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 3fzn_1_B DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STV 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.665 177.584 0.135 0.000 1.274 2 A CA 0.000 52.107 52.037 0.116 0.000 0.836 2 A CB 0.000 19.086 19.000 0.144 0.000 0.831 3 S N -0.050 115.745 115.700 0.159 0.000 2.632 3 S HA 0.469 4.939 4.470 -0.000 0.000 0.267 3 S C 1.171 175.923 174.600 0.253 0.000 1.276 3 S CA 0.036 58.351 58.200 0.193 0.000 0.998 3 S CB 1.052 64.378 63.200 0.210 0.000 0.953 3 S HN 1.453 nan 8.310 nan 0.000 0.547 4 V N 1.659 121.732 119.914 0.266 0.000 2.332 4 V HA -0.213 3.907 4.120 -0.000 0.000 0.248 4 V C 2.583 178.981 176.094 0.506 0.000 1.055 4 V CA 2.311 64.795 62.300 0.306 0.000 1.038 4 V CB -1.443 30.491 31.823 0.184 0.000 0.651 4 V HN 1.045 nan 8.190 nan 0.000 0.450 5 H N 0.892 120.267 119.070 0.508 0.000 2.265 5 H HA -0.181 4.375 4.556 -0.000 0.000 0.295 5 H C 2.326 177.868 175.328 0.357 0.000 1.084 5 H CA 2.390 58.738 56.048 0.500 0.000 1.261 5 H CB -0.583 29.390 29.762 0.352 0.000 1.360 5 H HN 0.407 nan 8.280 nan 0.000 0.487 6 G N -0.555 108.527 108.800 0.470 0.000 2.446 6 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.217 6 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.217 6 G C 1.834 176.875 174.900 0.235 0.000 1.168 6 G CA 1.526 46.809 45.100 0.304 0.000 0.771 6 G HN 0.479 nan 8.290 nan 0.000 0.551 7 T N 0.850 115.569 114.554 0.274 0.000 2.788 7 T HA -0.102 4.248 4.350 -0.000 0.000 0.268 7 T C 2.620 177.497 174.700 0.296 0.000 1.044 7 T CA 1.756 64.048 62.100 0.320 0.000 1.139 7 T CB -0.447 68.620 68.868 0.332 0.000 0.867 7 T HN 0.296 nan 8.240 nan 0.000 0.454 8 T N 0.901 115.611 114.554 0.260 0.000 2.737 8 T HA -0.058 4.292 4.350 -0.000 0.000 0.265 8 T C 1.639 176.337 174.700 -0.005 0.000 1.038 8 T CA 1.079 63.288 62.100 0.182 0.000 1.144 8 T CB -0.492 68.561 68.868 0.308 0.000 0.866 8 T HN 0.407 nan 8.240 nan 0.000 0.434 9 Y N 1.310 121.550 120.300 -0.099 0.000 2.274 9 Y HA -0.069 4.481 4.550 -0.000 0.000 0.290 9 Y C 2.598 178.425 175.900 -0.122 0.000 1.145 9 Y CA 1.093 59.028 58.100 -0.274 0.000 1.203 9 Y CB -0.261 37.879 38.460 -0.534 0.000 0.984 9 Y HN 0.186 nan 8.280 nan 0.000 0.533 10 E N 0.400 120.599 120.200 -0.002 0.000 2.072 10 E HA -0.189 4.160 4.350 -0.000 0.000 0.191 10 E C 2.050 178.456 176.600 -0.324 0.000 0.985 10 E CA 0.965 57.218 56.400 -0.244 0.000 0.801 10 E CB -0.543 28.860 29.700 -0.495 0.000 0.750 10 E HN 0.336 nan 8.360 nan 0.000 0.452 11 L N 0.247 121.401 121.223 -0.116 0.000 2.012 11 L HA -0.140 4.200 4.340 -0.000 0.000 0.210 11 L C 2.137 179.044 176.870 0.061 0.000 1.073 11 L CA 1.721 56.633 54.840 0.119 0.000 0.748 11 L CB -0.632 41.607 42.059 0.301 0.000 0.891 11 L HN 0.278 nan 8.230 nan 0.000 0.431 12 L N -0.343 120.912 121.223 0.054 0.000 1.989 12 L HA -0.252 4.088 4.340 -0.000 0.000 0.211 12 L C 2.890 179.813 176.870 0.089 0.000 1.071 12 L CA 2.116 56.999 54.840 0.073 0.000 0.749 12 L CB -0.728 41.359 42.059 0.047 0.000 0.890 12 L HN 0.411 nan 8.230 nan 0.000 0.431 13 R N -0.295 120.282 120.500 0.129 0.000 2.096 13 R HA -0.125 4.215 4.340 -0.000 0.000 0.235 13 R C 2.235 178.510 176.300 -0.042 0.000 1.127 13 R CA 0.933 57.031 56.100 -0.003 0.000 0.968 13 R CB -0.479 29.828 30.300 0.011 0.000 0.861 13 R HN 0.227 nan 8.270 nan 0.000 0.440 14 R N 0.635 121.107 120.500 -0.047 0.000 2.148 14 R HA -0.002 4.338 4.340 -0.000 0.000 0.227 14 R C 1.606 177.910 176.300 0.007 0.000 1.103 14 R CA 0.898 56.980 56.100 -0.029 0.000 0.983 14 R CB -0.097 30.177 30.300 -0.043 0.000 0.874 14 R HN 0.430 nan 8.270 nan 0.000 0.451 15 Q N -0.443 119.366 119.800 0.014 0.000 2.320 15 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 15 Q C 0.659 176.668 176.000 0.014 0.000 0.910 15 Q CA 0.498 56.309 55.803 0.013 0.000 0.946 15 Q CB 0.858 29.594 28.738 -0.003 0.000 1.062 15 Q HN 0.542 nan 8.270 nan 0.000 0.503 16 G N 1.296 110.094 108.800 -0.003 0.000 2.141 16 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.242 16 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.242 16 G C 0.141 175.028 174.900 -0.023 0.000 0.982 16 G CA -0.150 44.942 45.100 -0.014 0.000 0.662 16 G HN 0.345 nan 8.290 nan 0.000 0.527 17 I N 1.360 121.913 120.570 -0.028 0.000 2.342 17 I HA 0.427 4.597 4.170 -0.000 0.000 0.291 17 I C 0.572 176.526 176.117 -0.271 0.000 1.010 17 I CA -0.030 61.260 61.300 -0.017 0.000 1.308 17 I CB 1.375 39.422 38.000 0.078 0.000 1.400 17 I HN 0.250 nan 8.210 nan 0.000 0.488 18 D N 1.686 121.900 120.400 -0.309 0.000 2.538 18 D HA 0.096 4.736 4.640 -0.000 0.000 0.241 18 D C -0.154 175.938 176.300 -0.347 0.000 1.297 18 D CA -0.064 53.498 54.000 -0.730 0.000 0.804 18 D CB 0.565 41.050 40.800 -0.525 0.000 1.122 18 D HN 0.262 nan 8.370 nan 0.000 0.519 19 T N 0.051 114.564 114.554 -0.069 0.000 2.916 19 T HA 0.556 4.906 4.350 -0.000 0.000 0.298 19 T C -0.908 173.807 174.700 0.024 0.000 1.031 19 T CA -0.619 61.417 62.100 -0.106 0.000 0.993 19 T CB 2.529 71.152 68.868 -0.407 0.000 1.045 19 T HN -0.126 nan 8.240 nan 0.000 0.454 20 V N 3.791 123.731 119.914 0.044 0.000 2.378 20 V HA 0.485 4.605 4.120 -0.000 0.000 0.288 20 V C -0.905 174.990 176.094 -0.332 0.000 1.016 20 V CA -0.848 61.577 62.300 0.207 0.000 0.840 20 V CB 0.552 32.720 31.823 0.576 0.000 0.994 20 V HN 0.798 nan 8.190 nan 0.000 0.431 21 F N 3.241 123.162 119.950 -0.049 0.000 2.411 21 F HA 0.774 5.301 4.527 -0.000 0.000 0.350 21 F C 0.947 176.614 175.800 -0.221 0.000 1.114 21 F CA -0.030 57.834 58.000 -0.226 0.000 1.135 21 F CB 1.652 40.566 39.000 -0.143 0.000 1.120 21 F HN 0.608 nan 8.300 nan 0.000 0.495 22 G N 2.367 111.013 108.800 -0.257 0.000 2.660 22 G HA2 0.319 4.279 3.960 -0.000 0.000 0.290 22 G HA3 0.319 4.279 3.960 -0.000 0.000 0.290 22 G C -2.228 172.713 174.900 0.068 0.000 1.432 22 G CA -0.894 44.167 45.100 -0.065 0.000 0.807 22 G HN 0.526 nan 8.290 nan 0.000 0.485 23 N N 0.983 119.788 118.700 0.175 0.000 2.461 23 N HA 0.472 5.212 4.740 -0.000 0.000 0.284 23 N C -2.855 172.762 175.510 0.178 0.000 1.049 23 N CA -1.214 51.939 53.050 0.173 0.000 0.889 23 N CB 3.395 41.942 38.487 0.100 0.000 1.365 23 N HN 0.318 nan 8.380 nan 0.000 0.499 24 P HA 0.501 nan 4.420 nan 0.000 0.278 24 P C -0.369 176.885 177.300 -0.077 0.000 1.258 24 P CA -0.097 63.048 63.100 0.075 0.000 0.811 24 P CB 1.953 33.655 31.700 0.003 0.000 1.063 25 G N -0.959 107.769 108.800 -0.119 0.000 2.600 25 G HA2 0.361 4.321 3.960 -0.000 0.000 0.293 25 G HA3 0.361 4.321 3.960 -0.000 0.000 0.293 25 G C 0.688 175.514 174.900 -0.124 0.000 1.408 25 G CA 0.065 44.917 45.100 -0.413 0.000 0.782 25 G HN 0.400 nan 8.290 nan 0.000 0.482 26 S N -0.115 115.526 115.700 -0.098 0.000 2.368 26 S HA -0.154 4.316 4.470 -0.000 0.000 0.225 26 S C 1.672 176.256 174.600 -0.027 0.000 1.030 26 S CA 1.739 59.914 58.200 -0.041 0.000 0.999 26 S CB -0.291 62.888 63.200 -0.035 0.000 0.844 26 S HN 0.422 nan 8.310 nan 0.000 0.459 27 N N 1.832 120.653 118.700 0.202 0.000 2.520 27 N HA 0.019 4.759 4.740 -0.000 0.000 0.185 27 N C 1.008 176.689 175.510 0.285 0.000 1.068 27 N CA 1.048 54.247 53.050 0.249 0.000 0.911 27 N CB -0.264 38.403 38.487 0.300 0.000 0.961 27 N HN 0.610 nan 8.380 nan 0.000 0.446 28 E N -0.535 119.805 120.200 0.234 0.000 2.489 28 E HA 0.220 4.570 4.350 -0.000 0.000 0.204 28 E C 1.718 178.411 176.600 0.154 0.000 1.006 28 E CA -0.141 56.403 56.400 0.240 0.000 0.936 28 E CB 0.090 29.938 29.700 0.247 0.000 1.002 28 E HN 0.205 nan 8.360 nan 0.000 0.488 29 L N 1.037 122.295 121.223 0.058 0.000 2.042 29 L HA -0.127 4.213 4.340 -0.000 0.000 0.210 29 L C -0.686 176.203 176.870 0.031 0.000 1.076 29 L CA 1.396 56.236 54.840 -0.001 0.000 0.749 29 L CB -1.192 40.831 42.059 -0.060 0.000 0.893 29 L HN 0.139 nan 8.230 nan 0.000 0.432 30 P HA -0.166 nan 4.420 nan 0.000 0.226 30 P C 1.256 178.616 177.300 0.099 0.000 1.153 30 P CA 1.057 64.261 63.100 0.173 0.000 0.777 30 P CB 0.026 31.962 31.700 0.392 0.000 0.794 31 F N 0.053 119.810 119.950 -0.322 0.000 2.219 31 F HA 0.054 4.581 4.527 -0.000 0.000 0.294 31 F C 1.716 177.449 175.800 -0.112 0.000 1.086 31 F CA 1.169 58.759 58.000 -0.684 0.000 1.330 31 F CB -0.622 37.765 39.000 -1.021 0.000 1.047 31 F HN -0.293 nan 8.300 nan 0.000 0.495 32 L N 0.924 122.068 121.223 -0.131 0.000 2.341 32 L HA -0.022 4.318 4.340 -0.000 0.000 0.214 32 L C 1.101 177.933 176.870 -0.063 0.000 1.115 32 L CA 0.153 54.909 54.840 -0.140 0.000 0.820 32 L CB -0.807 41.161 42.059 -0.153 0.000 0.944 32 L HN 0.048 nan 8.230 nan 0.000 0.452 33 K N -0.072 120.310 120.400 -0.030 0.000 2.336 33 K HA -0.053 4.267 4.320 -0.000 0.000 0.262 33 K C -0.243 176.337 176.600 -0.033 0.000 0.992 33 K CA -0.227 56.032 56.287 -0.046 0.000 0.927 33 K CB 0.309 32.771 32.500 -0.064 0.000 0.956 33 K HN -0.035 nan 8.250 nan 0.000 0.495 34 D N 0.053 120.409 120.400 -0.073 0.000 2.751 34 D HA -0.224 4.416 4.640 -0.000 0.000 0.233 34 D C -0.657 175.572 176.300 -0.118 0.000 1.149 34 D CA 0.846 54.784 54.000 -0.102 0.000 0.682 34 D CB -1.410 39.279 40.800 -0.185 0.000 1.068 34 D HN 0.494 nan 8.370 nan 0.000 0.429 35 F N 1.191 120.981 119.950 -0.268 0.000 2.602 35 F HA 0.188 4.715 4.527 -0.000 0.000 0.385 35 F C -1.385 174.199 175.800 -0.360 0.000 1.063 35 F CA -1.349 56.414 58.000 -0.395 0.000 1.233 35 F CB 0.402 39.233 39.000 -0.282 0.000 1.067 35 F HN -0.151 nan 8.300 nan 0.000 0.564 36 P HA 0.049 nan 4.420 nan 0.000 0.269 36 P C 0.210 177.329 177.300 -0.302 0.000 1.209 36 P CA -0.003 62.752 63.100 -0.575 0.000 0.776 36 P CB 0.549 31.849 31.700 -0.666 0.000 0.876 37 E N 1.172 121.287 120.200 -0.141 0.000 2.265 37 E HA -0.169 4.181 4.350 -0.000 0.000 0.196 37 E C 0.827 177.408 176.600 -0.031 0.000 0.996 37 E CA 1.066 57.434 56.400 -0.054 0.000 0.832 37 E CB -0.091 29.583 29.700 -0.044 0.000 0.756 37 E HN 0.614 nan 8.360 nan 0.000 0.491 38 D N -0.237 120.146 120.400 -0.028 0.000 2.339 38 D HA -0.043 4.597 4.640 -0.000 0.000 0.217 38 D C 0.165 176.376 176.300 -0.150 0.000 1.050 38 D CA 0.010 53.969 54.000 -0.068 0.000 0.856 38 D CB -0.087 40.656 40.800 -0.096 0.000 0.922 38 D HN -0.028 nan 8.370 nan 0.000 0.518 39 F N 1.498 121.300 119.950 -0.247 0.000 2.440 39 F HA 0.446 4.973 4.527 -0.000 0.000 0.328 39 F C 0.993 176.804 175.800 0.018 0.000 1.070 39 F CA -1.085 56.787 58.000 -0.213 0.000 1.011 39 F CB 1.386 40.055 39.000 -0.552 0.000 1.226 39 F HN -0.218 nan 8.300 nan 0.000 0.491 40 R N 1.155 121.827 120.500 0.287 0.000 2.670 40 R HA 0.536 4.876 4.340 -0.000 0.000 0.289 40 R C -2.173 174.327 176.300 0.333 0.000 0.965 40 R CA -0.843 55.434 56.100 0.294 0.000 0.899 40 R CB 1.528 31.864 30.300 0.059 0.000 1.173 40 R HN 0.682 nan 8.270 nan 0.000 0.456 41 Y N 3.705 124.060 120.300 0.091 0.000 2.331 41 Y HA 0.420 4.970 4.550 -0.000 0.000 0.338 41 Y C -0.796 174.998 175.900 -0.176 0.000 0.992 41 Y CA -1.192 56.835 58.100 -0.121 0.000 1.121 41 Y CB 1.330 39.552 38.460 -0.397 0.000 1.184 41 Y HN 0.530 nan 8.280 nan 0.000 0.469 42 I N 8.373 128.555 120.570 -0.646 0.000 2.330 42 I HA 0.169 4.339 4.170 -0.000 0.000 0.286 42 I C -0.749 175.110 176.117 -0.431 0.000 1.025 42 I CA -0.783 60.123 61.300 -0.656 0.000 1.197 42 I CB 0.906 38.465 38.000 -0.735 0.000 1.358 42 I HN 0.506 nan 8.210 nan 0.000 0.467 43 L N 6.814 128.059 121.223 0.036 0.000 2.326 43 L HA 0.749 5.089 4.340 -0.000 0.000 0.278 43 L C 0.011 177.073 176.870 0.321 0.000 1.092 43 L CA 0.237 55.230 54.840 0.255 0.000 0.810 43 L CB 1.197 43.588 42.059 0.552 0.000 1.153 43 L HN 0.706 nan 8.230 nan 0.000 0.439 44 A N 4.825 127.770 122.820 0.208 0.000 2.423 44 A HA 0.580 4.900 4.320 -0.000 0.000 0.304 44 A C 0.281 177.913 177.584 0.080 0.000 1.104 44 A CA -0.633 51.518 52.037 0.190 0.000 0.757 44 A CB 1.133 20.199 19.000 0.109 0.000 1.313 44 A HN 0.841 nan 8.150 nan 0.000 0.423 45 L N -0.182 121.033 121.223 -0.014 0.000 2.492 45 L HA 0.156 4.496 4.340 -0.000 0.000 0.223 45 L C 0.863 177.692 176.870 -0.069 0.000 1.132 45 L CA 0.789 55.550 54.840 -0.132 0.000 0.850 45 L CB 0.050 41.937 42.059 -0.288 0.000 0.966 45 L HN 0.708 nan 8.230 nan 0.000 0.454 46 Q N -0.603 119.182 119.800 -0.025 0.000 2.435 46 Q HA 0.128 4.468 4.340 -0.000 0.000 0.282 46 Q C -0.468 175.545 176.000 0.022 0.000 1.020 46 Q CA -0.249 55.554 55.803 0.000 0.000 0.820 46 Q CB 2.293 31.030 28.738 -0.002 0.000 1.436 46 Q HN -0.011 nan 8.270 nan 0.000 0.395 47 E N 0.918 121.140 120.200 0.036 0.000 2.208 47 E HA -0.017 4.333 4.350 -0.000 0.000 0.193 47 E C 1.497 178.119 176.600 0.036 0.000 0.988 47 E CA 1.265 57.692 56.400 0.045 0.000 0.828 47 E CB 0.084 29.819 29.700 0.058 0.000 0.763 47 E HN 0.653 nan 8.360 nan 0.000 0.478 48 A N 0.402 123.243 122.820 0.036 0.000 1.908 48 A HA -0.252 4.068 4.320 -0.000 0.000 0.218 48 A C 2.279 179.877 177.584 0.024 0.000 1.181 48 A CA 1.554 53.613 52.037 0.037 0.000 0.627 48 A CB -1.006 18.025 19.000 0.052 0.000 0.818 48 A HN 0.433 nan 8.150 nan 0.000 0.445 49 C N -1.376 117.935 119.300 0.018 0.000 2.453 49 C HA -0.032 4.428 4.460 -0.000 0.000 0.277 49 C C 2.667 177.653 174.990 -0.007 0.000 1.262 49 C CA 0.745 59.765 59.018 0.003 0.000 1.718 49 C CB -1.414 26.327 27.740 0.002 0.000 2.031 49 C HN 0.455 nan 8.230 nan 0.000 0.480 50 V N 1.219 121.141 119.914 0.013 0.000 2.231 50 V HA -0.250 3.870 4.120 -0.000 0.000 0.248 50 V C 2.465 178.534 176.094 -0.043 0.000 1.054 50 V CA 2.473 64.783 62.300 0.017 0.000 1.015 50 V CB -0.870 30.982 31.823 0.048 0.000 0.638 50 V HN 0.476 nan 8.190 nan 0.000 0.444 51 V N 0.699 120.599 119.914 -0.023 0.000 2.358 51 V HA -0.147 3.973 4.120 -0.000 0.000 0.246 51 V C 2.626 178.679 176.094 -0.068 0.000 1.047 51 V CA 2.065 64.342 62.300 -0.039 0.000 1.035 51 V CB -1.418 30.411 31.823 0.010 0.000 0.658 51 V HN 0.628 nan 8.190 nan 0.000 0.452 52 G N -0.046 108.725 108.800 -0.048 0.000 2.422 52 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.218 52 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.218 52 G C 1.580 176.362 174.900 -0.197 0.000 1.146 52 G CA 1.000 46.051 45.100 -0.081 0.000 0.769 52 G HN 0.484 nan 8.290 nan 0.000 0.547 53 I N 1.370 121.816 120.570 -0.207 0.000 2.179 53 I HA -0.200 3.970 4.170 -0.000 0.000 0.242 53 I C 3.307 179.107 176.117 -0.528 0.000 1.088 53 I CA 1.083 62.217 61.300 -0.277 0.000 1.357 53 I CB -0.254 37.646 38.000 -0.166 0.000 1.051 53 I HN 0.244 nan 8.210 nan 0.000 0.409 54 A N 0.169 122.528 122.820 -0.767 0.000 1.933 54 A HA -0.289 4.031 4.320 -0.000 0.000 0.218 54 A C 2.047 179.415 177.584 -0.360 0.000 1.175 54 A CA 2.216 53.648 52.037 -1.009 0.000 0.628 54 A CB -0.623 17.960 19.000 -0.694 0.000 0.814 54 A HN 0.447 nan 8.150 nan 0.000 0.444 55 D N -0.387 119.896 120.400 -0.194 0.000 2.084 55 D HA -0.067 4.573 4.640 -0.000 0.000 0.194 55 D C 2.106 178.378 176.300 -0.047 0.000 0.990 55 D CA 1.708 55.691 54.000 -0.028 0.000 0.826 55 D CB -0.675 40.187 40.800 0.103 0.000 0.971 55 D HN 0.286 nan 8.370 nan 0.000 0.453 56 G N -0.965 107.743 108.800 -0.154 0.000 2.442 56 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.219 56 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.219 56 G C 1.695 176.487 174.900 -0.181 0.000 1.141 56 G CA 1.000 45.945 45.100 -0.258 0.000 0.763 56 G HN 0.381 nan 8.290 nan 0.000 0.554 57 Y N 1.896 122.054 120.300 -0.236 0.000 2.145 57 Y HA -0.010 4.540 4.550 -0.000 0.000 0.286 57 Y C 2.963 178.821 175.900 -0.071 0.000 1.145 57 Y CA 1.598 59.617 58.100 -0.135 0.000 1.148 57 Y CB -0.379 38.011 38.460 -0.116 0.000 0.981 57 Y HN 0.248 nan 8.280 nan 0.000 0.507 58 A N 0.092 122.929 122.820 0.029 0.000 1.902 58 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 58 A C 2.122 179.688 177.584 -0.029 0.000 1.181 58 A CA 1.967 54.009 52.037 0.008 0.000 0.623 58 A CB -0.753 18.287 19.000 0.066 0.000 0.818 58 A HN 0.667 nan 8.150 nan 0.000 0.443 59 Q N -0.839 118.944 119.800 -0.029 0.000 2.050 59 Q HA -0.112 4.228 4.340 -0.000 0.000 0.202 59 Q C 2.463 178.484 176.000 0.034 0.000 0.980 59 Q CA 1.427 57.248 55.803 0.031 0.000 0.840 59 Q CB -0.343 28.423 28.738 0.046 0.000 0.898 59 Q HN 0.686 nan 8.270 nan 0.000 0.424 60 A N 1.083 123.845 122.820 -0.096 0.000 1.897 60 A HA -0.143 4.177 4.320 -0.000 0.000 0.215 60 A C 2.225 179.767 177.584 -0.069 0.000 1.181 60 A CA 1.639 53.655 52.037 -0.035 0.000 0.620 60 A CB -0.462 18.465 19.000 -0.122 0.000 0.821 60 A HN 0.435 nan 8.150 nan 0.000 0.443 61 S N -1.327 114.262 115.700 -0.186 0.000 2.489 61 S HA -0.004 4.466 4.470 -0.000 0.000 0.228 61 S C 0.896 175.441 174.600 -0.093 0.000 0.995 61 S CA 0.582 58.660 58.200 -0.204 0.000 0.934 61 S CB -0.347 62.602 63.200 -0.417 0.000 0.771 61 S HN 0.522 nan 8.310 nan 0.000 0.522 62 R N 0.661 121.135 120.500 -0.043 0.000 3.422 62 R HA -0.116 4.224 4.340 -0.000 0.000 0.267 62 R C -0.941 175.361 176.300 0.004 0.000 1.074 62 R CA 0.900 57.002 56.100 0.003 0.000 0.718 62 R CB -1.944 28.365 30.300 0.016 0.000 1.157 62 R HN 0.572 nan 8.270 nan 0.000 0.440 63 K N -0.856 119.544 120.400 -0.000 0.000 2.556 63 K HA 0.407 4.727 4.320 -0.000 0.000 0.274 63 K C -2.797 173.844 176.600 0.069 0.000 0.966 63 K CA -2.162 54.143 56.287 0.030 0.000 0.865 63 K CB 2.327 34.839 32.500 0.020 0.000 1.444 63 K HN -0.261 nan 8.250 nan 0.000 0.433 64 P HA 0.063 nan 4.420 nan 0.000 0.269 64 P C -1.365 176.070 177.300 0.225 0.000 1.215 64 P CA -0.198 62.987 63.100 0.141 0.000 0.780 64 P CB 0.603 32.382 31.700 0.132 0.000 0.898 65 A N 2.177 125.147 122.820 0.249 0.000 2.365 65 A HA 0.675 4.995 4.320 -0.000 0.000 0.318 65 A C -1.470 176.331 177.584 0.362 0.000 1.091 65 A CA -0.524 51.731 52.037 0.364 0.000 0.763 65 A CB 0.677 19.843 19.000 0.277 0.000 1.248 65 A HN 0.464 nan 8.150 nan 0.000 0.442 66 F N 2.014 122.155 119.950 0.319 0.000 2.436 66 F HA 0.758 5.285 4.527 -0.000 0.000 0.340 66 F C -0.688 175.294 175.800 0.303 0.000 1.113 66 F CA -0.733 57.425 58.000 0.263 0.000 1.022 66 F CB 1.026 40.173 39.000 0.246 0.000 1.128 66 F HN 0.423 nan 8.300 nan 0.000 0.466 67 I N 4.759 125.151 120.570 -0.298 0.000 2.608 67 I HA 0.330 4.500 4.170 -0.000 0.000 0.295 67 I C -1.198 174.766 176.117 -0.255 0.000 1.049 67 I CA -0.828 60.416 61.300 -0.093 0.000 1.063 67 I CB 2.240 40.216 38.000 -0.040 0.000 1.248 67 I HN 0.549 nan 8.210 nan 0.000 0.424 68 N N 6.202 124.912 118.700 0.018 0.000 2.461 68 N HA 0.647 5.387 4.740 -0.000 0.000 0.284 68 N C -1.650 173.937 175.510 0.128 0.000 1.049 68 N CA -0.347 52.749 53.050 0.076 0.000 0.889 68 N CB 1.134 39.815 38.487 0.322 0.000 1.365 68 N HN 0.459 nan 8.380 nan 0.000 0.499 69 L N 1.066 122.348 121.223 0.098 0.000 2.286 69 L HA 0.453 4.793 4.340 -0.000 0.000 0.265 69 L C 0.017 176.999 176.870 0.186 0.000 1.012 69 L CA -1.097 53.828 54.840 0.141 0.000 0.818 69 L CB 1.766 43.900 42.059 0.125 0.000 1.337 69 L HN 0.514 nan 8.230 nan 0.000 0.438 70 H N 0.883 120.006 119.070 0.090 0.000 2.724 70 H HA 0.174 4.730 4.556 -0.000 0.000 0.278 70 H C 0.327 175.706 175.328 0.085 0.000 1.159 70 H CA 0.391 56.491 56.048 0.086 0.000 1.254 70 H CB 1.054 30.860 29.762 0.074 0.000 1.412 70 H HN 0.784 nan 8.280 nan 0.000 0.488 71 S N 2.778 118.375 115.700 -0.171 0.000 2.991 71 S HA -0.375 4.095 4.470 -0.000 0.000 0.630 71 S C 1.636 176.214 174.600 -0.036 0.000 3.057 71 S CA 1.186 59.286 58.200 -0.166 0.000 3.520 71 S CB -1.132 61.847 63.200 -0.367 0.000 0.309 71 S HN 0.900 nan 8.310 nan 0.000 1.629 72 A N 0.305 123.101 122.820 -0.040 0.000 1.929 72 A HA 0.362 4.682 4.320 -0.000 0.000 0.216 72 A C 2.603 180.190 177.584 0.004 0.000 1.176 72 A CA 2.267 54.301 52.037 -0.004 0.000 0.628 72 A CB -1.430 17.561 19.000 -0.016 0.000 0.816 72 A HN 1.685 nan 8.150 nan 0.000 0.444 73 A N -0.264 122.560 122.820 0.007 0.000 1.877 73 A HA 0.100 4.420 4.320 -0.000 0.000 0.216 73 A C 2.403 180.024 177.584 0.063 0.000 1.186 73 A CA 1.994 54.056 52.037 0.042 0.000 0.620 73 A CB -1.386 17.660 19.000 0.076 0.000 0.822 73 A HN 0.687 nan 8.150 nan 0.000 0.443 74 G N -1.329 107.526 108.800 0.092 0.000 2.402 74 G HA2 -0.113 3.847 3.960 -0.000 0.000 0.216 74 G HA3 -0.113 3.847 3.960 -0.000 0.000 0.216 74 G C 1.582 176.532 174.900 0.083 0.000 1.162 74 G CA 1.623 46.788 45.100 0.109 0.000 0.777 74 G HN 0.427 nan 8.290 nan 0.000 0.539 75 T N 1.058 115.662 114.554 0.082 0.000 2.708 75 T HA -0.061 4.289 4.350 -0.000 0.000 0.266 75 T C 2.504 177.205 174.700 0.001 0.000 1.037 75 T CA 1.543 63.681 62.100 0.065 0.000 1.146 75 T CB -0.670 68.248 68.868 0.083 0.000 0.865 75 T HN 0.350 nan 8.240 nan 0.000 0.435 76 G N 2.097 110.893 108.800 -0.007 0.000 2.440 76 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.218 76 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.218 76 G C 1.616 176.514 174.900 -0.003 0.000 1.154 76 G CA 0.730 45.818 45.100 -0.020 0.000 0.767 76 G HN 0.388 nan 8.290 nan 0.000 0.552 77 N N 1.080 119.791 118.700 0.019 0.000 2.348 77 N HA -0.045 4.695 4.740 -0.000 0.000 0.185 77 N C 2.009 177.535 175.510 0.026 0.000 1.019 77 N CA 1.079 54.145 53.050 0.027 0.000 0.880 77 N CB -0.206 38.304 38.487 0.039 0.000 0.965 77 N HN 0.359 nan 8.380 nan 0.000 0.437 78 A N -0.488 122.345 122.820 0.022 0.000 2.308 78 A HA 0.178 4.498 4.320 -0.000 0.000 0.217 78 A C 1.859 179.445 177.584 0.004 0.000 1.216 78 A CA -0.030 52.020 52.037 0.021 0.000 0.864 78 A CB 0.002 19.022 19.000 0.033 0.000 0.902 78 A HN 0.031 nan 8.150 nan 0.000 0.499 79 M N -0.408 119.182 119.600 -0.016 0.000 2.296 79 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 79 M C 2.146 178.427 176.300 -0.031 0.000 1.064 79 M CA 1.364 56.639 55.300 -0.041 0.000 1.109 79 M CB -1.323 31.239 32.600 -0.065 0.000 1.396 79 M HN 0.495 nan 8.290 nan 0.000 0.430 80 G N 0.001 108.792 108.800 -0.016 0.000 2.402 80 G HA2 -0.074 3.886 3.960 -0.000 0.000 0.216 80 G HA3 -0.074 3.886 3.960 -0.000 0.000 0.216 80 G C 1.658 176.553 174.900 -0.009 0.000 1.162 80 G CA 1.041 46.130 45.100 -0.019 0.000 0.777 80 G HN 0.519 nan 8.290 nan 0.000 0.539 81 A N 0.708 123.538 122.820 0.016 0.000 1.908 81 A HA 0.039 4.359 4.320 -0.000 0.000 0.218 81 A C 2.417 180.025 177.584 0.042 0.000 1.181 81 A CA 1.321 53.383 52.037 0.042 0.000 0.627 81 A CB -0.424 18.607 19.000 0.051 0.000 0.818 81 A HN 0.363 nan 8.150 nan 0.000 0.445 82 L N 0.459 121.699 121.223 0.028 0.000 2.131 82 L HA -0.193 4.147 4.340 -0.000 0.000 0.210 82 L C 3.036 179.940 176.870 0.058 0.000 1.092 82 L CA 1.460 56.326 54.840 0.044 0.000 0.759 82 L CB -0.558 41.511 42.059 0.016 0.000 0.903 82 L HN 0.659 nan 8.230 nan 0.000 0.435 83 S N -0.066 115.642 115.700 0.012 0.000 2.359 83 S HA -0.202 4.268 4.470 -0.000 0.000 0.224 83 S C 1.820 176.444 174.600 0.039 0.000 1.035 83 S CA 1.412 59.619 58.200 0.011 0.000 1.018 83 S CB -0.473 62.703 63.200 -0.040 0.000 0.876 83 S HN 0.427 nan 8.310 nan 0.000 0.448 84 N N 2.627 121.316 118.700 -0.018 0.000 2.120 84 N HA 0.033 4.773 4.740 -0.000 0.000 0.188 84 N C 2.070 177.553 175.510 -0.045 0.000 1.024 84 N CA 1.537 54.532 53.050 -0.093 0.000 0.852 84 N CB -0.998 37.371 38.487 -0.196 0.000 1.003 84 N HN 0.640 nan 8.380 nan 0.000 0.424 85 A N 1.337 124.178 122.820 0.034 0.000 1.933 85 A HA -0.166 4.154 4.320 -0.000 0.000 0.218 85 A C 2.066 179.708 177.584 0.097 0.000 1.175 85 A CA 1.016 53.093 52.037 0.066 0.000 0.628 85 A CB -1.048 18.012 19.000 0.101 0.000 0.814 85 A HN 0.586 nan 8.150 nan 0.000 0.444 86 W N 1.151 122.432 121.300 -0.032 0.000 2.335 86 W HA -0.221 4.439 4.660 -0.000 0.000 0.311 86 W C 1.477 177.940 176.519 -0.094 0.000 1.213 86 W CA 2.136 59.466 57.345 -0.025 0.000 1.274 86 W CB -0.468 28.978 29.460 -0.024 0.000 1.148 86 W HN 0.406 nan 8.180 nan 0.000 0.498 87 N N 0.351 119.049 118.700 -0.003 0.000 2.309 87 N HA -0.151 4.589 4.740 -0.000 0.000 0.182 87 N C 1.804 177.115 175.510 -0.332 0.000 1.018 87 N CA 2.093 55.034 53.050 -0.182 0.000 0.876 87 N CB -0.598 37.857 38.487 -0.053 0.000 0.972 87 N HN 0.130 nan 8.380 nan 0.000 0.434 88 S N -1.174 114.394 115.700 -0.220 0.000 2.593 88 S HA 0.045 4.515 4.470 -0.000 0.000 0.217 88 S C -0.132 174.411 174.600 -0.096 0.000 0.966 88 S CA -0.227 57.881 58.200 -0.152 0.000 0.914 88 S CB -0.691 62.474 63.200 -0.059 0.000 0.776 88 S HN 0.423 nan 8.310 nan 0.000 0.523 89 H N 0.943 119.938 119.070 -0.124 0.000 2.692 89 H HA -0.129 4.427 4.556 -0.000 0.000 0.316 89 H C -0.664 174.635 175.328 -0.049 0.000 1.176 89 H CA 0.363 56.327 56.048 -0.140 0.000 1.142 89 H CB -2.167 27.519 29.762 -0.127 0.000 1.475 89 H HN 0.372 nan 8.280 nan 0.000 0.423 90 S N 2.296 118.040 115.700 0.073 0.000 2.499 90 S HA 0.163 4.633 4.470 -0.000 0.000 0.275 90 S C -1.885 172.766 174.600 0.085 0.000 1.257 90 S CA -1.145 57.104 58.200 0.082 0.000 1.050 90 S CB 1.139 64.386 63.200 0.078 0.000 0.937 90 S HN 0.193 nan 8.310 nan 0.000 0.490 91 P HA 0.209 nan 4.420 nan 0.000 0.260 91 P C -1.059 176.303 177.300 0.104 0.000 1.651 91 P CA 0.012 63.165 63.100 0.087 0.000 1.139 91 P CB -0.236 31.509 31.700 0.076 0.000 1.756 92 L N 4.326 125.614 121.223 0.108 0.000 2.313 92 L HA 0.505 4.845 4.340 -0.000 0.000 0.283 92 L C 0.560 177.493 176.870 0.105 0.000 1.013 92 L CA -1.006 53.896 54.840 0.103 0.000 0.816 92 L CB 1.897 44.007 42.059 0.085 0.000 1.236 92 L HN 0.132 nan 8.230 nan 0.000 0.419 93 I N 4.091 124.712 120.570 0.084 0.000 2.307 93 I HA 0.221 4.391 4.170 -0.000 0.000 0.287 93 I C -0.320 175.715 176.117 -0.137 0.000 1.054 93 I CA -0.465 60.859 61.300 0.040 0.000 1.218 93 I CB 1.383 39.458 38.000 0.125 0.000 1.398 93 I HN 0.220 nan 8.210 nan 0.000 0.475 94 V N 5.242 125.126 119.914 -0.050 0.000 2.333 94 V HA 0.346 4.466 4.120 -0.000 0.000 0.274 94 V C 0.529 176.510 176.094 -0.188 0.000 1.028 94 V CA -0.473 61.782 62.300 -0.074 0.000 0.851 94 V CB 1.194 33.100 31.823 0.139 0.000 1.000 94 V HN 0.799 nan 8.190 nan 0.000 0.456 95 T N 2.206 116.561 114.554 -0.332 0.000 2.859 95 T HA 0.870 5.220 4.350 -0.000 0.000 0.281 95 T C -0.357 174.200 174.700 -0.238 0.000 1.005 95 T CA -0.530 61.366 62.100 -0.340 0.000 1.025 95 T CB 1.990 70.651 68.868 -0.346 0.000 0.977 95 T HN 1.003 nan 8.240 nan 0.000 0.458 96 A N 1.772 124.428 122.820 -0.273 0.000 2.398 96 A HA 0.843 5.162 4.320 -0.000 0.000 0.301 96 A C 0.275 177.833 177.584 -0.043 0.000 1.041 96 A CA -0.703 51.273 52.037 -0.101 0.000 0.711 96 A CB 1.309 20.292 19.000 -0.027 0.000 1.240 96 A HN 1.321 nan 8.150 nan 0.000 0.420 97 G N 0.389 109.227 108.800 0.063 0.000 2.415 97 G HA2 0.492 4.452 3.960 -0.000 0.000 0.269 97 G HA3 0.492 4.452 3.960 -0.000 0.000 0.269 97 G C -0.264 174.683 174.900 0.078 0.000 1.209 97 G CA -0.084 45.100 45.100 0.140 0.000 0.835 97 G HN 0.856 nan 8.290 nan 0.000 0.534 98 Q N 0.199 120.058 119.800 0.098 0.000 2.359 98 Q HA 0.350 4.690 4.340 -0.000 0.000 0.275 98 Q C 0.184 176.248 176.000 0.108 0.000 1.082 98 Q CA -0.709 55.121 55.803 0.045 0.000 0.849 98 Q CB 1.215 29.940 28.738 -0.021 0.000 1.377 98 Q HN 0.486 nan 8.270 nan 0.000 0.452 99 Q N 0.396 120.230 119.800 0.057 0.000 2.540 99 Q HA 0.058 4.398 4.340 -0.000 0.000 0.256 99 Q C -0.441 175.434 176.000 -0.209 0.000 1.084 99 Q CA 0.368 56.198 55.803 0.046 0.000 0.956 99 Q CB 0.542 29.296 28.738 0.026 0.000 1.303 99 Q HN 0.838 nan 8.270 nan 0.000 0.509 100 T N 0.683 114.924 114.554 -0.522 0.000 2.946 100 T HA -0.008 4.342 4.350 -0.000 0.000 0.311 100 T C 1.387 175.919 174.700 -0.281 0.000 1.063 100 T CA 0.120 61.834 62.100 -0.644 0.000 1.139 100 T CB 0.366 68.819 68.868 -0.693 0.000 0.994 100 T HN 0.474 nan 8.240 nan 0.000 0.547 101 R N 3.030 123.394 120.500 -0.226 0.000 2.117 101 R HA -0.131 4.209 4.340 -0.000 0.000 0.243 101 R C 2.514 178.752 176.300 -0.103 0.000 1.143 101 R CA 1.498 57.513 56.100 -0.141 0.000 0.968 101 R CB -0.524 29.704 30.300 -0.120 0.000 0.863 101 R HN 0.732 nan 8.270 nan 0.000 0.444 102 A N 0.310 123.070 122.820 -0.100 0.000 2.172 102 A HA -0.053 4.267 4.320 -0.000 0.000 0.216 102 A C 1.786 179.341 177.584 -0.048 0.000 1.154 102 A CA 1.038 53.037 52.037 -0.062 0.000 0.701 102 A CB -0.122 18.848 19.000 -0.050 0.000 0.789 102 A HN 0.212 nan 8.150 nan 0.000 0.465 103 M N -1.449 118.117 119.600 -0.057 0.000 2.313 103 M HA 0.291 4.771 4.480 -0.000 0.000 0.273 103 M C 1.254 177.535 176.300 -0.031 0.000 1.049 103 M CA 0.116 55.398 55.300 -0.031 0.000 1.004 103 M CB 0.122 32.715 32.600 -0.011 0.000 1.461 103 M HN 0.284 nan 8.290 nan 0.000 0.514 104 I N 0.678 121.218 120.570 -0.049 0.000 2.226 104 I HA -0.185 3.985 4.170 -0.000 0.000 0.245 104 I C 2.511 178.607 176.117 -0.034 0.000 1.100 104 I CA 1.633 62.907 61.300 -0.044 0.000 1.374 104 I CB -0.590 37.374 38.000 -0.061 0.000 1.057 104 I HN 0.384 nan 8.210 nan 0.000 0.413 105 G N -0.142 108.637 108.800 -0.034 0.000 2.422 105 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.218 105 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.218 105 G C 1.676 176.564 174.900 -0.019 0.000 1.146 105 G CA 0.761 45.845 45.100 -0.027 0.000 0.769 105 G HN 0.310 nan 8.290 nan 0.000 0.547 106 V N 0.212 120.117 119.914 -0.015 0.000 3.461 106 V HA 0.135 4.255 4.120 -0.000 0.000 0.267 106 V C 0.745 176.836 176.094 -0.006 0.000 1.186 106 V CA 1.080 63.374 62.300 -0.009 0.000 1.154 106 V CB -0.723 31.098 31.823 -0.005 0.000 0.802 106 V HN 0.635 nan 8.190 nan 0.000 0.474 107 E N -0.173 120.022 120.200 -0.009 0.000 2.287 107 E HA -0.203 4.147 4.350 -0.000 0.000 0.229 107 E C 0.447 177.049 176.600 0.004 0.000 1.194 107 E CA 0.167 56.564 56.400 -0.006 0.000 0.704 107 E CB -1.627 28.068 29.700 -0.008 0.000 1.216 107 E HN 0.773 nan 8.360 nan 0.000 0.381 108 A N 0.581 123.407 122.820 0.009 0.000 2.475 108 A HA 0.249 4.569 4.320 -0.000 0.000 0.239 108 A C 0.532 178.132 177.584 0.027 0.000 1.087 108 A CA -0.121 51.930 52.037 0.023 0.000 0.779 108 A CB 0.335 19.357 19.000 0.035 0.000 1.036 108 A HN 0.355 nan 8.150 nan 0.000 0.506 109 L N 0.559 121.803 121.223 0.036 0.000 2.543 109 L HA 0.090 4.430 4.340 -0.000 0.000 0.285 109 L C 0.837 177.739 176.870 0.052 0.000 1.236 109 L CA 1.399 56.263 54.840 0.041 0.000 0.871 109 L CB -0.280 41.807 42.059 0.048 0.000 1.121 109 L HN 0.719 nan 8.230 nan 0.000 0.501 110 L N 1.584 122.829 121.223 0.037 0.000 4.759 110 L HA -0.233 4.107 4.340 -0.000 0.000 0.419 110 L C 0.295 177.159 176.870 -0.010 0.000 1.093 110 L CA 0.401 55.245 54.840 0.008 0.000 1.037 110 L CB -2.665 39.425 42.059 0.051 0.000 2.095 110 L HN 0.739 nan 8.230 nan 0.000 0.739 111 T N 0.928 115.484 114.554 0.002 0.000 2.799 111 T HA 0.122 4.472 4.350 -0.000 0.000 0.296 111 T C 0.712 175.399 174.700 -0.021 0.000 0.947 111 T CA 0.005 62.100 62.100 -0.009 0.000 1.141 111 T CB 0.773 69.636 68.868 -0.008 0.000 0.891 111 T HN 0.160 nan 8.240 nan 0.000 0.533 112 N N 4.201 122.885 118.700 -0.026 0.000 2.508 112 N HA 0.091 4.831 4.740 -0.000 0.000 0.253 112 N C -0.442 175.055 175.510 -0.021 0.000 1.145 112 N CA -0.237 52.801 53.050 -0.019 0.000 0.973 112 N CB 0.109 38.595 38.487 -0.001 0.000 1.305 112 N HN 0.287 nan 8.380 nan 0.000 0.506 113 V N 3.317 123.217 119.914 -0.023 0.000 2.585 113 V HA -0.002 4.118 4.120 -0.000 0.000 0.296 113 V C 0.836 176.910 176.094 -0.033 0.000 1.035 113 V CA -0.156 62.127 62.300 -0.029 0.000 1.084 113 V CB 0.527 32.335 31.823 -0.026 0.000 0.953 113 V HN 0.740 nan 8.190 nan 0.000 0.483 114 D N 3.415 123.791 120.400 -0.040 0.000 2.689 114 D HA -0.244 4.396 4.640 -0.000 0.000 0.237 114 D C 1.290 177.564 176.300 -0.043 0.000 1.148 114 D CA 0.938 54.910 54.000 -0.047 0.000 0.656 114 D CB -0.609 40.163 40.800 -0.046 0.000 1.050 114 D HN 0.820 nan 8.370 nan 0.000 0.426 115 A N 0.327 123.130 122.820 -0.029 0.000 1.948 115 A HA 0.019 4.339 4.320 -0.000 0.000 0.220 115 A C 2.475 180.091 177.584 0.054 0.000 1.177 115 A CA 2.428 54.481 52.037 0.026 0.000 0.636 115 A CB -0.638 18.386 19.000 0.040 0.000 0.815 115 A HN 0.780 nan 8.150 nan 0.000 0.449 116 A N -0.474 122.341 122.820 -0.008 0.000 2.067 116 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 116 A C 1.739 179.280 177.584 -0.071 0.000 1.158 116 A CA 1.571 53.598 52.037 -0.017 0.000 0.661 116 A CB -0.453 18.489 19.000 -0.096 0.000 0.801 116 A HN 0.526 nan 8.150 nan 0.000 0.452 117 N N -0.555 118.095 118.700 -0.082 0.000 2.446 117 N HA -0.012 4.728 4.740 -0.000 0.000 0.179 117 N C 1.393 176.819 175.510 -0.139 0.000 1.054 117 N CA 0.515 53.505 53.050 -0.101 0.000 0.905 117 N CB -0.282 38.158 38.487 -0.078 0.000 0.973 117 N HN 0.413 nan 8.380 nan 0.000 0.448 118 L N 2.385 123.510 121.223 -0.162 0.000 1.990 118 L HA -0.050 4.290 4.340 -0.000 0.000 0.213 118 L C -1.008 175.699 176.870 -0.273 0.000 1.072 118 L CA 2.080 56.799 54.840 -0.201 0.000 0.755 118 L CB -1.309 40.635 42.059 -0.192 0.000 0.889 118 L HN 0.125 nan 8.230 nan 0.000 0.432 119 P HA -0.053 nan 4.420 nan 0.000 0.245 119 P C -0.103 177.043 177.300 -0.256 0.000 1.206 119 P CA 0.295 63.167 63.100 -0.380 0.000 0.781 119 P CB -0.053 31.290 31.700 -0.594 0.000 0.994 120 R N 2.030 122.398 120.500 -0.220 0.000 2.590 120 R HA 0.146 4.486 4.340 -0.000 0.000 0.274 120 R C -1.371 174.810 176.300 -0.199 0.000 1.061 120 R CA -0.917 55.067 56.100 -0.194 0.000 1.081 120 R CB -0.253 29.958 30.300 -0.148 0.000 0.984 120 R HN 0.119 nan 8.270 nan 0.000 0.448 121 P HA 0.106 nan 4.420 nan 0.000 0.249 121 P C 0.141 177.098 177.300 -0.572 0.000 1.583 121 P CA 0.299 63.197 63.100 -0.337 0.000 0.988 121 P CB 0.288 31.799 31.700 -0.314 0.000 1.530 122 L N -0.126 120.837 121.223 -0.434 0.000 2.611 122 L HA 0.170 4.510 4.340 -0.000 0.000 0.229 122 L C 0.816 177.593 176.870 -0.156 0.000 1.137 122 L CA -0.204 54.373 54.840 -0.439 0.000 0.901 122 L CB 0.189 42.116 42.059 -0.219 0.000 1.098 122 L HN -0.092 nan 8.230 nan 0.000 0.456 123 V N -5.206 114.643 119.914 -0.108 0.000 2.962 123 V HA 0.370 4.490 4.120 -0.000 0.000 0.313 123 V C 0.632 176.932 176.094 0.344 0.000 1.099 123 V CA -1.041 61.383 62.300 0.207 0.000 0.971 123 V CB 2.128 34.029 31.823 0.129 0.000 1.028 123 V HN 0.031 nan 8.190 nan 0.000 0.430 124 K N 0.909 121.615 120.400 0.510 0.000 2.217 124 K HA 0.095 4.415 4.320 -0.000 0.000 0.202 124 K C -0.250 176.602 176.600 0.419 0.000 1.051 124 K CA 1.624 58.191 56.287 0.467 0.000 0.952 124 K CB 0.153 32.857 32.500 0.341 0.000 0.736 124 K HN 0.747 nan 8.250 nan 0.000 0.453 125 W N -0.263 121.130 121.300 0.155 0.000 3.573 125 W HA 0.311 4.971 4.660 -0.000 0.000 0.306 125 W C -1.734 174.875 176.519 0.151 0.000 1.227 125 W CA -0.654 56.764 57.345 0.121 0.000 1.212 125 W CB 1.804 31.314 29.460 0.084 0.000 1.331 125 W HN -0.335 nan 8.180 nan 0.000 0.524 126 S N 4.792 120.202 115.700 -0.484 0.000 2.572 126 S HA 0.754 5.224 4.470 -0.000 0.000 0.274 126 S C -2.285 171.979 174.600 -0.560 0.000 1.150 126 S CA -0.334 57.656 58.200 -0.351 0.000 0.944 126 S CB 0.858 64.003 63.200 -0.092 0.000 1.071 126 S HN 0.525 nan 8.310 nan 0.000 0.479 127 Y N 1.992 121.904 120.300 -0.648 0.000 2.558 127 Y HA 0.512 5.062 4.550 -0.000 0.000 0.333 127 Y C -1.335 174.382 175.900 -0.306 0.000 1.125 127 Y CA -0.638 57.109 58.100 -0.588 0.000 1.039 127 Y CB 1.650 39.500 38.460 -1.016 0.000 1.331 127 Y HN 0.723 nan 8.280 nan 0.000 0.456 128 E N 6.298 126.070 120.200 -0.713 0.000 2.218 128 E HA 0.506 4.856 4.350 -0.000 0.000 0.263 128 E C -2.837 173.338 176.600 -0.708 0.000 0.879 128 E CA -2.468 53.625 56.400 -0.511 0.000 0.762 128 E CB 1.756 31.263 29.700 -0.323 0.000 1.166 128 E HN 0.306 nan 8.360 nan 0.000 0.415 129 P HA 0.087 nan 4.420 nan 0.000 0.271 129 P C -0.292 176.916 177.300 -0.154 0.000 1.218 129 P CA 0.019 63.028 63.100 -0.151 0.000 0.780 129 P CB 1.182 32.897 31.700 0.026 0.000 0.901 130 A N 1.688 124.467 122.820 -0.070 0.000 2.206 130 A HA 0.199 4.519 4.320 -0.000 0.000 0.211 130 A C 0.675 178.234 177.584 -0.042 0.000 1.158 130 A CA 1.078 53.079 52.037 -0.059 0.000 0.761 130 A CB -0.552 18.438 19.000 -0.016 0.000 0.801 130 A HN 0.620 nan 8.150 nan 0.000 0.473 131 S N -3.995 111.687 115.700 -0.031 0.000 2.565 131 S HA 0.617 5.086 4.470 -0.000 0.000 0.269 131 S C 0.645 175.215 174.600 -0.051 0.000 1.153 131 S CA -0.046 58.132 58.200 -0.037 0.000 0.835 131 S CB 1.110 64.302 63.200 -0.012 0.000 1.122 131 S HN 0.944 nan 8.310 nan 0.000 0.462 132 A N 1.458 124.238 122.820 -0.068 0.000 1.940 132 A HA 0.214 4.534 4.320 -0.000 0.000 0.219 132 A C 2.243 179.797 177.584 -0.050 0.000 1.176 132 A CA 2.064 54.045 52.037 -0.094 0.000 0.631 132 A CB -1.521 17.432 19.000 -0.079 0.000 0.814 132 A HN 1.698 nan 8.150 nan 0.000 0.446 133 A N -0.723 122.092 122.820 -0.008 0.000 2.121 133 A HA -0.099 4.221 4.320 -0.000 0.000 0.218 133 A C 1.892 179.502 177.584 0.043 0.000 1.154 133 A CA 1.489 53.540 52.037 0.023 0.000 0.679 133 A CB -0.413 18.601 19.000 0.024 0.000 0.795 133 A HN 0.678 nan 8.150 nan 0.000 0.458 134 E N -0.053 120.176 120.200 0.049 0.000 2.427 134 E HA -0.034 4.316 4.350 -0.000 0.000 0.196 134 E C 1.482 178.160 176.600 0.131 0.000 1.028 134 E CA 0.622 57.090 56.400 0.113 0.000 0.864 134 E CB -0.057 29.730 29.700 0.145 0.000 0.813 134 E HN 0.355 nan 8.360 nan 0.000 0.514 135 V N 1.661 121.602 119.914 0.044 0.000 2.287 135 V HA -0.203 3.917 4.120 -0.000 0.000 0.248 135 V C -0.741 175.410 176.094 0.094 0.000 1.053 135 V CA 2.119 64.423 62.300 0.006 0.000 1.027 135 V CB -1.308 30.399 31.823 -0.194 0.000 0.646 135 V HN 0.307 nan 8.190 nan 0.000 0.447 136 P HA -0.186 nan 4.420 nan 0.000 0.215 136 P C 1.722 179.127 177.300 0.175 0.000 1.153 136 P CA 1.579 64.782 63.100 0.172 0.000 0.853 136 P CB -0.216 31.594 31.700 0.184 0.000 0.788 137 H N -0.102 119.012 119.070 0.073 0.000 2.353 137 H HA -0.093 4.463 4.556 -0.000 0.000 0.300 137 H C 1.735 177.100 175.328 0.062 0.000 1.090 137 H CA 1.636 57.714 56.048 0.050 0.000 1.327 137 H CB -0.227 29.553 29.762 0.030 0.000 1.383 137 H HN -0.025 nan 8.280 nan 0.000 0.508 138 A N 0.983 123.832 122.820 0.049 0.000 1.933 138 A HA -0.192 4.128 4.320 -0.000 0.000 0.218 138 A C 2.453 180.104 177.584 0.112 0.000 1.175 138 A CA 1.729 53.821 52.037 0.092 0.000 0.628 138 A CB -0.657 18.537 19.000 0.323 0.000 0.814 138 A HN 0.491 nan 8.150 nan 0.000 0.444 139 M N -0.244 119.428 119.600 0.120 0.000 2.132 139 M HA -0.075 4.405 4.480 -0.000 0.000 0.263 139 M C 2.290 178.622 176.300 0.054 0.000 1.065 139 M CA 2.036 57.418 55.300 0.137 0.000 1.122 139 M CB -0.545 32.160 32.600 0.175 0.000 1.365 139 M HN 0.391 nan 8.290 nan 0.000 0.411 140 S N -0.153 115.555 115.700 0.013 0.000 2.370 140 S HA -0.189 4.281 4.470 -0.000 0.000 0.226 140 S C 2.060 176.602 174.600 -0.097 0.000 1.033 140 S CA 1.665 59.852 58.200 -0.020 0.000 1.011 140 S CB -0.212 63.018 63.200 0.051 0.000 0.852 140 S HN 0.611 nan 8.310 nan 0.000 0.457 141 R N 0.667 121.004 120.500 -0.272 0.000 2.091 141 R HA -0.055 4.285 4.340 -0.000 0.000 0.238 141 R C 2.682 178.711 176.300 -0.453 0.000 1.136 141 R CA 1.408 57.209 56.100 -0.499 0.000 0.959 141 R CB -0.675 29.069 30.300 -0.927 0.000 0.856 141 R HN 0.516 nan 8.270 nan 0.000 0.437 142 A N 1.284 123.984 122.820 -0.200 0.000 1.877 142 A HA -0.164 4.155 4.320 -0.000 0.000 0.216 142 A C 2.184 179.772 177.584 0.007 0.000 1.186 142 A CA 1.344 53.421 52.037 0.066 0.000 0.620 142 A CB -0.551 18.612 19.000 0.272 0.000 0.822 142 A HN 0.191 nan 8.150 nan 0.000 0.443 143 I N -1.011 119.524 120.570 -0.059 0.000 2.163 143 I HA -0.292 3.878 4.170 -0.000 0.000 0.243 143 I C 2.500 178.495 176.117 -0.202 0.000 1.085 143 I CA 1.510 62.729 61.300 -0.135 0.000 1.347 143 I CB -0.500 37.341 38.000 -0.265 0.000 1.044 143 I HN 0.412 nan 8.210 nan 0.000 0.408 144 H N -0.278 118.763 119.070 -0.050 0.000 2.395 144 H HA -0.019 4.537 4.556 -0.000 0.000 0.299 144 H C 2.342 177.621 175.328 -0.082 0.000 1.070 144 H CA 1.112 57.118 56.048 -0.069 0.000 1.356 144 H CB -0.157 29.543 29.762 -0.103 0.000 1.401 144 H HN 0.243 nan 8.280 nan 0.000 0.524 145 M N 0.448 120.026 119.600 -0.037 0.000 2.159 145 M HA -0.068 4.412 4.480 -0.000 0.000 0.263 145 M C 2.500 178.823 176.300 0.038 0.000 1.063 145 M CA 1.006 56.281 55.300 -0.042 0.000 1.110 145 M CB -0.974 31.553 32.600 -0.123 0.000 1.374 145 M HN 0.214 nan 8.290 nan 0.000 0.411 146 A N -0.890 121.965 122.820 0.058 0.000 1.968 146 A HA -0.060 4.260 4.320 -0.000 0.000 0.217 146 A C 2.424 180.041 177.584 0.055 0.000 1.169 146 A CA 1.856 53.941 52.037 0.080 0.000 0.638 146 A CB -0.496 18.562 19.000 0.096 0.000 0.812 146 A HN 0.483 nan 8.150 nan 0.000 0.446 147 S N -0.669 115.059 115.700 0.047 0.000 2.458 147 S HA 0.217 4.687 4.470 -0.000 0.000 0.223 147 S C 0.849 175.471 174.600 0.036 0.000 1.019 147 S CA -0.003 58.226 58.200 0.049 0.000 0.937 147 S CB -0.196 63.044 63.200 0.066 0.000 0.788 147 S HN 0.528 nan 8.310 nan 0.000 0.511 148 M N 1.960 121.578 119.600 0.029 0.000 2.245 148 M HA 0.245 4.725 4.480 -0.000 0.000 0.344 148 M C 0.325 176.603 176.300 -0.037 0.000 1.170 148 M CA -0.346 54.954 55.300 0.001 0.000 1.135 148 M CB 0.291 32.887 32.600 -0.007 0.000 1.574 148 M HN 0.150 nan 8.290 nan 0.000 0.452 149 A N 5.079 127.866 122.820 -0.055 0.000 2.477 149 A HA 0.405 4.725 4.320 -0.000 0.000 0.246 149 A C -2.192 175.320 177.584 -0.120 0.000 1.078 149 A CA -1.138 50.836 52.037 -0.107 0.000 0.770 149 A CB -0.721 18.223 19.000 -0.094 0.000 1.011 149 A HN 0.519 nan 8.150 nan 0.000 0.494 150 P HA 0.152 nan 4.420 nan 0.000 0.282 150 P C -0.521 176.618 177.300 -0.269 0.000 1.262 150 P CA -0.094 62.786 63.100 -0.367 0.000 0.773 150 P CB 0.615 31.998 31.700 -0.527 0.000 0.879 151 Q N 1.152 120.827 119.800 -0.208 0.000 2.524 151 Q HA 0.520 4.860 4.340 -0.000 0.000 0.246 151 Q C 0.698 176.682 176.000 -0.027 0.000 1.063 151 Q CA 0.240 56.004 55.803 -0.066 0.000 0.945 151 Q CB 0.422 29.155 28.738 -0.009 0.000 1.292 151 Q HN 0.735 nan 8.270 nan 0.000 0.518 152 G N 0.601 109.418 108.800 0.028 0.000 2.356 152 G HA2 0.310 4.270 3.960 -0.000 0.000 0.294 152 G HA3 0.310 4.270 3.960 -0.000 0.000 0.294 152 G C -3.100 171.880 174.900 0.134 0.000 1.423 152 G CA -0.913 44.219 45.100 0.054 0.000 0.806 152 G HN 0.364 nan 8.290 nan 0.000 0.527 153 P HA 0.483 nan 4.420 nan 0.000 0.275 153 P C -0.069 177.384 177.300 0.255 0.000 1.228 153 P CA -0.239 62.986 63.100 0.209 0.000 0.786 153 P CB 1.649 33.475 31.700 0.210 0.000 0.927 154 V N 0.380 120.437 119.914 0.239 0.000 3.130 154 V HA 0.676 4.796 4.120 -0.000 0.000 0.310 154 V C -1.714 174.554 176.094 0.290 0.000 1.158 154 V CA -1.067 61.414 62.300 0.302 0.000 1.029 154 V CB 2.273 34.313 31.823 0.362 0.000 1.057 154 V HN 0.491 nan 8.190 nan 0.000 0.436 155 Y N 2.581 122.941 120.300 0.099 0.000 2.421 155 Y HA 0.835 5.385 4.550 -0.000 0.000 0.339 155 Y C -1.418 174.458 175.900 -0.039 0.000 0.996 155 Y CA -1.136 56.966 58.100 0.002 0.000 1.046 155 Y CB 2.074 40.508 38.460 -0.044 0.000 1.226 155 Y HN 0.925 nan 8.280 nan 0.000 0.445 156 L N 5.186 126.146 121.223 -0.439 0.000 2.406 156 L HA 0.621 4.961 4.340 -0.000 0.000 0.272 156 L C -1.113 175.418 176.870 -0.564 0.000 0.980 156 L CA -0.230 54.400 54.840 -0.350 0.000 0.831 156 L CB 2.000 44.020 42.059 -0.066 0.000 1.253 156 L HN 0.575 nan 8.230 nan 0.000 0.406 157 S N 4.279 119.712 115.700 -0.446 0.000 2.437 157 S HA 0.808 5.278 4.470 -0.000 0.000 0.305 157 S C -1.063 173.423 174.600 -0.190 0.000 1.109 157 S CA -0.461 57.541 58.200 -0.330 0.000 1.099 157 S CB 0.854 63.921 63.200 -0.222 0.000 1.004 157 S HN 0.440 nan 8.310 nan 0.000 0.475 158 V N 7.628 127.471 119.914 -0.118 0.000 2.407 158 V HA 0.426 4.546 4.120 -0.000 0.000 0.291 158 V C -2.419 173.636 176.094 -0.066 0.000 1.018 158 V CA -2.094 60.127 62.300 -0.132 0.000 0.842 158 V CB 1.454 33.179 31.823 -0.163 0.000 0.996 158 V HN 0.719 nan 8.190 nan 0.000 0.426 159 P HA -0.019 nan 4.420 nan 0.000 0.262 159 P C 0.271 177.549 177.300 -0.036 0.000 1.182 159 P CA 0.134 63.174 63.100 -0.100 0.000 0.761 159 P CB 0.192 31.793 31.700 -0.166 0.000 0.795 160 Y N 3.057 123.411 120.300 0.090 0.000 2.421 160 Y HA -0.148 4.401 4.550 -0.000 0.000 0.292 160 Y C 1.464 177.496 175.900 0.221 0.000 1.136 160 Y CA 1.295 59.543 58.100 0.247 0.000 1.255 160 Y CB -1.288 37.323 38.460 0.252 0.000 0.991 160 Y HN 0.293 nan 8.280 nan 0.000 0.552 161 D N -0.373 119.997 120.400 -0.051 0.000 2.371 161 D HA -0.154 4.486 4.640 -0.000 0.000 0.221 161 D C 0.702 177.014 176.300 0.020 0.000 0.986 161 D CA 0.856 54.866 54.000 0.017 0.000 0.899 161 D CB -0.369 40.339 40.800 -0.155 0.000 0.902 161 D HN 0.373 nan 8.370 nan 0.000 0.530 162 D N 0.406 120.743 120.400 -0.106 0.000 2.183 162 D HA -0.093 4.547 4.640 -0.000 0.000 0.203 162 D C 1.628 177.869 176.300 -0.099 0.000 0.969 162 D CA 0.619 54.498 54.000 -0.203 0.000 0.842 162 D CB -0.553 39.985 40.800 -0.437 0.000 0.957 162 D HN 0.440 nan 8.370 nan 0.000 0.484 163 W N 1.347 122.755 121.300 0.181 0.000 2.388 163 W HA -0.076 4.584 4.660 -0.000 0.000 0.294 163 W C 1.707 178.350 176.519 0.206 0.000 1.212 163 W CA 0.369 57.858 57.345 0.241 0.000 1.271 163 W CB -0.030 29.633 29.460 0.339 0.000 1.126 163 W HN -0.124 nan 8.180 nan 0.000 0.535 164 D N 0.016 120.628 120.400 0.353 0.000 2.363 164 D HA -0.041 4.599 4.640 -0.000 0.000 0.220 164 D C 0.951 177.343 176.300 0.154 0.000 0.994 164 D CA 0.809 54.941 54.000 0.220 0.000 0.890 164 D CB -0.161 40.742 40.800 0.172 0.000 0.906 164 D HN -0.015 nan 8.370 nan 0.000 0.530 165 K N 1.356 121.835 120.400 0.132 0.000 2.149 165 K HA 0.110 4.430 4.320 -0.000 0.000 0.245 165 K C 0.193 176.851 176.600 0.096 0.000 1.024 165 K CA -0.241 56.097 56.287 0.085 0.000 0.899 165 K CB 0.540 33.065 32.500 0.043 0.000 1.038 165 K HN -0.054 nan 8.250 nan 0.000 0.496 166 D N 0.455 120.899 120.400 0.073 0.000 2.304 166 D HA 0.230 4.870 4.640 -0.000 0.000 0.250 166 D C -0.144 176.204 176.300 0.080 0.000 1.107 166 D CA -0.064 53.983 54.000 0.079 0.000 0.885 166 D CB 1.158 41.994 40.800 0.060 0.000 1.192 166 D HN 0.437 nan 8.370 nan 0.000 0.436 167 A N 1.878 124.759 122.820 0.101 0.000 2.302 167 A HA 0.177 4.497 4.320 -0.000 0.000 0.285 167 A C 0.200 177.833 177.584 0.082 0.000 1.105 167 A CA -0.578 51.520 52.037 0.102 0.000 0.816 167 A CB 0.609 19.695 19.000 0.143 0.000 1.067 167 A HN 0.451 nan 8.150 nan 0.000 0.489 168 D N 1.461 121.901 120.400 0.068 0.000 2.383 168 D HA 0.216 4.856 4.640 -0.000 0.000 0.252 168 D C -1.530 174.810 176.300 0.066 0.000 1.166 168 D CA -1.594 52.439 54.000 0.054 0.000 0.879 168 D CB 1.079 41.900 40.800 0.035 0.000 1.164 168 D HN 0.117 nan 8.370 nan 0.000 0.462 169 P HA -0.147 nan 4.420 nan 0.000 0.217 169 P C 1.046 178.436 177.300 0.150 0.000 1.148 169 P CA 0.935 64.093 63.100 0.096 0.000 0.828 169 P CB 0.258 32.003 31.700 0.075 0.000 0.783 170 Q N -0.880 118.980 119.800 0.100 0.000 2.500 170 Q HA -0.014 4.326 4.340 -0.000 0.000 0.213 170 Q C 1.876 177.825 176.000 -0.085 0.000 0.974 170 Q CA 0.837 56.676 55.803 0.061 0.000 0.918 170 Q CB -0.767 28.012 28.738 0.070 0.000 0.980 170 Q HN 0.284 nan 8.270 nan 0.000 0.505 171 S N 0.586 116.241 115.700 -0.074 0.000 2.500 171 S HA -0.134 4.336 4.470 -0.000 0.000 0.239 171 S C 1.579 175.871 174.600 -0.513 0.000 0.989 171 S CA 0.841 58.942 58.200 -0.165 0.000 0.951 171 S CB -0.379 62.799 63.200 -0.037 0.000 0.759 171 S HN 0.606 nan 8.310 nan 0.000 0.523 172 H N 0.714 119.439 119.070 -0.575 0.000 2.456 172 H HA -0.088 4.468 4.556 -0.000 0.000 0.296 172 H C 1.434 176.339 175.328 -0.706 0.000 1.079 172 H CA 1.493 56.969 56.048 -0.953 0.000 1.322 172 H CB -0.711 28.784 29.762 -0.445 0.000 1.388 172 H HN 0.501 nan 8.280 nan 0.000 0.538 173 H N 1.003 119.541 119.070 -0.888 0.000 2.489 173 H HA -0.020 4.536 4.556 -0.000 0.000 0.293 173 H C 2.516 177.682 175.328 -0.270 0.000 1.066 173 H CA 1.067 56.813 56.048 -0.503 0.000 1.305 173 H CB 0.233 29.739 29.762 -0.425 0.000 1.386 173 H HN 0.399 nan 8.280 nan 0.000 0.551 174 L N -0.443 120.663 121.223 -0.195 0.000 2.156 174 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 174 L C 2.183 179.115 176.870 0.103 0.000 1.095 174 L CA 0.427 55.252 54.840 -0.025 0.000 0.770 174 L CB -0.436 41.630 42.059 0.011 0.000 0.914 174 L HN 0.072 nan 8.230 nan 0.000 0.439 175 F N 0.377 120.363 119.950 0.059 0.000 2.126 175 F HA -0.212 4.315 4.527 -0.000 0.000 0.299 175 F C 1.824 177.629 175.800 0.008 0.000 1.096 175 F CA 0.991 59.020 58.000 0.048 0.000 1.255 175 F CB -0.614 38.423 39.000 0.061 0.000 0.997 175 F HN 0.130 nan 8.300 nan 0.000 0.479 176 D N -0.331 120.169 120.400 0.168 0.000 2.463 176 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 176 D C 0.298 176.463 176.300 -0.225 0.000 1.174 176 D CA -0.043 53.950 54.000 -0.011 0.000 0.829 176 D CB -0.003 40.845 40.800 0.080 0.000 0.993 176 D HN 0.114 nan 8.370 nan 0.000 0.497 177 R N 0.643 121.090 120.500 -0.089 0.000 2.522 177 R HA 0.154 4.494 4.340 -0.000 0.000 0.284 177 R C -0.353 175.807 176.300 -0.233 0.000 1.032 177 R CA 0.238 56.276 56.100 -0.103 0.000 1.049 177 R CB 0.243 30.524 30.300 -0.032 0.000 0.956 177 R HN 0.126 nan 8.270 nan 0.000 0.422 178 H N 0.539 119.620 119.070 0.019 0.000 2.511 178 H HA 0.315 4.870 4.556 -0.000 0.000 0.328 178 H C -0.713 174.577 175.328 -0.063 0.000 1.044 178 H CA -0.651 55.409 56.048 0.020 0.000 1.212 178 H CB 1.620 31.397 29.762 0.026 0.000 1.428 178 H HN 0.172 nan 8.280 nan 0.000 0.483 179 V N 2.554 122.481 119.914 0.022 0.000 2.444 179 V HA 0.345 4.465 4.120 -0.000 0.000 0.294 179 V C -0.093 176.013 176.094 0.019 0.000 1.022 179 V CA -0.655 61.611 62.300 -0.056 0.000 0.850 179 V CB 1.658 33.353 31.823 -0.213 0.000 0.992 179 V HN 0.762 nan 8.190 nan 0.000 0.426 180 S N 2.717 118.421 115.700 0.006 0.000 2.472 180 S HA 0.530 5.000 4.470 -0.000 0.000 0.303 180 S C 0.580 175.176 174.600 -0.006 0.000 1.099 180 S CA -0.025 58.180 58.200 0.010 0.000 1.077 180 S CB 1.505 64.709 63.200 0.006 0.000 1.031 180 S HN 0.964 nan 8.310 nan 0.000 0.487 181 S N 2.456 118.153 115.700 -0.005 0.000 2.741 181 S HA 0.199 4.669 4.470 -0.000 0.000 0.247 181 S C 0.273 174.864 174.600 -0.015 0.000 1.050 181 S CA -0.453 57.737 58.200 -0.016 0.000 1.025 181 S CB 0.315 63.500 63.200 -0.024 0.000 0.897 181 S HN 0.502 nan 8.310 nan 0.000 0.508 182 S N 2.736 118.430 115.700 -0.009 0.000 4.139 182 S HA 0.419 4.889 4.470 -0.000 0.000 0.215 182 S C 0.237 174.830 174.600 -0.011 0.000 1.390 182 S CA -0.409 57.786 58.200 -0.008 0.000 0.885 182 S CB -1.167 62.031 63.200 -0.003 0.000 1.560 182 S HN 0.632 nan 8.310 nan 0.000 0.449 183 V N 2.612 122.517 119.914 -0.014 0.000 2.881 183 V HA 0.991 5.110 4.120 -0.000 0.000 0.316 183 V C -0.590 175.496 176.094 -0.014 0.000 1.070 183 V CA -1.285 61.006 62.300 -0.014 0.000 0.976 183 V CB 1.795 33.607 31.823 -0.017 0.000 1.038 183 V HN 0.721 nan 8.190 nan 0.000 0.446 184 R N 2.283 122.776 120.500 -0.012 0.000 2.817 184 R HA 0.758 5.098 4.340 -0.000 0.000 0.268 184 R C -1.034 175.260 176.300 -0.010 0.000 1.027 184 R CA -1.043 55.051 56.100 -0.010 0.000 0.928 184 R CB 0.552 30.848 30.300 -0.007 0.000 1.228 184 R HN 0.784 nan 8.270 nan 0.000 0.469 185 L N 2.114 123.332 121.223 -0.009 0.000 2.525 185 L HA 0.168 4.508 4.340 -0.000 0.000 0.278 185 L C -0.376 176.490 176.870 -0.007 0.000 1.218 185 L CA 0.498 55.333 54.840 -0.008 0.000 0.878 185 L CB -0.113 41.942 42.059 -0.007 0.000 1.127 185 L HN 0.915 nan 8.230 nan 0.000 0.492 186 N N 1.999 120.695 118.700 -0.007 0.000 2.329 186 N HA -0.086 4.654 4.740 -0.000 0.000 0.237 186 N C 0.413 175.920 175.510 -0.004 0.000 1.258 186 N CA 0.212 53.259 53.050 -0.006 0.000 0.866 186 N CB 0.257 38.741 38.487 -0.006 0.000 1.102 186 N HN 0.597 nan 8.380 nan 0.000 0.440 187 D N -0.076 120.322 120.400 -0.004 0.000 2.123 187 D HA -0.250 4.390 4.640 -0.000 0.000 0.196 187 D C 1.587 177.886 176.300 -0.002 0.000 0.992 187 D CA 1.438 55.436 54.000 -0.002 0.000 0.833 187 D CB -0.341 40.458 40.800 -0.002 0.000 0.954 187 D HN 0.841 nan 8.370 nan 0.000 0.455 188 Q N 0.450 120.249 119.800 -0.002 0.000 2.020 188 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 188 Q C 1.242 177.241 176.000 -0.001 0.000 0.982 188 Q CA 1.638 57.440 55.803 -0.001 0.000 0.838 188 Q CB 0.131 28.868 28.738 -0.002 0.000 0.899 188 Q HN 0.113 nan 8.270 nan 0.000 0.423 189 D N 0.331 120.730 120.400 -0.002 0.000 2.183 189 D HA -0.113 4.527 4.640 -0.000 0.000 0.203 189 D C 1.897 178.196 176.300 -0.002 0.000 0.969 189 D CA 0.462 54.460 54.000 -0.003 0.000 0.842 189 D CB -0.084 40.714 40.800 -0.004 0.000 0.957 189 D HN 0.237 nan 8.370 nan 0.000 0.484 190 L N 1.262 122.484 121.223 -0.002 0.000 2.083 190 L HA -0.145 4.195 4.340 -0.000 0.000 0.209 190 L C 1.655 178.526 176.870 0.002 0.000 1.083 190 L CA 1.746 56.585 54.840 -0.000 0.000 0.752 190 L CB -0.566 41.492 42.059 -0.001 0.000 0.899 190 L HN -0.144 nan 8.230 nan 0.000 0.433 191 D N -0.878 119.523 120.400 0.001 0.000 2.144 191 D HA -0.213 4.427 4.640 -0.000 0.000 0.199 191 D C 2.166 178.468 176.300 0.003 0.000 0.984 191 D CA 1.513 55.514 54.000 0.003 0.000 0.834 191 D CB -0.077 40.725 40.800 0.002 0.000 0.955 191 D HN 0.480 nan 8.370 nan 0.000 0.465 192 I N -0.107 120.465 120.570 0.002 0.000 2.179 192 I HA -0.191 3.979 4.170 -0.000 0.000 0.242 192 I C 2.244 178.364 176.117 0.004 0.000 1.088 192 I CA 0.450 61.751 61.300 0.003 0.000 1.357 192 I CB -0.279 37.721 38.000 0.001 0.000 1.051 192 I HN 0.183 nan 8.210 nan 0.000 0.409 193 L N 0.598 121.823 121.223 0.003 0.000 2.012 193 L HA -0.164 4.176 4.340 -0.000 0.000 0.210 193 L C 2.413 179.287 176.870 0.007 0.000 1.073 193 L CA 1.828 56.670 54.840 0.004 0.000 0.748 193 L CB -0.600 41.461 42.059 0.002 0.000 0.891 193 L HN -0.016 nan 8.230 nan 0.000 0.431 194 V N 0.181 120.100 119.914 0.007 0.000 2.332 194 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 194 V C 2.707 178.807 176.094 0.011 0.000 1.055 194 V CA 2.002 64.307 62.300 0.009 0.000 1.038 194 V CB -0.810 31.018 31.823 0.008 0.000 0.651 194 V HN 0.462 nan 8.190 nan 0.000 0.450 195 K N 0.350 120.756 120.400 0.009 0.000 2.097 195 K HA -0.131 4.189 4.320 -0.000 0.000 0.206 195 K C 2.311 178.918 176.600 0.012 0.000 1.049 195 K CA 1.563 57.856 56.287 0.010 0.000 0.933 195 K CB -0.611 31.894 32.500 0.008 0.000 0.717 195 K HN 0.491 nan 8.250 nan 0.000 0.442 196 A N 1.804 124.630 122.820 0.011 0.000 1.902 196 A HA -0.125 4.195 4.320 -0.000 0.000 0.217 196 A C 2.312 179.906 177.584 0.018 0.000 1.181 196 A CA 1.203 53.248 52.037 0.014 0.000 0.623 196 A CB -0.640 18.367 19.000 0.012 0.000 0.818 196 A HN 0.159 nan 8.150 nan 0.000 0.443 197 L N -0.358 120.875 121.223 0.017 0.000 2.046 197 L HA -0.193 4.147 4.340 -0.000 0.000 0.208 197 L C 2.220 179.103 176.870 0.023 0.000 1.077 197 L CA 1.270 56.123 54.840 0.021 0.000 0.747 197 L CB -0.707 41.363 42.059 0.019 0.000 0.896 197 L HN 0.350 nan 8.230 nan 0.000 0.432 198 N N -0.156 118.556 118.700 0.019 0.000 2.223 198 N HA -0.138 4.602 4.740 -0.000 0.000 0.185 198 N C 1.983 177.505 175.510 0.020 0.000 1.016 198 N CA 1.655 54.717 53.050 0.019 0.000 0.863 198 N CB -0.190 38.306 38.487 0.016 0.000 0.983 198 N HN 0.381 nan 8.380 nan 0.000 0.429 199 S N -0.702 115.009 115.700 0.019 0.000 2.548 199 S HA 0.336 4.806 4.470 -0.000 0.000 0.215 199 S C 0.861 175.474 174.600 0.022 0.000 0.976 199 S CA -0.377 57.834 58.200 0.018 0.000 0.908 199 S CB 0.055 63.264 63.200 0.015 0.000 0.781 199 S HN 0.277 nan 8.310 nan 0.000 0.519 200 A N 2.150 124.986 122.820 0.028 0.000 2.511 200 A HA 0.488 4.808 4.320 -0.000 0.000 0.242 200 A C 1.396 179.002 177.584 0.038 0.000 1.069 200 A CA 0.164 52.222 52.037 0.036 0.000 0.763 200 A CB 0.191 19.218 19.000 0.044 0.000 1.001 200 A HN 0.642 nan 8.150 nan 0.000 0.498 201 S N 0.930 116.653 115.700 0.038 0.000 2.478 201 S HA 0.037 4.507 4.470 -0.000 0.000 0.222 201 S C 0.636 175.265 174.600 0.048 0.000 1.008 201 S CA 0.816 59.037 58.200 0.034 0.000 0.928 201 S CB -0.083 63.130 63.200 0.021 0.000 0.781 201 S HN 0.778 nan 8.310 nan 0.000 0.518 202 N N 1.826 120.571 118.700 0.075 0.000 2.666 202 N HA 0.355 5.095 4.740 -0.000 0.000 0.253 202 N C -3.291 172.371 175.510 0.253 0.000 1.621 202 N CA -1.557 51.571 53.050 0.131 0.000 0.785 202 N CB 1.274 39.795 38.487 0.056 0.000 1.332 202 N HN 0.143 nan 8.380 nan 0.000 0.514 203 P HA 0.324 nan 4.420 nan 0.000 0.272 203 P C -0.911 176.427 177.300 0.063 0.000 1.223 203 P CA -0.230 62.940 63.100 0.117 0.000 0.784 203 P CB 1.403 33.141 31.700 0.064 0.000 0.923 204 A N 2.709 125.502 122.820 -0.047 0.000 2.469 204 A HA 0.793 5.113 4.320 -0.000 0.000 0.299 204 A C -0.778 176.785 177.584 -0.035 0.000 1.098 204 A CA -0.847 51.105 52.037 -0.143 0.000 0.737 204 A CB 1.122 19.904 19.000 -0.365 0.000 1.312 204 A HN 0.452 nan 8.150 nan 0.000 0.414 205 I N 0.780 121.341 120.570 -0.015 0.000 2.509 205 I HA 0.520 4.690 4.170 -0.000 0.000 0.293 205 I C -1.044 175.093 176.117 0.032 0.000 1.020 205 I CA -0.939 60.354 61.300 -0.011 0.000 1.088 205 I CB 2.283 40.243 38.000 -0.066 0.000 1.267 205 I HN 0.308 nan 8.210 nan 0.000 0.430 206 V N 6.783 126.724 119.914 0.045 0.000 2.483 206 V HA 0.482 4.602 4.120 -0.000 0.000 0.297 206 V C -0.283 175.843 176.094 0.054 0.000 1.027 206 V CA -0.527 61.812 62.300 0.064 0.000 0.855 206 V CB 1.802 33.682 31.823 0.094 0.000 0.995 206 V HN 0.454 nan 8.190 nan 0.000 0.424 207 L N 4.013 125.259 121.223 0.038 0.000 2.334 207 L HA 0.918 5.258 4.340 -0.000 0.000 0.276 207 L C 0.717 177.629 176.870 0.069 0.000 1.014 207 L CA -0.279 54.596 54.840 0.058 0.000 0.815 207 L CB 1.906 44.009 42.059 0.074 0.000 1.268 207 L HN 0.755 nan 8.230 nan 0.000 0.428 208 G N 0.879 109.725 108.800 0.078 0.000 3.108 208 G HA2 0.543 4.503 3.960 -0.000 0.000 0.268 208 G HA3 0.543 4.503 3.960 -0.000 0.000 0.268 208 G C -2.229 172.730 174.900 0.097 0.000 1.361 208 G CA -0.890 44.258 45.100 0.081 0.000 1.047 208 G HN 0.403 nan 8.290 nan 0.000 0.540 209 P HA -0.007 nan 4.420 nan 0.000 0.221 209 P C 0.514 177.883 177.300 0.115 0.000 1.150 209 P CA 0.843 64.015 63.100 0.120 0.000 0.800 209 P CB 0.360 32.131 31.700 0.118 0.000 0.787 210 D N -0.283 120.184 120.400 0.112 0.000 2.310 210 D HA -0.056 4.583 4.640 -0.000 0.000 0.212 210 D C 1.994 178.339 176.300 0.076 0.000 0.965 210 D CA 0.535 54.597 54.000 0.104 0.000 0.879 210 D CB -0.227 40.635 40.800 0.103 0.000 0.921 210 D HN 0.053 nan 8.370 nan 0.000 0.510 211 V N 1.074 121.035 119.914 0.078 0.000 2.270 211 V HA -0.238 3.882 4.120 -0.000 0.000 0.245 211 V C 2.202 178.338 176.094 0.068 0.000 1.043 211 V CA 1.865 64.207 62.300 0.071 0.000 1.014 211 V CB -0.340 31.535 31.823 0.087 0.000 0.645 211 V HN 0.071 nan 8.190 nan 0.000 0.447 212 D N 0.052 120.500 120.400 0.079 0.000 2.117 212 D HA -0.112 4.528 4.640 -0.000 0.000 0.198 212 D C 2.111 178.456 176.300 0.076 0.000 0.982 212 D CA 1.374 55.415 54.000 0.069 0.000 0.828 212 D CB -0.170 40.668 40.800 0.064 0.000 0.967 212 D HN 0.351 nan 8.370 nan 0.000 0.464 213 A N 0.257 123.133 122.820 0.092 0.000 1.978 213 A HA -0.001 4.319 4.320 -0.000 0.000 0.220 213 A C 2.211 179.833 177.584 0.062 0.000 1.170 213 A CA 1.993 54.086 52.037 0.093 0.000 0.636 213 A CB -0.757 18.304 19.000 0.103 0.000 0.810 213 A HN 0.312 nan 8.150 nan 0.000 0.448 214 A N -1.561 121.289 122.820 0.050 0.000 2.251 214 A HA 0.211 4.531 4.320 -0.000 0.000 0.209 214 A C 0.983 178.583 177.584 0.028 0.000 1.187 214 A CA 0.674 52.731 52.037 0.033 0.000 0.823 214 A CB -0.408 18.608 19.000 0.027 0.000 0.846 214 A HN 0.509 nan 8.150 nan 0.000 0.486 215 N N -1.736 116.983 118.700 0.032 0.000 2.727 215 N HA -0.226 4.514 4.740 -0.000 0.000 0.249 215 N C 0.605 176.123 175.510 0.014 0.000 1.048 215 N CA 0.867 53.929 53.050 0.020 0.000 0.714 215 N CB -1.298 37.197 38.487 0.013 0.000 0.959 215 N HN 0.613 nan 8.380 nan 0.000 0.544 216 A N -0.829 122.005 122.820 0.023 0.000 2.278 216 A HA 0.120 4.440 4.320 -0.000 0.000 0.212 216 A C 1.708 179.306 177.584 0.024 0.000 1.213 216 A CA 0.552 52.603 52.037 0.023 0.000 0.840 216 A CB -0.019 19.000 19.000 0.031 0.000 0.866 216 A HN 0.477 nan 8.150 nan 0.000 0.489 217 N N 1.602 120.309 118.700 0.011 0.000 2.043 217 N HA -0.153 4.587 4.740 -0.000 0.000 0.193 217 N C 1.828 177.302 175.510 -0.060 0.000 1.037 217 N CA 1.881 54.926 53.050 -0.008 0.000 0.851 217 N CB -0.450 38.011 38.487 -0.045 0.000 1.027 217 N HN 0.443 nan 8.380 nan 0.000 0.422 218 A N 0.892 123.672 122.820 -0.067 0.000 1.933 218 A HA -0.142 4.178 4.320 -0.000 0.000 0.218 218 A C 1.640 179.197 177.584 -0.045 0.000 1.175 218 A CA 1.569 53.556 52.037 -0.082 0.000 0.628 218 A CB -0.461 18.502 19.000 -0.061 0.000 0.814 218 A HN 0.141 nan 8.150 nan 0.000 0.444 219 D N -0.337 120.056 120.400 -0.013 0.000 2.144 219 D HA -0.126 4.514 4.640 -0.000 0.000 0.199 219 D C 2.014 178.333 176.300 0.032 0.000 0.984 219 D CA 1.405 55.410 54.000 0.008 0.000 0.834 219 D CB -0.545 40.263 40.800 0.013 0.000 0.955 219 D HN 0.459 nan 8.370 nan 0.000 0.465 220 C N 0.311 119.646 119.300 0.057 0.000 2.425 220 C HA -0.066 4.394 4.460 -0.000 0.000 0.277 220 C C 2.946 178.056 174.990 0.200 0.000 1.280 220 C CA 0.065 59.163 59.018 0.134 0.000 1.744 220 C CB -0.814 27.045 27.740 0.198 0.000 1.989 220 C HN 0.170 nan 8.230 nan 0.000 0.491 221 V N 0.956 120.900 119.914 0.051 0.000 2.332 221 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 221 V C 2.462 178.562 176.094 0.010 0.000 1.055 221 V CA 2.443 64.684 62.300 -0.099 0.000 1.038 221 V CB -0.673 30.924 31.823 -0.377 0.000 0.651 221 V HN 0.557 nan 8.190 nan 0.000 0.450 222 M N -0.122 119.487 119.600 0.015 0.000 2.086 222 M HA -0.136 4.344 4.480 -0.000 0.000 0.261 222 M C 1.871 178.201 176.300 0.050 0.000 1.067 222 M CA 1.910 57.230 55.300 0.033 0.000 1.116 222 M CB -0.734 31.877 32.600 0.020 0.000 1.348 222 M HN 0.254 nan 8.290 nan 0.000 0.407 223 L N 0.587 121.842 121.223 0.054 0.000 2.012 223 L HA -0.065 4.275 4.340 -0.000 0.000 0.210 223 L C 2.386 179.292 176.870 0.059 0.000 1.073 223 L CA 2.413 57.284 54.840 0.052 0.000 0.748 223 L CB -1.448 40.641 42.059 0.050 0.000 0.891 223 L HN 0.403 nan 8.230 nan 0.000 0.431 224 A N -1.028 121.841 122.820 0.082 0.000 1.902 224 A HA -0.219 4.101 4.320 -0.000 0.000 0.217 224 A C 2.161 179.805 177.584 0.099 0.000 1.181 224 A CA 1.753 53.836 52.037 0.076 0.000 0.623 224 A CB -0.615 18.446 19.000 0.102 0.000 0.818 224 A HN 0.609 nan 8.150 nan 0.000 0.443 225 E N -0.644 119.630 120.200 0.123 0.000 2.077 225 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 225 E C 2.355 179.004 176.600 0.080 0.000 0.989 225 E CA 0.852 57.330 56.400 0.129 0.000 0.800 225 E CB -0.152 29.631 29.700 0.139 0.000 0.746 225 E HN 0.372 nan 8.360 nan 0.000 0.452 226 R N 0.450 120.988 120.500 0.062 0.000 2.073 226 R HA -0.082 4.258 4.340 -0.000 0.000 0.234 226 R C 2.312 178.637 176.300 0.042 0.000 1.134 226 R CA 0.953 57.080 56.100 0.046 0.000 0.952 226 R CB -0.451 29.871 30.300 0.037 0.000 0.850 226 R HN 0.262 nan 8.270 nan 0.000 0.433 227 L N 1.093 122.342 121.223 0.044 0.000 2.554 227 L HA 0.035 4.375 4.340 -0.000 0.000 0.226 227 L C 0.163 177.059 176.870 0.043 0.000 1.137 227 L CA 0.135 54.998 54.840 0.039 0.000 0.863 227 L CB -0.057 42.023 42.059 0.034 0.000 0.985 227 L HN 0.048 nan 8.230 nan 0.000 0.451 228 K N -0.310 120.120 120.400 0.051 0.000 3.096 228 K HA -0.174 4.146 4.320 -0.000 0.000 0.266 228 K C -0.020 176.607 176.600 0.045 0.000 1.043 228 K CA 0.878 57.197 56.287 0.053 0.000 0.758 228 K CB -2.092 30.435 32.500 0.045 0.000 1.260 228 K HN 0.325 nan 8.250 nan 0.000 0.481 229 A N 1.208 124.046 122.820 0.030 0.000 2.317 229 A HA 0.633 4.953 4.320 -0.000 0.000 0.327 229 A C -2.089 175.451 177.584 -0.073 0.000 1.178 229 A CA -1.512 50.522 52.037 -0.005 0.000 0.817 229 A CB 0.921 19.913 19.000 -0.014 0.000 1.189 229 A HN -0.031 nan 8.150 nan 0.000 0.489 230 P HA 0.240 nan 4.420 nan 0.000 0.269 230 P C -0.676 176.364 177.300 -0.433 0.000 1.209 230 P CA 0.109 63.002 63.100 -0.344 0.000 0.776 230 P CB 0.853 32.280 31.700 -0.455 0.000 0.876 231 V N 3.755 123.302 119.914 -0.611 0.000 2.487 231 V HA 0.369 4.489 4.120 -0.000 0.000 0.298 231 V C -0.130 175.538 176.094 -0.710 0.000 1.028 231 V CA -0.487 61.466 62.300 -0.578 0.000 0.860 231 V CB 1.782 33.057 31.823 -0.915 0.000 0.991 231 V HN 0.604 nan 8.190 nan 0.000 0.427 232 W N 2.732 123.791 121.300 -0.401 0.000 2.639 232 W HA 0.671 5.331 4.660 -0.000 0.000 0.347 232 W C -0.708 175.623 176.519 -0.314 0.000 1.067 232 W CA -0.710 56.366 57.345 -0.448 0.000 1.218 232 W CB 2.200 31.426 29.460 -0.389 0.000 1.393 232 W HN 0.268 nan 8.180 nan 0.000 0.557 233 V N 2.412 122.258 119.914 -0.113 0.000 2.465 233 V HA 0.360 4.480 4.120 -0.000 0.000 0.279 233 V C 0.687 176.666 176.094 -0.192 0.000 1.045 233 V CA -0.867 61.359 62.300 -0.123 0.000 0.938 233 V CB 0.450 32.114 31.823 -0.264 0.000 0.986 233 V HN 0.582 nan 8.190 nan 0.000 0.467 234 A N 8.225 130.977 122.820 -0.114 0.000 2.466 234 A HA 0.464 4.784 4.320 -0.000 0.000 0.238 234 A C -1.836 175.639 177.584 -0.183 0.000 1.074 234 A CA -0.777 51.180 52.037 -0.134 0.000 0.774 234 A CB -0.349 18.670 19.000 0.031 0.000 1.015 234 A HN 0.709 nan 8.150 nan 0.000 0.498 235 P HA 0.129 nan 4.420 nan 0.000 0.272 235 P C -0.111 177.142 177.300 -0.079 0.000 1.240 235 P CA 0.377 63.373 63.100 -0.174 0.000 0.791 235 P CB 0.543 32.154 31.700 -0.148 0.000 0.978 236 S N -2.022 113.638 115.700 -0.067 0.000 3.682 236 S HA -0.163 4.307 4.470 -0.000 0.000 0.354 236 S C 0.586 175.219 174.600 0.054 0.000 1.034 236 S CA 0.682 58.890 58.200 0.014 0.000 1.084 236 S CB -2.222 61.048 63.200 0.117 0.000 0.903 236 S HN 0.932 nan 8.310 nan 0.000 0.470 237 A N 0.886 123.688 122.820 -0.031 0.000 2.515 237 A HA 0.444 4.764 4.320 -0.000 0.000 0.263 237 A C -0.547 177.271 177.584 0.390 0.000 1.096 237 A CA -0.873 51.239 52.037 0.126 0.000 0.769 237 A CB 0.115 19.139 19.000 0.041 0.000 1.040 237 A HN 0.289 nan 8.150 nan 0.000 0.505 238 P HA 0.014 nan 4.420 nan 0.000 0.225 238 P C 0.237 177.772 177.300 0.391 0.000 1.156 238 P CA 0.986 64.318 63.100 0.386 0.000 0.787 238 P CB 0.300 32.112 31.700 0.187 0.000 0.802 239 R N -2.757 117.973 120.500 0.383 0.000 2.781 239 R HA 0.536 4.876 4.340 -0.000 0.000 0.269 239 R C -1.443 175.069 176.300 0.353 0.000 1.025 239 R CA -0.804 55.459 56.100 0.271 0.000 0.914 239 R CB 1.202 31.564 30.300 0.102 0.000 1.236 239 R HN -0.144 nan 8.270 nan 0.000 0.465 240 C N 2.957 122.382 119.300 0.209 0.000 2.251 240 C HA 0.520 4.980 4.460 -0.000 0.000 0.323 240 C C -1.680 173.391 174.990 0.135 0.000 1.241 240 C CA -1.868 57.281 59.018 0.218 0.000 1.601 240 C CB 0.605 28.340 27.740 -0.009 0.000 2.251 240 C HN 0.625 nan 8.230 nan 0.000 0.488 241 P HA 0.228 nan 4.420 nan 0.000 0.268 241 P C -0.325 177.095 177.300 0.199 0.000 1.329 241 P CA 0.244 63.437 63.100 0.155 0.000 0.899 241 P CB 0.089 31.891 31.700 0.170 0.000 1.378 242 F N 1.255 121.157 119.950 -0.081 0.000 2.665 242 F HA 0.461 4.988 4.527 -0.000 0.000 0.308 242 F C -2.696 172.892 175.800 -0.353 0.000 1.112 242 F CA -2.344 55.541 58.000 -0.191 0.000 0.972 242 F CB 1.905 40.819 39.000 -0.143 0.000 1.295 242 F HN -0.355 nan 8.300 nan 0.000 0.440 243 P HA 0.107 nan 4.420 nan 0.000 0.266 243 P C 0.490 177.558 177.300 -0.387 0.000 1.215 243 P CA 0.152 63.023 63.100 -0.382 0.000 0.763 243 P CB 0.600 32.095 31.700 -0.342 0.000 0.806 244 T N 0.452 114.766 114.554 -0.399 0.000 3.113 244 T HA -0.013 4.337 4.350 -0.000 0.000 0.263 244 T C 1.072 175.762 174.700 -0.017 0.000 1.143 244 T CA 0.665 62.485 62.100 -0.467 0.000 1.090 244 T CB -0.273 68.474 68.868 -0.203 0.000 0.922 244 T HN 0.196 nan 8.240 nan 0.000 0.521 245 R N 0.413 120.916 120.500 0.006 0.000 2.543 245 R HA 0.207 4.547 4.340 -0.000 0.000 0.323 245 R C 0.167 176.523 176.300 0.094 0.000 1.002 245 R CA -0.365 55.779 56.100 0.073 0.000 1.106 245 R CB -0.259 30.055 30.300 0.023 0.000 1.280 245 R HN 0.586 nan 8.270 nan 0.000 0.549 246 H N 2.490 121.586 119.070 0.043 0.000 2.815 246 H HA 0.064 4.620 4.556 -0.000 0.000 0.350 246 H C -1.539 173.879 175.328 0.150 0.000 1.080 246 H CA -1.158 54.936 56.048 0.076 0.000 1.433 246 H CB 1.722 31.530 29.762 0.077 0.000 1.432 246 H HN -0.181 nan 8.280 nan 0.000 0.592 247 P HA -0.119 nan 4.420 nan 0.000 0.219 247 P C 1.341 178.731 177.300 0.150 0.000 1.146 247 P CA 1.089 64.178 63.100 -0.017 0.000 0.808 247 P CB -0.004 31.616 31.700 -0.133 0.000 0.779 248 C N -2.803 116.766 119.300 0.448 0.000 2.481 248 C HA 0.127 4.587 4.460 -0.000 0.000 0.275 248 C C 1.263 176.279 174.990 0.044 0.000 1.419 248 C CA -0.585 58.572 59.018 0.232 0.000 1.773 248 C CB -1.923 25.968 27.740 0.252 0.000 1.862 248 C HN 0.093 nan 8.230 nan 0.000 0.530 249 F N 2.080 122.058 119.950 0.047 0.000 2.495 249 F HA 0.234 4.761 4.527 -0.000 0.000 0.365 249 F C 1.285 176.913 175.800 -0.287 0.000 1.090 249 F CA 0.092 58.010 58.000 -0.137 0.000 1.235 249 F CB 0.452 39.521 39.000 0.114 0.000 1.119 249 F HN -0.022 nan 8.300 nan 0.000 0.562 250 R N 3.424 123.236 120.500 -1.146 0.000 2.476 250 R HA 0.344 4.684 4.340 -0.000 0.000 0.276 250 R C 0.625 176.309 176.300 -1.026 0.000 0.941 250 R CA 0.389 55.827 56.100 -1.103 0.000 1.088 250 R CB 0.020 29.314 30.300 -1.678 0.000 1.216 250 R HN 0.955 nan 8.270 nan 0.000 0.533 251 G N 1.235 109.101 108.800 -1.556 0.000 2.526 251 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.250 251 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.250 251 G C -1.212 173.311 174.900 -0.629 0.000 1.289 251 G CA -0.568 43.982 45.100 -0.915 0.000 0.947 251 G HN 0.140 nan 8.290 nan 0.000 0.517 252 L N 0.853 121.753 121.223 -0.538 0.000 2.360 252 L HA 0.702 5.041 4.340 -0.000 0.000 0.276 252 L C 1.085 177.744 176.870 -0.352 0.000 1.121 252 L CA -0.142 54.308 54.840 -0.650 0.000 0.845 252 L CB 0.527 41.983 42.059 -1.005 0.000 1.143 252 L HN 0.597 nan 8.230 nan 0.000 0.452 253 M N 7.014 126.427 119.600 -0.312 0.000 2.228 253 M HA 0.268 4.748 4.480 -0.000 0.000 0.351 253 M C -1.965 174.179 176.300 -0.259 0.000 1.233 253 M CA -1.473 53.648 55.300 -0.298 0.000 1.129 253 M CB 0.353 32.700 32.600 -0.421 0.000 1.604 253 M HN 0.472 nan 8.290 nan 0.000 0.457 254 P HA 0.058 nan 4.420 nan 0.000 0.268 254 P C -0.747 176.503 177.300 -0.083 0.000 1.205 254 P CA -0.105 62.914 63.100 -0.135 0.000 0.771 254 P CB 0.528 32.161 31.700 -0.110 0.000 0.858 255 A N 2.794 125.613 122.820 -0.002 0.000 3.135 255 A HA 0.515 4.835 4.320 -0.000 0.000 0.253 255 A C 0.699 178.432 177.584 0.247 0.000 1.638 255 A CA 0.142 52.254 52.037 0.125 0.000 1.295 255 A CB -1.222 17.888 19.000 0.184 0.000 1.106 255 A HN 0.582 nan 8.150 nan 0.000 0.648 256 G N -0.769 108.146 108.800 0.192 0.000 2.638 256 G HA2 0.488 4.448 3.960 -0.000 0.000 0.302 256 G HA3 0.488 4.448 3.960 -0.000 0.000 0.302 256 G C 0.549 175.439 174.900 -0.017 0.000 1.365 256 G CA -0.634 44.512 45.100 0.077 0.000 0.987 256 G HN 0.158 nan 8.290 nan 0.000 0.495 257 I N 1.419 121.774 120.570 -0.358 0.000 2.127 257 I HA -0.226 3.944 4.170 -0.000 0.000 0.241 257 I C 3.026 179.048 176.117 -0.159 0.000 1.075 257 I CA 1.990 63.035 61.300 -0.426 0.000 1.334 257 I CB -0.015 37.637 38.000 -0.580 0.000 1.040 257 I HN 0.557 nan 8.210 nan 0.000 0.405 258 A N 0.388 123.094 122.820 -0.190 0.000 1.929 258 A HA -0.070 4.250 4.320 -0.000 0.000 0.216 258 A C 2.522 180.039 177.584 -0.112 0.000 1.176 258 A CA 1.526 53.475 52.037 -0.147 0.000 0.628 258 A CB -0.870 18.032 19.000 -0.165 0.000 0.816 258 A HN 0.426 nan 8.150 nan 0.000 0.444 259 A N 0.222 122.977 122.820 -0.108 0.000 1.892 259 A HA -0.160 4.160 4.320 -0.000 0.000 0.218 259 A C 2.124 179.618 177.584 -0.149 0.000 1.188 259 A CA 1.725 53.695 52.037 -0.112 0.000 0.631 259 A CB -0.648 18.292 19.000 -0.100 0.000 0.822 259 A HN 0.509 nan 8.150 nan 0.000 0.447 260 I N 0.555 121.043 120.570 -0.136 0.000 2.252 260 I HA -0.233 3.937 4.170 -0.000 0.000 0.245 260 I C 2.860 178.874 176.117 -0.171 0.000 1.102 260 I CA 1.535 62.702 61.300 -0.222 0.000 1.385 260 I CB -0.316 37.543 38.000 -0.235 0.000 1.064 260 I HN 0.518 nan 8.210 nan 0.000 0.414 261 S N 0.248 115.909 115.700 -0.064 0.000 2.399 261 S HA -0.266 4.204 4.470 -0.000 0.000 0.231 261 S C 1.919 176.475 174.600 -0.074 0.000 1.022 261 S CA 1.156 59.334 58.200 -0.037 0.000 0.983 261 S CB -0.382 62.818 63.200 0.001 0.000 0.803 261 S HN 0.366 nan 8.310 nan 0.000 0.480 262 Q N 1.570 121.312 119.800 -0.097 0.000 2.079 262 Q HA 0.148 4.488 4.340 -0.000 0.000 0.200 262 Q C 2.008 177.941 176.000 -0.112 0.000 0.974 262 Q CA 1.460 57.209 55.803 -0.091 0.000 0.840 262 Q CB -0.786 27.901 28.738 -0.085 0.000 0.898 262 Q HN 0.652 nan 8.270 nan 0.000 0.430 263 L N -0.326 120.779 121.223 -0.196 0.000 2.079 263 L HA -0.166 4.174 4.340 -0.000 0.000 0.210 263 L C 1.972 178.676 176.870 -0.276 0.000 1.081 263 L CA 0.978 55.640 54.840 -0.297 0.000 0.752 263 L CB -0.342 41.350 42.059 -0.611 0.000 0.896 263 L HN 0.265 nan 8.230 nan 0.000 0.433 264 L N -0.743 120.336 121.223 -0.240 0.000 2.599 264 L HA 0.013 4.353 4.340 -0.000 0.000 0.230 264 L C 1.127 178.043 176.870 0.076 0.000 1.141 264 L CA -0.205 54.590 54.840 -0.075 0.000 0.877 264 L CB -0.362 41.631 42.059 -0.110 0.000 1.009 264 L HN 0.233 nan 8.230 nan 0.000 0.447 265 E N 0.748 120.950 120.200 0.002 0.000 2.452 265 E HA 0.105 4.455 4.350 -0.000 0.000 0.261 265 E C 1.197 177.754 176.600 -0.071 0.000 0.987 265 E CA 0.834 57.222 56.400 -0.020 0.000 0.926 265 E CB 0.400 30.078 29.700 -0.037 0.000 0.934 265 E HN 0.296 nan 8.360 nan 0.000 0.452 266 G N 4.002 112.752 108.800 -0.083 0.000 2.225 266 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.254 266 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.254 266 G C -0.094 174.667 174.900 -0.230 0.000 0.988 266 G CA 0.229 45.232 45.100 -0.161 0.000 0.625 266 G HN 0.725 nan 8.290 nan 0.000 0.527 267 H N 1.726 120.806 119.070 0.016 0.000 2.652 267 H HA 0.258 4.814 4.556 -0.000 0.000 0.298 267 H C 1.241 176.582 175.328 0.020 0.000 1.076 267 H CA 0.329 56.394 56.048 0.028 0.000 1.360 267 H CB 1.370 31.157 29.762 0.042 0.000 1.421 267 H HN 0.485 nan 8.280 nan 0.000 0.464 268 D N 2.370 122.841 120.400 0.117 0.000 2.183 268 D HA -0.072 4.568 4.640 -0.000 0.000 0.203 268 D C 0.479 176.821 176.300 0.071 0.000 0.969 268 D CA 0.495 54.538 54.000 0.071 0.000 0.842 268 D CB 0.394 41.222 40.800 0.046 0.000 0.957 268 D HN 0.114 nan 8.370 nan 0.000 0.484 269 V N 1.022 120.987 119.914 0.086 0.000 2.577 269 V HA 0.342 4.462 4.120 -0.000 0.000 0.303 269 V C -0.497 175.634 176.094 0.063 0.000 1.042 269 V CA -1.007 61.330 62.300 0.062 0.000 0.872 269 V CB 2.545 34.395 31.823 0.046 0.000 0.998 269 V HN -0.085 nan 8.190 nan 0.000 0.423 270 V N 5.842 125.784 119.914 0.047 0.000 2.409 270 V HA 0.465 4.585 4.120 -0.000 0.000 0.291 270 V C -0.490 175.621 176.094 0.029 0.000 1.020 270 V CA -0.579 61.740 62.300 0.032 0.000 0.848 270 V CB 1.697 33.543 31.823 0.038 0.000 0.990 270 V HN 0.660 nan 8.190 nan 0.000 0.430 271 L N 7.390 128.627 121.223 0.023 0.000 2.262 271 L HA 0.604 4.944 4.340 -0.000 0.000 0.288 271 L C -0.329 176.558 176.870 0.028 0.000 1.035 271 L CA 0.165 55.017 54.840 0.019 0.000 0.820 271 L CB 1.430 43.498 42.059 0.015 0.000 1.204 271 L HN 0.450 nan 8.230 nan 0.000 0.424 272 V N 6.814 126.743 119.914 0.026 0.000 2.407 272 V HA 0.472 4.592 4.120 -0.000 0.000 0.278 272 V C 0.186 176.292 176.094 0.020 0.000 1.037 272 V CA -0.391 61.934 62.300 0.041 0.000 0.900 272 V CB 1.322 33.164 31.823 0.031 0.000 0.983 272 V HN 0.581 nan 8.190 nan 0.000 0.459 273 I N 3.608 124.198 120.570 0.033 0.000 2.447 273 I HA 0.604 4.774 4.170 -0.000 0.000 0.287 273 I C 0.952 177.092 176.117 0.038 0.000 1.023 273 I CA -0.410 60.907 61.300 0.028 0.000 1.083 273 I CB 1.663 39.683 38.000 0.033 0.000 1.245 273 I HN 0.840 nan 8.210 nan 0.000 0.434 274 G N 4.367 113.185 108.800 0.029 0.000 2.147 274 G HA2 -0.077 3.883 3.960 -0.000 0.000 0.244 274 G HA3 -0.077 3.883 3.960 -0.000 0.000 0.244 274 G C -0.030 174.905 174.900 0.059 0.000 1.005 274 G CA 0.174 45.301 45.100 0.045 0.000 0.713 274 G HN 1.009 nan 8.290 nan 0.000 0.515 275 A N -0.553 122.293 122.820 0.043 0.000 2.454 275 A HA 0.965 5.285 4.320 -0.000 0.000 0.302 275 A C -2.629 174.953 177.584 -0.003 0.000 1.079 275 A CA -1.460 50.603 52.037 0.044 0.000 0.731 275 A CB 1.840 20.890 19.000 0.084 0.000 1.299 275 A HN 0.105 nan 8.150 nan 0.000 0.413 276 P HA 0.357 nan 4.420 nan 0.000 0.274 276 P C -0.766 176.421 177.300 -0.189 0.000 1.237 276 P CA -0.208 62.845 63.100 -0.078 0.000 0.793 276 P CB 0.746 32.415 31.700 -0.052 0.000 0.977 277 V N 3.299 122.991 119.914 -0.370 0.000 2.275 277 V HA 0.352 4.472 4.120 -0.000 0.000 0.272 277 V C -0.439 175.303 176.094 -0.587 0.000 1.028 277 V CA 0.019 61.793 62.300 -0.876 0.000 0.810 277 V CB -0.943 30.376 31.823 -0.840 0.000 1.043 277 V HN 0.372 nan 8.190 nan 0.000 0.453 278 F N 2.346 122.036 119.950 -0.434 0.000 2.611 278 F HA 0.626 5.153 4.527 -0.000 0.000 0.324 278 F C 0.539 175.978 175.800 -0.602 0.000 1.061 278 F CA -1.419 56.233 58.000 -0.580 0.000 0.954 278 F CB 1.747 40.249 39.000 -0.830 0.000 1.301 278 F HN 0.181 nan 8.300 nan 0.000 0.482 279 R N 1.615 122.036 120.500 -0.131 0.000 3.710 279 R HA 0.239 4.579 4.340 -0.000 0.000 0.201 279 R C -1.304 175.005 176.300 0.015 0.000 1.641 279 R CA -0.137 55.936 56.100 -0.044 0.000 1.390 279 R CB -1.258 29.048 30.300 0.011 0.000 1.341 279 R HN 0.356 nan 8.270 nan 0.000 0.728 280 Y N -0.074 120.336 120.300 0.183 0.000 2.459 280 Y HA 0.046 4.596 4.550 -0.000 0.000 0.349 280 Y C 1.731 177.776 175.900 0.243 0.000 1.266 280 Y CA 0.597 58.813 58.100 0.194 0.000 1.483 280 Y CB 0.416 39.006 38.460 0.216 0.000 1.362 280 Y HN 0.500 nan 8.280 nan 0.000 0.628 281 H N -1.207 118.058 119.070 0.325 0.000 2.984 281 H HA 0.120 4.676 4.556 -0.000 0.000 0.137 281 H C 0.068 175.596 175.328 0.333 0.000 1.110 281 H CA -0.126 56.089 56.048 0.279 0.000 1.070 281 H CB 0.455 30.365 29.762 0.247 0.000 1.019 281 H HN 0.641 nan 8.280 nan 0.000 0.291 282 Q N 1.338 121.366 119.800 0.380 0.000 2.421 282 Q HA -0.078 4.262 4.340 -0.000 0.000 0.255 282 Q C -1.051 175.133 176.000 0.307 0.000 1.013 282 Q CA -0.094 55.898 55.803 0.316 0.000 0.895 282 Q CB 0.654 29.448 28.738 0.092 0.000 1.271 282 Q HN 0.456 nan 8.270 nan 0.000 0.460 283 Y N 1.757 122.137 120.300 0.133 0.000 2.452 283 Y HA 0.193 4.743 4.550 -0.000 0.000 0.348 283 Y C -0.907 174.984 175.900 -0.015 0.000 0.985 283 Y CA -0.896 57.235 58.100 0.051 0.000 1.214 283 Y CB 0.667 39.164 38.460 0.062 0.000 1.136 283 Y HN 0.746 nan 8.280 nan 0.000 0.523 284 D N 8.829 129.026 120.400 -0.338 0.000 2.656 284 D HA 0.266 4.906 4.640 -0.000 0.000 0.303 284 D C -2.988 173.032 176.300 -0.468 0.000 1.199 284 D CA -2.038 51.761 54.000 -0.335 0.000 0.797 284 D CB 0.760 41.455 40.800 -0.175 0.000 1.170 284 D HN 0.239 nan 8.370 nan 0.000 0.509 285 P HA 0.452 nan 4.420 nan 0.000 0.269 285 P C 0.397 177.477 177.300 -0.368 0.000 1.209 285 P CA 0.212 62.945 63.100 -0.611 0.000 0.776 285 P CB 1.729 33.021 31.700 -0.680 0.000 0.876 286 G N 1.345 109.943 108.800 -0.337 0.000 2.360 286 G HA2 0.097 4.057 3.960 -0.000 0.000 0.276 286 G HA3 0.097 4.057 3.960 -0.000 0.000 0.276 286 G C -1.598 173.127 174.900 -0.292 0.000 1.256 286 G CA -0.695 44.251 45.100 -0.258 0.000 0.890 286 G HN 0.455 nan 8.290 nan 0.000 0.486 287 Q N -0.295 119.384 119.800 -0.202 0.000 2.314 287 Q HA 0.400 4.740 4.340 -0.000 0.000 0.258 287 Q C 0.313 176.246 176.000 -0.111 0.000 0.954 287 Q CA -0.459 55.252 55.803 -0.153 0.000 0.890 287 Q CB 1.172 29.872 28.738 -0.065 0.000 1.210 287 Q HN 0.509 nan 8.270 nan 0.000 0.410 288 Y N 1.345 121.653 120.300 0.014 0.000 2.200 288 Y HA -0.059 4.491 4.550 -0.000 0.000 0.290 288 Y C 0.546 176.498 175.900 0.086 0.000 1.137 288 Y CA 0.943 59.086 58.100 0.073 0.000 1.163 288 Y CB 0.309 38.821 38.460 0.088 0.000 0.988 288 Y HN 0.405 nan 8.280 nan 0.000 0.518 289 L N -0.434 120.905 121.223 0.193 0.000 2.465 289 L HA 0.362 4.702 4.340 -0.000 0.000 0.257 289 L C -0.562 176.343 176.870 0.059 0.000 0.988 289 L CA -1.379 53.529 54.840 0.113 0.000 0.827 289 L CB 1.996 44.120 42.059 0.107 0.000 1.397 289 L HN -0.332 nan 8.230 nan 0.000 0.410 290 K N 1.274 121.693 120.400 0.032 0.000 2.168 290 K HA 0.269 4.589 4.320 -0.000 0.000 0.258 290 K C -1.724 174.887 176.600 0.018 0.000 1.010 290 K CA -1.661 54.633 56.287 0.012 0.000 0.929 290 K CB 0.809 33.307 32.500 -0.002 0.000 0.998 290 K HN 0.227 nan 8.250 nan 0.000 0.479 291 P HA -0.096 nan 4.420 nan 0.000 0.219 291 P C 0.902 178.210 177.300 0.013 0.000 1.146 291 P CA 1.065 64.172 63.100 0.012 0.000 0.808 291 P CB 0.185 31.887 31.700 0.005 0.000 0.779 292 G N -1.678 107.128 108.800 0.010 0.000 3.088 292 G HA2 0.022 3.982 3.960 -0.000 0.000 0.212 292 G HA3 0.022 3.982 3.960 -0.000 0.000 0.212 292 G C 0.054 174.968 174.900 0.023 0.000 1.173 292 G CA 0.171 45.278 45.100 0.011 0.000 0.779 292 G HN 0.198 nan 8.290 nan 0.000 0.540 293 T N 0.463 115.036 114.554 0.031 0.000 2.770 293 T HA 0.473 4.823 4.350 -0.000 0.000 0.283 293 T C -0.259 174.466 174.700 0.042 0.000 0.988 293 T CA -0.602 61.526 62.100 0.046 0.000 0.957 293 T CB 2.234 71.135 68.868 0.056 0.000 0.930 293 T HN 0.207 nan 8.240 nan 0.000 0.443 294 R N 3.457 123.981 120.500 0.040 0.000 2.407 294 R HA 0.681 5.021 4.340 -0.000 0.000 0.303 294 R C -1.236 175.082 176.300 0.029 0.000 0.981 294 R CA -0.729 55.388 56.100 0.029 0.000 0.905 294 R CB 0.859 31.173 30.300 0.023 0.000 1.099 294 R HN 0.585 nan 8.270 nan 0.000 0.459 295 L N 5.549 126.782 121.223 0.016 0.000 2.346 295 L HA 0.587 4.927 4.340 -0.000 0.000 0.276 295 L C -1.318 175.544 176.870 -0.014 0.000 1.006 295 L CA -0.673 54.170 54.840 0.007 0.000 0.817 295 L CB 1.589 43.647 42.059 -0.003 0.000 1.272 295 L HN 0.651 nan 8.230 nan 0.000 0.421 296 I N 3.742 124.304 120.570 -0.013 0.000 2.478 296 I HA 0.320 4.490 4.170 -0.000 0.000 0.287 296 I C -0.551 175.547 176.117 -0.031 0.000 1.042 296 I CA -0.332 60.955 61.300 -0.022 0.000 1.067 296 I CB 2.038 40.033 38.000 -0.008 0.000 1.233 296 I HN 0.517 nan 8.210 nan 0.000 0.431 297 S N 5.673 121.342 115.700 -0.051 0.000 2.451 297 S HA 0.667 5.137 4.470 -0.000 0.000 0.301 297 S C -0.706 173.869 174.600 -0.042 0.000 1.116 297 S CA -0.472 57.692 58.200 -0.060 0.000 1.093 297 S CB 1.241 64.377 63.200 -0.107 0.000 1.017 297 S HN 0.329 nan 8.310 nan 0.000 0.482 298 V N 4.579 124.477 119.914 -0.028 0.000 2.370 298 V HA 0.657 4.777 4.120 -0.000 0.000 0.283 298 V C 0.362 176.443 176.094 -0.022 0.000 1.023 298 V CA -0.485 61.802 62.300 -0.021 0.000 0.857 298 V CB 1.162 32.980 31.823 -0.009 0.000 0.985 298 V HN 0.946 nan 8.190 nan 0.000 0.443 299 T N 3.008 117.544 114.554 -0.030 0.000 2.909 299 T HA 0.252 4.602 4.350 -0.000 0.000 0.299 299 T C 0.763 175.436 174.700 -0.046 0.000 1.073 299 T CA -0.073 62.009 62.100 -0.030 0.000 0.999 299 T CB 1.432 70.280 68.868 -0.034 0.000 1.098 299 T HN 0.870 nan 8.240 nan 0.000 0.477 300 C N 1.600 120.859 119.300 -0.069 0.000 2.626 300 C HA 0.453 4.913 4.460 -0.000 0.000 0.266 300 C C 0.481 175.381 174.990 -0.150 0.000 1.317 300 C CA -0.393 58.558 59.018 -0.112 0.000 1.716 300 C CB -1.350 26.299 27.740 -0.152 0.000 1.819 300 C HN 0.753 nan 8.230 nan 0.000 0.578 301 D N 1.203 121.531 120.400 -0.120 0.000 2.440 301 D HA 0.365 5.005 4.640 -0.000 0.000 0.239 301 D C -1.845 174.429 176.300 -0.044 0.000 1.084 301 D CA -1.993 51.944 54.000 -0.106 0.000 0.843 301 D CB 1.935 42.696 40.800 -0.065 0.000 1.097 301 D HN -0.062 nan 8.370 nan 0.000 0.531 302 P HA -0.085 nan 4.420 nan 0.000 0.217 302 P C 1.702 179.005 177.300 0.005 0.000 1.148 302 P CA 0.780 63.872 63.100 -0.014 0.000 0.828 302 P CB 0.387 32.084 31.700 -0.005 0.000 0.783 303 L N -0.687 120.552 121.223 0.026 0.000 2.131 303 L HA -0.169 4.171 4.340 -0.000 0.000 0.210 303 L C 2.360 179.250 176.870 0.033 0.000 1.092 303 L CA 1.507 56.380 54.840 0.054 0.000 0.759 303 L CB -0.753 41.374 42.059 0.115 0.000 0.903 303 L HN 0.052 nan 8.230 nan 0.000 0.435 304 E N 0.081 120.291 120.200 0.016 0.000 2.046 304 E HA -0.163 4.187 4.350 -0.000 0.000 0.190 304 E C 2.344 178.918 176.600 -0.044 0.000 0.982 304 E CA 1.025 57.417 56.400 -0.012 0.000 0.800 304 E CB -0.148 29.547 29.700 -0.009 0.000 0.756 304 E HN 0.469 nan 8.360 nan 0.000 0.449 305 A N 1.472 124.268 122.820 -0.040 0.000 1.933 305 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 305 A C 2.343 179.898 177.584 -0.048 0.000 1.175 305 A CA 1.709 53.715 52.037 -0.052 0.000 0.628 305 A CB -0.530 18.445 19.000 -0.041 0.000 0.814 305 A HN 0.289 nan 8.150 nan 0.000 0.444 306 A N 0.547 123.350 122.820 -0.028 0.000 1.897 306 A HA -0.105 4.215 4.320 -0.000 0.000 0.215 306 A C 2.190 179.756 177.584 -0.029 0.000 1.181 306 A CA 1.476 53.501 52.037 -0.020 0.000 0.620 306 A CB -0.392 18.608 19.000 -0.000 0.000 0.821 306 A HN 0.696 nan 8.150 nan 0.000 0.443 307 R N -0.500 119.982 120.500 -0.030 0.000 2.276 307 R HA 0.428 4.768 4.340 -0.000 0.000 0.196 307 R C 0.793 177.044 176.300 -0.081 0.000 0.961 307 R CA 0.590 56.669 56.100 -0.035 0.000 1.024 307 R CB -0.491 29.806 30.300 -0.005 0.000 0.940 307 R HN 0.262 nan 8.270 nan 0.000 0.480 308 A N 3.038 125.787 122.820 -0.118 0.000 2.566 308 A HA 0.144 4.464 4.320 -0.000 0.000 0.245 308 A C -1.593 175.868 177.584 -0.205 0.000 1.056 308 A CA -1.065 50.857 52.037 -0.192 0.000 0.757 308 A CB 0.173 19.049 19.000 -0.207 0.000 0.979 308 A HN 0.271 nan 8.150 nan 0.000 0.508 309 P HA 0.061 nan 4.420 nan 0.000 0.245 309 P C -0.127 177.000 177.300 -0.289 0.000 1.212 309 P CA 0.748 63.618 63.100 -0.383 0.000 0.774 309 P CB -0.022 31.136 31.700 -0.903 0.000 0.999 310 M N -2.889 116.570 119.600 -0.236 0.000 2.644 310 M HA 0.650 5.130 4.480 -0.000 0.000 0.273 310 M C -0.430 175.802 176.300 -0.114 0.000 1.253 310 M CA -0.366 54.859 55.300 -0.124 0.000 0.852 310 M CB 1.203 33.764 32.600 -0.066 0.000 1.708 310 M HN 0.043 nan 8.290 nan 0.000 0.471 311 G N 1.684 110.445 108.800 -0.066 0.000 2.746 311 G HA2 -0.031 3.929 3.960 -0.000 0.000 0.685 311 G HA3 -0.031 3.929 3.960 -0.000 0.000 0.685 311 G C -1.508 173.359 174.900 -0.056 0.000 1.350 311 G CA -0.384 44.681 45.100 -0.058 0.000 0.837 311 G HN 0.979 nan 8.290 nan 0.000 0.564 312 D N 0.102 120.477 120.400 -0.042 0.000 2.354 312 D HA 0.725 5.365 4.640 -0.000 0.000 0.247 312 D C 0.736 177.007 176.300 -0.048 0.000 1.138 312 D CA 1.120 55.098 54.000 -0.037 0.000 0.958 312 D CB 1.561 42.347 40.800 -0.023 0.000 1.144 312 D HN 1.246 nan 8.370 nan 0.000 0.458 313 A N 0.776 123.571 122.820 -0.043 0.000 2.539 313 A HA 0.732 5.052 4.320 -0.000 0.000 0.296 313 A C -1.122 176.442 177.584 -0.033 0.000 1.073 313 A CA -0.608 51.402 52.037 -0.046 0.000 0.700 313 A CB 1.108 20.074 19.000 -0.057 0.000 1.296 313 A HN 0.454 nan 8.150 nan 0.000 0.405 314 I N 1.305 121.856 120.570 -0.032 0.000 2.447 314 I HA 0.370 4.540 4.170 -0.000 0.000 0.287 314 I C -0.854 175.246 176.117 -0.029 0.000 1.023 314 I CA -0.837 60.447 61.300 -0.026 0.000 1.083 314 I CB 2.210 40.198 38.000 -0.020 0.000 1.245 314 I HN 0.310 nan 8.210 nan 0.000 0.434 315 V N 5.937 125.834 119.914 -0.029 0.000 2.348 315 V HA 0.843 4.963 4.120 -0.000 0.000 0.270 315 V C 0.316 176.391 176.094 -0.032 0.000 1.037 315 V CA -0.049 62.231 62.300 -0.034 0.000 0.872 315 V CB 0.554 32.357 31.823 -0.034 0.000 1.002 315 V HN 0.888 nan 8.190 nan 0.000 0.464 316 A N 3.721 126.520 122.820 -0.035 0.000 2.564 316 A HA 0.609 4.929 4.320 -0.000 0.000 0.291 316 A C -1.167 176.396 177.584 -0.034 0.000 1.102 316 A CA -0.780 51.239 52.037 -0.031 0.000 0.660 316 A CB 1.061 20.048 19.000 -0.022 0.000 1.283 316 A HN 0.710 nan 8.150 nan 0.000 0.430 317 D N 0.139 120.522 120.400 -0.028 0.000 2.390 317 D HA 0.334 4.974 4.640 -0.000 0.000 0.249 317 D C 1.051 177.341 176.300 -0.016 0.000 1.144 317 D CA -0.399 53.585 54.000 -0.026 0.000 0.880 317 D CB 0.375 41.163 40.800 -0.020 0.000 1.182 317 D HN 0.275 nan 8.370 nan 0.000 0.451 318 I N 3.717 124.279 120.570 -0.013 0.000 2.252 318 I HA -0.038 4.132 4.170 -0.000 0.000 0.245 318 I C 2.321 178.442 176.117 0.007 0.000 1.102 318 I CA 1.044 62.344 61.300 0.000 0.000 1.385 318 I CB -1.619 36.387 38.000 0.009 0.000 1.064 318 I HN 0.690 nan 8.210 nan 0.000 0.414 319 G N 0.861 109.665 108.800 0.006 0.000 2.446 319 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.217 319 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.217 319 G C 1.866 176.769 174.900 0.005 0.000 1.168 319 G CA 1.131 46.236 45.100 0.008 0.000 0.771 319 G HN 0.480 nan 8.290 nan 0.000 0.551 320 A N 0.288 123.108 122.820 0.001 0.000 1.902 320 A HA 0.035 4.355 4.320 -0.000 0.000 0.217 320 A C 2.454 180.038 177.584 0.000 0.000 1.181 320 A CA 1.992 54.028 52.037 -0.001 0.000 0.623 320 A CB -0.327 18.670 19.000 -0.005 0.000 0.818 320 A HN 0.304 nan 8.150 nan 0.000 0.443 321 M N -0.537 119.063 119.600 0.000 0.000 2.132 321 M HA -0.067 4.413 4.480 -0.000 0.000 0.263 321 M C 2.547 178.851 176.300 0.008 0.000 1.065 321 M CA 1.538 56.839 55.300 0.002 0.000 1.122 321 M CB -1.444 31.155 32.600 -0.001 0.000 1.365 321 M HN 0.487 nan 8.290 nan 0.000 0.411 322 A N -0.589 122.238 122.820 0.012 0.000 1.902 322 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 322 A C 2.486 180.080 177.584 0.015 0.000 1.181 322 A CA 2.308 54.356 52.037 0.018 0.000 0.623 322 A CB -0.935 18.080 19.000 0.025 0.000 0.818 322 A HN 0.495 nan 8.150 nan 0.000 0.443 323 S N -0.539 115.167 115.700 0.011 0.000 2.368 323 S HA -0.024 4.446 4.470 -0.000 0.000 0.225 323 S C 2.198 176.802 174.600 0.008 0.000 1.030 323 S CA 1.571 59.776 58.200 0.008 0.000 0.999 323 S CB -0.499 62.704 63.200 0.005 0.000 0.844 323 S HN 0.814 nan 8.310 nan 0.000 0.459 324 A N 1.609 124.433 122.820 0.006 0.000 1.858 324 A HA 0.027 4.347 4.320 -0.000 0.000 0.216 324 A C 2.245 179.833 177.584 0.008 0.000 1.190 324 A CA 1.561 53.601 52.037 0.005 0.000 0.617 324 A CB -0.954 18.048 19.000 0.003 0.000 0.827 324 A HN 0.569 nan 8.150 nan 0.000 0.443 325 L N -0.778 120.451 121.223 0.010 0.000 2.012 325 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 325 L C 3.125 180.005 176.870 0.016 0.000 1.073 325 L CA 1.175 56.022 54.840 0.013 0.000 0.748 325 L CB -0.613 41.455 42.059 0.014 0.000 0.891 325 L HN 0.455 nan 8.230 nan 0.000 0.431 326 A N -0.001 122.829 122.820 0.017 0.000 1.940 326 A HA -0.200 4.120 4.320 -0.000 0.000 0.219 326 A C 1.984 179.578 177.584 0.016 0.000 1.176 326 A CA 1.848 53.897 52.037 0.020 0.000 0.631 326 A CB -0.510 18.502 19.000 0.019 0.000 0.814 326 A HN 0.494 nan 8.150 nan 0.000 0.446 327 N N -0.703 118.004 118.700 0.012 0.000 2.422 327 N HA 0.105 4.845 4.740 -0.000 0.000 0.181 327 N C 1.343 176.859 175.510 0.010 0.000 1.080 327 N CA 0.631 53.687 53.050 0.010 0.000 0.893 327 N CB 0.138 38.629 38.487 0.007 0.000 0.973 327 N HN 0.477 nan 8.380 nan 0.000 0.456 328 L N 0.658 121.887 121.223 0.010 0.000 2.357 328 L HA 0.123 4.463 4.340 -0.000 0.000 0.211 328 L C 0.817 177.693 176.870 0.012 0.000 1.075 328 L CA 0.015 54.861 54.840 0.010 0.000 0.830 328 L CB 0.009 42.073 42.059 0.008 0.000 0.996 328 L HN -0.103 nan 8.230 nan 0.000 0.467 329 V N -1.300 118.622 119.914 0.014 0.000 2.843 329 V HA 0.093 4.213 4.120 -0.000 0.000 0.305 329 V C 0.276 176.380 176.094 0.017 0.000 1.065 329 V CA -0.870 61.440 62.300 0.016 0.000 1.116 329 V CB 0.340 32.175 31.823 0.020 0.000 0.968 329 V HN 0.163 nan 8.190 nan 0.000 0.487 330 E N 1.352 121.562 120.200 0.017 0.000 2.392 330 E HA 0.216 4.566 4.350 -0.000 0.000 0.259 330 E C -0.255 176.357 176.600 0.020 0.000 1.108 330 E CA -0.359 56.050 56.400 0.017 0.000 0.916 330 E CB 0.710 30.419 29.700 0.015 0.000 0.989 330 E HN 0.897 nan 8.360 nan 0.000 0.432 331 E N 1.435 121.647 120.200 0.019 0.000 2.217 331 E HA 0.027 4.377 4.350 -0.000 0.000 0.279 331 E C -0.730 175.883 176.600 0.021 0.000 1.068 331 E CA -0.041 56.372 56.400 0.022 0.000 0.882 331 E CB 0.660 30.372 29.700 0.020 0.000 1.039 331 E HN 0.302 nan 8.360 nan 0.000 0.418 332 S N 2.997 118.712 115.700 0.025 0.000 2.576 332 S HA 0.077 4.547 4.470 -0.000 0.000 0.276 332 S C 0.811 175.424 174.600 0.022 0.000 1.339 332 S CA 0.062 58.276 58.200 0.024 0.000 1.039 332 S CB 0.535 63.752 63.200 0.029 0.000 0.902 332 S HN 0.612 nan 8.310 nan 0.000 0.516 333 S N 3.669 119.380 115.700 0.019 0.000 2.605 333 S HA 0.243 4.713 4.470 -0.000 0.000 0.217 333 S C 0.678 175.289 174.600 0.017 0.000 0.958 333 S CA -0.421 57.789 58.200 0.017 0.000 0.919 333 S CB -0.110 63.098 63.200 0.013 0.000 0.780 333 S HN 0.664 nan 8.310 nan 0.000 0.507 334 R N 1.192 121.705 120.500 0.021 0.000 2.738 334 R HA 0.289 4.629 4.340 -0.000 0.000 0.275 334 R C 0.158 176.471 176.300 0.022 0.000 1.121 334 R CA -0.239 55.874 56.100 0.022 0.000 1.207 334 R CB 0.282 30.599 30.300 0.028 0.000 1.141 334 R HN 0.376 nan 8.270 nan 0.000 0.571 335 Q N 1.044 120.857 119.800 0.021 0.000 2.288 335 Q HA 0.121 4.461 4.340 -0.000 0.000 0.254 335 Q C -0.615 175.399 176.000 0.023 0.000 0.932 335 Q CA -0.505 55.309 55.803 0.018 0.000 0.902 335 Q CB 1.183 29.929 28.738 0.013 0.000 1.203 335 Q HN 0.239 nan 8.270 nan 0.000 0.415 336 L N 5.577 126.813 121.223 0.022 0.000 2.490 336 L HA 0.137 4.477 4.340 -0.000 0.000 0.274 336 L C -2.177 174.704 176.870 0.019 0.000 1.201 336 L CA -0.806 54.051 54.840 0.029 0.000 0.869 336 L CB 0.226 42.300 42.059 0.025 0.000 1.123 336 L HN 0.476 nan 8.230 nan 0.000 0.484 337 P HA 0.043 nan 4.420 nan 0.000 0.266 337 P C -0.966 176.332 177.300 -0.003 0.000 1.193 337 P CA 0.025 63.128 63.100 0.005 0.000 0.770 337 P CB 0.197 31.891 31.700 -0.009 0.000 0.836 338 T N 1.711 116.258 114.554 -0.011 0.000 2.884 338 T HA 0.406 4.756 4.350 -0.000 0.000 0.298 338 T C 0.461 175.150 174.700 -0.018 0.000 0.998 338 T CA -0.350 61.741 62.100 -0.015 0.000 1.124 338 T CB 0.525 69.385 68.868 -0.013 0.000 0.931 338 T HN 0.456 nan 8.240 nan 0.000 0.531 339 A N 2.550 125.361 122.820 -0.016 0.000 2.483 339 A HA 0.569 4.889 4.320 -0.000 0.000 0.238 339 A C 0.894 178.475 177.584 -0.006 0.000 1.070 339 A CA -0.533 51.502 52.037 -0.004 0.000 0.770 339 A CB -0.272 18.725 19.000 -0.005 0.000 1.008 339 A HN 1.125 nan 8.150 nan 0.000 0.497 340 A N 3.706 126.526 122.820 -0.001 0.000 2.531 340 A HA 0.486 4.806 4.320 -0.000 0.000 0.236 340 A C -1.500 176.087 177.584 0.005 0.000 1.062 340 A CA -0.668 51.364 52.037 -0.008 0.000 0.760 340 A CB -0.722 18.273 19.000 -0.008 0.000 0.995 340 A HN 0.756 nan 8.150 nan 0.000 0.501 341 P HA 0.164 nan 4.420 nan 0.000 0.272 341 P C -0.318 176.989 177.300 0.011 0.000 1.240 341 P CA -0.416 62.687 63.100 0.005 0.000 0.791 341 P CB 0.426 32.127 31.700 0.001 0.000 0.978 342 E N 1.287 121.495 120.200 0.012 0.000 2.413 342 E HA 0.116 4.466 4.350 -0.000 0.000 0.263 342 E C -1.790 174.819 176.600 0.016 0.000 1.015 342 E CA -0.976 55.433 56.400 0.016 0.000 0.916 342 E CB -0.637 29.072 29.700 0.014 0.000 0.947 342 E HN 0.349 nan 8.360 nan 0.000 0.440 343 P HA 0.061 nan 4.420 nan 0.000 0.269 343 P C -0.778 176.532 177.300 0.017 0.000 1.215 343 P CA -0.083 63.028 63.100 0.019 0.000 0.780 343 P CB 0.549 32.264 31.700 0.026 0.000 0.898 344 A N 2.224 125.052 122.820 0.012 0.000 2.386 344 A HA 0.208 4.528 4.320 -0.000 0.000 0.248 344 A C 0.330 177.920 177.584 0.010 0.000 1.082 344 A CA -0.313 51.729 52.037 0.008 0.000 0.789 344 A CB -0.062 18.939 19.000 0.003 0.000 1.025 344 A HN 0.547 nan 8.150 nan 0.000 0.490 345 K N 1.537 121.941 120.400 0.007 0.000 2.312 345 K HA 0.408 4.728 4.320 -0.000 0.000 0.287 345 K C -0.120 176.473 176.600 -0.011 0.000 1.062 345 K CA -0.475 55.816 56.287 0.006 0.000 0.934 345 K CB 0.455 32.961 32.500 0.010 0.000 1.027 345 K HN 0.668 nan 8.250 nan 0.000 0.478 346 V N 1.314 121.212 119.914 -0.026 0.000 2.732 346 V HA 0.202 4.322 4.120 -0.000 0.000 0.297 346 V C -0.196 175.848 176.094 -0.083 0.000 1.060 346 V CA -0.801 61.451 62.300 -0.080 0.000 1.038 346 V CB 0.997 32.730 31.823 -0.150 0.000 1.003 346 V HN 0.702 nan 8.190 nan 0.000 0.481 347 D N 2.918 123.260 120.400 -0.097 0.000 2.455 347 D HA 0.333 4.973 4.640 -0.000 0.000 0.241 347 D C -0.130 176.154 176.300 -0.027 0.000 1.138 347 D CA 0.748 54.719 54.000 -0.048 0.000 0.877 347 D CB 1.062 41.844 40.800 -0.031 0.000 1.187 347 D HN 0.825 nan 8.370 nan 0.000 0.451 348 Q N 1.943 121.777 119.800 0.058 0.000 2.269 348 Q HA 0.232 4.572 4.340 -0.000 0.000 0.263 348 Q C -1.438 174.622 176.000 0.100 0.000 0.983 348 Q CA -0.776 55.116 55.803 0.148 0.000 0.777 348 Q CB 1.190 30.008 28.738 0.134 0.000 1.273 348 Q HN 0.371 nan 8.270 nan 0.000 0.440 349 D N 2.108 122.571 120.400 0.106 0.000 2.469 349 D HA 0.364 5.004 4.640 -0.000 0.000 0.278 349 D C 0.125 176.451 176.300 0.042 0.000 1.231 349 D CA -0.106 53.931 54.000 0.061 0.000 1.075 349 D CB 0.413 41.246 40.800 0.055 0.000 1.121 349 D HN 0.478 nan 8.370 nan 0.000 0.571 350 A N -1.095 121.742 122.820 0.028 0.000 2.327 350 A HA 0.484 4.804 4.320 -0.000 0.000 0.228 350 A C 0.924 178.514 177.584 0.010 0.000 1.275 350 A CA 0.426 52.474 52.037 0.019 0.000 0.875 350 A CB -1.077 17.932 19.000 0.016 0.000 0.925 350 A HN 0.564 nan 8.150 nan 0.000 0.493 351 G N -0.742 108.061 108.800 0.004 0.000 3.039 351 G HA2 0.452 4.412 3.960 -0.000 0.000 0.159 351 G HA3 0.452 4.412 3.960 -0.000 0.000 0.159 351 G C -0.107 174.773 174.900 -0.032 0.000 1.284 351 G CA -1.043 44.050 45.100 -0.011 0.000 0.996 351 G HN 0.400 nan 8.290 nan 0.000 0.592 352 R N -0.239 120.229 120.500 -0.054 0.000 2.697 352 R HA 0.098 4.438 4.340 -0.000 0.000 0.265 352 R C -0.363 175.856 176.300 -0.134 0.000 1.009 352 R CA -0.310 55.742 56.100 -0.080 0.000 1.099 352 R CB 0.188 30.438 30.300 -0.083 0.000 0.965 352 R HN 0.083 nan 8.270 nan 0.000 0.428 353 L N 4.162 125.320 121.223 -0.108 0.000 2.331 353 L HA 0.125 4.465 4.340 -0.000 0.000 0.278 353 L C 0.783 177.564 176.870 -0.149 0.000 1.106 353 L CA 0.254 55.034 54.840 -0.099 0.000 0.824 353 L CB 0.442 42.464 42.059 -0.062 0.000 1.142 353 L HN 0.475 nan 8.230 nan 0.000 0.443 354 H N 5.067 124.131 119.070 -0.011 0.000 2.764 354 H HA 0.061 4.617 4.556 -0.000 0.000 0.341 354 H C -1.381 173.924 175.328 -0.038 0.000 1.072 354 H CA -1.288 54.759 56.048 -0.003 0.000 1.444 354 H CB 0.847 30.619 29.762 0.016 0.000 1.458 354 H HN 0.346 nan 8.280 nan 0.000 0.572 355 P HA -0.175 nan 4.420 nan 0.000 0.216 355 P C 1.101 178.383 177.300 -0.030 0.000 1.150 355 P CA 1.365 64.433 63.100 -0.052 0.000 0.843 355 P CB 0.399 32.161 31.700 0.104 0.000 0.787 356 E N -1.119 119.175 120.200 0.156 0.000 2.097 356 E HA -0.157 4.193 4.350 -0.000 0.000 0.196 356 E C 1.966 178.631 176.600 0.109 0.000 1.000 356 E CA 1.848 58.362 56.400 0.189 0.000 0.804 356 E CB -1.372 28.401 29.700 0.122 0.000 0.740 356 E HN 0.265 nan 8.360 nan 0.000 0.454 357 T N 0.219 114.816 114.554 0.070 0.000 2.746 357 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 357 T C 2.025 176.712 174.700 -0.022 0.000 1.039 357 T CA 1.289 63.414 62.100 0.041 0.000 1.142 357 T CB -0.346 68.561 68.868 0.065 0.000 0.866 357 T HN -0.019 nan 8.240 nan 0.000 0.444 358 V N 1.034 120.867 119.914 -0.135 0.000 2.287 358 V HA -0.158 3.962 4.120 -0.000 0.000 0.248 358 V C 2.179 178.144 176.094 -0.216 0.000 1.053 358 V CA 1.721 63.875 62.300 -0.245 0.000 1.027 358 V CB -0.892 30.666 31.823 -0.442 0.000 0.646 358 V HN 0.381 nan 8.190 nan 0.000 0.447 359 F N 0.513 120.470 119.950 0.011 0.000 2.186 359 F HA -0.089 4.438 4.527 -0.000 0.000 0.299 359 F C 2.237 178.027 175.800 -0.017 0.000 1.090 359 F CA 1.271 59.257 58.000 -0.025 0.000 1.307 359 F CB -0.876 38.096 39.000 -0.046 0.000 1.019 359 F HN 0.191 nan 8.300 nan 0.000 0.489 360 D N -0.434 120.057 120.400 0.152 0.000 2.144 360 D HA -0.116 4.523 4.640 -0.000 0.000 0.200 360 D C 2.291 178.633 176.300 0.070 0.000 0.978 360 D CA 1.689 55.747 54.000 0.095 0.000 0.833 360 D CB -0.654 40.189 40.800 0.071 0.000 0.961 360 D HN 0.172 nan 8.370 nan 0.000 0.470 361 T N 0.870 115.456 114.554 0.053 0.000 2.737 361 T HA -0.053 4.297 4.350 -0.000 0.000 0.265 361 T C 2.230 176.968 174.700 0.063 0.000 1.038 361 T CA 0.496 62.622 62.100 0.043 0.000 1.144 361 T CB -0.301 68.579 68.868 0.021 0.000 0.866 361 T HN 0.103 nan 8.240 nan 0.000 0.434 362 L N 1.430 122.703 121.223 0.084 0.000 2.012 362 L HA -0.167 4.173 4.340 -0.000 0.000 0.210 362 L C 2.751 179.712 176.870 0.151 0.000 1.073 362 L CA 1.348 56.271 54.840 0.139 0.000 0.748 362 L CB -0.643 41.537 42.059 0.201 0.000 0.891 362 L HN 0.384 nan 8.230 nan 0.000 0.431 363 N N -0.153 118.619 118.700 0.119 0.000 2.120 363 N HA -0.216 4.524 4.740 -0.000 0.000 0.188 363 N C 1.322 176.880 175.510 0.079 0.000 1.024 363 N CA 1.608 54.716 53.050 0.098 0.000 0.852 363 N CB 0.049 38.571 38.487 0.059 0.000 1.003 363 N HN 0.308 nan 8.380 nan 0.000 0.424 364 D N 0.175 120.614 120.400 0.065 0.000 2.178 364 D HA -0.082 4.558 4.640 -0.000 0.000 0.202 364 D C 1.761 178.089 176.300 0.046 0.000 0.974 364 D CA 1.054 55.083 54.000 0.048 0.000 0.841 364 D CB 0.041 40.865 40.800 0.040 0.000 0.953 364 D HN 0.446 nan 8.370 nan 0.000 0.478 365 M N -0.245 119.388 119.600 0.056 0.000 2.653 365 M HA 0.218 4.697 4.480 -0.000 0.000 0.259 365 M C 0.867 177.194 176.300 0.045 0.000 1.244 365 M CA -0.088 55.239 55.300 0.045 0.000 1.163 365 M CB 0.623 33.248 32.600 0.042 0.000 1.309 365 M HN -0.190 nan 8.290 nan 0.000 0.509 366 A N 2.443 125.306 122.820 0.070 0.000 2.386 366 A HA 0.398 4.718 4.320 -0.000 0.000 0.248 366 A C -2.107 175.493 177.584 0.027 0.000 1.082 366 A CA -1.064 51.005 52.037 0.053 0.000 0.789 366 A CB -0.740 18.327 19.000 0.111 0.000 1.025 366 A HN 0.120 nan 8.150 nan 0.000 0.490 367 P HA 0.091 nan 4.420 nan 0.000 0.269 367 P C 0.156 177.450 177.300 -0.010 0.000 1.215 367 P CA -0.051 63.040 63.100 -0.015 0.000 0.780 367 P CB 0.489 32.167 31.700 -0.036 0.000 0.898 368 E N 0.973 121.171 120.200 -0.004 0.000 2.333 368 E HA -0.160 4.189 4.350 -0.000 0.000 0.198 368 E C 0.808 177.400 176.600 -0.014 0.000 1.007 368 E CA 0.879 57.280 56.400 0.000 0.000 0.845 368 E CB -0.162 29.536 29.700 -0.005 0.000 0.766 368 E HN 0.510 nan 8.360 nan 0.000 0.507 369 N N 0.187 118.868 118.700 -0.032 0.000 2.321 369 N HA 0.124 4.864 4.740 -0.000 0.000 0.242 369 N C -0.244 175.216 175.510 -0.083 0.000 1.141 369 N CA -0.102 52.921 53.050 -0.045 0.000 0.864 369 N CB 0.202 38.666 38.487 -0.037 0.000 1.100 369 N HN -0.081 nan 8.380 nan 0.000 0.510 370 A N 0.741 123.482 122.820 -0.131 0.000 2.448 370 A HA 0.460 4.780 4.320 -0.000 0.000 0.239 370 A C 0.064 177.465 177.584 -0.305 0.000 1.080 370 A CA -0.068 51.805 52.037 -0.274 0.000 0.779 370 A CB 0.113 18.837 19.000 -0.459 0.000 1.026 370 A HN 0.407 nan 8.150 nan 0.000 0.499 371 I N 0.550 120.918 120.570 -0.338 0.000 2.436 371 I HA 0.332 4.502 4.170 -0.000 0.000 0.289 371 I C -1.334 174.619 176.117 -0.274 0.000 1.010 371 I CA -0.269 60.920 61.300 -0.186 0.000 1.098 371 I CB 1.515 39.506 38.000 -0.016 0.000 1.266 371 I HN 0.592 nan 8.210 nan 0.000 0.434 372 Y N 6.059 126.383 120.300 0.042 0.000 2.387 372 Y HA 0.635 5.185 4.550 -0.000 0.000 0.336 372 Y C -0.417 175.485 175.900 0.003 0.000 1.067 372 Y CA -0.745 57.373 58.100 0.030 0.000 1.114 372 Y CB 1.496 39.983 38.460 0.046 0.000 1.208 372 Y HN 0.306 nan 8.280 nan 0.000 0.458 373 L N 2.790 124.107 121.223 0.156 0.000 2.362 373 L HA 0.469 4.809 4.340 -0.000 0.000 0.271 373 L C -0.623 176.297 176.870 0.082 0.000 1.002 373 L CA -0.675 54.206 54.840 0.067 0.000 0.818 373 L CB 1.637 43.740 42.059 0.073 0.000 1.298 373 L HN 0.560 nan 8.230 nan 0.000 0.420 374 N N 1.386 120.114 118.700 0.046 0.000 2.442 374 N HA 0.316 5.056 4.740 -0.000 0.000 0.274 374 N C -0.827 174.859 175.510 0.295 0.000 1.002 374 N CA -0.224 52.945 53.050 0.198 0.000 0.910 374 N CB 1.327 39.962 38.487 0.247 0.000 1.244 374 N HN 0.695 nan 8.380 nan 0.000 0.492 375 E N 1.888 122.239 120.200 0.252 0.000 3.843 375 E HA 0.139 4.489 4.350 -0.000 0.000 0.189 375 E C -1.289 175.448 176.600 0.228 0.000 1.013 375 E CA -0.095 56.439 56.400 0.223 0.000 1.395 375 E CB 0.207 29.998 29.700 0.151 0.000 1.136 375 E HN 0.337 nan 8.360 nan 0.000 0.444 376 S N 0.316 116.178 115.700 0.270 0.000 2.475 376 S HA 0.105 4.575 4.470 -0.000 0.000 0.249 376 S C 1.145 175.906 174.600 0.268 0.000 1.298 376 S CA -0.228 58.122 58.200 0.250 0.000 1.125 376 S CB 0.442 63.800 63.200 0.263 0.000 1.054 376 S HN 0.395 nan 8.310 nan 0.000 0.484 377 T N 0.551 115.258 114.554 0.255 0.000 2.995 377 T HA -0.078 4.272 4.350 -0.000 0.000 0.269 377 T C 1.722 176.540 174.700 0.195 0.000 1.091 377 T CA 1.108 63.369 62.100 0.269 0.000 1.128 377 T CB -0.334 68.690 68.868 0.259 0.000 0.891 377 T HN 0.632 nan 8.240 nan 0.000 0.492 378 S N 1.379 117.179 115.700 0.167 0.000 2.575 378 S HA 0.053 4.523 4.470 -0.000 0.000 0.215 378 S C 1.693 176.338 174.600 0.076 0.000 0.966 378 S CA 0.356 58.611 58.200 0.090 0.000 0.911 378 S CB -0.555 62.714 63.200 0.114 0.000 0.780 378 S HN 0.695 nan 8.310 nan 0.000 0.514 379 T N -3.070 111.574 114.554 0.150 0.000 3.084 379 T HA 0.212 4.562 4.350 -0.000 0.000 0.270 379 T C 1.246 176.020 174.700 0.124 0.000 1.008 379 T CA 0.239 62.458 62.100 0.199 0.000 0.900 379 T CB -0.229 68.870 68.868 0.385 0.000 1.084 379 T HN 0.172 nan 8.240 nan 0.000 0.538 380 T N 2.216 116.824 114.554 0.090 0.000 2.720 380 T HA 0.000 4.350 4.350 -0.000 0.000 0.268 380 T C 2.373 177.107 174.700 0.058 0.000 1.037 380 T CA 1.531 63.676 62.100 0.076 0.000 1.144 380 T CB -0.630 68.281 68.868 0.072 0.000 0.864 380 T HN 0.630 nan 8.240 nan 0.000 0.444 381 A N 1.273 124.095 122.820 0.004 0.000 1.902 381 A HA -0.121 4.199 4.320 -0.000 0.000 0.217 381 A C 2.396 179.974 177.584 -0.009 0.000 1.181 381 A CA 1.122 53.153 52.037 -0.010 0.000 0.623 381 A CB -0.468 18.494 19.000 -0.062 0.000 0.818 381 A HN 0.279 nan 8.150 nan 0.000 0.443 382 Q N -1.009 118.773 119.800 -0.029 0.000 2.119 382 Q HA -0.132 4.208 4.340 -0.000 0.000 0.201 382 Q C 2.087 177.919 176.000 -0.280 0.000 0.972 382 Q CA 1.590 57.367 55.803 -0.043 0.000 0.847 382 Q CB -0.517 28.285 28.738 0.106 0.000 0.903 382 Q HN 0.807 nan 8.270 nan 0.000 0.433 383 M N -1.265 117.947 119.600 -0.646 0.000 2.080 383 M HA -0.211 4.269 4.480 -0.000 0.000 0.260 383 M C 1.547 177.515 176.300 -0.552 0.000 1.068 383 M CA 1.707 56.329 55.300 -1.130 0.000 1.109 383 M CB -0.215 31.758 32.600 -1.045 0.000 1.342 383 M HN 0.211 nan 8.290 nan 0.000 0.405 384 W N 0.604 121.681 121.300 -0.372 0.000 2.374 384 W HA -0.163 4.497 4.660 -0.000 0.000 0.288 384 W C 2.366 178.790 176.519 -0.158 0.000 1.218 384 W CA 1.269 58.454 57.345 -0.266 0.000 1.245 384 W CB -0.166 29.157 29.460 -0.228 0.000 1.126 384 W HN 0.357 nan 8.180 nan 0.000 0.545 385 Q N -0.632 119.208 119.800 0.066 0.000 2.172 385 Q HA -0.070 4.270 4.340 -0.000 0.000 0.200 385 Q C 1.891 177.897 176.000 0.010 0.000 0.964 385 Q CA 1.041 56.874 55.803 0.049 0.000 0.855 385 Q CB -0.116 28.638 28.738 0.026 0.000 0.918 385 Q HN 0.294 nan 8.270 nan 0.000 0.444 386 R N -0.619 119.846 120.500 -0.059 0.000 2.365 386 R HA 0.247 4.587 4.340 -0.000 0.000 0.223 386 R C -0.165 176.098 176.300 -0.063 0.000 0.899 386 R CA -0.054 56.028 56.100 -0.029 0.000 1.059 386 R CB 0.736 31.058 30.300 0.036 0.000 1.086 386 R HN 0.073 nan 8.270 nan 0.000 0.522 387 L N 1.551 122.675 121.223 -0.164 0.000 2.287 387 L HA 0.287 4.627 4.340 -0.000 0.000 0.287 387 L C -0.372 176.423 176.870 -0.125 0.000 1.022 387 L CA -0.506 54.213 54.840 -0.202 0.000 0.814 387 L CB 1.541 43.316 42.059 -0.472 0.000 1.217 387 L HN 0.091 nan 8.230 nan 0.000 0.420 388 N N 4.839 123.510 118.700 -0.049 0.000 2.415 388 N HA 0.261 5.001 4.740 -0.000 0.000 0.250 388 N C -0.733 174.765 175.510 -0.020 0.000 1.127 388 N CA -0.330 52.703 53.050 -0.029 0.000 0.945 388 N CB 0.474 38.960 38.487 -0.002 0.000 1.196 388 N HN 0.550 nan 8.380 nan 0.000 0.499 389 M N 3.580 123.139 119.600 -0.069 0.000 2.060 389 M HA 0.227 4.707 4.480 -0.000 0.000 0.342 389 M C 0.810 177.054 176.300 -0.093 0.000 1.031 389 M CA -0.410 54.856 55.300 -0.056 0.000 0.981 389 M CB 1.432 33.973 32.600 -0.099 0.000 1.376 389 M HN 0.455 nan 8.290 nan 0.000 0.397 390 R N 0.424 120.884 120.500 -0.066 0.000 2.200 390 R HA 0.127 4.467 4.340 -0.000 0.000 0.208 390 R C 0.290 176.530 176.300 -0.100 0.000 1.033 390 R CA 0.693 56.740 56.100 -0.087 0.000 1.000 390 R CB 0.224 30.489 30.300 -0.058 0.000 0.906 390 R HN 0.596 nan 8.270 nan 0.000 0.462 391 N N 0.633 119.288 118.700 -0.075 0.000 2.432 391 N HA 0.325 5.065 4.740 -0.000 0.000 0.292 391 N C -2.665 172.810 175.510 -0.059 0.000 1.193 391 N CA -1.729 51.282 53.050 -0.065 0.000 0.878 391 N CB 1.287 39.748 38.487 -0.043 0.000 1.252 391 N HN -0.232 nan 8.380 nan 0.000 0.520 392 P HA 0.135 nan 4.420 nan 0.000 0.272 392 P C 0.494 177.787 177.300 -0.011 0.000 1.240 392 P CA 0.240 63.323 63.100 -0.029 0.000 0.791 392 P CB 0.260 31.950 31.700 -0.016 0.000 0.978 393 G N 0.323 109.120 108.800 -0.006 0.000 2.273 393 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.280 393 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.280 393 G C 0.656 175.559 174.900 0.005 0.000 1.047 393 G CA 0.479 45.594 45.100 0.026 0.000 0.869 393 G HN 0.445 nan 8.290 nan 0.000 0.502 394 S N -1.601 114.064 115.700 -0.059 0.000 2.539 394 S HA 0.381 4.851 4.470 -0.000 0.000 0.221 394 S C -0.012 174.616 174.600 0.048 0.000 0.987 394 S CA 0.280 58.480 58.200 0.001 0.000 0.929 394 S CB 0.515 63.722 63.200 0.012 0.000 0.832 394 S HN 0.770 nan 8.310 nan 0.000 0.492 395 Y N 0.670 120.774 120.300 -0.326 0.000 2.479 395 Y HA 0.553 5.103 4.550 -0.000 0.000 0.338 395 Y C -2.149 173.425 175.900 -0.543 0.000 1.055 395 Y CA -1.277 56.654 58.100 -0.281 0.000 1.023 395 Y CB 1.041 39.318 38.460 -0.305 0.000 1.287 395 Y HN 0.041 nan 8.280 nan 0.000 0.447 396 Y N 6.317 126.421 120.300 -0.326 0.000 2.457 396 Y HA 0.598 5.148 4.550 -0.000 0.000 0.343 396 Y C -1.435 174.369 175.900 -0.160 0.000 0.994 396 Y CA -1.214 56.835 58.100 -0.085 0.000 1.031 396 Y CB 2.199 40.767 38.460 0.180 0.000 1.246 396 Y HN 0.592 nan 8.280 nan 0.000 0.449 397 F N 2.544 122.504 119.950 0.016 0.000 2.581 397 F HA 0.552 5.079 4.527 -0.000 0.000 0.311 397 F C -0.420 175.309 175.800 -0.119 0.000 1.113 397 F CA -1.753 56.260 58.000 0.021 0.000 0.935 397 F CB 0.951 40.024 39.000 0.122 0.000 1.232 397 F HN 0.749 nan 8.300 nan 0.000 0.445 398 C N 4.265 123.020 119.300 -0.908 0.000 2.409 398 C HA 0.411 4.871 4.460 -0.000 0.000 0.399 398 C C 1.579 176.156 174.990 -0.688 0.000 1.505 398 C CA 0.030 58.451 59.018 -0.996 0.000 1.435 398 C CB -1.228 26.088 27.740 -0.705 0.000 2.462 398 C HN 1.031 nan 8.230 nan 0.000 0.619 399 A N 3.348 125.873 122.820 -0.492 0.000 2.015 399 A HA 0.276 4.596 4.320 -0.000 0.000 0.219 399 A C 2.221 179.734 177.584 -0.118 0.000 1.163 399 A CA 1.559 53.484 52.037 -0.185 0.000 0.646 399 A CB -0.407 18.489 19.000 -0.173 0.000 0.806 399 A HN 1.602 nan 8.150 nan 0.000 0.448 400 A N -2.076 120.641 122.820 -0.173 0.000 2.387 400 A HA 0.463 4.783 4.320 -0.000 0.000 0.234 400 A C 1.590 179.086 177.584 -0.147 0.000 1.253 400 A CA 0.968 52.940 52.037 -0.109 0.000 0.894 400 A CB -0.692 18.266 19.000 -0.070 0.000 0.963 400 A HN 1.775 nan 8.150 nan 0.000 0.508 401 G N -1.084 107.581 108.800 -0.224 0.000 2.155 401 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.257 401 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.257 401 G C 0.641 175.401 174.900 -0.233 0.000 0.983 401 G CA 0.233 45.195 45.100 -0.230 0.000 0.676 401 G HN 1.450 nan 8.290 nan 0.000 0.528 402 G N 0.133 108.792 108.800 -0.237 0.000 2.338 402 G HA2 0.604 4.564 3.960 -0.000 0.000 0.295 402 G HA3 0.604 4.564 3.960 -0.000 0.000 0.295 402 G C 0.485 175.240 174.900 -0.242 0.000 1.132 402 G CA -0.622 44.349 45.100 -0.215 0.000 0.922 402 G HN 0.583 nan 8.290 nan 0.000 0.427 403 L N 1.739 122.743 121.223 -0.365 0.000 2.464 403 L HA 0.461 4.801 4.340 -0.000 0.000 0.264 403 L C 1.549 178.223 176.870 -0.326 0.000 1.199 403 L CA 0.671 55.262 54.840 -0.417 0.000 0.818 403 L CB 0.863 42.496 42.059 -0.711 0.000 1.102 403 L HN 0.827 nan 8.230 nan 0.000 0.473 404 G N 1.010 109.763 108.800 -0.078 0.000 2.159 404 G HA2 -0.318 3.642 3.960 -0.000 0.000 0.227 404 G HA3 -0.318 3.642 3.960 -0.000 0.000 0.227 404 G C 0.254 175.210 174.900 0.094 0.000 0.986 404 G CA 0.363 45.512 45.100 0.081 0.000 0.651 404 G HN 0.646 nan 8.290 nan 0.000 0.523 405 F N 1.569 121.482 119.950 -0.062 0.000 2.188 405 F HA 0.504 5.031 4.527 -0.000 0.000 0.289 405 F C 2.474 178.260 175.800 -0.023 0.000 1.082 405 F CA 2.037 60.001 58.000 -0.061 0.000 1.282 405 F CB -0.426 38.506 39.000 -0.114 0.000 1.060 405 F HN 0.228 nan 8.300 nan 0.000 0.493 406 A N 0.714 123.491 122.820 -0.071 0.000 1.969 406 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 406 A C 2.255 179.766 177.584 -0.121 0.000 1.169 406 A CA 1.485 53.411 52.037 -0.185 0.000 0.635 406 A CB -1.156 17.891 19.000 0.077 0.000 0.810 406 A HN 0.577 nan 8.150 nan 0.000 0.445 407 L N 0.211 121.437 121.223 0.006 0.000 1.988 407 L HA -0.055 4.285 4.340 -0.000 0.000 0.207 407 L C -0.445 176.477 176.870 0.086 0.000 1.071 407 L CA 1.702 56.619 54.840 0.128 0.000 0.744 407 L CB -0.710 41.398 42.059 0.083 0.000 0.893 407 L HN 0.235 nan 8.230 nan 0.000 0.433 408 P HA -0.171 nan 4.420 nan 0.000 0.216 408 P C 1.310 178.504 177.300 -0.178 0.000 1.153 408 P CA 2.051 65.110 63.100 -0.069 0.000 0.848 408 P CB -0.127 31.525 31.700 -0.080 0.000 0.787 409 A N 0.660 123.236 122.820 -0.407 0.000 1.940 409 A HA -0.090 4.230 4.320 -0.000 0.000 0.219 409 A C 2.498 179.867 177.584 -0.359 0.000 1.176 409 A CA 2.192 53.889 52.037 -0.567 0.000 0.631 409 A CB -1.557 16.626 19.000 -1.362 0.000 0.814 409 A HN 0.233 nan 8.150 nan 0.000 0.446 410 A N -0.034 122.638 122.820 -0.247 0.000 1.972 410 A HA -0.095 4.225 4.320 -0.000 0.000 0.219 410 A C 2.079 179.594 177.584 -0.116 0.000 1.169 410 A CA 1.532 53.471 52.037 -0.164 0.000 0.635 410 A CB -0.588 18.332 19.000 -0.133 0.000 0.810 410 A HN 0.534 nan 8.150 nan 0.000 0.446 411 I N -0.563 119.989 120.570 -0.031 0.000 2.252 411 I HA -0.163 4.007 4.170 -0.000 0.000 0.245 411 I C 2.689 178.805 176.117 -0.002 0.000 1.102 411 I CA 1.116 62.429 61.300 0.021 0.000 1.385 411 I CB -0.634 37.425 38.000 0.098 0.000 1.064 411 I HN 0.384 nan 8.210 nan 0.000 0.414 412 G N 0.540 109.311 108.800 -0.047 0.000 2.408 412 G HA2 -0.147 3.812 3.960 -0.000 0.000 0.217 412 G HA3 -0.147 3.812 3.960 -0.000 0.000 0.217 412 G C 1.724 176.650 174.900 0.044 0.000 1.150 412 G CA 0.678 45.781 45.100 0.005 0.000 0.776 412 G HN 0.217 nan 8.290 nan 0.000 0.542 413 V N 0.641 120.495 119.914 -0.099 0.000 2.287 413 V HA -0.241 3.879 4.120 -0.000 0.000 0.248 413 V C 2.782 178.849 176.094 -0.044 0.000 1.053 413 V CA 2.312 64.537 62.300 -0.126 0.000 1.027 413 V CB -0.474 31.218 31.823 -0.219 0.000 0.646 413 V HN 0.429 nan 8.190 nan 0.000 0.447 414 Q N -0.241 119.535 119.800 -0.040 0.000 2.119 414 Q HA -0.182 4.158 4.340 -0.000 0.000 0.201 414 Q C 1.949 177.967 176.000 0.029 0.000 0.972 414 Q CA 1.693 57.481 55.803 -0.024 0.000 0.847 414 Q CB -0.537 28.169 28.738 -0.053 0.000 0.903 414 Q HN 0.537 nan 8.270 nan 0.000 0.433 415 L N -0.056 121.216 121.223 0.082 0.000 2.079 415 L HA -0.067 4.273 4.340 -0.000 0.000 0.210 415 L C 2.005 179.007 176.870 0.219 0.000 1.081 415 L CA 2.231 57.163 54.840 0.153 0.000 0.752 415 L CB -0.884 41.285 42.059 0.183 0.000 0.896 415 L HN 0.262 nan 8.230 nan 0.000 0.433 416 A N -1.775 121.157 122.820 0.188 0.000 2.016 416 A HA -0.006 4.314 4.320 -0.000 0.000 0.217 416 A C 1.115 178.683 177.584 -0.027 0.000 1.162 416 A CA 0.905 52.938 52.037 -0.006 0.000 0.662 416 A CB -0.168 18.670 19.000 -0.269 0.000 0.812 416 A HN 0.435 nan 8.150 nan 0.000 0.450 417 E N -0.413 119.782 120.200 -0.008 0.000 3.303 417 E HA 0.168 4.518 4.350 -0.000 0.000 0.215 417 E C -2.208 174.387 176.600 -0.008 0.000 1.181 417 E CA -1.563 54.828 56.400 -0.014 0.000 0.998 417 E CB 0.910 30.599 29.700 -0.019 0.000 1.312 417 E HN 0.354 nan 8.360 nan 0.000 0.412 418 P HA -0.093 nan 4.420 nan 0.000 0.225 418 P C 0.675 177.968 177.300 -0.010 0.000 1.148 418 P CA 0.919 64.020 63.100 0.001 0.000 0.779 418 P CB 0.589 32.297 31.700 0.013 0.000 0.780 419 E N -0.444 119.747 120.200 -0.014 0.000 2.474 419 E HA 0.109 4.459 4.350 -0.000 0.000 0.195 419 E C 0.507 177.090 176.600 -0.028 0.000 1.039 419 E CA 0.104 56.493 56.400 -0.018 0.000 0.881 419 E CB 0.329 30.020 29.700 -0.015 0.000 0.970 419 E HN 0.395 nan 8.360 nan 0.000 0.486 420 R N 1.133 121.613 120.500 -0.034 0.000 2.437 420 R HA 0.248 4.588 4.340 -0.000 0.000 0.310 420 R C -0.274 175.984 176.300 -0.069 0.000 0.955 420 R CA -0.787 55.283 56.100 -0.050 0.000 0.851 420 R CB 1.457 31.730 30.300 -0.045 0.000 1.161 420 R HN -0.145 nan 8.270 nan 0.000 0.446 421 Q N 2.315 122.062 119.800 -0.089 0.000 2.286 421 Q HA 0.140 4.480 4.340 -0.000 0.000 0.267 421 Q C -0.914 174.989 176.000 -0.161 0.000 1.028 421 Q CA 0.039 55.775 55.803 -0.112 0.000 0.901 421 Q CB 1.053 29.728 28.738 -0.106 0.000 1.183 421 Q HN 0.388 nan 8.270 nan 0.000 0.392 422 V N 6.793 126.614 119.914 -0.154 0.000 2.465 422 V HA 0.391 4.511 4.120 -0.000 0.000 0.279 422 V C 0.067 176.036 176.094 -0.209 0.000 1.045 422 V CA -0.369 61.824 62.300 -0.178 0.000 0.938 422 V CB 0.950 32.680 31.823 -0.156 0.000 0.986 422 V HN 0.728 nan 8.190 nan 0.000 0.467 423 I N 4.347 124.798 120.570 -0.198 0.000 2.476 423 I HA 0.574 4.744 4.170 -0.000 0.000 0.281 423 I C 0.143 176.261 176.117 0.001 0.000 1.040 423 I CA -0.478 60.753 61.300 -0.115 0.000 1.094 423 I CB 1.702 39.663 38.000 -0.064 0.000 1.219 423 I HN 0.632 nan 8.210 nan 0.000 0.450 424 A N 6.723 129.516 122.820 -0.045 0.000 2.260 424 A HA 0.652 4.972 4.320 -0.000 0.000 0.312 424 A C -0.291 177.368 177.584 0.126 0.000 1.321 424 A CA -0.427 51.638 52.037 0.045 0.000 0.928 424 A CB 0.543 19.553 19.000 0.018 0.000 1.158 424 A HN 0.461 nan 8.150 nan 0.000 0.542 425 V N 5.115 125.135 119.914 0.178 0.000 2.334 425 V HA 0.333 4.453 4.120 -0.000 0.000 0.267 425 V C -0.131 176.071 176.094 0.181 0.000 1.040 425 V CA 0.212 62.626 62.300 0.190 0.000 0.866 425 V CB -0.176 31.815 31.823 0.279 0.000 1.019 425 V HN 0.705 nan 8.190 nan 0.000 0.468 426 I N 3.573 124.225 120.570 0.137 0.000 2.498 426 I HA 0.596 4.766 4.170 -0.000 0.000 0.290 426 I C 0.907 177.069 176.117 0.076 0.000 1.032 426 I CA -0.476 60.901 61.300 0.128 0.000 1.073 426 I CB 2.083 40.162 38.000 0.132 0.000 1.251 426 I HN 0.635 nan 8.210 nan 0.000 0.426 427 G N 2.688 111.557 108.800 0.116 0.000 2.606 427 G HA2 0.095 4.055 3.960 -0.000 0.000 0.252 427 G HA3 0.095 4.055 3.960 -0.000 0.000 0.252 427 G C 0.765 175.698 174.900 0.055 0.000 1.206 427 G CA -0.257 44.901 45.100 0.098 0.000 0.861 427 G HN 0.808 nan 8.290 nan 0.000 0.561 428 D N 0.208 120.623 120.400 0.026 0.000 2.144 428 D HA -0.104 4.536 4.640 -0.000 0.000 0.199 428 D C 2.161 178.641 176.300 0.300 0.000 0.984 428 D CA 1.383 55.413 54.000 0.050 0.000 0.834 428 D CB -0.869 40.023 40.800 0.153 0.000 0.955 428 D HN 0.466 nan 8.370 nan 0.000 0.465 429 G N 0.412 109.394 108.800 0.303 0.000 2.404 429 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.215 429 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.215 429 G C 1.879 177.110 174.900 0.552 0.000 1.174 429 G CA 1.091 46.476 45.100 0.475 0.000 0.780 429 G HN 0.350 nan 8.290 nan 0.000 0.537 430 S N 1.179 117.163 115.700 0.474 0.000 2.383 430 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 430 S C 2.760 177.612 174.600 0.420 0.000 1.030 430 S CA 1.172 59.646 58.200 0.457 0.000 1.002 430 S CB -0.400 62.953 63.200 0.255 0.000 0.829 430 S HN 0.597 nan 8.310 nan 0.000 0.467 431 A N 2.714 125.712 122.820 0.297 0.000 1.986 431 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 431 A C 1.866 179.613 177.584 0.272 0.000 1.171 431 A CA 1.550 53.738 52.037 0.253 0.000 0.640 431 A CB -0.589 18.543 19.000 0.219 0.000 0.811 431 A HN 0.518 nan 8.150 nan 0.000 0.451 432 N N -1.357 117.498 118.700 0.257 0.000 2.331 432 N HA -0.122 4.618 4.740 -0.000 0.000 0.180 432 N C 1.433 176.978 175.510 0.057 0.000 1.019 432 N CA 1.330 54.445 53.050 0.108 0.000 0.881 432 N CB -0.449 38.030 38.487 -0.013 0.000 0.972 432 N HN 0.674 nan 8.380 nan 0.000 0.435 433 Y N 1.277 121.647 120.300 0.116 0.000 2.165 433 Y HA -0.041 4.509 4.550 -0.000 0.000 0.286 433 Y C 1.552 177.487 175.900 0.059 0.000 1.155 433 Y CA 0.955 59.104 58.100 0.082 0.000 1.164 433 Y CB 0.028 38.532 38.460 0.074 0.000 0.978 433 Y HN -0.087 nan 8.280 nan 0.000 0.513 434 S N -0.578 115.245 115.700 0.205 0.000 2.592 434 S HA 0.137 4.607 4.470 -0.000 0.000 0.243 434 S C 1.147 175.781 174.600 0.056 0.000 1.160 434 S CA -0.304 57.959 58.200 0.105 0.000 1.145 434 S CB -0.111 63.140 63.200 0.085 0.000 0.909 434 S HN 0.238 nan 8.310 nan 0.000 0.487 435 I N 2.740 123.356 120.570 0.076 0.000 2.264 435 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 435 I C 2.336 178.448 176.117 -0.009 0.000 1.111 435 I CA 1.740 63.088 61.300 0.079 0.000 1.382 435 I CB -0.236 37.853 38.000 0.149 0.000 1.060 435 I HN 0.468 nan 8.210 nan 0.000 0.418 436 S N 0.653 116.292 115.700 -0.101 0.000 2.500 436 S HA -0.054 4.416 4.470 -0.000 0.000 0.239 436 S C 2.193 176.551 174.600 -0.404 0.000 0.989 436 S CA 0.639 58.530 58.200 -0.515 0.000 0.951 436 S CB -0.930 62.060 63.200 -0.351 0.000 0.759 436 S HN 0.498 nan 8.310 nan 0.000 0.523 437 A N 2.213 124.936 122.820 -0.161 0.000 2.024 437 A HA 0.043 4.363 4.320 -0.000 0.000 0.220 437 A C 2.184 179.736 177.584 -0.054 0.000 1.164 437 A CA 1.408 53.406 52.037 -0.065 0.000 0.643 437 A CB -0.898 18.086 19.000 -0.027 0.000 0.806 437 A HN 0.588 nan 8.150 nan 0.000 0.451 438 L N -2.654 118.486 121.223 -0.139 0.000 2.089 438 L HA -0.262 4.078 4.340 -0.000 0.000 0.213 438 L C 2.453 179.351 176.870 0.047 0.000 1.079 438 L CA 1.865 56.643 54.840 -0.103 0.000 0.758 438 L CB -0.535 41.482 42.059 -0.070 0.000 0.891 438 L HN 0.765 nan 8.230 nan 0.000 0.433 439 W N 0.884 122.060 121.300 -0.207 0.000 2.342 439 W HA -0.239 4.421 4.660 -0.000 0.000 0.297 439 W C 2.516 179.048 176.519 0.022 0.000 1.213 439 W CA 2.180 59.478 57.345 -0.079 0.000 1.251 439 W CB -0.269 29.071 29.460 -0.201 0.000 1.136 439 W HN -0.010 nan 8.180 nan 0.000 0.526 440 T N 0.156 114.831 114.554 0.201 0.000 2.821 440 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 440 T C 1.933 176.710 174.700 0.128 0.000 1.046 440 T CA 1.674 63.887 62.100 0.188 0.000 1.139 440 T CB -0.765 68.247 68.868 0.239 0.000 0.871 440 T HN 0.242 nan 8.240 nan 0.000 0.454 441 A N 1.334 124.219 122.820 0.108 0.000 1.930 441 A HA 0.233 4.553 4.320 -0.000 0.000 0.217 441 A C 2.599 180.211 177.584 0.046 0.000 1.175 441 A CA 1.656 53.771 52.037 0.130 0.000 0.627 441 A CB -0.959 18.186 19.000 0.241 0.000 0.815 441 A HN 0.493 nan 8.150 nan 0.000 0.443 442 A N -1.072 121.724 122.820 -0.040 0.000 1.855 442 A HA -0.150 4.170 4.320 -0.000 0.000 0.215 442 A C 2.133 179.565 177.584 -0.253 0.000 1.191 442 A CA 1.545 53.512 52.037 -0.117 0.000 0.613 442 A CB -0.485 18.440 19.000 -0.124 0.000 0.829 442 A HN 0.457 nan 8.150 nan 0.000 0.442 443 Q N -1.288 118.212 119.800 -0.500 0.000 2.124 443 Q HA -0.136 4.204 4.340 -0.000 0.000 0.202 443 Q C 1.175 176.823 176.000 -0.586 0.000 0.977 443 Q CA 1.460 56.840 55.803 -0.705 0.000 0.850 443 Q CB -0.304 27.680 28.738 -1.256 0.000 0.901 443 Q HN 0.884 nan 8.270 nan 0.000 0.429 444 Y N -0.128 120.052 120.300 -0.202 0.000 2.468 444 Y HA 0.122 4.671 4.550 -0.000 0.000 0.268 444 Y C 0.394 176.254 175.900 -0.068 0.000 1.177 444 Y CA -0.389 57.645 58.100 -0.110 0.000 1.265 444 Y CB 0.060 38.473 38.460 -0.079 0.000 1.103 444 Y HN 0.108 nan 8.280 nan 0.000 0.522 445 N N 1.306 120.016 118.700 0.017 0.000 2.705 445 N HA -0.224 4.515 4.740 -0.000 0.000 0.255 445 N C -1.106 174.433 175.510 0.048 0.000 1.008 445 N CA 0.341 53.402 53.050 0.019 0.000 0.742 445 N CB -1.268 37.218 38.487 -0.002 0.000 0.906 445 N HN 0.382 nan 8.380 nan 0.000 0.541 446 I N 1.125 121.737 120.570 0.071 0.000 2.301 446 I HA 0.225 4.395 4.170 -0.000 0.000 0.292 446 I C -1.505 174.637 176.117 0.042 0.000 1.046 446 I CA -1.810 59.526 61.300 0.061 0.000 1.282 446 I CB 1.280 39.326 38.000 0.077 0.000 1.409 446 I HN 0.056 nan 8.210 nan 0.000 0.484 447 P HA 0.090 nan 4.420 nan 0.000 0.226 447 P C -0.159 177.097 177.300 -0.073 0.000 1.758 447 P CA -0.277 62.817 63.100 -0.010 0.000 0.896 447 P CB -0.445 31.249 31.700 -0.011 0.000 1.784 448 T N 1.429 115.907 114.554 -0.128 0.000 2.930 448 T HA 0.197 4.546 4.350 -0.000 0.000 0.306 448 T C 0.791 175.224 174.700 -0.445 0.000 1.045 448 T CA 0.403 62.291 62.100 -0.353 0.000 1.134 448 T CB 0.585 69.108 68.868 -0.575 0.000 0.961 448 T HN 0.099 nan 8.240 nan 0.000 0.545 449 I N 3.196 123.505 120.570 -0.436 0.000 2.321 449 I HA 0.327 4.497 4.170 -0.000 0.000 0.291 449 I C -0.693 175.181 176.117 -0.405 0.000 0.998 449 I CA -0.543 60.587 61.300 -0.283 0.000 1.227 449 I CB 0.627 38.552 38.000 -0.124 0.000 1.368 449 I HN 0.506 nan 8.210 nan 0.000 0.466 450 F N 5.980 125.945 119.950 0.025 0.000 2.388 450 F HA 0.388 4.915 4.527 -0.000 0.000 0.358 450 F C 0.066 175.875 175.800 0.016 0.000 1.122 450 F CA -0.874 57.141 58.000 0.025 0.000 1.056 450 F CB 1.229 40.248 39.000 0.030 0.000 1.155 450 F HN 0.028 nan 8.300 nan 0.000 0.461 451 V N 5.681 125.683 119.914 0.147 0.000 2.304 451 V HA 0.266 4.386 4.120 -0.000 0.000 0.269 451 V C 0.097 176.213 176.094 0.038 0.000 1.036 451 V CA -0.583 61.764 62.300 0.077 0.000 0.840 451 V CB 0.577 32.435 31.823 0.058 0.000 1.036 451 V HN 0.429 nan 8.190 nan 0.000 0.466 452 I N 6.016 126.569 120.570 -0.029 0.000 2.337 452 I HA 0.297 4.467 4.170 -0.000 0.000 0.291 452 I C 0.311 176.343 176.117 -0.141 0.000 1.046 452 I CA -0.272 60.934 61.300 -0.157 0.000 1.324 452 I CB 1.280 39.033 38.000 -0.411 0.000 1.409 452 I HN 0.450 nan 8.210 nan 0.000 0.494 453 M N 5.772 125.313 119.600 -0.098 0.000 2.497 453 M HA 0.132 4.612 4.480 -0.000 0.000 0.336 453 M C 0.210 176.476 176.300 -0.056 0.000 1.378 453 M CA -0.134 55.132 55.300 -0.056 0.000 1.375 453 M CB -0.735 31.863 32.600 -0.004 0.000 1.337 453 M HN 0.351 nan 8.290 nan 0.000 0.461 454 N N 3.642 122.307 118.700 -0.058 0.000 2.602 454 N HA 0.084 4.824 4.740 -0.000 0.000 0.238 454 N C 0.325 175.853 175.510 0.030 0.000 1.084 454 N CA -0.044 53.002 53.050 -0.007 0.000 0.952 454 N CB 0.314 38.823 38.487 0.036 0.000 1.244 454 N HN 0.436 nan 8.380 nan 0.000 0.512 455 N N 2.273 121.000 118.700 0.046 0.000 2.236 455 N HA 0.134 4.874 4.740 -0.000 0.000 0.196 455 N C 1.022 176.566 175.510 0.057 0.000 1.114 455 N CA 0.374 53.455 53.050 0.051 0.000 0.859 455 N CB -0.008 38.516 38.487 0.062 0.000 0.982 455 N HN 0.437 nan 8.380 nan 0.000 0.493 456 G N -1.485 107.353 108.800 0.064 0.000 2.162 456 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.260 456 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.260 456 G C -0.001 174.903 174.900 0.007 0.000 0.976 456 G CA 0.728 45.854 45.100 0.044 0.000 0.655 456 G HN 0.795 nan 8.290 nan 0.000 0.533 457 T N -1.585 112.981 114.554 0.021 0.000 2.821 457 T HA 0.519 4.869 4.350 -0.000 0.000 0.306 457 T C -1.206 173.544 174.700 0.083 0.000 1.313 457 T CA -0.552 61.552 62.100 0.007 0.000 1.012 457 T CB 0.845 69.756 68.868 0.072 0.000 1.298 457 T HN 0.325 nan 8.240 nan 0.000 0.502 458 Y N 2.674 123.055 120.300 0.135 0.000 2.532 458 Y HA 0.308 4.857 4.550 -0.000 0.000 0.337 458 Y C 1.656 177.656 175.900 0.166 0.000 1.274 458 Y CA -0.389 57.804 58.100 0.155 0.000 1.817 458 Y CB -0.259 38.291 38.460 0.151 0.000 1.769 458 Y HN 0.823 nan 8.280 nan 0.000 0.447 459 G N 1.280 110.262 108.800 0.303 0.000 2.418 459 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.217 459 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.217 459 G C 1.795 176.872 174.900 0.295 0.000 1.158 459 G CA 0.870 46.122 45.100 0.255 0.000 0.771 459 G HN 0.629 nan 8.290 nan 0.000 0.545 460 A N 0.322 123.315 122.820 0.289 0.000 1.969 460 A HA 0.157 4.477 4.320 -0.000 0.000 0.218 460 A C 2.413 180.246 177.584 0.414 0.000 1.169 460 A CA 1.049 53.275 52.037 0.316 0.000 0.635 460 A CB -0.310 18.843 19.000 0.255 0.000 0.810 460 A HN 0.362 nan 8.150 nan 0.000 0.445 461 L N -1.259 120.162 121.223 0.329 0.000 2.056 461 L HA -0.149 4.191 4.340 -0.000 0.000 0.207 461 L C 2.878 179.937 176.870 0.315 0.000 1.078 461 L CA 1.217 56.233 54.840 0.293 0.000 0.749 461 L CB -0.444 41.740 42.059 0.209 0.000 0.901 461 L HN 0.373 nan 8.230 nan 0.000 0.433 462 R N -1.054 119.624 120.500 0.296 0.000 2.091 462 R HA -0.248 4.092 4.340 -0.000 0.000 0.238 462 R C 2.076 178.533 176.300 0.261 0.000 1.136 462 R CA 2.102 58.347 56.100 0.243 0.000 0.959 462 R CB -0.484 29.944 30.300 0.212 0.000 0.856 462 R HN 0.410 nan 8.270 nan 0.000 0.437 463 W N 0.496 121.889 121.300 0.155 0.000 2.355 463 W HA -0.202 4.458 4.660 -0.000 0.000 0.309 463 W C 1.807 178.395 176.519 0.114 0.000 1.206 463 W CA 1.281 58.695 57.345 0.116 0.000 1.284 463 W CB -0.504 29.021 29.460 0.108 0.000 1.145 463 W HN -0.055 nan 8.180 nan 0.000 0.502 464 F N 0.759 120.905 119.950 0.326 0.000 2.134 464 F HA -0.186 4.341 4.527 -0.000 0.000 0.299 464 F C 2.453 178.227 175.800 -0.043 0.000 1.097 464 F CA 2.473 60.556 58.000 0.138 0.000 1.264 464 F CB -0.982 38.157 39.000 0.232 0.000 1.001 464 F HN -0.032 nan 8.300 nan 0.000 0.479 465 A N -0.206 122.750 122.820 0.226 0.000 1.902 465 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 465 A C 2.518 180.095 177.584 -0.011 0.000 1.181 465 A CA 1.646 53.752 52.037 0.115 0.000 0.623 465 A CB -1.692 17.378 19.000 0.117 0.000 0.818 465 A HN 0.434 nan 8.150 nan 0.000 0.443 466 G N -0.564 108.186 108.800 -0.083 0.000 2.442 466 G HA2 -0.131 3.829 3.960 -0.000 0.000 0.219 466 G HA3 -0.131 3.829 3.960 -0.000 0.000 0.219 466 G C 1.483 176.224 174.900 -0.264 0.000 1.141 466 G CA 1.265 46.267 45.100 -0.163 0.000 0.763 466 G HN 0.326 nan 8.290 nan 0.000 0.554 467 V N 0.453 120.100 119.914 -0.445 0.000 2.427 467 V HA -0.065 4.055 4.120 -0.000 0.000 0.248 467 V C 2.635 178.576 176.094 -0.255 0.000 1.051 467 V CA 1.096 63.105 62.300 -0.485 0.000 1.048 467 V CB -0.242 31.078 31.823 -0.839 0.000 0.666 467 V HN 0.241 nan 8.190 nan 0.000 0.456 468 L N -0.364 120.769 121.223 -0.149 0.000 2.552 468 L HA 0.087 4.427 4.340 -0.000 0.000 0.227 468 L C 1.189 178.037 176.870 -0.037 0.000 1.146 468 L CA 0.851 55.664 54.840 -0.044 0.000 0.858 468 L CB -1.063 41.026 42.059 0.051 0.000 0.969 468 L HN 0.444 nan 8.230 nan 0.000 0.451 469 E N -1.274 118.889 120.200 -0.061 0.000 2.539 469 E HA -0.251 4.099 4.350 -0.000 0.000 0.253 469 E C 0.405 176.998 176.600 -0.010 0.000 1.145 469 E CA 0.340 56.716 56.400 -0.040 0.000 0.738 469 E CB -1.446 28.231 29.700 -0.039 0.000 1.308 469 E HN 0.481 nan 8.360 nan 0.000 0.409 470 A N 1.724 124.547 122.820 0.006 0.000 2.309 470 A HA 0.378 4.698 4.320 -0.000 0.000 0.290 470 A C 0.491 178.091 177.584 0.027 0.000 1.206 470 A CA -0.165 51.887 52.037 0.025 0.000 0.850 470 A CB 0.330 19.359 19.000 0.048 0.000 1.118 470 A HN 0.332 nan 8.150 nan 0.000 0.523 471 E N 2.367 122.581 120.200 0.023 0.000 2.264 471 E HA 0.413 4.763 4.350 -0.000 0.000 0.260 471 E C -0.534 176.083 176.600 0.029 0.000 0.961 471 E CA -1.115 55.299 56.400 0.024 0.000 0.834 471 E CB 0.603 30.313 29.700 0.016 0.000 1.230 471 E HN 0.492 nan 8.360 nan 0.000 0.412 472 N N -0.492 118.226 118.700 0.030 0.000 2.740 472 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 472 N C -1.008 174.524 175.510 0.037 0.000 1.062 472 N CA 0.808 53.877 53.050 0.031 0.000 0.704 472 N CB -1.282 37.219 38.487 0.024 0.000 0.968 472 N HN 0.355 nan 8.380 nan 0.000 0.547 473 V N 1.909 121.851 119.914 0.047 0.000 2.432 473 V HA 0.311 4.431 4.120 -0.000 0.000 0.271 473 V C -0.905 175.227 176.094 0.063 0.000 1.046 473 V CA -0.956 61.378 62.300 0.056 0.000 0.945 473 V CB 1.219 33.084 31.823 0.070 0.000 0.992 473 V HN 0.136 nan 8.190 nan 0.000 0.471 474 P HA 0.433 nan 4.420 nan 0.000 0.279 474 P C 0.583 177.937 177.300 0.089 0.000 1.252 474 P CA 0.259 63.396 63.100 0.063 0.000 0.811 474 P CB 1.327 33.057 31.700 0.051 0.000 1.035 475 G N 0.346 109.201 108.800 0.093 0.000 2.136 475 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.242 475 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.242 475 G C 0.530 175.555 174.900 0.209 0.000 0.989 475 G CA 0.213 45.392 45.100 0.131 0.000 0.682 475 G HN 0.484 nan 8.290 nan 0.000 0.522 476 L N -0.378 120.947 121.223 0.170 0.000 2.529 476 L HA 0.255 4.595 4.340 -0.000 0.000 0.223 476 L C 0.330 177.255 176.870 0.092 0.000 1.113 476 L CA 0.377 55.358 54.840 0.234 0.000 0.861 476 L CB -0.046 42.127 42.059 0.189 0.000 1.012 476 L HN 0.155 nan 8.230 nan 0.000 0.461 477 D N 0.222 120.615 120.400 -0.012 0.000 2.252 477 D HA 0.337 4.977 4.640 -0.000 0.000 0.245 477 D C -0.036 176.150 176.300 -0.191 0.000 1.009 477 D CA -0.122 53.821 54.000 -0.095 0.000 0.870 477 D CB 3.103 43.889 40.800 -0.024 0.000 1.251 477 D HN -0.203 nan 8.370 nan 0.000 0.460 478 V N -1.048 118.733 119.914 -0.221 0.000 2.468 478 V HA 0.335 4.455 4.120 -0.000 0.000 0.256 478 V C -2.503 173.533 176.094 -0.096 0.000 0.998 478 V CA -1.397 60.778 62.300 -0.208 0.000 1.114 478 V CB 0.350 31.971 31.823 -0.336 0.000 1.378 478 V HN 0.309 nan 8.190 nan 0.000 0.573 479 P HA 0.377 nan 4.420 nan 0.000 0.272 479 P C 0.910 178.178 177.300 -0.053 0.000 1.240 479 P CA 1.248 64.325 63.100 -0.038 0.000 0.791 479 P CB 1.146 32.829 31.700 -0.028 0.000 0.978 480 G N 0.381 109.153 108.800 -0.046 0.000 2.160 480 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.244 480 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.244 480 G C -0.131 174.698 174.900 -0.118 0.000 1.022 480 G CA -0.174 44.886 45.100 -0.067 0.000 0.741 480 G HN 0.491 nan 8.290 nan 0.000 0.508 481 I N 0.574 121.045 120.570 -0.166 0.000 2.362 481 I HA 0.327 4.497 4.170 -0.000 0.000 0.289 481 I C -0.588 175.300 176.117 -0.381 0.000 0.994 481 I CA -0.808 60.275 61.300 -0.361 0.000 1.158 481 I CB 1.746 39.386 38.000 -0.601 0.000 1.315 481 I HN 0.020 nan 8.210 nan 0.000 0.451 482 D N 6.308 126.509 120.400 -0.331 0.000 2.485 482 D HA 0.216 4.856 4.640 -0.000 0.000 0.221 482 D C 0.537 176.725 176.300 -0.188 0.000 1.112 482 D CA -0.346 53.553 54.000 -0.170 0.000 0.911 482 D CB 0.543 41.286 40.800 -0.095 0.000 1.019 482 D HN 0.298 nan 8.370 nan 0.000 0.516 483 F N 1.863 121.816 119.950 0.005 0.000 2.293 483 F HA 0.026 4.553 4.527 -0.000 0.000 0.300 483 F C 2.398 178.205 175.800 0.013 0.000 1.086 483 F CA 0.545 58.553 58.000 0.012 0.000 1.375 483 F CB 0.014 39.029 39.000 0.025 0.000 1.045 483 F HN 0.246 nan 8.300 nan 0.000 0.516 484 R N 0.059 120.657 120.500 0.163 0.000 2.092 484 R HA -0.095 4.245 4.340 -0.000 0.000 0.231 484 R C 2.423 178.753 176.300 0.050 0.000 1.119 484 R CA 1.124 57.283 56.100 0.099 0.000 0.970 484 R CB -0.680 29.665 30.300 0.075 0.000 0.864 484 R HN 0.290 nan 8.270 nan 0.000 0.440 485 A N 1.186 124.013 122.820 0.011 0.000 1.930 485 A HA -0.078 4.242 4.320 -0.000 0.000 0.217 485 A C 2.160 179.717 177.584 -0.046 0.000 1.175 485 A CA 0.917 52.937 52.037 -0.027 0.000 0.627 485 A CB -0.396 18.571 19.000 -0.055 0.000 0.815 485 A HN 0.149 nan 8.150 nan 0.000 0.443 486 L N -0.702 120.496 121.223 -0.041 0.000 2.046 486 L HA -0.204 4.136 4.340 -0.000 0.000 0.208 486 L C 3.109 179.993 176.870 0.023 0.000 1.077 486 L CA 1.048 55.865 54.840 -0.038 0.000 0.747 486 L CB -0.628 41.434 42.059 0.004 0.000 0.896 486 L HN 0.438 nan 8.230 nan 0.000 0.432 487 A N 0.312 123.176 122.820 0.073 0.000 1.865 487 A HA -0.283 4.037 4.320 -0.000 0.000 0.217 487 A C 2.410 180.036 177.584 0.071 0.000 1.191 487 A CA 2.153 54.245 52.037 0.090 0.000 0.623 487 A CB -0.539 18.516 19.000 0.093 0.000 0.826 487 A HN 0.343 nan 8.150 nan 0.000 0.444 488 K N -0.649 119.772 120.400 0.034 0.000 2.063 488 K HA -0.146 4.174 4.320 -0.000 0.000 0.208 488 K C 2.023 178.615 176.600 -0.014 0.000 1.048 488 K CA 1.541 57.838 56.287 0.017 0.000 0.928 488 K CB -0.630 31.871 32.500 0.001 0.000 0.713 488 K HN 0.397 nan 8.250 nan 0.000 0.442 489 G N -0.224 108.520 108.800 -0.093 0.000 2.469 489 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 489 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 489 G C 0.753 175.508 174.900 -0.241 0.000 1.136 489 G CA 0.989 45.945 45.100 -0.240 0.000 0.759 489 G HN 0.371 nan 8.290 nan 0.000 0.562 490 Y N 0.019 120.380 120.300 0.102 0.000 2.555 490 Y HA 0.411 4.961 4.550 -0.000 0.000 0.259 490 Y C 1.823 177.815 175.900 0.154 0.000 1.179 490 Y CA -0.768 57.450 58.100 0.197 0.000 1.230 490 Y CB 0.324 38.900 38.460 0.194 0.000 1.146 490 Y HN 0.292 nan 8.280 nan 0.000 0.526 491 G N 0.262 109.176 108.800 0.191 0.000 2.137 491 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.237 491 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.237 491 G C -0.436 174.511 174.900 0.079 0.000 1.002 491 G CA 0.162 45.326 45.100 0.107 0.000 0.702 491 G HN 0.108 nan 8.290 nan 0.000 0.515 492 V N 0.902 120.875 119.914 0.099 0.000 2.435 492 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 492 V C 0.875 177.020 176.094 0.086 0.000 1.030 492 V CA -0.623 61.735 62.300 0.095 0.000 0.881 492 V CB 1.836 33.723 31.823 0.107 0.000 0.983 492 V HN 0.520 nan 8.190 nan 0.000 0.445 493 Q N 2.751 122.600 119.800 0.081 0.000 2.315 493 Q HA 0.374 4.714 4.340 -0.000 0.000 0.289 493 Q C -0.202 175.848 176.000 0.082 0.000 1.044 493 Q CA 0.052 55.897 55.803 0.070 0.000 0.920 493 Q CB 0.793 29.568 28.738 0.062 0.000 1.214 493 Q HN 0.932 nan 8.270 nan 0.000 0.392 494 A N 5.935 128.796 122.820 0.069 0.000 2.311 494 A HA 0.589 4.909 4.320 -0.000 0.000 0.306 494 A C -1.129 176.492 177.584 0.062 0.000 1.189 494 A CA -0.691 51.391 52.037 0.074 0.000 0.791 494 A CB 0.667 19.710 19.000 0.071 0.000 1.172 494 A HN 0.748 nan 8.150 nan 0.000 0.481 495 L N 1.846 123.108 121.223 0.065 0.000 2.322 495 L HA 0.675 5.015 4.340 -0.000 0.000 0.269 495 L C 0.196 177.097 176.870 0.052 0.000 1.012 495 L CA -0.982 53.889 54.840 0.052 0.000 0.815 495 L CB 2.202 44.289 42.059 0.046 0.000 1.295 495 L HN 0.859 nan 8.230 nan 0.000 0.438 496 K N 0.652 121.076 120.400 0.041 0.000 2.267 496 K HA 0.901 5.221 4.320 -0.000 0.000 0.246 496 K C -1.264 175.352 176.600 0.026 0.000 0.954 496 K CA -0.792 55.517 56.287 0.038 0.000 0.824 496 K CB 2.396 34.919 32.500 0.038 0.000 1.167 496 K HN 0.583 nan 8.250 nan 0.000 0.431 497 A N 2.413 125.245 122.820 0.020 0.000 2.522 497 A HA 0.297 4.617 4.320 -0.000 0.000 0.285 497 A C -0.961 176.626 177.584 0.004 0.000 1.198 497 A CA -0.733 51.310 52.037 0.010 0.000 0.742 497 A CB 0.703 19.705 19.000 0.003 0.000 1.176 497 A HN 0.817 nan 8.150 nan 0.000 0.444 498 D N 0.905 121.309 120.400 0.006 0.000 2.360 498 D HA 0.094 4.734 4.640 -0.000 0.000 0.210 498 D C 0.231 176.529 176.300 -0.004 0.000 1.047 498 D CA 1.006 55.008 54.000 0.002 0.000 0.854 498 D CB 0.429 41.234 40.800 0.008 0.000 0.936 498 D HN 0.799 nan 8.370 nan 0.000 0.514 499 N N -1.433 117.266 118.700 -0.002 0.000 2.934 499 N HA 0.086 4.826 4.740 -0.000 0.000 0.253 499 N C 0.214 175.725 175.510 0.001 0.000 1.466 499 N CA -0.730 52.319 53.050 -0.002 0.000 0.858 499 N CB 1.005 39.494 38.487 0.003 0.000 1.459 499 N HN -0.235 nan 8.380 nan 0.000 0.532 500 L N 0.003 121.229 121.223 0.006 0.000 2.042 500 L HA 0.024 4.364 4.340 -0.000 0.000 0.210 500 L C 1.717 178.593 176.870 0.010 0.000 1.076 500 L CA 1.991 56.836 54.840 0.009 0.000 0.749 500 L CB -0.867 41.203 42.059 0.018 0.000 0.893 500 L HN 0.646 nan 8.230 nan 0.000 0.432 501 E N -0.378 119.828 120.200 0.011 0.000 2.077 501 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 501 E C 2.184 178.791 176.600 0.011 0.000 0.989 501 E CA 1.381 57.788 56.400 0.011 0.000 0.800 501 E CB -0.234 29.473 29.700 0.012 0.000 0.746 501 E HN 0.685 nan 8.360 nan 0.000 0.452 502 Q N 0.047 119.853 119.800 0.010 0.000 2.119 502 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 502 Q C 2.284 178.290 176.000 0.010 0.000 0.972 502 Q CA 0.681 56.490 55.803 0.010 0.000 0.847 502 Q CB -0.119 28.625 28.738 0.010 0.000 0.903 502 Q HN 0.123 nan 8.270 nan 0.000 0.433 503 L N 1.251 122.478 121.223 0.006 0.000 2.017 503 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 503 L C 1.847 178.723 176.870 0.010 0.000 1.073 503 L CA 1.867 56.710 54.840 0.004 0.000 0.745 503 L CB -0.201 41.855 42.059 -0.006 0.000 0.894 503 L HN -0.032 nan 8.230 nan 0.000 0.432 504 K N -0.617 119.790 120.400 0.011 0.000 2.063 504 K HA -0.108 4.212 4.320 -0.000 0.000 0.208 504 K C 2.008 178.617 176.600 0.015 0.000 1.048 504 K CA 1.301 57.596 56.287 0.014 0.000 0.928 504 K CB -0.774 31.735 32.500 0.015 0.000 0.713 504 K HN 0.560 nan 8.250 nan 0.000 0.442 505 G N 1.182 109.990 108.800 0.014 0.000 2.433 505 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.216 505 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.216 505 G C 1.621 176.531 174.900 0.016 0.000 1.186 505 G CA 1.271 46.380 45.100 0.014 0.000 0.779 505 G HN 0.422 nan 8.290 nan 0.000 0.543 506 S N 0.805 116.515 115.700 0.017 0.000 2.370 506 S HA -0.047 4.423 4.470 -0.000 0.000 0.226 506 S C 2.374 176.987 174.600 0.021 0.000 1.033 506 S CA 1.286 59.498 58.200 0.021 0.000 1.011 506 S CB -0.502 62.712 63.200 0.023 0.000 0.852 506 S HN 0.270 nan 8.310 nan 0.000 0.457 507 L N 0.760 121.995 121.223 0.020 0.000 2.046 507 L HA -0.126 4.214 4.340 -0.000 0.000 0.208 507 L C 3.168 180.048 176.870 0.017 0.000 1.077 507 L CA 1.640 56.492 54.840 0.021 0.000 0.747 507 L CB -0.600 41.474 42.059 0.025 0.000 0.896 507 L HN 0.339 nan 8.230 nan 0.000 0.432 508 Q N 0.275 120.085 119.800 0.016 0.000 2.084 508 Q HA -0.225 4.115 4.340 -0.000 0.000 0.202 508 Q C 2.031 178.038 176.000 0.011 0.000 0.978 508 Q CA 1.697 57.508 55.803 0.013 0.000 0.844 508 Q CB 0.003 28.749 28.738 0.013 0.000 0.898 508 Q HN 0.434 nan 8.270 nan 0.000 0.426 509 E N -0.677 119.531 120.200 0.014 0.000 2.051 509 E HA -0.207 4.143 4.350 -0.000 0.000 0.192 509 E C 1.901 178.509 176.600 0.014 0.000 0.991 509 E CA 0.977 57.386 56.400 0.014 0.000 0.799 509 E CB -0.252 29.459 29.700 0.018 0.000 0.748 509 E HN 0.464 nan 8.360 nan 0.000 0.449 510 A N 1.311 124.140 122.820 0.015 0.000 1.902 510 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 510 A C 2.217 179.801 177.584 0.000 0.000 1.181 510 A CA 1.102 53.147 52.037 0.012 0.000 0.623 510 A CB -0.714 18.295 19.000 0.015 0.000 0.818 510 A HN 0.142 nan 8.150 nan 0.000 0.443 511 L N 0.470 121.692 121.223 -0.001 0.000 2.127 511 L HA -0.180 4.160 4.340 -0.000 0.000 0.211 511 L C 2.704 179.569 176.870 -0.008 0.000 1.089 511 L CA 1.596 56.431 54.840 -0.009 0.000 0.757 511 L CB -0.348 41.708 42.059 -0.005 0.000 0.899 511 L HN 0.615 nan 8.230 nan 0.000 0.434 512 S N -0.968 114.731 115.700 -0.001 0.000 2.548 512 S HA 0.252 4.722 4.470 -0.000 0.000 0.215 512 S C 1.026 175.626 174.600 0.001 0.000 0.976 512 S CA -0.032 58.168 58.200 -0.000 0.000 0.908 512 S CB -0.141 63.061 63.200 0.003 0.000 0.781 512 S HN 0.219 nan 8.310 nan 0.000 0.519 513 A N 1.855 124.677 122.820 0.003 0.000 2.406 513 A HA 0.411 4.731 4.320 -0.000 0.000 0.243 513 A C 1.035 178.621 177.584 0.003 0.000 1.082 513 A CA -0.278 51.763 52.037 0.006 0.000 0.786 513 A CB 0.320 19.328 19.000 0.013 0.000 1.029 513 A HN 0.412 nan 8.150 nan 0.000 0.495 514 K N 0.793 121.197 120.400 0.006 0.000 2.354 514 K HA 0.151 4.471 4.320 -0.000 0.000 0.194 514 K C 0.899 177.504 176.600 0.007 0.000 1.038 514 K CA 0.662 56.952 56.287 0.004 0.000 1.052 514 K CB 0.662 33.163 32.500 0.003 0.000 0.861 514 K HN 0.779 nan 8.250 nan 0.000 0.535 515 G N 2.062 110.871 108.800 0.015 0.000 2.932 515 G HA2 0.369 4.329 3.960 -0.000 0.000 0.283 515 G HA3 0.369 4.329 3.960 -0.000 0.000 0.283 515 G C -2.891 172.034 174.900 0.040 0.000 1.336 515 G CA -1.318 43.797 45.100 0.025 0.000 1.056 515 G HN -0.218 nan 8.290 nan 0.000 0.522 516 P HA 0.348 nan 4.420 nan 0.000 0.272 516 P C -0.826 176.560 177.300 0.145 0.000 1.223 516 P CA -0.140 63.037 63.100 0.128 0.000 0.784 516 P CB 1.588 33.431 31.700 0.238 0.000 0.923 517 V N 3.440 123.457 119.914 0.171 0.000 2.733 517 V HA 0.346 4.466 4.120 -0.000 0.000 0.306 517 V C -0.052 176.193 176.094 0.252 0.000 1.084 517 V CA -0.748 61.647 62.300 0.158 0.000 0.905 517 V CB 2.079 33.952 31.823 0.084 0.000 1.010 517 V HN 0.462 nan 8.190 nan 0.000 0.424 518 L N 5.752 127.111 121.223 0.226 0.000 2.307 518 L HA 0.709 5.049 4.340 -0.000 0.000 0.284 518 L C -1.007 175.945 176.870 0.136 0.000 1.023 518 L CA -0.289 54.686 54.840 0.226 0.000 0.810 518 L CB 1.210 43.369 42.059 0.167 0.000 1.231 518 L HN 0.602 nan 8.230 nan 0.000 0.423 519 I N 4.618 125.256 120.570 0.113 0.000 2.389 519 I HA 0.309 4.479 4.170 -0.000 0.000 0.288 519 I C -0.322 175.820 176.117 0.042 0.000 0.999 519 I CA -0.435 60.906 61.300 0.068 0.000 1.129 519 I CB 1.788 39.818 38.000 0.050 0.000 1.288 519 I HN 0.615 nan 8.210 nan 0.000 0.444 520 E N 6.622 126.848 120.200 0.043 0.000 2.089 520 E HA 0.359 4.709 4.350 -0.000 0.000 0.284 520 E C -1.303 175.303 176.600 0.011 0.000 1.023 520 E CA -0.519 55.894 56.400 0.022 0.000 0.819 520 E CB 1.113 30.869 29.700 0.093 0.000 1.076 520 E HN 0.374 nan 8.360 nan 0.000 0.396 521 V N 3.909 123.810 119.914 -0.022 0.000 2.394 521 V HA 0.125 4.245 4.120 -0.000 0.000 0.282 521 V C 0.323 176.405 176.094 -0.020 0.000 1.031 521 V CA -0.668 61.618 62.300 -0.022 0.000 0.881 521 V CB 1.473 33.270 31.823 -0.044 0.000 0.982 521 V HN 0.616 nan 8.190 nan 0.000 0.451 522 S N 4.378 120.072 115.700 -0.010 0.000 2.405 522 S HA 0.344 4.814 4.470 -0.000 0.000 0.291 522 S C 0.369 174.950 174.600 -0.030 0.000 1.137 522 S CA -0.464 57.731 58.200 -0.008 0.000 1.061 522 S CB -0.233 62.966 63.200 -0.001 0.000 1.001 522 S HN 1.003 nan 8.310 nan 0.000 0.507 523 T N 1.884 116.420 114.554 -0.030 0.000 2.945 523 T HA 0.665 5.015 4.350 -0.000 0.000 0.286 523 T C 0.683 175.354 174.700 -0.049 0.000 1.025 523 T CA -0.687 61.384 62.100 -0.048 0.000 1.039 523 T CB 1.073 69.920 68.868 -0.035 0.000 1.068 523 T HN 0.587 nan 8.240 nan 0.000 0.497 524 V N 0.000 119.859 119.914 -0.091 0.000 2.409 524 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 524 V CA 0.000 62.245 62.300 -0.092 0.000 1.235 524 V CB 0.000 31.692 31.823 -0.219 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556