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 1h3f_1_A DATA FIRST_RESID 5 DATA SEQUENCE GHTPEEALAL LKRGAEEIVP EEELLAKLKE GRPLTVKLGA DPTRPDLHLG DATA SEQUENCE HAVVLRKMRQ FQELGHKVVL IIGDFXXXXX XXXXXXXXXX XXXXXXTREN DATA SEQUENCE AKTYVAQAGK ILRQEPHLFE LRYNSEWLEG LTFKEVVRLT SLMTVAQMLE DATA SEQUENCE REDFKKRYEA GIPISLHELL YPFAQAYDSV AIRADVEMGG TDQRFNLLVG DATA SEQUENCE REVQRAYGQS PQVCFLMPLL VGLDGREKMS KSLDNYIGLT EPPEAMFKKL DATA SEQUENCE MRVPDPLLPS YFRLLTDLEE EEIEALLKAG PVPAHRVLAR LLTAAYALPQ DATA SEQUENCE IPPRIDRAFY ESLGYAWEAF GRDKEAGPEE VRRAEARYDE VAKXXXXEEI DATA SEQUENCE PEVTIPASEL KEGRIWVARL FTLAGLTPSN AEARRLIQNR GLRLDGEVLT DATA SEQUENCE DPMLQVDLSR PRILQRGKDR FVRVRLSD 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 5 G HA2 0.000 nan 3.960 nan 0.000 0.244 5 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 5 G C 0.000 174.749 174.900 -0.252 0.000 0.946 5 G CA 0.000 45.064 45.100 -0.060 0.000 0.502 6 H N 0.603 119.679 119.070 0.010 0.000 2.771 6 H HA 0.614 5.170 4.556 -0.000 0.000 0.361 6 H C 0.381 175.722 175.328 0.023 0.000 1.108 6 H CA -0.060 55.997 56.048 0.015 0.000 1.201 6 H CB 1.748 31.521 29.762 0.019 0.000 1.681 6 H HN 0.212 nan 8.280 nan 0.000 0.534 7 T N -0.116 114.509 114.554 0.118 0.000 2.816 7 T HA 0.154 4.504 4.350 -0.000 0.000 0.282 7 T C -1.676 173.084 174.700 0.100 0.000 0.993 7 T CA -1.760 60.389 62.100 0.083 0.000 0.994 7 T CB 1.175 70.072 68.868 0.049 0.000 1.025 7 T HN 0.264 nan 8.240 nan 0.000 0.529 8 P HA -0.061 nan 4.420 nan 0.000 0.215 8 P C 1.276 178.614 177.300 0.063 0.000 1.153 8 P CA 1.015 64.161 63.100 0.078 0.000 0.853 8 P CB 0.034 31.771 31.700 0.063 0.000 0.788 9 E N -0.162 120.069 120.200 0.051 0.000 2.077 9 E HA -0.184 4.166 4.350 -0.000 0.000 0.193 9 E C 1.916 178.544 176.600 0.046 0.000 0.989 9 E CA 1.251 57.675 56.400 0.040 0.000 0.800 9 E CB -0.817 28.901 29.700 0.030 0.000 0.746 9 E HN 0.434 nan 8.360 nan 0.000 0.452 10 E N 0.357 120.597 120.200 0.068 0.000 2.106 10 E HA -0.127 4.223 4.350 -0.000 0.000 0.192 10 E C 2.070 178.725 176.600 0.092 0.000 0.984 10 E CA 0.895 57.352 56.400 0.095 0.000 0.806 10 E CB -0.177 29.606 29.700 0.138 0.000 0.750 10 E HN 0.272 nan 8.360 nan 0.000 0.458 11 A N 1.518 124.386 122.820 0.081 0.000 1.877 11 A HA -0.184 4.136 4.320 -0.000 0.000 0.216 11 A C 2.210 179.778 177.584 -0.027 0.000 1.186 11 A CA 1.171 53.209 52.037 0.001 0.000 0.620 11 A CB -0.618 18.410 19.000 0.046 0.000 0.822 11 A HN 0.235 nan 8.150 nan 0.000 0.443 12 L N -0.100 121.127 121.223 0.008 0.000 2.012 12 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 12 L C 2.664 179.533 176.870 -0.003 0.000 1.073 12 L CA 2.384 57.227 54.840 0.005 0.000 0.748 12 L CB -0.854 41.216 42.059 0.017 0.000 0.891 12 L HN 0.350 nan 8.230 nan 0.000 0.431 13 A N -0.571 122.252 122.820 0.006 0.000 1.908 13 A HA -0.196 4.124 4.320 -0.000 0.000 0.218 13 A C 2.307 179.889 177.584 -0.002 0.000 1.181 13 A CA 2.137 54.177 52.037 0.005 0.000 0.627 13 A CB -0.915 18.095 19.000 0.017 0.000 0.818 13 A HN 0.532 nan 8.150 nan 0.000 0.445 14 L N -0.877 120.336 121.223 -0.016 0.000 2.027 14 L HA -0.146 4.194 4.340 -0.000 0.000 0.206 14 L C 2.578 179.413 176.870 -0.058 0.000 1.074 14 L CA 1.090 55.906 54.840 -0.040 0.000 0.745 14 L CB -0.487 41.523 42.059 -0.081 0.000 0.898 14 L HN 0.383 nan 8.230 nan 0.000 0.433 15 L N -0.371 120.799 121.223 -0.088 0.000 2.083 15 L HA -0.230 4.110 4.340 -0.000 0.000 0.209 15 L C 2.546 179.494 176.870 0.130 0.000 1.083 15 L CA 1.304 56.102 54.840 -0.070 0.000 0.752 15 L CB -0.462 41.501 42.059 -0.160 0.000 0.899 15 L HN 0.232 nan 8.230 nan 0.000 0.433 16 K N -0.027 120.406 120.400 0.056 0.000 2.211 16 K HA -0.067 4.253 4.320 -0.000 0.000 0.203 16 K C 0.610 177.229 176.600 0.032 0.000 1.050 16 K CA 0.410 56.709 56.287 0.021 0.000 0.945 16 K CB -0.082 32.405 32.500 -0.021 0.000 0.732 16 K HN 0.270 nan 8.250 nan 0.000 0.451 17 R N 0.513 121.032 120.500 0.031 0.000 2.480 17 R HA -0.059 4.281 4.340 -0.000 0.000 0.303 17 R C 0.956 177.287 176.300 0.052 0.000 0.985 17 R CA 0.806 56.924 56.100 0.030 0.000 1.051 17 R CB 0.082 30.394 30.300 0.019 0.000 0.935 17 R HN 0.511 nan 8.270 nan 0.000 0.410 18 G N 1.675 110.503 108.800 0.046 0.000 2.234 18 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.260 18 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.260 18 G C 0.321 175.266 174.900 0.074 0.000 0.987 18 G CA 0.083 45.218 45.100 0.058 0.000 0.625 18 G HN 0.868 nan 8.290 nan 0.000 0.532 19 A N 0.108 122.977 122.820 0.082 0.000 2.462 19 A HA 0.625 4.945 4.320 -0.000 0.000 0.243 19 A C 1.155 178.738 177.584 -0.002 0.000 1.076 19 A CA 1.439 53.517 52.037 0.068 0.000 0.773 19 A CB 0.541 19.504 19.000 -0.062 0.000 1.010 19 A HN 0.761 nan 8.150 nan 0.000 0.493 20 E N 1.030 121.230 120.200 -0.001 0.000 2.075 20 E HA 0.050 4.400 4.350 -0.000 0.000 0.190 20 E C 0.449 177.016 176.600 -0.056 0.000 0.969 20 E CA 1.477 57.869 56.400 -0.013 0.000 0.815 20 E CB 0.147 29.853 29.700 0.010 0.000 0.776 20 E HN 0.751 nan 8.360 nan 0.000 0.457 21 E N -0.540 119.599 120.200 -0.101 0.000 2.381 21 E HA 0.329 4.679 4.350 -0.000 0.000 0.286 21 E C -1.532 174.921 176.600 -0.245 0.000 0.960 21 E CA -0.432 55.886 56.400 -0.137 0.000 0.793 21 E CB 0.978 30.633 29.700 -0.074 0.000 1.225 21 E HN 0.136 nan 8.360 nan 0.000 0.420 22 I N 4.638 125.039 120.570 -0.282 0.000 2.410 22 I HA 0.362 4.532 4.170 -0.000 0.000 0.286 22 I C -0.692 175.322 176.117 -0.171 0.000 1.009 22 I CA -1.087 60.002 61.300 -0.351 0.000 1.111 22 I CB 1.708 39.417 38.000 -0.485 0.000 1.262 22 I HN 0.341 nan 8.210 nan 0.000 0.443 23 V N 5.196 125.043 119.914 -0.111 0.000 2.482 23 V HA 0.669 4.789 4.120 -0.000 0.000 0.295 23 V C -2.837 173.232 176.094 -0.041 0.000 1.026 23 V CA -1.922 60.339 62.300 -0.065 0.000 0.856 23 V CB 1.558 33.349 31.823 -0.052 0.000 1.001 23 V HN 0.468 nan 8.190 nan 0.000 0.424 24 P HA 0.395 nan 4.420 nan 0.000 0.300 24 P C 0.368 177.645 177.300 -0.037 0.000 1.326 24 P CA -0.251 62.827 63.100 -0.036 0.000 0.844 24 P CB 2.627 34.312 31.700 -0.025 0.000 0.992 25 E N 2.705 122.874 120.200 -0.052 0.000 2.118 25 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 25 E C 1.534 178.120 176.600 -0.022 0.000 0.992 25 E CA 1.529 57.898 56.400 -0.051 0.000 0.804 25 E CB 0.094 29.755 29.700 -0.064 0.000 0.741 25 E HN 0.595 nan 8.360 nan 0.000 0.458 26 E N 0.283 120.472 120.200 -0.018 0.000 2.204 26 E HA -0.244 4.106 4.350 -0.000 0.000 0.195 26 E C 1.984 178.584 176.600 -0.001 0.000 0.990 26 E CA 1.160 57.555 56.400 -0.008 0.000 0.821 26 E CB -0.193 29.502 29.700 -0.008 0.000 0.750 26 E HN 0.334 nan 8.360 nan 0.000 0.477 27 E N 0.473 120.671 120.200 -0.003 0.000 2.107 27 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 27 E C 2.089 178.696 176.600 0.013 0.000 0.982 27 E CA 0.554 56.954 56.400 0.001 0.000 0.809 27 E CB 0.030 29.728 29.700 -0.004 0.000 0.756 27 E HN 0.284 nan 8.360 nan 0.000 0.459 28 L N 1.117 122.353 121.223 0.022 0.000 2.046 28 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 28 L C 2.248 179.145 176.870 0.045 0.000 1.077 28 L CA 1.338 56.208 54.840 0.051 0.000 0.747 28 L CB -0.710 41.400 42.059 0.086 0.000 0.896 28 L HN 0.247 nan 8.230 nan 0.000 0.432 29 L N 0.032 121.273 121.223 0.031 0.000 2.012 29 L HA -0.122 4.218 4.340 -0.000 0.000 0.210 29 L C 2.521 179.409 176.870 0.031 0.000 1.073 29 L CA 2.215 57.073 54.840 0.030 0.000 0.748 29 L CB -1.242 40.828 42.059 0.019 0.000 0.891 29 L HN 0.287 nan 8.230 nan 0.000 0.431 30 A N -0.756 122.077 122.820 0.022 0.000 1.908 30 A HA -0.251 4.069 4.320 -0.000 0.000 0.218 30 A C 2.380 179.980 177.584 0.026 0.000 1.181 30 A CA 2.073 54.123 52.037 0.021 0.000 0.627 30 A CB -0.557 18.450 19.000 0.012 0.000 0.818 30 A HN 0.524 nan 8.150 nan 0.000 0.445 31 K N -0.603 119.812 120.400 0.025 0.000 2.148 31 K HA 0.046 4.366 4.320 -0.000 0.000 0.204 31 K C 1.733 178.362 176.600 0.048 0.000 1.050 31 K CA 1.056 57.359 56.287 0.025 0.000 0.942 31 K CB -0.287 32.218 32.500 0.009 0.000 0.724 31 K HN 0.474 nan 8.250 nan 0.000 0.446 32 L N 0.760 122.017 121.223 0.056 0.000 2.201 32 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 32 L C 1.904 178.833 176.870 0.098 0.000 1.105 32 L CA 1.128 56.024 54.840 0.094 0.000 0.775 32 L CB -0.154 41.957 42.059 0.086 0.000 0.913 32 L HN 0.073 nan 8.230 nan 0.000 0.440 33 K N -0.087 120.353 120.400 0.067 0.000 2.366 33 K HA -0.087 4.233 4.320 -0.000 0.000 0.198 33 K C 1.677 178.309 176.600 0.053 0.000 1.044 33 K CA 0.494 56.815 56.287 0.056 0.000 0.973 33 K CB 0.089 32.613 32.500 0.040 0.000 0.767 33 K HN 0.335 nan 8.250 nan 0.000 0.475 34 E N 0.154 120.387 120.200 0.056 0.000 2.265 34 E HA -0.098 4.252 4.350 -0.000 0.000 0.196 34 E C 0.786 177.418 176.600 0.053 0.000 0.996 34 E CA 0.575 57.003 56.400 0.047 0.000 0.832 34 E CB -0.023 29.702 29.700 0.042 0.000 0.756 34 E HN 0.465 nan 8.360 nan 0.000 0.491 35 G N 2.139 110.982 108.800 0.072 0.000 2.225 35 G HA2 -0.326 3.634 3.960 -0.000 0.000 0.264 35 G HA3 -0.326 3.634 3.960 -0.000 0.000 0.264 35 G C -0.013 174.923 174.900 0.061 0.000 1.060 35 G CA 0.714 45.853 45.100 0.065 0.000 0.833 35 G HN 0.349 nan 8.290 nan 0.000 0.498 36 R N -1.494 119.054 120.500 0.080 0.000 2.808 36 R HA 0.733 5.073 4.340 -0.000 0.000 0.272 36 R C -3.272 173.088 176.300 0.101 0.000 0.995 36 R CA -2.195 53.944 56.100 0.065 0.000 0.917 36 R CB 1.180 31.508 30.300 0.046 0.000 1.217 36 R HN 0.014 nan 8.270 nan 0.000 0.471 37 P HA 0.156 nan 4.420 nan 0.000 0.276 37 P C -0.673 176.713 177.300 0.144 0.000 1.253 37 P CA -0.202 62.944 63.100 0.075 0.000 0.766 37 P CB 0.562 32.211 31.700 -0.085 0.000 0.845 38 L N 2.439 123.865 121.223 0.337 0.000 2.395 38 L HA 0.268 4.608 4.340 -0.000 0.000 0.269 38 L C 0.750 177.578 176.870 -0.071 0.000 1.133 38 L CA -0.187 54.675 54.840 0.036 0.000 0.812 38 L CB 0.444 42.420 42.059 -0.139 0.000 1.125 38 L HN 0.273 nan 8.230 nan 0.000 0.452 39 T N 2.407 116.884 114.554 -0.129 0.000 2.727 39 T HA 0.295 4.645 4.350 -0.000 0.000 0.298 39 T C -0.055 174.503 174.700 -0.236 0.000 0.942 39 T CA -0.342 61.660 62.100 -0.163 0.000 0.997 39 T CB 0.622 69.402 68.868 -0.147 0.000 0.917 39 T HN 0.204 nan 8.240 nan 0.000 0.487 40 V N 5.353 125.095 119.914 -0.286 0.000 2.350 40 V HA 0.364 4.484 4.120 -0.000 0.000 0.276 40 V C 0.450 176.402 176.094 -0.237 0.000 1.028 40 V CA -0.867 61.207 62.300 -0.378 0.000 0.860 40 V CB 1.102 32.555 31.823 -0.617 0.000 0.990 40 V HN 0.686 nan 8.190 nan 0.000 0.453 41 K N 4.716 124.999 120.400 -0.195 0.000 2.172 41 K HA 0.678 4.998 4.320 -0.000 0.000 0.276 41 K C -1.422 175.126 176.600 -0.087 0.000 1.013 41 K CA -0.638 55.572 56.287 -0.129 0.000 0.913 41 K CB 1.388 33.818 32.500 -0.116 0.000 1.055 41 K HN 0.512 nan 8.250 nan 0.000 0.461 42 L N 2.938 124.127 121.223 -0.057 0.000 2.476 42 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 42 L C -0.962 175.891 176.870 -0.029 0.000 0.965 42 L CA -0.035 54.793 54.840 -0.021 0.000 0.845 42 L CB 1.933 44.003 42.059 0.018 0.000 1.259 42 L HN 0.713 nan 8.230 nan 0.000 0.403 43 G N 3.352 112.134 108.800 -0.031 0.000 2.371 43 G HA2 0.793 4.753 3.960 -0.000 0.000 0.326 43 G HA3 0.793 4.753 3.960 -0.000 0.000 0.326 43 G C -1.341 173.495 174.900 -0.106 0.000 1.127 43 G CA -0.112 44.950 45.100 -0.063 0.000 0.885 43 G HN 1.004 nan 8.290 nan 0.000 0.477 44 A N 1.711 124.397 122.820 -0.224 0.000 2.422 44 A HA 0.612 4.932 4.320 -0.000 0.000 0.302 44 A C -0.985 176.396 177.584 -0.339 0.000 1.041 44 A CA -0.674 51.158 52.037 -0.341 0.000 0.708 44 A CB 1.857 20.389 19.000 -0.781 0.000 1.257 44 A HN 0.655 nan 8.150 nan 0.000 0.414 45 D N 2.993 123.254 120.400 -0.232 0.000 2.317 45 D HA 0.373 5.013 4.640 -0.000 0.000 0.252 45 D C -1.735 174.456 176.300 -0.182 0.000 1.174 45 D CA -1.777 52.119 54.000 -0.173 0.000 0.866 45 D CB 1.295 42.032 40.800 -0.106 0.000 1.127 45 D HN 0.119 nan 8.370 nan 0.000 0.467 46 P HA -0.123 nan 4.420 nan 0.000 0.222 46 P C 1.078 178.346 177.300 -0.053 0.000 1.142 46 P CA 1.298 64.333 63.100 -0.108 0.000 0.788 46 P CB 0.014 31.674 31.700 -0.066 0.000 0.767 47 T N -4.294 110.230 114.554 -0.051 0.000 3.113 47 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 47 T C 0.973 175.666 174.700 -0.011 0.000 1.143 47 T CA 0.512 62.597 62.100 -0.025 0.000 1.090 47 T CB -0.343 68.511 68.868 -0.024 0.000 0.922 47 T HN -0.107 nan 8.240 nan 0.000 0.521 48 R N 1.716 122.209 120.500 -0.012 0.000 2.651 48 R HA 0.373 4.713 4.340 -0.000 0.000 0.282 48 R C -1.801 174.513 176.300 0.023 0.000 1.565 48 R CA -2.254 53.850 56.100 0.007 0.000 1.661 48 R CB 1.147 31.468 30.300 0.036 0.000 1.189 48 R HN 0.235 nan 8.270 nan 0.000 0.621 49 P HA -0.087 nan 4.420 nan 0.000 0.214 49 P C -0.554 176.735 177.300 -0.019 0.000 1.162 49 P CA 0.824 63.968 63.100 0.073 0.000 0.874 49 P CB 0.243 31.970 31.700 0.044 0.000 0.784 50 D N 0.551 120.916 120.400 -0.058 0.000 2.425 50 D HA 0.204 4.844 4.640 -0.000 0.000 0.247 50 D C 0.186 176.368 176.300 -0.195 0.000 1.147 50 D CA 0.414 54.353 54.000 -0.101 0.000 0.879 50 D CB 0.239 41.008 40.800 -0.052 0.000 1.179 50 D HN 0.062 nan 8.370 nan 0.000 0.456 51 L N 2.723 123.792 121.223 -0.257 0.000 2.343 51 L HA 0.530 4.870 4.340 -0.000 0.000 0.275 51 L C 0.136 176.975 176.870 -0.052 0.000 1.056 51 L CA -0.883 53.748 54.840 -0.348 0.000 0.804 51 L CB 1.017 42.808 42.059 -0.448 0.000 1.203 51 L HN 0.615 nan 8.230 nan 0.000 0.440 52 H N -0.754 118.481 119.070 0.275 0.000 2.908 52 H HA 0.429 4.985 4.556 -0.000 0.000 0.350 52 H C 0.442 175.760 175.328 -0.017 0.000 1.217 52 H CA -1.072 55.027 56.048 0.085 0.000 1.168 52 H CB 0.715 30.532 29.762 0.091 0.000 1.891 52 H HN 0.351 nan 8.280 nan 0.000 0.566 53 L N 0.121 121.426 121.223 0.136 0.000 2.189 53 L HA -0.144 4.196 4.340 -0.000 0.000 0.214 53 L C 2.450 179.329 176.870 0.015 0.000 1.097 53 L CA 1.701 56.519 54.840 -0.037 0.000 0.764 53 L CB -0.763 41.226 42.059 -0.117 0.000 0.900 53 L HN 0.996 nan 8.230 nan 0.000 0.436 54 G N -0.838 108.112 108.800 0.250 0.000 2.440 54 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.218 54 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.218 54 G C 1.137 175.972 174.900 -0.107 0.000 1.154 54 G CA 0.889 46.023 45.100 0.057 0.000 0.767 54 G HN 0.482 nan 8.290 nan 0.000 0.552 55 H N 0.419 119.416 119.070 -0.121 0.000 2.491 55 H HA 0.264 4.820 4.556 -0.000 0.000 0.290 55 H C 2.734 178.011 175.328 -0.086 0.000 1.050 55 H CA 0.717 56.673 56.048 -0.154 0.000 1.309 55 H CB 0.087 29.683 29.762 -0.278 0.000 1.392 55 H HN 0.421 nan 8.280 nan 0.000 0.554 56 A N 0.618 123.452 122.820 0.023 0.000 2.067 56 A HA -0.105 4.215 4.320 -0.000 0.000 0.219 56 A C 2.402 180.007 177.584 0.034 0.000 1.158 56 A CA 1.106 53.160 52.037 0.028 0.000 0.661 56 A CB -0.633 18.375 19.000 0.013 0.000 0.801 56 A HN 0.241 nan 8.150 nan 0.000 0.452 57 V N -0.625 119.295 119.914 0.010 0.000 2.233 57 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 57 V C 2.520 178.636 176.094 0.036 0.000 1.050 57 V CA 2.199 64.508 62.300 0.014 0.000 1.010 57 V CB -0.913 30.909 31.823 -0.002 0.000 0.637 57 V HN 0.363 nan 8.190 nan 0.000 0.444 58 V N -0.435 119.506 119.914 0.045 0.000 2.379 58 V HA -0.186 3.934 4.120 -0.000 0.000 0.245 58 V C 2.287 178.406 176.094 0.042 0.000 1.044 58 V CA 1.741 64.072 62.300 0.052 0.000 1.036 58 V CB -0.423 31.440 31.823 0.066 0.000 0.664 58 V HN 0.432 nan 8.190 nan 0.000 0.453 59 L N -0.593 120.659 121.223 0.049 0.000 2.083 59 L HA -0.176 4.164 4.340 -0.000 0.000 0.209 59 L C 2.720 179.610 176.870 0.032 0.000 1.083 59 L CA 1.630 56.495 54.840 0.042 0.000 0.752 59 L CB -0.585 41.491 42.059 0.030 0.000 0.899 59 L HN 0.227 nan 8.230 nan 0.000 0.433 60 R N -0.123 120.396 120.500 0.031 0.000 2.148 60 R HA -0.154 4.186 4.340 -0.000 0.000 0.223 60 R C 2.253 178.551 176.300 -0.004 0.000 1.088 60 R CA 0.822 56.931 56.100 0.015 0.000 0.985 60 R CB -0.138 30.176 30.300 0.023 0.000 0.880 60 R HN 0.080 nan 8.270 nan 0.000 0.451 61 K N 1.103 121.499 120.400 -0.007 0.000 2.148 61 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 61 K C 1.815 178.410 176.600 -0.008 0.000 1.050 61 K CA 1.429 57.681 56.287 -0.057 0.000 0.942 61 K CB -0.023 32.427 32.500 -0.082 0.000 0.724 61 K HN 0.043 nan 8.250 nan 0.000 0.446 62 M N -0.318 119.313 119.600 0.052 0.000 2.200 62 M HA -0.058 4.422 4.480 -0.000 0.000 0.265 62 M C 2.079 178.451 176.300 0.121 0.000 1.066 62 M CA 1.359 56.735 55.300 0.128 0.000 1.127 62 M CB -0.109 32.533 32.600 0.069 0.000 1.379 62 M HN -0.015 nan 8.290 nan 0.000 0.420 63 R N 0.798 121.330 120.500 0.053 0.000 2.096 63 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 63 R C 1.944 178.257 176.300 0.022 0.000 1.127 63 R CA 1.823 57.939 56.100 0.028 0.000 0.968 63 R CB -0.587 29.706 30.300 -0.012 0.000 0.861 63 R HN 0.482 nan 8.270 nan 0.000 0.440 64 Q N -1.129 118.663 119.800 -0.012 0.000 2.084 64 Q HA -0.149 4.191 4.340 -0.000 0.000 0.202 64 Q C 1.614 177.587 176.000 -0.044 0.000 0.978 64 Q CA 1.766 57.524 55.803 -0.075 0.000 0.844 64 Q CB -0.205 28.438 28.738 -0.158 0.000 0.898 64 Q HN 0.376 nan 8.270 nan 0.000 0.426 65 F N 1.136 121.059 119.950 -0.045 0.000 2.126 65 F HA -0.227 4.300 4.527 -0.001 0.000 0.299 65 F C 2.412 178.262 175.800 0.083 0.000 1.096 65 F CA 1.686 59.702 58.000 0.027 0.000 1.255 65 F CB -0.244 38.728 39.000 -0.046 0.000 0.997 65 F HN 0.197 nan 8.300 nan 0.000 0.479 66 Q N -0.306 119.630 119.800 0.226 0.000 2.050 66 Q HA -0.188 4.152 4.340 -0.000 0.000 0.202 66 Q C 2.041 178.083 176.000 0.069 0.000 0.980 66 Q CA 1.412 57.292 55.803 0.128 0.000 0.840 66 Q CB -0.286 28.509 28.738 0.095 0.000 0.898 66 Q HN 0.335 nan 8.270 nan 0.000 0.424 67 E N 0.579 120.802 120.200 0.038 0.000 2.265 67 E HA -0.115 4.235 4.350 -0.000 0.000 0.196 67 E C 1.643 178.231 176.600 -0.019 0.000 0.996 67 E CA 0.753 57.155 56.400 0.003 0.000 0.832 67 E CB 0.062 29.748 29.700 -0.023 0.000 0.756 67 E HN 0.410 nan 8.360 nan 0.000 0.491 68 L N -0.510 120.704 121.223 -0.015 0.000 2.592 68 L HA 0.133 4.473 4.340 -0.000 0.000 0.227 68 L C 1.236 177.997 176.870 -0.181 0.000 1.127 68 L CA 0.411 55.216 54.840 -0.058 0.000 0.884 68 L CB 0.045 42.127 42.059 0.038 0.000 1.065 68 L HN 0.208 nan 8.230 nan 0.000 0.457 69 G N -0.963 107.754 108.800 -0.138 0.000 2.157 69 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.239 69 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.239 69 G C 0.184 174.888 174.900 -0.327 0.000 0.982 69 G CA -0.434 44.552 45.100 -0.189 0.000 0.650 69 G HN 0.376 nan 8.290 nan 0.000 0.527 70 H N 0.073 119.180 119.070 0.061 0.000 2.488 70 H HA 0.516 5.072 4.556 -0.000 0.000 0.347 70 H C 0.218 175.513 175.328 -0.054 0.000 1.174 70 H CA -0.007 56.047 56.048 0.010 0.000 1.307 70 H CB 1.474 31.295 29.762 0.099 0.000 1.517 70 H HN 0.264 nan 8.280 nan 0.000 0.554 71 K N 1.618 122.016 120.400 -0.004 0.000 2.213 71 K HA 0.340 4.660 4.320 -0.000 0.000 0.270 71 K C -0.997 175.555 176.600 -0.079 0.000 1.002 71 K CA -0.568 55.676 56.287 -0.071 0.000 0.868 71 K CB 0.910 33.325 32.500 -0.141 0.000 1.093 71 K HN 0.218 nan 8.250 nan 0.000 0.454 72 V N 4.597 124.494 119.914 -0.029 0.000 2.481 72 V HA 0.257 4.377 4.120 -0.000 0.000 0.286 72 V C -0.475 175.526 176.094 -0.156 0.000 1.042 72 V CA -0.729 61.544 62.300 -0.045 0.000 0.928 72 V CB 1.658 33.553 31.823 0.119 0.000 0.986 72 V HN 0.515 nan 8.190 nan 0.000 0.462 73 V N 6.330 126.134 119.914 -0.182 0.000 2.350 73 V HA 0.362 4.482 4.120 -0.000 0.000 0.285 73 V C -0.411 175.565 176.094 -0.197 0.000 1.014 73 V CA -0.543 61.611 62.300 -0.244 0.000 0.831 73 V CB 1.480 33.196 31.823 -0.178 0.000 1.000 73 V HN 0.640 nan 8.190 nan 0.000 0.433 74 L N 7.390 128.446 121.223 -0.280 0.000 2.257 74 L HA 0.581 4.921 4.340 -0.000 0.000 0.290 74 L C -0.328 176.440 176.870 -0.169 0.000 1.044 74 L CA 0.320 55.080 54.840 -0.133 0.000 0.810 74 L CB 0.732 42.803 42.059 0.019 0.000 1.193 74 L HN 0.514 nan 8.230 nan 0.000 0.425 75 I N 6.509 127.004 120.570 -0.125 0.000 2.307 75 I HA 0.270 4.440 4.170 -0.000 0.000 0.289 75 I C -0.275 175.706 176.117 -0.227 0.000 1.021 75 I CA -0.628 60.597 61.300 -0.125 0.000 1.224 75 I CB 1.056 39.069 38.000 0.022 0.000 1.376 75 I HN 0.383 nan 8.210 nan 0.000 0.470 76 I N 5.462 125.805 120.570 -0.377 0.000 2.396 76 I HA 0.105 4.275 4.170 -0.000 0.000 0.289 76 I C 1.286 177.264 176.117 -0.232 0.000 1.056 76 I CA 0.156 61.216 61.300 -0.401 0.000 1.365 76 I CB 0.925 38.558 38.000 -0.611 0.000 1.407 76 I HN 0.661 nan 8.210 nan 0.000 0.509 77 G N 5.811 114.504 108.800 -0.178 0.000 3.458 77 G HA2 0.036 3.996 3.960 -0.000 0.000 0.256 77 G HA3 0.036 3.996 3.960 -0.000 0.000 0.256 77 G C 0.932 175.802 174.900 -0.051 0.000 0.938 77 G CA -0.373 44.672 45.100 -0.092 0.000 1.890 77 G HN 0.761 nan 8.290 nan 0.000 0.639 78 D N 0.199 120.599 120.400 -0.000 0.000 2.263 78 D HA -0.112 4.528 4.640 -0.000 0.000 0.208 78 D C 0.807 177.125 176.300 0.030 0.000 0.971 78 D CA 0.076 54.097 54.000 0.035 0.000 0.867 78 D CB 0.000 40.873 40.800 0.121 0.000 0.929 78 D HN 0.350 nan 8.370 nan 0.000 0.492 102 R N 1.818 122.339 120.500 0.036 0.000 2.117 102 R HA -0.027 4.313 4.340 -0.000 0.000 0.243 102 R C 1.980 178.318 176.300 0.063 0.000 1.143 102 R CA 1.720 57.847 56.100 0.045 0.000 0.968 102 R CB -0.523 29.769 30.300 -0.013 0.000 0.863 102 R HN 0.639 nan 8.270 nan 0.000 0.444 103 E N 0.345 120.570 120.200 0.041 0.000 2.006 103 E HA -0.115 4.235 4.350 -0.000 0.000 0.192 103 E C 1.796 178.428 176.600 0.053 0.000 0.993 103 E CA 0.938 57.362 56.400 0.040 0.000 0.808 103 E CB -0.129 29.587 29.700 0.025 0.000 0.764 103 E HN 0.334 nan 8.360 nan 0.000 0.449 104 N N 0.991 119.719 118.700 0.048 0.000 2.149 104 N HA -0.181 4.559 4.740 -0.000 0.000 0.188 104 N C 1.772 177.334 175.510 0.086 0.000 1.019 104 N CA 1.258 54.340 53.050 0.053 0.000 0.857 104 N CB -0.424 38.081 38.487 0.031 0.000 0.997 104 N HN 0.131 nan 8.380 nan 0.000 0.426 105 A N 1.737 124.614 122.820 0.096 0.000 1.892 105 A HA -0.183 4.137 4.320 -0.000 0.000 0.218 105 A C 2.197 179.871 177.584 0.150 0.000 1.188 105 A CA 1.562 53.675 52.037 0.126 0.000 0.631 105 A CB -0.464 18.680 19.000 0.241 0.000 0.822 105 A HN 0.265 nan 8.150 nan 0.000 0.447 106 K N -1.154 119.322 120.400 0.126 0.000 2.097 106 K HA -0.088 4.231 4.320 -0.000 0.000 0.206 106 K C 2.118 178.766 176.600 0.079 0.000 1.049 106 K CA 1.666 58.015 56.287 0.104 0.000 0.933 106 K CB -0.322 32.225 32.500 0.078 0.000 0.717 106 K HN 0.516 nan 8.250 nan 0.000 0.442 107 T N 0.295 114.892 114.554 0.073 0.000 2.737 107 T HA -0.172 4.178 4.350 -0.000 0.000 0.265 107 T C 1.561 176.278 174.700 0.029 0.000 1.038 107 T CA 1.174 63.298 62.100 0.041 0.000 1.144 107 T CB -0.385 68.504 68.868 0.035 0.000 0.866 107 T HN 0.261 nan 8.240 nan 0.000 0.434 108 Y N 1.848 122.120 120.300 -0.047 0.000 2.145 108 Y HA -0.140 4.410 4.550 -0.000 0.000 0.286 108 Y C 2.287 178.153 175.900 -0.056 0.000 1.145 108 Y CA 0.808 58.860 58.100 -0.080 0.000 1.148 108 Y CB -0.610 37.794 38.460 -0.094 0.000 0.981 108 Y HN -0.042 nan 8.280 nan 0.000 0.507 109 V N 0.443 120.481 119.914 0.206 0.000 2.343 109 V HA -0.315 3.805 4.120 -0.000 0.000 0.247 109 V C 2.669 178.759 176.094 -0.007 0.000 1.051 109 V CA 1.701 64.086 62.300 0.141 0.000 1.036 109 V CB -1.581 30.348 31.823 0.177 0.000 0.654 109 V HN 0.569 nan 8.190 nan 0.000 0.451 110 A N -0.712 122.102 122.820 -0.010 0.000 1.883 110 A HA -0.295 4.025 4.320 -0.000 0.000 0.217 110 A C 2.179 179.709 177.584 -0.090 0.000 1.186 110 A CA 2.024 54.038 52.037 -0.038 0.000 0.624 110 A CB -0.462 18.530 19.000 -0.014 0.000 0.822 110 A HN 0.623 nan 8.150 nan 0.000 0.444 111 Q N -0.981 118.733 119.800 -0.143 0.000 2.245 111 Q HA 0.061 4.401 4.340 -0.000 0.000 0.201 111 Q C 2.308 178.166 176.000 -0.236 0.000 0.955 111 Q CA 0.873 56.566 55.803 -0.182 0.000 0.870 111 Q CB -0.283 28.320 28.738 -0.225 0.000 0.945 111 Q HN 0.684 nan 8.270 nan 0.000 0.461 112 A N 0.823 123.448 122.820 -0.326 0.000 2.015 112 A HA -0.077 4.243 4.320 -0.000 0.000 0.219 112 A C 2.187 179.646 177.584 -0.209 0.000 1.163 112 A CA 1.418 53.275 52.037 -0.300 0.000 0.646 112 A CB -0.858 17.985 19.000 -0.262 0.000 0.806 112 A HN 0.457 nan 8.150 nan 0.000 0.448 113 G N -0.408 108.270 108.800 -0.204 0.000 2.559 113 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.216 113 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.216 113 G C 1.470 176.290 174.900 -0.133 0.000 1.126 113 G CA 0.827 45.802 45.100 -0.210 0.000 0.778 113 G HN 0.606 nan 8.290 nan 0.000 0.543 114 K N -0.518 119.831 120.400 -0.085 0.000 2.288 114 K HA 0.181 4.501 4.320 -0.000 0.000 0.201 114 K C 1.779 178.365 176.600 -0.024 0.000 1.048 114 K CA 0.534 56.806 56.287 -0.024 0.000 0.956 114 K CB 0.081 32.615 32.500 0.056 0.000 0.746 114 K HN 0.386 nan 8.250 nan 0.000 0.461 115 I N -0.133 120.412 120.570 -0.041 0.000 3.812 115 I HA 0.028 4.198 4.170 -0.000 0.000 0.292 115 I C 0.383 176.457 176.117 -0.072 0.000 1.206 115 I CA -0.092 61.189 61.300 -0.032 0.000 1.370 115 I CB 0.451 38.464 38.000 0.023 0.000 1.328 115 I HN -0.078 nan 8.210 nan 0.000 0.453 116 L N 1.917 123.071 121.223 -0.114 0.000 2.350 116 L HA 0.339 4.679 4.340 -0.000 0.000 0.275 116 L C 0.309 177.054 176.870 -0.208 0.000 1.099 116 L CA -0.354 54.401 54.840 -0.142 0.000 0.808 116 L CB 0.581 42.529 42.059 -0.185 0.000 1.149 116 L HN 0.119 nan 8.230 nan 0.000 0.442 117 R N 1.405 121.826 120.500 -0.133 0.000 2.641 117 R HA 0.109 4.449 4.340 -0.000 0.000 0.269 117 R C 0.266 176.432 176.300 -0.223 0.000 1.074 117 R CA -0.396 55.632 56.100 -0.120 0.000 1.133 117 R CB 0.757 31.041 30.300 -0.026 0.000 1.029 117 R HN 0.580 nan 8.270 nan 0.000 0.488 118 Q N 1.015 120.705 119.800 -0.182 0.000 2.217 118 Q HA 0.070 4.410 4.340 -0.000 0.000 0.217 118 Q C -0.518 175.538 176.000 0.093 0.000 0.844 118 Q CA 0.194 55.880 55.803 -0.195 0.000 0.957 118 Q CB 0.871 29.470 28.738 -0.231 0.000 1.127 118 Q HN 0.594 nan 8.270 nan 0.000 0.503 119 E N 1.920 122.177 120.200 0.096 0.000 2.413 119 E HA -0.036 4.314 4.350 -0.000 0.000 0.263 119 E C -1.697 175.013 176.600 0.183 0.000 1.015 119 E CA -1.176 55.300 56.400 0.126 0.000 0.916 119 E CB 0.459 30.224 29.700 0.108 0.000 0.947 119 E HN -0.083 nan 8.360 nan 0.000 0.440 120 P HA -0.247 nan 4.420 nan 0.000 0.216 120 P C 0.968 178.345 177.300 0.128 0.000 1.150 120 P CA 1.247 64.427 63.100 0.133 0.000 0.843 120 P CB 0.087 31.849 31.700 0.103 0.000 0.787 121 H N -0.550 118.551 119.070 0.051 0.000 2.491 121 H HA 0.002 4.558 4.556 -0.000 0.000 0.290 121 H C 1.165 176.519 175.328 0.043 0.000 1.050 121 H CA 1.062 57.130 56.048 0.034 0.000 1.309 121 H CB -0.026 29.749 29.762 0.022 0.000 1.392 121 H HN 0.144 nan 8.280 nan 0.000 0.554 122 L N -0.867 120.399 121.223 0.073 0.000 2.966 122 L HA 0.214 4.554 4.340 -0.000 0.000 0.262 122 L C -0.840 176.127 176.870 0.162 0.000 1.165 122 L CA -0.183 54.688 54.840 0.052 0.000 0.978 122 L CB 0.879 43.006 42.059 0.113 0.000 1.337 122 L HN -0.016 nan 8.230 nan 0.000 0.563 123 F N 0.866 120.806 119.950 -0.018 0.000 2.604 123 F HA 0.515 5.042 4.527 -0.000 0.000 0.316 123 F C -0.999 174.799 175.800 -0.005 0.000 1.136 123 F CA -0.577 57.417 58.000 -0.011 0.000 0.989 123 F CB 1.722 40.724 39.000 0.003 0.000 1.258 123 F HN -0.142 nan 8.300 nan 0.000 0.451 124 E N 5.418 125.123 120.200 -0.825 0.000 2.292 124 E HA 0.547 4.897 4.350 -0.000 0.000 0.272 124 E C -2.272 173.841 176.600 -0.810 0.000 0.881 124 E CA -1.001 55.046 56.400 -0.589 0.000 0.754 124 E CB 2.167 31.703 29.700 -0.275 0.000 1.201 124 E HN 0.674 nan 8.360 nan 0.000 0.425 125 L N 4.205 125.144 121.223 -0.473 0.000 2.296 125 L HA 0.588 4.928 4.340 -0.000 0.000 0.286 125 L C -1.232 175.546 176.870 -0.154 0.000 1.023 125 L CA -0.241 54.408 54.840 -0.318 0.000 0.812 125 L CB 0.906 42.911 42.059 -0.089 0.000 1.223 125 L HN 0.499 nan 8.230 nan 0.000 0.421 126 R N 3.953 124.340 120.500 -0.188 0.000 2.837 126 R HA 0.465 4.805 4.340 -0.000 0.000 0.271 126 R C -1.690 174.453 176.300 -0.262 0.000 0.993 126 R CA -0.683 55.392 56.100 -0.042 0.000 0.931 126 R CB 1.696 32.095 30.300 0.165 0.000 1.206 126 R HN 0.496 nan 8.270 nan 0.000 0.474 127 Y N 1.127 121.330 120.300 -0.161 0.000 2.341 127 Y HA 0.132 4.682 4.550 -0.000 0.000 0.338 127 Y C 1.322 176.861 175.900 -0.602 0.000 0.965 127 Y CA -0.968 56.978 58.100 -0.257 0.000 1.108 127 Y CB 1.302 39.653 38.460 -0.182 0.000 1.180 127 Y HN 0.615 nan 8.280 nan 0.000 0.458 128 N N -0.765 117.616 118.700 -0.531 0.000 2.520 128 N HA -0.177 4.563 4.740 -0.000 0.000 0.185 128 N C 1.346 176.269 175.510 -0.979 0.000 1.068 128 N CA 1.211 53.598 53.050 -1.105 0.000 0.911 128 N CB -0.437 37.797 38.487 -0.422 0.000 0.961 128 N HN 0.515 nan 8.380 nan 0.000 0.446 129 S N -0.212 115.235 115.700 -0.422 0.000 2.442 129 S HA -0.183 4.287 4.470 -0.000 0.000 0.236 129 S C 1.682 176.077 174.600 -0.341 0.000 1.007 129 S CA 0.720 58.771 58.200 -0.249 0.000 0.965 129 S CB -0.488 62.704 63.200 -0.012 0.000 0.773 129 S HN 0.496 nan 8.310 nan 0.000 0.504 130 E N 0.759 120.692 120.200 -0.445 0.000 2.130 130 E HA -0.204 4.146 4.350 -0.000 0.000 0.196 130 E C 1.563 178.113 176.600 -0.084 0.000 0.998 130 E CA 1.836 58.093 56.400 -0.238 0.000 0.806 130 E CB -0.163 29.436 29.700 -0.168 0.000 0.738 130 E HN 0.991 nan 8.360 nan 0.000 0.459 131 W N -1.330 119.965 121.300 -0.007 0.000 2.873 131 W HA 0.320 4.981 4.660 0.001 0.000 0.282 131 W C 1.423 177.883 176.519 -0.099 0.000 1.118 131 W CA -0.395 56.951 57.345 0.001 0.000 1.480 131 W CB -0.400 29.119 29.460 0.098 0.000 0.954 131 W HN -0.156 nan 8.180 nan 0.000 0.591 132 L N 1.196 122.203 121.223 -0.359 0.000 2.109 132 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 132 L C 2.474 178.989 176.870 -0.593 0.000 1.086 132 L CA 1.679 56.198 54.840 -0.536 0.000 0.760 132 L CB -0.646 40.778 42.059 -1.059 0.000 0.910 132 L HN 0.050 nan 8.230 nan 0.000 0.437 133 E N 0.111 120.039 120.200 -0.453 0.000 2.171 133 E HA -0.200 4.150 4.350 -0.000 0.000 0.197 133 E C 1.966 178.515 176.600 -0.085 0.000 0.997 133 E CA 1.092 57.389 56.400 -0.172 0.000 0.810 133 E CB -0.136 29.538 29.700 -0.042 0.000 0.738 133 E HN 0.535 nan 8.360 nan 0.000 0.467 134 G N 0.180 108.935 108.800 -0.074 0.000 2.985 134 G HA2 -0.010 3.950 3.960 -0.000 0.000 0.209 134 G HA3 -0.010 3.950 3.960 -0.000 0.000 0.209 134 G C 0.323 175.202 174.900 -0.034 0.000 1.165 134 G CA -0.395 44.691 45.100 -0.022 0.000 0.776 134 G HN 0.033 nan 8.290 nan 0.000 0.541 135 L N 3.328 124.493 121.223 -0.098 0.000 2.534 135 L HA 0.293 4.633 4.340 -0.000 0.000 0.271 135 L C 1.128 177.978 176.870 -0.034 0.000 1.178 135 L CA -0.039 54.726 54.840 -0.125 0.000 0.907 135 L CB 0.369 42.287 42.059 -0.234 0.000 1.164 135 L HN 0.144 nan 8.230 nan 0.000 0.482 136 T N 1.610 116.164 114.554 0.001 0.000 2.874 136 T HA 0.140 4.490 4.350 -0.000 0.000 0.281 136 T C 1.080 175.863 174.700 0.138 0.000 0.994 136 T CA -0.422 61.718 62.100 0.065 0.000 1.015 136 T CB 0.505 69.408 68.868 0.059 0.000 1.028 136 T HN 0.431 nan 8.240 nan 0.000 0.523 137 F N 1.367 121.306 119.950 -0.018 0.000 2.126 137 F HA -0.001 4.526 4.527 0.000 0.000 0.299 137 F C 2.309 178.094 175.800 -0.026 0.000 1.096 137 F CA 1.477 59.466 58.000 -0.018 0.000 1.255 137 F CB -0.595 38.398 39.000 -0.011 0.000 0.997 137 F HN 0.784 nan 8.300 nan 0.000 0.479 138 K N 0.349 120.737 120.400 -0.020 0.000 2.097 138 K HA -0.194 4.126 4.320 -0.000 0.000 0.206 138 K C 1.942 178.483 176.600 -0.098 0.000 1.049 138 K CA 1.809 58.008 56.287 -0.147 0.000 0.933 138 K CB -0.185 32.268 32.500 -0.078 0.000 0.717 138 K HN 0.376 nan 8.250 nan 0.000 0.442 139 E N 0.053 120.238 120.200 -0.025 0.000 2.106 139 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 139 E C 1.980 178.571 176.600 -0.014 0.000 0.984 139 E CA 1.231 57.628 56.400 -0.005 0.000 0.806 139 E CB 0.077 29.778 29.700 0.003 0.000 0.750 139 E HN 0.096 nan 8.360 nan 0.000 0.458 140 V N 1.084 120.998 119.914 -0.000 0.000 2.343 140 V HA -0.226 3.894 4.120 -0.000 0.000 0.247 140 V C 2.352 178.389 176.094 -0.096 0.000 1.051 140 V CA 1.236 63.536 62.300 0.002 0.000 1.036 140 V CB -0.362 31.544 31.823 0.138 0.000 0.654 140 V HN 0.128 nan 8.190 nan 0.000 0.451 141 V N -0.113 119.705 119.914 -0.160 0.000 2.287 141 V HA -0.294 3.826 4.120 -0.000 0.000 0.248 141 V C 2.604 178.596 176.094 -0.171 0.000 1.053 141 V CA 2.240 64.407 62.300 -0.223 0.000 1.027 141 V CB -0.755 30.867 31.823 -0.335 0.000 0.646 141 V HN 0.466 nan 8.190 nan 0.000 0.447 142 R N -0.584 119.839 120.500 -0.129 0.000 2.081 142 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 142 R C 2.296 178.554 176.300 -0.070 0.000 1.131 142 R CA 1.424 57.470 56.100 -0.090 0.000 0.960 142 R CB -0.416 29.843 30.300 -0.068 0.000 0.856 142 R HN 0.417 nan 8.270 nan 0.000 0.436 143 L N 0.048 121.236 121.223 -0.060 0.000 1.994 143 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 143 L C 2.640 179.267 176.870 -0.406 0.000 1.071 143 L CA 1.874 56.681 54.840 -0.054 0.000 0.745 143 L CB -0.856 41.216 42.059 0.022 0.000 0.892 143 L HN 0.395 nan 8.230 nan 0.000 0.431 144 T N -3.567 110.604 114.554 -0.639 0.000 2.962 144 T HA -0.132 4.218 4.350 -0.000 0.000 0.270 144 T C 1.891 176.401 174.700 -0.316 0.000 1.088 144 T CA 1.036 62.645 62.100 -0.818 0.000 1.127 144 T CB -0.495 68.058 68.868 -0.525 0.000 0.883 144 T HN 0.439 nan 8.240 nan 0.000 0.493 145 S N 1.480 117.070 115.700 -0.183 0.000 2.507 145 S HA 0.119 4.589 4.470 -0.000 0.000 0.235 145 S C 1.828 176.421 174.600 -0.012 0.000 0.988 145 S CA 0.226 58.378 58.200 -0.081 0.000 0.944 145 S CB -0.901 62.254 63.200 -0.075 0.000 0.762 145 S HN 0.569 nan 8.310 nan 0.000 0.526 146 L N 0.216 121.456 121.223 0.029 0.000 2.552 146 L HA 0.234 4.574 4.340 -0.000 0.000 0.227 146 L C 0.724 177.689 176.870 0.158 0.000 1.146 146 L CA 0.372 55.279 54.840 0.112 0.000 0.858 146 L CB -0.376 41.794 42.059 0.186 0.000 0.969 146 L HN 0.363 nan 8.230 nan 0.000 0.451 147 M N -0.813 118.901 119.600 0.191 0.000 2.619 147 M HA 0.351 4.831 4.480 -0.000 0.000 0.297 147 M C -0.076 176.310 176.300 0.144 0.000 1.229 147 M CA -0.367 55.062 55.300 0.215 0.000 0.860 147 M CB 2.058 34.894 32.600 0.394 0.000 1.741 147 M HN -0.093 nan 8.290 nan 0.000 0.462 148 T N -1.859 112.766 114.554 0.120 0.000 2.944 148 T HA 0.542 4.892 4.350 -0.000 0.000 0.284 148 T C 1.098 175.840 174.700 0.071 0.000 1.010 148 T CA -0.829 61.314 62.100 0.072 0.000 1.025 148 T CB 1.408 70.305 68.868 0.050 0.000 1.079 148 T HN 0.332 nan 8.240 nan 0.000 0.516 149 V N 1.542 121.470 119.914 0.023 0.000 2.332 149 V HA -0.137 3.983 4.120 -0.000 0.000 0.248 149 V C 3.095 179.167 176.094 -0.037 0.000 1.055 149 V CA 2.383 64.670 62.300 -0.021 0.000 1.038 149 V CB -1.595 30.193 31.823 -0.059 0.000 0.651 149 V HN 1.084 nan 8.190 nan 0.000 0.450 150 A N -0.886 121.923 122.820 -0.018 0.000 1.908 150 A HA -0.304 4.016 4.320 -0.000 0.000 0.218 150 A C 2.189 179.790 177.584 0.028 0.000 1.181 150 A CA 2.056 54.084 52.037 -0.015 0.000 0.627 150 A CB -0.481 18.521 19.000 0.004 0.000 0.818 150 A HN 0.632 nan 8.150 nan 0.000 0.445 151 Q N -1.323 118.523 119.800 0.078 0.000 2.050 151 Q HA -0.166 4.174 4.340 -0.000 0.000 0.202 151 Q C 2.238 178.366 176.000 0.214 0.000 0.980 151 Q CA 1.572 57.468 55.803 0.154 0.000 0.840 151 Q CB -0.289 28.555 28.738 0.176 0.000 0.898 151 Q HN 0.558 nan 8.270 nan 0.000 0.424 152 M N 0.318 120.029 119.600 0.186 0.000 2.080 152 M HA -0.141 4.339 4.480 -0.000 0.000 0.260 152 M C 2.006 178.314 176.300 0.014 0.000 1.068 152 M CA 1.432 56.828 55.300 0.161 0.000 1.109 152 M CB -0.910 31.754 32.600 0.107 0.000 1.342 152 M HN 0.235 nan 8.290 nan 0.000 0.405 153 L N 0.006 121.195 121.223 -0.057 0.000 2.675 153 L HA -0.110 4.230 4.340 -0.000 0.000 0.238 153 L C 1.978 178.839 176.870 -0.015 0.000 1.155 153 L CA 0.171 54.958 54.840 -0.088 0.000 0.881 153 L CB -0.489 41.418 42.059 -0.253 0.000 1.008 153 L HN 0.267 nan 8.230 nan 0.000 0.443 154 E N 0.308 120.504 120.200 -0.006 0.000 2.190 154 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 154 E C 0.966 177.526 176.600 -0.066 0.000 0.978 154 E CA 0.055 56.462 56.400 0.012 0.000 0.839 154 E CB 0.050 29.804 29.700 0.091 0.000 0.787 154 E HN 0.345 nan 8.360 nan 0.000 0.473 155 R N 2.569 122.891 120.500 -0.296 0.000 2.494 155 R HA -0.105 4.235 4.340 -0.000 0.000 0.291 155 R C 1.398 177.547 176.300 -0.251 0.000 0.953 155 R CA 0.415 56.194 56.100 -0.535 0.000 1.098 155 R CB 0.372 29.978 30.300 -1.156 0.000 0.911 155 R HN 0.149 nan 8.270 nan 0.000 0.407 156 E N 2.764 122.865 120.200 -0.166 0.000 2.095 156 E HA -0.404 3.946 4.350 -0.000 0.000 0.212 156 E C 1.068 177.609 176.600 -0.099 0.000 1.044 156 E CA 2.263 58.608 56.400 -0.093 0.000 0.857 156 E CB -0.371 29.290 29.700 -0.065 0.000 0.764 156 E HN 0.867 nan 8.360 nan 0.000 0.462 157 D N -0.421 119.863 120.400 -0.193 0.000 2.123 157 D HA -0.180 4.460 4.640 -0.000 0.000 0.196 157 D C 1.687 177.957 176.300 -0.049 0.000 0.992 157 D CA 1.388 55.288 54.000 -0.167 0.000 0.833 157 D CB -0.085 40.546 40.800 -0.282 0.000 0.954 157 D HN 0.184 nan 8.370 nan 0.000 0.455 158 F N 1.082 120.976 119.950 -0.094 0.000 2.146 158 F HA 0.021 4.548 4.527 -0.000 0.000 0.298 158 F C 2.363 178.157 175.800 -0.010 0.000 1.096 158 F CA 0.869 58.827 58.000 -0.070 0.000 1.275 158 F CB -0.916 37.995 39.000 -0.148 0.000 1.008 158 F HN -0.039 nan 8.300 nan 0.000 0.480 159 K N 0.444 120.943 120.400 0.165 0.000 2.032 159 K HA -0.203 4.117 4.320 -0.000 0.000 0.209 159 K C 2.141 178.817 176.600 0.128 0.000 1.048 159 K CA 1.386 57.750 56.287 0.128 0.000 0.927 159 K CB 0.044 32.582 32.500 0.065 0.000 0.712 159 K HN -0.022 nan 8.250 nan 0.000 0.441 160 K N 0.634 121.084 120.400 0.084 0.000 2.057 160 K HA -0.122 4.198 4.320 -0.000 0.000 0.207 160 K C 2.241 178.888 176.600 0.079 0.000 1.049 160 K CA 1.258 57.583 56.287 0.063 0.000 0.931 160 K CB -0.281 32.240 32.500 0.035 0.000 0.714 160 K HN 0.251 nan 8.250 nan 0.000 0.440 161 R N -0.409 120.158 120.500 0.112 0.000 2.066 161 R HA -0.132 4.208 4.340 -0.000 0.000 0.232 161 R C 2.370 178.742 176.300 0.120 0.000 1.131 161 R CA 1.293 57.462 56.100 0.114 0.000 0.955 161 R CB -0.496 29.897 30.300 0.155 0.000 0.851 161 R HN 0.191 nan 8.270 nan 0.000 0.432 162 Y N 2.135 122.458 120.300 0.038 0.000 2.207 162 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 162 Y C 1.747 177.652 175.900 0.010 0.000 1.156 162 Y CA 1.675 59.783 58.100 0.012 0.000 1.182 162 Y CB 0.029 38.491 38.460 0.003 0.000 0.979 162 Y HN 0.116 nan 8.280 nan 0.000 0.521 163 E N -0.875 119.341 120.200 0.027 0.000 2.216 163 E HA -0.002 4.348 4.350 -0.000 0.000 0.192 163 E C 1.862 178.421 176.600 -0.068 0.000 0.988 163 E CA 0.584 56.957 56.400 -0.045 0.000 0.834 163 E CB -0.103 29.618 29.700 0.035 0.000 0.772 163 E HN 0.452 nan 8.360 nan 0.000 0.479 164 A N 0.570 123.368 122.820 -0.037 0.000 2.278 164 A HA 0.292 4.612 4.320 -0.000 0.000 0.212 164 A C 1.642 179.194 177.584 -0.053 0.000 1.213 164 A CA 0.612 52.630 52.037 -0.032 0.000 0.840 164 A CB -0.364 18.635 19.000 -0.002 0.000 0.866 164 A HN 0.285 nan 8.150 nan 0.000 0.489 165 G N -0.473 108.264 108.800 -0.105 0.000 2.168 165 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 165 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 165 G C 0.081 174.948 174.900 -0.055 0.000 0.997 165 G CA 0.495 45.529 45.100 -0.110 0.000 0.708 165 G HN 0.524 nan 8.290 nan 0.000 0.520 166 I N 2.516 123.073 120.570 -0.023 0.000 2.342 166 I HA 0.265 4.435 4.170 -0.000 0.000 0.291 166 I C -1.232 174.903 176.117 0.031 0.000 1.010 166 I CA -2.261 59.046 61.300 0.012 0.000 1.308 166 I CB 1.157 39.176 38.000 0.032 0.000 1.400 166 I HN -0.047 nan 8.210 nan 0.000 0.488 167 P HA 0.147 nan 4.420 nan 0.000 0.266 167 P C -0.771 176.562 177.300 0.055 0.000 1.195 167 P CA 0.288 63.412 63.100 0.040 0.000 0.768 167 P CB 0.948 32.668 31.700 0.032 0.000 0.838 168 I N 1.281 121.875 120.570 0.039 0.000 2.439 168 I HA 0.118 4.288 4.170 -0.000 0.000 0.283 168 I C 0.692 176.781 176.117 -0.047 0.000 1.023 168 I CA -0.750 60.551 61.300 0.001 0.000 1.100 168 I CB 1.725 39.682 38.000 -0.071 0.000 1.238 168 I HN 0.280 nan 8.210 nan 0.000 0.445 169 S N 4.276 119.954 115.700 -0.037 0.000 2.549 169 S HA 0.086 4.556 4.470 -0.000 0.000 0.283 169 S C 1.053 175.576 174.600 -0.128 0.000 1.320 169 S CA -0.436 57.754 58.200 -0.016 0.000 1.058 169 S CB 0.624 63.901 63.200 0.128 0.000 0.882 169 S HN 0.567 nan 8.310 nan 0.000 0.498 170 L N 5.881 127.070 121.223 -0.056 0.000 2.127 170 L HA -0.121 4.219 4.340 -0.000 0.000 0.211 170 L C 2.155 178.961 176.870 -0.107 0.000 1.089 170 L CA 2.768 57.557 54.840 -0.086 0.000 0.757 170 L CB -1.127 40.916 42.059 -0.027 0.000 0.899 170 L HN 1.025 nan 8.230 nan 0.000 0.434 171 H N -2.032 116.973 119.070 -0.109 0.000 2.489 171 H HA -0.100 4.456 4.556 -0.000 0.000 0.293 171 H C 1.735 176.875 175.328 -0.314 0.000 1.066 171 H CA 1.495 57.424 56.048 -0.198 0.000 1.305 171 H CB -0.551 29.086 29.762 -0.210 0.000 1.386 171 H HN 0.538 nan 8.280 nan 0.000 0.551 172 E N 0.288 120.014 120.200 -0.790 0.000 2.153 172 E HA -0.103 4.247 4.350 -0.000 0.000 0.194 172 E C 1.412 177.999 176.600 -0.022 0.000 0.988 172 E CA 0.898 57.052 56.400 -0.410 0.000 0.811 172 E CB 0.014 29.616 29.700 -0.163 0.000 0.746 172 E HN 0.414 nan 8.360 nan 0.000 0.466 173 L N 0.371 121.541 121.223 -0.088 0.000 2.465 173 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 173 L C 1.904 178.947 176.870 0.288 0.000 1.145 173 L CA 0.985 55.874 54.840 0.081 0.000 0.834 173 L CB -0.106 41.926 42.059 -0.044 0.000 0.944 173 L HN 0.133 nan 8.230 nan 0.000 0.451 174 L N -2.993 118.326 121.223 0.160 0.000 2.307 174 L HA -0.095 4.245 4.340 -0.000 0.000 0.211 174 L C 2.213 179.332 176.870 0.416 0.000 1.099 174 L CA 0.283 55.302 54.840 0.297 0.000 0.816 174 L CB -0.476 41.642 42.059 0.099 0.000 0.952 174 L HN 0.171 nan 8.230 nan 0.000 0.455 175 Y N 0.545 121.026 120.300 0.301 0.000 2.207 175 Y HA -0.139 4.411 4.550 -0.000 0.000 0.287 175 Y C -0.112 175.909 175.900 0.202 0.000 1.156 175 Y CA 0.608 58.858 58.100 0.251 0.000 1.182 175 Y CB -2.175 36.402 38.460 0.195 0.000 0.979 175 Y HN 0.198 nan 8.280 nan 0.000 0.521 176 P HA -0.145 nan 4.420 nan 0.000 0.220 176 P C 1.297 178.563 177.300 -0.056 0.000 1.148 176 P CA 1.514 64.655 63.100 0.068 0.000 0.803 176 P CB -0.255 31.448 31.700 0.007 0.000 0.782 177 F N -0.493 119.597 119.950 0.234 0.000 2.367 177 F HA 0.025 4.552 4.527 -0.000 0.000 0.298 177 F C 2.384 178.320 175.800 0.228 0.000 1.094 177 F CA 0.934 59.053 58.000 0.199 0.000 1.409 177 F CB -1.271 37.836 39.000 0.179 0.000 1.064 177 F HN -0.115 nan 8.300 nan 0.000 0.528 178 A N -0.266 122.808 122.820 0.423 0.000 1.872 178 A HA -0.229 4.091 4.320 -0.000 0.000 0.214 178 A C 2.178 179.954 177.584 0.319 0.000 1.187 178 A CA 1.600 53.865 52.037 0.380 0.000 0.614 178 A CB -0.914 18.353 19.000 0.445 0.000 0.826 178 A HN 0.417 nan 8.150 nan 0.000 0.442 179 Q N -0.444 119.499 119.800 0.239 0.000 2.124 179 Q HA -0.128 4.212 4.340 -0.000 0.000 0.202 179 Q C 2.101 178.165 176.000 0.107 0.000 0.977 179 Q CA 1.656 57.551 55.803 0.153 0.000 0.850 179 Q CB -0.342 28.453 28.738 0.095 0.000 0.901 179 Q HN 0.590 nan 8.270 nan 0.000 0.429 180 A N -0.189 122.687 122.820 0.093 0.000 1.930 180 A HA -0.199 4.121 4.320 -0.000 0.000 0.217 180 A C 1.854 179.447 177.584 0.015 0.000 1.175 180 A CA 1.261 53.316 52.037 0.031 0.000 0.627 180 A CB -0.983 18.033 19.000 0.026 0.000 0.815 180 A HN 0.673 nan 8.150 nan 0.000 0.443 181 Y N 1.186 121.489 120.300 0.006 0.000 2.333 181 Y HA -0.190 4.360 4.550 0.000 0.000 0.290 181 Y C 1.665 177.467 175.900 -0.163 0.000 1.144 181 Y CA 1.704 59.743 58.100 -0.102 0.000 1.228 181 Y CB -0.105 38.352 38.460 -0.006 0.000 0.985 181 Y HN 0.356 nan 8.280 nan 0.000 0.542 182 D N -0.837 119.589 120.400 0.042 0.000 2.149 182 D HA -0.171 4.468 4.640 -0.000 0.000 0.198 182 D C 2.306 178.416 176.300 -0.317 0.000 0.990 182 D CA 1.626 55.621 54.000 -0.007 0.000 0.839 182 D CB -0.280 40.680 40.800 0.267 0.000 0.948 182 D HN 0.283 nan 8.370 nan 0.000 0.460 183 S N -0.292 115.262 115.700 -0.244 0.000 2.399 183 S HA -0.086 4.384 4.470 -0.000 0.000 0.231 183 S C 2.232 176.598 174.600 -0.390 0.000 1.022 183 S CA 0.372 58.414 58.200 -0.263 0.000 0.983 183 S CB -0.022 63.072 63.200 -0.177 0.000 0.803 183 S HN 0.096 nan 8.310 nan 0.000 0.480 184 V N 1.744 121.325 119.914 -0.556 0.000 2.379 184 V HA -0.121 3.999 4.120 -0.000 0.000 0.245 184 V C 2.600 178.242 176.094 -0.755 0.000 1.044 184 V CA 1.529 63.425 62.300 -0.673 0.000 1.036 184 V CB -1.090 30.119 31.823 -1.024 0.000 0.664 184 V HN 0.522 nan 8.190 nan 0.000 0.453 185 A N 0.751 122.948 122.820 -1.038 0.000 1.940 185 A HA -0.156 4.164 4.320 -0.000 0.000 0.219 185 A C 2.000 179.110 177.584 -0.790 0.000 1.176 185 A CA 2.148 53.514 52.037 -1.118 0.000 0.631 185 A CB -0.536 17.211 19.000 -2.088 0.000 0.814 185 A HN 0.760 nan 8.150 nan 0.000 0.446 186 I N -5.733 114.451 120.570 -0.642 0.000 3.976 186 I HA 0.336 4.506 4.170 -0.000 0.000 0.337 186 I C 0.245 176.189 176.117 -0.289 0.000 1.359 186 I CA -0.422 60.635 61.300 -0.405 0.000 1.098 186 I CB 0.102 37.911 38.000 -0.318 0.000 1.027 186 I HN 0.141 nan 8.210 nan 0.000 0.394 187 R N 1.375 121.694 120.500 -0.301 0.000 3.205 187 R HA -0.150 4.190 4.340 -0.000 0.000 0.249 187 R C 0.246 176.437 176.300 -0.183 0.000 0.937 187 R CA 0.404 56.372 56.100 -0.219 0.000 0.641 187 R CB -1.909 28.288 30.300 -0.171 0.000 1.114 187 R HN 0.630 nan 8.270 nan 0.000 0.451 188 A N 0.664 123.368 122.820 -0.193 0.000 2.488 188 A HA 0.075 4.395 4.320 -0.000 0.000 0.249 188 A C 1.034 178.535 177.584 -0.139 0.000 1.083 188 A CA -0.111 51.827 52.037 -0.166 0.000 0.768 188 A CB 0.292 19.195 19.000 -0.162 0.000 1.017 188 A HN 0.369 nan 8.150 nan 0.000 0.496 189 D N 0.716 121.032 120.400 -0.140 0.000 2.262 189 D HA 0.129 4.769 4.640 -0.000 0.000 0.212 189 D C 0.020 176.251 176.300 -0.115 0.000 0.964 189 D CA 1.289 55.219 54.000 -0.117 0.000 0.875 189 D CB 0.456 41.185 40.800 -0.119 0.000 0.996 189 D HN 0.285 nan 8.370 nan 0.000 0.497 190 V N 0.649 120.465 119.914 -0.164 0.000 2.841 190 V HA 0.306 4.426 4.120 -0.000 0.000 0.310 190 V C -0.603 175.405 176.094 -0.144 0.000 1.090 190 V CA -0.907 61.307 62.300 -0.143 0.000 0.930 190 V CB 2.973 34.633 31.823 -0.272 0.000 1.014 190 V HN -0.087 nan 8.190 nan 0.000 0.425 191 E N 3.905 124.068 120.200 -0.061 0.000 2.224 191 E HA 0.584 4.934 4.350 -0.000 0.000 0.265 191 E C -1.120 175.490 176.600 0.015 0.000 0.878 191 E CA -0.804 55.565 56.400 -0.052 0.000 0.759 191 E CB 1.463 31.137 29.700 -0.042 0.000 1.164 191 E HN 0.553 nan 8.360 nan 0.000 0.414 192 M N 2.208 121.805 119.600 -0.006 0.000 2.288 192 M HA 0.630 5.110 4.480 -0.000 0.000 0.334 192 M C 0.400 176.738 176.300 0.063 0.000 1.150 192 M CA -0.371 54.958 55.300 0.048 0.000 1.118 192 M CB 0.905 33.501 32.600 -0.007 0.000 1.501 192 M HN 0.749 nan 8.290 nan 0.000 0.462 193 G N -0.034 108.826 108.800 0.099 0.000 2.489 193 G HA2 0.541 4.501 3.960 -0.000 0.000 0.291 193 G HA3 0.541 4.501 3.960 -0.000 0.000 0.291 193 G C -0.952 173.999 174.900 0.084 0.000 1.487 193 G CA -0.499 44.647 45.100 0.076 0.000 0.795 193 G HN 0.922 nan 8.290 nan 0.000 0.513 194 G N -1.281 107.555 108.800 0.060 0.000 2.562 194 G HA2 0.505 4.465 3.960 -0.000 0.000 0.275 194 G HA3 0.505 4.465 3.960 -0.000 0.000 0.275 194 G C 1.402 176.329 174.900 0.044 0.000 1.196 194 G CA 0.863 45.994 45.100 0.051 0.000 0.908 194 G HN 1.515 nan 8.290 nan 0.000 0.524 195 T N -1.912 112.663 114.554 0.035 0.000 2.977 195 T HA -0.168 4.182 4.350 -0.000 0.000 0.271 195 T C 1.509 176.222 174.700 0.022 0.000 1.105 195 T CA 1.787 63.904 62.100 0.027 0.000 1.116 195 T CB -0.173 68.707 68.868 0.020 0.000 0.878 195 T HN 0.617 nan 8.240 nan 0.000 0.509 196 D N 0.290 120.699 120.400 0.017 0.000 2.347 196 D HA -0.088 4.552 4.640 -0.000 0.000 0.215 196 D C 1.633 177.940 176.300 0.012 0.000 0.976 196 D CA 0.349 54.352 54.000 0.005 0.000 0.884 196 D CB -0.237 40.561 40.800 -0.005 0.000 0.915 196 D HN 0.331 nan 8.370 nan 0.000 0.526 197 Q N 0.404 120.220 119.800 0.027 0.000 2.246 197 Q HA 0.128 4.468 4.340 -0.000 0.000 0.202 197 Q C 1.752 177.781 176.000 0.048 0.000 0.883 197 Q CA -0.254 55.571 55.803 0.036 0.000 0.952 197 Q CB 0.601 29.359 28.738 0.033 0.000 1.078 197 Q HN 0.392 nan 8.270 nan 0.000 0.493 198 R N -0.036 120.495 120.500 0.053 0.000 2.094 198 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 198 R C 1.884 178.220 176.300 0.060 0.000 1.137 198 R CA 1.570 57.699 56.100 0.049 0.000 0.943 198 R CB -0.285 30.045 30.300 0.051 0.000 0.850 198 R HN 0.192 nan 8.270 nan 0.000 0.433 199 F N 1.858 121.782 119.950 -0.044 0.000 2.069 199 F HA -0.265 4.262 4.527 0.000 0.000 0.298 199 F C 1.903 177.666 175.800 -0.061 0.000 1.113 199 F CA 1.990 59.959 58.000 -0.051 0.000 1.214 199 F CB -0.364 38.596 39.000 -0.067 0.000 0.978 199 F HN 0.123 nan 8.300 nan 0.000 0.474 200 N N 0.520 119.273 118.700 0.088 0.000 2.104 200 N HA -0.168 4.572 4.740 -0.000 0.000 0.190 200 N C 1.750 177.190 175.510 -0.117 0.000 1.024 200 N CA 1.454 54.490 53.050 -0.024 0.000 0.853 200 N CB -0.687 37.831 38.487 0.053 0.000 1.008 200 N HN 0.243 nan 8.380 nan 0.000 0.424 201 L N 0.805 121.984 121.223 -0.072 0.000 2.083 201 L HA -0.027 4.313 4.340 -0.000 0.000 0.209 201 L C 2.167 178.966 176.870 -0.119 0.000 1.083 201 L CA 0.993 55.791 54.840 -0.072 0.000 0.752 201 L CB -0.754 41.288 42.059 -0.027 0.000 0.899 201 L HN 0.176 nan 8.230 nan 0.000 0.433 202 L N -1.851 119.268 121.223 -0.174 0.000 2.141 202 L HA -0.157 4.183 4.340 -0.000 0.000 0.209 202 L C 2.355 179.073 176.870 -0.253 0.000 1.094 202 L CA 0.419 55.140 54.840 -0.199 0.000 0.763 202 L CB -0.433 41.494 42.059 -0.219 0.000 0.908 202 L HN 0.070 nan 8.230 nan 0.000 0.437 203 V N 0.111 119.798 119.914 -0.378 0.000 2.515 203 V HA -0.182 3.938 4.120 -0.000 0.000 0.250 203 V C 2.597 178.586 176.094 -0.176 0.000 1.058 203 V CA 1.815 63.904 62.300 -0.352 0.000 1.064 203 V CB -1.123 30.392 31.823 -0.514 0.000 0.675 203 V HN 0.568 nan 8.190 nan 0.000 0.461 204 G N -0.117 108.596 108.800 -0.145 0.000 2.418 204 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.217 204 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.217 204 G C 1.766 176.623 174.900 -0.073 0.000 1.158 204 G CA 0.639 45.684 45.100 -0.090 0.000 0.771 204 G HN 0.425 nan 8.290 nan 0.000 0.545 205 R N -0.140 120.313 120.500 -0.078 0.000 2.081 205 R HA -0.035 4.305 4.340 -0.000 0.000 0.235 205 R C 2.483 178.765 176.300 -0.030 0.000 1.131 205 R CA 1.344 57.411 56.100 -0.055 0.000 0.960 205 R CB -0.222 30.044 30.300 -0.058 0.000 0.856 205 R HN 0.301 nan 8.270 nan 0.000 0.436 206 E N 0.393 120.574 120.200 -0.032 0.000 2.077 206 E HA -0.120 4.230 4.350 -0.000 0.000 0.193 206 E C 1.847 178.487 176.600 0.067 0.000 0.989 206 E CA 1.033 57.439 56.400 0.010 0.000 0.800 206 E CB -0.013 29.688 29.700 0.002 0.000 0.746 206 E HN 0.031 nan 8.360 nan 0.000 0.452 207 V N 0.623 120.587 119.914 0.083 0.000 2.358 207 V HA -0.253 3.867 4.120 -0.000 0.000 0.246 207 V C 2.349 178.540 176.094 0.161 0.000 1.047 207 V CA 1.975 64.379 62.300 0.173 0.000 1.035 207 V CB -0.507 31.410 31.823 0.157 0.000 0.658 207 V HN 0.318 nan 8.190 nan 0.000 0.452 208 Q N -0.458 119.366 119.800 0.039 0.000 2.084 208 Q HA -0.211 4.129 4.340 -0.000 0.000 0.202 208 Q C 2.537 178.578 176.000 0.069 0.000 0.978 208 Q CA 1.584 57.395 55.803 0.013 0.000 0.844 208 Q CB -0.190 28.517 28.738 -0.050 0.000 0.898 208 Q HN 0.576 nan 8.270 nan 0.000 0.426 209 R N 0.019 120.550 120.500 0.052 0.000 2.081 209 R HA -0.126 4.214 4.340 -0.000 0.000 0.235 209 R C 2.273 178.609 176.300 0.061 0.000 1.131 209 R CA 1.186 57.311 56.100 0.042 0.000 0.960 209 R CB -0.405 29.910 30.300 0.024 0.000 0.856 209 R HN 0.202 nan 8.270 nan 0.000 0.436 210 A N 0.178 123.058 122.820 0.099 0.000 1.978 210 A HA -0.166 4.154 4.320 -0.000 0.000 0.220 210 A C 1.278 178.859 177.584 -0.005 0.000 1.170 210 A CA 1.193 53.266 52.037 0.060 0.000 0.636 210 A CB -0.427 18.638 19.000 0.108 0.000 0.810 210 A HN 0.346 nan 8.150 nan 0.000 0.448 211 Y N -0.639 119.659 120.300 -0.004 0.000 2.470 211 Y HA 0.355 4.905 4.550 -0.000 0.000 0.284 211 Y C 1.727 177.609 175.900 -0.030 0.000 1.188 211 Y CA 0.057 58.148 58.100 -0.015 0.000 1.269 211 Y CB -0.141 38.298 38.460 -0.035 0.000 1.094 211 Y HN 0.440 nan 8.280 nan 0.000 0.518 212 G N 0.400 109.242 108.800 0.070 0.000 2.143 212 G HA2 -0.277 3.683 3.960 -0.000 0.000 0.248 212 G HA3 -0.277 3.683 3.960 -0.000 0.000 0.248 212 G C 0.105 175.018 174.900 0.022 0.000 0.991 212 G CA -0.079 45.038 45.100 0.029 0.000 0.689 212 G HN 0.408 nan 8.290 nan 0.000 0.522 213 Q N -0.142 119.674 119.800 0.026 0.000 2.215 213 Q HA 0.600 4.940 4.340 -0.000 0.000 0.256 213 Q C 0.509 176.499 176.000 -0.017 0.000 0.972 213 Q CA -0.201 55.595 55.803 -0.010 0.000 0.889 213 Q CB 1.547 30.260 28.738 -0.040 0.000 1.281 213 Q HN 0.282 nan 8.270 nan 0.000 0.456 214 S N 2.607 118.290 115.700 -0.028 0.000 2.537 214 S HA 0.154 4.624 4.470 -0.000 0.000 0.286 214 S C -2.165 172.414 174.600 -0.035 0.000 1.299 214 S CA -1.145 57.039 58.200 -0.027 0.000 1.067 214 S CB 0.318 63.501 63.200 -0.029 0.000 0.864 214 S HN 0.295 nan 8.310 nan 0.000 0.494 215 P HA 0.095 nan 4.420 nan 0.000 0.276 215 P C -0.547 176.728 177.300 -0.042 0.000 1.235 215 P CA -0.381 62.698 63.100 -0.035 0.000 0.772 215 P CB 0.331 32.015 31.700 -0.027 0.000 0.871 216 Q N 1.787 121.554 119.800 -0.055 0.000 2.386 216 Q HA 0.186 4.526 4.340 -0.000 0.000 0.282 216 Q C -0.473 175.506 176.000 -0.034 0.000 1.050 216 Q CA -0.562 55.208 55.803 -0.055 0.000 0.918 216 Q CB -0.024 28.671 28.738 -0.072 0.000 1.266 216 Q HN 0.190 nan 8.270 nan 0.000 0.423 217 V N 2.171 122.075 119.914 -0.018 0.000 2.614 217 V HA 0.055 4.175 4.120 -0.000 0.000 0.291 217 V C -0.140 175.975 176.094 0.036 0.000 1.049 217 V CA -0.676 61.633 62.300 0.014 0.000 1.038 217 V CB 1.084 32.939 31.823 0.054 0.000 0.980 217 V HN 0.927 nan 8.190 nan 0.000 0.481 218 C N 6.046 125.361 119.300 0.026 0.000 2.255 218 C HA 0.447 4.907 4.460 -0.000 0.000 0.326 218 C C -0.081 174.959 174.990 0.083 0.000 1.258 218 C CA -0.691 58.353 59.018 0.043 0.000 1.676 218 C CB -0.532 27.207 27.740 -0.001 0.000 2.314 218 C HN 0.726 nan 8.230 nan 0.000 0.509 219 F N 4.907 124.862 119.950 0.010 0.000 2.347 219 F HA 0.597 5.124 4.527 -0.000 0.000 0.366 219 F C -0.263 175.558 175.800 0.036 0.000 1.107 219 F CA -0.693 57.333 58.000 0.043 0.000 1.058 219 F CB 0.447 39.505 39.000 0.098 0.000 1.236 219 F HN 0.414 nan 8.300 nan 0.000 0.456 220 L N 6.200 127.517 121.223 0.156 0.000 2.309 220 L HA 0.520 4.860 4.340 -0.000 0.000 0.282 220 L C -0.334 176.630 176.870 0.158 0.000 1.036 220 L CA -0.719 54.204 54.840 0.138 0.000 0.806 220 L CB 1.416 43.502 42.059 0.045 0.000 1.220 220 L HN 0.404 nan 8.230 nan 0.000 0.429 221 M N 3.840 123.533 119.600 0.155 0.000 2.598 221 M HA 0.517 4.997 4.480 -0.000 0.000 0.317 221 M C -2.459 173.882 176.300 0.069 0.000 1.179 221 M CA -2.446 52.931 55.300 0.129 0.000 0.936 221 M CB 1.781 34.463 32.600 0.137 0.000 1.713 221 M HN 0.220 nan 8.290 nan 0.000 0.460 222 P HA 0.221 nan 4.420 nan 0.000 0.272 222 P C -0.970 176.340 177.300 0.018 0.000 1.230 222 P CA -0.483 62.635 63.100 0.030 0.000 0.788 222 P CB 0.644 32.360 31.700 0.027 0.000 0.949 223 L N 2.061 123.289 121.223 0.009 0.000 2.292 223 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 223 L C 0.662 177.522 176.870 -0.017 0.000 1.065 223 L CA -0.742 54.096 54.840 -0.004 0.000 0.806 223 L CB 0.020 42.078 42.059 -0.001 0.000 1.175 223 L HN 0.374 nan 8.230 nan 0.000 0.431 224 L N 4.325 125.519 121.223 -0.048 0.000 2.410 224 L HA 0.214 4.554 4.340 -0.000 0.000 0.273 224 L C 0.065 176.911 176.870 -0.040 0.000 1.144 224 L CA 0.293 55.078 54.840 -0.092 0.000 0.863 224 L CB 1.015 42.956 42.059 -0.197 0.000 1.140 224 L HN 0.313 nan 8.230 nan 0.000 0.463 225 V N 5.593 125.527 119.914 0.032 0.000 2.649 225 V HA 0.454 4.574 4.120 -0.000 0.000 0.292 225 V C 1.129 177.295 176.094 0.120 0.000 1.055 225 V CA 0.050 62.393 62.300 0.071 0.000 1.023 225 V CB 0.873 32.753 31.823 0.095 0.000 0.992 225 V HN 0.980 nan 8.190 nan 0.000 0.480 226 G N 2.373 111.210 108.800 0.061 0.000 2.588 226 G HA2 0.354 4.314 3.960 -0.000 0.000 0.278 226 G HA3 0.354 4.314 3.960 -0.000 0.000 0.278 226 G C 0.805 175.747 174.900 0.070 0.000 1.307 226 G CA -0.716 44.419 45.100 0.060 0.000 1.016 226 G HN 0.709 nan 8.290 nan 0.000 0.503 227 L N 0.283 121.524 121.223 0.030 0.000 2.265 227 L HA -0.057 4.283 4.340 -0.000 0.000 0.215 227 L C 2.476 179.328 176.870 -0.031 0.000 1.117 227 L CA 1.320 56.150 54.840 -0.017 0.000 0.782 227 L CB -0.358 41.673 42.059 -0.046 0.000 0.914 227 L HN 0.707 nan 8.230 nan 0.000 0.441 228 D N -0.194 120.196 120.400 -0.018 0.000 2.269 228 D HA -0.121 4.519 4.640 -0.000 0.000 0.208 228 D C 1.610 177.901 176.300 -0.015 0.000 0.963 228 D CA 1.141 55.130 54.000 -0.018 0.000 0.864 228 D CB 0.066 40.860 40.800 -0.010 0.000 0.936 228 D HN 0.337 nan 8.370 nan 0.000 0.505 229 G N 1.049 109.845 108.800 -0.007 0.000 2.175 229 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.244 229 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.244 229 G C 1.254 176.158 174.900 0.006 0.000 0.982 229 G CA 0.346 45.443 45.100 -0.006 0.000 0.641 229 G HN 0.468 nan 8.290 nan 0.000 0.527 230 R N -0.656 119.849 120.500 0.008 0.000 2.428 230 R HA 0.212 4.552 4.340 -0.000 0.000 0.193 230 R C 0.166 176.474 176.300 0.012 0.000 0.852 230 R CA -0.053 56.053 56.100 0.010 0.000 1.055 230 R CB 0.268 30.570 30.300 0.005 0.000 1.343 230 R HN 0.345 nan 8.270 nan 0.000 0.655 231 E N 2.384 122.590 120.200 0.010 0.000 2.283 231 E HA 0.125 4.475 4.350 -0.000 0.000 0.267 231 E C -0.634 175.969 176.600 0.006 0.000 1.045 231 E CA -0.460 55.944 56.400 0.008 0.000 0.884 231 E CB 1.394 31.097 29.700 0.006 0.000 1.106 231 E HN -0.021 nan 8.360 nan 0.000 0.408 232 K N 1.806 122.207 120.400 0.000 0.000 2.489 232 K HA -0.011 4.309 4.320 -0.000 0.000 0.278 232 K C 0.293 176.873 176.600 -0.033 0.000 1.000 232 K CA -0.032 56.249 56.287 -0.011 0.000 1.012 232 K CB 0.435 32.930 32.500 -0.009 0.000 0.903 232 K HN 0.500 nan 8.250 nan 0.000 0.485 233 M N 3.890 123.449 119.600 -0.069 0.000 2.269 233 M HA -0.016 4.464 4.480 -0.000 0.000 0.350 233 M C -0.964 175.189 176.300 -0.246 0.000 1.429 233 M CA 0.811 56.011 55.300 -0.167 0.000 1.063 233 M CB 0.284 32.732 32.600 -0.253 0.000 1.841 233 M HN 0.805 nan 8.290 nan 0.000 0.455 234 S N 3.536 119.116 115.700 -0.200 0.000 2.552 234 S HA 0.243 4.713 4.470 -0.000 0.000 0.272 234 S C 0.016 174.593 174.600 -0.038 0.000 1.150 234 S CA -0.856 57.282 58.200 -0.103 0.000 0.849 234 S CB 1.443 64.643 63.200 -0.000 0.000 1.113 234 S HN 0.944 nan 8.310 nan 0.000 0.458 235 K N 1.477 121.820 120.400 -0.095 0.000 2.032 235 K HA -0.148 4.172 4.320 -0.000 0.000 0.209 235 K C 1.960 178.585 176.600 0.041 0.000 1.048 235 K CA 2.414 58.587 56.287 -0.190 0.000 0.927 235 K CB -0.761 31.626 32.500 -0.188 0.000 0.712 235 K HN 0.779 nan 8.250 nan 0.000 0.441 236 S N 0.754 116.476 115.700 0.036 0.000 2.419 236 S HA -0.117 4.353 4.470 -0.000 0.000 0.235 236 S C 1.847 176.487 174.600 0.066 0.000 1.019 236 S CA 1.126 59.357 58.200 0.051 0.000 0.982 236 S CB -0.369 62.853 63.200 0.037 0.000 0.789 236 S HN 0.420 nan 8.310 nan 0.000 0.490 237 L N 0.566 121.834 121.223 0.076 0.000 2.585 237 L HA 0.275 4.615 4.340 -0.000 0.000 0.226 237 L C 0.509 177.433 176.870 0.091 0.000 1.113 237 L CA 0.299 55.179 54.840 0.067 0.000 0.876 237 L CB -0.555 41.529 42.059 0.041 0.000 1.072 237 L HN 0.221 nan 8.230 nan 0.000 0.468 238 D N 1.843 122.356 120.400 0.188 0.000 2.708 238 D HA -0.199 4.441 4.640 -0.000 0.000 0.236 238 D C 0.271 176.565 176.300 -0.010 0.000 1.146 238 D CA 0.829 54.931 54.000 0.169 0.000 0.662 238 D CB -0.549 40.300 40.800 0.081 0.000 1.059 238 D HN 0.572 nan 8.370 nan 0.000 0.428 239 N N -0.128 118.596 118.700 0.040 0.000 2.433 239 N HA 0.131 4.871 4.740 -0.000 0.000 0.270 239 N C -0.420 175.052 175.510 -0.063 0.000 1.354 239 N CA -0.571 52.449 53.050 -0.049 0.000 0.889 239 N CB -0.386 38.096 38.487 -0.009 0.000 1.285 239 N HN 0.400 nan 8.380 nan 0.000 0.503 240 Y N -1.031 119.203 120.300 -0.110 0.000 2.654 240 Y HA 0.817 5.367 4.550 -0.000 0.000 0.327 240 Y C -0.605 175.259 175.900 -0.061 0.000 1.122 240 Y CA -1.729 56.273 58.100 -0.163 0.000 1.227 240 Y CB 1.236 39.517 38.460 -0.297 0.000 1.370 240 Y HN -0.152 nan 8.280 nan 0.000 0.528 241 I N 1.839 122.495 120.570 0.143 0.000 2.497 241 I HA 0.411 4.581 4.170 -0.000 0.000 0.284 241 I C 0.109 176.369 176.117 0.238 0.000 1.060 241 I CA -0.927 60.434 61.300 0.103 0.000 1.071 241 I CB 1.654 39.680 38.000 0.043 0.000 1.216 241 I HN 0.983 nan 8.210 nan 0.000 0.442 242 G N 5.362 114.337 108.800 0.292 0.000 2.442 242 G HA2 0.348 4.308 3.960 -0.000 0.000 0.249 242 G HA3 0.348 4.308 3.960 -0.000 0.000 0.249 242 G C 0.885 175.814 174.900 0.048 0.000 1.263 242 G CA -0.459 44.773 45.100 0.220 0.000 0.846 242 G HN 0.669 nan 8.290 nan 0.000 0.555 243 L N 1.388 122.583 121.223 -0.047 0.000 2.131 243 L HA -0.064 4.276 4.340 -0.000 0.000 0.210 243 L C 2.788 179.651 176.870 -0.011 0.000 1.092 243 L CA 1.748 56.490 54.840 -0.163 0.000 0.759 243 L CB -0.475 41.451 42.059 -0.222 0.000 0.903 243 L HN 0.728 nan 8.230 nan 0.000 0.435 244 T N -4.350 110.216 114.554 0.019 0.000 3.105 244 T HA 0.143 4.493 4.350 -0.000 0.000 0.253 244 T C 0.583 175.323 174.700 0.066 0.000 1.047 244 T CA -0.409 61.720 62.100 0.048 0.000 0.944 244 T CB -0.078 68.807 68.868 0.029 0.000 1.016 244 T HN 0.207 nan 8.240 nan 0.000 0.544 245 E N 3.457 123.703 120.200 0.076 0.000 2.415 245 E HA 0.179 4.529 4.350 -0.000 0.000 0.262 245 E C -2.157 174.495 176.600 0.086 0.000 1.038 245 E CA -1.759 54.691 56.400 0.082 0.000 0.921 245 E CB 0.366 30.117 29.700 0.085 0.000 0.950 245 E HN 0.336 nan 8.360 nan 0.000 0.438 246 P HA -0.041 nan 4.420 nan 0.000 0.266 246 P C -2.315 175.047 177.300 0.103 0.000 1.195 246 P CA -1.009 62.140 63.100 0.082 0.000 0.768 246 P CB 0.233 31.974 31.700 0.067 0.000 0.838 247 P HA -0.260 nan 4.420 nan 0.000 0.217 247 P C 1.580 178.980 177.300 0.167 0.000 1.158 247 P CA 2.112 65.301 63.100 0.149 0.000 0.887 247 P CB -0.121 31.657 31.700 0.130 0.000 0.792 248 E N -0.135 120.136 120.200 0.118 0.000 2.118 248 E HA -0.187 4.163 4.350 -0.000 0.000 0.195 248 E C 1.885 178.580 176.600 0.159 0.000 0.992 248 E CA 1.728 58.199 56.400 0.117 0.000 0.804 248 E CB -1.337 28.405 29.700 0.069 0.000 0.741 248 E HN 0.159 nan 8.360 nan 0.000 0.458 249 A N 0.917 123.811 122.820 0.124 0.000 1.929 249 A HA -0.004 4.316 4.320 -0.000 0.000 0.216 249 A C 2.314 179.962 177.584 0.107 0.000 1.176 249 A CA 1.479 53.579 52.037 0.104 0.000 0.628 249 A CB -0.588 18.455 19.000 0.073 0.000 0.816 249 A HN 0.433 nan 8.150 nan 0.000 0.444 250 M N -1.931 117.743 119.600 0.124 0.000 2.132 250 M HA -0.071 4.409 4.480 -0.000 0.000 0.263 250 M C 1.994 178.356 176.300 0.103 0.000 1.065 250 M CA 1.906 57.269 55.300 0.105 0.000 1.122 250 M CB -0.244 32.432 32.600 0.127 0.000 1.365 250 M HN 0.401 nan 8.290 nan 0.000 0.411 251 F N 1.170 121.133 119.950 0.022 0.000 2.095 251 F HA -0.242 4.285 4.527 0.000 0.000 0.298 251 F C 2.378 178.108 175.800 -0.118 0.000 1.104 251 F CA 2.115 60.098 58.000 -0.027 0.000 1.232 251 F CB -0.377 38.624 39.000 0.002 0.000 0.987 251 F HN 0.101 nan 8.300 nan 0.000 0.475 252 K N 0.326 120.867 120.400 0.235 0.000 2.032 252 K HA -0.221 4.099 4.320 -0.000 0.000 0.209 252 K C 2.152 178.751 176.600 -0.003 0.000 1.048 252 K CA 1.811 58.191 56.287 0.155 0.000 0.927 252 K CB -0.129 32.509 32.500 0.230 0.000 0.712 252 K HN 0.215 nan 8.250 nan 0.000 0.441 253 K N 0.438 120.836 120.400 -0.003 0.000 2.057 253 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 253 K C 2.156 178.701 176.600 -0.092 0.000 1.049 253 K CA 1.308 57.569 56.287 -0.043 0.000 0.931 253 K CB -0.115 32.365 32.500 -0.034 0.000 0.714 253 K HN 0.155 nan 8.250 nan 0.000 0.440 254 L N 0.458 121.604 121.223 -0.128 0.000 2.083 254 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 254 L C 2.394 179.150 176.870 -0.191 0.000 1.083 254 L CA 0.741 55.484 54.840 -0.161 0.000 0.752 254 L CB -0.315 41.611 42.059 -0.221 0.000 0.899 254 L HN 0.233 nan 8.230 nan 0.000 0.433 255 M N -0.492 118.892 119.600 -0.359 0.000 2.446 255 M HA -0.143 4.337 4.480 -0.000 0.000 0.263 255 M C 1.647 177.676 176.300 -0.452 0.000 1.066 255 M CA 1.541 56.564 55.300 -0.462 0.000 1.087 255 M CB -0.891 31.191 32.600 -0.863 0.000 1.406 255 M HN 0.217 nan 8.290 nan 0.000 0.459 256 R N -0.476 119.872 120.500 -0.254 0.000 2.468 256 R HA 0.259 4.599 4.340 -0.000 0.000 0.280 256 R C 0.053 176.267 176.300 -0.143 0.000 0.963 256 R CA -0.244 55.737 56.100 -0.198 0.000 1.083 256 R CB 0.469 30.715 30.300 -0.091 0.000 1.200 256 R HN 0.042 nan 8.270 nan 0.000 0.541 257 V N 3.263 123.120 119.914 -0.096 0.000 2.655 257 V HA 0.062 4.182 4.120 -0.000 0.000 0.300 257 V C -1.989 174.077 176.094 -0.045 0.000 1.044 257 V CA -1.382 60.832 62.300 -0.144 0.000 1.095 257 V CB 0.746 32.341 31.823 -0.380 0.000 0.952 257 V HN 0.005 nan 8.190 nan 0.000 0.485 258 P HA 0.042 nan 4.420 nan 0.000 0.264 258 P C 0.407 177.674 177.300 -0.055 0.000 1.193 258 P CA 0.080 63.141 63.100 -0.065 0.000 0.763 258 P CB 0.396 32.050 31.700 -0.076 0.000 0.810 259 D N 5.062 125.475 120.400 0.021 0.000 2.149 259 D HA -0.177 4.463 4.640 -0.000 0.000 0.194 259 D C -0.661 175.612 176.300 -0.045 0.000 1.001 259 D CA 1.937 55.943 54.000 0.009 0.000 0.849 259 D CB -1.780 39.044 40.800 0.040 0.000 0.939 259 D HN 0.423 nan 8.370 nan 0.000 0.449 260 P HA -0.064 nan 4.420 nan 0.000 0.219 260 P C 1.555 178.835 177.300 -0.034 0.000 1.146 260 P CA 0.721 63.806 63.100 -0.026 0.000 0.808 260 P CB -0.021 31.668 31.700 -0.018 0.000 0.779 261 L N -2.045 119.124 121.223 -0.090 0.000 2.492 261 L HA 0.004 4.344 4.340 -0.000 0.000 0.223 261 L C 2.162 178.958 176.870 -0.124 0.000 1.132 261 L CA 0.229 55.006 54.840 -0.105 0.000 0.850 261 L CB -0.610 41.294 42.059 -0.258 0.000 0.966 261 L HN -0.028 nan 8.230 nan 0.000 0.454 262 L N 0.397 121.520 121.223 -0.167 0.000 2.021 262 L HA -0.222 4.118 4.340 -0.000 0.000 0.215 262 L C -0.108 176.841 176.870 0.131 0.000 1.074 262 L CA 1.906 56.671 54.840 -0.126 0.000 0.760 262 L CB -1.792 40.208 42.059 -0.099 0.000 0.889 262 L HN 0.241 nan 8.230 nan 0.000 0.433 263 P HA -0.184 nan 4.420 nan 0.000 0.215 263 P C 1.861 179.280 177.300 0.200 0.000 1.157 263 P CA 2.045 65.259 63.100 0.190 0.000 0.874 263 P CB -0.057 31.703 31.700 0.101 0.000 0.790 264 S N -2.611 113.191 115.700 0.170 0.000 2.406 264 S HA -0.173 4.297 4.470 -0.000 0.000 0.228 264 S C 1.938 176.653 174.600 0.192 0.000 1.020 264 S CA 0.848 59.148 58.200 0.167 0.000 0.965 264 S CB -1.664 61.628 63.200 0.154 0.000 0.798 264 S HN 0.022 nan 8.310 nan 0.000 0.488 265 Y N 1.032 121.306 120.300 -0.045 0.000 2.200 265 Y HA 0.116 4.666 4.550 0.000 0.000 0.290 265 Y C 2.031 177.861 175.900 -0.117 0.000 1.137 265 Y CA 0.281 58.304 58.100 -0.127 0.000 1.163 265 Y CB -0.861 37.444 38.460 -0.260 0.000 0.988 265 Y HN 0.235 nan 8.280 nan 0.000 0.518 266 F N -0.129 119.906 119.950 0.141 0.000 2.146 266 F HA -0.168 4.359 4.527 -0.000 0.000 0.298 266 F C 2.330 178.166 175.800 0.060 0.000 1.096 266 F CA 1.389 59.438 58.000 0.081 0.000 1.275 266 F CB -0.511 38.522 39.000 0.056 0.000 1.008 266 F HN -0.088 nan 8.300 nan 0.000 0.480 267 R N -0.075 120.570 120.500 0.241 0.000 2.075 267 R HA -0.071 4.269 4.340 -0.000 0.000 0.232 267 R C 2.042 178.397 176.300 0.091 0.000 1.126 267 R CA 1.290 57.476 56.100 0.142 0.000 0.963 267 R CB -0.636 29.730 30.300 0.110 0.000 0.858 267 R HN 0.322 nan 8.270 nan 0.000 0.435 268 L N 0.284 121.542 121.223 0.057 0.000 2.375 268 L HA 0.052 4.391 4.340 -0.000 0.000 0.215 268 L C 1.808 178.676 176.870 -0.004 0.000 1.108 268 L CA 0.528 55.375 54.840 0.011 0.000 0.830 268 L CB 0.053 42.089 42.059 -0.039 0.000 0.959 268 L HN 0.151 nan 8.230 nan 0.000 0.457 269 L N -1.338 119.886 121.223 0.002 0.000 2.701 269 L HA 0.179 4.519 4.340 -0.000 0.000 0.238 269 L C 0.977 177.895 176.870 0.079 0.000 1.106 269 L CA 0.083 54.934 54.840 0.019 0.000 0.898 269 L CB 0.326 42.361 42.059 -0.040 0.000 1.188 269 L HN 0.255 nan 8.230 nan 0.000 0.508 270 T N -5.386 109.235 114.554 0.112 0.000 2.831 270 T HA 0.329 4.679 4.350 -0.000 0.000 0.287 270 T C -0.187 174.582 174.700 0.116 0.000 1.070 270 T CA -0.632 61.554 62.100 0.142 0.000 1.010 270 T CB 2.257 71.278 68.868 0.255 0.000 1.264 270 T HN -0.131 nan 8.240 nan 0.000 0.532 271 D N 0.372 120.833 120.400 0.101 0.000 2.440 271 D HA 0.266 4.906 4.640 -0.000 0.000 0.216 271 D C 0.433 176.768 176.300 0.058 0.000 1.150 271 D CA -0.133 53.905 54.000 0.064 0.000 0.832 271 D CB 0.220 41.040 40.800 0.034 0.000 0.992 271 D HN 0.448 nan 8.370 nan 0.000 0.502 272 L N 1.767 123.043 121.223 0.088 0.000 2.514 272 L HA -0.029 4.311 4.340 -0.000 0.000 0.280 272 L C 1.183 178.057 176.870 0.007 0.000 1.223 272 L CA 0.292 55.153 54.840 0.035 0.000 0.864 272 L CB 0.504 42.594 42.059 0.052 0.000 1.118 272 L HN -0.173 nan 8.230 nan 0.000 0.494 273 E N 2.332 122.509 120.200 -0.038 0.000 2.392 273 E HA -0.010 4.340 4.350 -0.000 0.000 0.259 273 E C 0.842 177.431 176.600 -0.019 0.000 1.108 273 E CA -0.328 56.054 56.400 -0.030 0.000 0.916 273 E CB 0.647 30.314 29.700 -0.054 0.000 0.989 273 E HN 0.427 nan 8.360 nan 0.000 0.432 274 E N 1.561 121.757 120.200 -0.007 0.000 2.097 274 E HA -0.240 4.110 4.350 -0.000 0.000 0.196 274 E C 1.733 178.330 176.600 -0.005 0.000 1.000 274 E CA 1.662 58.060 56.400 -0.002 0.000 0.804 274 E CB -0.044 29.658 29.700 0.004 0.000 0.740 274 E HN 0.662 nan 8.360 nan 0.000 0.454 275 E N 0.613 120.811 120.200 -0.002 0.000 2.204 275 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 275 E C 1.705 178.335 176.600 0.050 0.000 0.989 275 E CA 0.946 57.355 56.400 0.015 0.000 0.824 275 E CB -0.221 29.486 29.700 0.011 0.000 0.756 275 E HN 0.303 nan 8.360 nan 0.000 0.477 276 E N 0.978 121.201 120.200 0.037 0.000 2.072 276 E HA -0.091 4.259 4.350 -0.000 0.000 0.190 276 E C 2.214 178.906 176.600 0.153 0.000 0.982 276 E CA 1.025 57.520 56.400 0.157 0.000 0.803 276 E CB -0.107 29.563 29.700 -0.050 0.000 0.755 276 E HN 0.361 nan 8.360 nan 0.000 0.453 277 I N 1.452 121.998 120.570 -0.040 0.000 2.226 277 I HA -0.235 3.935 4.170 -0.000 0.000 0.245 277 I C 2.352 178.382 176.117 -0.144 0.000 1.100 277 I CA 0.898 62.061 61.300 -0.228 0.000 1.374 277 I CB -0.193 37.694 38.000 -0.190 0.000 1.057 277 I HN 0.026 nan 8.210 nan 0.000 0.413 278 E N 1.077 121.245 120.200 -0.054 0.000 2.051 278 E HA -0.213 4.137 4.350 -0.000 0.000 0.192 278 E C 2.354 178.922 176.600 -0.053 0.000 0.991 278 E CA 1.534 57.909 56.400 -0.043 0.000 0.799 278 E CB -0.412 29.278 29.700 -0.016 0.000 0.748 278 E HN 0.496 nan 8.360 nan 0.000 0.449 279 A N 1.211 124.033 122.820 0.004 0.000 1.908 279 A HA -0.167 4.153 4.320 -0.000 0.000 0.218 279 A C 2.423 179.904 177.584 -0.172 0.000 1.181 279 A CA 1.235 53.265 52.037 -0.012 0.000 0.627 279 A CB -0.737 18.400 19.000 0.229 0.000 0.818 279 A HN 0.191 nan 8.150 nan 0.000 0.445 280 L N -0.762 120.385 121.223 -0.126 0.000 2.017 280 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 280 L C 2.634 179.379 176.870 -0.208 0.000 1.073 280 L CA 1.177 55.882 54.840 -0.226 0.000 0.745 280 L CB -0.530 41.341 42.059 -0.314 0.000 0.894 280 L HN 0.403 nan 8.230 nan 0.000 0.432 281 L N -0.181 120.945 121.223 -0.161 0.000 1.994 281 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 281 L C 2.653 179.449 176.870 -0.123 0.000 1.071 281 L CA 1.483 56.259 54.840 -0.107 0.000 0.745 281 L CB -0.610 41.407 42.059 -0.070 0.000 0.892 281 L HN 0.258 nan 8.230 nan 0.000 0.431 282 K N 0.449 120.765 120.400 -0.141 0.000 2.218 282 K HA -0.219 4.101 4.320 -0.000 0.000 0.205 282 K C 1.970 178.448 176.600 -0.203 0.000 1.046 282 K CA 1.373 57.572 56.287 -0.148 0.000 0.933 282 K CB -0.063 32.351 32.500 -0.143 0.000 0.728 282 K HN 0.324 nan 8.250 nan 0.000 0.454 283 A N 0.426 123.067 122.820 -0.299 0.000 2.066 283 A HA 0.200 4.520 4.320 -0.000 0.000 0.218 283 A C 0.802 178.276 177.584 -0.185 0.000 1.157 283 A CA 1.108 52.934 52.037 -0.351 0.000 0.670 283 A CB -0.308 18.344 19.000 -0.580 0.000 0.804 283 A HN 0.540 nan 8.150 nan 0.000 0.453 284 G N -2.769 105.953 108.800 -0.129 0.000 2.428 284 G HA2 0.120 4.080 3.960 -0.000 0.000 0.681 284 G HA3 0.120 4.080 3.960 -0.000 0.000 0.681 284 G C -2.134 172.752 174.900 -0.024 0.000 1.340 284 G CA -0.317 44.746 45.100 -0.063 0.000 0.915 284 G HN -0.076 nan 8.290 nan 0.000 0.645 285 P HA -0.081 nan 4.420 nan 0.000 0.214 285 P C 2.336 179.752 177.300 0.194 0.000 1.163 285 P CA 2.637 65.792 63.100 0.093 0.000 0.883 285 P CB -0.013 31.750 31.700 0.105 0.000 0.788 286 V N -3.208 116.784 119.914 0.131 0.000 2.295 286 V HA -0.108 4.012 4.120 -0.000 0.000 0.246 286 V C -0.493 175.666 176.094 0.108 0.000 1.049 286 V CA 2.051 64.429 62.300 0.130 0.000 1.024 286 V CB -3.011 28.862 31.823 0.084 0.000 0.648 286 V HN 0.103 nan 8.190 nan 0.000 0.447 287 P HA -0.053 nan 4.420 nan 0.000 0.216 287 P C 1.952 179.265 177.300 0.021 0.000 1.153 287 P CA 2.278 65.399 63.100 0.036 0.000 0.848 287 P CB -0.256 31.442 31.700 -0.003 0.000 0.787 288 A N -0.833 121.993 122.820 0.010 0.000 1.933 288 A HA -0.246 4.074 4.320 -0.000 0.000 0.218 288 A C 2.159 179.757 177.584 0.024 0.000 1.175 288 A CA 1.492 53.550 52.037 0.035 0.000 0.628 288 A CB -1.681 17.326 19.000 0.012 0.000 0.814 288 A HN 0.231 nan 8.150 nan 0.000 0.444 289 H N -0.505 118.553 119.070 -0.021 0.000 2.357 289 H HA -0.036 4.520 4.556 0.000 0.000 0.301 289 H C 2.376 177.586 175.328 -0.198 0.000 1.082 289 H CA 1.680 57.647 56.048 -0.135 0.000 1.342 289 H CB -0.111 29.557 29.762 -0.158 0.000 1.389 289 H HN 0.478 nan 8.280 nan 0.000 0.511 290 R N 0.170 120.671 120.500 0.002 0.000 2.081 290 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 290 R C 2.480 178.735 176.300 -0.075 0.000 1.131 290 R CA 1.184 57.260 56.100 -0.040 0.000 0.960 290 R CB -0.239 30.105 30.300 0.074 0.000 0.856 290 R HN 0.076 nan 8.270 nan 0.000 0.436 291 V N 1.368 121.247 119.914 -0.058 0.000 2.358 291 V HA -0.218 3.902 4.120 -0.000 0.000 0.246 291 V C 2.201 178.277 176.094 -0.031 0.000 1.047 291 V CA 1.438 63.664 62.300 -0.124 0.000 1.035 291 V CB -0.434 31.248 31.823 -0.236 0.000 0.658 291 V HN 0.242 nan 8.190 nan 0.000 0.452 292 L N 0.971 122.195 121.223 0.000 0.000 2.017 292 L HA -0.059 4.281 4.340 -0.000 0.000 0.208 292 L C 2.438 179.215 176.870 -0.157 0.000 1.073 292 L CA 2.395 57.153 54.840 -0.138 0.000 0.745 292 L CB -0.887 40.886 42.059 -0.478 0.000 0.894 292 L HN 0.201 nan 8.230 nan 0.000 0.432 293 A N -0.376 122.265 122.820 -0.299 0.000 1.902 293 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 293 A C 2.414 179.844 177.584 -0.255 0.000 1.181 293 A CA 1.781 53.497 52.037 -0.536 0.000 0.623 293 A CB -0.527 17.649 19.000 -1.374 0.000 0.818 293 A HN 0.520 nan 8.150 nan 0.000 0.443 294 R N -0.648 119.810 120.500 -0.070 0.000 2.066 294 R HA 0.003 4.343 4.340 -0.000 0.000 0.232 294 R C 2.124 178.560 176.300 0.227 0.000 1.131 294 R CA 1.380 57.578 56.100 0.164 0.000 0.955 294 R CB -0.537 29.758 30.300 -0.008 0.000 0.851 294 R HN 0.482 nan 8.270 nan 0.000 0.432 295 L N 0.633 121.989 121.223 0.223 0.000 1.989 295 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 295 L C 2.402 179.473 176.870 0.335 0.000 1.071 295 L CA 1.453 56.499 54.840 0.343 0.000 0.749 295 L CB -0.408 41.836 42.059 0.309 0.000 0.890 295 L HN 0.223 nan 8.230 nan 0.000 0.431 296 L N -1.425 119.932 121.223 0.223 0.000 2.109 296 L HA -0.133 4.207 4.340 -0.000 0.000 0.207 296 L C 2.576 179.631 176.870 0.308 0.000 1.086 296 L CA 1.166 56.164 54.840 0.263 0.000 0.760 296 L CB -0.855 41.340 42.059 0.227 0.000 0.910 296 L HN 0.259 nan 8.230 nan 0.000 0.437 297 T N 0.220 114.923 114.554 0.249 0.000 2.746 297 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 297 T C 2.047 176.914 174.700 0.278 0.000 1.039 297 T CA 1.355 63.624 62.100 0.281 0.000 1.142 297 T CB -0.163 68.916 68.868 0.353 0.000 0.866 297 T HN 0.428 nan 8.240 nan 0.000 0.444 298 A N 1.542 124.537 122.820 0.291 0.000 1.873 298 A HA 0.180 4.500 4.320 -0.000 0.000 0.215 298 A C 2.675 180.432 177.584 0.289 0.000 1.186 298 A CA 1.830 54.039 52.037 0.286 0.000 0.616 298 A CB -1.233 17.937 19.000 0.283 0.000 0.823 298 A HN 0.493 nan 8.150 nan 0.000 0.442 299 A N -1.315 121.671 122.820 0.276 0.000 1.883 299 A HA -0.134 4.186 4.320 -0.000 0.000 0.217 299 A C 1.981 179.409 177.584 -0.259 0.000 1.186 299 A CA 1.726 53.719 52.037 -0.073 0.000 0.624 299 A CB -0.847 17.926 19.000 -0.378 0.000 0.822 299 A HN 0.603 nan 8.150 nan 0.000 0.444 300 Y N -0.621 119.742 120.300 0.105 0.000 2.529 300 Y HA 0.313 4.863 4.550 -0.000 0.000 0.290 300 Y C 2.427 178.372 175.900 0.075 0.000 1.177 300 Y CA 0.077 58.217 58.100 0.067 0.000 1.305 300 Y CB -0.300 38.195 38.460 0.059 0.000 1.047 300 Y HN 0.336 nan 8.280 nan 0.000 0.522 301 A N -0.384 122.546 122.820 0.184 0.000 2.072 301 A HA 0.145 4.465 4.320 -0.000 0.000 0.216 301 A C 0.974 178.619 177.584 0.103 0.000 1.156 301 A CA 0.116 52.240 52.037 0.147 0.000 0.701 301 A CB -0.468 18.620 19.000 0.147 0.000 0.816 301 A HN 0.260 nan 8.150 nan 0.000 0.458 302 L N -0.754 120.519 121.223 0.083 0.000 2.466 302 L HA 0.171 4.511 4.340 -0.000 0.000 0.257 302 L C -1.377 175.512 176.870 0.032 0.000 1.189 302 L CA -1.629 53.242 54.840 0.052 0.000 0.813 302 L CB 0.210 42.291 42.059 0.037 0.000 1.118 302 L HN 0.014 nan 8.230 nan 0.000 0.471 303 P HA -0.107 nan 4.420 nan 0.000 0.217 303 P C -0.423 176.869 177.300 -0.014 0.000 1.150 303 P CA 1.069 64.172 63.100 0.006 0.000 0.832 303 P CB 0.267 31.967 31.700 0.001 0.000 0.787 304 Q N -0.589 119.192 119.800 -0.033 0.000 2.340 304 Q HA 0.367 4.707 4.340 -0.000 0.000 0.276 304 Q C -0.745 175.187 176.000 -0.113 0.000 1.048 304 Q CA -0.958 54.805 55.803 -0.066 0.000 0.832 304 Q CB 1.686 30.384 28.738 -0.066 0.000 1.373 304 Q HN -0.035 nan 8.270 nan 0.000 0.409 305 I N 0.467 120.929 120.570 -0.179 0.000 2.882 305 I HA 0.547 4.717 4.170 -0.000 0.000 0.286 305 I C -2.117 173.843 176.117 -0.261 0.000 1.139 305 I CA -1.776 59.346 61.300 -0.297 0.000 1.379 305 I CB 0.374 38.124 38.000 -0.417 0.000 1.410 305 I HN 0.472 nan 8.210 nan 0.000 0.594 306 P HA 0.232 nan 4.420 nan 0.000 0.274 306 P C -2.235 174.926 177.300 -0.232 0.000 1.256 306 P CA -1.373 61.555 63.100 -0.288 0.000 0.795 306 P CB 0.003 31.439 31.700 -0.440 0.000 1.038 307 P HA 0.009 nan 4.420 nan 0.000 0.233 307 P C 0.039 177.278 177.300 -0.102 0.000 1.167 307 P CA 1.099 64.138 63.100 -0.102 0.000 0.770 307 P CB 0.592 32.258 31.700 -0.057 0.000 0.837 308 R N 0.096 120.520 120.500 -0.126 0.000 2.514 308 R HA 0.510 4.850 4.340 -0.000 0.000 0.296 308 R C -0.409 175.810 176.300 -0.136 0.000 1.012 308 R CA -0.639 55.409 56.100 -0.086 0.000 0.897 308 R CB 1.940 32.228 30.300 -0.019 0.000 1.184 308 R HN -0.042 nan 8.270 nan 0.000 0.440 309 I N 4.369 124.882 120.570 -0.095 0.000 2.318 309 I HA 0.127 4.297 4.170 -0.000 0.000 0.285 309 I C -0.330 175.876 176.117 0.148 0.000 1.127 309 I CA -0.251 61.027 61.300 -0.036 0.000 1.243 309 I CB -0.232 37.743 38.000 -0.041 0.000 1.498 309 I HN 0.634 nan 8.210 nan 0.000 0.535 310 D N 3.168 123.693 120.400 0.209 0.000 2.712 310 D HA 0.233 4.872 4.640 -0.000 0.000 0.252 310 D C 1.077 177.509 176.300 0.220 0.000 1.123 310 D CA -0.854 53.247 54.000 0.168 0.000 1.109 310 D CB 0.694 41.540 40.800 0.076 0.000 1.313 310 D HN 0.045 nan 8.370 nan 0.000 0.629 311 R N -0.436 120.107 120.500 0.071 0.000 2.091 311 R HA -0.114 4.226 4.340 -0.000 0.000 0.238 311 R C 1.948 178.344 176.300 0.160 0.000 1.136 311 R CA 1.765 57.898 56.100 0.055 0.000 0.959 311 R CB -0.665 29.443 30.300 -0.320 0.000 0.856 311 R HN 0.507 nan 8.270 nan 0.000 0.437 312 A N 0.557 123.441 122.820 0.107 0.000 1.908 312 A HA -0.211 4.109 4.320 -0.000 0.000 0.218 312 A C 1.972 179.671 177.584 0.192 0.000 1.181 312 A CA 1.410 53.517 52.037 0.115 0.000 0.627 312 A CB -0.830 18.221 19.000 0.084 0.000 0.818 312 A HN 0.553 nan 8.150 nan 0.000 0.445 313 F N -0.791 119.221 119.950 0.105 0.000 2.102 313 F HA -0.186 4.341 4.527 0.000 0.000 0.298 313 F C 2.081 177.998 175.800 0.195 0.000 1.105 313 F CA 1.644 59.715 58.000 0.119 0.000 1.239 313 F CB -0.791 38.274 39.000 0.108 0.000 0.991 313 F HN 0.367 nan 8.300 nan 0.000 0.474 314 Y N 1.601 121.903 120.300 0.004 0.000 2.151 314 Y HA -0.238 4.312 4.550 -0.000 0.000 0.284 314 Y C 2.272 178.190 175.900 0.030 0.000 1.166 314 Y CA 2.420 60.517 58.100 -0.006 0.000 1.163 314 Y CB -0.695 37.884 38.460 0.199 0.000 0.974 314 Y HN 0.295 nan 8.280 nan 0.000 0.511 315 E N -0.994 119.234 120.200 0.046 0.000 2.285 315 E HA -0.115 4.235 4.350 -0.000 0.000 0.194 315 E C 2.234 178.766 176.600 -0.114 0.000 0.997 315 E CA 0.951 57.320 56.400 -0.052 0.000 0.845 315 E CB -0.188 29.541 29.700 0.047 0.000 0.782 315 E HN 0.545 nan 8.360 nan 0.000 0.491 316 S N 0.759 116.397 115.700 -0.103 0.000 2.453 316 S HA -0.041 4.429 4.470 -0.000 0.000 0.231 316 S C 1.946 176.430 174.600 -0.192 0.000 1.005 316 S CA 0.431 58.572 58.200 -0.100 0.000 0.949 316 S CB -0.247 62.947 63.200 -0.011 0.000 0.774 316 S HN 0.185 nan 8.310 nan 0.000 0.510 317 L N 0.550 121.584 121.223 -0.316 0.000 2.313 317 L HA 0.284 4.624 4.340 -0.000 0.000 0.214 317 L C 2.151 178.748 176.870 -0.456 0.000 1.119 317 L CA 0.690 55.313 54.840 -0.362 0.000 0.809 317 L CB -0.555 41.296 42.059 -0.348 0.000 0.933 317 L HN 0.640 nan 8.230 nan 0.000 0.449 318 G N -2.190 106.350 108.800 -0.433 0.000 2.229 318 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.189 318 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.189 318 G C -0.031 174.572 174.900 -0.496 0.000 1.000 318 G CA -0.631 44.207 45.100 -0.436 0.000 0.663 318 G HN 0.112 nan 8.290 nan 0.000 0.493 319 Y N 1.050 121.111 120.300 -0.399 0.000 2.298 319 Y HA 0.629 5.179 4.550 -0.000 0.000 0.329 319 Y C 0.816 176.536 175.900 -0.299 0.000 1.293 319 Y CA -0.024 57.803 58.100 -0.456 0.000 1.388 319 Y CB 1.099 38.947 38.460 -1.020 0.000 1.309 319 Y HN 0.443 nan 8.280 nan 0.000 0.544 320 A N 2.330 125.179 122.820 0.050 0.000 2.287 320 A HA 0.170 4.490 4.320 -0.000 0.000 0.317 320 A C 0.500 178.182 177.584 0.163 0.000 1.220 320 A CA -0.831 51.257 52.037 0.085 0.000 0.835 320 A CB 0.080 19.102 19.000 0.037 0.000 1.180 320 A HN 1.096 nan 8.150 nan 0.000 0.500 321 W N 2.544 123.875 121.300 0.052 0.000 2.342 321 W HA -0.137 4.523 4.660 0.000 0.000 0.297 321 W C 0.558 176.747 176.519 -0.550 0.000 1.213 321 W CA 2.034 59.330 57.345 -0.083 0.000 1.251 321 W CB 0.201 29.620 29.460 -0.069 0.000 1.136 321 W HN 0.799 nan 8.180 nan 0.000 0.526 322 E N 0.256 120.281 120.200 -0.291 0.000 2.478 322 E HA -0.049 4.301 4.350 -0.000 0.000 0.198 322 E C 1.991 178.365 176.600 -0.377 0.000 1.046 322 E CA 0.891 57.019 56.400 -0.453 0.000 0.870 322 E CB -0.324 29.349 29.700 -0.044 0.000 0.818 322 E HN 0.325 nan 8.360 nan 0.000 0.527 323 A N 0.013 122.671 122.820 -0.271 0.000 2.218 323 A HA 0.025 4.345 4.320 -0.000 0.000 0.209 323 A C 0.320 177.893 177.584 -0.019 0.000 1.168 323 A CA -0.326 51.672 52.037 -0.066 0.000 0.804 323 A CB -0.576 18.430 19.000 0.011 0.000 0.834 323 A HN 0.192 nan 8.150 nan 0.000 0.482 324 F N -0.946 118.922 119.950 -0.137 0.000 2.861 324 F HA -0.240 4.287 4.527 -0.000 0.000 0.230 324 F C 1.575 177.307 175.800 -0.114 0.000 1.020 324 F CA 1.290 59.156 58.000 -0.224 0.000 0.852 324 F CB -1.757 37.105 39.000 -0.230 0.000 0.724 324 F HN 0.669 nan 8.300 nan 0.000 0.843 325 G N -0.870 107.966 108.800 0.059 0.000 2.199 325 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.254 325 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.254 325 G C 1.243 176.204 174.900 0.101 0.000 0.982 325 G CA 0.238 45.386 45.100 0.079 0.000 0.632 325 G HN 0.519 nan 8.290 nan 0.000 0.529 326 R N 0.852 121.412 120.500 0.099 0.000 2.276 326 R HA 0.083 4.423 4.340 -0.000 0.000 0.203 326 R C 0.611 176.970 176.300 0.097 0.000 1.017 326 R CA 1.032 57.188 56.100 0.093 0.000 1.010 326 R CB -0.059 30.290 30.300 0.082 0.000 0.900 326 R HN 0.588 nan 8.270 nan 0.000 0.469 327 D N 0.769 121.240 120.400 0.119 0.000 2.943 327 D HA 0.036 4.676 4.640 -0.000 0.000 0.249 327 D C 0.268 176.683 176.300 0.190 0.000 1.231 327 D CA -0.195 53.883 54.000 0.130 0.000 0.979 327 D CB 0.433 41.308 40.800 0.125 0.000 1.053 327 D HN -0.024 nan 8.370 nan 0.000 0.504 328 K N 0.550 121.044 120.400 0.157 0.000 2.209 328 K HA -0.176 4.144 4.320 -0.000 0.000 0.204 328 K C 1.644 178.330 176.600 0.145 0.000 1.048 328 K CA 1.272 57.664 56.287 0.175 0.000 0.940 328 K CB 0.088 32.662 32.500 0.124 0.000 0.729 328 K HN 0.510 nan 8.250 nan 0.000 0.451 329 E N 0.815 121.066 120.200 0.085 0.000 2.418 329 E HA 0.007 4.357 4.350 -0.000 0.000 0.197 329 E C 0.687 177.283 176.600 -0.008 0.000 1.026 329 E CA 0.252 56.672 56.400 0.034 0.000 0.862 329 E CB 0.098 29.807 29.700 0.016 0.000 0.799 329 E HN 0.179 nan 8.360 nan 0.000 0.518 330 A N 1.113 123.922 122.820 -0.017 0.000 2.275 330 A HA 0.620 4.940 4.320 -0.000 0.000 0.282 330 A C 0.936 178.263 177.584 -0.428 0.000 1.275 330 A CA 0.136 52.044 52.037 -0.214 0.000 0.842 330 A CB -0.332 18.508 19.000 -0.267 0.000 1.280 330 A HN 0.548 nan 8.150 nan 0.000 0.508 331 G N -1.767 106.532 108.800 -0.836 0.000 2.781 331 G HA2 0.014 3.974 3.960 -0.000 0.000 0.683 331 G HA3 0.014 3.974 3.960 -0.000 0.000 0.683 331 G C -2.597 172.114 174.900 -0.316 0.000 1.390 331 G CA -0.315 44.255 45.100 -0.884 0.000 0.850 331 G HN 0.898 nan 8.290 nan 0.000 0.557 332 P HA 0.229 nan 4.420 nan 0.000 0.270 332 P C 0.718 177.997 177.300 -0.035 0.000 1.223 332 P CA -0.065 62.986 63.100 -0.082 0.000 0.785 332 P CB 0.743 32.424 31.700 -0.033 0.000 0.923 333 E N 1.219 121.403 120.200 -0.027 0.000 2.160 333 E HA -0.203 4.147 4.350 -0.000 0.000 0.195 333 E C 1.691 178.294 176.600 0.005 0.000 0.991 333 E CA 1.316 57.708 56.400 -0.014 0.000 0.810 333 E CB -0.154 29.538 29.700 -0.014 0.000 0.742 333 E HN 0.628 nan 8.360 nan 0.000 0.466 334 E N 0.206 120.419 120.200 0.022 0.000 2.106 334 E HA -0.111 4.239 4.350 -0.000 0.000 0.192 334 E C 2.027 178.657 176.600 0.050 0.000 0.984 334 E CA 0.836 57.259 56.400 0.039 0.000 0.806 334 E CB 0.322 30.056 29.700 0.057 0.000 0.750 334 E HN 0.015 nan 8.360 nan 0.000 0.458 335 V N 0.669 120.630 119.914 0.077 0.000 2.488 335 V HA -0.149 3.971 4.120 -0.000 0.000 0.246 335 V C 2.426 178.535 176.094 0.025 0.000 1.046 335 V CA 1.600 63.970 62.300 0.115 0.000 1.053 335 V CB -0.470 31.496 31.823 0.238 0.000 0.679 335 V HN 0.216 nan 8.190 nan 0.000 0.458 336 R N 0.394 120.914 120.500 0.034 0.000 2.091 336 R HA -0.161 4.179 4.340 -0.000 0.000 0.238 336 R C 2.521 178.785 176.300 -0.061 0.000 1.136 336 R CA 1.659 57.759 56.100 0.001 0.000 0.959 336 R CB -0.133 30.166 30.300 -0.002 0.000 0.856 336 R HN 0.439 nan 8.270 nan 0.000 0.437 337 R N -0.361 120.109 120.500 -0.049 0.000 2.115 337 R HA -0.011 4.328 4.340 -0.000 0.000 0.226 337 R C 2.280 178.522 176.300 -0.097 0.000 1.100 337 R CA 1.025 57.093 56.100 -0.054 0.000 0.980 337 R CB -0.218 30.068 30.300 -0.023 0.000 0.875 337 R HN 0.241 nan 8.270 nan 0.000 0.445 338 A N 1.439 124.178 122.820 -0.136 0.000 1.898 338 A HA -0.208 4.112 4.320 -0.000 0.000 0.216 338 A C 2.044 179.329 177.584 -0.497 0.000 1.181 338 A CA 1.434 53.351 52.037 -0.200 0.000 0.620 338 A CB -0.328 18.606 19.000 -0.109 0.000 0.819 338 A HN 0.381 nan 8.150 nan 0.000 0.442 339 E N -0.201 119.529 120.200 -0.783 0.000 2.150 339 E HA -0.044 4.306 4.350 -0.000 0.000 0.193 339 E C 2.010 178.459 176.600 -0.252 0.000 0.985 339 E CA 0.896 56.736 56.400 -0.933 0.000 0.814 339 E CB -0.226 29.075 29.700 -0.665 0.000 0.752 339 E HN 0.530 nan 8.360 nan 0.000 0.466 340 A N 1.103 123.827 122.820 -0.159 0.000 1.930 340 A HA -0.111 4.209 4.320 -0.000 0.000 0.217 340 A C 2.121 179.678 177.584 -0.044 0.000 1.175 340 A CA 1.079 53.078 52.037 -0.063 0.000 0.627 340 A CB -0.322 18.650 19.000 -0.047 0.000 0.815 340 A HN 0.152 nan 8.150 nan 0.000 0.443 341 R N -2.119 118.352 120.500 -0.048 0.000 2.092 341 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 341 R C 2.109 178.422 176.300 0.021 0.000 1.119 341 R CA 1.554 57.647 56.100 -0.012 0.000 0.970 341 R CB -0.474 29.828 30.300 0.003 0.000 0.864 341 R HN 0.709 nan 8.270 nan 0.000 0.440 342 Y N 2.247 122.508 120.300 -0.066 0.000 2.163 342 Y HA -0.186 4.364 4.550 0.000 0.000 0.288 342 Y C 1.604 177.512 175.900 0.013 0.000 1.136 342 Y CA 1.528 59.636 58.100 0.013 0.000 1.147 342 Y CB -0.199 38.321 38.460 0.101 0.000 0.987 342 Y HN -0.036 nan 8.280 nan 0.000 0.509 343 D N 0.255 120.578 120.400 -0.129 0.000 2.263 343 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 343 D C 1.791 177.987 176.300 -0.172 0.000 0.971 343 D CA 1.349 55.239 54.000 -0.184 0.000 0.867 343 D CB -0.133 40.652 40.800 -0.025 0.000 0.929 343 D HN 0.634 nan 8.370 nan 0.000 0.492 344 E N 0.014 120.138 120.200 -0.127 0.000 2.152 344 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 344 E C 2.016 178.545 176.600 -0.117 0.000 0.983 344 E CA 0.799 57.143 56.400 -0.094 0.000 0.818 344 E CB 0.346 30.013 29.700 -0.056 0.000 0.758 344 E HN 0.274 nan 8.360 nan 0.000 0.467 345 V N -2.362 117.453 119.914 -0.165 0.000 3.528 345 V HA 0.435 4.555 4.120 -0.000 0.000 0.294 345 V C 0.805 176.763 176.094 -0.227 0.000 1.404 345 V CA -0.140 62.070 62.300 -0.151 0.000 1.065 345 V CB 0.076 31.845 31.823 -0.091 0.000 0.904 345 V HN 0.038 nan 8.190 nan 0.000 0.435 346 A N 2.124 124.699 122.820 -0.409 0.000 2.558 346 A HA 0.138 4.458 4.320 -0.000 0.000 0.262 346 A C 0.693 178.149 177.584 -0.214 0.000 1.049 346 A CA 0.780 52.531 52.037 -0.477 0.000 0.804 346 A CB -0.397 18.245 19.000 -0.597 0.000 0.957 346 A HN 0.759 nan 8.150 nan 0.000 0.520 353 E N 0.700 120.867 120.200 -0.054 0.000 2.216 353 E HA 0.053 4.403 4.350 -0.000 0.000 0.192 353 E C 0.348 176.921 176.600 -0.046 0.000 0.988 353 E CA 0.225 56.596 56.400 -0.049 0.000 0.834 353 E CB 0.293 29.956 29.700 -0.061 0.000 0.772 353 E HN 0.260 nan 8.360 nan 0.000 0.479 354 I N 3.486 124.020 120.570 -0.061 0.000 2.587 354 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 354 I C -2.069 174.039 176.117 -0.015 0.000 1.134 354 I CA -1.789 59.487 61.300 -0.039 0.000 1.410 354 I CB 0.468 38.433 38.000 -0.058 0.000 1.392 354 I HN -0.040 nan 8.210 nan 0.000 0.545 355 P HA 0.038 nan 4.420 nan 0.000 0.265 355 P C -0.781 176.511 177.300 -0.013 0.000 1.193 355 P CA 0.088 63.187 63.100 -0.003 0.000 0.765 355 P CB 0.478 32.182 31.700 0.007 0.000 0.823 356 E N 1.852 122.039 120.200 -0.020 0.000 2.166 356 E HA 0.449 4.799 4.350 -0.000 0.000 0.275 356 E C -0.773 175.810 176.600 -0.030 0.000 0.941 356 E CA -0.666 55.717 56.400 -0.028 0.000 0.784 356 E CB 2.049 31.732 29.700 -0.029 0.000 1.115 356 E HN 0.078 nan 8.360 nan 0.000 0.399 357 V N 1.914 121.806 119.914 -0.038 0.000 2.686 357 V HA 0.316 4.436 4.120 -0.000 0.000 0.306 357 V C 0.035 176.106 176.094 -0.039 0.000 1.065 357 V CA -0.878 61.400 62.300 -0.037 0.000 0.894 357 V CB 2.170 33.965 31.823 -0.046 0.000 1.004 357 V HN 0.814 nan 8.190 nan 0.000 0.424 358 T N 3.240 117.776 114.554 -0.030 0.000 2.875 358 T HA 0.699 5.049 4.350 -0.000 0.000 0.284 358 T C -0.511 174.174 174.700 -0.025 0.000 0.995 358 T CA -0.604 61.480 62.100 -0.027 0.000 1.060 358 T CB 1.106 69.962 68.868 -0.020 0.000 0.967 358 T HN 0.287 nan 8.240 nan 0.000 0.476 359 I N 3.752 124.307 120.570 -0.024 0.000 2.336 359 I HA 0.375 4.545 4.170 -0.000 0.000 0.292 359 I C -2.320 173.792 176.117 -0.009 0.000 0.991 359 I CA -3.096 58.193 61.300 -0.018 0.000 1.227 359 I CB 0.872 38.859 38.000 -0.021 0.000 1.366 359 I HN 0.487 nan 8.210 nan 0.000 0.466 360 P HA 0.133 nan 4.420 nan 0.000 0.268 360 P C 0.584 177.887 177.300 0.006 0.000 1.204 360 P CA -0.089 63.013 63.100 0.002 0.000 0.768 360 P CB 0.890 32.593 31.700 0.005 0.000 0.842 361 A N 3.071 125.895 122.820 0.006 0.000 1.978 361 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 361 A C 2.031 179.622 177.584 0.012 0.000 1.170 361 A CA 2.129 54.170 52.037 0.008 0.000 0.636 361 A CB -1.504 17.500 19.000 0.006 0.000 0.810 361 A HN 0.598 nan 8.150 nan 0.000 0.448 362 S N -0.564 115.143 115.700 0.012 0.000 2.507 362 S HA -0.077 4.393 4.470 -0.000 0.000 0.235 362 S C 1.311 175.924 174.600 0.021 0.000 0.988 362 S CA 1.070 59.279 58.200 0.015 0.000 0.944 362 S CB -0.168 63.040 63.200 0.014 0.000 0.762 362 S HN 0.551 nan 8.310 nan 0.000 0.526 363 E N 0.400 120.613 120.200 0.023 0.000 2.371 363 E HA 0.207 4.557 4.350 -0.000 0.000 0.194 363 E C -0.210 176.415 176.600 0.041 0.000 1.012 363 E CA 0.137 56.557 56.400 0.033 0.000 0.860 363 E CB -0.126 29.592 29.700 0.029 0.000 0.811 363 E HN 0.448 nan 8.360 nan 0.000 0.502 364 L N 0.992 122.234 121.223 0.032 0.000 2.350 364 L HA 0.225 4.565 4.340 -0.000 0.000 0.275 364 L C 0.394 177.282 176.870 0.030 0.000 1.099 364 L CA 0.119 54.979 54.840 0.034 0.000 0.808 364 L CB 0.907 42.980 42.059 0.025 0.000 1.149 364 L HN -0.267 nan 8.230 nan 0.000 0.442 365 K N 3.051 123.470 120.400 0.032 0.000 2.404 365 K HA 0.240 4.560 4.320 -0.000 0.000 0.257 365 K C -0.197 176.413 176.600 0.016 0.000 1.026 365 K CA -0.265 56.035 56.287 0.021 0.000 0.951 365 K CB 0.216 32.727 32.500 0.020 0.000 1.203 365 K HN 0.623 nan 8.250 nan 0.000 0.446 366 E N 2.849 123.056 120.200 0.011 0.000 2.340 366 E HA -0.240 4.110 4.350 -0.000 0.000 0.240 366 E C 0.459 177.065 176.600 0.011 0.000 1.154 366 E CA 0.788 57.193 56.400 0.008 0.000 0.717 366 E CB -1.325 28.378 29.700 0.004 0.000 1.250 366 E HN 1.178 nan 8.360 nan 0.000 0.386 367 G N -0.631 108.177 108.800 0.013 0.000 2.234 367 G HA2 -0.359 3.601 3.960 -0.000 0.000 0.260 367 G HA3 -0.359 3.601 3.960 -0.000 0.000 0.260 367 G C 0.342 175.254 174.900 0.020 0.000 0.987 367 G CA 0.630 45.738 45.100 0.013 0.000 0.625 367 G HN 0.393 nan 8.290 nan 0.000 0.532 368 R N -0.642 119.875 120.500 0.028 0.000 2.892 368 R HA 0.863 5.203 4.340 -0.000 0.000 0.265 368 R C -0.773 175.564 176.300 0.061 0.000 1.025 368 R CA -0.748 55.377 56.100 0.042 0.000 0.982 368 R CB 2.148 32.473 30.300 0.043 0.000 1.185 368 R HN 0.289 nan 8.270 nan 0.000 0.484 369 I N 0.250 120.873 120.570 0.087 0.000 2.722 369 I HA 0.265 4.435 4.170 -0.000 0.000 0.295 369 I C -1.281 174.964 176.117 0.214 0.000 1.161 369 I CA -0.901 60.475 61.300 0.128 0.000 1.032 369 I CB 1.674 39.729 38.000 0.092 0.000 1.244 369 I HN 0.641 nan 8.210 nan 0.000 0.421 370 W N 6.792 128.108 121.300 0.027 0.000 2.322 370 W HA 0.110 4.770 4.660 -0.000 0.000 0.328 370 W C 0.935 177.492 176.519 0.064 0.000 1.395 370 W CA -0.021 57.346 57.345 0.037 0.000 1.267 370 W CB 0.731 30.209 29.460 0.029 0.000 1.259 370 W HN 0.432 nan 8.180 nan 0.000 0.560 371 V N 7.168 127.172 119.914 0.151 0.000 2.392 371 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 371 V C 2.039 178.050 176.094 -0.139 0.000 1.059 371 V CA 3.080 65.407 62.300 0.045 0.000 1.051 371 V CB -0.851 31.038 31.823 0.108 0.000 0.658 371 V HN 0.775 nan 8.190 nan 0.000 0.455 372 A N 0.408 122.759 122.820 -0.782 0.000 1.883 372 A HA -0.271 4.049 4.320 -0.000 0.000 0.217 372 A C 2.279 179.565 177.584 -0.496 0.000 1.186 372 A CA 2.206 53.711 52.037 -0.886 0.000 0.624 372 A CB -0.731 17.133 19.000 -1.893 0.000 0.822 372 A HN 0.577 nan 8.150 nan 0.000 0.444 373 R N -0.535 119.699 120.500 -0.443 0.000 2.096 373 R HA -0.078 4.262 4.340 -0.000 0.000 0.235 373 R C 1.810 178.082 176.300 -0.047 0.000 1.127 373 R CA 1.599 57.626 56.100 -0.121 0.000 0.968 373 R CB -0.987 29.353 30.300 0.066 0.000 0.861 373 R HN 0.392 nan 8.270 nan 0.000 0.440 374 L N -0.416 120.791 121.223 -0.027 0.000 2.046 374 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 374 L C 1.853 178.669 176.870 -0.091 0.000 1.077 374 L CA 1.739 56.552 54.840 -0.045 0.000 0.747 374 L CB -0.632 41.402 42.059 -0.042 0.000 0.896 374 L HN 0.176 nan 8.230 nan 0.000 0.432 375 F N -0.933 118.935 119.950 -0.136 0.000 2.234 375 F HA -0.156 4.371 4.527 0.000 0.000 0.299 375 F C 2.375 178.111 175.800 -0.107 0.000 1.087 375 F CA 1.600 59.527 58.000 -0.121 0.000 1.340 375 F CB -0.898 38.014 39.000 -0.147 0.000 1.031 375 F HN 0.034 nan 8.300 nan 0.000 0.500 376 T N 0.306 114.887 114.554 0.045 0.000 2.770 376 T HA -0.113 4.237 4.350 -0.000 0.000 0.263 376 T C 2.233 176.926 174.700 -0.012 0.000 1.039 376 T CA 1.006 63.106 62.100 -0.000 0.000 1.142 376 T CB -0.500 68.348 68.868 -0.034 0.000 0.868 376 T HN 0.144 nan 8.240 nan 0.000 0.435 377 L N 0.854 122.063 121.223 -0.023 0.000 2.083 377 L HA -0.079 4.260 4.340 -0.000 0.000 0.209 377 L C 2.836 179.683 176.870 -0.040 0.000 1.083 377 L CA 1.141 55.965 54.840 -0.026 0.000 0.752 377 L CB -0.523 41.521 42.059 -0.026 0.000 0.899 377 L HN 0.249 nan 8.230 nan 0.000 0.433 378 A N -0.681 122.098 122.820 -0.067 0.000 2.209 378 A HA 0.148 4.468 4.320 -0.000 0.000 0.212 378 A C 1.807 179.361 177.584 -0.050 0.000 1.158 378 A CA 0.929 52.916 52.037 -0.084 0.000 0.742 378 A CB -0.555 18.345 19.000 -0.166 0.000 0.790 378 A HN 0.570 nan 8.150 nan 0.000 0.472 379 G N -1.465 107.319 108.800 -0.027 0.000 2.159 379 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.256 379 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.256 379 G C 0.775 175.678 174.900 0.005 0.000 0.977 379 G CA 0.502 45.596 45.100 -0.010 0.000 0.652 379 G HN 0.440 nan 8.290 nan 0.000 0.531 380 L N 0.639 121.875 121.223 0.022 0.000 2.240 380 L HA 0.215 4.555 4.340 -0.000 0.000 0.211 380 L C 1.692 178.605 176.870 0.072 0.000 1.106 380 L CA 1.630 56.510 54.840 0.066 0.000 0.793 380 L CB -0.093 42.057 42.059 0.152 0.000 0.927 380 L HN 0.588 nan 8.230 nan 0.000 0.446 381 T N -5.133 109.458 114.554 0.062 0.000 2.900 381 T HA 0.349 4.699 4.350 -0.000 0.000 0.295 381 T C -2.163 172.535 174.700 -0.003 0.000 1.044 381 T CA -1.730 60.379 62.100 0.014 0.000 0.995 381 T CB 2.136 70.996 68.868 -0.013 0.000 1.072 381 T HN -0.232 nan 8.240 nan 0.000 0.473 382 P HA 0.098 nan 4.420 nan 0.000 0.229 382 P C 0.309 177.598 177.300 -0.018 0.000 1.160 382 P CA 0.246 63.338 63.100 -0.013 0.000 0.777 382 P CB 0.140 31.832 31.700 -0.013 0.000 0.814 383 S N -2.352 113.329 115.700 -0.033 0.000 2.615 383 S HA 0.269 4.739 4.470 -0.000 0.000 0.268 383 S C 0.585 175.132 174.600 -0.088 0.000 1.146 383 S CA -0.847 57.329 58.200 -0.040 0.000 0.818 383 S CB 0.243 63.431 63.200 -0.020 0.000 1.111 383 S HN -0.232 nan 8.310 nan 0.000 0.465 384 N N 1.116 119.747 118.700 -0.116 0.000 2.166 384 N HA -0.061 4.679 4.740 -0.000 0.000 0.186 384 N C 1.985 177.390 175.510 -0.175 0.000 1.019 384 N CA 1.666 54.557 53.050 -0.264 0.000 0.856 384 N CB -0.997 37.290 38.487 -0.332 0.000 0.993 384 N HN 0.806 nan 8.380 nan 0.000 0.426 385 A N 1.240 124.027 122.820 -0.054 0.000 1.902 385 A HA -0.178 4.142 4.320 -0.000 0.000 0.217 385 A C 2.244 179.796 177.584 -0.053 0.000 1.181 385 A CA 1.700 53.727 52.037 -0.018 0.000 0.623 385 A CB -0.486 18.520 19.000 0.010 0.000 0.818 385 A HN 0.254 nan 8.150 nan 0.000 0.443 386 E N 0.293 120.453 120.200 -0.067 0.000 2.106 386 E HA -0.024 4.326 4.350 -0.000 0.000 0.192 386 E C 1.983 178.511 176.600 -0.121 0.000 0.984 386 E CA 1.476 57.831 56.400 -0.075 0.000 0.806 386 E CB -0.488 29.176 29.700 -0.060 0.000 0.750 386 E HN 0.455 nan 8.360 nan 0.000 0.458 387 A N 0.945 123.664 122.820 -0.168 0.000 1.902 387 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 387 A C 2.203 179.634 177.584 -0.254 0.000 1.181 387 A CA 1.650 53.528 52.037 -0.266 0.000 0.623 387 A CB -0.473 18.327 19.000 -0.334 0.000 0.818 387 A HN 0.213 nan 8.150 nan 0.000 0.443 388 R N -1.001 119.391 120.500 -0.180 0.000 2.081 388 R HA -0.118 4.222 4.340 -0.000 0.000 0.235 388 R C 2.503 178.751 176.300 -0.087 0.000 1.131 388 R CA 1.440 57.479 56.100 -0.102 0.000 0.960 388 R CB -0.353 29.942 30.300 -0.008 0.000 0.856 388 R HN 0.582 nan 8.270 nan 0.000 0.436 389 R N 1.242 121.694 120.500 -0.081 0.000 2.081 389 R HA -0.093 4.247 4.340 -0.000 0.000 0.235 389 R C 2.252 178.500 176.300 -0.087 0.000 1.131 389 R CA 1.235 57.295 56.100 -0.066 0.000 0.960 389 R CB -0.222 30.045 30.300 -0.055 0.000 0.856 389 R HN 0.172 nan 8.270 nan 0.000 0.436 390 L N 0.349 121.498 121.223 -0.124 0.000 2.131 390 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 390 L C 2.388 179.165 176.870 -0.155 0.000 1.092 390 L CA 1.018 55.773 54.840 -0.142 0.000 0.759 390 L CB -0.310 41.637 42.059 -0.186 0.000 0.903 390 L HN 0.269 nan 8.230 nan 0.000 0.435 391 I N -0.484 119.980 120.570 -0.176 0.000 2.202 391 I HA -0.289 3.881 4.170 -0.000 0.000 0.242 391 I C 2.534 178.596 176.117 -0.092 0.000 1.091 391 I CA 1.275 62.482 61.300 -0.155 0.000 1.368 391 I CB -0.254 37.653 38.000 -0.155 0.000 1.058 391 I HN 0.319 nan 8.210 nan 0.000 0.410 392 Q N 0.467 120.224 119.800 -0.071 0.000 2.234 392 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 392 Q C 1.180 177.152 176.000 -0.046 0.000 0.980 392 Q CA 1.062 56.837 55.803 -0.046 0.000 0.869 392 Q CB -0.105 28.612 28.738 -0.034 0.000 0.912 392 Q HN 0.468 nan 8.270 nan 0.000 0.436 393 N N 0.200 118.865 118.700 -0.058 0.000 2.268 393 N HA 0.104 4.844 4.740 -0.000 0.000 0.204 393 N C -0.595 174.882 175.510 -0.055 0.000 1.124 393 N CA 0.089 53.108 53.050 -0.051 0.000 0.838 393 N CB 0.540 38.996 38.487 -0.052 0.000 0.994 393 N HN 0.143 nan 8.380 nan 0.000 0.489 394 R N -0.972 119.490 120.500 -0.064 0.000 3.641 394 R HA -0.163 4.177 4.340 -0.000 0.000 0.286 394 R C 0.976 177.232 176.300 -0.072 0.000 1.153 394 R CA 0.589 56.652 56.100 -0.062 0.000 0.775 394 R CB -2.133 28.143 30.300 -0.041 0.000 1.215 394 R HN 0.251 nan 8.270 nan 0.000 0.474 395 G N -0.202 108.540 108.800 -0.096 0.000 3.042 395 G HA2 0.243 4.203 3.960 -0.000 0.000 0.212 395 G HA3 0.243 4.203 3.960 -0.000 0.000 0.212 395 G C 0.384 175.208 174.900 -0.128 0.000 1.166 395 G CA -0.085 44.955 45.100 -0.100 0.000 0.767 395 G HN 0.097 nan 8.290 nan 0.000 0.546 396 L N 0.109 121.233 121.223 -0.166 0.000 2.362 396 L HA 0.656 4.996 4.340 -0.000 0.000 0.271 396 L C -0.280 176.537 176.870 -0.089 0.000 1.002 396 L CA -0.986 53.735 54.840 -0.199 0.000 0.818 396 L CB 2.377 44.110 42.059 -0.543 0.000 1.298 396 L HN -0.073 nan 8.230 nan 0.000 0.420 397 R N 1.985 122.504 120.500 0.032 0.000 2.750 397 R HA 0.692 5.032 4.340 -0.000 0.000 0.281 397 R C -1.578 174.836 176.300 0.190 0.000 0.972 397 R CA -0.920 55.223 56.100 0.071 0.000 0.912 397 R CB 2.813 33.127 30.300 0.023 0.000 1.187 397 R HN 0.311 nan 8.270 nan 0.000 0.464 398 L N 2.730 124.039 121.223 0.143 0.000 2.343 398 L HA 0.369 4.709 4.340 -0.000 0.000 0.278 398 L C -0.842 176.074 176.870 0.077 0.000 0.996 398 L CA 0.052 54.973 54.840 0.134 0.000 0.831 398 L CB 1.334 43.482 42.059 0.148 0.000 1.232 398 L HN 0.654 nan 8.230 nan 0.000 0.413 399 D N 4.408 124.845 120.400 0.062 0.000 2.772 399 D HA -0.198 4.442 4.640 -0.000 0.000 0.233 399 D C 1.094 177.431 176.300 0.062 0.000 1.143 399 D CA 1.596 55.628 54.000 0.054 0.000 0.700 399 D CB -1.085 39.737 40.800 0.038 0.000 1.076 399 D HN 1.294 nan 8.370 nan 0.000 0.430 400 G N -0.056 108.791 108.800 0.079 0.000 2.184 400 G HA2 -0.358 3.602 3.960 -0.000 0.000 0.264 400 G HA3 -0.358 3.602 3.960 -0.000 0.000 0.264 400 G C 0.079 175.010 174.900 0.052 0.000 0.975 400 G CA 0.619 45.765 45.100 0.076 0.000 0.642 400 G HN 0.562 nan 8.290 nan 0.000 0.536 401 E N 0.171 120.399 120.200 0.048 0.000 2.166 401 E HA 0.511 4.861 4.350 -0.000 0.000 0.275 401 E C 0.462 177.079 176.600 0.028 0.000 0.941 401 E CA -0.825 55.596 56.400 0.035 0.000 0.784 401 E CB 1.535 31.256 29.700 0.035 0.000 1.115 401 E HN 0.085 nan 8.360 nan 0.000 0.399 402 V N 5.640 125.562 119.914 0.013 0.000 2.540 402 V HA -0.020 4.100 4.120 -0.000 0.000 0.297 402 V C 0.544 176.633 176.094 -0.007 0.000 1.024 402 V CA 0.273 62.570 62.300 -0.005 0.000 1.105 402 V CB 0.090 31.906 31.823 -0.012 0.000 0.938 402 V HN 0.629 nan 8.190 nan 0.000 0.482 403 L N 5.234 126.441 121.223 -0.026 0.000 2.397 403 L HA 0.337 4.677 4.340 -0.000 0.000 0.271 403 L C 1.279 178.126 176.870 -0.038 0.000 1.148 403 L CA 0.370 55.192 54.840 -0.030 0.000 0.825 403 L CB 1.337 43.352 42.059 -0.073 0.000 1.117 403 L HN 0.940 nan 8.230 nan 0.000 0.456 404 T N -3.927 110.617 114.554 -0.017 0.000 2.992 404 T HA 0.073 4.423 4.350 -0.000 0.000 0.255 404 T C 0.281 174.981 174.700 0.001 0.000 0.938 404 T CA -0.322 61.770 62.100 -0.014 0.000 0.895 404 T CB 0.233 69.098 68.868 -0.005 0.000 1.221 404 T HN 0.376 nan 8.240 nan 0.000 0.512 405 D N 3.917 124.327 120.400 0.017 0.000 2.456 405 D HA 0.288 4.928 4.640 -0.000 0.000 0.219 405 D C -1.329 175.015 176.300 0.073 0.000 1.126 405 D CA -2.299 51.727 54.000 0.043 0.000 0.890 405 D CB 1.937 42.769 40.800 0.053 0.000 1.025 405 D HN 0.090 nan 8.370 nan 0.000 0.511 406 P HA -0.120 nan 4.420 nan 0.000 0.223 406 P C 1.013 178.533 177.300 0.367 0.000 1.144 406 P CA 0.686 63.868 63.100 0.136 0.000 0.783 406 P CB 0.327 32.094 31.700 0.111 0.000 0.771 407 M N -1.443 118.334 119.600 0.296 0.000 2.383 407 M HA 0.156 4.636 4.480 -0.000 0.000 0.247 407 M C 0.699 177.163 176.300 0.273 0.000 1.117 407 M CA -1.104 54.384 55.300 0.312 0.000 0.995 407 M CB -0.740 31.886 32.600 0.043 0.000 1.480 407 M HN -0.063 nan 8.290 nan 0.000 0.485 408 L N 2.413 123.786 121.223 0.251 0.000 2.593 408 L HA -0.076 4.264 4.340 -0.000 0.000 0.287 408 L C 0.032 177.057 176.870 0.258 0.000 1.243 408 L CA 1.183 56.135 54.840 0.187 0.000 0.890 408 L CB 0.247 42.386 42.059 0.133 0.000 1.134 408 L HN 0.295 nan 8.230 nan 0.000 0.502 409 Q N 3.831 123.731 119.800 0.167 0.000 2.333 409 Q HA 0.618 4.958 4.340 -0.000 0.000 0.267 409 Q C -1.283 174.785 176.000 0.112 0.000 1.012 409 Q CA -0.913 54.987 55.803 0.162 0.000 0.824 409 Q CB 2.381 31.180 28.738 0.101 0.000 1.290 409 Q HN 0.563 nan 8.270 nan 0.000 0.449 410 V N 1.147 121.127 119.914 0.110 0.000 2.715 410 V HA 0.346 4.466 4.120 -0.000 0.000 0.310 410 V C -0.499 175.627 176.094 0.052 0.000 1.054 410 V CA -0.956 61.388 62.300 0.073 0.000 0.928 410 V CB 1.938 33.802 31.823 0.069 0.000 1.007 410 V HN 0.867 nan 8.190 nan 0.000 0.437 411 D N 2.214 122.635 120.400 0.035 0.000 2.272 411 D HA 0.527 5.167 4.640 -0.000 0.000 0.247 411 D C -0.222 176.084 176.300 0.011 0.000 0.990 411 D CA -0.682 53.332 54.000 0.023 0.000 0.931 411 D CB 1.658 42.468 40.800 0.018 0.000 1.195 411 D HN 0.368 nan 8.370 nan 0.000 0.477 412 L N 1.621 122.846 121.223 0.003 0.000 3.094 412 L HA 0.171 4.511 4.340 -0.000 0.000 0.254 412 L C 1.393 178.253 176.870 -0.016 0.000 1.298 412 L CA -0.309 54.525 54.840 -0.010 0.000 1.050 412 L CB 0.002 42.053 42.059 -0.014 0.000 1.420 412 L HN 0.583 nan 8.230 nan 0.000 0.548 413 S N 0.231 115.924 115.700 -0.011 0.000 2.469 413 S HA -0.084 4.386 4.470 -0.000 0.000 0.238 413 S C 0.878 175.461 174.600 -0.028 0.000 0.998 413 S CA 0.191 58.381 58.200 -0.016 0.000 0.957 413 S CB -0.164 63.031 63.200 -0.007 0.000 0.764 413 S HN 0.680 nan 8.310 nan 0.000 0.514 414 R N -0.846 119.636 120.500 -0.030 0.000 2.710 414 R HA 0.623 4.963 4.340 -0.000 0.000 0.270 414 R C -3.739 172.534 176.300 -0.045 0.000 1.021 414 R CA -2.383 53.690 56.100 -0.046 0.000 0.889 414 R CB 0.014 30.292 30.300 -0.036 0.000 1.243 414 R HN -0.077 nan 8.270 nan 0.000 0.464 415 P HA 0.078 nan 4.420 nan 0.000 0.267 415 P C -0.955 176.321 177.300 -0.040 0.000 1.200 415 P CA -0.246 62.822 63.100 -0.054 0.000 0.772 415 P CB 0.539 32.201 31.700 -0.064 0.000 0.855 416 R N 2.479 122.953 120.500 -0.043 0.000 2.686 416 R HA 0.545 4.885 4.340 -0.000 0.000 0.286 416 R C -0.385 175.888 176.300 -0.045 0.000 0.969 416 R CA -0.819 55.259 56.100 -0.036 0.000 0.898 416 R CB 1.453 31.729 30.300 -0.040 0.000 1.183 416 R HN 0.481 nan 8.270 nan 0.000 0.456 417 I N 4.105 124.666 120.570 -0.015 0.000 2.321 417 I HA 0.309 4.478 4.170 -0.000 0.000 0.291 417 I C 0.073 176.179 176.117 -0.017 0.000 0.998 417 I CA -0.564 60.743 61.300 0.011 0.000 1.227 417 I CB 0.975 39.026 38.000 0.085 0.000 1.368 417 I HN 0.209 nan 8.210 nan 0.000 0.466 418 L N 6.685 127.841 121.223 -0.111 0.000 2.322 418 L HA 0.528 4.868 4.340 -0.000 0.000 0.279 418 L C -0.262 176.536 176.870 -0.119 0.000 1.036 418 L CA -0.454 54.236 54.840 -0.250 0.000 0.807 418 L CB 1.494 43.087 42.059 -0.777 0.000 1.226 418 L HN 0.596 nan 8.230 nan 0.000 0.433 419 Q N 3.292 123.083 119.800 -0.014 0.000 2.331 419 Q HA 0.443 4.783 4.340 -0.000 0.000 0.272 419 Q C -1.372 174.593 176.000 -0.057 0.000 1.062 419 Q CA -0.861 54.799 55.803 -0.239 0.000 0.806 419 Q CB 2.831 31.285 28.738 -0.474 0.000 1.312 419 Q HN 0.585 nan 8.270 nan 0.000 0.431 420 R N 2.724 123.135 120.500 -0.149 0.000 2.409 420 R HA 0.611 4.951 4.340 -0.000 0.000 0.313 420 R C 0.095 176.310 176.300 -0.142 0.000 0.953 420 R CA 0.686 56.739 56.100 -0.079 0.000 0.849 420 R CB 1.022 31.319 30.300 -0.005 0.000 1.171 420 R HN 0.899 nan 8.270 nan 0.000 0.458 421 G N 3.707 112.436 108.800 -0.119 0.000 2.539 421 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.256 421 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.256 421 G C 0.101 174.931 174.900 -0.116 0.000 1.233 421 G CA 0.279 45.322 45.100 -0.095 0.000 0.936 421 G HN 0.656 nan 8.290 nan 0.000 0.571 422 K N 0.842 121.204 120.400 -0.063 0.000 2.284 422 K HA 0.187 4.507 4.320 -0.000 0.000 0.198 422 K C 1.008 177.637 176.600 0.048 0.000 1.048 422 K CA 1.305 57.584 56.287 -0.014 0.000 0.987 422 K CB 0.327 32.841 32.500 0.023 0.000 0.800 422 K HN 0.639 nan 8.250 nan 0.000 0.486 423 D N 0.784 121.205 120.400 0.036 0.000 2.563 423 D HA 0.057 4.696 4.640 -0.000 0.000 0.237 423 D C -0.189 176.216 176.300 0.175 0.000 1.282 423 D CA -0.264 53.852 54.000 0.194 0.000 0.816 423 D CB 0.469 41.357 40.800 0.147 0.000 1.066 423 D HN -0.040 nan 8.370 nan 0.000 0.501 424 R N 0.761 121.209 120.500 -0.087 0.000 2.246 424 R HA 0.485 4.825 4.340 -0.000 0.000 0.332 424 R C -1.199 174.961 176.300 -0.234 0.000 0.974 424 R CA -0.417 55.655 56.100 -0.046 0.000 0.837 424 R CB 0.929 31.198 30.300 -0.052 0.000 1.145 424 R HN -0.105 nan 8.270 nan 0.000 0.467 425 F N 1.279 121.226 119.950 -0.005 0.000 2.551 425 F HA 0.580 5.107 4.527 -0.000 0.000 0.316 425 F C -0.180 175.593 175.800 -0.045 0.000 1.089 425 F CA -1.068 56.920 58.000 -0.021 0.000 0.915 425 F CB 2.111 41.099 39.000 -0.020 0.000 1.186 425 F HN 0.008 nan 8.300 nan 0.000 0.456 426 V N 2.260 122.233 119.914 0.098 0.000 2.777 426 V HA 0.484 4.604 4.120 -0.000 0.000 0.306 426 V C -0.875 175.201 176.094 -0.029 0.000 1.112 426 V CA -0.997 61.306 62.300 0.005 0.000 0.917 426 V CB 2.305 34.086 31.823 -0.070 0.000 1.018 426 V HN 0.719 nan 8.190 nan 0.000 0.426 427 R N 3.109 123.593 120.500 -0.026 0.000 2.295 427 R HA 0.777 5.117 4.340 -0.000 0.000 0.324 427 R C -0.807 175.456 176.300 -0.062 0.000 0.968 427 R CA -0.375 55.701 56.100 -0.041 0.000 0.837 427 R CB 1.628 31.912 30.300 -0.027 0.000 1.133 427 R HN 0.725 nan 8.270 nan 0.000 0.450 428 V N 2.251 122.117 119.914 -0.081 0.000 2.667 428 V HA 0.801 4.921 4.120 -0.000 0.000 0.308 428 V C -0.604 175.453 176.094 -0.063 0.000 1.048 428 V CA -0.867 61.385 62.300 -0.079 0.000 0.928 428 V CB 1.619 33.378 31.823 -0.107 0.000 1.004 428 V HN 1.007 nan 8.190 nan 0.000 0.444 429 R N 3.094 123.563 120.500 -0.053 0.000 2.733 429 R HA 0.690 5.030 4.340 -0.000 0.000 0.272 429 R C -1.563 174.715 176.300 -0.037 0.000 1.029 429 R CA -1.058 55.014 56.100 -0.047 0.000 0.888 429 R CB 1.607 31.875 30.300 -0.053 0.000 1.251 429 R HN 0.682 nan 8.270 nan 0.000 0.464 430 L N 1.330 122.533 121.223 -0.032 0.000 2.475 430 L HA 0.240 4.580 4.340 -0.000 0.000 0.253 430 L C 0.031 176.889 176.870 -0.019 0.000 1.198 430 L CA -0.343 54.484 54.840 -0.022 0.000 0.814 430 L CB 1.130 43.179 42.059 -0.018 0.000 1.134 430 L HN 0.880 nan 8.230 nan 0.000 0.478 431 S N 0.829 116.522 115.700 -0.011 0.000 3.954 431 S HA -0.199 4.271 4.470 -0.000 0.000 0.469 431 S C -0.348 174.248 174.600 -0.006 0.000 1.092 431 S CA 0.276 58.472 58.200 -0.006 0.000 0.837 431 S CB -0.206 62.993 63.200 -0.000 0.000 0.854 431 S HN 0.626 nan 8.310 nan 0.000 0.435 432 D N 0.000 120.397 120.400 -0.004 0.000 6.856 432 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 432 D CA 0.000 53.998 54.000 -0.004 0.000 0.868 432 D CB 0.000 40.796 40.800 -0.007 0.000 0.688 432 D HN 0.000 nan 8.370 nan 0.000 0.683