398 G N 0.929 109.561 108.800 -0.280 0.000 2.414 398 G HA2 -0.121 3.839 3.960 -0.000 0.000 0.215 398 G HA3 -0.121 3.839 3.960 -0.000 0.000 0.215 398 G C 1.803 176.555 174.900 -0.246 0.000 1.188 398 G CA 0.843 45.803 45.100 -0.234 0.000 0.783 398 G HN 0.269 nan 8.290 nan 0.000 0.537 399 V N 0.606 120.238 119.914 -0.471 0.000 2.453 399 V HA -0.125 3.995 4.120 -0.000 0.000 0.247 399 V C 3.064 179.106 176.094 -0.087 0.000 1.048 399 V CA 2.166 64.286 62.300 -0.299 0.000 1.049 399 V CB -0.684 30.853 31.823 -0.476 0.000 0.672 399 V HN 0.352 nan 8.190 nan 0.000 0.457 400 T N 0.417 114.832 114.554 -0.230 0.000 2.708 400 T HA -0.103 4.247 4.350 -0.000 0.000 0.266 400 T C 1.874 176.559 174.700 -0.026 0.000 1.037 400 T CA 1.729 63.736 62.100 -0.154 0.000 1.146 400 T CB -0.523 68.159 68.868 -0.309 0.000 0.865 400 T HN 0.614 nan 8.240 nan 0.000 0.435 401 G N -0.684 108.093 108.800 -0.038 0.000 2.422 401 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.218 401 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.218 401 G C 1.357 176.297 174.900 0.067 0.000 1.140 401 G CA 0.496 45.601 45.100 0.009 0.000 0.775 401 G HN 0.499 nan 8.290 nan 0.000 0.545 402 Y N 2.033 122.324 120.300 -0.015 0.000 2.089 402 Y HA 0.003 4.553 4.550 -0.000 0.000 0.282 402 Y C 2.948 178.877 175.900 0.048 0.000 1.139 402 Y CA 1.316 59.430 58.100 0.024 0.000 1.123 402 Y CB -0.677 37.797 38.460 0.022 0.000 0.980 402 Y HN 0.237 nan 8.280 nan 0.000 0.493 403 A N 0.471 123.338 122.820 0.079 0.000 1.884 403 A HA -0.300 4.020 4.320 -0.000 0.000 0.219 403 A C 2.313 179.891 177.584 -0.010 0.000 1.197 403 A CA 2.401 54.466 52.037 0.047 0.000 0.637 403 A CB -0.834 18.277 19.000 0.186 0.000 0.827 403 A HN 0.541 nan 8.150 nan 0.000 0.450 404 K N -0.570 119.837 120.400 0.012 0.000 2.032 404 K HA -0.237 4.083 4.320 -0.000 0.000 0.209 404 K C 2.405 178.983 176.600 -0.036 0.000 1.048 404 K CA 1.869 58.156 56.287 -0.000 0.000 0.927 404 K CB -0.225 32.276 32.500 0.002 0.000 0.712 404 K HN 0.875 nan 8.250 nan 0.000 0.441 405 Q N 0.040 119.801 119.800 -0.065 0.000 2.369 405 Q HA -0.109 4.231 4.340 -0.000 0.000 0.206 405 Q C 0.987 176.919 176.000 -0.114 0.000 0.963 405 Q CA 1.175 56.934 55.803 -0.073 0.000 0.894 405 Q CB 0.206 28.908 28.738 -0.060 0.000 0.965 405 Q HN 0.054 nan 8.270 nan 0.000 0.475 406 E N 0.998 121.090 120.200 -0.179 0.000 2.444 406 E HA -0.001 4.349 4.350 -0.000 0.000 0.191 406 E C -0.473 176.078 176.600 -0.082 0.000 1.041 406 E CA 0.027 56.313 56.400 -0.189 0.000 0.883 406 E CB 0.168 29.644 29.700 -0.373 0.000 1.024 406 E HN 0.258 nan 8.360 nan 0.000 0.470 407 E N -0.355 119.820 120.200 -0.041 0.000 2.883 407 E HA -0.255 4.095 4.350 -0.000 0.000 0.271 407 E C -0.371 176.245 176.600 0.026 0.000 1.049 407 E CA 0.704 57.104 56.400 0.001 0.000 0.817 407 E CB -1.900 27.801 29.700 0.001 0.000 1.407 407 E HN 0.426 nan 8.360 nan 0.000 0.434 408 I N 1.861 122.448 120.570 0.028 0.000 2.304 408 I HA 0.072 4.242 4.170 -0.000 0.000 0.291 408 I C 0.870 177.057 176.117 0.116 0.000 1.018 408 I CA -0.270 61.072 61.300 0.071 0.000 1.260 408 I CB 1.099 39.146 38.000 0.078 0.000 1.390 408 I HN -0.211 nan 8.210 nan 0.000 0.475 409 T N 4.867 119.513 114.554 0.153 0.000 2.901 409 T HA 0.348 4.698 4.350 -0.000 0.000 0.301 409 T C 0.428 175.287 174.700 0.264 0.000 1.012 409 T CA -0.455 61.781 62.100 0.228 0.000 1.135 409 T CB 0.983 70.039 68.868 0.314 0.000 0.936 409 T HN 0.831 nan 8.240 nan 0.000 0.539 410 G N 1.947 110.845 108.800 0.164 0.000 2.609 410 G HA2 0.565 4.525 3.960 -0.000 0.000 0.308 410 G HA3 0.565 4.525 3.960 -0.000 0.000 0.308 410 G C -1.431 173.270 174.900 -0.331 0.000 1.369 410 G CA -0.646 44.414 45.100 -0.066 0.000 0.958 410 G HN 0.677 nan 8.290 nan 0.000 0.499 411 L N 2.608 123.456 121.223 -0.626 0.000 2.294 411 L HA 0.791 5.131 4.340 -0.000 0.000 0.283 411 L C -1.480 175.018 176.870 -0.620 0.000 1.015 411 L CA -0.933 53.475 54.840 -0.720 0.000 0.831 411 L CB 0.366 41.694 42.059 -1.217 0.000 1.217 411 L HN 0.336 nan 8.230 nan 0.000 0.420 412 F N 2.405 122.269 119.950 -0.144 0.000 2.480 412 F HA 0.640 5.167 4.527 -0.000 0.000 0.329 412 F C 0.750 176.521 175.800 -0.048 0.000 1.091 412 F CA -0.583 57.386 58.000 -0.051 0.000 0.972 412 F CB 2.105 41.082 39.000 -0.038 0.000 1.150 412 F HN 0.311 nan 8.300 nan 0.000 0.467 413 T N 1.604 116.271 114.554 0.188 0.000 2.925 413 T HA 0.425 4.775 4.350 -0.000 0.000 0.285 413 T C -1.144 173.626 174.700 0.117 0.000 1.021 413 T CA -0.685 61.483 62.100 0.113 0.000 1.042 413 T CB 1.135 70.066 68.868 0.104 0.000 1.037 413 T HN 0.568 nan 8.240 nan 0.000 0.481 414 N N 0.566 119.308 118.700 0.069 0.000 2.478 414 N HA 0.311 5.051 4.740 -0.000 0.000 0.291 414 N C -1.423 174.104 175.510 0.028 0.000 1.090 414 N CA -0.376 52.703 53.050 0.049 0.000 0.911 414 N CB 1.585 40.091 38.487 0.030 0.000 1.546 414 N HN 0.363 nan 8.380 nan 0.000 0.500 415 T N 1.637 116.207 114.554 0.026 0.000 2.767 415 T HA 0.349 4.699 4.350 -0.000 0.000 0.288 415 T C -0.021 174.686 174.700 0.011 0.000 0.963 415 T CA -0.434 61.683 62.100 0.028 0.000 1.019 415 T CB 0.351 69.244 68.868 0.042 0.000 0.923 415 T HN 0.565 nan 8.240 nan 0.000 0.468 416 S N 2.797 118.506 115.700 0.016 0.000 2.545 416 S HA 0.165 4.635 4.470 -0.000 0.000 0.275 416 S C 0.803 175.424 174.600 0.035 0.000 1.299 416 S CA -0.687 57.517 58.200 0.007 0.000 1.048 416 S CB 0.850 64.048 63.200 -0.004 0.000 0.938 416 S HN 0.545 nan 8.310 nan 0.000 0.496 417 D N 1.649 122.057 120.400 0.014 0.000 2.351 417 D HA -0.049 4.591 4.640 -0.000 0.000 0.216 417 D C 0.731 177.072 176.300 0.068 0.000 0.968 417 D CA 1.088 55.107 54.000 0.031 0.000 0.899 417 D CB 0.064 40.865 40.800 0.001 0.000 0.907 417 D HN 0.903 nan 8.370 nan 0.000 0.514 418 Q N 0.180 120.016 119.800 0.060 0.000 2.274 418 Q HA 0.292 4.632 4.340 -0.000 0.000 0.268 418 Q C -0.743 175.299 176.000 0.070 0.000 1.015 418 Q CA -1.037 54.798 55.803 0.054 0.000 0.775 418 Q CB 0.918 29.617 28.738 -0.065 0.000 1.256 418 Q HN 0.013 nan 8.270 nan 0.000 0.442 419 F N 1.855 121.830 119.950 0.043 0.000 2.443 419 F HA 0.562 5.089 4.527 -0.000 0.000 0.353 419 F C 0.051 175.887 175.800 0.059 0.000 1.101 419 F CA -0.992 57.068 58.000 0.101 0.000 1.226 419 F CB 0.592 39.685 39.000 0.155 0.000 1.140 419 F HN 0.649 nan 8.300 nan 0.000 0.557 420 M N 3.379 122.988 119.600 0.014 0.000 4.047 420 M HA -0.108 4.371 4.480 -0.000 0.000 0.157 420 M C 0.739 176.878 176.300 -0.269 0.000 1.532 420 M CA 1.044 56.259 55.300 -0.141 0.000 1.097 420 M CB -1.583 30.907 32.600 -0.184 0.000 1.346 420 M HN 1.635 nan 8.290 nan 0.000 0.191 421 G N 0.739 109.403 108.800 -0.227 0.000 2.176 421 G HA2 -0.024 3.936 3.960 -0.000 0.000 0.253 421 G HA3 -0.024 3.936 3.960 -0.000 0.000 0.253 421 G C 0.231 174.900 174.900 -0.385 0.000 0.979 421 G CA 0.287 45.197 45.100 -0.317 0.000 0.641 421 G HN 1.963 nan 8.290 nan 0.000 0.530 422 A N 0.271 122.943 122.820 -0.247 0.000 2.545 422 A HA 0.468 4.788 4.320 -0.000 0.000 0.253 422 A C 1.047 178.518 177.584 -0.189 0.000 1.074 422 A CA 0.805 52.742 52.037 -0.166 0.000 0.760 422 A CB -0.020 18.923 19.000 -0.096 0.000 1.005 422 A HN 0.462 nan 8.150 nan 0.000 0.506 423 H N 1.194 120.242 119.070 -0.036 0.000 2.553 423 H HA 0.132 4.688 4.556 -0.000 0.000 0.265 423 H C 0.356 175.672 175.328 -0.020 0.000 0.964 423 H CA 1.066 57.099 56.048 -0.024 0.000 1.156 423 H CB 0.357 30.111 29.762 -0.013 0.000 1.411 423 H HN 0.750 nan 8.280 nan 0.000 0.558 424 S N -0.941 114.809 115.700 0.083 0.000 2.548 424 S HA 0.270 4.740 4.470 -0.000 0.000 0.286 424 S C 0.974 175.548 174.600 -0.042 0.000 1.098 424 S CA -0.732 57.495 58.200 0.045 0.000 0.930 424 S CB 1.846 65.117 63.200 0.118 0.000 1.070 424 S HN -0.147 nan 8.310 nan 0.000 0.480 425 I N 1.969 122.475 120.570 -0.107 0.000 2.127 425 I HA -0.081 4.089 4.170 -0.000 0.000 0.241 425 I C 1.231 177.293 176.117 -0.090 0.000 1.075 425 I CA 1.786 62.977 61.300 -0.181 0.000 1.334 425 I CB -0.344 37.513 38.000 -0.239 0.000 1.040 425 I HN 0.764 nan 8.210 nan 0.000 0.405 426 T N -0.306 114.226 114.554 -0.036 0.000 2.887 426 T HA 0.207 4.557 4.350 -0.000 0.000 0.288 426 T C 0.302 174.939 174.700 -0.105 0.000 1.021 426 T CA -0.615 61.455 62.100 -0.050 0.000 1.000 426 T CB 1.870 70.721 68.868 -0.029 0.000 1.034 426 T HN 0.029 nan 8.240 nan 0.000 0.467 427 D N 0.937 121.236 120.400 -0.169 0.000 2.289 427 D HA -0.027 4.613 4.640 -0.000 0.000 0.207 427 D C 1.811 177.766 176.300 -0.576 0.000 0.966 427 D CA 0.783 54.622 54.000 -0.269 0.000 0.868 427 D CB 0.232 40.934 40.800 -0.162 0.000 0.943 427 D HN 0.545 nan 8.370 nan 0.000 0.514 428 S N -0.276 115.178 115.700 -0.411 0.000 2.535 428 S HA -0.036 4.434 4.470 -0.000 0.000 0.214 428 S C 0.259 174.719 174.600 -0.233 0.000 0.980 428 S CA -0.281 57.744 58.200 -0.291 0.000 0.907 428 S CB -0.129 63.105 63.200 0.056 0.000 0.790 428 S HN 0.171 nan 8.310 nan 0.000 0.510 429 H N 1.437 120.536 119.070 0.047 0.000 2.750 429 H HA -0.088 4.468 4.556 -0.000 0.000 0.327 429 H C -0.128 175.206 175.328 0.012 0.000 1.199 429 H CA 0.576 56.637 56.048 0.022 0.000 1.149 429 H CB -2.483 27.290 29.762 0.018 0.000 1.543 429 H HN 0.371 nan 8.280 nan 0.000 0.427 434 T N 0.127 114.637 114.554 -0.073 0.000 2.859 434 T HA 0.301 4.651 4.350 -0.000 0.000 0.281 434 T C 0.567 175.249 174.700 -0.031 0.000 1.005 434 T CA -0.306 61.755 62.100 -0.064 0.000 1.025 434 T CB 1.316 70.142 68.868 -0.070 0.000 0.977 434 T HN 0.017 nan 8.240 nan 0.000 0.458 435 D N 2.178 122.563 120.400 -0.024 0.000 2.149 435 D HA 0.078 4.718 4.640 -0.000 0.000 0.206 435 D C 0.383 176.678 176.300 -0.009 0.000 0.967 435 D CA 1.069 55.067 54.000 -0.003 0.000 0.848 435 D CB 0.343 41.156 40.800 0.021 0.000 0.998 435 D HN 0.445 nan 8.370 nan 0.000 0.474 436 T N 0.663 115.186 114.554 -0.051 0.000 2.861 436 T HA 0.587 4.937 4.350 -0.000 0.000 0.287 436 T C -0.175 174.461 174.700 -0.106 0.000 1.003 436 T CA -0.470 61.573 62.100 -0.096 0.000 0.977 436 T CB 2.143 70.916 68.868 -0.158 0.000 0.996 436 T HN -0.151 nan 8.240 nan 0.000 0.448 437 I N 3.910 124.437 120.570 -0.071 0.000 2.410 437 I HA 0.400 4.570 4.170 -0.000 0.000 0.286 437 I C -0.787 175.324 176.117 -0.011 0.000 1.009 437 I CA -0.839 60.446 61.300 -0.024 0.000 1.111 437 I CB 1.449 39.491 38.000 0.071 0.000 1.262 437 I HN 0.351 nan 8.210 nan 0.000 0.443 438 I N 7.018 127.563 120.570 -0.042 0.000 2.321 438 I HA 0.311 4.481 4.170 -0.000 0.000 0.291 438 I C -0.477 175.624 176.117 -0.026 0.000 0.998 438 I CA -0.703 60.583 61.300 -0.023 0.000 1.227 438 I CB 1.508 39.488 38.000 -0.034 0.000 1.368 438 I HN 0.313 nan 8.210 nan 0.000 0.466 439 L N 8.621 129.844 121.223 0.000 0.000 2.305 439 L HA 0.554 4.894 4.340 -0.000 0.000 0.284 439 L C -1.111 175.752 176.870 -0.012 0.000 1.013 439 L CA -0.211 54.615 54.840 -0.022 0.000 0.819 439 L CB 1.080 43.128 42.059 -0.018 0.000 1.227 439 L HN 0.360 nan 8.230 nan 0.000 0.417 440 L N 5.798 127.005 121.223 -0.027 0.000 2.317 440 L HA 0.684 5.024 4.340 -0.000 0.000 0.281 440 L C -0.556 176.290 176.870 -0.039 0.000 1.024 440 L CA -0.585 54.258 54.840 0.005 0.000 0.810 440 L CB 1.800 43.862 42.059 0.005 0.000 1.240 440 L HN 0.792 nan 8.230 nan 0.000 0.427 441 Q N 1.609 121.390 119.800 -0.031 0.000 2.435 441 Q HA 0.452 4.792 4.340 -0.000 0.000 0.282 441 Q C -1.795 174.126 176.000 -0.132 0.000 1.020 441 Q CA -0.943 54.799 55.803 -0.101 0.000 0.820 441 Q CB 1.555 30.279 28.738 -0.024 0.000 1.436 441 Q HN 0.375 nan 8.270 nan 0.000 0.395 442 Y N 0.498 120.830 120.300 0.052 0.000 2.309 442 Y HA 0.517 5.067 4.550 -0.000 0.000 0.327 442 Y C -0.219 175.658 175.900 -0.038 0.000 1.172 442 Y CA -0.589 57.526 58.100 0.024 0.000 1.280 442 Y CB 1.585 40.090 38.460 0.074 0.000 1.234 442 Y HN 0.380 nan 8.280 nan 0.000 0.512 443 V N 3.257 123.225 119.914 0.090 0.000 2.483 443 V HA 0.152 4.272 4.120 -0.000 0.000 0.297 443 V C -0.363 175.682 176.094 -0.082 0.000 1.027 443 V CA -1.244 60.981 62.300 -0.124 0.000 0.855 443 V CB 1.606 33.171 31.823 -0.430 0.000 0.995 443 V HN 0.729 nan 8.190 nan 0.000 0.424 444 E N 5.633 125.782 120.200 -0.086 0.000 2.003 444 E HA 0.263 4.613 4.350 -0.000 0.000 0.279 444 E C -1.114 175.434 176.600 -0.086 0.000 1.132 444 E CA -0.359 56.010 56.400 -0.051 0.000 0.888 444 E CB 0.491 30.176 29.700 -0.024 0.000 1.056 444 E HN 0.478 nan 8.360 nan 0.000 0.399 445 I N 5.304 125.839 120.570 -0.058 0.000 2.390 445 I HA 0.225 4.395 4.170 -0.000 0.000 0.283 445 I C 0.156 176.298 176.117 0.042 0.000 1.016 445 I CA -0.550 60.730 61.300 -0.033 0.000 1.151 445 I CB 0.992 38.974 38.000 -0.031 0.000 1.293 445 I HN 0.743 nan 8.210 nan 0.000 0.458 446 R N 4.001 124.543 120.500 0.070 0.000 3.152 446 R HA -0.197 4.143 4.340 -0.000 0.000 0.252 446 R C 1.049 177.374 176.300 0.042 0.000 0.930 446 R CA 0.618 56.759 56.100 0.070 0.000 0.642 446 R CB -1.609 28.742 30.300 0.086 0.000 1.205 446 R HN 1.124 nan 8.270 nan 0.000 0.452 447 G N -0.416 108.401 108.800 0.029 0.000 2.180 447 G HA2 -0.362 3.598 3.960 -0.000 0.000 0.263 447 G HA3 -0.362 3.598 3.960 -0.000 0.000 0.263 447 G C -0.043 174.861 174.900 0.006 0.000 0.989 447 G CA 1.057 46.166 45.100 0.015 0.000 0.692 447 G HN 0.568 nan 8.290 nan 0.000 0.526 448 E N -0.683 119.522 120.200 0.008 0.000 2.317 448 E HA 0.497 4.847 4.350 -0.000 0.000 0.270 448 E C 0.101 176.700 176.600 -0.002 0.000 0.885 448 E CA -1.034 55.367 56.400 0.001 0.000 0.760 448 E CB 0.974 30.683 29.700 0.014 0.000 1.227 448 E HN 0.109 nan 8.360 nan 0.000 0.434 449 M N 2.789 122.381 119.600 -0.014 0.000 2.435 449 M HA 0.185 4.665 4.480 -0.000 0.000 0.344 449 M C -0.052 176.289 176.300 0.068 0.000 1.329 449 M CA -0.163 55.136 55.300 -0.002 0.000 1.320 449 M CB -0.290 32.241 32.600 -0.115 0.000 1.309 449 M HN 0.450 nan 8.290 nan 0.000 0.451 450 S N 3.407 119.158 115.700 0.084 0.000 2.730 450 S HA 0.828 5.298 4.470 -0.000 0.000 0.284 450 S C -0.128 174.528 174.600 0.094 0.000 1.153 450 S CA -0.910 57.337 58.200 0.079 0.000 0.995 450 S CB 1.862 65.129 63.200 0.111 0.000 1.058 450 S HN 0.650 nan 8.310 nan 0.000 0.552 451 R N -0.375 120.089 120.500 -0.061 0.000 2.873 451 R HA 0.889 5.229 4.340 -0.000 0.000 0.264 451 R C -0.757 175.583 176.300 0.066 0.000 1.026 451 R CA -0.341 55.663 56.100 -0.160 0.000 1.002 451 R CB 1.811 31.668 30.300 -0.739 0.000 1.174 451 R HN 0.964 nan 8.270 nan 0.000 0.488 452 A N 1.343 124.329 122.820 0.276 0.000 2.515 452 A HA 0.709 5.029 4.320 -0.000 0.000 0.298 452 A C -1.402 176.442 177.584 0.432 0.000 1.059 452 A CA -0.661 51.643 52.037 0.445 0.000 0.698 452 A CB 1.218 20.430 19.000 0.354 0.000 1.289 452 A HN 0.705 nan 8.150 nan 0.000 0.404 453 I N 1.158 121.906 120.570 0.296 0.000 2.646 453 I HA 0.726 4.896 4.170 -0.000 0.000 0.299 453 I C -1.090 175.061 176.117 0.057 0.000 1.036 453 I CA -0.767 60.546 61.300 0.021 0.000 1.074 453 I CB 2.159 39.931 38.000 -0.380 0.000 1.258 453 I HN 0.816 nan 8.210 nan 0.000 0.430 454 N N 4.604 123.329 118.700 0.041 0.000 2.406 454 N HA 0.298 5.038 4.740 -0.000 0.000 0.283 454 N C -1.934 173.623 175.510 0.078 0.000 1.074 454 N CA -0.505 52.596 53.050 0.086 0.000 0.916 454 N CB 2.141 40.718 38.487 0.151 0.000 1.639 454 N HN 0.265 nan 8.380 nan 0.000 0.485 455 V N 5.299 125.249 119.914 0.059 0.000 2.338 455 V HA 0.183 4.303 4.120 -0.000 0.000 0.255 455 V C 0.871 176.943 176.094 -0.036 0.000 1.082 455 V CA -0.216 62.080 62.300 -0.007 0.000 0.951 455 V CB -0.540 31.269 31.823 -0.023 0.000 1.102 455 V HN 0.741 nan 8.190 nan 0.000 0.489 456 F N 5.149 125.018 119.950 -0.134 0.000 2.146 456 F HA 0.031 4.558 4.527 -0.000 0.000 0.298 456 F C 1.243 176.933 175.800 -0.183 0.000 1.096 456 F CA 1.322 59.267 58.000 -0.092 0.000 1.275 456 F CB 0.339 39.301 39.000 -0.063 0.000 1.008 456 F HN 0.500 nan 8.300 nan 0.000 0.480 457 K N -0.745 119.486 120.400 -0.283 0.000 2.556 457 K HA 0.525 4.845 4.320 -0.000 0.000 0.274 457 K C -1.491 174.862 176.600 -0.412 0.000 0.966 457 K CA -0.858 55.184 56.287 -0.409 0.000 0.865 457 K CB 1.969 34.400 32.500 -0.115 0.000 1.444 457 K HN 0.050 nan 8.250 nan 0.000 0.433 458 M N 2.359 121.770 119.600 -0.315 0.000 2.284 458 M HA 0.295 4.775 4.480 -0.000 0.000 0.281 458 M C -0.019 176.321 176.300 0.068 0.000 1.083 458 M CA -0.621 54.625 55.300 -0.090 0.000 0.965 458 M CB 2.277 34.834 32.600 -0.072 0.000 1.717 458 M HN 0.836 nan 8.290 nan 0.000 0.479 459 R N 1.219 121.785 120.500 0.109 0.000 2.066 459 R HA 0.002 4.342 4.340 -0.000 0.000 0.232 459 R C 1.570 177.960 176.300 0.150 0.000 1.131 459 R CA 2.002 58.164 56.100 0.104 0.000 0.955 459 R CB 0.044 30.374 30.300 0.049 0.000 0.851 459 R HN 0.838 nan 8.270 nan 0.000 0.432 460 G N -1.007 107.964 108.800 0.285 0.000 3.159 460 G HA2 0.043 4.003 3.960 -0.000 0.000 0.232 460 G HA3 0.043 4.003 3.960 -0.000 0.000 0.232 460 G C 0.080 175.256 174.900 0.460 0.000 1.116 460 G CA -0.141 45.123 45.100 0.274 0.000 0.767 460 G HN 0.234 nan 8.290 nan 0.000 0.547 461 S N -1.308 114.661 115.700 0.447 0.000 2.776 461 S HA 0.482 4.952 4.470 -0.000 0.000 0.306 461 S C 0.393 175.193 174.600 0.333 0.000 1.114 461 S CA -0.513 57.899 58.200 0.353 0.000 0.973 461 S CB 1.044 64.374 63.200 0.217 0.000 1.250 461 S HN 0.331 nan 8.310 nan 0.000 0.549 462 W N 1.472 122.849 121.300 0.127 0.000 2.735 462 W HA 0.234 4.894 4.660 -0.000 0.000 0.264 462 W C 0.363 176.877 176.519 -0.008 0.000 1.233 462 W CA 1.337 58.715 57.345 0.056 0.000 1.408 462 W CB -0.662 28.801 29.460 0.004 0.000 1.038 462 W HN 1.115 nan 8.180 nan 0.000 0.603 463 H N 0.791 119.433 119.070 -0.713 0.000 2.991 463 H HA -0.282 4.274 4.556 -0.000 0.000 0.255 463 H C -0.483 173.713 175.328 -1.887 0.000 0.700 463 H CA 0.503 55.865 56.048 -1.142 0.000 0.964 463 H CB -1.009 28.463 29.762 -0.484 0.000 1.230 463 H HN 0.243 nan 8.280 nan 0.000 0.450 464 D N 2.026 121.726 120.400 -1.168 0.000 2.382 464 D HA 0.088 4.728 4.640 -0.000 0.000 0.245 464 D C 0.457 176.534 176.300 -0.372 0.000 1.120 464 D CA -0.485 53.141 54.000 -0.622 0.000 0.890 464 D CB 0.829 41.560 40.800 -0.114 0.000 1.201 464 D HN 0.547 nan 8.370 nan 0.000 0.433 465 K N 1.907 122.158 120.400 -0.248 0.000 2.397 465 K HA 0.328 4.648 4.320 -0.000 0.000 0.202 465 K C 0.099 176.691 176.600 -0.013 0.000 1.022 465 K CA -0.380 55.825 56.287 -0.138 0.000 1.141 465 K CB 0.119 32.537 32.500 -0.137 0.000 0.857 465 K HN 0.372 nan 8.250 nan 0.000 0.514 466 A N 1.151 123.981 122.820 0.016 0.000 2.302 466 A HA 0.542 4.862 4.320 -0.000 0.000 0.285 466 A C 0.010 177.652 177.584 0.096 0.000 1.105 466 A CA -0.511 51.566 52.037 0.066 0.000 0.816 466 A CB 0.156 19.197 19.000 0.068 0.000 1.067 466 A HN 0.258 nan 8.150 nan 0.000 0.489 467 I N 2.483 123.140 120.570 0.146 0.000 2.395 467 I HA 0.188 4.358 4.170 -0.000 0.000 0.282 467 I C 0.390 176.653 176.117 0.243 0.000 1.107 467 I CA -0.022 61.395 61.300 0.195 0.000 1.210 467 I CB 0.089 38.222 38.000 0.222 0.000 1.456 467 I HN 0.596 nan 8.210 nan 0.000 0.504 468 R N 3.781 124.375 120.500 0.156 0.000 2.594 468 R HA 0.228 4.568 4.340 -0.000 0.000 0.272 468 R C 0.288 176.690 176.300 0.170 0.000 1.074 468 R CA -0.432 55.726 56.100 0.096 0.000 1.105 468 R CB 0.846 31.181 30.300 0.058 0.000 1.008 468 R HN 0.550 nan 8.270 nan 0.000 0.472 469 E N 2.827 123.015 120.200 -0.021 0.000 2.283 469 E HA 0.360 4.710 4.350 -0.000 0.000 0.271 469 E C -1.079 175.630 176.600 0.182 0.000 1.031 469 E CA -0.716 55.718 56.400 0.056 0.000 0.868 469 E CB 0.830 30.321 29.700 -0.349 0.000 1.094 469 E HN 0.476 nan 8.360 nan 0.000 0.401 470 F N 0.594 120.550 119.950 0.010 0.000 2.654 470 F HA 0.521 5.048 4.527 -0.000 0.000 0.308 470 F C -1.333 174.475 175.800 0.014 0.000 1.108 470 F CA -1.369 56.627 58.000 -0.005 0.000 0.957 470 F CB 1.146 40.139 39.000 -0.012 0.000 1.309 470 F HN 0.525 nan 8.300 nan 0.000 0.446 471 M N 2.704 122.270 119.600 -0.057 0.000 2.644 471 M HA 0.774 5.254 4.480 -0.000 0.000 0.316 471 M C -1.746 174.553 176.300 -0.002 0.000 1.200 471 M CA -0.647 54.586 55.300 -0.112 0.000 0.944 471 M CB 2.299 34.884 32.600 -0.026 0.000 1.691 471 M HN 0.600 nan 8.290 nan 0.000 0.471 472 I N 1.863 122.429 120.570 -0.007 0.000 2.433 472 I HA 0.619 4.789 4.170 -0.000 0.000 0.292 472 I C -0.293 175.889 176.117 0.108 0.000 1.001 472 I CA -0.278 61.069 61.300 0.078 0.000 1.119 472 I CB 2.098 40.168 38.000 0.117 0.000 1.289 472 I HN 1.092 nan 8.210 nan 0.000 0.438 473 S N 2.719 118.495 115.700 0.127 0.000 2.900 473 S HA 0.426 4.896 4.470 -0.000 0.000 0.320 473 S C 0.245 174.961 174.600 0.194 0.000 1.130 473 S CA -0.731 57.544 58.200 0.125 0.000 0.863 473 S CB 1.502 64.746 63.200 0.073 0.000 1.295 473 S HN 0.562 nan 8.310 nan 0.000 0.596 474 D N 0.638 121.115 120.400 0.128 0.000 2.194 474 D HA 0.016 4.656 4.640 -0.000 0.000 0.204 474 D C 1.308 177.675 176.300 0.112 0.000 0.964 474 D CA 0.766 54.840 54.000 0.123 0.000 0.846 474 D CB -0.136 40.688 40.800 0.041 0.000 0.962 474 D HN 0.504 nan 8.370 nan 0.000 0.490 475 K N 0.706 121.149 120.400 0.071 0.000 2.362 475 K HA 0.121 4.441 4.320 -0.000 0.000 0.200 475 K C 1.324 177.945 176.600 0.036 0.000 1.046 475 K CA 0.594 56.904 56.287 0.038 0.000 0.952 475 K CB 0.368 32.881 32.500 0.022 0.000 0.753 475 K HN 0.189 nan 8.250 nan 0.000 0.466 476 G N 1.341 110.178 108.800 0.061 0.000 2.408 476 G HA2 -0.162 3.798 3.960 -0.000 0.000 0.204 476 G HA3 -0.162 3.798 3.960 -0.000 0.000 0.204 476 G C -2.975 171.898 174.900 -0.046 0.000 1.186 476 G CA -0.738 44.331 45.100 -0.051 0.000 1.139 476 G HN -0.008 nan 8.290 nan 0.000 0.563 477 P HA 0.447 nan 4.420 nan 0.000 0.293 477 P C -1.567 175.766 177.300 0.056 0.000 1.300 477 P CA 0.226 63.346 63.100 0.034 0.000 0.792 477 P CB 1.738 33.405 31.700 -0.054 0.000 0.925 478 D N 3.603 124.079 120.400 0.126 0.000 2.440 478 D HA 0.334 4.974 4.640 -0.000 0.000 0.239 478 D C -0.424 175.957 176.300 0.136 0.000 1.084 478 D CA -0.543 53.509 54.000 0.087 0.000 0.843 478 D CB 0.368 41.203 40.800 0.060 0.000 1.097 478 D HN 0.209 nan 8.370 nan 0.000 0.531 479 I N 4.553 125.170 120.570 0.078 0.000 2.291 479 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 479 I C 1.114 177.261 176.117 0.049 0.000 1.064 479 I CA -0.463 60.886 61.300 0.083 0.000 1.269 479 I CB 0.852 38.855 38.000 0.005 0.000 1.418 479 I HN 0.247 nan 8.210 nan 0.000 0.485 480 K N 4.217 124.647 120.400 0.050 0.000 2.958 480 K HA 0.307 4.627 4.320 -0.000 0.000 0.304 480 K C -0.201 176.381 176.600 -0.029 0.000 0.995 480 K CA -0.593 55.692 56.287 -0.002 0.000 1.492 480 K CB 0.359 32.842 32.500 -0.029 0.000 1.842 480 K HN 0.452 nan 8.250 nan 0.000 0.725 481 D N 0.369 120.719 120.400 -0.085 0.000 2.384 481 D HA 0.137 4.776 4.640 -0.000 0.000 0.250 481 D C -0.392 175.797 176.300 -0.185 0.000 1.029 481 D CA -0.242 53.701 54.000 -0.094 0.000 0.990 481 D CB 1.581 42.337 40.800 -0.073 0.000 1.175 481 D HN 0.444 nan 8.370 nan 0.000 0.532 482 S N -0.557 115.089 115.700 -0.090 0.000 2.614 482 S HA 0.260 4.730 4.470 -0.000 0.000 0.265 482 S C -0.028 174.524 174.600 -0.080 0.000 1.303 482 S CA -0.542 57.632 58.200 -0.042 0.000 1.000 482 S CB 0.193 63.443 63.200 0.084 0.000 0.935 482 S HN 0.288 nan 8.310 nan 0.000 0.551 483 F N 1.066 121.088 119.950 0.120 0.000 2.606 483 F HA 0.436 4.962 4.527 -0.000 0.000 0.347 483 F C 1.784 177.754 175.800 0.284 0.000 1.207 483 F CA -0.779 57.353 58.000 0.221 0.000 1.306 483 F CB -0.313 38.748 39.000 0.103 0.000 1.657 483 F HN 0.689 nan 8.300 nan 0.000 0.606 484 R N 1.835 122.517 120.500 0.304 0.000 2.103 484 R HA -0.190 4.150 4.340 -0.000 0.000 0.242 484 R C 1.312 177.718 176.300 0.177 0.000 1.142 484 R CA 1.810 58.032 56.100 0.204 0.000 0.960 484 R CB -0.085 30.285 30.300 0.116 0.000 0.858 484 R HN 0.476 nan 8.270 nan 0.000 0.439 485 N N -0.112 118.675 118.700 0.145 0.000 2.410 485 N HA -0.007 4.733 4.740 -0.000 0.000 0.231 485 N C -1.068 174.269 175.510 -0.289 0.000 1.172 485 N CA 0.290 53.300 53.050 -0.067 0.000 0.849 485 N CB -0.188 38.206 38.487 -0.154 0.000 1.116 485 N HN 0.030 nan 8.380 nan 0.000 0.485 486 F N 0.011 120.024 119.950 0.105 0.000 2.576 486 F HA 0.442 4.969 4.527 -0.000 0.000 0.313 486 F C 0.321 176.151 175.800 0.049 0.000 1.078 486 F CA -0.910 57.135 58.000 0.076 0.000 0.921 486 F CB 2.155 41.201 39.000 0.077 0.000 1.232 486 F HN -0.131 nan 8.300 nan 0.000 0.459 487 E N 0.837 121.177 120.200 0.234 0.000 2.299 487 E HA 0.611 4.961 4.350 -0.000 0.000 0.265 487 E C -0.686 175.986 176.600 0.119 0.000 0.911 487 E CA -1.033 55.448 56.400 0.136 0.000 0.789 487 E CB 1.854 31.604 29.700 0.083 0.000 1.246 487 E HN 0.523 nan 8.360 nan 0.000 0.427 488 R N 1.039 121.583 120.500 0.073 0.000 3.656 488 R HA -0.183 4.157 4.340 -0.000 0.000 0.297 488 R C 0.882 177.180 176.300 -0.004 0.000 1.166 488 R CA -0.083 56.040 56.100 0.039 0.000 0.799 488 R CB -1.522 28.802 30.300 0.039 0.000 1.285 488 R HN 0.578 nan 8.270 nan 0.000 0.477 489 I N 0.589 121.150 120.570 -0.014 0.000 2.127 489 I HA -0.285 3.885 4.170 -0.000 0.000 0.241 489 I C 2.526 178.583 176.117 -0.100 0.000 1.075 489 I CA 1.634 62.868 61.300 -0.111 0.000 1.334 489 I CB -0.690 37.257 38.000 -0.089 0.000 1.040 489 I HN 0.287 nan 8.210 nan 0.000 0.405 490 I N 0.999 121.546 120.570 -0.038 0.000 2.361 490 I HA -0.230 3.940 4.170 -0.000 0.000 0.251 490 I C 2.750 178.821 176.117 -0.077 0.000 1.133 490 I CA 1.551 62.827 61.300 -0.039 0.000 1.413 490 I CB -1.556 36.447 38.000 0.006 0.000 1.073 490 I HN 0.302 nan 8.210 nan 0.000 0.424 491 S N 1.083 116.743 115.700 -0.067 0.000 2.440 491 S HA -0.130 4.340 4.470 -0.000 0.000 0.240 491 S C 1.901 176.440 174.600 -0.101 0.000 1.014 491 S CA 1.597 59.746 58.200 -0.085 0.000 0.980 491 S CB -0.484 62.688 63.200 -0.046 0.000 0.775 491 S HN 0.677 nan 8.310 nan 0.000 0.499 492 G N 0.147 108.891 108.800 -0.093 0.000 2.258 492 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.233 492 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.233 492 G C 0.213 175.067 174.900 -0.078 0.000 1.006 492 G CA 0.273 45.327 45.100 -0.077 0.000 0.620 492 G HN 1.785 nan 8.290 nan 0.000 0.511 493 S N 0.802 116.458 115.700 -0.073 0.000 2.652 493 S HA 0.696 5.165 4.470 -0.000 0.000 0.252 493 S C -2.596 171.982 174.600 -0.036 0.000 1.219 493 S CA -1.063 57.104 58.200 -0.055 0.000 1.151 493 S CB 3.155 66.340 63.200 -0.026 0.000 1.080 493 S HN 0.229 nan 8.310 nan 0.000 0.481 494 P HA 0.544 nan 4.420 nan 0.000 0.282 494 P C -0.479 176.913 177.300 0.154 0.000 1.287 494 P CA -0.436 62.690 63.100 0.044 0.000 0.792 494 P CB 0.627 32.326 31.700 -0.001 0.000 1.163 495 T N 1.496 116.180 114.554 0.218 0.000 2.807 495 T HA 0.397 4.747 4.350 -0.000 0.000 0.279 495 T C -0.540 174.266 174.700 0.176 0.000 0.993 495 T CA -0.760 61.439 62.100 0.165 0.000 0.970 495 T CB 0.503 69.421 68.868 0.082 0.000 0.950 495 T HN 0.227 nan 8.240 nan 0.000 0.441 496 R N 3.046 123.562 120.500 0.027 0.000 2.265 496 R HA 0.655 4.995 4.340 -0.000 0.000 0.319 496 R C -0.552 175.613 176.300 -0.225 0.000 1.006 496 R CA -0.867 55.000 56.100 -0.390 0.000 0.880 496 R CB 0.139 30.179 30.300 -0.434 0.000 1.077 496 R HN 0.672 nan 8.270 nan 0.000 0.454 497 I N -1.474 118.942 120.570 -0.256 0.000 2.582 497 I HA 0.527 4.697 4.170 -0.000 0.000 0.292 497 I C -0.564 175.470 176.117 -0.138 0.000 1.066 497 I CA -0.463 60.756 61.300 -0.135 0.000 1.053 497 I CB 2.727 40.683 38.000 -0.073 0.000 1.241 497 I HN 0.635 nan 8.210 nan 0.000 0.421 498 T N 2.876 117.376 114.554 -0.089 0.000 2.934 498 T HA 0.320 4.670 4.350 -0.000 0.000 0.328 498 T C 0.516 175.192 174.700 -0.039 0.000 1.068 498 T CA -0.195 61.862 62.100 -0.071 0.000 1.018 498 T CB 1.126 69.953 68.868 -0.069 0.000 1.009 498 T HN 0.930 nan 8.240 nan 0.000 0.471 499 V N 1.509 121.405 119.914 -0.030 0.000 2.809 499 V HA 0.131 4.251 4.120 -0.000 0.000 0.256 499 V C 0.639 176.725 176.094 -0.013 0.000 1.080 499 V CA 2.236 64.526 62.300 -0.016 0.000 1.102 499 V CB -0.720 31.099 31.823 -0.008 0.000 0.705 499 V HN 1.054 nan 8.190 nan 0.000 0.475 500 D N -1.335 119.054 120.400 -0.018 0.000 4.512 500 D HA 0.200 4.840 4.640 -0.000 0.000 0.329 500 D C 0.657 176.946 176.300 -0.019 0.000 1.683 500 D CA 0.648 54.640 54.000 -0.013 0.000 0.980 500 D CB 0.746 41.543 40.800 -0.005 0.000 1.476 500 D HN 0.275 nan 8.370 nan 0.000 0.668 501 E N -0.814 119.380 120.200 -0.009 0.000 3.329 501 E HA -0.207 4.143 4.350 -0.000 0.000 0.126 501 E C 0.989 177.592 176.600 0.004 0.000 0.652 501 E CA 1.265 57.663 56.400 -0.003 0.000 3.052 501 E CB -1.462 28.231 29.700 -0.011 0.000 1.270 501 E HN 0.249 nan 8.360 nan 0.000 0.771 502 K N 2.776 123.177 120.400 0.002 0.000 2.360 502 K HA 0.112 4.432 4.320 -0.000 0.000 0.201 502 K C 0.060 176.662 176.600 0.004 0.000 1.046 502 K CA 1.123 57.412 56.287 0.004 0.000 0.945 502 K CB -0.403 32.098 32.500 0.002 0.000 0.750 502 K HN 0.509 nan 8.250 nan 0.000 0.464 503 S N 1.543 117.245 115.700 0.003 0.000 2.642 503 S HA -0.077 4.393 4.470 -0.000 0.000 0.308 503 S C 0.156 174.759 174.600 0.005 0.000 1.255 503 S CA 0.009 58.212 58.200 0.004 0.000 1.057 503 S CB 0.017 63.219 63.200 0.004 0.000 0.785 503 S HN 0.491 nan 8.310 nan 0.000 0.500 504 E N 2.541 122.744 120.200 0.005 0.000 3.791 504 E HA -0.299 4.051 4.350 -0.000 0.000 0.388 504 E C 0.776 177.379 176.600 0.006 0.000 1.636 504 E CA 1.190 57.593 56.400 0.005 0.000 2.031 504 E CB -0.831 28.872 29.700 0.005 0.000 1.715 504 E HN 1.083 nan 8.360 nan 0.000 0.386 505 L N -1.858 119.369 121.223 0.006 0.000 3.803 505 L HA -0.231 4.109 4.340 -0.000 0.000 0.407 505 L C 0.755 177.628 176.870 0.005 0.000 0.735 505 L CA 2.514 57.358 54.840 0.006 0.000 2.621 505 L CB -1.837 40.227 42.059 0.008 0.000 1.075 505 L HN 1.437 nan 8.230 nan 0.000 0.644 506 S N -3.182 112.521 115.700 0.005 0.000 4.706 506 S HA 0.013 4.483 4.470 -0.000 0.000 0.040 506 S C 0.898 175.501 174.600 0.005 0.000 0.868 506 S CA 0.502 58.705 58.200 0.004 0.000 0.894 506 S CB -0.939 62.263 63.200 0.004 0.000 0.322 506 S HN 0.486 nan 8.310 nan 0.000 0.806 507 R N 1.287 121.790 120.500 0.005 0.000 2.326 507 R HA 0.098 4.438 4.340 -0.000 0.000 0.216 507 R C 0.711 177.014 176.300 0.004 0.000 1.064 507 R CA 1.452 57.555 56.100 0.005 0.000 0.827 507 R CB -1.314 28.989 30.300 0.004 0.000 0.809 507 R HN 0.753 nan 8.270 nan 0.000 0.430 508 I N 1.123 121.696 120.570 0.004 0.000 2.831 508 I HA -0.247 3.922 4.170 -0.000 0.000 0.126 508 I C 0.645 176.764 176.117 0.004 0.000 0.894 508 I CA 0.154 61.456 61.300 0.003 0.000 2.782 508 I CB -1.533 36.469 38.000 0.003 0.000 0.649 508 I HN 0.229 nan 8.210 nan 0.000 0.351 509 V N 5.554 125.470 119.914 0.004 0.000 2.209 509 V HA -0.321 3.799 4.120 -0.000 0.000 0.143 509 V C 2.238 178.334 176.094 0.004 0.000 0.764 509 V CA 1.068 63.370 62.300 0.004 0.000 1.095 509 V CB -0.469 31.356 31.823 0.004 0.000 0.690 509 V HN 0.820 nan 8.190 nan 0.000 0.481 510 R N 0.774 121.276 120.500 0.004 0.000 3.318 510 R HA -0.274 4.066 4.340 -0.000 0.000 0.632 510 R C 1.113 177.415 176.300 0.004 0.000 0.252 510 R CA 2.243 58.346 56.100 0.004 0.000 1.372 510 R CB -1.899 28.403 30.300 0.003 0.000 0.671 510 R HN 0.990 nan 8.270 nan 0.000 0.488 511 G N 0.048 108.850 108.800 0.004 0.000 3.161 511 G HA2 0.430 4.390 3.960 -0.000 0.000 0.328 511 G HA3 0.430 4.390 3.960 -0.000 0.000 0.328 511 G C 0.764 175.666 174.900 0.004 0.000 1.037 511 G CA -0.415 44.687 45.100 0.004 0.000 1.416 511 G HN 0.199 nan 8.290 nan 0.000 0.486 512 V N 0.920 120.836 119.914 0.004 0.000 3.052 512 V HA 0.068 4.188 4.120 -0.000 0.000 0.254 512 V C 1.130 177.227 176.094 0.004 0.000 1.100 512 V CA 0.951 63.254 62.300 0.004 0.000 1.112 512 V CB -0.069 31.757 31.823 0.005 0.000 0.738 512 V HN 0.393 nan 8.190 nan 0.000 0.469 513 Q N -0.009 119.793 119.800 0.004 0.000 2.240 513 Q HA 0.324 4.664 4.340 -0.000 0.000 0.260 513 Q C 0.907 176.909 176.000 0.004 0.000 1.018 513 Q CA -0.209 55.597 55.803 0.004 0.000 0.898 513 Q CB 2.017 30.758 28.738 0.005 0.000 1.301 513 Q HN 0.536 nan 8.270 nan 0.000 0.469 514 E N 0.476 120.678 120.200 0.004 0.000 2.110 514 E HA 0.180 4.530 4.350 -0.000 0.000 0.193 514 E C -0.375 176.227 176.600 0.004 0.000 0.950 514 E CA 0.267 56.669 56.400 0.003 0.000 0.840 514 E CB 0.100 29.802 29.700 0.003 0.000 0.809 514 E HN 0.520 nan 8.360 nan 0.000 0.465 515 K N -1.430 118.972 120.400 0.004 0.000 4.594 515 K HA -0.147 4.173 4.320 -0.000 0.000 0.887 515 K C 0.810 177.412 176.600 0.004 0.000 2.502 515 K CA 0.771 57.060 56.287 0.004 0.000 1.440 515 K CB -1.294 31.209 32.500 0.004 0.000 2.620 515 K HN 0.243 nan 8.250 nan 0.000 0.217 516 G N 1.119 109.921 108.800 0.004 0.000 2.505 516 G HA2 -0.252 3.708 3.960 -0.000 0.000 0.220 516 G HA3 -0.252 3.708 3.960 -0.000 0.000 0.220 516 G C -0.406 174.495 174.900 0.003 0.000 1.145 516 G CA 1.193 46.295 45.100 0.004 0.000 0.761 516 G HN 0.746 nan 8.290 nan 0.000 0.571 517 P HA -0.094 nan 4.420 nan 0.000 0.209 517 P C 0.548 177.849 177.300 0.003 0.000 1.167 517 P CA 1.370 64.471 63.100 0.003 0.000 0.941 517 P CB 0.158 31.860 31.700 0.003 0.000 0.787 518 E N -2.128 118.073 120.200 0.003 0.000 2.412 518 E HA 0.477 4.827 4.350 -0.000 0.000 0.279 518 E C -1.209 175.392 176.600 0.002 0.000 0.984 518 E CA -0.648 55.753 56.400 0.002 0.000 0.788 518 E CB 2.111 31.812 29.700 0.002 0.000 1.277 518 E HN 0.225 nan 8.360 nan 0.000 0.455 519 S N 0.000 115.701 115.700 0.002 0.000 2.498 519 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 519 S CA 0.000 58.201 58.200 0.002 0.000 1.107 519 S CB 0.000 63.201 63.200 0.002 0.000 0.593 519 S HN 0.000 nan 8.310 nan 0.000 0.517