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 3d31_1_A DATA FIRST_RESID 1 DATA SEQUENCE MIEIESLSRK WKNFSLDNLS LKVESGEYFV ILGPTGAGKT LFLELIAGFH DATA SEQUENCE VPDSGRILLD GKDVTDLSPE KHDIAFVYQN YSLFPHMNVK KNLEFGMRMK DATA SEQUENCE KIKDPKRVLD TARDLKIEHL LDRNPLTLSG GEQQRVALAR ALVTNPKILL DATA SEQUENCE LDEPLSALDP RTQENAREML SVLHKKNKLT VLHITHDQTE ARIMADRIAV DATA SEQUENCE VMDGKLIQVG KPEEIFEKPV EGRVASFVGF ENVLKGRVIS AEQGLLRIRV DATA SEQUENCE GEVVIDAAGD MEVGDQVYAF LRPENIALSK SSTQSSIRNS LQGRVTEAWV DATA SEQUENCE LGALVRVKVD CGVPLNVLIT RRSAEEMELS PGVQIYARFK ASSVHVLR 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.299 176.300 -0.002 0.000 1.140 1 M CA 0.000 55.303 55.300 0.005 0.000 0.988 1 M CB 0.000 32.612 32.600 0.020 0.000 1.302 2 I N 1.750 122.316 120.570 -0.007 0.000 2.304 2 I HA 0.345 4.515 4.170 0.000 0.000 0.291 2 I C -0.083 176.014 176.117 -0.033 0.000 1.018 2 I CA -0.078 61.217 61.300 -0.009 0.000 1.260 2 I CB 1.242 39.247 38.000 0.009 0.000 1.390 2 I HN 0.189 nan 8.210 nan 0.000 0.475 3 E N 7.383 127.570 120.200 -0.022 0.000 2.241 3 E HA 0.500 4.850 4.350 0.000 0.000 0.263 3 E C -1.276 175.320 176.600 -0.006 0.000 0.882 3 E CA -0.617 55.767 56.400 -0.025 0.000 0.769 3 E CB 1.791 31.477 29.700 -0.025 0.000 1.185 3 E HN 0.552 nan 8.360 nan 0.000 0.415 4 I N 3.738 124.315 120.570 0.011 0.000 2.336 4 I HA 0.226 4.396 4.170 0.000 0.000 0.292 4 I C -0.116 176.021 176.117 0.034 0.000 0.991 4 I CA -0.371 60.951 61.300 0.036 0.000 1.227 4 I CB 1.541 39.601 38.000 0.100 0.000 1.366 4 I HN 0.538 nan 8.210 nan 0.000 0.466 5 E N 4.838 125.052 120.200 0.023 0.000 2.149 5 E HA 0.260 4.610 4.350 0.000 0.000 0.255 5 E C -0.456 176.157 176.600 0.020 0.000 0.888 5 E CA -0.271 56.139 56.400 0.016 0.000 0.742 5 E CB 0.854 30.556 29.700 0.003 0.000 1.164 5 E HN 0.656 nan 8.360 nan 0.000 0.422 6 S N 2.371 118.087 115.700 0.026 0.000 3.550 6 S HA -0.217 4.253 4.470 0.000 0.000 0.372 6 S C 0.082 174.698 174.600 0.026 0.000 0.966 6 S CA 0.301 58.514 58.200 0.022 0.000 1.229 6 S CB -1.116 62.089 63.200 0.008 0.000 0.917 6 S HN 0.600 nan 8.310 nan 0.000 0.496 7 L N 1.099 122.352 121.223 0.051 0.000 2.418 7 L HA 0.528 4.868 4.340 0.000 0.000 0.265 7 L C 0.348 177.244 176.870 0.044 0.000 1.143 7 L CA 0.061 54.934 54.840 0.055 0.000 0.809 7 L CB 1.341 43.462 42.059 0.102 0.000 1.124 7 L HN 0.379 nan 8.230 nan 0.000 0.456 8 S N 2.165 117.869 115.700 0.007 0.000 2.582 8 S HA 0.546 5.016 4.470 0.000 0.000 0.287 8 S C -1.446 173.088 174.600 -0.110 0.000 1.146 8 S CA -0.734 57.444 58.200 -0.037 0.000 0.941 8 S CB 1.890 65.062 63.200 -0.046 0.000 1.115 8 S HN 0.568 nan 8.310 nan 0.000 0.458 9 R N 1.903 122.289 120.500 -0.190 0.000 2.668 9 R HA 0.596 4.936 4.340 0.000 0.000 0.272 9 R C -2.066 173.943 176.300 -0.486 0.000 1.019 9 R CA -0.528 55.319 56.100 -0.422 0.000 0.894 9 R CB 1.043 30.952 30.300 -0.653 0.000 1.228 9 R HN 0.523 nan 8.270 nan 0.000 0.460 10 K N 3.147 123.225 120.400 -0.537 0.000 2.502 10 K HA 0.391 4.711 4.320 0.000 0.000 0.254 10 K C -0.859 175.546 176.600 -0.325 0.000 0.947 10 K CA -0.671 55.419 56.287 -0.327 0.000 0.834 10 K CB 1.302 33.702 32.500 -0.167 0.000 1.112 10 K HN 0.371 nan 8.250 nan 0.000 0.427 11 W N 1.576 122.899 121.300 0.040 0.000 2.901 11 W HA 0.324 4.984 4.660 -0.000 0.000 0.436 11 W C 1.133 177.676 176.519 0.040 0.000 1.613 11 W CA -0.692 56.675 57.345 0.037 0.000 1.538 11 W CB 0.464 29.959 29.460 0.058 0.000 1.983 11 W HN 0.432 nan 8.180 nan 0.000 0.692 12 K N 0.667 121.253 120.400 0.311 0.000 2.432 12 K HA -0.075 4.245 4.320 0.000 0.000 0.196 12 K C 0.949 177.641 176.600 0.153 0.000 1.038 12 K CA 1.011 57.402 56.287 0.172 0.000 0.986 12 K CB 0.127 32.700 32.500 0.122 0.000 0.782 12 K HN 0.365 nan 8.250 nan 0.000 0.485 13 N N -1.105 117.719 118.700 0.208 0.000 2.008 13 N HA -0.028 4.712 4.740 0.000 0.000 0.228 13 N C -0.486 175.199 175.510 0.291 0.000 1.375 13 N CA -0.279 52.881 53.050 0.183 0.000 0.856 13 N CB 0.351 38.911 38.487 0.121 0.000 1.096 13 N HN -0.065 nan 8.380 nan 0.000 0.489 14 F N 2.001 122.057 119.950 0.177 0.000 2.507 14 F HA 0.645 5.172 4.527 0.000 0.000 0.325 14 F C -0.833 175.121 175.800 0.257 0.000 1.116 14 F CA -0.722 57.404 58.000 0.211 0.000 0.930 14 F CB 2.157 41.303 39.000 0.244 0.000 1.146 14 F HN -0.176 nan 8.300 nan 0.000 0.447 15 S N 6.207 121.711 115.700 -0.325 0.000 2.552 15 S HA 0.627 5.097 4.470 0.000 0.000 0.314 15 S C -0.948 173.373 174.600 -0.466 0.000 1.099 15 S CA -0.610 57.426 58.200 -0.272 0.000 1.070 15 S CB 1.117 64.221 63.200 -0.160 0.000 0.998 15 S HN 0.514 nan 8.310 nan 0.000 0.474 16 L N 4.556 125.621 121.223 -0.264 0.000 2.298 16 L HA 0.518 4.858 4.340 0.000 0.000 0.284 16 L C -0.809 176.007 176.870 -0.089 0.000 1.013 16 L CA -0.679 54.065 54.840 -0.159 0.000 0.824 16 L CB 1.155 43.255 42.059 0.068 0.000 1.221 16 L HN 0.627 nan 8.230 nan 0.000 0.418 17 D N 2.877 123.230 120.400 -0.079 0.000 2.498 17 D HA 0.133 4.773 4.640 0.000 0.000 0.247 17 D C -0.151 176.139 176.300 -0.016 0.000 1.070 17 D CA -0.760 53.211 54.000 -0.049 0.000 0.842 17 D CB 1.461 42.224 40.800 -0.061 0.000 1.361 17 D HN 0.262 nan 8.370 nan 0.000 0.484 18 N N 1.182 119.881 118.700 -0.003 0.000 2.664 18 N HA -0.189 4.551 4.740 0.000 0.000 0.296 18 N C -1.260 174.270 175.510 0.033 0.000 1.153 18 N CA 0.427 53.484 53.050 0.012 0.000 0.765 18 N CB -0.780 37.707 38.487 0.000 0.000 0.962 18 N HN 0.542 nan 8.380 nan 0.000 0.564 19 L N 1.484 122.749 121.223 0.070 0.000 2.305 19 L HA 0.418 4.758 4.340 0.000 0.000 0.284 19 L C -0.065 176.870 176.870 0.107 0.000 1.013 19 L CA -0.474 54.433 54.840 0.112 0.000 0.819 19 L CB 1.512 43.703 42.059 0.221 0.000 1.227 19 L HN 0.192 nan 8.230 nan 0.000 0.417 20 S N 5.046 120.796 115.700 0.085 0.000 2.561 20 S HA 0.804 5.274 4.470 0.000 0.000 0.303 20 S C -0.679 173.954 174.600 0.056 0.000 1.110 20 S CA -0.543 57.694 58.200 0.061 0.000 1.034 20 S CB 1.710 64.931 63.200 0.034 0.000 1.010 20 S HN 0.371 nan 8.310 nan 0.000 0.482 21 L N 2.313 123.555 121.223 0.032 0.000 2.518 21 L HA 0.578 4.918 4.340 0.000 0.000 0.257 21 L C -1.099 175.710 176.870 -0.102 0.000 0.980 21 L CA -0.783 54.035 54.840 -0.037 0.000 0.837 21 L CB 2.471 44.519 42.059 -0.019 0.000 1.410 21 L HN 0.441 nan 8.230 nan 0.000 0.410 22 K N 1.801 122.082 120.400 -0.197 0.000 2.640 22 K HA 0.520 4.840 4.320 0.000 0.000 0.245 22 K C -1.477 174.946 176.600 -0.296 0.000 0.962 22 K CA -0.545 55.637 56.287 -0.175 0.000 0.896 22 K CB 2.593 35.036 32.500 -0.096 0.000 1.147 22 K HN 0.185 nan 8.250 nan 0.000 0.445 23 V N 2.878 122.629 119.914 -0.272 0.000 2.350 23 V HA 0.195 4.315 4.120 0.000 0.000 0.276 23 V C 0.087 176.137 176.094 -0.073 0.000 1.028 23 V CA -0.696 61.456 62.300 -0.246 0.000 0.860 23 V CB 1.156 32.881 31.823 -0.164 0.000 0.990 23 V HN 0.644 nan 8.190 nan 0.000 0.453 24 E N 2.643 122.830 120.200 -0.021 0.000 2.349 24 E HA 0.354 4.704 4.350 0.000 0.000 0.265 24 E C 0.385 177.015 176.600 0.051 0.000 1.064 24 E CA -0.050 56.360 56.400 0.016 0.000 0.886 24 E CB 0.878 30.595 29.700 0.028 0.000 1.036 24 E HN 0.870 nan 8.360 nan 0.000 0.413 25 S N 1.753 117.479 115.700 0.044 0.000 2.599 25 S HA 0.147 4.617 4.470 0.000 0.000 0.303 25 S C 1.276 175.927 174.600 0.085 0.000 1.267 25 S CA 0.059 58.292 58.200 0.056 0.000 1.055 25 S CB 0.210 63.432 63.200 0.037 0.000 0.790 25 S HN 1.007 nan 8.310 nan 0.000 0.500 26 G N 1.318 110.186 108.800 0.112 0.000 2.220 26 G HA2 -0.341 3.619 3.960 0.000 0.000 0.269 26 G HA3 -0.341 3.619 3.960 0.000 0.000 0.269 26 G C -0.075 175.036 174.900 0.352 0.000 0.977 26 G CA 0.518 45.709 45.100 0.152 0.000 0.634 26 G HN 1.065 nan 8.290 nan 0.000 0.539 27 E N -0.253 120.118 120.200 0.285 0.000 2.338 27 E HA 0.424 4.774 4.350 0.000 0.000 0.272 27 E C -0.618 176.171 176.600 0.316 0.000 1.029 27 E CA -0.943 55.652 56.400 0.326 0.000 0.872 27 E CB 0.224 30.060 29.700 0.227 0.000 1.015 27 E HN 0.216 nan 8.360 nan 0.000 0.417 28 Y N 6.041 126.401 120.300 0.100 0.000 2.751 28 Y HA 0.206 4.756 4.550 0.000 0.000 0.333 28 Y C -1.257 174.681 175.900 0.064 0.000 1.122 28 Y CA -0.942 57.076 58.100 -0.136 0.000 1.367 28 Y CB -0.255 37.923 38.460 -0.470 0.000 1.242 28 Y HN 0.431 nan 8.280 nan 0.000 0.505 29 F N 4.321 124.368 119.950 0.162 0.000 2.412 29 F HA 0.511 5.038 4.527 0.000 0.000 0.348 29 F C -0.695 175.235 175.800 0.217 0.000 1.102 29 F CA -0.509 57.593 58.000 0.171 0.000 1.196 29 F CB 0.679 39.750 39.000 0.118 0.000 1.144 29 F HN 0.039 nan 8.300 nan 0.000 0.541 30 V N 7.677 127.273 119.914 -0.530 0.000 2.444 30 V HA 0.348 4.468 4.120 0.000 0.000 0.294 30 V C -0.007 175.860 176.094 -0.378 0.000 1.022 30 V CA -0.871 61.272 62.300 -0.262 0.000 0.850 30 V CB 1.535 33.255 31.823 -0.172 0.000 0.992 30 V HN 0.534 nan 8.190 nan 0.000 0.426 31 I N 5.565 126.083 120.570 -0.087 0.000 2.365 31 I HA 0.400 4.570 4.170 0.000 0.000 0.291 31 I C -0.599 175.517 176.117 -0.002 0.000 1.004 31 I CA -0.375 60.906 61.300 -0.032 0.000 1.311 31 I CB 1.464 39.518 38.000 0.090 0.000 1.401 31 I HN 0.364 nan 8.210 nan 0.000 0.491 32 L N 5.707 126.919 121.223 -0.019 0.000 2.386 32 L HA 0.860 5.200 4.340 0.000 0.000 0.271 32 L C 0.242 177.125 176.870 0.022 0.000 0.993 32 L CA 0.388 55.255 54.840 0.045 0.000 0.819 32 L CB 1.544 43.644 42.059 0.068 0.000 1.294 32 L HN 0.830 nan 8.230 nan 0.000 0.414 33 G N 3.298 112.152 108.800 0.089 0.000 2.906 33 G HA2 -0.102 3.858 3.960 0.000 0.000 0.196 33 G HA3 -0.102 3.858 3.960 0.000 0.000 0.196 33 G C -2.389 172.525 174.900 0.023 0.000 2.215 33 G CA -0.088 44.978 45.100 -0.058 0.000 1.518 33 G HN 0.644 nan 8.290 nan 0.000 0.495 34 P HA 0.254 nan 4.420 nan 0.000 0.271 34 P C -0.624 176.690 177.300 0.023 0.000 1.197 34 P CA 1.057 64.178 63.100 0.036 0.000 0.777 34 P CB 0.238 31.944 31.700 0.010 0.000 0.827 35 T N 1.010 115.545 114.554 -0.032 0.000 2.815 35 T HA 0.472 4.822 4.350 0.000 0.000 0.289 35 T C 1.167 175.794 174.700 -0.123 0.000 1.000 35 T CA 0.191 62.249 62.100 -0.070 0.000 0.958 35 T CB 1.346 70.176 68.868 -0.063 0.000 0.944 35 T HN 0.748 nan 8.240 nan 0.000 0.442 36 G N 3.770 112.499 108.800 -0.118 0.000 3.282 36 G HA2 -0.418 3.542 3.960 0.000 0.000 0.367 36 G HA3 -0.418 3.542 3.960 0.000 0.000 0.367 36 G C 1.651 176.440 174.900 -0.185 0.000 1.377 36 G CA 1.265 46.289 45.100 -0.126 0.000 1.254 36 G HN 1.198 nan 8.290 nan 0.000 0.717 37 A N 0.089 122.787 122.820 -0.203 0.000 1.909 37 A HA -0.008 4.312 4.320 0.000 0.000 0.221 37 A C 3.040 180.323 177.584 -0.502 0.000 1.223 37 A CA 3.613 55.484 52.037 -0.277 0.000 0.658 37 A CB -1.457 17.421 19.000 -0.203 0.000 0.831 37 A HN 1.991 nan 8.150 nan 0.000 0.462 38 G N -0.294 108.072 108.800 -0.724 0.000 2.575 38 G HA2 -0.210 3.750 3.960 0.000 0.000 0.215 38 G HA3 -0.210 3.750 3.960 0.000 0.000 0.215 38 G C 1.513 176.026 174.900 -0.645 0.000 1.262 38 G CA 1.278 45.497 45.100 -1.469 0.000 0.807 38 G HN 0.669 nan 8.290 nan 0.000 0.567 39 K N -0.188 120.034 120.400 -0.296 0.000 2.005 39 K HA -0.235 4.085 4.320 0.000 0.000 0.229 39 K C 2.399 179.007 176.600 0.013 0.000 1.050 39 K CA 2.226 58.482 56.287 -0.051 0.000 0.994 39 K CB -1.496 30.993 32.500 -0.019 0.000 0.736 39 K HN 0.229 nan 8.250 nan 0.000 0.448 40 T N 1.840 116.367 114.554 -0.045 0.000 2.721 40 T HA -0.159 4.191 4.350 0.000 0.000 0.268 40 T C 1.924 176.658 174.700 0.056 0.000 1.038 40 T CA 1.574 63.681 62.100 0.012 0.000 1.145 40 T CB -0.247 68.622 68.868 0.002 0.000 0.858 40 T HN 0.172 nan 8.240 nan 0.000 0.459 41 L N -0.744 120.433 121.223 -0.076 0.000 2.068 41 L HA 0.077 4.417 4.340 0.000 0.000 0.204 41 L C 2.249 179.255 176.870 0.226 0.000 1.076 41 L CA 0.979 55.763 54.840 -0.093 0.000 0.753 41 L CB -0.530 41.113 42.059 -0.693 0.000 0.910 41 L HN 0.167 nan 8.230 nan 0.000 0.439 42 F N 0.795 120.838 119.950 0.154 0.000 2.087 42 F HA -0.312 4.215 4.527 0.000 0.000 0.299 42 F C 2.294 178.256 175.800 0.271 0.000 1.100 42 F CA 1.671 59.862 58.000 0.319 0.000 1.226 42 F CB -0.246 38.930 39.000 0.293 0.000 0.983 42 F HN -0.095 nan 8.300 nan 0.000 0.479 43 L N -0.210 121.184 121.223 0.286 0.000 2.093 43 L HA -0.201 4.139 4.340 0.000 0.000 0.208 43 L C 2.406 179.432 176.870 0.260 0.000 1.085 43 L CA 1.617 56.604 54.840 0.244 0.000 0.755 43 L CB -0.551 41.666 42.059 0.263 0.000 0.904 43 L HN 0.222 nan 8.230 nan 0.000 0.435 44 E N -0.289 120.089 120.200 0.297 0.000 2.077 44 E HA -0.277 4.073 4.350 0.000 0.000 0.193 44 E C 2.031 178.719 176.600 0.147 0.000 0.989 44 E CA 1.167 57.743 56.400 0.295 0.000 0.800 44 E CB -0.179 29.732 29.700 0.352 0.000 0.746 44 E HN 0.280 nan 8.360 nan 0.000 0.452 45 L N 1.388 122.767 121.223 0.260 0.000 2.083 45 L HA -0.178 4.162 4.340 0.000 0.000 0.209 45 L C 1.988 178.824 176.870 -0.056 0.000 1.083 45 L CA 1.487 56.443 54.840 0.193 0.000 0.752 45 L CB -0.345 41.900 42.059 0.311 0.000 0.899 45 L HN 0.058 nan 8.230 nan 0.000 0.433 46 I N 0.601 121.091 120.570 -0.132 0.000 2.142 46 I HA -0.234 3.936 4.170 0.000 0.000 0.240 46 I C 2.612 178.576 176.117 -0.255 0.000 1.078 46 I CA 1.543 62.753 61.300 -0.150 0.000 1.343 46 I CB -1.942 35.989 38.000 -0.114 0.000 1.046 46 I HN 0.385 nan 8.210 nan 0.000 0.405 47 A N 0.130 122.711 122.820 -0.399 0.000 2.178 47 A HA 0.115 4.435 4.320 0.000 0.000 0.218 47 A C 1.725 178.438 177.584 -1.450 0.000 1.157 47 A CA 1.131 52.664 52.037 -0.839 0.000 0.689 47 A CB -0.969 17.413 19.000 -1.030 0.000 0.787 47 A HN 0.736 nan 8.150 nan 0.000 0.465 48 G N -2.386 105.786 108.800 -1.046 0.000 2.303 48 G HA2 -0.228 3.732 3.960 0.000 0.000 0.260 48 G HA3 -0.228 3.732 3.960 0.000 0.000 0.260 48 G C 0.121 174.555 174.900 -0.778 0.000 1.106 48 G CA 0.207 44.801 45.100 -0.844 0.000 0.900 48 G HN 0.503 nan 8.290 nan 0.000 0.495 49 F N -0.423 119.323 119.950 -0.340 0.000 2.706 49 F HA 0.338 4.865 4.527 0.000 0.000 0.308 49 F C 1.063 176.570 175.800 -0.490 0.000 1.095 49 F CA -0.233 57.502 58.000 -0.441 0.000 1.244 49 F CB 0.651 39.278 39.000 -0.621 0.000 1.063 49 F HN 0.259 nan 8.300 nan 0.000 0.582 50 H N 0.245 119.440 119.070 0.209 0.000 2.840 50 H HA 0.385 4.941 4.556 0.000 0.000 0.340 50 H C -0.682 174.721 175.328 0.126 0.000 1.004 50 H CA -0.888 55.307 56.048 0.245 0.000 1.288 50 H CB 1.700 31.752 29.762 0.483 0.000 1.607 50 H HN -0.298 nan 8.280 nan 0.000 0.522 51 V N 5.945 125.974 119.914 0.191 0.000 2.583 51 V HA 0.137 4.257 4.120 0.000 0.000 0.287 51 V C -1.400 174.719 176.094 0.043 0.000 1.051 51 V CA -1.066 61.288 62.300 0.090 0.000 1.010 51 V CB 1.088 32.947 31.823 0.059 0.000 0.988 51 V HN 0.633 nan 8.190 nan 0.000 0.478 52 P HA 0.165 nan 4.420 nan 0.000 0.282 52 P C -0.123 177.131 177.300 -0.076 0.000 1.286 52 P CA -0.101 62.967 63.100 -0.054 0.000 0.777 52 P CB 1.177 32.860 31.700 -0.029 0.000 1.184 53 D N -1.720 118.619 120.400 -0.102 0.000 2.431 53 D HA 0.035 4.675 4.640 0.000 0.000 0.235 53 D C 0.597 176.863 176.300 -0.057 0.000 0.980 53 D CA 1.002 54.948 54.000 -0.089 0.000 0.912 53 D CB 0.288 41.017 40.800 -0.117 0.000 1.056 53 D HN 0.462 nan 8.370 nan 0.000 0.494 54 S N -1.071 114.598 115.700 -0.052 0.000 2.556 54 S HA 0.675 5.145 4.470 0.000 0.000 0.271 54 S C 0.090 174.677 174.600 -0.022 0.000 1.135 54 S CA -0.108 58.072 58.200 -0.033 0.000 0.858 54 S CB 2.921 66.102 63.200 -0.032 0.000 1.114 54 S HN 0.374 nan 8.310 nan 0.000 0.468 55 G N 1.294 110.086 108.800 -0.014 0.000 2.603 55 G HA2 0.222 4.182 3.960 0.000 0.000 0.686 55 G HA3 0.222 4.182 3.960 0.000 0.000 0.686 55 G C -1.546 173.350 174.900 -0.006 0.000 1.286 55 G CA -1.056 44.041 45.100 -0.006 0.000 0.871 55 G HN 0.766 nan 8.290 nan 0.000 0.568 56 R N -1.168 119.330 120.500 -0.003 0.000 2.888 56 R HA 0.816 5.156 4.340 0.000 0.000 0.266 56 R C -0.570 175.726 176.300 -0.006 0.000 1.020 56 R CA -0.947 55.148 56.100 -0.008 0.000 0.963 56 R CB 1.703 31.995 30.300 -0.013 0.000 1.197 56 R HN 0.616 nan 8.270 nan 0.000 0.481 57 I N 2.390 122.952 120.570 -0.013 0.000 2.512 57 I HA 0.322 4.492 4.170 0.000 0.000 0.287 57 I C -0.979 175.122 176.117 -0.028 0.000 1.069 57 I CA -0.489 60.805 61.300 -0.010 0.000 1.056 57 I CB 1.726 39.732 38.000 0.010 0.000 1.229 57 I HN 0.229 nan 8.210 nan 0.000 0.429 58 L N 7.721 128.930 121.223 -0.024 0.000 2.401 58 L HA 0.508 4.848 4.340 0.000 0.000 0.263 58 L C -0.766 176.088 176.870 -0.026 0.000 1.004 58 L CA -0.354 54.465 54.840 -0.034 0.000 0.881 58 L CB 1.035 43.076 42.059 -0.029 0.000 1.219 58 L HN 0.371 nan 8.230 nan 0.000 0.441 59 L N 3.260 124.464 121.223 -0.032 0.000 2.276 59 L HA 0.299 4.639 4.340 0.000 0.000 0.286 59 L C 1.061 177.920 176.870 -0.019 0.000 1.061 59 L CA -0.218 54.614 54.840 -0.012 0.000 0.807 59 L CB 0.882 42.947 42.059 0.009 0.000 1.177 59 L HN 0.722 nan 8.230 nan 0.000 0.429 60 D N 2.837 123.232 120.400 -0.007 0.000 3.077 60 D HA -0.218 4.422 4.640 0.000 0.000 0.217 60 D C 0.929 177.220 176.300 -0.015 0.000 1.162 60 D CA 1.104 55.100 54.000 -0.007 0.000 0.943 60 D CB -0.219 40.577 40.800 -0.006 0.000 1.122 60 D HN 1.131 nan 8.370 nan 0.000 0.413 61 G N -0.227 108.561 108.800 -0.020 0.000 2.141 61 G HA2 -0.266 3.694 3.960 0.000 0.000 0.242 61 G HA3 -0.266 3.694 3.960 0.000 0.000 0.242 61 G C -0.010 174.870 174.900 -0.033 0.000 0.982 61 G CA 0.598 45.684 45.100 -0.023 0.000 0.662 61 G HN 0.369 nan 8.290 nan 0.000 0.527 62 K N 0.890 121.263 120.400 -0.046 0.000 2.235 62 K HA 0.390 4.710 4.320 0.000 0.000 0.266 62 K C -0.662 175.887 176.600 -0.085 0.000 0.980 62 K CA -0.862 55.386 56.287 -0.065 0.000 0.849 62 K CB 1.790 34.244 32.500 -0.078 0.000 1.098 62 K HN 0.228 nan 8.250 nan 0.000 0.445 63 D N 2.508 122.862 120.400 -0.077 0.000 2.342 63 D HA 0.017 4.657 4.640 0.000 0.000 0.260 63 D C 0.869 177.091 176.300 -0.129 0.000 1.278 63 D CA -0.136 53.816 54.000 -0.082 0.000 0.910 63 D CB 0.490 41.256 40.800 -0.058 0.000 1.079 63 D HN 0.293 nan 8.370 nan 0.000 0.496 64 V N 1.219 121.023 119.914 -0.184 0.000 3.605 64 V HA 0.064 4.184 4.120 0.000 0.000 0.284 64 V C 2.107 178.063 176.094 -0.229 0.000 1.386 64 V CA 0.548 62.638 62.300 -0.351 0.000 1.053 64 V CB -0.558 30.803 31.823 -0.769 0.000 0.857 64 V HN 0.626 nan 8.190 nan 0.000 0.436 65 T N -0.884 113.619 114.554 -0.086 0.000 2.792 65 T HA -0.300 4.050 4.350 0.000 0.000 0.268 65 T C 1.035 175.738 174.700 0.005 0.000 1.059 65 T CA 2.361 64.456 62.100 -0.007 0.000 1.136 65 T CB -0.641 68.220 68.868 -0.011 0.000 0.846 65 T HN 0.598 nan 8.240 nan 0.000 0.489 66 D N 0.231 120.615 120.400 -0.028 0.000 2.571 66 D HA 0.388 5.028 4.640 0.000 0.000 0.239 66 D C 0.428 176.715 176.300 -0.022 0.000 1.267 66 D CA -0.165 53.827 54.000 -0.012 0.000 0.823 66 D CB 0.532 41.322 40.800 -0.017 0.000 1.056 66 D HN 0.438 nan 8.370 nan 0.000 0.494 67 L N -0.446 120.750 121.223 -0.046 0.000 2.693 67 L HA 0.474 4.814 4.340 0.000 0.000 0.253 67 L C 0.595 177.489 176.870 0.040 0.000 1.155 67 L CA -0.609 54.199 54.840 -0.054 0.000 1.026 67 L CB 0.944 42.893 42.059 -0.182 0.000 1.817 67 L HN -0.244 nan 8.230 nan 0.000 0.556 68 S N -1.069 114.665 115.700 0.056 0.000 2.568 68 S HA 0.354 4.824 4.470 0.000 0.000 0.302 68 S C -1.957 172.732 174.600 0.148 0.000 1.082 68 S CA -1.158 57.086 58.200 0.074 0.000 1.009 68 S CB 2.087 65.306 63.200 0.032 0.000 1.069 68 S HN 0.257 nan 8.310 nan 0.000 0.500 69 P HA -0.197 nan 4.420 nan 0.000 0.217 69 P C 0.698 177.975 177.300 -0.038 0.000 1.158 69 P CA 1.515 64.465 63.100 -0.250 0.000 0.887 69 P CB 0.081 31.578 31.700 -0.338 0.000 0.792 70 E N -0.387 119.825 120.200 0.020 0.000 2.153 70 E HA -0.168 4.182 4.350 0.000 0.000 0.194 70 E C 1.796 178.419 176.600 0.039 0.000 0.988 70 E CA 1.163 57.589 56.400 0.042 0.000 0.811 70 E CB -0.588 29.137 29.700 0.041 0.000 0.746 70 E HN 0.324 nan 8.360 nan 0.000 0.466 71 K N -0.224 120.201 120.400 0.043 0.000 2.243 71 K HA 0.022 4.342 4.320 0.000 0.000 0.201 71 K C 1.919 178.525 176.600 0.010 0.000 1.051 71 K CA 0.576 56.870 56.287 0.012 0.000 0.970 71 K CB -0.030 32.458 32.500 -0.021 0.000 0.755 71 K HN 0.300 nan 8.250 nan 0.000 0.465 72 H N 0.951 119.972 119.070 -0.082 0.000 2.489 72 H HA -0.134 4.422 4.556 0.000 0.000 0.295 72 H C 0.100 175.397 175.328 -0.052 0.000 1.082 72 H CA 0.864 56.860 56.048 -0.086 0.000 1.295 72 H CB 0.014 29.690 29.762 -0.144 0.000 1.380 72 H HN 0.282 nan 8.280 nan 0.000 0.548 73 D N 0.680 121.130 120.400 0.083 0.000 2.803 73 D HA -0.190 4.450 4.640 0.000 0.000 0.233 73 D C -0.180 176.158 176.300 0.063 0.000 1.182 73 D CA 0.502 54.535 54.000 0.055 0.000 0.726 73 D CB -1.281 39.537 40.800 0.030 0.000 0.987 73 D HN 0.406 nan 8.370 nan 0.000 0.412 74 I N -0.571 120.041 120.570 0.070 0.000 3.522 74 I HA 0.749 4.919 4.170 0.000 0.000 0.292 74 I C 0.417 176.597 176.117 0.105 0.000 1.147 74 I CA -1.093 60.254 61.300 0.080 0.000 1.032 74 I CB 1.663 39.707 38.000 0.073 0.000 1.337 74 I HN 0.173 nan 8.210 nan 0.000 0.496 75 A N 1.291 124.188 122.820 0.127 0.000 2.343 75 A HA 0.744 5.064 4.320 0.000 0.000 0.308 75 A C -1.598 176.113 177.584 0.210 0.000 1.092 75 A CA -0.189 51.934 52.037 0.143 0.000 0.751 75 A CB 0.907 19.961 19.000 0.090 0.000 1.203 75 A HN 0.465 nan 8.150 nan 0.000 0.452 76 F N 2.707 122.673 119.950 0.027 0.000 2.536 76 F HA 0.580 5.107 4.527 0.000 0.000 0.322 76 F C -0.952 174.843 175.800 -0.008 0.000 1.144 76 F CA -0.563 57.425 58.000 -0.020 0.000 0.924 76 F CB 2.244 41.238 39.000 -0.009 0.000 1.181 76 F HN 0.305 nan 8.300 nan 0.000 0.438 77 V N 7.277 126.959 119.914 -0.386 0.000 2.340 77 V HA 0.242 4.362 4.120 0.000 0.000 0.277 77 V C -0.397 175.483 176.094 -0.358 0.000 1.017 77 V CA -0.850 61.330 62.300 -0.199 0.000 0.820 77 V CB 0.427 32.211 31.823 -0.065 0.000 1.028 77 V HN 0.620 nan 8.190 nan 0.000 0.436 78 Y N 1.754 121.893 120.300 -0.268 0.000 2.554 78 Y HA -0.128 4.422 4.550 0.000 0.000 0.353 78 Y C 1.910 177.643 175.900 -0.279 0.000 1.269 78 Y CA 1.078 59.022 58.100 -0.260 0.000 1.494 78 Y CB 0.461 38.837 38.460 -0.141 0.000 1.365 78 Y HN 0.672 nan 8.280 nan 0.000 0.664 79 Q N 0.823 120.567 119.800 -0.093 0.000 2.084 79 Q HA -0.185 4.155 4.340 0.000 0.000 0.202 79 Q C -0.119 175.561 176.000 -0.533 0.000 0.978 79 Q CA 1.511 57.180 55.803 -0.223 0.000 0.844 79 Q CB -0.037 28.615 28.738 -0.143 0.000 0.898 79 Q HN 0.602 nan 8.270 nan 0.000 0.426 80 N N 1.511 119.941 118.700 -0.450 0.000 3.322 80 N HA 0.049 4.789 4.740 0.000 0.000 0.290 80 N C -1.198 173.998 175.510 -0.523 0.000 1.297 80 N CA -0.197 52.476 53.050 -0.629 0.000 1.167 80 N CB -0.075 38.220 38.487 -0.320 0.000 1.434 80 N HN 0.238 nan 8.380 nan 0.000 0.526 81 Y N -0.670 119.622 120.300 -0.013 0.000 2.523 81 Y HA -0.219 4.331 4.550 0.000 0.000 0.415 81 Y C 0.786 176.643 175.900 -0.073 0.000 1.141 81 Y CA -0.228 57.861 58.100 -0.018 0.000 1.596 81 Y CB -1.445 37.002 38.460 -0.021 0.000 1.095 81 Y HN 0.113 nan 8.280 nan 0.000 0.465 82 S N 5.070 120.759 115.700 -0.018 0.000 4.117 82 S HA 0.199 4.669 4.470 0.000 0.000 0.191 82 S C 0.426 174.842 174.600 -0.308 0.000 1.308 82 S CA -0.548 57.533 58.200 -0.197 0.000 0.906 82 S CB -0.719 62.299 63.200 -0.302 0.000 1.565 82 S HN 0.465 nan 8.310 nan 0.000 0.439 83 L N 1.796 122.921 121.223 -0.163 0.000 2.439 83 L HA 0.297 4.637 4.340 0.000 0.000 0.269 83 L C -0.078 176.639 176.870 -0.255 0.000 1.179 83 L CA -0.380 54.368 54.840 -0.154 0.000 0.828 83 L CB 0.147 42.201 42.059 -0.008 0.000 1.106 83 L HN 0.353 nan 8.230 nan 0.000 0.467 84 F N 3.557 123.451 119.950 -0.092 0.000 2.438 84 F HA 0.184 4.711 4.527 0.000 0.000 0.360 84 F C -1.026 174.730 175.800 -0.073 0.000 1.118 84 F CA -1.756 56.182 58.000 -0.104 0.000 1.164 84 F CB 0.102 38.927 39.000 -0.292 0.000 1.131 84 F HN 0.389 nan 8.300 nan 0.000 0.527 85 P HA -0.190 nan 4.420 nan 0.000 0.228 85 P C 0.479 177.884 177.300 0.175 0.000 1.151 85 P CA 1.406 64.589 63.100 0.139 0.000 0.770 85 P CB -0.121 31.643 31.700 0.107 0.000 0.786 86 H N -1.442 117.667 119.070 0.065 0.000 2.524 86 H HA 0.584 5.140 4.556 0.000 0.000 0.297 86 H C -0.131 175.222 175.328 0.041 0.000 1.115 86 H CA -0.675 55.400 56.048 0.044 0.000 1.027 86 H CB -0.711 29.075 29.762 0.040 0.000 1.591 86 H HN 0.115 nan 8.280 nan 0.000 0.543 87 M N 1.841 121.360 119.600 -0.134 0.000 2.274 87 M HA 0.124 4.604 4.480 0.000 0.000 0.272 87 M C -0.960 175.310 176.300 -0.049 0.000 1.053 87 M CA -0.774 54.448 55.300 -0.130 0.000 0.978 87 M CB 2.475 34.936 32.600 -0.231 0.000 1.836 87 M HN 0.200 nan 8.290 nan 0.000 0.484 88 N N 1.549 120.233 118.700 -0.027 0.000 2.395 88 N HA 0.162 4.902 4.740 0.000 0.000 0.246 88 N C 0.663 176.164 175.510 -0.014 0.000 1.246 88 N CA -0.485 52.555 53.050 -0.016 0.000 0.879 88 N CB 0.604 39.083 38.487 -0.013 0.000 1.098 88 N HN 0.432 nan 8.380 nan 0.000 0.444 89 V N 1.171 121.076 119.914 -0.014 0.000 2.243 89 V HA -0.432 3.688 4.120 0.000 0.000 0.258 89 V C 2.565 178.661 176.094 0.004 0.000 1.073 89 V CA 2.715 65.010 62.300 -0.008 0.000 1.069 89 V CB -1.033 30.773 31.823 -0.029 0.000 0.681 89 V HN 0.968 nan 8.190 nan 0.000 0.457 90 K N -0.183 120.217 120.400 -0.001 0.000 2.032 90 K HA -0.321 3.999 4.320 0.000 0.000 0.218 90 K C 2.230 178.838 176.600 0.013 0.000 1.054 90 K CA 2.490 58.782 56.287 0.008 0.000 0.941 90 K CB -0.304 32.198 32.500 0.003 0.000 0.720 90 K HN 0.481 nan 8.250 nan 0.000 0.449 91 K N 0.313 120.713 120.400 0.001 0.000 2.127 91 K HA -0.174 4.146 4.320 0.000 0.000 0.208 91 K C 2.062 178.667 176.600 0.008 0.000 1.047 91 K CA 1.738 58.022 56.287 -0.005 0.000 0.927 91 K CB -0.217 32.262 32.500 -0.034 0.000 0.716 91 K HN 0.337 nan 8.250 nan 0.000 0.450 92 N N 0.856 119.563 118.700 0.011 0.000 2.039 92 N HA -0.150 4.590 4.740 0.000 0.000 0.193 92 N C 1.971 177.544 175.510 0.106 0.000 1.044 92 N CA 1.235 54.314 53.050 0.048 0.000 0.847 92 N CB -0.232 38.315 38.487 0.098 0.000 1.030 92 N HN 0.084 nan 8.380 nan 0.000 0.422 93 L N 1.956 123.230 121.223 0.084 0.000 2.010 93 L HA -0.243 4.097 4.340 0.000 0.000 0.219 93 L C 2.422 179.347 176.870 0.092 0.000 1.077 93 L CA 1.439 56.331 54.840 0.087 0.000 0.773 93 L CB -0.684 41.408 42.059 0.055 0.000 0.892 93 L HN 0.241 nan 8.230 nan 0.000 0.436 94 E N -0.214 120.026 120.200 0.068 0.000 2.049 94 E HA -0.298 4.052 4.350 0.000 0.000 0.198 94 E C 2.047 178.677 176.600 0.049 0.000 1.007 94 E CA 1.727 58.153 56.400 0.043 0.000 0.809 94 E CB -0.621 29.093 29.700 0.023 0.000 0.749 94 E HN 0.370 nan 8.360 nan 0.000 0.450 95 F N 1.651 121.553 119.950 -0.082 0.000 2.064 95 F HA -0.337 4.190 4.527 0.000 0.000 0.292 95 F C 2.432 178.195 175.800 -0.061 0.000 1.107 95 F CA 2.479 60.407 58.000 -0.121 0.000 1.243 95 F CB -0.983 37.878 39.000 -0.232 0.000 0.949 95 F HN 0.093 nan 8.300 nan 0.000 0.506 96 G N 0.090 108.968 108.800 0.129 0.000 2.505 96 G HA2 -0.321 3.639 3.960 0.000 0.000 0.220 96 G HA3 -0.321 3.639 3.960 0.000 0.000 0.220 96 G C 1.539 176.400 174.900 -0.064 0.000 1.145 96 G CA 1.353 46.483 45.100 0.049 0.000 0.761 96 G HN 0.346 nan 8.290 nan 0.000 0.571 97 M N 0.280 119.853 119.600 -0.044 0.000 2.126 97 M HA -0.036 4.444 4.480 0.000 0.000 0.259 97 M C 2.679 178.915 176.300 -0.107 0.000 1.073 97 M CA 1.471 56.739 55.300 -0.054 0.000 1.103 97 M CB -1.367 31.216 32.600 -0.029 0.000 1.284 97 M HN 0.207 nan 8.290 nan 0.000 0.420 98 R N -0.422 119.993 120.500 -0.141 0.000 2.174 98 R HA -0.187 4.153 4.340 0.000 0.000 0.253 98 R C 2.150 178.318 176.300 -0.221 0.000 1.165 98 R CA 1.387 57.385 56.100 -0.170 0.000 0.984 98 R CB -0.399 29.784 30.300 -0.195 0.000 0.873 98 R HN 0.371 nan 8.270 nan 0.000 0.456 99 M N 0.509 119.918 119.600 -0.320 0.000 2.132 99 M HA -0.120 4.360 4.480 0.000 0.000 0.263 99 M C 1.423 177.632 176.300 -0.151 0.000 1.065 99 M CA 1.720 56.840 55.300 -0.301 0.000 1.122 99 M CB -0.355 32.004 32.600 -0.401 0.000 1.365 99 M HN 0.039 nan 8.290 nan 0.000 0.411 100 K N 0.174 120.510 120.400 -0.107 0.000 2.397 100 K HA 0.075 4.395 4.320 0.000 0.000 0.202 100 K C -0.391 176.177 176.600 -0.052 0.000 1.022 100 K CA -0.189 56.062 56.287 -0.061 0.000 1.141 100 K CB 0.535 33.014 32.500 -0.035 0.000 0.857 100 K HN 0.039 nan 8.250 nan 0.000 0.514 101 K N 1.152 121.512 120.400 -0.066 0.000 4.868 101 K HA -0.178 4.142 4.320 0.000 0.000 0.324 101 K C -0.594 175.984 176.600 -0.037 0.000 0.971 101 K CA 0.855 57.111 56.287 -0.052 0.000 1.034 101 K CB -1.714 30.761 32.500 -0.043 0.000 1.672 101 K HN 0.322 nan 8.250 nan 0.000 0.426 102 I N 0.436 120.985 120.570 -0.036 0.000 2.957 102 I HA 0.277 4.447 4.170 0.000 0.000 0.310 102 I C 1.412 177.517 176.117 -0.020 0.000 1.063 102 I CA -0.981 60.305 61.300 -0.023 0.000 1.033 102 I CB 1.973 39.963 38.000 -0.017 0.000 1.230 102 I HN 0.146 nan 8.210 nan 0.000 0.447 103 K N 0.088 120.481 120.400 -0.013 0.000 2.273 103 K HA 0.088 4.408 4.320 0.000 0.000 0.206 103 K C 0.004 176.600 176.600 -0.006 0.000 1.072 103 K CA -0.108 56.173 56.287 -0.010 0.000 0.953 103 K CB 0.122 32.617 32.500 -0.008 0.000 1.043 103 K HN 0.479 nan 8.250 nan 0.000 0.477 104 D N 2.886 123.284 120.400 -0.002 0.000 2.660 104 D HA -0.052 4.588 4.640 0.000 0.000 0.253 104 D C -1.942 174.360 176.300 0.004 0.000 1.256 104 D CA -0.403 53.598 54.000 0.002 0.000 0.914 104 D CB 0.936 41.739 40.800 0.004 0.000 1.137 104 D HN 0.012 nan 8.370 nan 0.000 0.542 105 P HA 0.029 nan 4.420 nan 0.000 0.240 105 P C 1.224 178.530 177.300 0.010 0.000 1.190 105 P CA 0.294 63.398 63.100 0.006 0.000 0.781 105 P CB 0.513 32.216 31.700 0.005 0.000 0.931 106 K N 0.000 120.406 120.400 0.009 0.000 1.985 106 K HA -0.151 4.169 4.320 0.000 0.000 0.210 106 K C 2.216 178.824 176.600 0.014 0.000 1.047 106 K CA 1.251 57.545 56.287 0.011 0.000 0.932 106 K CB -0.255 32.251 32.500 0.010 0.000 0.716 106 K HN -0.164 nan 8.250 nan 0.000 0.439 107 R N 1.159 121.667 120.500 0.014 0.000 2.140 107 R HA -0.176 4.164 4.340 0.000 0.000 0.250 107 R C 1.963 178.276 176.300 0.022 0.000 1.150 107 R CA 1.646 57.757 56.100 0.018 0.000 0.966 107 R CB -0.834 29.477 30.300 0.018 0.000 0.869 107 R HN 0.058 nan 8.270 nan 0.000 0.445 108 V N 0.217 120.144 119.914 0.021 0.000 2.270 108 V HA -0.196 3.924 4.120 0.000 0.000 0.245 108 V C 2.344 178.452 176.094 0.024 0.000 1.043 108 V CA 1.932 64.246 62.300 0.024 0.000 1.014 108 V CB -0.494 31.341 31.823 0.020 0.000 0.645 108 V HN 0.279 nan 8.190 nan 0.000 0.447 109 L N -0.058 121.177 121.223 0.020 0.000 2.141 109 L HA -0.148 4.192 4.340 0.000 0.000 0.209 109 L C 2.335 179.219 176.870 0.024 0.000 1.094 109 L CA 1.336 56.188 54.840 0.021 0.000 0.763 109 L CB -0.721 41.349 42.059 0.018 0.000 0.908 109 L HN 0.368 nan 8.230 nan 0.000 0.437 110 D N -0.670 119.743 120.400 0.022 0.000 2.123 110 D HA -0.122 4.518 4.640 0.000 0.000 0.200 110 D C 2.186 178.502 176.300 0.028 0.000 0.976 110 D CA 1.467 55.481 54.000 0.023 0.000 0.831 110 D CB -0.194 40.618 40.800 0.021 0.000 0.974 110 D HN 0.212 nan 8.370 nan 0.000 0.469 111 T N 0.997 115.569 114.554 0.030 0.000 2.746 111 T HA -0.105 4.245 4.350 0.000 0.000 0.267 111 T C 2.048 176.770 174.700 0.036 0.000 1.039 111 T CA 1.450 63.571 62.100 0.035 0.000 1.142 111 T CB -0.264 68.627 68.868 0.038 0.000 0.866 111 T HN 0.184 nan 8.240 nan 0.000 0.444 112 A N 1.673 124.514 122.820 0.034 0.000 1.978 112 A HA -0.145 4.175 4.320 0.000 0.000 0.220 112 A C 2.374 179.984 177.584 0.043 0.000 1.170 112 A CA 1.444 53.503 52.037 0.036 0.000 0.636 112 A CB -0.432 18.587 19.000 0.033 0.000 0.810 112 A HN 0.432 nan 8.150 nan 0.000 0.448 113 R N -0.452 120.071 120.500 0.038 0.000 2.055 113 R HA -0.070 4.270 4.340 0.000 0.000 0.228 113 R C 1.685 178.007 176.300 0.036 0.000 1.143 113 R CA 1.196 57.318 56.100 0.037 0.000 0.945 113 R CB -0.508 29.809 30.300 0.028 0.000 0.841 113 R HN 0.435 nan 8.270 nan 0.000 0.429 114 D N 0.883 121.303 120.400 0.034 0.000 2.220 114 D HA -0.191 4.449 4.640 0.000 0.000 0.198 114 D C 1.389 177.711 176.300 0.038 0.000 1.001 114 D CA 1.322 55.342 54.000 0.034 0.000 0.875 114 D CB 0.068 40.890 40.800 0.036 0.000 0.921 114 D HN 0.252 nan 8.370 nan 0.000 0.454 115 L N -0.254 120.993 121.223 0.040 0.000 2.769 115 L HA 0.144 4.484 4.340 0.000 0.000 0.240 115 L C 0.212 177.113 176.870 0.051 0.000 1.163 115 L CA -0.146 54.718 54.840 0.041 0.000 0.962 115 L CB 0.152 42.233 42.059 0.036 0.000 1.258 115 L HN -0.125 nan 8.230 nan 0.000 0.513 116 K N 0.726 121.160 120.400 0.056 0.000 3.077 116 K HA -0.195 4.125 4.320 0.000 0.000 0.264 116 K C 0.630 177.331 176.600 0.168 0.000 1.008 116 K CA 0.587 56.921 56.287 0.077 0.000 0.740 116 K CB -1.495 31.032 32.500 0.045 0.000 1.273 116 K HN 0.465 nan 8.250 nan 0.000 0.477 117 I N -2.269 118.382 120.570 0.136 0.000 4.018 117 I HA -0.003 4.167 4.170 0.000 0.000 0.337 117 I C 1.713 177.895 176.117 0.107 0.000 1.327 117 I CA -0.431 60.934 61.300 0.109 0.000 1.100 117 I CB 0.039 38.046 38.000 0.012 0.000 1.025 117 I HN 0.131 nan 8.210 nan 0.000 0.396 118 E N 2.106 122.396 120.200 0.151 0.000 2.136 118 E HA -0.333 4.017 4.350 0.000 0.000 0.208 118 E C 1.823 178.495 176.600 0.119 0.000 1.035 118 E CA 2.586 59.052 56.400 0.110 0.000 0.838 118 E CB -0.539 29.219 29.700 0.097 0.000 0.748 118 E HN 0.820 nan 8.360 nan 0.000 0.459 119 H N -0.777 118.292 119.070 -0.000 0.000 2.521 119 H HA 0.027 4.583 4.556 0.000 0.000 0.286 119 H C 1.760 177.087 175.328 -0.002 0.000 1.034 119 H CA 0.678 56.725 56.048 -0.001 0.000 1.278 119 H CB -0.050 29.710 29.762 -0.002 0.000 1.386 119 H HN 0.125 nan 8.280 nan 0.000 0.567 120 L N -0.142 120.838 121.223 -0.406 0.000 2.638 120 L HA 0.092 4.432 4.340 0.000 0.000 0.232 120 L C 1.757 178.542 176.870 -0.142 0.000 1.099 120 L CA -0.134 54.508 54.840 -0.330 0.000 0.883 120 L CB 0.075 41.885 42.059 -0.416 0.000 1.136 120 L HN 0.205 nan 8.230 nan 0.000 0.492 121 L N 0.932 122.103 121.223 -0.086 0.000 2.256 121 L HA -0.319 4.021 4.340 0.000 0.000 0.218 121 L C 1.663 178.515 176.870 -0.030 0.000 1.089 121 L CA 2.087 56.904 54.840 -0.037 0.000 0.777 121 L CB -0.346 41.708 42.059 -0.008 0.000 0.890 121 L HN 0.268 nan 8.230 nan 0.000 0.439 122 D N -1.989 118.390 120.400 -0.035 0.000 2.380 122 D HA 0.052 4.692 4.640 0.000 0.000 0.212 122 D C 0.970 177.254 176.300 -0.027 0.000 1.021 122 D CA 0.105 54.091 54.000 -0.023 0.000 0.884 122 D CB 0.304 41.096 40.800 -0.014 0.000 1.001 122 D HN 0.259 nan 8.370 nan 0.000 0.506 123 R N 0.501 120.974 120.500 -0.044 0.000 2.863 123 R HA 0.199 4.539 4.340 0.000 0.000 0.273 123 R C -0.100 176.182 176.300 -0.030 0.000 1.057 123 R CA -0.065 56.012 56.100 -0.039 0.000 1.191 123 R CB 0.262 30.526 30.300 -0.059 0.000 1.104 123 R HN 0.074 nan 8.270 nan 0.000 0.519 124 N N 1.868 120.556 118.700 -0.020 0.000 2.422 124 N HA 0.107 4.847 4.740 0.000 0.000 0.266 124 N C -1.943 173.561 175.510 -0.010 0.000 1.007 124 N CA -1.606 51.438 53.050 -0.009 0.000 0.941 124 N CB 1.513 40.001 38.487 0.002 0.000 1.115 124 N HN 0.297 nan 8.380 nan 0.000 0.492 125 P HA -0.239 nan 4.420 nan 0.000 0.228 125 P C 1.235 178.532 177.300 -0.005 0.000 1.153 125 P CA 1.295 64.391 63.100 -0.006 0.000 0.897 125 P CB 0.356 32.062 31.700 0.010 0.000 0.782 126 L N -2.000 119.224 121.223 0.001 0.000 2.395 126 L HA -0.036 4.304 4.340 0.000 0.000 0.218 126 L C 1.841 178.709 176.870 -0.004 0.000 1.130 126 L CA 1.602 56.444 54.840 0.002 0.000 0.826 126 L CB -0.822 41.241 42.059 0.006 0.000 0.941 126 L HN 0.146 nan 8.230 nan 0.000 0.451 127 T N -2.909 111.639 114.554 -0.011 0.000 3.107 127 T HA 0.214 4.564 4.350 0.000 0.000 0.249 127 T C 0.689 175.375 174.700 -0.023 0.000 1.096 127 T CA -0.144 61.947 62.100 -0.014 0.000 1.012 127 T CB -0.155 68.704 68.868 -0.015 0.000 0.977 127 T HN 0.012 nan 8.240 nan 0.000 0.527 128 L N 2.706 123.910 121.223 -0.031 0.000 2.375 128 L HA 0.492 4.832 4.340 0.000 0.000 0.271 128 L C 0.924 177.770 176.870 -0.041 0.000 1.107 128 L CA -0.934 53.877 54.840 -0.049 0.000 0.806 128 L CB 1.030 43.046 42.059 -0.071 0.000 1.146 128 L HN 0.252 nan 8.230 nan 0.000 0.447 129 S N 0.789 116.461 115.700 -0.047 0.000 2.681 129 S HA 0.348 4.818 4.470 0.000 0.000 0.270 129 S C 1.178 175.732 174.600 -0.076 0.000 1.209 129 S CA -0.228 57.951 58.200 -0.036 0.000 0.988 129 S CB 1.335 64.522 63.200 -0.022 0.000 1.006 129 S HN 0.781 nan 8.310 nan 0.000 0.558 130 G N 1.067 109.844 108.800 -0.038 0.000 2.764 130 G HA2 -0.202 3.758 3.960 0.000 0.000 0.219 130 G HA3 -0.202 3.758 3.960 0.000 0.000 0.219 130 G C 1.446 176.167 174.900 -0.298 0.000 1.259 130 G CA 1.102 46.160 45.100 -0.071 0.000 0.793 130 G HN 1.168 nan 8.290 nan 0.000 0.633 131 G N 0.462 109.166 108.800 -0.159 0.000 2.529 131 G HA2 -0.227 3.733 3.960 0.000 0.000 0.219 131 G HA3 -0.227 3.733 3.960 0.000 0.000 0.219 131 G C 1.640 176.422 174.900 -0.197 0.000 1.177 131 G CA 1.398 46.401 45.100 -0.162 0.000 0.773 131 G HN 0.588 nan 8.290 nan 0.000 0.573 132 E N 0.076 120.192 120.200 -0.140 0.000 2.086 132 E HA -0.243 4.107 4.350 0.000 0.000 0.200 132 E C 2.669 179.157 176.600 -0.187 0.000 1.012 132 E CA 1.462 57.788 56.400 -0.123 0.000 0.812 132 E CB -0.206 29.438 29.700 -0.094 0.000 0.743 132 E HN 0.574 nan 8.360 nan 0.000 0.453 133 Q N 0.386 120.019 119.800 -0.279 0.000 2.020 133 Q HA -0.233 4.107 4.340 0.000 0.000 0.202 133 Q C 2.355 178.063 176.000 -0.486 0.000 0.982 133 Q CA 1.430 57.029 55.803 -0.340 0.000 0.838 133 Q CB -0.213 28.313 28.738 -0.354 0.000 0.899 133 Q HN 0.308 nan 8.270 nan 0.000 0.423 134 Q N 0.543 119.799 119.800 -0.907 0.000 2.133 134 Q HA -0.231 4.109 4.340 0.000 0.000 0.208 134 Q C 2.067 177.953 176.000 -0.189 0.000 0.991 134 Q CA 1.417 56.843 55.803 -0.628 0.000 0.867 134 Q CB 0.116 28.561 28.738 -0.487 0.000 0.911 134 Q HN 0.222 nan 8.270 nan 0.000 0.417 135 R N -0.401 120.005 120.500 -0.157 0.000 2.070 135 R HA -0.111 4.229 4.340 0.000 0.000 0.232 135 R C 2.403 178.684 176.300 -0.033 0.000 1.138 135 R CA 1.551 57.616 56.100 -0.058 0.000 0.936 135 R CB -1.009 29.267 30.300 -0.040 0.000 0.839 135 R HN 0.210 nan 8.270 nan 0.000 0.429 136 V N 1.869 121.751 119.914 -0.053 0.000 2.317 136 V HA -0.322 3.798 4.120 0.000 0.000 0.251 136 V C 2.631 178.736 176.094 0.018 0.000 1.065 136 V CA 2.033 64.321 62.300 -0.019 0.000 1.049 136 V CB -0.984 30.816 31.823 -0.038 0.000 0.651 136 V HN 0.423 nan 8.190 nan 0.000 0.450 137 A N -0.132 122.694 122.820 0.009 0.000 1.834 137 A HA -0.216 4.104 4.320 0.000 0.000 0.216 137 A C 2.200 179.831 177.584 0.079 0.000 1.203 137 A CA 2.198 54.278 52.037 0.071 0.000 0.621 137 A CB -0.781 18.287 19.000 0.114 0.000 0.841 137 A HN 0.469 nan 8.150 nan 0.000 0.446 138 L N -0.657 120.600 121.223 0.057 0.000 2.081 138 L HA -0.282 4.058 4.340 0.000 0.000 0.212 138 L C 3.064 179.971 176.870 0.062 0.000 1.080 138 L CA 1.110 55.984 54.840 0.057 0.000 0.754 138 L CB -0.631 41.454 42.059 0.042 0.000 0.893 138 L HN 0.516 nan 8.230 nan 0.000 0.433 139 A N 1.277 124.129 122.820 0.053 0.000 1.842 139 A HA -0.280 4.040 4.320 0.000 0.000 0.217 139 A C 2.326 179.955 177.584 0.075 0.000 1.206 139 A CA 2.297 54.367 52.037 0.055 0.000 0.630 139 A CB -0.738 18.288 19.000 0.043 0.000 0.839 139 A HN 0.551 nan 8.150 nan 0.000 0.447 140 R N -0.428 120.128 120.500 0.094 0.000 2.148 140 R HA 0.129 4.469 4.340 0.000 0.000 0.227 140 R C 2.018 178.405 176.300 0.144 0.000 1.103 140 R CA 1.504 57.681 56.100 0.127 0.000 0.983 140 R CB -0.602 29.798 30.300 0.167 0.000 0.874 140 R HN 0.344 nan 8.270 nan 0.000 0.451 141 A N 1.387 124.290 122.820 0.137 0.000 2.015 141 A HA 0.049 4.369 4.320 0.000 0.000 0.219 141 A C 1.868 179.520 177.584 0.113 0.000 1.163 141 A CA 0.817 52.940 52.037 0.143 0.000 0.646 141 A CB -0.122 18.956 19.000 0.131 0.000 0.806 141 A HN 0.350 nan 8.150 nan 0.000 0.448 142 L N -0.385 120.893 121.223 0.091 0.000 2.818 142 L HA 0.132 4.472 4.340 0.000 0.000 0.243 142 L C 1.234 178.143 176.870 0.065 0.000 1.185 142 L CA -0.267 54.617 54.840 0.073 0.000 0.988 142 L CB 0.790 42.887 42.059 0.063 0.000 1.292 142 L HN 0.142 nan 8.230 nan 0.000 0.519 143 V N -0.950 119.007 119.914 0.072 0.000 2.649 143 V HA -0.140 3.980 4.120 0.000 0.000 0.248 143 V C 2.213 178.336 176.094 0.049 0.000 1.054 143 V CA 1.733 64.068 62.300 0.058 0.000 1.073 143 V CB -0.115 31.745 31.823 0.062 0.000 0.699 143 V HN 0.432 nan 8.190 nan 0.000 0.463 144 T N 0.254 114.842 114.554 0.056 0.000 3.163 144 T HA -0.053 4.297 4.350 0.000 0.000 0.260 144 T C 0.959 175.682 174.700 0.040 0.000 1.156 144 T CA 0.676 62.802 62.100 0.044 0.000 1.072 144 T CB -0.608 68.292 68.868 0.052 0.000 0.937 144 T HN 0.513 nan 8.240 nan 0.000 0.528 145 N N 2.008 120.735 118.700 0.044 0.000 2.650 145 N HA -0.111 4.629 4.740 0.000 0.000 0.272 145 N C -2.871 172.663 175.510 0.039 0.000 1.058 145 N CA 0.118 53.192 53.050 0.040 0.000 0.765 145 N CB -0.385 38.121 38.487 0.032 0.000 0.902 145 N HN 0.255 nan 8.380 nan 0.000 0.551 146 P HA 0.304 nan 4.420 nan 0.000 0.297 146 P C 0.629 177.954 177.300 0.042 0.000 1.307 146 P CA -0.417 62.709 63.100 0.044 0.000 0.773 146 P CB 0.703 32.435 31.700 0.054 0.000 1.265 147 K N -0.826 119.598 120.400 0.040 0.000 2.350 147 K HA 0.292 4.612 4.320 0.000 0.000 0.196 147 K C 0.447 177.074 176.600 0.044 0.000 1.084 147 K CA 0.261 56.572 56.287 0.040 0.000 0.967 147 K CB 0.248 32.768 32.500 0.034 0.000 0.950 147 K HN 0.285 nan 8.250 nan 0.000 0.512 148 I N 2.820 123.415 120.570 0.043 0.000 2.312 148 I HA 0.096 4.266 4.170 0.000 0.000 0.291 148 I C -0.943 175.198 176.117 0.041 0.000 1.031 148 I CA -0.726 60.599 61.300 0.041 0.000 1.293 148 I CB 1.019 39.047 38.000 0.046 0.000 1.403 148 I HN -0.028 nan 8.210 nan 0.000 0.484 149 L N 8.889 130.120 121.223 0.013 0.000 2.301 149 L HA 0.447 4.787 4.340 0.000 0.000 0.278 149 L C -0.822 176.020 176.870 -0.047 0.000 1.022 149 L CA -0.133 54.703 54.840 -0.008 0.000 0.854 149 L CB 0.754 42.795 42.059 -0.030 0.000 1.226 149 L HN 0.429 nan 8.230 nan 0.000 0.429 150 L N 6.387 127.604 121.223 -0.009 0.000 2.278 150 L HA 0.441 4.781 4.340 0.000 0.000 0.287 150 L C -0.621 176.095 176.870 -0.257 0.000 1.072 150 L CA -0.187 54.621 54.840 -0.052 0.000 0.819 150 L CB 0.758 42.897 42.059 0.132 0.000 1.176 150 L HN 0.553 nan 8.230 nan 0.000 0.435 151 L N 3.588 124.644 121.223 -0.277 0.000 2.354 151 L HA 0.595 4.935 4.340 0.000 0.000 0.269 151 L C -0.761 175.881 176.870 -0.381 0.000 1.005 151 L CA -0.782 53.833 54.840 -0.374 0.000 0.819 151 L CB 2.381 44.233 42.059 -0.345 0.000 1.311 151 L HN 0.554 nan 8.230 nan 0.000 0.423 152 D N 2.335 122.503 120.400 -0.386 0.000 2.787 152 D HA 0.119 4.759 4.640 0.000 0.000 0.246 152 D C -0.298 175.889 176.300 -0.188 0.000 1.150 152 D CA -0.329 53.516 54.000 -0.257 0.000 0.864 152 D CB 1.969 42.620 40.800 -0.248 0.000 1.481 152 D HN 0.525 nan 8.370 nan 0.000 0.509 153 E N 1.835 121.978 120.200 -0.095 0.000 2.103 153 E HA -0.169 4.181 4.350 0.000 0.000 0.186 153 E C -1.715 174.861 176.600 -0.040 0.000 1.392 153 E CA 0.274 56.667 56.400 -0.011 0.000 0.691 153 E CB -0.844 28.870 29.700 0.024 0.000 1.068 153 E HN 0.545 nan 8.360 nan 0.000 0.328 154 P HA -0.037 nan 4.420 nan 0.000 0.231 154 P C 1.381 178.722 177.300 0.068 0.000 1.168 154 P CA 0.661 63.751 63.100 -0.017 0.000 0.779 154 P CB 0.283 31.933 31.700 -0.084 0.000 0.844 155 L N -1.170 120.104 121.223 0.085 0.000 2.488 155 L HA 0.052 4.392 4.340 0.000 0.000 0.186 155 L C 2.389 179.289 176.870 0.049 0.000 1.124 155 L CA 1.010 55.897 54.840 0.078 0.000 0.838 155 L CB -1.469 40.642 42.059 0.087 0.000 1.107 155 L HN -0.095 nan 8.230 nan 0.000 0.494 156 S N 1.320 117.041 115.700 0.036 0.000 2.448 156 S HA -0.252 4.218 4.470 0.000 0.000 0.247 156 S C 1.465 176.093 174.600 0.047 0.000 1.033 156 S CA 1.291 59.505 58.200 0.022 0.000 1.003 156 S CB -0.586 62.629 63.200 0.024 0.000 0.786 156 S HN 0.387 nan 8.310 nan 0.000 0.495 157 A N 0.598 123.449 122.820 0.051 0.000 2.684 157 A HA 0.691 5.011 4.320 0.000 0.000 0.288 157 A C 0.251 177.867 177.584 0.054 0.000 1.337 157 A CA -0.619 51.444 52.037 0.044 0.000 0.946 157 A CB -0.169 18.844 19.000 0.021 0.000 1.093 157 A HN 0.519 nan 8.150 nan 0.000 0.543 158 L N -0.807 120.446 121.223 0.049 0.000 2.279 158 L HA 0.421 4.761 4.340 0.000 0.000 0.262 158 L C -0.835 176.052 176.870 0.027 0.000 1.019 158 L CA -1.327 53.544 54.840 0.051 0.000 0.823 158 L CB 1.346 43.439 42.059 0.058 0.000 1.358 158 L HN 0.080 nan 8.230 nan 0.000 0.432 159 D N 1.369 121.782 120.400 0.023 0.000 2.424 159 D HA 0.072 4.712 4.640 0.000 0.000 0.244 159 D C -1.692 174.610 176.300 0.004 0.000 1.134 159 D CA -1.192 52.814 54.000 0.010 0.000 0.881 159 D CB 1.202 42.008 40.800 0.009 0.000 1.191 159 D HN 0.214 nan 8.370 nan 0.000 0.445 160 P HA -0.178 nan 4.420 nan 0.000 0.217 160 P C 1.182 178.479 177.300 -0.006 0.000 1.148 160 P CA 1.264 64.358 63.100 -0.010 0.000 0.834 160 P CB 0.227 31.918 31.700 -0.015 0.000 0.783 161 R N -1.058 119.441 120.500 -0.002 0.000 2.170 161 R HA -0.106 4.234 4.340 0.000 0.000 0.242 161 R C 1.764 178.064 176.300 0.001 0.000 1.145 161 R CA 1.982 58.082 56.100 -0.000 0.000 0.984 161 R CB -1.200 29.101 30.300 0.001 0.000 0.869 161 R HN 0.381 nan 8.270 nan 0.000 0.455 162 T N -1.370 113.186 114.554 0.003 0.000 3.034 162 T HA 0.042 4.392 4.350 0.000 0.000 0.248 162 T C 1.677 176.381 174.700 0.006 0.000 1.040 162 T CA -0.137 61.967 62.100 0.006 0.000 1.107 162 T CB 0.093 68.967 68.868 0.010 0.000 0.932 162 T HN 0.174 nan 8.240 nan 0.000 0.474 163 Q N 1.464 121.266 119.800 0.002 0.000 2.082 163 Q HA -0.273 4.067 4.340 0.000 0.000 0.211 163 Q C 2.278 178.271 176.000 -0.011 0.000 1.002 163 Q CA 2.163 57.964 55.803 -0.003 0.000 0.868 163 Q CB -0.269 28.458 28.738 -0.018 0.000 0.931 163 Q HN 0.695 nan 8.270 nan 0.000 0.414 164 E N 0.701 120.891 120.200 -0.016 0.000 2.021 164 E HA -0.241 4.109 4.350 0.000 0.000 0.200 164 E C 1.832 178.430 176.600 -0.004 0.000 1.015 164 E CA 1.491 57.880 56.400 -0.017 0.000 0.824 164 E CB 0.012 29.702 29.700 -0.017 0.000 0.762 164 E HN 0.332 nan 8.360 nan 0.000 0.454 165 N N 0.530 119.231 118.700 0.002 0.000 2.043 165 N HA -0.239 4.501 4.740 0.000 0.000 0.193 165 N C 1.906 177.426 175.510 0.017 0.000 1.037 165 N CA 1.405 54.460 53.050 0.009 0.000 0.851 165 N CB -0.639 37.853 38.487 0.008 0.000 1.027 165 N HN 0.297 nan 8.380 nan 0.000 0.422 166 A N 2.349 125.180 122.820 0.018 0.000 1.881 166 A HA -0.250 4.070 4.320 0.000 0.000 0.219 166 A C 2.282 179.891 177.584 0.042 0.000 1.215 166 A CA 1.850 53.906 52.037 0.031 0.000 0.648 166 A CB -0.806 18.214 19.000 0.034 0.000 0.832 166 A HN 0.320 nan 8.150 nan 0.000 0.455 167 R N -0.910 119.605 120.500 0.025 0.000 2.096 167 R HA -0.207 4.133 4.340 0.000 0.000 0.240 167 R C 2.392 178.710 176.300 0.030 0.000 1.139 167 R CA 1.721 57.831 56.100 0.016 0.000 0.952 167 R CB -0.430 29.852 30.300 -0.029 0.000 0.854 167 R HN 0.857 nan 8.270 nan 0.000 0.436 168 E N 1.102 121.319 120.200 0.028 0.000 2.005 168 E HA -0.278 4.072 4.350 0.000 0.000 0.198 168 E C 2.069 178.705 176.600 0.060 0.000 1.010 168 E CA 1.614 58.038 56.400 0.039 0.000 0.825 168 E CB -0.165 29.552 29.700 0.029 0.000 0.769 168 E HN 0.209 nan 8.360 nan 0.000 0.456 169 M N 0.618 120.250 119.600 0.054 0.000 2.152 169 M HA -0.313 4.167 4.480 0.000 0.000 0.251 169 M C 2.013 178.368 176.300 0.092 0.000 1.080 169 M CA 1.927 57.265 55.300 0.062 0.000 1.079 169 M CB -0.330 32.300 32.600 0.051 0.000 1.317 169 M HN 0.271 nan 8.290 nan 0.000 0.404 170 L N -0.951 120.341 121.223 0.114 0.000 1.988 170 L HA -0.181 4.159 4.340 0.000 0.000 0.207 170 L C 2.730 179.741 176.870 0.235 0.000 1.071 170 L CA 1.584 56.531 54.840 0.179 0.000 0.744 170 L CB -1.046 41.145 42.059 0.219 0.000 0.893 170 L HN 0.444 nan 8.230 nan 0.000 0.433 171 S N -0.256 115.555 115.700 0.185 0.000 2.372 171 S HA -0.209 4.261 4.470 0.000 0.000 0.227 171 S C 2.002 176.732 174.600 0.215 0.000 1.044 171 S CA 1.657 59.979 58.200 0.203 0.000 1.050 171 S CB -0.253 63.007 63.200 0.100 0.000 0.901 171 S HN 0.178 nan 8.310 nan 0.000 0.447 172 V N 2.205 122.203 119.914 0.141 0.000 2.231 172 V HA -0.206 3.914 4.120 0.000 0.000 0.248 172 V C 2.392 178.559 176.094 0.122 0.000 1.054 172 V CA 2.208 64.572 62.300 0.107 0.000 1.015 172 V CB -0.692 31.176 31.823 0.075 0.000 0.638 172 V HN 0.523 nan 8.190 nan 0.000 0.444 173 L N -0.654 120.650 121.223 0.135 0.000 2.127 173 L HA -0.274 4.066 4.340 0.000 0.000 0.211 173 L C 2.494 179.470 176.870 0.177 0.000 1.089 173 L CA 2.166 57.083 54.840 0.129 0.000 0.757 173 L CB -1.074 41.056 42.059 0.118 0.000 0.899 173 L HN 0.567 nan 8.230 nan 0.000 0.434 174 H N 0.636 119.781 119.070 0.124 0.000 2.319 174 H HA -0.189 4.367 4.556 0.000 0.000 0.297 174 H C 2.048 177.438 175.328 0.103 0.000 1.097 174 H CA 1.538 57.671 56.048 0.141 0.000 1.285 174 H CB 0.417 30.341 29.762 0.269 0.000 1.368 174 H HN 0.189 nan 8.280 nan 0.000 0.495 175 K N 1.004 121.395 120.400 -0.014 0.000 2.017 175 K HA -0.018 4.302 4.320 0.000 0.000 0.207 175 K C 2.063 178.649 176.600 -0.024 0.000 1.035 175 K CA 0.603 56.831 56.287 -0.099 0.000 0.947 175 K CB -0.528 31.939 32.500 -0.055 0.000 0.749 175 K HN 0.232 nan 8.250 nan 0.000 0.443 176 K N 1.271 121.679 120.400 0.015 0.000 2.520 176 K HA -0.108 4.212 4.320 0.000 0.000 0.198 176 K C 1.061 177.676 176.600 0.024 0.000 1.045 176 K CA 0.841 57.140 56.287 0.020 0.000 0.934 176 K CB -0.041 32.478 32.500 0.031 0.000 0.766 176 K HN 0.206 nan 8.250 nan 0.000 0.483 177 N N -0.137 118.580 118.700 0.030 0.000 2.145 177 N HA 0.009 4.749 4.740 0.000 0.000 0.219 177 N C -0.868 174.659 175.510 0.028 0.000 1.266 177 N CA 0.093 53.165 53.050 0.035 0.000 0.902 177 N CB 0.896 39.414 38.487 0.053 0.000 1.078 177 N HN -0.036 nan 8.380 nan 0.000 0.513 178 K N 1.124 121.527 120.400 0.006 0.000 3.150 178 K HA -0.164 4.156 4.320 0.000 0.000 0.267 178 K C -0.193 176.427 176.600 0.034 0.000 1.028 178 K CA 0.571 56.850 56.287 -0.013 0.000 0.753 178 K CB -2.286 30.212 32.500 -0.004 0.000 1.288 178 K HN 0.345 nan 8.250 nan 0.000 0.473 179 L N 0.611 121.886 121.223 0.087 0.000 2.436 179 L HA 0.203 4.543 4.340 0.000 0.000 0.265 179 L C 0.848 177.841 176.870 0.204 0.000 1.168 179 L CA -0.050 54.873 54.840 0.138 0.000 0.815 179 L CB 0.814 42.961 42.059 0.147 0.000 1.109 179 L HN 0.054 nan 8.230 nan 0.000 0.462 180 T N 1.849 116.471 114.554 0.114 0.000 2.893 180 T HA 0.377 4.727 4.350 0.000 0.000 0.324 180 T C -0.172 174.526 174.700 -0.003 0.000 1.082 180 T CA -0.359 61.799 62.100 0.097 0.000 0.983 180 T CB 0.987 69.898 68.868 0.072 0.000 1.005 180 T HN 0.167 nan 8.240 nan 0.000 0.475 181 V N 4.455 124.275 119.914 -0.155 0.000 2.439 181 V HA 0.458 4.578 4.120 0.000 0.000 0.282 181 V C -0.251 175.702 176.094 -0.235 0.000 1.039 181 V CA -0.904 61.175 62.300 -0.367 0.000 0.913 181 V CB 1.609 32.832 31.823 -1.001 0.000 0.983 181 V HN 0.617 nan 8.190 nan 0.000 0.460 182 L N 5.300 126.473 121.223 -0.084 0.000 2.295 182 L HA 0.487 4.827 4.340 0.000 0.000 0.281 182 L C -0.468 176.452 176.870 0.083 0.000 1.018 182 L CA -0.063 54.840 54.840 0.106 0.000 0.841 182 L CB 0.599 42.754 42.059 0.159 0.000 1.218 182 L HN 0.745 nan 8.230 nan 0.000 0.424 183 H N 4.982 124.080 119.070 0.047 0.000 2.541 183 H HA 0.564 5.120 4.556 0.000 0.000 0.316 183 H C -0.815 174.561 175.328 0.081 0.000 1.043 183 H CA -0.632 55.467 56.048 0.084 0.000 1.232 183 H CB 0.893 30.828 29.762 0.289 0.000 1.406 183 H HN 0.598 nan 8.280 nan 0.000 0.469 184 I N 5.629 126.345 120.570 0.242 0.000 2.339 184 I HA 0.264 4.434 4.170 0.000 0.000 0.290 184 I C -0.278 175.977 176.117 0.230 0.000 0.994 184 I CA -0.168 61.259 61.300 0.212 0.000 1.191 184 I CB 1.634 39.724 38.000 0.149 0.000 1.343 184 I HN 0.608 nan 8.210 nan 0.000 0.458 185 T N 3.131 117.813 114.554 0.213 0.000 2.841 185 T HA 0.308 4.658 4.350 0.000 0.000 0.296 185 T C 0.376 175.173 174.700 0.161 0.000 1.166 185 T CA -0.446 61.758 62.100 0.174 0.000 1.007 185 T CB 1.570 70.520 68.868 0.136 0.000 1.253 185 T HN 0.691 nan 8.240 nan 0.000 0.511 186 H N -0.686 118.445 119.070 0.102 0.000 2.755 186 H HA 0.258 4.814 4.556 0.000 0.000 0.273 186 H C -0.565 174.834 175.328 0.118 0.000 1.055 186 H CA -0.216 55.915 56.048 0.139 0.000 1.191 186 H CB 0.648 30.479 29.762 0.115 0.000 1.536 186 H HN 0.364 nan 8.280 nan 0.000 0.529 187 D N 2.545 122.690 120.400 -0.424 0.000 2.380 187 D HA 0.023 4.663 4.640 0.000 0.000 0.230 187 D C 1.052 177.275 176.300 -0.129 0.000 1.154 187 D CA -0.220 53.566 54.000 -0.356 0.000 0.859 187 D CB 1.466 42.044 40.800 -0.370 0.000 1.045 187 D HN 0.527 nan 8.370 nan 0.000 0.495 188 Q N 1.658 121.421 119.800 -0.062 0.000 2.167 188 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 188 Q C 1.475 177.473 176.000 -0.002 0.000 0.970 188 Q CA 0.962 56.801 55.803 0.061 0.000 0.855 188 Q CB -0.190 28.619 28.738 0.118 0.000 0.911 188 Q HN 0.292 nan 8.270 nan 0.000 0.438 189 T N 1.289 115.814 114.554 -0.049 0.000 2.821 189 T HA -0.105 4.245 4.350 0.000 0.000 0.267 189 T C 1.574 176.191 174.700 -0.139 0.000 1.046 189 T CA 1.246 63.322 62.100 -0.039 0.000 1.139 189 T CB -0.044 68.850 68.868 0.043 0.000 0.871 189 T HN 0.296 nan 8.240 nan 0.000 0.454 190 E N 1.302 121.408 120.200 -0.156 0.000 2.047 190 E HA -0.018 4.332 4.350 0.000 0.000 0.191 190 E C 2.629 179.069 176.600 -0.267 0.000 0.987 190 E CA 1.094 57.372 56.400 -0.204 0.000 0.799 190 E CB -0.691 28.911 29.700 -0.164 0.000 0.752 190 E HN 0.474 nan 8.360 nan 0.000 0.449 191 A N 2.393 125.092 122.820 -0.202 0.000 1.869 191 A HA -0.290 4.030 4.320 0.000 0.000 0.218 191 A C 2.221 179.692 177.584 -0.188 0.000 1.203 191 A CA 2.067 53.997 52.037 -0.179 0.000 0.638 191 A CB -0.661 18.333 19.000 -0.011 0.000 0.831 191 A HN 0.140 nan 8.150 nan 0.000 0.450 192 R N -0.736 119.650 120.500 -0.190 0.000 2.127 192 R HA -0.164 4.176 4.340 0.000 0.000 0.228 192 R C 2.088 178.189 176.300 -0.330 0.000 1.125 192 R CA 1.870 57.796 56.100 -0.289 0.000 0.904 192 R CB -0.916 29.083 30.300 -0.501 0.000 0.831 192 R HN 0.601 nan 8.270 nan 0.000 0.431 193 I N 0.473 120.730 120.570 -0.522 0.000 2.285 193 I HA -0.353 3.817 4.170 0.000 0.000 0.253 193 I C 2.131 178.019 176.117 -0.381 0.000 1.104 193 I CA 1.598 62.499 61.300 -0.665 0.000 1.372 193 I CB -0.194 37.425 38.000 -0.636 0.000 1.057 193 I HN 0.342 nan 8.210 nan 0.000 0.431 194 M N -0.984 118.381 119.600 -0.392 0.000 2.300 194 M HA 0.285 4.765 4.480 0.000 0.000 0.313 194 M C 0.593 176.546 176.300 -0.578 0.000 0.988 194 M CA -0.193 54.802 55.300 -0.509 0.000 1.012 194 M CB 0.796 32.995 32.600 -0.668 0.000 1.586 194 M HN 0.105 nan 8.290 nan 0.000 0.562 195 A N 0.469 123.091 122.820 -0.331 0.000 2.304 195 A HA 0.293 4.613 4.320 0.000 0.000 0.271 195 A C 0.081 177.636 177.584 -0.049 0.000 1.091 195 A CA -0.100 51.829 52.037 -0.181 0.000 0.812 195 A CB 0.456 19.381 19.000 -0.125 0.000 1.056 195 A HN 0.193 nan 8.150 nan 0.000 0.489 196 D N -0.607 119.829 120.400 0.061 0.000 2.454 196 D HA 0.223 4.863 4.640 0.000 0.000 0.219 196 D C 0.265 176.653 176.300 0.146 0.000 1.081 196 D CA 0.795 54.877 54.000 0.136 0.000 0.867 196 D CB 0.338 41.277 40.800 0.231 0.000 1.054 196 D HN 0.501 nan 8.370 nan 0.000 0.500 197 R N -0.021 120.543 120.500 0.107 0.000 2.687 197 R HA 0.341 4.681 4.340 0.000 0.000 0.265 197 R C -1.550 174.602 176.300 -0.246 0.000 1.048 197 R CA -0.621 55.528 56.100 0.081 0.000 0.884 197 R CB 1.820 32.359 30.300 0.400 0.000 1.258 197 R HN -0.132 nan 8.270 nan 0.000 0.469 198 I N 1.225 121.679 120.570 -0.195 0.000 2.530 198 I HA 0.543 4.713 4.170 0.000 0.000 0.297 198 I C -0.263 175.705 176.117 -0.248 0.000 1.011 198 I CA -0.768 60.358 61.300 -0.291 0.000 1.107 198 I CB 1.877 39.825 38.000 -0.088 0.000 1.285 198 I HN 0.709 nan 8.210 nan 0.000 0.436 199 A N 6.068 128.720 122.820 -0.280 0.000 2.409 199 A HA 0.582 4.902 4.320 0.000 0.000 0.300 199 A C -0.624 176.938 177.584 -0.038 0.000 1.273 199 A CA -0.481 51.554 52.037 -0.002 0.000 0.774 199 A CB 0.679 19.828 19.000 0.248 0.000 1.144 199 A HN 0.401 nan 8.150 nan 0.000 0.472 200 V N 3.066 122.952 119.914 -0.046 0.000 2.439 200 V HA 0.224 4.344 4.120 0.000 0.000 0.271 200 V C -0.065 175.976 176.094 -0.088 0.000 1.040 200 V CA 0.148 62.398 62.300 -0.082 0.000 1.002 200 V CB 1.045 32.804 31.823 -0.107 0.000 1.000 200 V HN 0.556 nan 8.190 nan 0.000 0.477 201 V N 7.493 127.339 119.914 -0.112 0.000 2.409 201 V HA 0.467 4.587 4.120 0.000 0.000 0.290 201 V C -0.115 175.903 176.094 -0.126 0.000 1.017 201 V CA -0.384 61.847 62.300 -0.115 0.000 0.841 201 V CB 1.679 33.417 31.823 -0.142 0.000 1.003 201 V HN 0.826 nan 8.190 nan 0.000 0.426 202 M N 3.621 123.142 119.600 -0.132 0.000 2.227 202 M HA 0.430 4.910 4.480 0.000 0.000 0.335 202 M C 0.004 176.260 176.300 -0.074 0.000 1.053 202 M CA -0.490 54.727 55.300 -0.139 0.000 0.973 202 M CB 1.250 33.733 32.600 -0.195 0.000 1.623 202 M HN 0.740 nan 8.290 nan 0.000 0.434 203 D N 3.254 123.651 120.400 -0.004 0.000 2.697 203 D HA -0.155 4.485 4.640 0.000 0.000 0.238 203 D C 0.659 176.881 176.300 -0.132 0.000 1.152 203 D CA 1.704 55.710 54.000 0.010 0.000 0.666 203 D CB -0.835 39.950 40.800 -0.026 0.000 1.037 203 D HN 1.167 nan 8.370 nan 0.000 0.423 204 G N 1.224 109.931 108.800 -0.156 0.000 2.371 204 G HA2 -0.273 3.687 3.960 0.000 0.000 0.299 204 G HA3 -0.273 3.687 3.960 0.000 0.000 0.299 204 G C -0.154 174.597 174.900 -0.249 0.000 1.014 204 G CA 0.823 45.654 45.100 -0.448 0.000 1.097 204 G HN 0.499 nan 8.290 nan 0.000 0.512 205 K N -0.371 119.943 120.400 -0.143 0.000 2.581 205 K HA 0.336 4.656 4.320 0.000 0.000 0.249 205 K C -0.445 176.107 176.600 -0.080 0.000 0.966 205 K CA -1.098 55.128 56.287 -0.101 0.000 0.811 205 K CB 2.306 34.753 32.500 -0.089 0.000 1.223 205 K HN 0.226 nan 8.250 nan 0.000 0.438 206 L N 4.183 125.374 121.223 -0.053 0.000 2.410 206 L HA 0.210 4.550 4.340 0.000 0.000 0.273 206 L C 0.638 177.489 176.870 -0.031 0.000 1.152 206 L CA 0.715 55.536 54.840 -0.032 0.000 0.855 206 L CB 0.162 42.227 42.059 0.010 0.000 1.129 206 L HN 0.740 nan 8.230 nan 0.000 0.463 207 I N 2.333 122.880 120.570 -0.038 0.000 3.971 207 I HA 0.238 4.408 4.170 0.000 0.000 0.303 207 I C 0.503 176.606 176.117 -0.024 0.000 1.233 207 I CA -0.016 61.261 61.300 -0.039 0.000 1.346 207 I CB 0.308 38.269 38.000 -0.064 0.000 1.273 207 I HN 0.642 nan 8.210 nan 0.000 0.448 208 Q N 0.560 120.348 119.800 -0.020 0.000 2.534 208 Q HA 0.634 4.974 4.340 0.000 0.000 0.290 208 Q C -1.908 174.105 176.000 0.023 0.000 0.991 208 Q CA -0.492 55.307 55.803 -0.007 0.000 0.783 208 Q CB 3.648 32.364 28.738 -0.037 0.000 1.470 208 Q HN -0.093 nan 8.270 nan 0.000 0.406 209 V N 0.413 120.356 119.914 0.048 0.000 2.969 209 V HA 0.919 5.039 4.120 0.000 0.000 0.304 209 V C -0.416 175.739 176.094 0.102 0.000 1.192 209 V CA 0.150 62.517 62.300 0.112 0.000 0.962 209 V CB 1.930 33.857 31.823 0.174 0.000 1.045 209 V HN 1.014 nan 8.190 nan 0.000 0.428 210 G N 2.631 111.506 108.800 0.126 0.000 2.345 210 G HA2 0.204 4.164 3.960 0.000 0.000 0.310 210 G HA3 0.204 4.164 3.960 0.000 0.000 0.310 210 G C -1.267 173.693 174.900 0.099 0.000 1.476 210 G CA -1.130 44.037 45.100 0.110 0.000 0.978 210 G HN 0.669 nan 8.290 nan 0.000 0.656 211 K N 1.290 121.752 120.400 0.103 0.000 2.542 211 K HA 0.049 4.369 4.320 0.000 0.000 0.276 211 K C -1.422 175.249 176.600 0.117 0.000 0.963 211 K CA -0.124 56.224 56.287 0.101 0.000 0.975 211 K CB 0.726 33.278 32.500 0.086 0.000 0.901 211 K HN 0.155 nan 8.250 nan 0.000 0.506 212 P HA -0.269 nan 4.420 nan 0.000 0.214 212 P C 0.562 178.051 177.300 0.315 0.000 1.172 212 P CA 1.570 64.824 63.100 0.257 0.000 0.925 212 P CB 0.113 31.881 31.700 0.114 0.000 0.793 213 E N -0.341 119.954 120.200 0.159 0.000 2.136 213 E HA -0.275 4.075 4.350 0.000 0.000 0.202 213 E C 1.973 178.654 176.600 0.136 0.000 1.019 213 E CA 1.376 57.850 56.400 0.124 0.000 0.819 213 E CB -0.564 29.166 29.700 0.051 0.000 0.739 213 E HN 0.494 nan 8.360 nan 0.000 0.458 214 E N -0.025 120.238 120.200 0.105 0.000 2.204 214 E HA -0.140 4.210 4.350 0.000 0.000 0.194 214 E C 2.043 178.657 176.600 0.024 0.000 0.989 214 E CA 0.482 56.918 56.400 0.060 0.000 0.824 214 E CB 0.116 29.846 29.700 0.049 0.000 0.756 214 E HN 0.278 nan 8.360 nan 0.000 0.477 215 I N -0.182 120.394 120.570 0.011 0.000 2.480 215 I HA -0.127 4.043 4.170 0.000 0.000 0.251 215 I C 1.691 177.566 176.117 -0.404 0.000 1.124 215 I CA 1.197 62.346 61.300 -0.251 0.000 1.444 215 I CB -0.590 37.113 38.000 -0.494 0.000 1.098 215 I HN 0.063 nan 8.210 nan 0.000 0.428 216 F N 1.017 120.952 119.950 -0.025 0.000 2.383 216 F HA 0.111 4.638 4.527 0.000 0.000 0.287 216 F C 2.279 178.039 175.800 -0.066 0.000 1.069 216 F CA 0.259 58.231 58.000 -0.046 0.000 1.402 216 F CB -0.615 38.342 39.000 -0.071 0.000 1.116 216 F HN -0.036 nan 8.300 nan 0.000 0.549 217 E N 0.250 120.530 120.200 0.134 0.000 2.502 217 E HA 0.024 4.374 4.350 0.000 0.000 0.194 217 E C -0.153 176.454 176.600 0.013 0.000 1.062 217 E CA 0.466 56.885 56.400 0.031 0.000 0.867 217 E CB 0.023 29.733 29.700 0.016 0.000 0.888 217 E HN 0.251 nan 8.360 nan 0.000 0.510 218 K N 0.514 120.922 120.400 0.014 0.000 3.200 218 K HA 0.208 4.528 4.320 0.000 0.000 0.179 218 K C -2.813 173.779 176.600 -0.014 0.000 1.153 218 K CA -1.165 55.126 56.287 0.007 0.000 0.836 218 K CB 1.609 34.118 32.500 0.016 0.000 1.051 218 K HN -0.073 nan 8.250 nan 0.000 0.594 219 P HA 0.091 nan 4.420 nan 0.000 0.274 219 P C -0.162 177.132 177.300 -0.010 0.000 1.260 219 P CA -0.542 62.533 63.100 -0.041 0.000 0.793 219 P CB 0.735 32.414 31.700 -0.034 0.000 1.048 220 V N -0.167 119.739 119.914 -0.014 0.000 2.973 220 V HA 0.154 4.274 4.120 0.000 0.000 0.314 220 V C 0.584 176.688 176.094 0.015 0.000 1.066 220 V CA -0.667 61.635 62.300 0.003 0.000 1.021 220 V CB 0.789 32.607 31.823 -0.008 0.000 1.076 220 V HN 0.668 nan 8.190 nan 0.000 0.462 221 E N 1.899 122.116 120.200 0.029 0.000 2.492 221 E HA 0.172 4.522 4.350 0.000 0.000 0.266 221 E C 1.168 177.789 176.600 0.035 0.000 1.047 221 E CA 0.372 56.798 56.400 0.042 0.000 0.968 221 E CB -0.101 29.623 29.700 0.041 0.000 0.960 221 E HN 1.049 nan 8.360 nan 0.000 0.452 222 G N 3.750 112.580 108.800 0.050 0.000 3.523 222 G HA2 -0.512 3.448 3.960 0.000 0.000 0.361 222 G HA3 -0.512 3.448 3.960 0.000 0.000 0.361 222 G C 1.208 176.131 174.900 0.040 0.000 1.349 222 G CA 1.215 46.343 45.100 0.046 0.000 1.173 222 G HN 0.701 nan 8.290 nan 0.000 0.709 223 R N 0.151 120.663 120.500 0.020 0.000 2.122 223 R HA -0.098 4.242 4.340 0.000 0.000 0.236 223 R C 2.744 179.059 176.300 0.025 0.000 1.129 223 R CA 2.334 58.437 56.100 0.006 0.000 0.925 223 R CB -0.995 29.285 30.300 -0.033 0.000 0.850 223 R HN 0.444 nan 8.270 nan 0.000 0.431 224 V N 1.043 120.961 119.914 0.006 0.000 2.343 224 V HA -0.233 3.887 4.120 0.000 0.000 0.247 224 V C 2.539 178.667 176.094 0.057 0.000 1.051 224 V CA 1.955 64.264 62.300 0.015 0.000 1.036 224 V CB -0.864 30.938 31.823 -0.035 0.000 0.654 224 V HN 0.465 nan 8.190 nan 0.000 0.451 225 A N -0.460 122.386 122.820 0.043 0.000 1.902 225 A HA -0.230 4.090 4.320 0.000 0.000 0.217 225 A C 2.569 180.196 177.584 0.071 0.000 1.181 225 A CA 2.190 54.253 52.037 0.045 0.000 0.623 225 A CB -0.782 18.243 19.000 0.042 0.000 0.818 225 A HN 0.494 nan 8.150 nan 0.000 0.443 226 S N -1.703 114.050 115.700 0.088 0.000 2.382 226 S HA -0.142 4.328 4.470 0.000 0.000 0.228 226 S C 1.706 176.400 174.600 0.157 0.000 1.027 226 S CA 1.485 59.746 58.200 0.101 0.000 0.991 226 S CB -0.491 62.767 63.200 0.096 0.000 0.823 226 S HN 0.503 nan 8.310 nan 0.000 0.469 227 F N 1.802 121.752 119.950 0.001 0.000 2.325 227 F HA 0.118 4.645 4.527 0.000 0.000 0.299 227 F C 1.311 177.126 175.800 0.024 0.000 1.090 227 F CA 1.005 59.010 58.000 0.007 0.000 1.392 227 F CB 0.337 39.329 39.000 -0.014 0.000 1.053 227 F HN 0.182 nan 8.300 nan 0.000 0.521 228 V N -2.114 117.850 119.914 0.082 0.000 3.329 228 V HA 0.427 4.547 4.120 0.000 0.000 0.317 228 V C 1.067 177.208 176.094 0.079 0.000 1.495 228 V CA -0.035 62.295 62.300 0.051 0.000 1.105 228 V CB -0.568 31.303 31.823 0.080 0.000 0.985 228 V HN 0.140 nan 8.190 nan 0.000 0.475 229 G N -0.271 108.573 108.800 0.073 0.000 2.484 229 G HA2 0.312 4.272 3.960 0.000 0.000 0.235 229 G HA3 0.312 4.272 3.960 0.000 0.000 0.235 229 G C -0.153 174.855 174.900 0.180 0.000 1.282 229 G CA -0.054 45.114 45.100 0.114 0.000 0.857 229 G HN 0.286 nan 8.290 nan 0.000 0.571 230 F N -0.101 119.782 119.950 -0.112 0.000 2.194 230 F HA -0.158 4.369 4.527 -0.000 0.000 0.197 230 F C 0.547 176.301 175.800 -0.076 0.000 1.020 230 F CA 1.209 59.143 58.000 -0.111 0.000 0.842 230 F CB -0.533 38.390 39.000 -0.127 0.000 0.970 230 F HN 0.411 nan 8.300 nan 0.000 0.788 231 E N 1.580 121.740 120.200 -0.067 0.000 2.321 231 E HA 0.284 4.634 4.350 0.000 0.000 0.281 231 E C -0.803 175.696 176.600 -0.169 0.000 0.910 231 E CA -0.881 55.478 56.400 -0.068 0.000 0.770 231 E CB 1.552 31.230 29.700 -0.036 0.000 1.225 231 E HN 0.196 nan 8.360 nan 0.000 0.417 232 N N 1.440 120.032 118.700 -0.181 0.000 2.457 232 N HA 0.333 5.073 4.740 0.000 0.000 0.250 232 N C -0.912 174.398 175.510 -0.333 0.000 0.982 232 N CA -0.196 52.707 53.050 -0.244 0.000 0.941 232 N CB 1.681 40.026 38.487 -0.236 0.000 1.120 232 N HN 0.086 nan 8.380 nan 0.000 0.505 233 V N 4.116 123.787 119.914 -0.405 0.000 2.443 233 V HA 0.414 4.534 4.120 0.000 0.000 0.293 233 V C -0.183 175.690 176.094 -0.369 0.000 1.021 233 V CA -0.703 61.249 62.300 -0.580 0.000 0.848 233 V CB 1.865 33.195 31.823 -0.822 0.000 0.998 233 V HN 0.394 nan 8.190 nan 0.000 0.424 234 L N 5.500 126.539 121.223 -0.307 0.000 2.298 234 L HA 0.570 4.910 4.340 0.000 0.000 0.284 234 L C 0.252 176.934 176.870 -0.313 0.000 1.013 234 L CA -0.811 53.880 54.840 -0.248 0.000 0.824 234 L CB 1.550 43.497 42.059 -0.187 0.000 1.221 234 L HN 0.691 nan 8.230 nan 0.000 0.418 235 K N 2.102 122.279 120.400 -0.372 0.000 2.312 235 K HA 0.662 4.982 4.320 0.000 0.000 0.287 235 K C -0.048 176.324 176.600 -0.380 0.000 1.062 235 K CA -0.328 55.593 56.287 -0.611 0.000 0.934 235 K CB 1.337 33.518 32.500 -0.531 0.000 1.027 235 K HN 0.680 nan 8.250 nan 0.000 0.478 236 G N 1.963 110.543 108.800 -0.366 0.000 2.866 236 G HA2 0.458 4.418 3.960 0.000 0.000 0.289 236 G HA3 0.458 4.418 3.960 0.000 0.000 0.289 236 G C -1.594 173.203 174.900 -0.171 0.000 1.396 236 G CA -1.148 43.827 45.100 -0.209 0.000 0.848 236 G HN 0.606 nan 8.290 nan 0.000 0.515 237 R N 0.202 120.638 120.500 -0.107 0.000 2.502 237 R HA 0.484 4.824 4.340 0.000 0.000 0.300 237 R C -0.999 175.269 176.300 -0.052 0.000 0.984 237 R CA -0.483 55.571 56.100 -0.077 0.000 0.882 237 R CB 1.865 32.127 30.300 -0.064 0.000 1.180 237 R HN 0.331 nan 8.270 nan 0.000 0.444 238 V N 7.206 127.095 119.914 -0.041 0.000 2.458 238 V HA -0.005 4.115 4.120 0.000 0.000 0.287 238 V C 1.548 177.629 176.094 -0.021 0.000 1.009 238 V CA 0.568 62.852 62.300 -0.027 0.000 1.091 238 V CB 0.532 32.343 31.823 -0.020 0.000 0.960 238 V HN 0.790 nan 8.190 nan 0.000 0.476 239 I N 2.644 123.203 120.570 -0.018 0.000 2.867 239 I HA 0.101 4.271 4.170 0.000 0.000 0.265 239 I C 1.082 177.192 176.117 -0.011 0.000 1.162 239 I CA 0.826 62.117 61.300 -0.016 0.000 1.471 239 I CB 0.307 38.297 38.000 -0.016 0.000 1.123 239 I HN 0.635 nan 8.210 nan 0.000 0.440 240 S N 0.340 116.034 115.700 -0.009 0.000 2.541 240 S HA 0.781 5.251 4.470 0.000 0.000 0.271 240 S C -1.217 173.380 174.600 -0.004 0.000 1.133 240 S CA -0.382 57.814 58.200 -0.006 0.000 0.876 240 S CB 1.957 65.154 63.200 -0.006 0.000 1.105 240 S HN 0.141 nan 8.310 nan 0.000 0.470 241 A N 3.371 126.189 122.820 -0.003 0.000 3.300 241 A HA 0.499 4.819 4.320 0.000 0.000 0.300 241 A C -0.990 176.594 177.584 -0.000 0.000 1.099 241 A CA -0.506 51.531 52.037 -0.001 0.000 0.846 241 A CB 0.449 19.448 19.000 -0.002 0.000 1.255 241 A HN 0.602 nan 8.150 nan 0.000 0.519 242 E N 1.212 121.413 120.200 0.000 0.000 2.044 242 E HA 0.304 4.654 4.350 0.000 0.000 0.282 242 E C -0.269 176.333 176.600 0.002 0.000 1.031 242 E CA -0.377 56.023 56.400 0.001 0.000 0.824 242 E CB 1.181 30.881 29.700 -0.000 0.000 1.076 242 E HN 0.591 nan 8.360 nan 0.000 0.395 243 Q N 1.671 121.472 119.800 0.002 0.000 2.454 243 Q HA -0.232 4.108 4.340 0.000 0.000 0.307 243 Q C 0.697 176.700 176.000 0.005 0.000 1.430 243 Q CA 1.297 57.102 55.803 0.003 0.000 0.786 243 Q CB -1.742 26.998 28.738 0.003 0.000 1.115 243 Q HN 1.028 nan 8.270 nan 0.000 0.389 244 G N -1.098 107.706 108.800 0.005 0.000 2.302 244 G HA2 -0.343 3.617 3.960 0.000 0.000 0.263 244 G HA3 -0.343 3.617 3.960 0.000 0.000 0.263 244 G C -0.116 174.790 174.900 0.010 0.000 0.995 244 G CA 0.264 45.368 45.100 0.008 0.000 0.622 244 G HN 0.937 nan 8.290 nan 0.000 0.538 245 L N 2.167 123.396 121.223 0.010 0.000 2.260 245 L HA 0.712 5.052 4.340 0.000 0.000 0.289 245 L C 0.398 177.274 176.870 0.010 0.000 1.057 245 L CA -0.777 54.070 54.840 0.013 0.000 0.811 245 L CB 0.617 42.682 42.059 0.011 0.000 1.184 245 L HN 0.211 nan 8.230 nan 0.000 0.429 246 L N 5.351 126.582 121.223 0.013 0.000 2.399 246 L HA 0.611 4.951 4.340 0.000 0.000 0.265 246 L C 0.331 177.207 176.870 0.011 0.000 1.089 246 L CA -0.818 54.027 54.840 0.008 0.000 0.802 246 L CB 0.881 42.944 42.059 0.007 0.000 1.180 246 L HN 0.510 nan 8.230 nan 0.000 0.454 247 R N 2.439 122.942 120.500 0.004 0.000 2.473 247 R HA 0.568 4.908 4.340 0.000 0.000 0.303 247 R C -1.246 175.051 176.300 -0.004 0.000 1.002 247 R CA -0.428 55.674 56.100 0.003 0.000 0.884 247 R CB 1.648 31.946 30.300 -0.002 0.000 1.173 247 R HN 0.549 nan 8.270 nan 0.000 0.464 248 I N 2.172 122.741 120.570 -0.001 0.000 2.525 248 I HA 0.479 4.649 4.170 0.000 0.000 0.301 248 I C 0.262 176.367 176.117 -0.020 0.000 0.992 248 I CA -1.043 60.247 61.300 -0.016 0.000 1.162 248 I CB 1.978 39.967 38.000 -0.020 0.000 1.332 248 I HN 0.246 nan 8.210 nan 0.000 0.458 249 R N 4.257 124.735 120.500 -0.036 0.000 2.393 249 R HA 0.725 5.065 4.340 0.000 0.000 0.310 249 R C -1.901 174.365 176.300 -0.057 0.000 0.968 249 R CA -0.407 55.670 56.100 -0.038 0.000 0.867 249 R CB 1.510 31.787 30.300 -0.037 0.000 1.124 249 R HN 0.497 nan 8.270 nan 0.000 0.450 250 V N 5.439 125.323 119.914 -0.049 0.000 2.483 250 V HA 0.508 4.628 4.120 0.000 0.000 0.297 250 V C 1.060 177.123 176.094 -0.053 0.000 1.027 250 V CA 0.079 62.339 62.300 -0.066 0.000 0.855 250 V CB 0.969 32.752 31.823 -0.067 0.000 0.995 250 V HN 1.125 nan 8.190 nan 0.000 0.424 251 G N 4.701 113.467 108.800 -0.057 0.000 2.692 251 G HA2 -0.329 3.631 3.960 0.000 0.000 0.339 251 G HA3 -0.329 3.631 3.960 0.000 0.000 0.339 251 G C 0.616 175.495 174.900 -0.036 0.000 1.226 251 G CA 1.155 46.228 45.100 -0.045 0.000 0.979 251 G HN 0.719 nan 8.290 nan 0.000 0.549 252 E N 0.112 120.293 120.200 -0.032 0.000 2.498 252 E HA 0.374 4.724 4.350 0.000 0.000 0.203 252 E C 0.842 177.425 176.600 -0.028 0.000 1.013 252 E CA 0.380 56.763 56.400 -0.028 0.000 0.927 252 E CB 0.814 30.498 29.700 -0.027 0.000 1.012 252 E HN 0.660 nan 8.360 nan 0.000 0.482 253 V N -2.098 117.800 119.914 -0.026 0.000 3.093 253 V HA 0.585 4.705 4.120 0.000 0.000 0.320 253 V C 0.031 176.116 176.094 -0.015 0.000 1.093 253 V CA -0.892 61.395 62.300 -0.022 0.000 1.016 253 V CB 1.930 33.745 31.823 -0.014 0.000 1.096 253 V HN -0.262 nan 8.190 nan 0.000 0.452 254 V N 2.287 122.193 119.914 -0.013 0.000 2.540 254 V HA 0.573 4.693 4.120 0.000 0.000 0.302 254 V C -0.344 175.756 176.094 0.011 0.000 1.035 254 V CA -0.309 61.987 62.300 -0.006 0.000 0.873 254 V CB 1.527 33.340 31.823 -0.016 0.000 0.992 254 V HN 0.778 nan 8.190 nan 0.000 0.428 255 I N 3.113 123.704 120.570 0.035 0.000 2.465 255 I HA 0.470 4.640 4.170 0.000 0.000 0.291 255 I C -0.982 175.174 176.117 0.064 0.000 1.014 255 I CA -0.633 60.719 61.300 0.086 0.000 1.093 255 I CB 2.174 40.275 38.000 0.168 0.000 1.267 255 I HN 0.493 nan 8.210 nan 0.000 0.431 256 D N 4.709 125.145 120.400 0.060 0.000 2.210 256 D HA 0.749 5.389 4.640 0.000 0.000 0.249 256 D C -0.250 176.102 176.300 0.086 0.000 1.078 256 D CA 0.180 54.208 54.000 0.046 0.000 0.875 256 D CB 1.840 42.649 40.800 0.015 0.000 1.175 256 D HN 0.713 nan 8.370 nan 0.000 0.440 257 A N 1.002 123.862 122.820 0.066 0.000 2.594 257 A HA 0.927 5.247 4.320 0.000 0.000 0.307 257 A C -1.656 175.957 177.584 0.050 0.000 1.203 257 A CA -0.451 51.630 52.037 0.075 0.000 0.644 257 A CB 0.888 19.934 19.000 0.078 0.000 1.349 257 A HN 0.602 nan 8.150 nan 0.000 0.510 258 A N -1.422 121.427 122.820 0.049 0.000 2.498 258 A HA 1.002 5.322 4.320 0.000 0.000 0.298 258 A C -0.041 177.559 177.584 0.026 0.000 1.075 258 A CA -0.031 52.028 52.037 0.036 0.000 0.714 258 A CB 1.425 20.450 19.000 0.041 0.000 1.299 258 A HN 2.782 nan 8.150 nan 0.000 0.407 259 G N 0.778 109.588 108.800 0.016 0.000 2.337 259 G HA2 0.452 4.412 3.960 0.000 0.000 0.310 259 G HA3 0.452 4.412 3.960 0.000 0.000 0.310 259 G C -1.688 173.213 174.900 0.001 0.000 1.534 259 G CA -0.267 44.836 45.100 0.005 0.000 0.982 259 G HN 1.219 nan 8.290 nan 0.000 0.672 260 D N 0.618 121.017 120.400 -0.001 0.000 2.365 260 D HA 0.507 5.147 4.640 0.000 0.000 0.237 260 D C 0.445 176.742 176.300 -0.005 0.000 1.190 260 D CA -0.005 53.994 54.000 -0.002 0.000 0.867 260 D CB 0.654 41.453 40.800 -0.000 0.000 1.050 260 D HN 0.499 nan 8.370 nan 0.000 0.491 261 M N 1.042 120.640 119.600 -0.005 0.000 2.520 261 M HA 0.313 4.793 4.480 0.000 0.000 0.280 261 M C -0.743 175.554 176.300 -0.004 0.000 1.232 261 M CA -0.717 54.580 55.300 -0.005 0.000 0.892 261 M CB 2.296 34.892 32.600 -0.008 0.000 1.728 261 M HN 0.078 nan 8.290 nan 0.000 0.475 262 E N 0.873 121.071 120.200 -0.004 0.000 2.250 262 E HA 0.573 4.923 4.350 0.000 0.000 0.269 262 E C -0.675 175.921 176.600 -0.006 0.000 1.018 262 E CA -0.561 55.836 56.400 -0.004 0.000 0.873 262 E CB 1.500 31.198 29.700 -0.003 0.000 1.134 262 E HN 0.396 nan 8.360 nan 0.000 0.403 263 V N 1.783 121.693 119.914 -0.007 0.000 2.901 263 V HA 0.226 4.346 4.120 0.000 0.000 0.307 263 V C 1.507 177.595 176.094 -0.010 0.000 1.084 263 V CA 1.488 63.782 62.300 -0.009 0.000 1.184 263 V CB 0.316 32.134 31.823 -0.008 0.000 0.941 263 V HN 0.975 nan 8.190 nan 0.000 0.493 264 G N 2.607 111.398 108.800 -0.014 0.000 2.176 264 G HA2 -0.187 3.773 3.960 0.000 0.000 0.253 264 G HA3 -0.187 3.773 3.960 0.000 0.000 0.253 264 G C -0.076 174.816 174.900 -0.015 0.000 0.979 264 G CA 0.074 45.166 45.100 -0.014 0.000 0.641 264 G HN 0.707 nan 8.290 nan 0.000 0.530 265 D N 1.594 121.985 120.400 -0.015 0.000 2.295 265 D HA 0.313 4.953 4.640 0.000 0.000 0.248 265 D C 0.490 176.774 176.300 -0.027 0.000 1.154 265 D CA 0.056 54.049 54.000 -0.013 0.000 0.857 265 D CB 0.813 41.609 40.800 -0.007 0.000 1.117 265 D HN 0.199 nan 8.370 nan 0.000 0.468 266 Q N 1.929 121.714 119.800 -0.026 0.000 2.300 266 Q HA 0.180 4.520 4.340 0.000 0.000 0.262 266 Q C 0.362 176.330 176.000 -0.054 0.000 1.109 266 Q CA -0.184 55.581 55.803 -0.063 0.000 0.905 266 Q CB 0.900 29.614 28.738 -0.040 0.000 1.280 266 Q HN 0.335 nan 8.270 nan 0.000 0.426 267 V N 0.337 120.180 119.914 -0.119 0.000 3.166 267 V HA 0.658 4.778 4.120 0.000 0.000 0.317 267 V C -1.144 174.802 176.094 -0.246 0.000 1.136 267 V CA -1.006 61.264 62.300 -0.050 0.000 1.035 267 V CB 1.760 33.576 31.823 -0.012 0.000 1.110 267 V HN 0.511 nan 8.190 nan 0.000 0.450 268 Y N 0.269 120.555 120.300 -0.023 0.000 2.376 268 Y HA 0.828 5.378 4.550 0.000 0.000 0.340 268 Y C 0.305 176.234 175.900 0.048 0.000 0.965 268 Y CA -0.187 57.903 58.100 -0.016 0.000 1.078 268 Y CB 2.123 40.619 38.460 0.060 0.000 1.193 268 Y HN 1.041 nan 8.280 nan 0.000 0.452 269 A N 4.099 126.957 122.820 0.063 0.000 2.291 269 A HA 0.741 5.061 4.320 0.000 0.000 0.311 269 A C -1.565 176.028 177.584 0.015 0.000 1.224 269 A CA -0.501 51.587 52.037 0.084 0.000 0.821 269 A CB 0.039 19.030 19.000 -0.015 0.000 1.172 269 A HN 0.536 nan 8.150 nan 0.000 0.494 270 F N 1.986 121.919 119.950 -0.030 0.000 2.394 270 F HA 0.626 5.153 4.527 0.000 0.000 0.340 270 F C -0.032 175.725 175.800 -0.070 0.000 1.105 270 F CA -0.843 57.135 58.000 -0.036 0.000 1.124 270 F CB 1.783 40.795 39.000 0.022 0.000 1.145 270 F HN 0.374 nan 8.300 nan 0.000 0.505 271 L N 4.655 125.866 121.223 -0.019 0.000 2.541 271 L HA 0.456 4.796 4.340 0.000 0.000 0.266 271 L C -0.595 176.220 176.870 -0.091 0.000 0.966 271 L CA -0.641 54.127 54.840 -0.120 0.000 0.871 271 L CB 1.262 43.107 42.059 -0.356 0.000 1.232 271 L HN 0.537 nan 8.230 nan 0.000 0.408 272 R N 5.238 125.719 120.500 -0.031 0.000 2.539 272 R HA 0.283 4.623 4.340 0.000 0.000 0.275 272 R C -1.720 174.576 176.300 -0.006 0.000 1.077 272 R CA -1.370 54.728 56.100 -0.003 0.000 1.097 272 R CB 0.294 30.605 30.300 0.020 0.000 1.018 272 R HN 0.426 nan 8.270 nan 0.000 0.483 273 P HA -0.149 nan 4.420 nan 0.000 0.219 273 P C -0.127 177.212 177.300 0.064 0.000 1.146 273 P CA 1.213 64.356 63.100 0.071 0.000 0.808 273 P CB 0.276 32.080 31.700 0.173 0.000 0.779 274 E N -1.306 118.924 120.200 0.050 0.000 2.463 274 E HA 0.015 4.365 4.350 0.000 0.000 0.191 274 E C 0.461 177.090 176.600 0.048 0.000 1.083 274 E CA 0.376 56.804 56.400 0.046 0.000 0.872 274 E CB -0.882 28.838 29.700 0.033 0.000 0.966 274 E HN 0.441 nan 8.360 nan 0.000 0.491 275 N N -0.394 118.337 118.700 0.050 0.000 2.159 275 N HA 0.228 4.968 4.740 0.000 0.000 0.217 275 N C -0.453 175.128 175.510 0.118 0.000 1.223 275 N CA -0.117 52.974 53.050 0.069 0.000 0.896 275 N CB 1.116 39.634 38.487 0.051 0.000 1.064 275 N HN 0.030 nan 8.380 nan 0.000 0.518 276 I N 1.050 121.686 120.570 0.110 0.000 2.412 276 I HA 0.578 4.748 4.170 0.000 0.000 0.296 276 I C -0.135 176.067 176.117 0.141 0.000 0.987 276 I CA -0.783 60.621 61.300 0.174 0.000 1.180 276 I CB 1.656 39.743 38.000 0.145 0.000 1.340 276 I HN -0.050 nan 8.210 nan 0.000 0.455 277 A N 6.910 129.820 122.820 0.150 0.000 2.312 277 A HA 0.965 5.285 4.320 0.000 0.000 0.310 277 A C -0.994 176.658 177.584 0.113 0.000 1.139 277 A CA -0.619 51.484 52.037 0.110 0.000 0.886 277 A CB 1.454 20.507 19.000 0.089 0.000 1.350 277 A HN 0.658 nan 8.150 nan 0.000 0.479 278 L N 0.604 121.884 121.223 0.095 0.000 2.528 278 L HA 0.475 4.815 4.340 0.000 0.000 0.267 278 L C -0.583 176.336 176.870 0.082 0.000 0.961 278 L CA -0.199 54.702 54.840 0.102 0.000 0.866 278 L CB 2.109 44.226 42.059 0.097 0.000 1.248 278 L HN 0.640 nan 8.230 nan 0.000 0.404 279 S N 1.254 117.009 115.700 0.092 0.000 2.638 279 S HA 0.442 4.912 4.470 0.000 0.000 0.302 279 S C 0.080 174.697 174.600 0.029 0.000 1.096 279 S CA -0.738 57.482 58.200 0.033 0.000 0.953 279 S CB 2.493 65.682 63.200 -0.017 0.000 1.107 279 S HN 0.412 nan 8.310 nan 0.000 0.503 280 K N 2.244 122.623 120.400 -0.035 0.000 2.684 280 K HA 0.240 4.560 4.320 0.000 0.000 0.215 280 K C -0.618 175.840 176.600 -0.236 0.000 1.073 280 K CA -0.057 56.204 56.287 -0.043 0.000 1.197 280 K CB -0.790 31.700 32.500 -0.016 0.000 0.955 280 K HN 0.769 nan 8.250 nan 0.000 0.473 281 S N -1.760 113.663 115.700 -0.462 0.000 2.678 281 S HA 0.098 4.568 4.470 0.000 0.000 0.290 281 S C -0.978 173.217 174.600 -0.674 0.000 1.047 281 S CA -0.987 56.750 58.200 -0.772 0.000 0.851 281 S CB 0.704 63.686 63.200 -0.364 0.000 1.058 281 S HN 0.084 nan 8.310 nan 0.000 0.451 282 S N 1.765 117.038 115.700 -0.712 0.000 2.422 282 S HA 0.716 5.186 4.470 0.000 0.000 0.308 282 S C 0.033 174.570 174.600 -0.105 0.000 1.097 282 S CA -0.281 57.810 58.200 -0.181 0.000 1.099 282 S CB 0.576 63.875 63.200 0.164 0.000 0.976 282 S HN 0.893 nan 8.310 nan 0.000 0.471 283 T N 3.321 117.834 114.554 -0.069 0.000 2.897 283 T HA 0.374 4.724 4.350 0.000 0.000 0.278 283 T C -0.165 174.520 174.700 -0.024 0.000 0.981 283 T CA -0.795 61.277 62.100 -0.048 0.000 0.973 283 T CB 0.783 69.625 68.868 -0.044 0.000 1.092 283 T HN 0.704 nan 8.240 nan 0.000 0.543 284 Q N 1.406 121.194 119.800 -0.020 0.000 2.490 284 Q HA 0.377 4.717 4.340 0.000 0.000 0.226 284 Q C -0.324 175.668 176.000 -0.012 0.000 1.132 284 Q CA -0.225 55.570 55.803 -0.014 0.000 0.928 284 Q CB 0.613 29.345 28.738 -0.011 0.000 1.299 284 Q HN 0.510 nan 8.270 nan 0.000 0.528 285 S N 0.114 115.806 115.700 -0.012 0.000 2.677 285 S HA 0.177 4.647 4.470 0.000 0.000 0.290 285 S C 1.002 175.597 174.600 -0.008 0.000 1.124 285 S CA -0.590 57.605 58.200 -0.008 0.000 1.017 285 S CB 1.071 64.267 63.200 -0.007 0.000 1.215 285 S HN 0.685 nan 8.310 nan 0.000 0.524 286 S N -0.014 115.684 115.700 -0.003 0.000 2.710 286 S HA 0.254 4.724 4.470 0.000 0.000 0.224 286 S C 0.126 174.724 174.600 -0.003 0.000 0.948 286 S CA -0.179 58.021 58.200 -0.000 0.000 0.949 286 S CB -0.890 62.313 63.200 0.005 0.000 0.778 286 S HN 0.486 nan 8.310 nan 0.000 0.498 287 I N 2.435 122.998 120.570 -0.013 0.000 2.301 287 I HA 0.329 4.499 4.170 0.000 0.000 0.292 287 I C 1.498 177.581 176.117 -0.057 0.000 1.046 287 I CA -0.835 60.447 61.300 -0.030 0.000 1.282 287 I CB 0.845 38.822 38.000 -0.039 0.000 1.409 287 I HN 0.073 nan 8.210 nan 0.000 0.484 288 R N 3.418 123.884 120.500 -0.057 0.000 2.075 288 R HA 0.019 4.359 4.340 0.000 0.000 0.232 288 R C 0.295 176.514 176.300 -0.135 0.000 1.126 288 R CA 0.990 57.050 56.100 -0.066 0.000 0.963 288 R CB -0.179 30.102 30.300 -0.031 0.000 0.858 288 R HN 0.594 nan 8.270 nan 0.000 0.435 289 N N 0.600 119.143 118.700 -0.261 0.000 2.438 289 N HA 0.074 4.814 4.740 0.000 0.000 0.282 289 N C -1.086 174.116 175.510 -0.513 0.000 1.037 289 N CA 0.127 52.865 53.050 -0.520 0.000 0.942 289 N CB 1.952 39.740 38.487 -1.165 0.000 1.136 289 N HN -0.098 nan 8.380 nan 0.000 0.481 290 S N 2.713 118.202 115.700 -0.352 0.000 2.614 290 S HA 0.433 4.903 4.470 0.000 0.000 0.259 290 S C -1.319 173.185 174.600 -0.160 0.000 1.118 290 S CA -0.624 57.463 58.200 -0.188 0.000 1.065 290 S CB 0.001 63.181 63.200 -0.033 0.000 1.121 290 S HN 0.349 nan 8.310 nan 0.000 0.458 291 L N 3.799 124.922 121.223 -0.166 0.000 2.346 291 L HA 0.598 4.938 4.340 0.000 0.000 0.274 291 L C 0.531 177.213 176.870 -0.312 0.000 1.007 291 L CA -0.853 53.876 54.840 -0.185 0.000 0.818 291 L CB 1.693 43.704 42.059 -0.080 0.000 1.284 291 L HN 0.531 nan 8.230 nan 0.000 0.424 292 Q N 0.656 120.211 119.800 -0.409 0.000 2.316 292 Q HA 0.706 5.046 4.340 0.000 0.000 0.215 292 Q C 0.054 175.917 176.000 -0.227 0.000 1.020 292 Q CA 0.039 55.537 55.803 -0.507 0.000 0.970 292 Q CB 1.590 30.058 28.738 -0.450 0.000 1.187 292 Q HN 0.878 nan 8.270 nan 0.000 0.546 293 G N 0.011 108.715 108.800 -0.159 0.000 2.347 293 G HA2 0.039 3.999 3.960 0.000 0.000 0.321 293 G HA3 0.039 3.999 3.960 0.000 0.000 0.321 293 G C -1.563 173.325 174.900 -0.019 0.000 1.412 293 G CA -1.001 44.060 45.100 -0.066 0.000 0.990 293 G HN 0.469 nan 8.290 nan 0.000 0.637 294 R N -1.149 119.354 120.500 0.004 0.000 2.797 294 R HA 0.763 5.103 4.340 0.000 0.000 0.251 294 R C 0.042 176.366 176.300 0.038 0.000 1.107 294 R CA -0.910 55.206 56.100 0.027 0.000 1.084 294 R CB 1.545 31.860 30.300 0.025 0.000 1.205 294 R HN 0.422 nan 8.270 nan 0.000 0.515 295 V N 0.555 120.500 119.914 0.051 0.000 2.732 295 V HA 0.106 4.226 4.120 0.000 0.000 0.297 295 V C 0.640 176.773 176.094 0.065 0.000 1.060 295 V CA -0.030 62.309 62.300 0.066 0.000 1.038 295 V CB 1.404 33.271 31.823 0.073 0.000 1.003 295 V HN 0.862 nan 8.190 nan 0.000 0.481 296 T N 2.070 116.674 114.554 0.083 0.000 3.082 296 T HA 0.209 4.559 4.350 0.000 0.000 0.235 296 T C 0.365 175.136 174.700 0.118 0.000 0.991 296 T CA 0.415 62.567 62.100 0.087 0.000 1.220 296 T CB 0.241 69.159 68.868 0.084 0.000 0.909 296 T HN 0.731 nan 8.240 nan 0.000 0.424 297 E N -0.261 120.052 120.200 0.187 0.000 2.383 297 E HA 0.662 5.012 4.350 0.000 0.000 0.275 297 E C -1.700 175.082 176.600 0.303 0.000 0.918 297 E CA -0.770 55.767 56.400 0.228 0.000 0.764 297 E CB 2.461 32.385 29.700 0.373 0.000 1.252 297 E HN 0.251 nan 8.360 nan 0.000 0.449 298 A N 2.271 125.195 122.820 0.173 0.000 2.360 298 A HA 0.368 4.688 4.320 0.000 0.000 0.309 298 A C -1.579 176.077 177.584 0.121 0.000 1.311 298 A CA -0.548 51.605 52.037 0.193 0.000 0.805 298 A CB 0.009 19.062 19.000 0.089 0.000 1.144 298 A HN 0.513 nan 8.150 nan 0.000 0.486 299 W N 3.261 124.594 121.300 0.054 0.000 2.226 299 W HA 0.416 5.076 4.660 0.000 0.000 0.379 299 W C 0.019 176.524 176.519 -0.023 0.000 0.923 299 W CA -0.732 56.621 57.345 0.012 0.000 1.524 299 W CB 0.310 29.765 29.460 -0.008 0.000 1.552 299 W HN 0.389 nan 8.180 nan 0.000 0.337 300 V N 5.546 125.520 119.914 0.100 0.000 2.509 300 V HA -0.132 3.988 4.120 0.000 0.000 0.297 300 V C 0.630 176.762 176.094 0.065 0.000 1.014 300 V CA 0.325 62.662 62.300 0.062 0.000 1.127 300 V CB -0.356 31.478 31.823 0.017 0.000 0.925 300 V HN 0.481 nan 8.190 nan 0.000 0.480 301 L N 5.278 126.529 121.223 0.048 0.000 2.783 301 L HA 0.756 5.096 4.340 0.000 0.000 0.205 301 L C 1.604 178.482 176.870 0.014 0.000 1.985 301 L CA 1.185 56.041 54.840 0.027 0.000 2.546 301 L CB 0.302 42.355 42.059 -0.009 0.000 2.829 301 L HN 0.546 nan 8.230 nan 0.000 0.614 302 G N -0.784 108.017 108.800 0.003 0.000 2.688 302 G HA2 0.043 4.003 3.960 0.000 0.000 0.211 302 G HA3 0.043 4.003 3.960 0.000 0.000 0.211 302 G C 0.935 175.838 174.900 0.004 0.000 1.399 302 G CA 0.850 45.952 45.100 0.003 0.000 0.901 302 G HN 0.753 nan 8.290 nan 0.000 0.555 303 A N -1.008 121.814 122.820 0.002 0.000 2.115 303 A HA 0.560 4.880 4.320 0.000 0.000 0.211 303 A C 1.208 178.796 177.584 0.008 0.000 1.169 303 A CA -0.026 52.014 52.037 0.005 0.000 0.787 303 A CB -0.080 18.922 19.000 0.004 0.000 0.858 303 A HN 0.290 nan 8.150 nan 0.000 0.474 304 L N -0.531 120.694 121.223 0.002 0.000 2.400 304 L HA 0.560 4.900 4.340 0.000 0.000 0.264 304 L C -0.822 176.054 176.870 0.010 0.000 1.061 304 L CA -0.872 53.970 54.840 0.004 0.000 0.799 304 L CB 1.635 43.688 42.059 -0.011 0.000 1.240 304 L HN -0.068 nan 8.230 nan 0.000 0.461 305 V N 1.115 121.043 119.914 0.022 0.000 2.462 305 V HA 0.338 4.458 4.120 0.000 0.000 0.288 305 V C -0.136 175.999 176.094 0.068 0.000 1.020 305 V CA -0.673 61.657 62.300 0.051 0.000 0.857 305 V CB 1.438 33.300 31.823 0.065 0.000 1.013 305 V HN 0.641 nan 8.190 nan 0.000 0.431 306 R N 2.423 122.951 120.500 0.046 0.000 2.643 306 R HA 0.657 4.997 4.340 0.000 0.000 0.270 306 R C -0.896 175.577 176.300 0.288 0.000 1.061 306 R CA -0.119 56.011 56.100 0.050 0.000 1.107 306 R CB 1.273 31.309 30.300 -0.440 0.000 0.999 306 R HN 0.500 nan 8.270 nan 0.000 0.460 307 V N 2.587 122.720 119.914 0.365 0.000 2.777 307 V HA 0.249 4.369 4.120 0.000 0.000 0.306 307 V C -0.666 175.576 176.094 0.246 0.000 1.112 307 V CA -0.925 61.558 62.300 0.304 0.000 0.917 307 V CB 2.210 34.150 31.823 0.195 0.000 1.018 307 V HN 0.653 nan 8.190 nan 0.000 0.426 308 K N 2.749 123.272 120.400 0.205 0.000 2.235 308 K HA 0.794 5.114 4.320 0.000 0.000 0.266 308 K C -1.181 175.461 176.600 0.070 0.000 0.980 308 K CA -0.444 55.885 56.287 0.069 0.000 0.849 308 K CB 2.051 34.588 32.500 0.061 0.000 1.098 308 K HN 0.485 nan 8.250 nan 0.000 0.445 309 V N 1.959 121.892 119.914 0.031 0.000 2.815 309 V HA 0.224 4.344 4.120 0.000 0.000 0.314 309 V C -0.564 175.536 176.094 0.010 0.000 1.064 309 V CA -0.840 61.482 62.300 0.036 0.000 0.952 309 V CB 1.955 33.807 31.823 0.047 0.000 1.020 309 V HN 0.707 nan 8.190 nan 0.000 0.439 310 D N 1.966 122.372 120.400 0.010 0.000 2.460 310 D HA 0.322 4.962 4.640 0.000 0.000 0.232 310 D C -0.465 175.828 176.300 -0.013 0.000 1.079 310 D CA -0.211 53.787 54.000 -0.004 0.000 0.864 310 D CB 1.185 41.986 40.800 0.001 0.000 1.048 310 D HN 0.587 nan 8.370 nan 0.000 0.523 311 C N 2.793 122.083 119.300 -0.017 0.000 2.513 311 C HA 0.580 5.040 4.460 0.000 0.000 0.281 311 C C 1.585 176.557 174.990 -0.030 0.000 1.501 311 C CA -0.119 58.881 59.018 -0.030 0.000 1.749 311 C CB -0.566 27.163 27.740 -0.018 0.000 2.955 311 C HN 0.867 nan 8.230 nan 0.000 0.532 312 G N 0.770 109.552 108.800 -0.029 0.000 2.304 312 G HA2 -0.223 3.737 3.960 0.000 0.000 0.252 312 G HA3 -0.223 3.737 3.960 0.000 0.000 0.252 312 G C 0.033 174.916 174.900 -0.029 0.000 1.014 312 G CA 0.588 45.670 45.100 -0.028 0.000 0.619 312 G HN 0.572 nan 8.290 nan 0.000 0.525 313 V N 1.854 121.752 119.914 -0.027 0.000 2.569 313 V HA 0.509 4.629 4.120 0.000 0.000 0.301 313 V C -2.332 173.737 176.094 -0.043 0.000 1.044 313 V CA -1.562 60.716 62.300 -0.037 0.000 0.874 313 V CB 2.344 34.148 31.823 -0.032 0.000 1.002 313 V HN 0.094 nan 8.190 nan 0.000 0.424 314 P HA 0.248 nan 4.420 nan 0.000 0.262 314 P C -0.925 176.314 177.300 -0.101 0.000 1.199 314 P CA 0.330 63.386 63.100 -0.073 0.000 0.763 314 P CB 0.349 32.000 31.700 -0.082 0.000 0.790 315 L N 3.933 125.101 121.223 -0.092 0.000 2.386 315 L HA 0.398 4.738 4.340 0.000 0.000 0.271 315 L C 0.047 176.833 176.870 -0.141 0.000 0.993 315 L CA -0.730 54.043 54.840 -0.111 0.000 0.819 315 L CB 2.107 44.140 42.059 -0.042 0.000 1.294 315 L HN 0.240 nan 8.230 nan 0.000 0.414 316 N N 2.674 121.246 118.700 -0.213 0.000 2.462 316 N HA 0.341 5.081 4.740 0.000 0.000 0.242 316 N C -0.682 174.821 175.510 -0.011 0.000 1.010 316 N CA -0.146 52.738 53.050 -0.277 0.000 0.939 316 N CB 2.147 40.240 38.487 -0.657 0.000 1.127 316 N HN 0.165 nan 8.380 nan 0.000 0.509 317 V N 2.263 122.239 119.914 0.104 0.000 2.732 317 V HA 0.475 4.595 4.120 0.000 0.000 0.310 317 V C -0.062 176.150 176.094 0.196 0.000 1.053 317 V CA -0.850 61.531 62.300 0.134 0.000 0.957 317 V CB 2.080 33.971 31.823 0.115 0.000 1.018 317 V HN 0.380 nan 8.190 nan 0.000 0.452 318 L N 3.989 125.295 121.223 0.137 0.000 2.365 318 L HA 0.719 5.059 4.340 0.000 0.000 0.273 318 L C -0.746 176.169 176.870 0.076 0.000 1.000 318 L CA 0.065 54.965 54.840 0.101 0.000 0.819 318 L CB 1.466 43.569 42.059 0.072 0.000 1.284 318 L HN 0.543 nan 8.230 nan 0.000 0.418 319 I N 1.601 122.208 120.570 0.063 0.000 2.894 319 I HA 0.350 4.520 4.170 0.000 0.000 0.302 319 I C -0.219 175.921 176.117 0.039 0.000 1.188 319 I CA -0.877 60.456 61.300 0.054 0.000 1.014 319 I CB 2.639 40.677 38.000 0.064 0.000 1.242 319 I HN 0.660 nan 8.210 nan 0.000 0.430 320 T N 0.733 115.307 114.554 0.034 0.000 2.902 320 T HA 0.093 4.443 4.350 0.000 0.000 0.301 320 T C 1.091 175.807 174.700 0.027 0.000 1.012 320 T CA -0.251 61.864 62.100 0.025 0.000 1.151 320 T CB 1.004 69.885 68.868 0.023 0.000 0.946 320 T HN 0.775 nan 8.240 nan 0.000 0.542 321 R N 1.755 122.268 120.500 0.023 0.000 2.117 321 R HA -0.206 4.134 4.340 0.000 0.000 0.243 321 R C 2.436 178.750 176.300 0.023 0.000 1.143 321 R CA 1.640 57.755 56.100 0.024 0.000 0.968 321 R CB -0.204 30.107 30.300 0.018 0.000 0.863 321 R HN 0.705 nan 8.270 nan 0.000 0.444 322 R N -0.015 120.497 120.500 0.019 0.000 2.081 322 R HA -0.002 4.338 4.340 0.000 0.000 0.235 322 R C 2.162 178.474 176.300 0.020 0.000 1.131 322 R CA 2.103 58.214 56.100 0.017 0.000 0.960 322 R CB -0.266 30.043 30.300 0.015 0.000 0.856 322 R HN 0.146 nan 8.270 nan 0.000 0.436 323 S N -0.117 115.598 115.700 0.024 0.000 2.402 323 S HA -0.052 4.418 4.470 0.000 0.000 0.229 323 S C 1.815 176.434 174.600 0.031 0.000 1.021 323 S CA 0.922 59.139 58.200 0.027 0.000 0.974 323 S CB -0.156 63.063 63.200 0.031 0.000 0.800 323 S HN 0.546 nan 8.310 nan 0.000 0.484 324 A N 1.268 124.109 122.820 0.035 0.000 2.070 324 A HA -0.105 4.215 4.320 0.000 0.000 0.220 324 A C 1.914 179.517 177.584 0.032 0.000 1.159 324 A CA 1.134 53.195 52.037 0.039 0.000 0.656 324 A CB -0.262 18.764 19.000 0.044 0.000 0.800 324 A HN 0.556 nan 8.150 nan 0.000 0.453 325 E N -0.644 119.571 120.200 0.025 0.000 2.251 325 E HA -0.055 4.295 4.350 0.000 0.000 0.194 325 E C 1.623 178.234 176.600 0.018 0.000 0.964 325 E CA 0.514 56.925 56.400 0.019 0.000 0.868 325 E CB -0.075 29.634 29.700 0.015 0.000 0.828 325 E HN 0.721 nan 8.360 nan 0.000 0.481 326 E N 0.490 120.701 120.200 0.018 0.000 2.204 326 E HA -0.075 4.275 4.350 0.000 0.000 0.194 326 E C 1.082 177.693 176.600 0.018 0.000 0.989 326 E CA 0.661 57.070 56.400 0.016 0.000 0.824 326 E CB 0.132 29.841 29.700 0.015 0.000 0.756 326 E HN 0.215 nan 8.360 nan 0.000 0.477 327 M N 0.209 119.823 119.600 0.023 0.000 2.544 327 M HA 0.194 4.674 4.480 0.000 0.000 0.239 327 M C -0.318 175.999 176.300 0.028 0.000 1.030 327 M CA -0.331 54.985 55.300 0.027 0.000 1.193 327 M CB 1.083 33.703 32.600 0.035 0.000 1.346 327 M HN -0.237 nan 8.290 nan 0.000 0.651 328 E N 0.949 121.169 120.200 0.033 0.000 2.158 328 E HA 0.227 4.577 4.350 0.000 0.000 0.271 328 E C -0.381 176.242 176.600 0.038 0.000 0.911 328 E CA -0.381 56.038 56.400 0.032 0.000 0.767 328 E CB 2.008 31.726 29.700 0.029 0.000 1.120 328 E HN 0.371 nan 8.360 nan 0.000 0.405 329 L N 1.978 123.221 121.223 0.034 0.000 2.552 329 L HA 0.035 4.375 4.340 0.000 0.000 0.227 329 L C 0.244 177.135 176.870 0.035 0.000 1.146 329 L CA 0.795 55.658 54.840 0.038 0.000 0.858 329 L CB 0.160 42.235 42.059 0.027 0.000 0.969 329 L HN 0.352 nan 8.230 nan 0.000 0.451 330 S N 1.864 117.582 115.700 0.030 0.000 2.811 330 S HA 0.004 4.474 4.470 0.000 0.000 0.325 330 S C -2.154 172.467 174.600 0.034 0.000 1.224 330 S CA -0.569 57.647 58.200 0.026 0.000 1.125 330 S CB -0.089 63.126 63.200 0.024 0.000 0.867 330 S HN 0.118 nan 8.310 nan 0.000 0.512 331 P HA 0.222 nan 4.420 nan 0.000 0.259 331 P C 0.800 178.120 177.300 0.034 0.000 1.635 331 P CA 0.439 63.561 63.100 0.037 0.000 1.199 331 P CB -0.173 31.544 31.700 0.028 0.000 1.850 332 G N 0.658 109.480 108.800 0.038 0.000 3.732 332 G HA2 -0.101 3.859 3.960 0.000 0.000 0.220 332 G HA3 -0.101 3.859 3.960 0.000 0.000 0.220 332 G C -0.110 174.811 174.900 0.035 0.000 0.903 332 G CA -0.500 44.620 45.100 0.033 0.000 0.896 332 G HN 0.278 nan 8.290 nan 0.000 0.685 333 V N 1.830 121.769 119.914 0.041 0.000 2.655 333 V HA 0.253 4.373 4.120 0.000 0.000 0.300 333 V C 1.111 177.237 176.094 0.055 0.000 1.044 333 V CA -0.001 62.326 62.300 0.046 0.000 1.095 333 V CB 1.465 33.317 31.823 0.049 0.000 0.952 333 V HN 0.474 nan 8.190 nan 0.000 0.485 334 Q N 2.849 122.686 119.800 0.061 0.000 2.361 334 Q HA 0.443 4.783 4.340 0.000 0.000 0.276 334 Q C -0.780 175.289 176.000 0.115 0.000 1.022 334 Q CA 0.335 56.185 55.803 0.078 0.000 0.898 334 Q CB 0.612 29.406 28.738 0.093 0.000 1.246 334 Q HN 0.671 nan 8.270 nan 0.000 0.410 335 I N 1.972 122.617 120.570 0.125 0.000 3.004 335 I HA 0.242 4.412 4.170 0.000 0.000 0.305 335 I C -1.750 174.482 176.117 0.192 0.000 1.312 335 I CA -0.905 60.501 61.300 0.176 0.000 0.992 335 I CB 1.969 40.033 38.000 0.107 0.000 1.282 335 I HN 0.612 nan 8.210 nan 0.000 0.449 336 Y N 3.389 123.700 120.300 0.019 0.000 2.376 336 Y HA 0.576 5.126 4.550 0.000 0.000 0.326 336 Y C 0.268 176.181 175.900 0.022 0.000 0.970 336 Y CA -0.832 57.274 58.100 0.010 0.000 1.248 336 Y CB 1.867 40.325 38.460 -0.003 0.000 1.117 336 Y HN 0.459 nan 8.280 nan 0.000 0.476 337 A N 6.072 128.946 122.820 0.089 0.000 2.343 337 A HA 0.607 4.927 4.320 0.000 0.000 0.305 337 A C -0.117 177.516 177.584 0.081 0.000 1.308 337 A CA -0.749 51.360 52.037 0.120 0.000 0.949 337 A CB -0.159 18.922 19.000 0.136 0.000 1.148 337 A HN 0.756 nan 8.150 nan 0.000 0.545 338 R N 2.114 122.666 120.500 0.088 0.000 2.437 338 R HA 0.724 5.064 4.340 0.000 0.000 0.310 338 R C -1.411 174.928 176.300 0.065 0.000 0.955 338 R CA -0.469 55.608 56.100 -0.038 0.000 0.851 338 R CB 1.117 31.415 30.300 -0.004 0.000 1.161 338 R HN 0.581 nan 8.270 nan 0.000 0.446 339 F N -1.004 118.966 119.950 0.033 0.000 2.578 339 F HA 0.524 5.051 4.527 0.000 0.000 0.311 339 F C -0.281 175.535 175.800 0.027 0.000 1.094 339 F CA -1.718 56.299 58.000 0.029 0.000 0.923 339 F CB 1.475 40.489 39.000 0.025 0.000 1.230 339 F HN 0.381 nan 8.300 nan 0.000 0.450 340 K N 1.727 122.273 120.400 0.244 0.000 2.448 340 K HA 0.427 4.747 4.320 0.000 0.000 0.278 340 K C 0.965 177.698 176.600 0.221 0.000 1.009 340 K CA 0.533 56.913 56.287 0.154 0.000 0.995 340 K CB 1.243 33.813 32.500 0.117 0.000 0.917 340 K HN 0.937 nan 8.250 nan 0.000 0.481 341 A N 2.596 125.497 122.820 0.136 0.000 1.929 341 A HA -0.107 4.213 4.320 0.000 0.000 0.216 341 A C 1.704 179.364 177.584 0.127 0.000 1.176 341 A CA 1.671 53.796 52.037 0.147 0.000 0.628 341 A CB -0.469 18.578 19.000 0.078 0.000 0.816 341 A HN 0.820 nan 8.150 nan 0.000 0.444 342 S N 0.229 115.986 115.700 0.095 0.000 2.607 342 S HA 0.016 4.486 4.470 0.000 0.000 0.224 342 S C 1.166 175.815 174.600 0.082 0.000 0.969 342 S CA 0.833 59.079 58.200 0.078 0.000 0.927 342 S CB -0.442 62.791 63.200 0.055 0.000 0.772 342 S HN 0.735 nan 8.310 nan 0.000 0.533 343 S N -0.218 115.544 115.700 0.104 0.000 2.593 343 S HA 0.371 4.841 4.470 0.000 0.000 0.236 343 S C 0.014 174.670 174.600 0.093 0.000 0.991 343 S CA -0.509 57.744 58.200 0.087 0.000 0.963 343 S CB 0.160 63.411 63.200 0.086 0.000 0.865 343 S HN 0.236 nan 8.310 nan 0.000 0.488 344 V N 3.319 123.304 119.914 0.118 0.000 2.311 344 V HA 0.367 4.487 4.120 0.000 0.000 0.275 344 V C -0.395 175.793 176.094 0.157 0.000 1.022 344 V CA -0.608 61.757 62.300 0.109 0.000 0.830 344 V CB 0.258 32.148 31.823 0.113 0.000 1.012 344 V HN 0.523 nan 8.190 nan 0.000 0.452 345 H N 4.371 123.480 119.070 0.065 0.000 2.620 345 H HA 0.576 5.132 4.556 0.000 0.000 0.313 345 H C -0.683 174.706 175.328 0.103 0.000 1.075 345 H CA -0.157 55.918 56.048 0.045 0.000 1.397 345 H CB 1.370 31.120 29.762 -0.020 0.000 1.446 345 H HN 0.392 nan 8.280 nan 0.000 0.493 346 V N 7.396 127.142 119.914 -0.280 0.000 2.459 346 V HA 0.334 4.454 4.120 0.000 0.000 0.295 346 V C -0.123 175.790 176.094 -0.301 0.000 1.029 346 V CA -0.729 61.471 62.300 -0.167 0.000 0.874 346 V CB 1.450 33.240 31.823 -0.055 0.000 0.985 346 V HN 0.645 nan 8.190 nan 0.000 0.438 347 L N 4.446 125.613 121.223 -0.093 0.000 2.323 347 L HA 0.762 5.102 4.340 0.000 0.000 0.265 347 L C -0.129 176.780 176.870 0.065 0.000 1.012 347 L CA -0.632 54.160 54.840 -0.080 0.000 0.820 347 L CB 2.381 44.382 42.059 -0.097 0.000 1.334 347 L HN 0.655 nan 8.230 nan 0.000 0.427 348 R N 0.000 120.514 120.500 0.023 0.000 2.786 348 R HA 0.000 4.340 4.340 0.000 0.000 0.208 348 R CA 0.000 56.138 56.100 0.064 0.000 0.921 348 R CB 0.000 30.319 30.300 0.032 0.000 0.687 348 R HN 0.000 nan 8.270 nan 0.000 0.535