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 3fsj_1_X 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 STVSP 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 0.000 177.667 177.584 0.139 0.000 1.274 2 A CA 0.000 52.112 52.037 0.125 0.000 0.836 2 A CB 0.000 19.096 19.000 0.159 0.000 0.831 3 S N 0.243 116.042 115.700 0.164 0.000 2.632 3 S HA 0.490 4.958 4.470 -0.003 0.000 0.267 3 S C 1.168 175.921 174.600 0.255 0.000 1.276 3 S CA 0.039 58.357 58.200 0.197 0.000 0.998 3 S CB 1.109 64.438 63.200 0.215 0.000 0.953 3 S HN 1.455 nan 8.310 nan 0.000 0.547 4 V N 1.688 121.760 119.914 0.263 0.000 2.332 4 V HA -0.210 3.909 4.120 -0.003 0.000 0.248 4 V C 2.582 178.970 176.094 0.491 0.000 1.055 4 V CA 2.327 64.803 62.300 0.293 0.000 1.038 4 V CB -1.419 30.504 31.823 0.167 0.000 0.651 4 V HN 1.042 nan 8.190 nan 0.000 0.450 5 H N 0.791 120.163 119.070 0.504 0.000 2.265 5 H HA -0.177 4.377 4.556 -0.003 0.000 0.295 5 H C 2.322 177.871 175.328 0.369 0.000 1.084 5 H CA 2.348 58.704 56.048 0.514 0.000 1.261 5 H CB -0.543 29.448 29.762 0.382 0.000 1.360 5 H HN 0.421 nan 8.280 nan 0.000 0.487 6 G N -0.739 108.344 108.800 0.472 0.000 2.418 6 G HA2 -0.236 3.723 3.960 -0.003 0.000 0.217 6 G HA3 -0.236 3.723 3.960 -0.003 0.000 0.217 6 G C 1.820 176.871 174.900 0.252 0.000 1.158 6 G CA 1.296 46.586 45.100 0.316 0.000 0.771 6 G HN 0.455 nan 8.290 nan 0.000 0.545 7 T N 0.846 115.577 114.554 0.294 0.000 2.821 7 T HA -0.089 4.259 4.350 -0.003 0.000 0.267 7 T C 2.640 177.545 174.700 0.342 0.000 1.046 7 T CA 1.729 64.043 62.100 0.357 0.000 1.139 7 T CB -0.389 68.679 68.868 0.334 0.000 0.871 7 T HN 0.287 nan 8.240 nan 0.000 0.454 8 T N 0.886 115.604 114.554 0.274 0.000 2.777 8 T HA -0.042 4.306 4.350 -0.003 0.000 0.266 8 T C 1.636 176.346 174.700 0.017 0.000 1.040 8 T CA 0.999 63.216 62.100 0.195 0.000 1.141 8 T CB -0.461 68.592 68.868 0.308 0.000 0.868 8 T HN 0.381 nan 8.240 nan 0.000 0.444 9 Y N 1.400 121.659 120.300 -0.069 0.000 2.224 9 Y HA -0.068 4.480 4.550 -0.003 0.000 0.289 9 Y C 2.606 178.437 175.900 -0.114 0.000 1.146 9 Y CA 1.079 59.014 58.100 -0.275 0.000 1.182 9 Y CB -0.320 37.796 38.460 -0.573 0.000 0.983 9 Y HN 0.181 nan 8.280 nan 0.000 0.524 10 E N 0.411 120.634 120.200 0.039 0.000 2.051 10 E HA -0.196 4.152 4.350 -0.003 0.000 0.192 10 E C 2.076 178.546 176.600 -0.217 0.000 0.991 10 E CA 1.037 57.327 56.400 -0.183 0.000 0.799 10 E CB -0.581 28.856 29.700 -0.438 0.000 0.748 10 E HN 0.340 nan 8.360 nan 0.000 0.449 11 L N 0.233 121.481 121.223 0.042 0.000 2.012 11 L HA -0.150 4.189 4.340 -0.003 0.000 0.210 11 L C 2.159 179.115 176.870 0.142 0.000 1.073 11 L CA 1.747 56.737 54.840 0.250 0.000 0.748 11 L CB -0.610 41.678 42.059 0.383 0.000 0.891 11 L HN 0.281 nan 8.230 nan 0.000 0.431 12 L N -0.353 120.942 121.223 0.120 0.000 1.989 12 L HA -0.245 4.093 4.340 -0.003 0.000 0.211 12 L C 2.896 179.850 176.870 0.138 0.000 1.071 12 L CA 2.080 56.997 54.840 0.128 0.000 0.749 12 L CB -0.716 41.414 42.059 0.119 0.000 0.890 12 L HN 0.425 nan 8.230 nan 0.000 0.431 13 R N -0.262 120.353 120.500 0.192 0.000 2.092 13 R HA -0.115 4.223 4.340 -0.003 0.000 0.231 13 R C 2.211 178.512 176.300 0.002 0.000 1.119 13 R CA 0.904 57.038 56.100 0.057 0.000 0.970 13 R CB -0.455 29.904 30.300 0.100 0.000 0.864 13 R HN 0.201 nan 8.270 nan 0.000 0.440 14 R N 0.573 121.072 120.500 -0.001 0.000 2.189 14 R HA 0.001 4.339 4.340 -0.003 0.000 0.223 14 R C 1.366 177.709 176.300 0.071 0.000 1.092 14 R CA 0.837 56.947 56.100 0.017 0.000 0.989 14 R CB -0.032 30.270 30.300 0.004 0.000 0.876 14 R HN 0.442 nan 8.270 nan 0.000 0.457 15 Q N -0.570 119.275 119.800 0.076 0.000 2.246 15 Q HA 0.152 4.490 4.340 -0.003 0.000 0.202 15 Q C 0.654 176.685 176.000 0.052 0.000 0.883 15 Q CA 0.401 56.250 55.803 0.076 0.000 0.952 15 Q CB 1.092 29.866 28.738 0.060 0.000 1.078 15 Q HN 0.519 nan 8.270 nan 0.000 0.493 16 G N 1.261 110.077 108.800 0.026 0.000 2.157 16 G HA2 -0.255 3.703 3.960 -0.003 0.000 0.248 16 G HA3 -0.255 3.703 3.960 -0.003 0.000 0.248 16 G C 0.147 175.035 174.900 -0.020 0.000 0.979 16 G CA -0.175 44.927 45.100 0.004 0.000 0.650 16 G HN 0.337 nan 8.290 nan 0.000 0.529 17 I N 1.474 122.023 120.570 -0.034 0.000 2.342 17 I HA 0.467 4.635 4.170 -0.003 0.000 0.291 17 I C 0.625 176.514 176.117 -0.381 0.000 1.010 17 I CA -0.001 61.265 61.300 -0.058 0.000 1.308 17 I CB 1.458 39.491 38.000 0.055 0.000 1.400 17 I HN 0.251 nan 8.210 nan 0.000 0.488 18 D N 1.352 121.479 120.400 -0.456 0.000 2.516 18 D HA 0.095 4.733 4.640 -0.003 0.000 0.241 18 D C -0.114 175.846 176.300 -0.568 0.000 1.246 18 D CA -0.050 53.388 54.000 -0.936 0.000 0.808 18 D CB 0.544 41.003 40.800 -0.568 0.000 1.147 18 D HN 0.275 nan 8.370 nan 0.000 0.527 19 T N 0.177 114.593 114.554 -0.230 0.000 2.886 19 T HA 0.576 4.925 4.350 -0.003 0.000 0.292 19 T C -0.911 173.779 174.700 -0.017 0.000 1.012 19 T CA -0.630 61.352 62.100 -0.198 0.000 0.982 19 T CB 2.549 71.123 68.868 -0.491 0.000 1.018 19 T HN -0.130 nan 8.240 nan 0.000 0.451 20 V N 3.777 123.709 119.914 0.031 0.000 2.378 20 V HA 0.483 4.601 4.120 -0.003 0.000 0.288 20 V C -0.908 174.971 176.094 -0.358 0.000 1.016 20 V CA -0.845 61.581 62.300 0.211 0.000 0.840 20 V CB 0.614 32.794 31.823 0.594 0.000 0.994 20 V HN 0.798 nan 8.190 nan 0.000 0.431 21 F N 3.238 123.156 119.950 -0.054 0.000 2.411 21 F HA 0.764 5.290 4.527 -0.003 0.000 0.355 21 F C 0.939 176.609 175.800 -0.216 0.000 1.117 21 F CA -0.041 57.825 58.000 -0.223 0.000 1.139 21 F CB 1.653 40.579 39.000 -0.124 0.000 1.120 21 F HN 0.599 nan 8.300 nan 0.000 0.493 22 G N 2.438 111.090 108.800 -0.248 0.000 2.677 22 G HA2 0.322 4.280 3.960 -0.003 0.000 0.291 22 G HA3 0.322 4.280 3.960 -0.003 0.000 0.291 22 G C -2.192 172.776 174.900 0.113 0.000 1.435 22 G CA -0.883 44.189 45.100 -0.046 0.000 0.826 22 G HN 0.523 nan 8.290 nan 0.000 0.491 23 N N 1.108 119.931 118.700 0.205 0.000 2.461 23 N HA 0.456 5.195 4.740 -0.003 0.000 0.284 23 N C -2.843 172.791 175.510 0.208 0.000 1.049 23 N CA -1.270 51.901 53.050 0.201 0.000 0.889 23 N CB 3.399 41.960 38.487 0.125 0.000 1.365 23 N HN 0.297 nan 8.380 nan 0.000 0.499 24 P HA 0.446 nan 4.420 nan 0.000 0.278 24 P C -0.360 176.926 177.300 -0.024 0.000 1.258 24 P CA -0.074 63.091 63.100 0.109 0.000 0.811 24 P CB 1.852 33.562 31.700 0.016 0.000 1.063 25 G N -0.916 107.845 108.800 -0.065 0.000 2.645 25 G HA2 0.373 4.331 3.960 -0.003 0.000 0.292 25 G HA3 0.373 4.331 3.960 -0.003 0.000 0.292 25 G C 0.686 175.500 174.900 -0.143 0.000 1.415 25 G CA -0.015 44.861 45.100 -0.373 0.000 0.785 25 G HN 0.402 nan 8.290 nan 0.000 0.483 26 S N -0.189 115.408 115.700 -0.171 0.000 2.382 26 S HA -0.134 4.334 4.470 -0.003 0.000 0.228 26 S C 1.657 176.238 174.600 -0.031 0.000 1.027 26 S CA 1.575 59.729 58.200 -0.076 0.000 0.991 26 S CB -0.239 62.916 63.200 -0.075 0.000 0.823 26 S HN 0.418 nan 8.310 nan 0.000 0.469 27 N N 1.867 120.696 118.700 0.215 0.000 2.453 27 N HA 0.012 4.751 4.740 -0.003 0.000 0.183 27 N C 1.050 176.747 175.510 0.312 0.000 1.041 27 N CA 1.100 54.325 53.050 0.292 0.000 0.900 27 N CB -0.260 38.440 38.487 0.354 0.000 0.961 27 N HN 0.607 nan 8.380 nan 0.000 0.443 28 E N -0.471 119.882 120.200 0.255 0.000 2.460 28 E HA 0.214 4.562 4.350 -0.003 0.000 0.200 28 E C 1.751 178.462 176.600 0.186 0.000 1.011 28 E CA -0.128 56.437 56.400 0.275 0.000 0.912 28 E CB 0.060 29.932 29.700 0.287 0.000 0.953 28 E HN 0.210 nan 8.360 nan 0.000 0.494 29 L N 1.018 122.285 121.223 0.074 0.000 2.042 29 L HA -0.123 4.215 4.340 -0.003 0.000 0.210 29 L C -0.679 176.216 176.870 0.041 0.000 1.076 29 L CA 1.379 56.224 54.840 0.007 0.000 0.749 29 L CB -1.279 40.743 42.059 -0.061 0.000 0.893 29 L HN 0.135 nan 8.230 nan 0.000 0.432 30 P HA -0.182 nan 4.420 nan 0.000 0.223 30 P C 1.323 178.702 177.300 0.132 0.000 1.151 30 P CA 1.121 64.340 63.100 0.197 0.000 0.787 30 P CB 0.009 31.964 31.700 0.425 0.000 0.788 31 F N 0.041 119.808 119.950 -0.306 0.000 2.219 31 F HA 0.032 4.557 4.527 -0.003 0.000 0.294 31 F C 1.708 177.453 175.800 -0.093 0.000 1.086 31 F CA 1.207 58.773 58.000 -0.723 0.000 1.330 31 F CB -0.687 37.705 39.000 -1.014 0.000 1.047 31 F HN -0.280 nan 8.300 nan 0.000 0.495 32 L N 0.832 121.979 121.223 -0.127 0.000 2.341 32 L HA -0.024 4.314 4.340 -0.003 0.000 0.214 32 L C 1.060 177.906 176.870 -0.041 0.000 1.115 32 L CA 0.153 54.917 54.840 -0.126 0.000 0.820 32 L CB -0.791 41.186 42.059 -0.136 0.000 0.944 32 L HN 0.052 nan 8.230 nan 0.000 0.452 33 K N -0.204 120.189 120.400 -0.012 0.000 2.336 33 K HA -0.041 4.278 4.320 -0.003 0.000 0.262 33 K C -0.207 176.375 176.600 -0.030 0.000 0.992 33 K CA -0.276 55.988 56.287 -0.037 0.000 0.927 33 K CB 0.299 32.764 32.500 -0.058 0.000 0.956 33 K HN -0.053 nan 8.250 nan 0.000 0.495 34 D N 0.123 120.476 120.400 -0.078 0.000 2.701 34 D HA -0.232 4.407 4.640 -0.003 0.000 0.235 34 D C -0.645 175.581 176.300 -0.123 0.000 1.155 34 D CA 0.864 54.799 54.000 -0.108 0.000 0.649 34 D CB -1.380 39.302 40.800 -0.196 0.000 1.050 34 D HN 0.500 nan 8.370 nan 0.000 0.425 35 F N 0.988 120.767 119.950 -0.284 0.000 2.602 35 F HA 0.184 4.709 4.527 -0.003 0.000 0.385 35 F C -1.469 174.075 175.800 -0.427 0.000 1.063 35 F CA -1.401 56.333 58.000 -0.444 0.000 1.233 35 F CB 0.433 39.249 39.000 -0.307 0.000 1.067 35 F HN -0.157 nan 8.300 nan 0.000 0.564 36 P HA 0.037 nan 4.420 nan 0.000 0.268 36 P C 0.097 177.187 177.300 -0.349 0.000 1.205 36 P CA 0.119 62.811 63.100 -0.681 0.000 0.771 36 P CB 0.557 31.736 31.700 -0.868 0.000 0.858 37 E N 1.319 121.423 120.200 -0.159 0.000 2.268 37 E HA -0.171 4.177 4.350 -0.003 0.000 0.195 37 E C 1.008 177.597 176.600 -0.019 0.000 0.995 37 E CA 0.995 57.364 56.400 -0.052 0.000 0.836 37 E CB -0.058 29.618 29.700 -0.041 0.000 0.763 37 E HN 0.611 nan 8.360 nan 0.000 0.491 38 D N -0.169 120.222 120.400 -0.013 0.000 2.349 38 D HA -0.072 4.566 4.640 -0.003 0.000 0.215 38 D C 0.195 176.474 176.300 -0.035 0.000 1.016 38 D CA 0.100 54.093 54.000 -0.012 0.000 0.870 38 D CB -0.056 40.729 40.800 -0.024 0.000 0.917 38 D HN -0.028 nan 8.370 nan 0.000 0.524 39 F N 1.201 120.992 119.950 -0.264 0.000 2.403 39 F HA 0.414 4.939 4.527 -0.003 0.000 0.326 39 F C 1.010 176.821 175.800 0.018 0.000 1.081 39 F CA -1.086 56.766 58.000 -0.248 0.000 1.041 39 F CB 1.306 39.904 39.000 -0.670 0.000 1.234 39 F HN -0.285 nan 8.300 nan 0.000 0.503 40 R N 1.785 122.429 120.500 0.241 0.000 2.637 40 R HA 0.406 4.744 4.340 -0.003 0.000 0.291 40 R C -2.111 174.369 176.300 0.300 0.000 0.963 40 R CA -0.619 55.615 56.100 0.223 0.000 0.901 40 R CB 1.195 31.471 30.300 -0.040 0.000 1.160 40 R HN 0.720 nan 8.270 nan 0.000 0.457 41 Y N 5.202 125.529 120.300 0.046 0.000 2.335 41 Y HA 0.429 4.977 4.550 -0.003 0.000 0.338 41 Y C -0.839 174.919 175.900 -0.236 0.000 0.977 41 Y CA -0.964 57.043 58.100 -0.156 0.000 1.114 41 Y CB 1.239 39.438 38.460 -0.435 0.000 1.182 41 Y HN 0.440 nan 8.280 nan 0.000 0.463 42 I N 8.262 128.428 120.570 -0.674 0.000 2.359 42 I HA 0.165 4.333 4.170 -0.003 0.000 0.284 42 I C -0.745 175.164 176.117 -0.347 0.000 1.018 42 I CA -0.780 60.145 61.300 -0.625 0.000 1.173 42 I CB 0.921 38.493 38.000 -0.713 0.000 1.326 42 I HN 0.512 nan 8.210 nan 0.000 0.462 43 L N 6.804 128.123 121.223 0.160 0.000 2.349 43 L HA 0.699 5.037 4.340 -0.003 0.000 0.275 43 L C 0.077 177.183 176.870 0.393 0.000 1.115 43 L CA 0.306 55.365 54.840 0.365 0.000 0.820 43 L CB 1.073 43.502 42.059 0.617 0.000 1.135 43 L HN 0.705 nan 8.230 nan 0.000 0.445 44 A N 4.897 127.872 122.820 0.260 0.000 2.423 44 A HA 0.591 4.909 4.320 -0.003 0.000 0.304 44 A C 0.294 177.943 177.584 0.108 0.000 1.104 44 A CA -0.635 51.540 52.037 0.230 0.000 0.757 44 A CB 1.130 20.219 19.000 0.148 0.000 1.313 44 A HN 0.837 nan 8.150 nan 0.000 0.423 45 L N -0.274 120.955 121.223 0.009 0.000 2.509 45 L HA 0.173 4.511 4.340 -0.003 0.000 0.222 45 L C 0.879 177.715 176.870 -0.057 0.000 1.123 45 L CA 0.751 55.520 54.840 -0.118 0.000 0.856 45 L CB 0.078 41.967 42.059 -0.284 0.000 0.985 45 L HN 0.701 nan 8.230 nan 0.000 0.456 46 Q N -0.508 119.285 119.800 -0.012 0.000 2.418 46 Q HA 0.141 4.479 4.340 -0.003 0.000 0.282 46 Q C -0.426 175.596 176.000 0.036 0.000 1.044 46 Q CA -0.257 55.553 55.803 0.012 0.000 0.813 46 Q CB 2.409 31.151 28.738 0.007 0.000 1.428 46 Q HN -0.016 nan 8.270 nan 0.000 0.402 47 E N 0.904 121.133 120.200 0.048 0.000 2.208 47 E HA -0.024 4.324 4.350 -0.003 0.000 0.193 47 E C 1.468 178.097 176.600 0.048 0.000 0.988 47 E CA 1.298 57.733 56.400 0.058 0.000 0.828 47 E CB 0.073 29.815 29.700 0.069 0.000 0.763 47 E HN 0.645 nan 8.360 nan 0.000 0.478 48 A N 0.244 123.091 122.820 0.046 0.000 1.933 48 A HA -0.216 4.102 4.320 -0.003 0.000 0.218 48 A C 2.228 179.833 177.584 0.036 0.000 1.175 48 A CA 1.385 53.450 52.037 0.047 0.000 0.628 48 A CB -0.858 18.180 19.000 0.062 0.000 0.814 48 A HN 0.419 nan 8.150 nan 0.000 0.444 49 C N -1.481 117.837 119.300 0.030 0.000 2.466 49 C HA -0.003 4.455 4.460 -0.003 0.000 0.278 49 C C 2.661 177.660 174.990 0.015 0.000 1.288 49 C CA 0.676 59.704 59.018 0.017 0.000 1.722 49 C CB -1.286 26.464 27.740 0.017 0.000 2.017 49 C HN 0.444 nan 8.230 nan 0.000 0.488 50 V N 1.211 121.148 119.914 0.038 0.000 2.252 50 V HA -0.230 3.889 4.120 -0.003 0.000 0.249 50 V C 2.462 178.550 176.094 -0.009 0.000 1.056 50 V CA 2.363 64.692 62.300 0.048 0.000 1.022 50 V CB -0.791 31.077 31.823 0.074 0.000 0.641 50 V HN 0.471 nan 8.190 nan 0.000 0.445 51 V N 0.648 120.561 119.914 -0.001 0.000 2.427 51 V HA -0.115 4.003 4.120 -0.003 0.000 0.248 51 V C 2.623 178.686 176.094 -0.053 0.000 1.051 51 V CA 1.958 64.246 62.300 -0.020 0.000 1.048 51 V CB -1.351 30.486 31.823 0.024 0.000 0.666 51 V HN 0.616 nan 8.190 nan 0.000 0.456 52 G N 0.148 108.926 108.800 -0.037 0.000 2.440 52 G HA2 -0.234 3.724 3.960 -0.003 0.000 0.218 52 G HA3 -0.234 3.724 3.960 -0.003 0.000 0.218 52 G C 1.579 176.360 174.900 -0.197 0.000 1.154 52 G CA 1.129 46.179 45.100 -0.083 0.000 0.767 52 G HN 0.484 nan 8.290 nan 0.000 0.552 53 I N 1.399 121.856 120.570 -0.188 0.000 2.142 53 I HA -0.183 3.985 4.170 -0.003 0.000 0.240 53 I C 3.315 179.136 176.117 -0.494 0.000 1.078 53 I CA 1.082 62.235 61.300 -0.245 0.000 1.343 53 I CB -0.276 37.656 38.000 -0.113 0.000 1.046 53 I HN 0.240 nan 8.210 nan 0.000 0.405 54 A N 0.196 122.580 122.820 -0.728 0.000 1.940 54 A HA -0.295 4.023 4.320 -0.003 0.000 0.219 54 A C 2.055 179.405 177.584 -0.390 0.000 1.176 54 A CA 2.248 53.663 52.037 -1.036 0.000 0.631 54 A CB -0.655 17.930 19.000 -0.693 0.000 0.814 54 A HN 0.450 nan 8.150 nan 0.000 0.446 55 D N -0.403 119.875 120.400 -0.203 0.000 2.084 55 D HA -0.075 4.563 4.640 -0.003 0.000 0.194 55 D C 2.118 178.377 176.300 -0.069 0.000 0.990 55 D CA 1.731 55.707 54.000 -0.041 0.000 0.826 55 D CB -0.700 40.160 40.800 0.099 0.000 0.971 55 D HN 0.290 nan 8.370 nan 0.000 0.453 56 G N -0.878 107.814 108.800 -0.181 0.000 2.440 56 G HA2 -0.332 3.626 3.960 -0.003 0.000 0.218 56 G HA3 -0.332 3.626 3.960 -0.003 0.000 0.218 56 G C 1.708 176.474 174.900 -0.222 0.000 1.154 56 G CA 1.072 45.994 45.100 -0.297 0.000 0.767 56 G HN 0.386 nan 8.290 nan 0.000 0.552 57 Y N 1.925 122.062 120.300 -0.271 0.000 2.145 57 Y HA -0.022 4.526 4.550 -0.003 0.000 0.286 57 Y C 2.960 178.805 175.900 -0.092 0.000 1.145 57 Y CA 1.598 59.599 58.100 -0.166 0.000 1.148 57 Y CB -0.394 37.960 38.460 -0.176 0.000 0.981 57 Y HN 0.252 nan 8.280 nan 0.000 0.507 58 A N -0.010 122.792 122.820 -0.029 0.000 1.902 58 A HA -0.223 4.095 4.320 -0.003 0.000 0.217 58 A C 2.123 179.673 177.584 -0.057 0.000 1.181 58 A CA 1.861 53.882 52.037 -0.026 0.000 0.623 58 A CB -0.718 18.311 19.000 0.048 0.000 0.818 58 A HN 0.654 nan 8.150 nan 0.000 0.443 59 Q N -0.800 118.972 119.800 -0.047 0.000 2.084 59 Q HA -0.103 4.235 4.340 -0.003 0.000 0.202 59 Q C 2.430 178.452 176.000 0.036 0.000 0.978 59 Q CA 1.396 57.218 55.803 0.032 0.000 0.844 59 Q CB -0.328 28.455 28.738 0.075 0.000 0.898 59 Q HN 0.684 nan 8.270 nan 0.000 0.426 60 A N 1.009 123.765 122.820 -0.108 0.000 1.929 60 A HA -0.131 4.187 4.320 -0.003 0.000 0.216 60 A C 2.208 179.732 177.584 -0.101 0.000 1.176 60 A CA 1.563 53.569 52.037 -0.052 0.000 0.628 60 A CB -0.390 18.522 19.000 -0.146 0.000 0.816 60 A HN 0.424 nan 8.150 nan 0.000 0.444 61 S N -1.301 114.256 115.700 -0.239 0.000 2.489 61 S HA 0.016 4.484 4.470 -0.003 0.000 0.228 61 S C 0.873 175.405 174.600 -0.114 0.000 0.995 61 S CA 0.509 58.557 58.200 -0.253 0.000 0.934 61 S CB -0.331 62.565 63.200 -0.507 0.000 0.771 61 S HN 0.522 nan 8.310 nan 0.000 0.522 62 R N 1.058 121.522 120.500 -0.060 0.000 3.422 62 R HA -0.167 4.172 4.340 -0.003 0.000 0.267 62 R C -0.492 175.806 176.300 -0.003 0.000 1.074 62 R CA 1.256 57.352 56.100 -0.007 0.000 0.718 62 R CB -2.170 28.135 30.300 0.009 0.000 1.157 62 R HN 0.874 nan 8.270 nan 0.000 0.440 63 K N -1.836 118.560 120.400 -0.006 0.000 2.555 63 K HA 0.585 4.903 4.320 -0.003 0.000 0.279 63 K C -3.198 173.443 176.600 0.069 0.000 0.986 63 K CA -2.216 54.089 56.287 0.030 0.000 0.880 63 K CB 2.360 34.878 32.500 0.029 0.000 1.474 63 K HN -0.311 nan 8.250 nan 0.000 0.433 64 P HA 0.112 nan 4.420 nan 0.000 0.269 64 P C -1.185 176.250 177.300 0.225 0.000 1.209 64 P CA -0.254 62.930 63.100 0.140 0.000 0.776 64 P CB 0.910 32.690 31.700 0.133 0.000 0.876 65 A N 2.649 125.617 122.820 0.246 0.000 2.350 65 A HA 0.669 4.988 4.320 -0.003 0.000 0.324 65 A C -1.380 176.423 177.584 0.364 0.000 1.118 65 A CA -0.540 51.713 52.037 0.360 0.000 0.783 65 A CB 0.558 19.717 19.000 0.265 0.000 1.236 65 A HN 0.480 nan 8.150 nan 0.000 0.457 66 F N 2.112 122.256 119.950 0.323 0.000 2.436 66 F HA 0.749 5.274 4.527 -0.003 0.000 0.340 66 F C -0.681 175.311 175.800 0.319 0.000 1.113 66 F CA -0.727 57.438 58.000 0.275 0.000 1.022 66 F CB 0.990 40.149 39.000 0.265 0.000 1.128 66 F HN 0.423 nan 8.300 nan 0.000 0.466 67 I N 4.794 125.183 120.570 -0.302 0.000 2.569 67 I HA 0.328 4.496 4.170 -0.003 0.000 0.296 67 I C -1.167 174.792 176.117 -0.262 0.000 1.028 67 I CA -0.836 60.409 61.300 -0.091 0.000 1.082 67 I CB 2.205 40.186 38.000 -0.030 0.000 1.264 67 I HN 0.549 nan 8.210 nan 0.000 0.429 68 N N 6.192 124.916 118.700 0.039 0.000 2.448 68 N HA 0.644 5.382 4.740 -0.003 0.000 0.279 68 N C -1.655 173.949 175.510 0.155 0.000 1.025 68 N CA -0.332 52.785 53.050 0.112 0.000 0.898 68 N CB 1.115 39.840 38.487 0.397 0.000 1.303 68 N HN 0.454 nan 8.380 nan 0.000 0.495 69 L N 1.141 122.436 121.223 0.120 0.000 2.303 69 L HA 0.476 4.814 4.340 -0.003 0.000 0.266 69 L C -0.431 176.557 176.870 0.198 0.000 1.011 69 L CA -1.238 53.698 54.840 0.160 0.000 0.818 69 L CB 1.491 43.632 42.059 0.137 0.000 1.326 69 L HN 0.573 nan 8.230 nan 0.000 0.435 70 H N 0.668 119.801 119.070 0.105 0.000 2.741 70 H HA 0.328 4.883 4.556 -0.003 0.000 0.282 70 H C 0.325 175.710 175.328 0.095 0.000 1.122 70 H CA 0.840 56.947 56.048 0.099 0.000 1.293 70 H CB 0.546 30.359 29.762 0.084 0.000 1.415 70 H HN 0.703 nan 8.280 nan 0.000 0.472 71 S N 2.893 118.452 115.700 -0.236 0.000 3.144 71 S HA -0.373 4.095 4.470 -0.003 0.000 0.629 71 S C 1.739 176.297 174.600 -0.070 0.000 2.962 71 S CA 1.612 59.678 58.200 -0.225 0.000 3.700 71 S CB -1.350 61.570 63.200 -0.468 0.000 0.286 71 S HN 1.076 nan 8.310 nan 0.000 1.464 72 A N 0.291 123.068 122.820 -0.072 0.000 1.897 72 A HA 0.383 4.701 4.320 -0.003 0.000 0.215 72 A C 2.589 180.166 177.584 -0.011 0.000 1.181 72 A CA 2.286 54.311 52.037 -0.021 0.000 0.620 72 A CB -1.399 17.586 19.000 -0.026 0.000 0.821 72 A HN 1.671 nan 8.150 nan 0.000 0.443 73 A N -0.395 122.419 122.820 -0.010 0.000 1.898 73 A HA 0.170 4.488 4.320 -0.003 0.000 0.216 73 A C 2.368 179.984 177.584 0.053 0.000 1.181 73 A CA 1.826 53.880 52.037 0.029 0.000 0.620 73 A CB -1.286 17.749 19.000 0.060 0.000 0.819 73 A HN 0.659 nan 8.150 nan 0.000 0.442 74 G N -1.032 107.816 108.800 0.079 0.000 2.404 74 G HA2 -0.128 3.830 3.960 -0.003 0.000 0.215 74 G HA3 -0.128 3.830 3.960 -0.003 0.000 0.215 74 G C 1.581 176.529 174.900 0.081 0.000 1.174 74 G CA 1.626 46.790 45.100 0.108 0.000 0.780 74 G HN 0.415 nan 8.290 nan 0.000 0.537 75 T N 1.085 115.684 114.554 0.076 0.000 2.684 75 T HA -0.074 4.275 4.350 -0.003 0.000 0.267 75 T C 2.499 177.196 174.700 -0.006 0.000 1.036 75 T CA 1.576 63.710 62.100 0.057 0.000 1.148 75 T CB -0.691 68.215 68.868 0.064 0.000 0.863 75 T HN 0.355 nan 8.240 nan 0.000 0.436 76 G N 2.063 110.855 108.800 -0.012 0.000 2.440 76 G HA2 -0.274 3.685 3.960 -0.003 0.000 0.218 76 G HA3 -0.274 3.685 3.960 -0.003 0.000 0.218 76 G C 1.618 176.516 174.900 -0.002 0.000 1.154 76 G CA 0.743 45.829 45.100 -0.023 0.000 0.767 76 G HN 0.390 nan 8.290 nan 0.000 0.552 77 N N 1.054 119.766 118.700 0.020 0.000 2.364 77 N HA -0.029 4.709 4.740 -0.003 0.000 0.183 77 N C 2.016 177.545 175.510 0.031 0.000 1.022 77 N CA 1.027 54.096 53.050 0.031 0.000 0.883 77 N CB -0.202 38.311 38.487 0.043 0.000 0.965 77 N HN 0.351 nan 8.380 nan 0.000 0.438 78 A N -0.424 122.412 122.820 0.026 0.000 2.275 78 A HA 0.198 4.516 4.320 -0.003 0.000 0.212 78 A C 1.948 179.538 177.584 0.009 0.000 1.201 78 A CA -0.093 51.960 52.037 0.027 0.000 0.843 78 A CB -0.146 18.877 19.000 0.039 0.000 0.873 78 A HN 0.127 nan 8.150 nan 0.000 0.492 79 M N -0.689 118.903 119.600 -0.012 0.000 2.319 79 M HA -0.041 4.438 4.480 -0.003 0.000 0.265 79 M C 2.232 178.517 176.300 -0.025 0.000 1.068 79 M CA 1.264 56.542 55.300 -0.036 0.000 1.118 79 M CB -0.278 32.282 32.600 -0.065 0.000 1.395 79 M HN 0.525 nan 8.290 nan 0.000 0.435 80 G N 0.280 109.075 108.800 -0.008 0.000 2.418 80 G HA2 -0.150 3.809 3.960 -0.003 0.000 0.217 80 G HA3 -0.150 3.809 3.960 -0.003 0.000 0.217 80 G C 1.627 176.527 174.900 0.001 0.000 1.158 80 G CA 0.962 46.057 45.100 -0.009 0.000 0.771 80 G HN 0.523 nan 8.290 nan 0.000 0.545 81 A N 0.542 123.377 122.820 0.026 0.000 1.933 81 A HA 0.121 4.440 4.320 -0.003 0.000 0.218 81 A C 2.407 180.021 177.584 0.051 0.000 1.175 81 A CA 1.143 53.213 52.037 0.054 0.000 0.628 81 A CB -0.363 18.675 19.000 0.064 0.000 0.814 81 A HN 0.356 nan 8.150 nan 0.000 0.444 82 L N 0.489 121.733 121.223 0.036 0.000 2.131 82 L HA -0.180 4.158 4.340 -0.003 0.000 0.210 82 L C 3.020 179.931 176.870 0.067 0.000 1.092 82 L CA 1.417 56.289 54.840 0.052 0.000 0.759 82 L CB -0.511 41.562 42.059 0.022 0.000 0.903 82 L HN 0.648 nan 8.230 nan 0.000 0.435 83 S N -0.089 115.623 115.700 0.020 0.000 2.368 83 S HA -0.198 4.271 4.470 -0.003 0.000 0.225 83 S C 1.816 176.442 174.600 0.042 0.000 1.030 83 S CA 1.377 59.589 58.200 0.019 0.000 0.999 83 S CB -0.445 62.734 63.200 -0.034 0.000 0.844 83 S HN 0.427 nan 8.310 nan 0.000 0.459 84 N N 2.641 121.329 118.700 -0.019 0.000 2.084 84 N HA 0.033 4.771 4.740 -0.003 0.000 0.190 84 N C 2.092 177.570 175.510 -0.055 0.000 1.030 84 N CA 1.562 54.548 53.050 -0.106 0.000 0.849 84 N CB -1.034 37.321 38.487 -0.220 0.000 1.012 84 N HN 0.632 nan 8.380 nan 0.000 0.423 85 A N 1.375 124.213 122.820 0.030 0.000 1.940 85 A HA -0.172 4.146 4.320 -0.003 0.000 0.219 85 A C 2.067 179.703 177.584 0.087 0.000 1.176 85 A CA 1.081 53.156 52.037 0.064 0.000 0.631 85 A CB -1.064 17.997 19.000 0.102 0.000 0.814 85 A HN 0.600 nan 8.150 nan 0.000 0.446 86 W N 1.058 122.334 121.300 -0.039 0.000 2.355 86 W HA -0.207 4.451 4.660 -0.003 0.000 0.309 86 W C 1.455 177.908 176.519 -0.111 0.000 1.206 86 W CA 2.051 59.375 57.345 -0.035 0.000 1.284 86 W CB -0.438 29.003 29.460 -0.032 0.000 1.145 86 W HN 0.404 nan 8.180 nan 0.000 0.502 87 N N 0.345 119.030 118.700 -0.025 0.000 2.309 87 N HA -0.147 4.591 4.740 -0.003 0.000 0.182 87 N C 1.784 177.085 175.510 -0.349 0.000 1.018 87 N CA 2.031 54.964 53.050 -0.196 0.000 0.876 87 N CB -0.511 37.942 38.487 -0.056 0.000 0.972 87 N HN 0.135 nan 8.380 nan 0.000 0.434 88 S N -1.385 114.172 115.700 -0.239 0.000 2.575 88 S HA 0.070 4.539 4.470 -0.003 0.000 0.215 88 S C -0.126 174.411 174.600 -0.105 0.000 0.966 88 S CA -0.267 57.837 58.200 -0.161 0.000 0.911 88 S CB -0.601 62.560 63.200 -0.064 0.000 0.780 88 S HN 0.412 nan 8.310 nan 0.000 0.514 89 H N 0.747 119.736 119.070 -0.135 0.000 2.770 89 H HA -0.129 4.425 4.556 -0.003 0.000 0.309 89 H C -0.621 174.673 175.328 -0.057 0.000 1.206 89 H CA 0.404 56.362 56.048 -0.150 0.000 1.147 89 H CB -2.171 27.511 29.762 -0.133 0.000 1.422 89 H HN 0.354 nan 8.280 nan 0.000 0.420 90 S N 2.318 118.058 115.700 0.067 0.000 2.499 90 S HA 0.143 4.611 4.470 -0.003 0.000 0.275 90 S C -1.862 172.786 174.600 0.080 0.000 1.257 90 S CA -1.054 57.192 58.200 0.077 0.000 1.050 90 S CB 0.980 64.225 63.200 0.075 0.000 0.937 90 S HN 0.194 nan 8.310 nan 0.000 0.490 91 P HA 0.218 nan 4.420 nan 0.000 0.260 91 P C -1.080 176.279 177.300 0.099 0.000 1.651 91 P CA -0.014 63.135 63.100 0.082 0.000 1.139 91 P CB -0.220 31.521 31.700 0.069 0.000 1.756 92 L N 4.412 125.699 121.223 0.106 0.000 2.313 92 L HA 0.501 4.839 4.340 -0.003 0.000 0.283 92 L C 0.578 177.512 176.870 0.106 0.000 1.013 92 L CA -0.985 53.916 54.840 0.102 0.000 0.816 92 L CB 1.888 43.997 42.059 0.083 0.000 1.236 92 L HN 0.139 nan 8.230 nan 0.000 0.419 93 I N 4.142 124.764 120.570 0.087 0.000 2.307 93 I HA 0.194 4.362 4.170 -0.003 0.000 0.287 93 I C -0.275 175.759 176.117 -0.138 0.000 1.054 93 I CA -0.436 60.888 61.300 0.040 0.000 1.218 93 I CB 1.268 39.344 38.000 0.126 0.000 1.398 93 I HN 0.234 nan 8.210 nan 0.000 0.475 94 V N 5.407 125.297 119.914 -0.040 0.000 2.348 94 V HA 0.308 4.426 4.120 -0.003 0.000 0.270 94 V C 0.586 176.574 176.094 -0.176 0.000 1.037 94 V CA -0.443 61.822 62.300 -0.058 0.000 0.872 94 V CB 1.089 33.011 31.823 0.166 0.000 1.002 94 V HN 0.796 nan 8.190 nan 0.000 0.464 95 T N 2.322 116.678 114.554 -0.329 0.000 2.895 95 T HA 0.875 5.224 4.350 -0.003 0.000 0.283 95 T C -0.359 174.209 174.700 -0.219 0.000 1.014 95 T CA -0.515 61.386 62.100 -0.331 0.000 1.037 95 T CB 2.031 70.698 68.868 -0.335 0.000 1.006 95 T HN 0.995 nan 8.240 nan 0.000 0.468 96 A N 1.558 124.223 122.820 -0.259 0.000 2.422 96 A HA 0.847 5.165 4.320 -0.003 0.000 0.302 96 A C 0.261 177.822 177.584 -0.039 0.000 1.041 96 A CA -0.699 51.283 52.037 -0.092 0.000 0.708 96 A CB 1.339 20.319 19.000 -0.033 0.000 1.257 96 A HN 1.332 nan 8.150 nan 0.000 0.414 97 G N 0.374 109.221 108.800 0.077 0.000 2.403 97 G HA2 0.484 4.442 3.960 -0.003 0.000 0.259 97 G HA3 0.484 4.442 3.960 -0.003 0.000 0.259 97 G C -0.223 174.732 174.900 0.091 0.000 1.244 97 G CA -0.049 45.147 45.100 0.160 0.000 0.849 97 G HN 0.852 nan 8.290 nan 0.000 0.532 98 Q N 0.409 120.272 119.800 0.105 0.000 2.297 98 Q HA 0.336 4.675 4.340 -0.003 0.000 0.269 98 Q C 0.245 176.318 176.000 0.121 0.000 1.051 98 Q CA -0.687 55.145 55.803 0.049 0.000 0.869 98 Q CB 1.117 29.838 28.738 -0.029 0.000 1.346 98 Q HN 0.487 nan 8.270 nan 0.000 0.457 99 Q N 0.487 120.330 119.800 0.070 0.000 2.479 99 Q HA 0.040 4.378 4.340 -0.003 0.000 0.267 99 Q C -0.449 175.434 176.000 -0.195 0.000 1.071 99 Q CA 0.394 56.234 55.803 0.061 0.000 0.935 99 Q CB 0.573 29.332 28.738 0.035 0.000 1.295 99 Q HN 0.845 nan 8.270 nan 0.000 0.476 100 T N 0.996 115.215 114.554 -0.558 0.000 2.946 100 T HA -0.022 4.327 4.350 -0.003 0.000 0.311 100 T C 1.383 175.903 174.700 -0.299 0.000 1.063 100 T CA 0.163 61.843 62.100 -0.700 0.000 1.139 100 T CB 0.364 68.714 68.868 -0.863 0.000 0.994 100 T HN 0.497 nan 8.240 nan 0.000 0.547 101 R N 3.084 123.440 120.500 -0.239 0.000 2.139 101 R HA -0.124 4.215 4.340 -0.003 0.000 0.243 101 R C 2.518 178.752 176.300 -0.111 0.000 1.145 101 R CA 1.467 57.478 56.100 -0.149 0.000 0.976 101 R CB -0.510 29.714 30.300 -0.127 0.000 0.866 101 R HN 0.740 nan 8.270 nan 0.000 0.449 102 A N 0.213 122.967 122.820 -0.109 0.000 2.172 102 A HA -0.049 4.269 4.320 -0.003 0.000 0.216 102 A C 1.688 179.241 177.584 -0.052 0.000 1.154 102 A CA 1.004 53.001 52.037 -0.067 0.000 0.701 102 A CB 0.066 19.035 19.000 -0.052 0.000 0.789 102 A HN 0.117 nan 8.150 nan 0.000 0.465 103 M N -1.315 118.248 119.600 -0.063 0.000 2.313 103 M HA 0.331 4.810 4.480 -0.003 0.000 0.273 103 M C 1.374 177.656 176.300 -0.030 0.000 1.049 103 M CA 0.184 55.465 55.300 -0.032 0.000 1.004 103 M CB -0.490 32.105 32.600 -0.009 0.000 1.461 103 M HN 0.344 nan 8.290 nan 0.000 0.514 104 I N 0.298 120.839 120.570 -0.049 0.000 2.252 104 I HA -0.158 4.010 4.170 -0.003 0.000 0.245 104 I C 2.460 178.557 176.117 -0.033 0.000 1.102 104 I CA 1.475 62.749 61.300 -0.044 0.000 1.385 104 I CB -0.593 37.369 38.000 -0.063 0.000 1.064 104 I HN 0.342 nan 8.210 nan 0.000 0.414 105 G N 0.087 108.867 108.800 -0.033 0.000 2.440 105 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.218 105 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.218 105 G C 1.697 176.586 174.900 -0.018 0.000 1.154 105 G CA 0.920 46.004 45.100 -0.026 0.000 0.767 105 G HN 0.310 nan 8.290 nan 0.000 0.552 106 V N 0.397 120.303 119.914 -0.014 0.000 3.380 106 V HA 0.111 4.229 4.120 -0.003 0.000 0.268 106 V C 0.764 176.855 176.094 -0.004 0.000 1.168 106 V CA 1.153 63.449 62.300 -0.007 0.000 1.156 106 V CB -0.774 31.048 31.823 -0.002 0.000 0.785 106 V HN 0.639 nan 8.190 nan 0.000 0.487 107 E N -0.093 120.103 120.200 -0.007 0.000 2.246 107 E HA -0.214 4.134 4.350 -0.003 0.000 0.211 107 E C 0.454 177.058 176.600 0.007 0.000 1.278 107 E CA 0.170 56.569 56.400 -0.003 0.000 0.694 107 E CB -1.557 28.139 29.700 -0.006 0.000 1.166 107 E HN 0.775 nan 8.360 nan 0.000 0.370 108 A N 0.796 123.624 122.820 0.014 0.000 2.492 108 A HA 0.220 4.538 4.320 -0.003 0.000 0.236 108 A C 0.548 178.154 177.584 0.036 0.000 1.078 108 A CA -0.132 51.922 52.037 0.029 0.000 0.773 108 A CB 0.338 19.363 19.000 0.041 0.000 1.023 108 A HN 0.383 nan 8.150 nan 0.000 0.504 109 L N 1.155 122.404 121.223 0.044 0.000 2.593 109 L HA 0.042 4.380 4.340 -0.003 0.000 0.287 109 L C 0.869 177.781 176.870 0.069 0.000 1.243 109 L CA 1.535 56.406 54.840 0.052 0.000 0.890 109 L CB -0.354 41.740 42.059 0.057 0.000 1.134 109 L HN 0.744 nan 8.230 nan 0.000 0.502 110 L N 1.578 122.835 121.223 0.056 0.000 4.950 110 L HA -0.224 4.114 4.340 -0.003 0.000 0.413 110 L C 0.365 177.240 176.870 0.008 0.000 1.020 110 L CA 0.409 55.271 54.840 0.037 0.000 1.239 110 L CB -2.649 39.482 42.059 0.120 0.000 2.004 110 L HN 0.744 nan 8.230 nan 0.000 0.658 111 T N 1.093 115.655 114.554 0.014 0.000 2.834 111 T HA 0.142 4.490 4.350 -0.003 0.000 0.298 111 T C 0.657 175.346 174.700 -0.019 0.000 0.966 111 T CA 0.058 62.157 62.100 -0.002 0.000 1.141 111 T CB 0.916 69.781 68.868 -0.004 0.000 0.905 111 T HN 0.162 nan 8.240 nan 0.000 0.535 112 N N 3.879 122.564 118.700 -0.025 0.000 2.521 112 N HA 0.145 4.884 4.740 -0.003 0.000 0.236 112 N C -0.602 174.895 175.510 -0.022 0.000 1.067 112 N CA -0.303 52.734 53.050 -0.021 0.000 0.939 112 N CB 0.291 38.775 38.487 -0.005 0.000 1.201 112 N HN 0.273 nan 8.380 nan 0.000 0.511 113 V N 3.327 123.226 119.914 -0.024 0.000 2.555 113 V HA 0.047 4.165 4.120 -0.003 0.000 0.286 113 V C 0.745 176.819 176.094 -0.033 0.000 1.044 113 V CA -0.269 62.014 62.300 -0.029 0.000 1.026 113 V CB 0.737 32.544 31.823 -0.026 0.000 0.981 113 V HN 0.746 nan 8.190 nan 0.000 0.480 114 D N 3.389 123.765 120.400 -0.040 0.000 2.689 114 D HA -0.241 4.397 4.640 -0.003 0.000 0.237 114 D C 1.286 177.561 176.300 -0.042 0.000 1.148 114 D CA 0.935 54.907 54.000 -0.046 0.000 0.656 114 D CB -0.600 40.173 40.800 -0.044 0.000 1.050 114 D HN 0.807 nan 8.370 nan 0.000 0.426 115 A N 0.494 123.296 122.820 -0.029 0.000 1.892 115 A HA -0.007 4.311 4.320 -0.003 0.000 0.218 115 A C 2.510 180.132 177.584 0.063 0.000 1.188 115 A CA 2.695 54.750 52.037 0.029 0.000 0.631 115 A CB -0.796 18.224 19.000 0.034 0.000 0.822 115 A HN 0.835 nan 8.150 nan 0.000 0.447 116 A N -0.474 122.346 122.820 0.001 0.000 2.070 116 A HA -0.152 4.166 4.320 -0.003 0.000 0.220 116 A C 1.814 179.361 177.584 -0.062 0.000 1.159 116 A CA 1.657 53.690 52.037 -0.007 0.000 0.656 116 A CB -0.521 18.425 19.000 -0.090 0.000 0.800 116 A HN 0.544 nan 8.150 nan 0.000 0.453 117 N N -0.523 118.132 118.700 -0.075 0.000 2.446 117 N HA -0.040 4.698 4.740 -0.003 0.000 0.179 117 N C 1.470 176.899 175.510 -0.136 0.000 1.054 117 N CA 0.711 53.703 53.050 -0.096 0.000 0.905 117 N CB -0.274 38.169 38.487 -0.075 0.000 0.973 117 N HN 0.438 nan 8.380 nan 0.000 0.448 118 L N 2.586 123.714 121.223 -0.159 0.000 1.989 118 L HA -0.052 4.287 4.340 -0.003 0.000 0.211 118 L C -0.976 175.728 176.870 -0.276 0.000 1.071 118 L CA 2.077 56.797 54.840 -0.201 0.000 0.749 118 L CB -1.401 40.543 42.059 -0.191 0.000 0.890 118 L HN 0.105 nan 8.230 nan 0.000 0.431 119 P HA -0.049 nan 4.420 nan 0.000 0.245 119 P C -0.103 177.041 177.300 -0.260 0.000 1.206 119 P CA 0.310 63.178 63.100 -0.386 0.000 0.781 119 P CB -0.075 31.263 31.700 -0.603 0.000 0.994 120 R N 1.966 122.333 120.500 -0.222 0.000 2.643 120 R HA 0.158 4.496 4.340 -0.003 0.000 0.270 120 R C -1.378 174.798 176.300 -0.207 0.000 1.061 120 R CA -0.985 54.995 56.100 -0.199 0.000 1.107 120 R CB -0.178 30.032 30.300 -0.150 0.000 0.999 120 R HN 0.101 nan 8.270 nan 0.000 0.460 121 P HA 0.102 nan 4.420 nan 0.000 0.254 121 P C 0.125 177.054 177.300 -0.618 0.000 1.494 121 P CA 0.325 63.209 63.100 -0.360 0.000 0.961 121 P CB 0.301 31.798 31.700 -0.338 0.000 1.493 122 L N -0.176 120.772 121.223 -0.459 0.000 2.653 122 L HA 0.172 4.511 4.340 -0.003 0.000 0.231 122 L C 0.819 177.620 176.870 -0.114 0.000 1.153 122 L CA -0.226 54.344 54.840 -0.450 0.000 0.933 122 L CB 0.169 42.101 42.059 -0.212 0.000 1.175 122 L HN -0.105 nan 8.230 nan 0.000 0.473 123 V N -5.058 114.804 119.914 -0.087 0.000 2.962 123 V HA 0.381 4.499 4.120 -0.003 0.000 0.313 123 V C 0.629 176.950 176.094 0.378 0.000 1.099 123 V CA -1.015 61.423 62.300 0.230 0.000 0.971 123 V CB 2.186 34.092 31.823 0.139 0.000 1.028 123 V HN 0.029 nan 8.190 nan 0.000 0.430 124 K N 0.802 121.509 120.400 0.511 0.000 2.228 124 K HA 0.131 4.450 4.320 -0.003 0.000 0.202 124 K C -0.323 176.530 176.600 0.421 0.000 1.051 124 K CA 1.401 57.967 56.287 0.466 0.000 0.960 124 K CB 0.195 32.895 32.500 0.333 0.000 0.743 124 K HN 0.749 nan 8.250 nan 0.000 0.458 125 W N -0.319 121.074 121.300 0.156 0.000 3.571 125 W HA 0.306 4.964 4.660 -0.003 0.000 0.294 125 W C -1.774 174.836 176.519 0.151 0.000 1.257 125 W CA -0.624 56.791 57.345 0.117 0.000 1.206 125 W CB 1.751 31.256 29.460 0.074 0.000 1.325 125 W HN -0.344 nan 8.180 nan 0.000 0.546 126 S N 4.795 120.199 115.700 -0.494 0.000 2.572 126 S HA 0.731 5.199 4.470 -0.003 0.000 0.274 126 S C -2.308 171.965 174.600 -0.545 0.000 1.150 126 S CA -0.344 57.657 58.200 -0.332 0.000 0.944 126 S CB 0.780 63.934 63.200 -0.077 0.000 1.071 126 S HN 0.553 nan 8.310 nan 0.000 0.479 127 Y N 2.107 122.011 120.300 -0.661 0.000 2.558 127 Y HA 0.527 5.075 4.550 -0.003 0.000 0.333 127 Y C -1.401 174.287 175.900 -0.354 0.000 1.125 127 Y CA -0.663 57.053 58.100 -0.640 0.000 1.039 127 Y CB 1.597 39.359 38.460 -1.162 0.000 1.331 127 Y HN 0.718 nan 8.280 nan 0.000 0.456 128 E N 6.418 126.131 120.200 -0.813 0.000 2.218 128 E HA 0.518 4.866 4.350 -0.003 0.000 0.263 128 E C -2.860 173.190 176.600 -0.915 0.000 0.879 128 E CA -2.517 53.504 56.400 -0.632 0.000 0.762 128 E CB 1.890 31.362 29.700 -0.380 0.000 1.166 128 E HN 0.305 nan 8.360 nan 0.000 0.415 129 P HA 0.090 nan 4.420 nan 0.000 0.272 129 P C -0.313 176.858 177.300 -0.214 0.000 1.223 129 P CA 0.011 62.954 63.100 -0.261 0.000 0.784 129 P CB 1.103 32.789 31.700 -0.023 0.000 0.923 130 A N 1.276 124.038 122.820 -0.096 0.000 2.208 130 A HA 0.232 4.550 4.320 -0.003 0.000 0.209 130 A C 0.644 178.196 177.584 -0.053 0.000 1.161 130 A CA 1.041 53.035 52.037 -0.072 0.000 0.782 130 A CB -0.581 18.411 19.000 -0.014 0.000 0.816 130 A HN 0.629 nan 8.150 nan 0.000 0.477 131 S N -4.019 111.654 115.700 -0.044 0.000 2.587 131 S HA 0.613 5.081 4.470 -0.003 0.000 0.269 131 S C 0.647 175.210 174.600 -0.062 0.000 1.154 131 S CA -0.034 58.139 58.200 -0.046 0.000 0.824 131 S CB 1.007 64.199 63.200 -0.014 0.000 1.118 131 S HN 0.948 nan 8.310 nan 0.000 0.462 132 A N 1.496 124.270 122.820 -0.076 0.000 1.902 132 A HA 0.249 4.567 4.320 -0.003 0.000 0.217 132 A C 2.287 179.836 177.584 -0.058 0.000 1.181 132 A CA 2.074 54.048 52.037 -0.104 0.000 0.623 132 A CB -1.593 17.356 19.000 -0.085 0.000 0.818 132 A HN 1.752 nan 8.150 nan 0.000 0.443 133 A N -0.737 122.076 122.820 -0.012 0.000 2.125 133 A HA -0.133 4.185 4.320 -0.003 0.000 0.219 133 A C 1.912 179.523 177.584 0.044 0.000 1.156 133 A CA 1.575 53.624 52.037 0.021 0.000 0.671 133 A CB -0.439 18.576 19.000 0.026 0.000 0.794 133 A HN 0.679 nan 8.150 nan 0.000 0.459 134 E N -0.125 120.106 120.200 0.051 0.000 2.358 134 E HA -0.035 4.314 4.350 -0.003 0.000 0.195 134 E C 1.558 178.232 176.600 0.122 0.000 1.010 134 E CA 0.618 57.090 56.400 0.120 0.000 0.856 134 E CB -0.048 29.740 29.700 0.147 0.000 0.795 134 E HN 0.363 nan 8.360 nan 0.000 0.504 135 V N 1.725 121.656 119.914 0.029 0.000 2.287 135 V HA -0.214 3.904 4.120 -0.003 0.000 0.248 135 V C -0.771 175.373 176.094 0.084 0.000 1.053 135 V CA 2.184 64.476 62.300 -0.015 0.000 1.027 135 V CB -1.307 30.372 31.823 -0.240 0.000 0.646 135 V HN 0.302 nan 8.190 nan 0.000 0.447 136 P HA -0.187 nan 4.420 nan 0.000 0.215 136 P C 1.690 179.106 177.300 0.194 0.000 1.153 136 P CA 1.643 64.847 63.100 0.174 0.000 0.853 136 P CB -0.212 31.593 31.700 0.174 0.000 0.788 137 H N -0.319 118.795 119.070 0.075 0.000 2.353 137 H HA -0.081 4.473 4.556 -0.003 0.000 0.300 137 H C 1.746 177.122 175.328 0.081 0.000 1.090 137 H CA 1.336 57.419 56.048 0.058 0.000 1.327 137 H CB -0.111 29.673 29.762 0.037 0.000 1.383 137 H HN -0.011 nan 8.280 nan 0.000 0.508 138 A N 0.899 123.754 122.820 0.058 0.000 1.933 138 A HA -0.177 4.141 4.320 -0.003 0.000 0.218 138 A C 2.386 180.072 177.584 0.169 0.000 1.175 138 A CA 1.574 53.686 52.037 0.126 0.000 0.628 138 A CB -0.602 18.605 19.000 0.345 0.000 0.814 138 A HN 0.494 nan 8.150 nan 0.000 0.444 139 M N -0.202 119.493 119.600 0.159 0.000 2.132 139 M HA -0.072 4.406 4.480 -0.003 0.000 0.263 139 M C 2.274 178.631 176.300 0.096 0.000 1.065 139 M CA 2.021 57.425 55.300 0.172 0.000 1.122 139 M CB -0.544 32.175 32.600 0.199 0.000 1.365 139 M HN 0.389 nan 8.290 nan 0.000 0.411 140 S N -0.118 115.624 115.700 0.070 0.000 2.359 140 S HA -0.185 4.283 4.470 -0.003 0.000 0.224 140 S C 2.055 176.621 174.600 -0.057 0.000 1.035 140 S CA 1.674 59.895 58.200 0.035 0.000 1.018 140 S CB -0.206 63.088 63.200 0.157 0.000 0.876 140 S HN 0.620 nan 8.310 nan 0.000 0.448 141 R N 0.720 121.107 120.500 -0.188 0.000 2.091 141 R HA -0.040 4.298 4.340 -0.003 0.000 0.238 141 R C 2.678 178.703 176.300 -0.457 0.000 1.136 141 R CA 1.398 57.213 56.100 -0.475 0.000 0.959 141 R CB -0.658 29.069 30.300 -0.954 0.000 0.856 141 R HN 0.515 nan 8.270 nan 0.000 0.437 142 A N 1.269 123.995 122.820 -0.156 0.000 1.877 142 A HA -0.154 4.164 4.320 -0.003 0.000 0.216 142 A C 2.180 179.780 177.584 0.027 0.000 1.186 142 A CA 1.293 53.398 52.037 0.114 0.000 0.620 142 A CB -0.525 18.660 19.000 0.309 0.000 0.822 142 A HN 0.184 nan 8.150 nan 0.000 0.443 143 I N -0.939 119.601 120.570 -0.049 0.000 2.163 143 I HA -0.298 3.870 4.170 -0.003 0.000 0.243 143 I C 2.497 178.492 176.117 -0.203 0.000 1.085 143 I CA 1.552 62.771 61.300 -0.135 0.000 1.347 143 I CB -0.531 37.305 38.000 -0.272 0.000 1.044 143 I HN 0.411 nan 8.210 nan 0.000 0.408 144 H N -0.267 118.775 119.070 -0.047 0.000 2.395 144 H HA -0.020 4.534 4.556 -0.003 0.000 0.299 144 H C 2.343 177.613 175.328 -0.097 0.000 1.070 144 H CA 1.105 57.103 56.048 -0.082 0.000 1.356 144 H CB -0.182 29.512 29.762 -0.114 0.000 1.401 144 H HN 0.250 nan 8.280 nan 0.000 0.524 145 M N 0.519 120.090 119.600 -0.048 0.000 2.159 145 M HA -0.063 4.415 4.480 -0.003 0.000 0.263 145 M C 2.523 178.843 176.300 0.035 0.000 1.063 145 M CA 1.051 56.320 55.300 -0.050 0.000 1.110 145 M CB -1.015 31.514 32.600 -0.119 0.000 1.374 145 M HN 0.218 nan 8.290 nan 0.000 0.411 146 A N -0.896 121.959 122.820 0.058 0.000 1.969 146 A HA -0.065 4.254 4.320 -0.003 0.000 0.218 146 A C 2.420 180.032 177.584 0.046 0.000 1.169 146 A CA 1.897 53.981 52.037 0.079 0.000 0.635 146 A CB -0.497 18.562 19.000 0.099 0.000 0.810 146 A HN 0.492 nan 8.150 nan 0.000 0.445 147 S N -0.880 114.839 115.700 0.033 0.000 2.470 147 S HA 0.243 4.711 4.470 -0.003 0.000 0.222 147 S C 0.817 175.419 174.600 0.004 0.000 1.024 147 S CA -0.035 58.180 58.200 0.026 0.000 0.931 147 S CB -0.153 63.068 63.200 0.036 0.000 0.791 147 S HN 0.528 nan 8.310 nan 0.000 0.513 148 M N 1.919 121.517 119.600 -0.003 0.000 2.238 148 M HA 0.297 4.775 4.480 -0.003 0.000 0.347 148 M C 0.309 176.575 176.300 -0.058 0.000 1.173 148 M CA -0.402 54.879 55.300 -0.032 0.000 1.147 148 M CB 0.463 33.041 32.600 -0.038 0.000 1.547 148 M HN 0.157 nan 8.290 nan 0.000 0.455 149 A N 4.963 127.737 122.820 -0.076 0.000 2.511 149 A HA 0.372 4.691 4.320 -0.003 0.000 0.242 149 A C -2.235 175.271 177.584 -0.130 0.000 1.069 149 A CA -1.074 50.890 52.037 -0.122 0.000 0.763 149 A CB -0.772 18.162 19.000 -0.110 0.000 1.001 149 A HN 0.507 nan 8.150 nan 0.000 0.498 150 P HA 0.156 nan 4.420 nan 0.000 0.282 150 P C -0.549 176.591 177.300 -0.266 0.000 1.262 150 P CA -0.141 62.736 63.100 -0.372 0.000 0.773 150 P CB 0.639 32.020 31.700 -0.532 0.000 0.879 151 Q N 1.125 120.798 119.800 -0.210 0.000 2.474 151 Q HA 0.498 4.836 4.340 -0.003 0.000 0.256 151 Q C 0.691 176.677 176.000 -0.023 0.000 1.048 151 Q CA 0.409 56.172 55.803 -0.067 0.000 0.922 151 Q CB 0.400 29.129 28.738 -0.015 0.000 1.288 151 Q HN 0.742 nan 8.270 nan 0.000 0.484 152 G N 0.880 109.695 108.800 0.026 0.000 2.356 152 G HA2 0.316 4.274 3.960 -0.003 0.000 0.294 152 G HA3 0.316 4.274 3.960 -0.003 0.000 0.294 152 G C -3.103 171.876 174.900 0.133 0.000 1.423 152 G CA -0.925 44.204 45.100 0.050 0.000 0.806 152 G HN 0.358 nan 8.290 nan 0.000 0.527 153 P HA 0.478 nan 4.420 nan 0.000 0.275 153 P C -0.016 177.438 177.300 0.256 0.000 1.228 153 P CA -0.222 63.003 63.100 0.207 0.000 0.786 153 P CB 1.622 33.447 31.700 0.208 0.000 0.927 154 V N 0.045 120.104 119.914 0.242 0.000 3.130 154 V HA 0.679 4.797 4.120 -0.003 0.000 0.310 154 V C -1.662 174.610 176.094 0.296 0.000 1.158 154 V CA -1.056 61.428 62.300 0.306 0.000 1.029 154 V CB 2.245 34.291 31.823 0.371 0.000 1.057 154 V HN 0.489 nan 8.190 nan 0.000 0.436 155 Y N 2.140 122.498 120.300 0.096 0.000 2.421 155 Y HA 0.834 5.383 4.550 -0.002 0.000 0.339 155 Y C -1.419 174.455 175.900 -0.045 0.000 0.996 155 Y CA -1.187 56.913 58.100 0.000 0.000 1.046 155 Y CB 2.080 40.513 38.460 -0.045 0.000 1.226 155 Y HN 0.922 nan 8.280 nan 0.000 0.445 156 L N 5.229 126.171 121.223 -0.467 0.000 2.406 156 L HA 0.617 4.955 4.340 -0.003 0.000 0.272 156 L C -1.140 175.381 176.870 -0.581 0.000 0.980 156 L CA -0.208 54.410 54.840 -0.371 0.000 0.831 156 L CB 1.955 43.973 42.059 -0.069 0.000 1.253 156 L HN 0.567 nan 8.230 nan 0.000 0.406 157 S N 4.188 119.594 115.700 -0.491 0.000 2.442 157 S HA 0.824 5.292 4.470 -0.003 0.000 0.297 157 S C -1.023 173.444 174.600 -0.222 0.000 1.131 157 S CA -0.439 57.542 58.200 -0.365 0.000 1.092 157 S CB 0.886 63.926 63.200 -0.265 0.000 0.998 157 S HN 0.462 nan 8.310 nan 0.000 0.478 158 V N 7.626 127.457 119.914 -0.138 0.000 2.482 158 V HA 0.414 4.533 4.120 -0.003 0.000 0.295 158 V C -2.458 173.592 176.094 -0.073 0.000 1.026 158 V CA -2.031 60.180 62.300 -0.149 0.000 0.856 158 V CB 1.545 33.264 31.823 -0.173 0.000 1.001 158 V HN 0.726 nan 8.190 nan 0.000 0.424 159 P HA -0.014 nan 4.420 nan 0.000 0.264 159 P C 0.281 177.555 177.300 -0.043 0.000 1.183 159 P CA 0.117 63.153 63.100 -0.107 0.000 0.763 159 P CB 0.203 31.796 31.700 -0.178 0.000 0.807 160 Y N 2.979 123.336 120.300 0.095 0.000 2.421 160 Y HA -0.146 4.402 4.550 -0.003 0.000 0.292 160 Y C 1.419 177.456 175.900 0.229 0.000 1.136 160 Y CA 1.287 59.541 58.100 0.258 0.000 1.255 160 Y CB -1.299 37.321 38.460 0.267 0.000 0.991 160 Y HN 0.286 nan 8.280 nan 0.000 0.552 161 D N -0.495 119.873 120.400 -0.053 0.000 2.363 161 D HA -0.144 4.495 4.640 -0.003 0.000 0.220 161 D C 0.733 177.040 176.300 0.012 0.000 0.994 161 D CA 0.789 54.801 54.000 0.019 0.000 0.890 161 D CB -0.363 40.351 40.800 -0.143 0.000 0.906 161 D HN 0.358 nan 8.370 nan 0.000 0.530 162 D N 0.522 120.843 120.400 -0.131 0.000 2.178 162 D HA -0.099 4.540 4.640 -0.003 0.000 0.202 162 D C 1.626 177.844 176.300 -0.138 0.000 0.974 162 D CA 0.654 54.510 54.000 -0.239 0.000 0.841 162 D CB -0.548 39.961 40.800 -0.485 0.000 0.953 162 D HN 0.431 nan 8.370 nan 0.000 0.478 163 W N 1.301 122.712 121.300 0.184 0.000 2.363 163 W HA -0.094 4.564 4.660 -0.003 0.000 0.296 163 W C 1.676 178.326 176.519 0.218 0.000 1.212 163 W CA 0.429 57.925 57.345 0.251 0.000 1.260 163 W CB -0.077 29.602 29.460 0.365 0.000 1.131 163 W HN -0.109 nan 8.180 nan 0.000 0.530 164 D N -0.166 120.446 120.400 0.353 0.000 2.355 164 D HA -0.032 4.606 4.640 -0.003 0.000 0.218 164 D C 0.865 177.258 176.300 0.155 0.000 1.004 164 D CA 0.744 54.880 54.000 0.225 0.000 0.880 164 D CB -0.175 40.731 40.800 0.176 0.000 0.911 164 D HN -0.061 nan 8.370 nan 0.000 0.528 165 K N 1.473 121.950 120.400 0.129 0.000 2.219 165 K HA 0.090 4.408 4.320 -0.003 0.000 0.258 165 K C 0.059 176.716 176.600 0.095 0.000 1.008 165 K CA -0.363 55.974 56.287 0.082 0.000 0.928 165 K CB 0.439 32.962 32.500 0.039 0.000 0.983 165 K HN -0.079 nan 8.250 nan 0.000 0.484 166 D N 0.737 121.181 120.400 0.074 0.000 2.425 166 D HA 0.120 4.759 4.640 -0.003 0.000 0.247 166 D C 0.070 176.417 176.300 0.079 0.000 1.147 166 D CA 0.221 54.267 54.000 0.078 0.000 0.879 166 D CB 0.627 41.463 40.800 0.059 0.000 1.179 166 D HN 0.453 nan 8.370 nan 0.000 0.456 167 A N 2.123 125.003 122.820 0.100 0.000 2.332 167 A HA 0.180 4.498 4.320 -0.003 0.000 0.258 167 A C 0.246 177.875 177.584 0.075 0.000 1.087 167 A CA -0.556 51.540 52.037 0.098 0.000 0.802 167 A CB 0.446 19.529 19.000 0.137 0.000 1.042 167 A HN 0.481 nan 8.150 nan 0.000 0.489 168 D N 1.193 121.628 120.400 0.059 0.000 2.371 168 D HA 0.238 4.876 4.640 -0.003 0.000 0.256 168 D C -1.635 174.695 176.300 0.050 0.000 1.193 168 D CA -1.605 52.421 54.000 0.043 0.000 0.881 168 D CB 0.965 41.778 40.800 0.021 0.000 1.143 168 D HN 0.102 nan 8.370 nan 0.000 0.473 169 P HA -0.132 nan 4.420 nan 0.000 0.219 169 P C 0.986 178.359 177.300 0.121 0.000 1.146 169 P CA 0.836 63.992 63.100 0.093 0.000 0.808 169 P CB 0.247 31.999 31.700 0.087 0.000 0.779 170 Q N -0.973 118.863 119.800 0.060 0.000 2.488 170 Q HA 0.021 4.360 4.340 -0.003 0.000 0.211 170 Q C 1.844 177.759 176.000 -0.141 0.000 0.967 170 Q CA 0.781 56.589 55.803 0.008 0.000 0.926 170 Q CB -0.734 28.020 28.738 0.026 0.000 0.992 170 Q HN 0.266 nan 8.270 nan 0.000 0.506 171 S N 0.505 116.127 115.700 -0.130 0.000 2.469 171 S HA -0.129 4.340 4.470 -0.003 0.000 0.238 171 S C 1.573 175.837 174.600 -0.560 0.000 0.998 171 S CA 0.770 58.836 58.200 -0.224 0.000 0.957 171 S CB -0.360 62.784 63.200 -0.094 0.000 0.764 171 S HN 0.613 nan 8.310 nan 0.000 0.514 172 H N 0.622 119.344 119.070 -0.581 0.000 2.457 172 H HA -0.088 4.466 4.556 -0.003 0.000 0.297 172 H C 1.353 176.273 175.328 -0.679 0.000 1.092 172 H CA 1.441 56.917 56.048 -0.954 0.000 1.309 172 H CB -0.672 28.835 29.762 -0.424 0.000 1.382 172 H HN 0.521 nan 8.280 nan 0.000 0.535 173 H N 0.916 119.490 119.070 -0.827 0.000 2.521 173 H HA 0.005 4.559 4.556 -0.003 0.000 0.286 173 H C 2.432 177.626 175.328 -0.224 0.000 1.034 173 H CA 0.944 56.722 56.048 -0.450 0.000 1.278 173 H CB 0.320 29.829 29.762 -0.422 0.000 1.386 173 H HN 0.406 nan 8.280 nan 0.000 0.567 174 L N -0.493 120.627 121.223 -0.171 0.000 2.217 174 L HA -0.109 4.230 4.340 -0.003 0.000 0.211 174 L C 2.152 179.117 176.870 0.158 0.000 1.107 174 L CA 0.344 55.187 54.840 0.004 0.000 0.783 174 L CB -0.427 41.642 42.059 0.018 0.000 0.919 174 L HN 0.056 nan 8.230 nan 0.000 0.442 175 F N 0.653 120.673 119.950 0.118 0.000 2.095 175 F HA -0.234 4.291 4.527 -0.003 0.000 0.298 175 F C 1.909 177.783 175.800 0.123 0.000 1.104 175 F CA 1.147 59.218 58.000 0.118 0.000 1.232 175 F CB -0.594 38.472 39.000 0.109 0.000 0.987 175 F HN 0.144 nan 8.300 nan 0.000 0.475 176 D N -0.559 120.031 120.400 0.316 0.000 2.402 176 D HA 0.063 4.701 4.640 -0.003 0.000 0.216 176 D C 0.317 176.738 176.300 0.201 0.000 1.128 176 D CA -0.054 54.084 54.000 0.230 0.000 0.833 176 D CB -0.018 40.897 40.800 0.192 0.000 0.971 176 D HN 0.115 nan 8.370 nan 0.000 0.503 177 R N 1.173 121.793 120.500 0.200 0.000 2.502 177 R HA 0.012 4.350 4.340 -0.003 0.000 0.292 177 R C 0.442 176.836 176.300 0.156 0.000 0.998 177 R CA 0.400 56.582 56.100 0.138 0.000 1.056 177 R CB 0.436 30.785 30.300 0.082 0.000 0.939 177 R HN 0.185 nan 8.270 nan 0.000 0.411 178 H N 3.100 122.181 119.070 0.018 0.000 2.481 178 H HA 0.301 4.855 4.556 -0.003 0.000 0.333 178 H C -1.292 173.996 175.328 -0.067 0.000 1.066 178 H CA -0.604 55.453 56.048 0.015 0.000 1.209 178 H CB 1.138 30.916 29.762 0.026 0.000 1.445 178 H HN 0.207 nan 8.280 nan 0.000 0.488 179 V N 4.579 124.207 119.914 -0.476 0.000 2.444 179 V HA 0.183 4.301 4.120 -0.003 0.000 0.294 179 V C 0.060 175.956 176.094 -0.330 0.000 1.022 179 V CA -0.630 61.463 62.300 -0.345 0.000 0.850 179 V CB 1.500 33.069 31.823 -0.423 0.000 0.992 179 V HN 0.759 nan 8.190 nan 0.000 0.426 180 S N 2.815 118.424 115.700 -0.151 0.000 2.472 180 S HA 0.553 5.021 4.470 -0.003 0.000 0.303 180 S C 0.518 175.093 174.600 -0.042 0.000 1.099 180 S CA -0.014 58.147 58.200 -0.064 0.000 1.077 180 S CB 1.601 64.852 63.200 0.084 0.000 1.031 180 S HN 0.949 nan 8.310 nan 0.000 0.487 181 S N 2.422 118.100 115.700 -0.037 0.000 2.741 181 S HA 0.253 4.721 4.470 -0.003 0.000 0.247 181 S C -0.177 174.411 174.600 -0.020 0.000 1.050 181 S CA -0.537 57.643 58.200 -0.033 0.000 1.025 181 S CB 0.178 63.350 63.200 -0.047 0.000 0.897 181 S HN 0.417 nan 8.310 nan 0.000 0.508 182 S N 2.845 118.544 115.700 -0.001 0.000 3.919 182 S HA 0.417 4.885 4.470 -0.003 0.000 0.245 182 S C 0.243 174.846 174.600 0.004 0.000 1.344 182 S CA -0.462 57.742 58.200 0.007 0.000 0.896 182 S CB -0.350 62.867 63.200 0.027 0.000 1.557 182 S HN 0.662 nan 8.310 nan 0.000 0.468 183 V N 1.463 121.374 119.914 -0.006 0.000 2.960 183 V HA 0.975 5.094 4.120 -0.003 0.000 0.315 183 V C -0.659 175.429 176.094 -0.009 0.000 1.087 183 V CA -1.482 60.814 62.300 -0.007 0.000 0.982 183 V CB 2.082 33.897 31.823 -0.013 0.000 1.039 183 V HN 0.624 nan 8.190 nan 0.000 0.437 184 R N 2.214 122.710 120.500 -0.007 0.000 2.799 184 R HA 0.771 5.109 4.340 -0.003 0.000 0.270 184 R C -0.996 175.299 176.300 -0.008 0.000 1.010 184 R CA -1.009 55.087 56.100 -0.007 0.000 0.916 184 R CB 0.760 31.058 30.300 -0.003 0.000 1.228 184 R HN 0.810 nan 8.270 nan 0.000 0.469 185 L N 2.109 123.327 121.223 -0.008 0.000 2.559 185 L HA 0.128 4.466 4.340 -0.003 0.000 0.282 185 L C -0.371 176.496 176.870 -0.005 0.000 1.232 185 L CA 0.525 55.360 54.840 -0.008 0.000 0.885 185 L CB -0.146 41.908 42.059 -0.008 0.000 1.131 185 L HN 0.923 nan 8.230 nan 0.000 0.498 186 N N 1.998 120.695 118.700 -0.006 0.000 2.329 186 N HA -0.079 4.659 4.740 -0.003 0.000 0.237 186 N C 0.443 175.951 175.510 -0.003 0.000 1.258 186 N CA 0.241 53.288 53.050 -0.004 0.000 0.866 186 N CB 0.246 38.730 38.487 -0.005 0.000 1.102 186 N HN 0.611 nan 8.380 nan 0.000 0.440 187 D N 0.046 120.445 120.400 -0.002 0.000 2.116 187 D HA -0.271 4.368 4.640 -0.003 0.000 0.193 187 D C 1.560 177.860 176.300 -0.001 0.000 0.998 187 D CA 1.549 55.549 54.000 -0.001 0.000 0.836 187 D CB -0.364 40.436 40.800 -0.000 0.000 0.951 187 D HN 0.832 nan 8.370 nan 0.000 0.449 188 Q N 0.242 120.042 119.800 -0.001 0.000 2.030 188 Q HA -0.172 4.166 4.340 -0.003 0.000 0.204 188 Q C 1.197 177.196 176.000 -0.001 0.000 0.986 188 Q CA 1.646 57.448 55.803 -0.001 0.000 0.843 188 Q CB 0.126 28.863 28.738 -0.002 0.000 0.904 188 Q HN 0.152 nan 8.270 nan 0.000 0.420 189 D N 0.248 120.646 120.400 -0.002 0.000 2.234 189 D HA -0.106 4.532 4.640 -0.003 0.000 0.205 189 D C 1.858 178.157 176.300 -0.002 0.000 0.962 189 D CA 0.389 54.387 54.000 -0.003 0.000 0.855 189 D CB -0.067 40.730 40.800 -0.005 0.000 0.951 189 D HN 0.222 nan 8.370 nan 0.000 0.500 190 L N 1.256 122.478 121.223 -0.002 0.000 2.056 190 L HA -0.130 4.208 4.340 -0.003 0.000 0.207 190 L C 1.352 178.223 176.870 0.002 0.000 1.078 190 L CA 1.768 56.608 54.840 -0.000 0.000 0.749 190 L CB -0.422 41.637 42.059 0.000 0.000 0.901 190 L HN -0.195 nan 8.230 nan 0.000 0.433 191 D N -0.343 120.058 120.400 0.002 0.000 2.117 191 D HA -0.185 4.453 4.640 -0.003 0.000 0.197 191 D C 2.329 178.630 176.300 0.003 0.000 0.987 191 D CA 1.688 55.689 54.000 0.003 0.000 0.829 191 D CB -0.113 40.688 40.800 0.002 0.000 0.961 191 D HN 0.422 nan 8.370 nan 0.000 0.460 192 I N 0.322 120.893 120.570 0.002 0.000 2.179 192 I HA -0.250 3.918 4.170 -0.003 0.000 0.242 192 I C 2.336 178.454 176.117 0.003 0.000 1.088 192 I CA 0.533 61.835 61.300 0.002 0.000 1.357 192 I CB -0.154 37.846 38.000 0.000 0.000 1.051 192 I HN 0.029 nan 8.210 nan 0.000 0.409 193 L N 0.518 121.743 121.223 0.002 0.000 2.017 193 L HA -0.160 4.178 4.340 -0.003 0.000 0.208 193 L C 2.401 179.275 176.870 0.006 0.000 1.073 193 L CA 1.818 56.660 54.840 0.003 0.000 0.745 193 L CB -0.572 41.488 42.059 0.001 0.000 0.894 193 L HN -0.018 nan 8.230 nan 0.000 0.432 194 V N -0.194 119.724 119.914 0.007 0.000 2.343 194 V HA -0.318 3.800 4.120 -0.003 0.000 0.247 194 V C 2.613 178.713 176.094 0.010 0.000 1.051 194 V CA 2.165 64.470 62.300 0.009 0.000 1.036 194 V CB -0.692 31.136 31.823 0.009 0.000 0.654 194 V HN 0.476 nan 8.190 nan 0.000 0.451 195 K N 0.148 120.553 120.400 0.009 0.000 2.097 195 K HA -0.102 4.216 4.320 -0.003 0.000 0.206 195 K C 2.285 178.892 176.600 0.011 0.000 1.049 195 K CA 1.400 57.692 56.287 0.009 0.000 0.933 195 K CB -0.404 32.100 32.500 0.007 0.000 0.717 195 K HN 0.485 nan 8.250 nan 0.000 0.442 196 A N 1.269 124.095 122.820 0.010 0.000 1.933 196 A HA -0.120 4.198 4.320 -0.003 0.000 0.218 196 A C 2.088 179.682 177.584 0.017 0.000 1.175 196 A CA 1.209 53.254 52.037 0.012 0.000 0.628 196 A CB -0.563 18.443 19.000 0.010 0.000 0.814 196 A HN 0.143 nan 8.150 nan 0.000 0.444 197 L N -0.391 120.842 121.223 0.017 0.000 2.027 197 L HA -0.180 4.158 4.340 -0.003 0.000 0.206 197 L C 2.242 179.126 176.870 0.023 0.000 1.074 197 L CA 1.194 56.047 54.840 0.021 0.000 0.745 197 L CB -0.701 41.370 42.059 0.019 0.000 0.898 197 L HN 0.319 nan 8.230 nan 0.000 0.433 198 N N -0.272 118.440 118.700 0.019 0.000 2.205 198 N HA -0.140 4.598 4.740 -0.003 0.000 0.186 198 N C 1.880 177.402 175.510 0.020 0.000 1.015 198 N CA 1.462 54.523 53.050 0.019 0.000 0.862 198 N CB -0.199 38.297 38.487 0.016 0.000 0.986 198 N HN 0.189 nan 8.380 nan 0.000 0.429 199 S N -0.063 115.649 115.700 0.019 0.000 2.528 199 S HA 0.253 4.721 4.470 -0.003 0.000 0.219 199 S C 0.801 175.414 174.600 0.022 0.000 0.985 199 S CA -0.274 57.937 58.200 0.018 0.000 0.914 199 S CB 0.127 63.335 63.200 0.015 0.000 0.776 199 S HN 0.426 nan 8.310 nan 0.000 0.526 200 A N 1.997 124.833 122.820 0.028 0.000 2.511 200 A HA 0.332 4.650 4.320 -0.003 0.000 0.242 200 A C 1.368 178.975 177.584 0.038 0.000 1.069 200 A CA 0.115 52.173 52.037 0.036 0.000 0.763 200 A CB 0.195 19.222 19.000 0.046 0.000 1.001 200 A HN 0.403 nan 8.150 nan 0.000 0.498 201 S N 1.061 116.784 115.700 0.038 0.000 2.458 201 S HA 0.029 4.497 4.470 -0.003 0.000 0.223 201 S C 0.662 175.290 174.600 0.046 0.000 1.019 201 S CA 0.828 59.048 58.200 0.033 0.000 0.937 201 S CB -0.085 63.127 63.200 0.020 0.000 0.788 201 S HN 0.768 nan 8.310 nan 0.000 0.511 202 N N 1.966 120.710 118.700 0.073 0.000 2.673 202 N HA 0.369 5.107 4.740 -0.003 0.000 0.265 202 N C -3.268 172.399 175.510 0.262 0.000 1.709 202 N CA -1.674 51.450 53.050 0.125 0.000 0.792 202 N CB 1.301 39.810 38.487 0.036 0.000 1.286 202 N HN 0.150 nan 8.380 nan 0.000 0.506 203 P HA 0.326 nan 4.420 nan 0.000 0.272 203 P C -0.964 176.390 177.300 0.090 0.000 1.223 203 P CA -0.284 62.894 63.100 0.131 0.000 0.784 203 P CB 1.458 33.199 31.700 0.068 0.000 0.923 204 A N 2.708 125.504 122.820 -0.041 0.000 2.454 204 A HA 0.770 5.088 4.320 -0.003 0.000 0.302 204 A C -0.717 176.843 177.584 -0.040 0.000 1.079 204 A CA -0.858 51.086 52.037 -0.154 0.000 0.731 204 A CB 1.076 19.816 19.000 -0.433 0.000 1.299 204 A HN 0.449 nan 8.150 nan 0.000 0.413 205 I N 1.201 121.756 120.570 -0.025 0.000 2.509 205 I HA 0.506 4.675 4.170 -0.003 0.000 0.293 205 I C -0.972 175.155 176.117 0.016 0.000 1.020 205 I CA -0.924 60.360 61.300 -0.027 0.000 1.088 205 I CB 2.165 40.112 38.000 -0.089 0.000 1.267 205 I HN 0.312 nan 8.210 nan 0.000 0.430 206 V N 7.013 126.947 119.914 0.032 0.000 2.487 206 V HA 0.502 4.620 4.120 -0.003 0.000 0.298 206 V C -0.287 175.829 176.094 0.036 0.000 1.028 206 V CA -0.534 61.795 62.300 0.048 0.000 0.860 206 V CB 1.947 33.820 31.823 0.083 0.000 0.991 206 V HN 0.462 nan 8.190 nan 0.000 0.427 207 L N 3.909 125.144 121.223 0.019 0.000 2.346 207 L HA 0.883 5.221 4.340 -0.003 0.000 0.276 207 L C 0.673 177.579 176.870 0.061 0.000 1.006 207 L CA -0.302 54.566 54.840 0.046 0.000 0.817 207 L CB 2.025 44.120 42.059 0.061 0.000 1.272 207 L HN 0.767 nan 8.230 nan 0.000 0.421 208 G N 1.095 109.940 108.800 0.075 0.000 2.887 208 G HA2 0.529 4.487 3.960 -0.003 0.000 0.277 208 G HA3 0.529 4.487 3.960 -0.003 0.000 0.277 208 G C -2.156 172.806 174.900 0.103 0.000 1.346 208 G CA -0.887 44.262 45.100 0.082 0.000 1.058 208 G HN 0.409 nan 8.290 nan 0.000 0.535 209 P HA -0.008 nan 4.420 nan 0.000 0.221 209 P C 0.557 177.929 177.300 0.120 0.000 1.150 209 P CA 0.866 64.042 63.100 0.126 0.000 0.800 209 P CB 0.325 32.098 31.700 0.122 0.000 0.787 210 D N -0.270 120.200 120.400 0.117 0.000 2.310 210 D HA -0.060 4.578 4.640 -0.003 0.000 0.212 210 D C 2.003 178.348 176.300 0.075 0.000 0.965 210 D CA 0.582 54.644 54.000 0.104 0.000 0.879 210 D CB -0.248 40.609 40.800 0.096 0.000 0.921 210 D HN 0.056 nan 8.370 nan 0.000 0.510 211 V N 1.160 121.122 119.914 0.080 0.000 2.270 211 V HA -0.240 3.878 4.120 -0.003 0.000 0.245 211 V C 2.210 178.349 176.094 0.075 0.000 1.043 211 V CA 1.883 64.229 62.300 0.076 0.000 1.014 211 V CB -0.363 31.516 31.823 0.094 0.000 0.645 211 V HN 0.068 nan 8.190 nan 0.000 0.447 212 D N -0.015 120.437 120.400 0.087 0.000 2.144 212 D HA -0.112 4.526 4.640 -0.003 0.000 0.200 212 D C 2.106 178.453 176.300 0.078 0.000 0.978 212 D CA 1.363 55.408 54.000 0.074 0.000 0.833 212 D CB -0.150 40.691 40.800 0.068 0.000 0.961 212 D HN 0.359 nan 8.370 nan 0.000 0.470 213 A N 0.336 123.212 122.820 0.093 0.000 1.940 213 A HA 0.002 4.320 4.320 -0.003 0.000 0.219 213 A C 2.246 179.866 177.584 0.060 0.000 1.176 213 A CA 1.993 54.084 52.037 0.091 0.000 0.631 213 A CB -0.828 18.232 19.000 0.099 0.000 0.814 213 A HN 0.304 nan 8.150 nan 0.000 0.446 214 A N -1.310 121.539 122.820 0.049 0.000 2.208 214 A HA 0.192 4.510 4.320 -0.003 0.000 0.209 214 A C 1.012 178.615 177.584 0.030 0.000 1.161 214 A CA 0.917 52.974 52.037 0.033 0.000 0.782 214 A CB -0.542 18.473 19.000 0.026 0.000 0.816 214 A HN 0.735 nan 8.150 nan 0.000 0.477 215 N N -2.254 116.467 118.700 0.035 0.000 2.721 215 N HA -0.232 4.506 4.740 -0.003 0.000 0.249 215 N C 0.504 176.026 175.510 0.020 0.000 1.072 215 N CA 1.045 54.110 53.050 0.025 0.000 0.710 215 N CB -1.412 37.086 38.487 0.017 0.000 0.993 215 N HN 0.566 nan 8.380 nan 0.000 0.547 216 A N -0.854 121.983 122.820 0.029 0.000 2.278 216 A HA 0.147 4.465 4.320 -0.003 0.000 0.212 216 A C 1.708 179.312 177.584 0.034 0.000 1.213 216 A CA 0.623 52.678 52.037 0.030 0.000 0.840 216 A CB -0.119 18.903 19.000 0.037 0.000 0.866 216 A HN 0.531 nan 8.150 nan 0.000 0.489 217 N N 1.748 120.462 118.700 0.024 0.000 2.036 217 N HA -0.186 4.552 4.740 -0.003 0.000 0.195 217 N C 1.809 177.288 175.510 -0.051 0.000 1.037 217 N CA 1.956 55.010 53.050 0.007 0.000 0.855 217 N CB -0.497 37.972 38.487 -0.029 0.000 1.033 217 N HN 0.448 nan 8.380 nan 0.000 0.423 218 A N 0.876 123.660 122.820 -0.060 0.000 1.933 218 A HA -0.150 4.168 4.320 -0.003 0.000 0.218 218 A C 1.676 179.236 177.584 -0.041 0.000 1.175 218 A CA 1.638 53.629 52.037 -0.077 0.000 0.628 218 A CB -0.478 18.489 19.000 -0.054 0.000 0.814 218 A HN 0.150 nan 8.150 nan 0.000 0.444 219 D N -0.494 119.902 120.400 -0.007 0.000 2.144 219 D HA -0.109 4.529 4.640 -0.003 0.000 0.200 219 D C 1.982 178.306 176.300 0.039 0.000 0.978 219 D CA 1.302 55.311 54.000 0.014 0.000 0.833 219 D CB -0.472 40.339 40.800 0.018 0.000 0.961 219 D HN 0.452 nan 8.370 nan 0.000 0.470 220 C N 0.238 119.579 119.300 0.068 0.000 2.440 220 C HA -0.041 4.417 4.460 -0.003 0.000 0.278 220 C C 2.915 178.045 174.990 0.233 0.000 1.295 220 C CA -0.007 59.101 59.018 0.150 0.000 1.738 220 C CB -0.727 27.144 27.740 0.219 0.000 1.987 220 C HN 0.161 nan 8.230 nan 0.000 0.492 221 V N 1.028 120.983 119.914 0.069 0.000 2.287 221 V HA -0.341 3.777 4.120 -0.003 0.000 0.248 221 V C 2.445 178.544 176.094 0.008 0.000 1.053 221 V CA 2.479 64.708 62.300 -0.118 0.000 1.027 221 V CB -0.704 30.870 31.823 -0.415 0.000 0.646 221 V HN 0.622 nan 8.190 nan 0.000 0.447 222 M N -0.549 119.058 119.600 0.013 0.000 2.080 222 M HA -0.211 4.267 4.480 -0.003 0.000 0.260 222 M C 2.121 178.454 176.300 0.055 0.000 1.068 222 M CA 2.089 57.411 55.300 0.036 0.000 1.109 222 M CB -0.242 32.371 32.600 0.022 0.000 1.342 222 M HN 0.358 nan 8.290 nan 0.000 0.405 223 L N 0.887 122.146 121.223 0.060 0.000 2.012 223 L HA -0.110 4.229 4.340 -0.003 0.000 0.210 223 L C 2.481 179.389 176.870 0.064 0.000 1.073 223 L CA 2.376 57.250 54.840 0.056 0.000 0.748 223 L CB -1.075 41.016 42.059 0.053 0.000 0.891 223 L HN 0.368 nan 8.230 nan 0.000 0.431 224 A N -1.014 121.860 122.820 0.091 0.000 1.933 224 A HA -0.210 4.109 4.320 -0.003 0.000 0.218 224 A C 2.162 179.811 177.584 0.109 0.000 1.175 224 A CA 1.744 53.831 52.037 0.082 0.000 0.628 224 A CB -0.606 18.456 19.000 0.104 0.000 0.814 224 A HN 0.623 nan 8.150 nan 0.000 0.444 225 E N -0.495 119.786 120.200 0.135 0.000 2.072 225 E HA -0.160 4.188 4.350 -0.003 0.000 0.191 225 E C 2.366 179.018 176.600 0.086 0.000 0.985 225 E CA 0.955 57.439 56.400 0.140 0.000 0.801 225 E CB -0.161 29.629 29.700 0.150 0.000 0.750 225 E HN 0.491 nan 8.360 nan 0.000 0.452 226 R N 0.432 120.972 120.500 0.066 0.000 2.081 226 R HA -0.074 4.264 4.340 -0.003 0.000 0.235 226 R C 2.327 178.654 176.300 0.044 0.000 1.131 226 R CA 0.933 57.062 56.100 0.048 0.000 0.960 226 R CB -0.333 29.990 30.300 0.039 0.000 0.856 226 R HN 0.223 nan 8.270 nan 0.000 0.436 227 L N 1.080 122.330 121.223 0.045 0.000 2.554 227 L HA 0.020 4.359 4.340 -0.003 0.000 0.226 227 L C 0.152 177.048 176.870 0.043 0.000 1.137 227 L CA 0.219 55.083 54.840 0.040 0.000 0.863 227 L CB -0.077 42.002 42.059 0.033 0.000 0.985 227 L HN 0.080 nan 8.230 nan 0.000 0.451 228 K N -0.246 120.185 120.400 0.052 0.000 3.077 228 K HA -0.179 4.139 4.320 -0.003 0.000 0.264 228 K C -0.025 176.601 176.600 0.043 0.000 1.008 228 K CA 0.869 57.187 56.287 0.053 0.000 0.740 228 K CB -1.999 30.527 32.500 0.044 0.000 1.273 228 K HN 0.335 nan 8.250 nan 0.000 0.477 229 A N 1.120 123.957 122.820 0.028 0.000 2.330 229 A HA 0.665 4.983 4.320 -0.003 0.000 0.327 229 A C -2.133 175.399 177.584 -0.086 0.000 1.155 229 A CA -1.518 50.515 52.037 -0.007 0.000 0.803 229 A CB 1.062 20.054 19.000 -0.013 0.000 1.208 229 A HN -0.027 nan 8.150 nan 0.000 0.477 230 P HA 0.272 nan 4.420 nan 0.000 0.271 230 P C -0.724 176.269 177.300 -0.511 0.000 1.218 230 P CA 0.042 62.901 63.100 -0.401 0.000 0.780 230 P CB 0.965 32.330 31.700 -0.558 0.000 0.901 231 V N 3.581 123.076 119.914 -0.698 0.000 2.444 231 V HA 0.349 4.467 4.120 -0.003 0.000 0.294 231 V C -0.139 175.472 176.094 -0.805 0.000 1.022 231 V CA -0.463 61.436 62.300 -0.669 0.000 0.850 231 V CB 1.650 32.864 31.823 -1.015 0.000 0.992 231 V HN 0.607 nan 8.190 nan 0.000 0.426 232 W N 2.880 123.902 121.300 -0.462 0.000 2.647 232 W HA 0.671 5.331 4.660 -0.001 0.000 0.353 232 W C -0.672 175.614 176.519 -0.389 0.000 1.080 232 W CA -0.713 56.329 57.345 -0.505 0.000 1.208 232 W CB 2.180 31.385 29.460 -0.426 0.000 1.396 232 W HN 0.257 nan 8.180 nan 0.000 0.573 233 V N 2.400 122.203 119.914 -0.184 0.000 2.439 233 V HA 0.356 4.474 4.120 -0.003 0.000 0.282 233 V C 0.681 176.645 176.094 -0.217 0.000 1.039 233 V CA -0.890 61.304 62.300 -0.176 0.000 0.913 233 V CB 0.470 32.092 31.823 -0.335 0.000 0.983 233 V HN 0.583 nan 8.190 nan 0.000 0.460 234 A N 8.336 131.080 122.820 -0.127 0.000 2.507 234 A HA 0.438 4.756 4.320 -0.003 0.000 0.235 234 A C -1.870 175.602 177.584 -0.188 0.000 1.070 234 A CA -0.710 51.244 52.037 -0.140 0.000 0.768 234 A CB -0.371 18.648 19.000 0.031 0.000 1.011 234 A HN 0.697 nan 8.150 nan 0.000 0.502 235 P HA 0.135 nan 4.420 nan 0.000 0.272 235 P C -0.048 177.202 177.300 -0.083 0.000 1.240 235 P CA 0.359 63.347 63.100 -0.185 0.000 0.791 235 P CB 0.535 32.135 31.700 -0.167 0.000 0.978 236 S N -2.097 113.561 115.700 -0.069 0.000 3.641 236 S HA -0.169 4.299 4.470 -0.003 0.000 0.346 236 S C 0.591 175.233 174.600 0.069 0.000 1.074 236 S CA 0.693 58.903 58.200 0.016 0.000 1.026 236 S CB -2.226 61.042 63.200 0.113 0.000 0.908 236 S HN 0.935 nan 8.310 nan 0.000 0.479 237 A N 0.851 123.671 122.820 -0.001 0.000 2.537 237 A HA 0.415 4.734 4.320 -0.003 0.000 0.260 237 A C -0.569 177.269 177.584 0.424 0.000 1.082 237 A CA -0.728 51.405 52.037 0.161 0.000 0.765 237 A CB 0.103 19.164 19.000 0.101 0.000 1.019 237 A HN 0.289 nan 8.150 nan 0.000 0.507 238 P HA 0.016 nan 4.420 nan 0.000 0.225 238 P C 0.266 177.794 177.300 0.380 0.000 1.156 238 P CA 0.979 64.308 63.100 0.382 0.000 0.787 238 P CB 0.305 32.109 31.700 0.174 0.000 0.802 239 R N -2.702 118.027 120.500 0.381 0.000 2.817 239 R HA 0.552 4.890 4.340 -0.003 0.000 0.268 239 R C -1.389 175.141 176.300 0.384 0.000 1.027 239 R CA -0.828 55.433 56.100 0.269 0.000 0.928 239 R CB 1.186 31.539 30.300 0.089 0.000 1.228 239 R HN -0.141 nan 8.270 nan 0.000 0.469 240 C N 2.917 122.355 119.300 0.231 0.000 2.264 240 C HA 0.513 4.971 4.460 -0.003 0.000 0.324 240 C C -1.689 173.402 174.990 0.169 0.000 1.267 240 C CA -1.931 57.239 59.018 0.254 0.000 1.618 240 C CB 0.655 28.394 27.740 -0.002 0.000 2.278 240 C HN 0.620 nan 8.230 nan 0.000 0.499 241 P HA 0.220 nan 4.420 nan 0.000 0.268 241 P C -0.318 177.140 177.300 0.263 0.000 1.329 241 P CA 0.265 63.483 63.100 0.197 0.000 0.899 241 P CB 0.058 31.877 31.700 0.198 0.000 1.378 242 F N 1.178 121.125 119.950 -0.006 0.000 2.665 242 F HA 0.439 4.964 4.527 -0.002 0.000 0.308 242 F C -2.684 172.961 175.800 -0.259 0.000 1.112 242 F CA -2.324 55.622 58.000 -0.089 0.000 0.972 242 F CB 1.848 40.865 39.000 0.028 0.000 1.295 242 F HN -0.353 nan 8.300 nan 0.000 0.440 243 P HA 0.090 nan 4.420 nan 0.000 0.266 243 P C 0.466 177.524 177.300 -0.403 0.000 1.215 243 P CA 0.223 63.110 63.100 -0.356 0.000 0.763 243 P CB 0.545 32.053 31.700 -0.320 0.000 0.806 244 T N 0.388 114.647 114.554 -0.492 0.000 3.160 244 T HA 0.027 4.375 4.350 -0.003 0.000 0.257 244 T C 1.094 175.682 174.700 -0.186 0.000 1.147 244 T CA 0.515 62.161 62.100 -0.757 0.000 1.064 244 T CB -0.245 68.356 68.868 -0.445 0.000 0.949 244 T HN 0.172 nan 8.240 nan 0.000 0.526 245 R N 0.358 120.815 120.500 -0.072 0.000 2.472 245 R HA 0.215 4.553 4.340 -0.003 0.000 0.279 245 R C 0.343 176.687 176.300 0.074 0.000 0.953 245 R CA -0.333 55.787 56.100 0.033 0.000 1.088 245 R CB -0.403 29.896 30.300 -0.003 0.000 1.197 245 R HN 0.587 nan 8.270 nan 0.000 0.536 246 H N 2.566 121.648 119.070 0.019 0.000 2.897 246 H HA 0.032 4.586 4.556 -0.003 0.000 0.347 246 H C -1.529 173.891 175.328 0.153 0.000 1.068 246 H CA -1.044 55.045 56.048 0.069 0.000 1.426 246 H CB 1.629 31.427 29.762 0.060 0.000 1.410 246 H HN -0.185 nan 8.280 nan 0.000 0.597 247 P HA -0.125 nan 4.420 nan 0.000 0.218 247 P C 1.351 178.736 177.300 0.141 0.000 1.146 247 P CA 1.118 64.199 63.100 -0.032 0.000 0.813 247 P CB 0.045 31.654 31.700 -0.151 0.000 0.778 248 C N -2.913 116.649 119.300 0.437 0.000 2.481 248 C HA 0.116 4.575 4.460 -0.003 0.000 0.275 248 C C 1.271 176.288 174.990 0.044 0.000 1.419 248 C CA -0.583 58.580 59.018 0.241 0.000 1.773 248 C CB -1.895 26.020 27.740 0.291 0.000 1.862 248 C HN 0.105 nan 8.230 nan 0.000 0.530 249 F N 1.981 121.971 119.950 0.067 0.000 2.538 249 F HA 0.223 4.748 4.527 -0.002 0.000 0.371 249 F C 1.280 176.916 175.800 -0.273 0.000 1.087 249 F CA 0.276 58.208 58.000 -0.113 0.000 1.250 249 F CB 0.460 39.546 39.000 0.143 0.000 1.110 249 F HN -0.032 nan 8.300 nan 0.000 0.570 250 R N 3.581 123.373 120.500 -1.180 0.000 2.509 250 R HA 0.333 4.671 4.340 -0.003 0.000 0.297 250 R C 0.563 176.268 176.300 -0.992 0.000 0.951 250 R CA 0.352 55.802 56.100 -1.083 0.000 1.103 250 R CB 0.058 29.361 30.300 -1.662 0.000 1.283 250 R HN 0.967 nan 8.270 nan 0.000 0.534 251 G N 1.267 109.126 108.800 -1.569 0.000 2.610 251 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.304 251 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.304 251 G C -1.139 173.379 174.900 -0.637 0.000 1.309 251 G CA -0.536 44.034 45.100 -0.883 0.000 0.906 251 G HN 0.149 nan 8.290 nan 0.000 0.521 252 L N 0.797 121.678 121.223 -0.569 0.000 2.319 252 L HA 0.704 5.042 4.340 -0.003 0.000 0.280 252 L C 1.108 177.752 176.870 -0.377 0.000 1.099 252 L CA -0.173 54.248 54.840 -0.699 0.000 0.828 252 L CB 0.566 41.972 42.059 -1.087 0.000 1.150 252 L HN 0.606 nan 8.230 nan 0.000 0.442 253 M N 7.727 127.124 119.600 -0.339 0.000 2.228 253 M HA 0.251 4.729 4.480 -0.003 0.000 0.351 253 M C -1.940 174.195 176.300 -0.276 0.000 1.233 253 M CA -1.514 53.590 55.300 -0.327 0.000 1.129 253 M CB 0.349 32.674 32.600 -0.458 0.000 1.604 253 M HN 0.488 nan 8.290 nan 0.000 0.457 254 P HA 0.058 nan 4.420 nan 0.000 0.268 254 P C -0.799 176.446 177.300 -0.093 0.000 1.205 254 P CA -0.133 62.882 63.100 -0.141 0.000 0.771 254 P CB 0.464 32.094 31.700 -0.116 0.000 0.858 255 A N 2.847 125.664 122.820 -0.005 0.000 3.117 255 A HA 0.502 4.820 4.320 -0.003 0.000 0.255 255 A C 0.820 178.550 177.584 0.243 0.000 1.583 255 A CA 0.001 52.111 52.037 0.121 0.000 1.234 255 A CB -1.204 17.914 19.000 0.197 0.000 1.076 255 A HN 0.639 nan 8.150 nan 0.000 0.653 256 G N -0.811 108.103 108.800 0.190 0.000 2.620 256 G HA2 0.489 4.447 3.960 -0.003 0.000 0.301 256 G HA3 0.489 4.447 3.960 -0.003 0.000 0.301 256 G C 0.565 175.461 174.900 -0.006 0.000 1.347 256 G CA -0.643 44.503 45.100 0.077 0.000 0.971 256 G HN 0.152 nan 8.290 nan 0.000 0.488 257 I N 1.469 121.807 120.570 -0.387 0.000 2.099 257 I HA -0.228 3.941 4.170 -0.003 0.000 0.239 257 I C 3.080 179.079 176.117 -0.197 0.000 1.066 257 I CA 1.915 62.934 61.300 -0.468 0.000 1.324 257 I CB -0.097 37.493 38.000 -0.684 0.000 1.037 257 I HN 0.556 nan 8.210 nan 0.000 0.401 258 A N 0.585 123.269 122.820 -0.227 0.000 1.902 258 A HA -0.154 4.164 4.320 -0.003 0.000 0.217 258 A C 2.531 180.039 177.584 -0.128 0.000 1.181 258 A CA 1.846 53.780 52.037 -0.172 0.000 0.623 258 A CB -0.935 17.955 19.000 -0.184 0.000 0.818 258 A HN 0.451 nan 8.150 nan 0.000 0.443 259 A N -0.114 122.634 122.820 -0.120 0.000 1.908 259 A HA -0.122 4.196 4.320 -0.003 0.000 0.218 259 A C 2.144 179.634 177.584 -0.157 0.000 1.181 259 A CA 1.664 53.629 52.037 -0.119 0.000 0.627 259 A CB -0.586 18.352 19.000 -0.104 0.000 0.818 259 A HN 0.506 nan 8.150 nan 0.000 0.445 260 I N 0.434 120.916 120.570 -0.146 0.000 2.286 260 I HA -0.219 3.949 4.170 -0.003 0.000 0.245 260 I C 2.892 178.896 176.117 -0.188 0.000 1.104 260 I CA 1.468 62.625 61.300 -0.237 0.000 1.397 260 I CB -0.226 37.622 38.000 -0.253 0.000 1.072 260 I HN 0.516 nan 8.210 nan 0.000 0.417 261 S N 0.267 115.920 115.700 -0.080 0.000 2.382 261 S HA -0.286 4.182 4.470 -0.003 0.000 0.228 261 S C 1.929 176.479 174.600 -0.084 0.000 1.027 261 S CA 1.325 59.495 58.200 -0.051 0.000 0.991 261 S CB -0.461 62.731 63.200 -0.014 0.000 0.823 261 S HN 0.405 nan 8.310 nan 0.000 0.469 262 Q N 0.817 120.555 119.800 -0.103 0.000 2.050 262 Q HA 0.025 4.363 4.340 -0.003 0.000 0.202 262 Q C 2.028 177.959 176.000 -0.114 0.000 0.980 262 Q CA 1.269 57.015 55.803 -0.095 0.000 0.840 262 Q CB -0.667 28.017 28.738 -0.090 0.000 0.898 262 Q HN 0.467 nan 8.270 nan 0.000 0.424 263 L N -0.202 120.908 121.223 -0.190 0.000 2.079 263 L HA -0.083 4.255 4.340 -0.003 0.000 0.210 263 L C 1.759 178.468 176.870 -0.269 0.000 1.081 263 L CA 1.657 56.332 54.840 -0.275 0.000 0.752 263 L CB -0.357 41.387 42.059 -0.524 0.000 0.896 263 L HN 0.360 nan 8.230 nan 0.000 0.433 264 L N -1.094 119.983 121.223 -0.243 0.000 2.558 264 L HA 0.045 4.383 4.340 -0.003 0.000 0.225 264 L C 0.908 177.810 176.870 0.053 0.000 1.128 264 L CA -0.219 54.565 54.840 -0.093 0.000 0.868 264 L CB -0.324 41.651 42.059 -0.140 0.000 1.006 264 L HN 0.230 nan 8.230 nan 0.000 0.454 265 E N 0.638 120.830 120.200 -0.012 0.000 2.465 265 E HA 0.116 4.464 4.350 -0.003 0.000 0.260 265 E C 1.181 177.745 176.600 -0.060 0.000 0.980 265 E CA 0.863 57.249 56.400 -0.023 0.000 0.927 265 E CB 0.382 30.059 29.700 -0.039 0.000 0.934 265 E HN 0.300 nan 8.360 nan 0.000 0.459 266 G N 4.083 112.844 108.800 -0.065 0.000 2.217 266 G HA2 -0.243 3.715 3.960 -0.003 0.000 0.246 266 G HA3 -0.243 3.715 3.960 -0.003 0.000 0.246 266 G C -0.069 174.724 174.900 -0.179 0.000 0.990 266 G CA 0.155 45.178 45.100 -0.128 0.000 0.627 266 G HN 0.721 nan 8.290 nan 0.000 0.522 267 H N 1.865 120.943 119.070 0.013 0.000 2.668 267 H HA 0.255 4.809 4.556 -0.003 0.000 0.303 267 H C 1.305 176.644 175.328 0.019 0.000 1.074 267 H CA 0.451 56.516 56.048 0.028 0.000 1.406 267 H CB 1.387 31.174 29.762 0.042 0.000 1.442 267 H HN 0.506 nan 8.280 nan 0.000 0.482 268 D N 2.472 122.946 120.400 0.122 0.000 2.162 268 D HA -0.072 4.567 4.640 -0.003 0.000 0.203 268 D C 0.479 176.821 176.300 0.072 0.000 0.967 268 D CA 0.498 54.541 54.000 0.072 0.000 0.840 268 D CB 0.333 41.161 40.800 0.046 0.000 0.972 268 D HN 0.118 nan 8.370 nan 0.000 0.482 269 V N 1.213 121.178 119.914 0.085 0.000 2.483 269 V HA 0.337 4.455 4.120 -0.003 0.000 0.297 269 V C -0.448 175.682 176.094 0.060 0.000 1.027 269 V CA -0.981 61.355 62.300 0.060 0.000 0.855 269 V CB 2.442 34.291 31.823 0.045 0.000 0.995 269 V HN -0.068 nan 8.190 nan 0.000 0.424 270 V N 6.089 126.029 119.914 0.044 0.000 2.357 270 V HA 0.441 4.560 4.120 -0.003 0.000 0.284 270 V C -0.400 175.709 176.094 0.025 0.000 1.018 270 V CA -0.544 61.773 62.300 0.028 0.000 0.841 270 V CB 1.631 33.473 31.823 0.032 0.000 0.991 270 V HN 0.671 nan 8.190 nan 0.000 0.437 271 L N 7.520 128.754 121.223 0.019 0.000 2.265 271 L HA 0.609 4.947 4.340 -0.003 0.000 0.289 271 L C -0.339 176.545 176.870 0.023 0.000 1.033 271 L CA 0.236 55.085 54.840 0.014 0.000 0.814 271 L CB 1.415 43.480 42.059 0.010 0.000 1.203 271 L HN 0.441 nan 8.230 nan 0.000 0.423 272 V N 6.833 126.759 119.914 0.020 0.000 2.427 272 V HA 0.489 4.607 4.120 -0.003 0.000 0.286 272 V C 0.130 176.232 176.094 0.013 0.000 1.034 272 V CA -0.405 61.916 62.300 0.036 0.000 0.893 272 V CB 1.387 33.223 31.823 0.022 0.000 0.982 272 V HN 0.594 nan 8.190 nan 0.000 0.452 273 I N 3.408 123.994 120.570 0.027 0.000 2.447 273 I HA 0.610 4.778 4.170 -0.003 0.000 0.287 273 I C 0.937 177.074 176.117 0.035 0.000 1.023 273 I CA -0.477 60.836 61.300 0.023 0.000 1.083 273 I CB 1.758 39.775 38.000 0.028 0.000 1.245 273 I HN 0.833 nan 8.210 nan 0.000 0.434 274 G N 4.366 113.182 108.800 0.026 0.000 2.176 274 G HA2 -0.051 3.907 3.960 -0.003 0.000 0.252 274 G HA3 -0.051 3.907 3.960 -0.003 0.000 0.252 274 G C -0.055 174.880 174.900 0.059 0.000 1.024 274 G CA 0.236 45.361 45.100 0.042 0.000 0.755 274 G HN 1.041 nan 8.290 nan 0.000 0.507 275 A N -0.661 122.183 122.820 0.040 0.000 2.498 275 A HA 0.963 5.281 4.320 -0.003 0.000 0.298 275 A C -2.664 174.914 177.584 -0.009 0.000 1.075 275 A CA -1.443 50.619 52.037 0.041 0.000 0.714 275 A CB 1.903 20.949 19.000 0.078 0.000 1.299 275 A HN 0.100 nan 8.150 nan 0.000 0.407 276 P HA 0.357 nan 4.420 nan 0.000 0.272 276 P C -0.749 176.424 177.300 -0.212 0.000 1.230 276 P CA -0.194 62.854 63.100 -0.086 0.000 0.788 276 P CB 0.715 32.383 31.700 -0.053 0.000 0.949 277 V N 3.043 122.721 119.914 -0.392 0.000 2.275 277 V HA 0.365 4.483 4.120 -0.003 0.000 0.272 277 V C -0.458 175.287 176.094 -0.582 0.000 1.028 277 V CA -0.008 61.745 62.300 -0.912 0.000 0.810 277 V CB -0.819 30.486 31.823 -0.862 0.000 1.043 277 V HN 0.371 nan 8.190 nan 0.000 0.453 278 F N 2.253 121.951 119.950 -0.419 0.000 2.611 278 F HA 0.619 5.144 4.527 -0.004 0.000 0.324 278 F C 0.601 176.054 175.800 -0.578 0.000 1.061 278 F CA -1.372 56.269 58.000 -0.597 0.000 0.954 278 F CB 1.726 40.182 39.000 -0.907 0.000 1.301 278 F HN 0.181 nan 8.300 nan 0.000 0.482 279 R N 1.599 122.029 120.500 -0.116 0.000 4.164 279 R HA 0.206 4.545 4.340 -0.003 0.000 0.195 279 R C -1.237 175.069 176.300 0.010 0.000 1.712 279 R CA -0.116 55.963 56.100 -0.035 0.000 1.457 279 R CB -1.377 28.931 30.300 0.013 0.000 1.387 279 R HN 0.353 nan 8.270 nan 0.000 0.785 280 Y N -0.022 120.383 120.300 0.175 0.000 2.394 280 Y HA 0.018 4.568 4.550 -0.000 0.000 0.351 280 Y C 1.592 177.630 175.900 0.229 0.000 1.272 280 Y CA 0.532 58.738 58.100 0.176 0.000 1.508 280 Y CB 0.265 38.832 38.460 0.179 0.000 1.369 280 Y HN 0.418 nan 8.280 nan 0.000 0.639 281 H N -0.566 118.696 119.070 0.320 0.000 2.984 281 H HA 0.086 4.640 4.556 -0.003 0.000 0.137 281 H C -0.158 175.366 175.328 0.326 0.000 1.110 281 H CA 0.536 56.755 56.048 0.284 0.000 1.070 281 H CB -0.049 29.872 29.762 0.265 0.000 1.019 281 H HN 0.652 nan 8.280 nan 0.000 0.291 282 Q N 1.316 121.356 119.800 0.399 0.000 2.432 282 Q HA -0.051 4.287 4.340 -0.003 0.000 0.264 282 Q C -0.653 175.488 176.000 0.235 0.000 1.035 282 Q CA -0.233 55.728 55.803 0.263 0.000 0.908 282 Q CB 0.434 29.201 28.738 0.049 0.000 1.280 282 Q HN 0.447 nan 8.270 nan 0.000 0.455 283 Y N 1.680 122.024 120.300 0.073 0.000 2.569 283 Y HA 0.085 4.631 4.550 -0.006 0.000 0.332 283 Y C -0.654 175.220 175.900 -0.043 0.000 1.120 283 Y CA 0.341 58.447 58.100 0.010 0.000 1.416 283 Y CB 0.465 38.928 38.460 0.004 0.000 1.210 283 Y HN 0.783 nan 8.280 nan 0.000 0.528 284 D N 8.391 128.518 120.400 -0.455 0.000 2.978 284 D HA 0.214 4.852 4.640 -0.003 0.000 0.268 284 D C -3.060 172.933 176.300 -0.512 0.000 1.252 284 D CA -1.530 52.229 54.000 -0.401 0.000 0.771 284 D CB 0.652 41.328 40.800 -0.207 0.000 1.361 284 D HN 0.236 nan 8.370 nan 0.000 0.558 285 P HA 0.493 nan 4.420 nan 0.000 0.271 285 P C 0.424 177.496 177.300 -0.380 0.000 1.218 285 P CA 0.279 63.033 63.100 -0.575 0.000 0.780 285 P CB 1.741 33.086 31.700 -0.591 0.000 0.901 286 G N 1.357 109.940 108.800 -0.362 0.000 2.360 286 G HA2 0.113 4.072 3.960 -0.003 0.000 0.276 286 G HA3 0.113 4.072 3.960 -0.003 0.000 0.276 286 G C -1.570 173.140 174.900 -0.316 0.000 1.256 286 G CA -0.688 44.246 45.100 -0.276 0.000 0.890 286 G HN 0.452 nan 8.290 nan 0.000 0.486 287 Q N -0.373 119.295 119.800 -0.219 0.000 2.314 287 Q HA 0.390 4.728 4.340 -0.003 0.000 0.258 287 Q C 0.342 176.252 176.000 -0.150 0.000 0.954 287 Q CA -0.411 55.288 55.803 -0.173 0.000 0.890 287 Q CB 1.168 29.861 28.738 -0.075 0.000 1.210 287 Q HN 0.511 nan 8.270 nan 0.000 0.410 288 Y N 1.210 121.502 120.300 -0.013 0.000 2.181 288 Y HA -0.076 4.473 4.550 -0.001 0.000 0.288 288 Y C 0.544 176.485 175.900 0.068 0.000 1.146 288 Y CA 0.974 59.101 58.100 0.045 0.000 1.164 288 Y CB 0.298 38.794 38.460 0.061 0.000 0.982 288 Y HN 0.398 nan 8.280 nan 0.000 0.515 289 L N -0.642 120.695 121.223 0.190 0.000 2.434 289 L HA 0.375 4.713 4.340 -0.003 0.000 0.260 289 L C -0.561 176.341 176.870 0.054 0.000 0.983 289 L CA -1.136 53.770 54.840 0.109 0.000 0.820 289 L CB 2.624 44.746 42.059 0.104 0.000 1.361 289 L HN -0.270 nan 8.230 nan 0.000 0.410 290 K N 1.469 121.884 120.400 0.025 0.000 2.154 290 K HA 0.394 4.712 4.320 -0.003 0.000 0.264 290 K C -2.378 174.229 176.600 0.012 0.000 1.008 290 K CA -1.596 54.695 56.287 0.006 0.000 0.937 290 K CB 0.602 33.096 32.500 -0.012 0.000 1.002 290 K HN 0.232 nan 8.250 nan 0.000 0.469 291 P HA -0.089 nan 4.420 nan 0.000 0.263 291 P C 0.451 177.755 177.300 0.006 0.000 1.175 291 P CA 0.998 64.102 63.100 0.007 0.000 0.761 291 P CB 0.425 32.125 31.700 -0.000 0.000 0.794 292 G N 1.439 110.245 108.800 0.011 0.000 2.213 292 G HA2 -0.185 3.773 3.960 -0.003 0.000 0.236 292 G HA3 -0.185 3.773 3.960 -0.003 0.000 0.236 292 G C 0.174 175.088 174.900 0.022 0.000 0.991 292 G CA -0.023 45.084 45.100 0.011 0.000 0.629 292 G HN 0.620 nan 8.290 nan 0.000 0.517 293 T N 1.775 116.347 114.554 0.029 0.000 2.771 293 T HA 0.619 4.967 4.350 -0.003 0.000 0.281 293 T C 0.237 174.961 174.700 0.040 0.000 0.982 293 T CA -0.151 61.976 62.100 0.044 0.000 0.978 293 T CB 1.334 70.233 68.868 0.051 0.000 0.930 293 T HN 0.772 nan 8.240 nan 0.000 0.447 294 R N 3.007 123.530 120.500 0.038 0.000 2.711 294 R HA 0.804 5.143 4.340 -0.003 0.000 0.284 294 R C -1.446 174.870 176.300 0.026 0.000 0.968 294 R CA -1.021 55.096 56.100 0.027 0.000 0.924 294 R CB 1.386 31.697 30.300 0.018 0.000 1.162 294 R HN 0.534 nan 8.270 nan 0.000 0.465 295 L N 3.336 124.566 121.223 0.012 0.000 2.346 295 L HA 0.618 4.956 4.340 -0.003 0.000 0.274 295 L C -1.362 175.496 176.870 -0.020 0.000 1.007 295 L CA -0.970 53.871 54.840 0.002 0.000 0.818 295 L CB 1.677 43.732 42.059 -0.007 0.000 1.284 295 L HN 0.711 nan 8.230 nan 0.000 0.424 296 I N 3.641 124.199 120.570 -0.019 0.000 2.447 296 I HA 0.326 4.494 4.170 -0.003 0.000 0.287 296 I C -0.544 175.550 176.117 -0.039 0.000 1.023 296 I CA -0.325 60.958 61.300 -0.028 0.000 1.083 296 I CB 2.060 40.052 38.000 -0.013 0.000 1.245 296 I HN 0.522 nan 8.210 nan 0.000 0.434 297 S N 5.797 121.461 115.700 -0.060 0.000 2.451 297 S HA 0.655 5.123 4.470 -0.003 0.000 0.301 297 S C -0.743 173.828 174.600 -0.049 0.000 1.116 297 S CA -0.482 57.676 58.200 -0.070 0.000 1.093 297 S CB 1.226 64.354 63.200 -0.121 0.000 1.017 297 S HN 0.327 nan 8.310 nan 0.000 0.482 298 V N 4.681 124.575 119.914 -0.034 0.000 2.347 298 V HA 0.642 4.760 4.120 -0.003 0.000 0.280 298 V C 0.394 176.471 176.094 -0.028 0.000 1.021 298 V CA -0.456 61.828 62.300 -0.027 0.000 0.847 298 V CB 1.171 32.986 31.823 -0.013 0.000 0.990 298 V HN 0.951 nan 8.190 nan 0.000 0.444 299 T N 3.118 117.650 114.554 -0.036 0.000 2.909 299 T HA 0.243 4.591 4.350 -0.003 0.000 0.299 299 T C 0.815 175.481 174.700 -0.056 0.000 1.073 299 T CA -0.107 61.970 62.100 -0.038 0.000 0.999 299 T CB 1.386 70.229 68.868 -0.042 0.000 1.098 299 T HN 0.868 nan 8.240 nan 0.000 0.477 300 C N 1.671 120.920 119.300 -0.084 0.000 2.626 300 C HA 0.446 4.904 4.460 -0.003 0.000 0.266 300 C C 0.465 175.355 174.990 -0.167 0.000 1.317 300 C CA -0.382 58.556 59.018 -0.133 0.000 1.716 300 C CB -1.383 26.244 27.740 -0.188 0.000 1.819 300 C HN 0.751 nan 8.230 nan 0.000 0.578 301 D N 0.874 121.198 120.400 -0.127 0.000 2.505 301 D HA 0.359 4.997 4.640 -0.003 0.000 0.250 301 D C -1.946 174.328 176.300 -0.044 0.000 1.164 301 D CA -1.906 52.029 54.000 -0.108 0.000 0.870 301 D CB 1.997 42.761 40.800 -0.061 0.000 1.160 301 D HN -0.110 nan 8.370 nan 0.000 0.549 302 P HA -0.094 nan 4.420 nan 0.000 0.217 302 P C 1.684 178.988 177.300 0.006 0.000 1.148 302 P CA 0.859 63.951 63.100 -0.013 0.000 0.828 302 P CB 0.377 32.074 31.700 -0.004 0.000 0.783 303 L N -0.788 120.453 121.223 0.029 0.000 2.141 303 L HA -0.164 4.174 4.340 -0.003 0.000 0.209 303 L C 2.351 179.242 176.870 0.035 0.000 1.094 303 L CA 1.463 56.337 54.840 0.058 0.000 0.763 303 L CB -0.770 41.362 42.059 0.122 0.000 0.908 303 L HN 0.053 nan 8.230 nan 0.000 0.437 304 E N 0.175 120.386 120.200 0.017 0.000 2.046 304 E HA -0.174 4.174 4.350 -0.003 0.000 0.190 304 E C 2.365 178.937 176.600 -0.046 0.000 0.982 304 E CA 1.055 57.447 56.400 -0.013 0.000 0.800 304 E CB -0.167 29.527 29.700 -0.010 0.000 0.756 304 E HN 0.472 nan 8.360 nan 0.000 0.449 305 A N 1.592 124.387 122.820 -0.043 0.000 1.908 305 A HA -0.165 4.153 4.320 -0.003 0.000 0.218 305 A C 2.384 179.937 177.584 -0.051 0.000 1.181 305 A CA 1.817 53.821 52.037 -0.056 0.000 0.627 305 A CB -0.654 18.320 19.000 -0.044 0.000 0.818 305 A HN 0.296 nan 8.150 nan 0.000 0.445 306 A N 0.534 123.336 122.820 -0.029 0.000 1.898 306 A HA -0.145 4.174 4.320 -0.003 0.000 0.216 306 A C 2.194 179.759 177.584 -0.031 0.000 1.181 306 A CA 1.653 53.677 52.037 -0.022 0.000 0.620 306 A CB -0.417 18.583 19.000 -0.000 0.000 0.819 306 A HN 0.720 nan 8.150 nan 0.000 0.442 307 R N -0.669 119.812 120.500 -0.031 0.000 2.300 307 R HA 0.464 4.802 4.340 -0.003 0.000 0.199 307 R C 0.779 177.032 176.300 -0.078 0.000 0.920 307 R CA 0.561 56.641 56.100 -0.032 0.000 1.046 307 R CB -0.461 29.840 30.300 0.001 0.000 0.984 307 R HN 0.260 nan 8.270 nan 0.000 0.493 308 A N 3.057 125.806 122.820 -0.118 0.000 2.566 308 A HA 0.141 4.460 4.320 -0.003 0.000 0.245 308 A C -1.620 175.836 177.584 -0.215 0.000 1.056 308 A CA -1.046 50.875 52.037 -0.193 0.000 0.757 308 A CB 0.168 19.039 19.000 -0.214 0.000 0.979 308 A HN 0.246 nan 8.150 nan 0.000 0.508 309 P HA 0.042 nan 4.420 nan 0.000 0.245 309 P C -0.083 176.982 177.300 -0.391 0.000 1.212 309 P CA 0.825 63.653 63.100 -0.454 0.000 0.774 309 P CB -0.023 31.060 31.700 -1.027 0.000 0.999 310 M N -3.084 116.339 119.600 -0.295 0.000 2.682 310 M HA 0.650 5.128 4.480 -0.003 0.000 0.272 310 M C -0.429 175.788 176.300 -0.138 0.000 1.232 310 M CA -0.408 54.790 55.300 -0.169 0.000 0.849 310 M CB 1.172 33.706 32.600 -0.110 0.000 1.695 310 M HN 0.046 nan 8.290 nan 0.000 0.481 311 G N 1.639 110.389 108.800 -0.083 0.000 2.707 311 G HA2 -0.019 3.939 3.960 -0.003 0.000 0.686 311 G HA3 -0.019 3.939 3.960 -0.003 0.000 0.686 311 G C -1.562 173.298 174.900 -0.067 0.000 1.315 311 G CA -0.399 44.659 45.100 -0.071 0.000 0.832 311 G HN 0.987 nan 8.290 nan 0.000 0.573 312 D N 0.081 120.450 120.400 -0.051 0.000 2.348 312 D HA 0.727 5.365 4.640 -0.003 0.000 0.249 312 D C 0.690 176.957 176.300 -0.056 0.000 1.110 312 D CA 0.967 54.940 54.000 -0.045 0.000 0.967 312 D CB 1.649 42.431 40.800 -0.029 0.000 1.139 312 D HN 1.263 nan 8.370 nan 0.000 0.466 313 A N 0.668 123.459 122.820 -0.049 0.000 2.539 313 A HA 0.724 5.042 4.320 -0.003 0.000 0.296 313 A C -1.112 176.449 177.584 -0.038 0.000 1.073 313 A CA -0.619 51.387 52.037 -0.052 0.000 0.700 313 A CB 1.180 20.142 19.000 -0.063 0.000 1.296 313 A HN 0.462 nan 8.150 nan 0.000 0.405 314 I N 1.322 121.870 120.570 -0.037 0.000 2.478 314 I HA 0.370 4.538 4.170 -0.003 0.000 0.287 314 I C -0.905 175.193 176.117 -0.033 0.000 1.042 314 I CA -0.805 60.478 61.300 -0.029 0.000 1.067 314 I CB 2.254 40.240 38.000 -0.023 0.000 1.233 314 I HN 0.318 nan 8.210 nan 0.000 0.431 315 V N 5.943 125.837 119.914 -0.033 0.000 2.348 315 V HA 0.855 4.974 4.120 -0.003 0.000 0.270 315 V C 0.272 176.344 176.094 -0.036 0.000 1.037 315 V CA -0.081 62.196 62.300 -0.038 0.000 0.872 315 V CB 0.622 32.423 31.823 -0.038 0.000 1.002 315 V HN 0.877 nan 8.190 nan 0.000 0.464 316 A N 3.657 126.453 122.820 -0.040 0.000 2.564 316 A HA 0.611 4.929 4.320 -0.003 0.000 0.291 316 A C -1.132 176.428 177.584 -0.040 0.000 1.102 316 A CA -0.782 51.234 52.037 -0.034 0.000 0.660 316 A CB 1.057 20.043 19.000 -0.024 0.000 1.283 316 A HN 0.709 nan 8.150 nan 0.000 0.430 317 D N 0.179 120.560 120.400 -0.032 0.000 2.425 317 D HA 0.294 4.932 4.640 -0.003 0.000 0.247 317 D C 1.087 177.375 176.300 -0.019 0.000 1.147 317 D CA -0.328 53.653 54.000 -0.030 0.000 0.879 317 D CB 0.366 41.154 40.800 -0.020 0.000 1.179 317 D HN 0.281 nan 8.370 nan 0.000 0.456 318 I N 3.709 124.268 120.570 -0.018 0.000 2.252 318 I HA -0.049 4.119 4.170 -0.003 0.000 0.245 318 I C 2.309 178.430 176.117 0.007 0.000 1.102 318 I CA 1.079 62.378 61.300 -0.003 0.000 1.385 318 I CB -1.607 36.396 38.000 0.005 0.000 1.064 318 I HN 0.685 nan 8.210 nan 0.000 0.414 319 G N 0.827 109.631 108.800 0.007 0.000 2.421 319 G HA2 -0.212 3.746 3.960 -0.003 0.000 0.216 319 G HA3 -0.212 3.746 3.960 -0.003 0.000 0.216 319 G C 1.859 176.764 174.900 0.010 0.000 1.171 319 G CA 1.087 46.194 45.100 0.012 0.000 0.775 319 G HN 0.481 nan 8.290 nan 0.000 0.543 320 A N 0.194 123.017 122.820 0.006 0.000 1.898 320 A HA 0.082 4.400 4.320 -0.003 0.000 0.216 320 A C 2.444 180.031 177.584 0.005 0.000 1.181 320 A CA 1.867 53.907 52.037 0.005 0.000 0.620 320 A CB -0.300 18.701 19.000 0.003 0.000 0.819 320 A HN 0.301 nan 8.150 nan 0.000 0.442 321 M N -0.513 119.089 119.600 0.003 0.000 2.156 321 M HA -0.046 4.432 4.480 -0.003 0.000 0.264 321 M C 2.538 178.844 176.300 0.010 0.000 1.067 321 M CA 1.534 56.836 55.300 0.004 0.000 1.131 321 M CB -1.425 31.175 32.600 -0.000 0.000 1.368 321 M HN 0.479 nan 8.290 nan 0.000 0.416 322 A N -0.615 122.214 122.820 0.014 0.000 1.902 322 A HA -0.153 4.165 4.320 -0.003 0.000 0.217 322 A C 2.483 180.079 177.584 0.020 0.000 1.181 322 A CA 2.254 54.304 52.037 0.022 0.000 0.623 322 A CB -0.931 18.086 19.000 0.030 0.000 0.818 322 A HN 0.488 nan 8.150 nan 0.000 0.443 323 S N -0.455 115.254 115.700 0.015 0.000 2.356 323 S HA -0.051 4.417 4.470 -0.003 0.000 0.223 323 S C 2.204 176.811 174.600 0.012 0.000 1.032 323 S CA 1.646 59.853 58.200 0.013 0.000 1.005 323 S CB -0.502 62.704 63.200 0.011 0.000 0.867 323 S HN 0.816 nan 8.310 nan 0.000 0.449 324 A N 1.471 124.297 122.820 0.010 0.000 1.877 324 A HA 0.036 4.355 4.320 -0.003 0.000 0.216 324 A C 2.245 179.836 177.584 0.011 0.000 1.186 324 A CA 1.544 53.586 52.037 0.009 0.000 0.620 324 A CB -0.914 18.089 19.000 0.006 0.000 0.822 324 A HN 0.570 nan 8.150 nan 0.000 0.443 325 L N -0.745 120.485 121.223 0.012 0.000 2.017 325 L HA -0.209 4.129 4.340 -0.003 0.000 0.208 325 L C 3.114 179.995 176.870 0.018 0.000 1.073 325 L CA 1.135 55.983 54.840 0.015 0.000 0.745 325 L CB -0.598 41.470 42.059 0.016 0.000 0.894 325 L HN 0.441 nan 8.230 nan 0.000 0.432 326 A N -0.026 122.807 122.820 0.021 0.000 1.940 326 A HA -0.204 4.114 4.320 -0.003 0.000 0.219 326 A C 1.998 179.594 177.584 0.019 0.000 1.176 326 A CA 1.881 53.932 52.037 0.023 0.000 0.631 326 A CB -0.506 18.509 19.000 0.024 0.000 0.814 326 A HN 0.487 nan 8.150 nan 0.000 0.446 327 N N -0.808 117.901 118.700 0.015 0.000 2.422 327 N HA 0.125 4.864 4.740 -0.003 0.000 0.181 327 N C 1.325 176.842 175.510 0.012 0.000 1.080 327 N CA 0.588 53.646 53.050 0.013 0.000 0.893 327 N CB 0.184 38.677 38.487 0.010 0.000 0.973 327 N HN 0.480 nan 8.380 nan 0.000 0.456 328 L N 0.564 121.794 121.223 0.013 0.000 2.425 328 L HA 0.140 4.478 4.340 -0.003 0.000 0.215 328 L C 0.783 177.660 176.870 0.013 0.000 1.065 328 L CA 0.023 54.870 54.840 0.011 0.000 0.842 328 L CB 0.090 42.154 42.059 0.010 0.000 1.033 328 L HN -0.111 nan 8.230 nan 0.000 0.474 329 V N -1.360 118.564 119.914 0.016 0.000 2.963 329 V HA 0.102 4.220 4.120 -0.003 0.000 0.306 329 V C 0.271 176.376 176.094 0.018 0.000 1.077 329 V CA -0.890 61.421 62.300 0.017 0.000 1.124 329 V CB 0.378 32.213 31.823 0.021 0.000 0.987 329 V HN 0.159 nan 8.190 nan 0.000 0.487 330 E N 1.191 121.401 120.200 0.018 0.000 2.390 330 E HA 0.183 4.531 4.350 -0.003 0.000 0.261 330 E C -0.200 176.413 176.600 0.021 0.000 1.076 330 E CA -0.244 56.167 56.400 0.018 0.000 0.905 330 E CB 0.664 30.373 29.700 0.016 0.000 0.984 330 E HN 0.890 nan 8.360 nan 0.000 0.427 331 E N 1.712 121.924 120.200 0.020 0.000 2.166 331 E HA 0.017 4.365 4.350 -0.003 0.000 0.279 331 E C -0.731 175.882 176.600 0.022 0.000 1.095 331 E CA -0.037 56.377 56.400 0.023 0.000 0.888 331 E CB 0.545 30.258 29.700 0.021 0.000 1.041 331 E HN 0.294 nan 8.360 nan 0.000 0.414 332 S N 3.054 118.769 115.700 0.026 0.000 2.572 332 S HA 0.044 4.512 4.470 -0.003 0.000 0.279 332 S C 0.985 175.598 174.600 0.023 0.000 1.341 332 S CA 0.137 58.352 58.200 0.025 0.000 1.043 332 S CB 0.520 63.737 63.200 0.029 0.000 0.887 332 S HN 0.634 nan 8.310 nan 0.000 0.516 333 S N 4.092 119.803 115.700 0.019 0.000 2.593 333 S HA 0.203 4.671 4.470 -0.003 0.000 0.217 333 S C 0.665 175.275 174.600 0.017 0.000 0.966 333 S CA -0.359 57.851 58.200 0.016 0.000 0.914 333 S CB -0.118 63.090 63.200 0.013 0.000 0.776 333 S HN 0.703 nan 8.310 nan 0.000 0.523 334 R N 1.575 122.087 120.500 0.020 0.000 2.738 334 R HA 0.197 4.535 4.340 -0.003 0.000 0.268 334 R C 0.101 176.414 176.300 0.020 0.000 1.062 334 R CA -0.182 55.930 56.100 0.021 0.000 1.158 334 R CB 0.231 30.547 30.300 0.026 0.000 1.046 334 R HN 0.354 nan 8.270 nan 0.000 0.493 335 Q N 1.539 121.350 119.800 0.018 0.000 2.352 335 Q HA 0.058 4.396 4.340 -0.003 0.000 0.260 335 Q C -0.227 175.785 176.000 0.020 0.000 0.976 335 Q CA -0.369 55.443 55.803 0.015 0.000 0.881 335 Q CB 0.734 29.478 28.738 0.010 0.000 1.235 335 Q HN 0.299 nan 8.270 nan 0.000 0.419 336 L N 4.692 125.927 121.223 0.020 0.000 2.490 336 L HA 0.115 4.453 4.340 -0.003 0.000 0.274 336 L C -2.072 174.808 176.870 0.017 0.000 1.201 336 L CA -0.739 54.117 54.840 0.027 0.000 0.869 336 L CB -0.021 42.051 42.059 0.022 0.000 1.123 336 L HN 0.431 nan 8.230 nan 0.000 0.484 337 P HA 0.038 nan 4.420 nan 0.000 0.266 337 P C -0.947 176.350 177.300 -0.005 0.000 1.193 337 P CA 0.072 63.174 63.100 0.003 0.000 0.770 337 P CB 0.248 31.942 31.700 -0.009 0.000 0.836 338 T N 1.709 116.255 114.554 -0.013 0.000 2.856 338 T HA 0.442 4.790 4.350 -0.003 0.000 0.292 338 T C 0.340 175.030 174.700 -0.017 0.000 0.980 338 T CA -0.359 61.731 62.100 -0.017 0.000 1.091 338 T CB 0.637 69.496 68.868 -0.014 0.000 0.936 338 T HN 0.463 nan 8.240 nan 0.000 0.503 339 A N 2.580 125.391 122.820 -0.015 0.000 2.531 339 A HA 0.533 4.851 4.320 -0.003 0.000 0.236 339 A C 0.900 178.485 177.584 0.002 0.000 1.062 339 A CA -0.451 51.587 52.037 0.001 0.000 0.760 339 A CB -0.303 18.695 19.000 -0.004 0.000 0.995 339 A HN 1.108 nan 8.150 nan 0.000 0.501 340 A N 4.023 126.851 122.820 0.012 0.000 2.531 340 A HA 0.497 4.815 4.320 -0.003 0.000 0.236 340 A C -1.368 176.225 177.584 0.015 0.000 1.062 340 A CA -0.702 51.339 52.037 0.006 0.000 0.760 340 A CB -0.669 18.338 19.000 0.012 0.000 0.995 340 A HN 0.787 nan 8.150 nan 0.000 0.501 341 P HA 0.242 nan 4.420 nan 0.000 0.272 341 P C -0.251 177.059 177.300 0.017 0.000 1.240 341 P CA -0.353 62.753 63.100 0.010 0.000 0.791 341 P CB 0.432 32.135 31.700 0.006 0.000 0.978 342 E N 1.352 121.562 120.200 0.016 0.000 2.415 342 E HA 0.151 4.499 4.350 -0.003 0.000 0.262 342 E C -1.849 174.763 176.600 0.019 0.000 1.038 342 E CA -0.922 55.489 56.400 0.019 0.000 0.921 342 E CB -0.720 28.989 29.700 0.016 0.000 0.950 342 E HN 0.335 nan 8.360 nan 0.000 0.438 343 P HA 0.156 nan 4.420 nan 0.000 0.272 343 P C -1.320 175.991 177.300 0.019 0.000 1.230 343 P CA -0.342 62.772 63.100 0.022 0.000 0.788 343 P CB 0.787 32.505 31.700 0.029 0.000 0.949 344 A N 1.755 124.584 122.820 0.015 0.000 2.386 344 A HA 0.196 4.514 4.320 -0.003 0.000 0.248 344 A C 0.353 177.943 177.584 0.011 0.000 1.082 344 A CA -0.323 51.719 52.037 0.010 0.000 0.789 344 A CB -0.119 18.884 19.000 0.004 0.000 1.025 344 A HN 0.539 nan 8.150 nan 0.000 0.490 345 K N 2.248 122.653 120.400 0.007 0.000 2.312 345 K HA 0.397 4.716 4.320 -0.003 0.000 0.287 345 K C -0.751 175.841 176.600 -0.014 0.000 1.062 345 K CA -0.376 55.914 56.287 0.006 0.000 0.934 345 K CB 0.442 32.947 32.500 0.009 0.000 1.027 345 K HN 0.442 nan 8.250 nan 0.000 0.478 346 V N 4.324 124.219 119.914 -0.030 0.000 2.637 346 V HA -0.046 4.073 4.120 -0.003 0.000 0.296 346 V C -0.036 176.001 176.094 -0.095 0.000 1.046 346 V CA -0.290 61.953 62.300 -0.095 0.000 1.066 346 V CB 0.891 32.614 31.823 -0.166 0.000 0.968 346 V HN 0.818 nan 8.190 nan 0.000 0.483 347 D N 3.465 123.802 120.400 -0.105 0.000 2.493 347 D HA 0.247 4.886 4.640 -0.003 0.000 0.240 347 D C 0.031 176.313 176.300 -0.030 0.000 1.142 347 D CA 0.499 54.467 54.000 -0.052 0.000 0.872 347 D CB 0.495 41.275 40.800 -0.035 0.000 1.173 347 D HN 0.574 nan 8.370 nan 0.000 0.467 348 Q N 2.198 122.028 119.800 0.050 0.000 2.290 348 Q HA 0.253 4.591 4.340 -0.003 0.000 0.269 348 Q C -1.292 174.765 176.000 0.096 0.000 1.016 348 Q CA -0.834 55.049 55.803 0.133 0.000 0.754 348 Q CB 1.071 29.881 28.738 0.119 0.000 1.247 348 Q HN 0.381 nan 8.270 nan 0.000 0.451 349 D N 2.152 122.615 120.400 0.106 0.000 2.440 349 D HA 0.320 4.958 4.640 -0.003 0.000 0.269 349 D C 0.121 176.449 176.300 0.048 0.000 1.249 349 D CA -0.093 53.945 54.000 0.065 0.000 1.055 349 D CB 0.395 41.231 40.800 0.059 0.000 1.104 349 D HN 0.466 nan 8.370 nan 0.000 0.561 350 A N -1.116 121.724 122.820 0.033 0.000 2.302 350 A HA 0.469 4.788 4.320 -0.003 0.000 0.219 350 A C 1.007 178.601 177.584 0.016 0.000 1.243 350 A CA 0.440 52.491 52.037 0.024 0.000 0.856 350 A CB -1.016 17.996 19.000 0.020 0.000 0.893 350 A HN 0.556 nan 8.150 nan 0.000 0.491 351 G N -0.580 108.228 108.800 0.013 0.000 2.945 351 G HA2 0.428 4.386 3.960 -0.003 0.000 0.156 351 G HA3 0.428 4.386 3.960 -0.003 0.000 0.156 351 G C 0.008 174.897 174.900 -0.019 0.000 1.375 351 G CA -0.983 44.116 45.100 -0.001 0.000 1.039 351 G HN 0.414 nan 8.290 nan 0.000 0.586 352 R N -0.739 119.736 120.500 -0.042 0.000 2.698 352 R HA 0.184 4.523 4.340 -0.003 0.000 0.266 352 R C -0.553 175.678 176.300 -0.116 0.000 1.026 352 R CA -0.095 55.964 56.100 -0.069 0.000 1.102 352 R CB 0.271 30.525 30.300 -0.076 0.000 0.978 352 R HN 0.171 nan 8.270 nan 0.000 0.436 353 L N 3.581 124.746 121.223 -0.097 0.000 2.331 353 L HA 0.136 4.474 4.340 -0.003 0.000 0.278 353 L C 0.634 177.421 176.870 -0.139 0.000 1.106 353 L CA -0.135 54.654 54.840 -0.084 0.000 0.824 353 L CB 0.468 42.496 42.059 -0.050 0.000 1.142 353 L HN 0.368 nan 8.230 nan 0.000 0.443 354 H N 4.280 123.349 119.070 -0.003 0.000 2.848 354 H HA 0.041 4.596 4.556 -0.003 0.000 0.341 354 H C -1.517 173.797 175.328 -0.022 0.000 1.060 354 H CA -1.346 54.706 56.048 0.007 0.000 1.444 354 H CB 0.986 30.763 29.762 0.025 0.000 1.446 354 H HN 0.408 nan 8.280 nan 0.000 0.583 355 P HA -0.157 nan 4.420 nan 0.000 0.216 355 P C 1.065 178.378 177.300 0.021 0.000 1.150 355 P CA 1.278 64.365 63.100 -0.021 0.000 0.843 355 P CB 0.402 32.175 31.700 0.121 0.000 0.787 356 E N -1.037 119.271 120.200 0.180 0.000 2.118 356 E HA -0.138 4.210 4.350 -0.003 0.000 0.195 356 E C 1.977 178.654 176.600 0.127 0.000 0.992 356 E CA 1.724 58.247 56.400 0.205 0.000 0.804 356 E CB -1.359 28.420 29.700 0.133 0.000 0.741 356 E HN 0.249 nan 8.360 nan 0.000 0.458 357 T N 0.198 114.804 114.554 0.087 0.000 2.746 357 T HA -0.131 4.217 4.350 -0.003 0.000 0.267 357 T C 2.015 176.712 174.700 -0.005 0.000 1.039 357 T CA 1.271 63.403 62.100 0.053 0.000 1.142 357 T CB -0.325 68.587 68.868 0.072 0.000 0.866 357 T HN -0.020 nan 8.240 nan 0.000 0.444 358 V N 0.932 120.782 119.914 -0.106 0.000 2.295 358 V HA -0.138 3.980 4.120 -0.003 0.000 0.246 358 V C 2.177 178.151 176.094 -0.201 0.000 1.049 358 V CA 1.674 63.842 62.300 -0.220 0.000 1.024 358 V CB -0.853 30.722 31.823 -0.413 0.000 0.648 358 V HN 0.368 nan 8.190 nan 0.000 0.447 359 F N 0.609 120.567 119.950 0.012 0.000 2.186 359 F HA -0.109 4.416 4.527 -0.003 0.000 0.299 359 F C 2.271 178.057 175.800 -0.023 0.000 1.090 359 F CA 1.346 59.329 58.000 -0.028 0.000 1.307 359 F CB -0.892 38.079 39.000 -0.048 0.000 1.019 359 F HN 0.196 nan 8.300 nan 0.000 0.489 360 D N -0.434 120.059 120.400 0.156 0.000 2.117 360 D HA -0.129 4.509 4.640 -0.003 0.000 0.197 360 D C 2.289 178.631 176.300 0.071 0.000 0.987 360 D CA 1.842 55.899 54.000 0.094 0.000 0.829 360 D CB -0.725 40.118 40.800 0.072 0.000 0.961 360 D HN 0.189 nan 8.370 nan 0.000 0.460 361 T N 0.914 115.501 114.554 0.055 0.000 2.777 361 T HA -0.031 4.317 4.350 -0.003 0.000 0.266 361 T C 2.241 176.979 174.700 0.064 0.000 1.040 361 T CA 0.412 62.539 62.100 0.044 0.000 1.141 361 T CB -0.246 68.636 68.868 0.023 0.000 0.868 361 T HN 0.104 nan 8.240 nan 0.000 0.444 362 L N 1.218 122.491 121.223 0.083 0.000 2.012 362 L HA -0.164 4.174 4.340 -0.003 0.000 0.210 362 L C 2.641 179.607 176.870 0.161 0.000 1.073 362 L CA 1.392 56.319 54.840 0.144 0.000 0.748 362 L CB -0.600 41.584 42.059 0.208 0.000 0.891 362 L HN 0.266 nan 8.230 nan 0.000 0.431 363 N N -0.077 118.695 118.700 0.121 0.000 2.166 363 N HA -0.210 4.529 4.740 -0.003 0.000 0.186 363 N C 1.450 177.010 175.510 0.082 0.000 1.019 363 N CA 1.481 54.591 53.050 0.100 0.000 0.856 363 N CB -0.011 38.507 38.487 0.052 0.000 0.993 363 N HN 0.213 nan 8.380 nan 0.000 0.426 364 D N -0.587 119.853 120.400 0.067 0.000 2.144 364 D HA -0.091 4.547 4.640 -0.003 0.000 0.200 364 D C 1.658 177.987 176.300 0.048 0.000 0.978 364 D CA 1.121 55.151 54.000 0.049 0.000 0.833 364 D CB -0.023 40.801 40.800 0.041 0.000 0.961 364 D HN 0.467 nan 8.370 nan 0.000 0.470 365 M N -0.161 119.473 119.600 0.058 0.000 2.567 365 M HA 0.217 4.696 4.480 -0.003 0.000 0.261 365 M C 0.885 177.212 176.300 0.045 0.000 1.180 365 M CA -0.094 55.233 55.300 0.045 0.000 1.143 365 M CB 0.596 33.221 32.600 0.041 0.000 1.319 365 M HN -0.192 nan 8.290 nan 0.000 0.490 366 A N 2.571 125.434 122.820 0.072 0.000 2.425 366 A HA 0.384 4.702 4.320 -0.003 0.000 0.242 366 A C -2.096 175.503 177.584 0.026 0.000 1.077 366 A CA -1.062 51.005 52.037 0.051 0.000 0.781 366 A CB -0.722 18.342 19.000 0.106 0.000 1.020 366 A HN 0.119 nan 8.150 nan 0.000 0.494 367 P HA 0.094 nan 4.420 nan 0.000 0.270 367 P C 0.102 177.396 177.300 -0.011 0.000 1.223 367 P CA -0.061 63.029 63.100 -0.016 0.000 0.785 367 P CB 0.518 32.196 31.700 -0.037 0.000 0.923 368 E N 0.765 120.962 120.200 -0.005 0.000 2.338 368 E HA -0.152 4.197 4.350 -0.003 0.000 0.197 368 E C 0.873 177.464 176.600 -0.014 0.000 1.007 368 E CA 0.866 57.266 56.400 0.000 0.000 0.849 368 E CB -0.193 29.505 29.700 -0.004 0.000 0.774 368 E HN 0.509 nan 8.360 nan 0.000 0.506 369 N N 0.337 119.017 118.700 -0.034 0.000 2.273 369 N HA 0.110 4.848 4.740 -0.003 0.000 0.231 369 N C -0.198 175.260 175.510 -0.087 0.000 1.134 369 N CA -0.085 52.937 53.050 -0.047 0.000 0.856 369 N CB 0.156 38.620 38.487 -0.039 0.000 1.068 369 N HN -0.075 nan 8.380 nan 0.000 0.510 370 A N 0.769 123.508 122.820 -0.135 0.000 2.507 370 A HA 0.402 4.720 4.320 -0.003 0.000 0.235 370 A C 0.092 177.480 177.584 -0.327 0.000 1.070 370 A CA -0.016 51.847 52.037 -0.290 0.000 0.768 370 A CB 0.036 18.748 19.000 -0.480 0.000 1.011 370 A HN 0.410 nan 8.150 nan 0.000 0.502 371 I N 0.825 121.180 120.570 -0.359 0.000 2.406 371 I HA 0.356 4.524 4.170 -0.003 0.000 0.290 371 I C -1.212 174.719 176.117 -0.311 0.000 0.999 371 I CA -0.292 60.883 61.300 -0.208 0.000 1.124 371 I CB 1.462 39.447 38.000 -0.025 0.000 1.289 371 I HN 0.608 nan 8.210 nan 0.000 0.441 372 Y N 5.947 126.272 120.300 0.043 0.000 2.420 372 Y HA 0.657 5.205 4.550 -0.003 0.000 0.334 372 Y C -0.429 175.475 175.900 0.006 0.000 1.094 372 Y CA -0.819 57.301 58.100 0.033 0.000 1.126 372 Y CB 1.488 39.979 38.460 0.052 0.000 1.217 372 Y HN 0.297 nan 8.280 nan 0.000 0.462 373 L N 2.502 123.821 121.223 0.160 0.000 2.354 373 L HA 0.475 4.813 4.340 -0.003 0.000 0.269 373 L C -0.691 176.235 176.870 0.094 0.000 1.005 373 L CA -0.687 54.195 54.840 0.069 0.000 0.819 373 L CB 1.699 43.803 42.059 0.074 0.000 1.311 373 L HN 0.575 nan 8.230 nan 0.000 0.423 374 N N 1.231 119.967 118.700 0.060 0.000 2.442 374 N HA 0.300 5.038 4.740 -0.003 0.000 0.274 374 N C -0.885 174.812 175.510 0.312 0.000 1.002 374 N CA -0.239 52.942 53.050 0.218 0.000 0.910 374 N CB 1.344 39.991 38.487 0.267 0.000 1.244 374 N HN 0.686 nan 8.380 nan 0.000 0.492 375 E N 1.901 122.257 120.200 0.260 0.000 4.017 375 E HA 0.155 4.503 4.350 -0.003 0.000 0.205 375 E C -1.263 175.475 176.600 0.230 0.000 1.054 375 E CA -0.116 56.420 56.400 0.228 0.000 1.398 375 E CB 0.213 30.003 29.700 0.149 0.000 1.164 375 E HN 0.344 nan 8.360 nan 0.000 0.445 376 S N 0.284 116.151 115.700 0.278 0.000 2.426 376 S HA 0.098 4.566 4.470 -0.003 0.000 0.236 376 S C 1.196 175.959 174.600 0.271 0.000 1.368 376 S CA -0.255 58.098 58.200 0.255 0.000 1.154 376 S CB 0.388 63.757 63.200 0.280 0.000 1.037 376 S HN 0.411 nan 8.310 nan 0.000 0.481 377 T N 0.701 115.406 114.554 0.252 0.000 2.915 377 T HA -0.116 4.233 4.350 -0.003 0.000 0.269 377 T C 1.835 176.648 174.700 0.189 0.000 1.071 377 T CA 1.394 63.649 62.100 0.258 0.000 1.132 377 T CB -0.445 68.555 68.868 0.220 0.000 0.878 377 T HN 0.657 nan 8.240 nan 0.000 0.479 378 S N 1.486 117.287 115.700 0.168 0.000 2.558 378 S HA 0.038 4.506 4.470 -0.003 0.000 0.217 378 S C 1.726 176.379 174.600 0.089 0.000 0.975 378 S CA 0.460 58.724 58.200 0.107 0.000 0.912 378 S CB -0.613 62.666 63.200 0.132 0.000 0.776 378 S HN 0.721 nan 8.310 nan 0.000 0.526 379 T N -3.029 111.620 114.554 0.159 0.000 3.132 379 T HA 0.230 4.578 4.350 -0.003 0.000 0.274 379 T C 1.224 175.997 174.700 0.123 0.000 1.011 379 T CA 0.215 62.437 62.100 0.203 0.000 0.899 379 T CB -0.188 68.920 68.868 0.399 0.000 1.089 379 T HN 0.169 nan 8.240 nan 0.000 0.543 380 T N 2.319 116.927 114.554 0.089 0.000 2.684 380 T HA -0.033 4.315 4.350 -0.003 0.000 0.267 380 T C 2.402 177.140 174.700 0.064 0.000 1.036 380 T CA 1.630 63.774 62.100 0.073 0.000 1.148 380 T CB -0.711 68.191 68.868 0.056 0.000 0.863 380 T HN 0.634 nan 8.240 nan 0.000 0.436 381 A N 1.335 124.161 122.820 0.010 0.000 1.908 381 A HA -0.203 4.115 4.320 -0.003 0.000 0.218 381 A C 2.294 179.876 177.584 -0.002 0.000 1.181 381 A CA 1.798 53.832 52.037 -0.005 0.000 0.627 381 A CB -0.694 18.272 19.000 -0.057 0.000 0.818 381 A HN 0.501 nan 8.150 nan 0.000 0.445 382 Q N -1.100 118.684 119.800 -0.028 0.000 2.079 382 Q HA -0.066 4.272 4.340 -0.003 0.000 0.200 382 Q C 2.130 177.967 176.000 -0.272 0.000 0.974 382 Q CA 1.623 57.402 55.803 -0.040 0.000 0.840 382 Q CB -0.412 28.389 28.738 0.105 0.000 0.898 382 Q HN 0.771 nan 8.270 nan 0.000 0.430 383 M N -1.011 118.207 119.600 -0.637 0.000 2.080 383 M HA -0.207 4.271 4.480 -0.003 0.000 0.260 383 M C 1.195 177.149 176.300 -0.576 0.000 1.068 383 M CA 1.707 56.307 55.300 -1.167 0.000 1.109 383 M CB -0.132 31.781 32.600 -1.145 0.000 1.342 383 M HN 0.294 nan 8.290 nan 0.000 0.405 384 W N 0.674 121.742 121.300 -0.386 0.000 2.374 384 W HA -0.183 4.476 4.660 -0.002 0.000 0.288 384 W C 2.346 178.770 176.519 -0.159 0.000 1.218 384 W CA 1.349 58.529 57.345 -0.275 0.000 1.245 384 W CB -0.159 29.164 29.460 -0.228 0.000 1.126 384 W HN 0.366 nan 8.180 nan 0.000 0.545 385 Q N -0.753 119.092 119.800 0.074 0.000 2.311 385 Q HA -0.032 4.306 4.340 -0.003 0.000 0.203 385 Q C 1.849 177.854 176.000 0.008 0.000 0.954 385 Q CA 0.890 56.730 55.803 0.061 0.000 0.885 385 Q CB -0.040 28.721 28.738 0.037 0.000 0.963 385 Q HN 0.309 nan 8.270 nan 0.000 0.471 386 R N -0.630 119.827 120.500 -0.071 0.000 2.335 386 R HA 0.249 4.587 4.340 -0.003 0.000 0.210 386 R C -0.142 176.108 176.300 -0.083 0.000 0.892 386 R CA -0.042 56.032 56.100 -0.043 0.000 1.048 386 R CB 0.770 31.085 30.300 0.026 0.000 1.067 386 R HN 0.057 nan 8.270 nan 0.000 0.524 387 L N 1.664 122.769 121.223 -0.197 0.000 2.265 387 L HA 0.290 4.628 4.340 -0.003 0.000 0.289 387 L C -0.364 176.409 176.870 -0.161 0.000 1.033 387 L CA -0.523 54.168 54.840 -0.248 0.000 0.814 387 L CB 1.492 43.212 42.059 -0.565 0.000 1.203 387 L HN 0.097 nan 8.230 nan 0.000 0.423 388 N N 4.824 123.481 118.700 -0.071 0.000 2.399 388 N HA 0.276 5.014 4.740 -0.003 0.000 0.259 388 N C -0.772 174.719 175.510 -0.033 0.000 1.160 388 N CA -0.337 52.683 53.050 -0.050 0.000 0.946 388 N CB 0.498 38.976 38.487 -0.015 0.000 1.156 388 N HN 0.558 nan 8.380 nan 0.000 0.489 389 M N 3.676 123.222 119.600 -0.091 0.000 2.060 389 M HA 0.233 4.712 4.480 -0.003 0.000 0.342 389 M C 0.788 177.025 176.300 -0.105 0.000 1.031 389 M CA -0.439 54.822 55.300 -0.065 0.000 0.981 389 M CB 1.499 34.034 32.600 -0.108 0.000 1.376 389 M HN 0.479 nan 8.290 nan 0.000 0.397 390 R N 0.370 120.827 120.500 -0.071 0.000 2.161 390 R HA 0.126 4.465 4.340 -0.003 0.000 0.213 390 R C 0.335 176.576 176.300 -0.099 0.000 1.055 390 R CA 0.710 56.757 56.100 -0.089 0.000 0.996 390 R CB 0.215 30.480 30.300 -0.059 0.000 0.901 390 R HN 0.594 nan 8.270 nan 0.000 0.456 391 N N 0.875 119.532 118.700 -0.072 0.000 2.443 391 N HA 0.299 5.038 4.740 -0.003 0.000 0.293 391 N C -2.621 172.855 175.510 -0.055 0.000 1.159 391 N CA -1.704 51.309 53.050 -0.061 0.000 0.904 391 N CB 1.187 39.650 38.487 -0.040 0.000 1.214 391 N HN -0.219 nan 8.380 nan 0.000 0.513 392 P HA 0.096 nan 4.420 nan 0.000 0.271 392 P C 0.485 177.781 177.300 -0.007 0.000 1.244 392 P CA 0.268 63.354 63.100 -0.023 0.000 0.793 392 P CB 0.262 31.955 31.700 -0.011 0.000 0.984 393 G N 0.315 109.113 108.800 -0.003 0.000 2.305 393 G HA2 -0.259 3.700 3.960 -0.003 0.000 0.287 393 G HA3 -0.259 3.700 3.960 -0.003 0.000 0.287 393 G C 0.621 175.531 174.900 0.016 0.000 1.036 393 G CA 0.491 45.610 45.100 0.032 0.000 0.887 393 G HN 0.443 nan 8.290 nan 0.000 0.505 394 S N -1.528 114.139 115.700 -0.055 0.000 2.539 394 S HA 0.389 4.858 4.470 -0.003 0.000 0.221 394 S C -0.075 174.562 174.600 0.062 0.000 0.987 394 S CA 0.224 58.431 58.200 0.011 0.000 0.929 394 S CB 0.510 63.721 63.200 0.020 0.000 0.832 394 S HN 0.783 nan 8.310 nan 0.000 0.492 395 Y N 0.679 120.782 120.300 -0.327 0.000 2.442 395 Y HA 0.537 5.085 4.550 -0.003 0.000 0.330 395 Y C -2.193 173.387 175.900 -0.533 0.000 1.100 395 Y CA -1.229 56.704 58.100 -0.278 0.000 1.034 395 Y CB 0.981 39.242 38.460 -0.333 0.000 1.285 395 Y HN 0.050 nan 8.280 nan 0.000 0.440 396 Y N 6.468 126.537 120.300 -0.386 0.000 2.457 396 Y HA 0.603 5.152 4.550 -0.003 0.000 0.343 396 Y C -1.428 174.364 175.900 -0.180 0.000 0.994 396 Y CA -1.208 56.826 58.100 -0.109 0.000 1.031 396 Y CB 2.211 40.779 38.460 0.179 0.000 1.246 396 Y HN 0.585 nan 8.280 nan 0.000 0.449 397 F N 2.732 122.673 119.950 -0.016 0.000 2.581 397 F HA 0.532 5.057 4.527 -0.003 0.000 0.311 397 F C -0.395 175.310 175.800 -0.159 0.000 1.113 397 F CA -1.755 56.243 58.000 -0.002 0.000 0.935 397 F CB 0.909 39.967 39.000 0.098 0.000 1.232 397 F HN 0.746 nan 8.300 nan 0.000 0.445 398 C N 4.402 123.091 119.300 -1.017 0.000 2.409 398 C HA 0.399 4.857 4.460 -0.003 0.000 0.399 398 C C 1.585 176.120 174.990 -0.759 0.000 1.505 398 C CA 0.051 58.413 59.018 -1.093 0.000 1.435 398 C CB -1.294 26.000 27.740 -0.744 0.000 2.462 398 C HN 1.038 nan 8.230 nan 0.000 0.619 399 A N 3.276 125.781 122.820 -0.525 0.000 2.067 399 A HA 0.294 4.612 4.320 -0.003 0.000 0.219 399 A C 2.200 179.708 177.584 -0.126 0.000 1.158 399 A CA 1.484 53.404 52.037 -0.195 0.000 0.661 399 A CB -0.357 18.539 19.000 -0.173 0.000 0.801 399 A HN 1.622 nan 8.150 nan 0.000 0.452 400 A N -1.971 120.739 122.820 -0.183 0.000 2.387 400 A HA 0.464 4.783 4.320 -0.003 0.000 0.234 400 A C 1.596 179.090 177.584 -0.150 0.000 1.253 400 A CA 0.941 52.910 52.037 -0.112 0.000 0.894 400 A CB -0.752 18.205 19.000 -0.072 0.000 0.963 400 A HN 1.744 nan 8.150 nan 0.000 0.508 401 G N -1.014 107.649 108.800 -0.228 0.000 2.155 401 G HA2 -0.116 3.842 3.960 -0.003 0.000 0.257 401 G HA3 -0.116 3.842 3.960 -0.003 0.000 0.257 401 G C 0.687 175.436 174.900 -0.252 0.000 0.983 401 G CA 0.264 45.222 45.100 -0.237 0.000 0.676 401 G HN 1.470 nan 8.290 nan 0.000 0.528 402 G N 0.231 108.879 108.800 -0.253 0.000 2.365 402 G HA2 0.568 4.527 3.960 -0.003 0.000 0.293 402 G HA3 0.568 4.527 3.960 -0.003 0.000 0.293 402 G C 0.556 175.302 174.900 -0.257 0.000 1.128 402 G CA -0.541 44.425 45.100 -0.223 0.000 0.971 402 G HN 0.614 nan 8.290 nan 0.000 0.422 403 L N 1.777 122.768 121.223 -0.387 0.000 2.467 403 L HA 0.398 4.737 4.340 -0.003 0.000 0.270 403 L C 1.571 178.231 176.870 -0.349 0.000 1.205 403 L CA 0.865 55.425 54.840 -0.468 0.000 0.828 403 L CB 0.745 42.278 42.059 -0.877 0.000 1.101 403 L HN 0.831 nan 8.230 nan 0.000 0.479 404 G N 1.278 110.021 108.800 -0.094 0.000 2.176 404 G HA2 -0.320 3.639 3.960 -0.003 0.000 0.232 404 G HA3 -0.320 3.639 3.960 -0.003 0.000 0.232 404 G C 0.276 175.232 174.900 0.094 0.000 0.986 404 G CA 0.347 45.497 45.100 0.084 0.000 0.643 404 G HN 0.652 nan 8.290 nan 0.000 0.522 405 F N 1.679 121.586 119.950 -0.072 0.000 2.147 405 F HA 0.479 5.004 4.527 -0.002 0.000 0.291 405 F C 2.517 178.300 175.800 -0.029 0.000 1.093 405 F CA 2.082 60.041 58.000 -0.068 0.000 1.263 405 F CB -0.447 38.478 39.000 -0.126 0.000 1.036 405 F HN 0.235 nan 8.300 nan 0.000 0.481 406 A N 0.876 123.651 122.820 -0.076 0.000 1.933 406 A HA -0.117 4.201 4.320 -0.003 0.000 0.218 406 A C 2.290 179.802 177.584 -0.120 0.000 1.175 406 A CA 1.652 53.580 52.037 -0.181 0.000 0.628 406 A CB -1.255 17.792 19.000 0.079 0.000 0.814 406 A HN 0.586 nan 8.150 nan 0.000 0.444 407 L N 0.164 121.395 121.223 0.012 0.000 1.976 407 L HA -0.083 4.255 4.340 -0.003 0.000 0.209 407 L C -0.409 176.517 176.870 0.094 0.000 1.071 407 L CA 1.925 56.847 54.840 0.137 0.000 0.746 407 L CB -0.735 41.373 42.059 0.082 0.000 0.890 407 L HN 0.257 nan 8.230 nan 0.000 0.432 408 P HA -0.146 nan 4.420 nan 0.000 0.216 408 P C 1.300 178.492 177.300 -0.179 0.000 1.153 408 P CA 1.956 65.018 63.100 -0.064 0.000 0.844 408 P CB -0.113 31.543 31.700 -0.074 0.000 0.787 409 A N 0.695 123.261 122.820 -0.422 0.000 1.978 409 A HA -0.085 4.233 4.320 -0.003 0.000 0.220 409 A C 2.474 179.832 177.584 -0.376 0.000 1.170 409 A CA 2.124 53.808 52.037 -0.588 0.000 0.636 409 A CB -1.532 16.642 19.000 -1.376 0.000 0.810 409 A HN 0.237 nan 8.150 nan 0.000 0.448 410 A N -0.177 122.491 122.820 -0.253 0.000 1.969 410 A HA -0.033 4.286 4.320 -0.003 0.000 0.218 410 A C 2.055 179.563 177.584 -0.126 0.000 1.169 410 A CA 1.410 53.342 52.037 -0.175 0.000 0.635 410 A CB -0.538 18.376 19.000 -0.144 0.000 0.810 410 A HN 0.525 nan 8.150 nan 0.000 0.445 411 I N -0.537 120.012 120.570 -0.035 0.000 2.286 411 I HA -0.141 4.027 4.170 -0.003 0.000 0.245 411 I C 2.707 178.825 176.117 0.002 0.000 1.104 411 I CA 1.071 62.385 61.300 0.023 0.000 1.397 411 I CB -0.631 37.435 38.000 0.110 0.000 1.072 411 I HN 0.368 nan 8.210 nan 0.000 0.417 412 G N 0.626 109.399 108.800 -0.045 0.000 2.418 412 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.217 412 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.217 412 G C 1.725 176.645 174.900 0.032 0.000 1.158 412 G CA 0.812 45.915 45.100 0.004 0.000 0.771 412 G HN 0.222 nan 8.290 nan 0.000 0.545 413 V N 0.581 120.424 119.914 -0.119 0.000 2.343 413 V HA -0.229 3.889 4.120 -0.003 0.000 0.247 413 V C 2.779 178.838 176.094 -0.058 0.000 1.051 413 V CA 2.285 64.495 62.300 -0.150 0.000 1.036 413 V CB -0.457 31.216 31.823 -0.251 0.000 0.654 413 V HN 0.425 nan 8.190 nan 0.000 0.451 414 Q N -0.256 119.514 119.800 -0.050 0.000 2.170 414 Q HA -0.185 4.153 4.340 -0.003 0.000 0.203 414 Q C 1.928 177.944 176.000 0.027 0.000 0.976 414 Q CA 1.696 57.480 55.803 -0.031 0.000 0.858 414 Q CB -0.501 28.201 28.738 -0.059 0.000 0.907 414 Q HN 0.549 nan 8.270 nan 0.000 0.433 415 L N -0.160 121.115 121.223 0.086 0.000 2.083 415 L HA -0.002 4.336 4.340 -0.003 0.000 0.209 415 L C 2.011 179.026 176.870 0.240 0.000 1.083 415 L CA 2.096 57.032 54.840 0.160 0.000 0.752 415 L CB -0.889 41.288 42.059 0.197 0.000 0.899 415 L HN 0.242 nan 8.230 nan 0.000 0.433 416 A N -1.569 121.378 122.820 0.212 0.000 1.968 416 A HA -0.042 4.276 4.320 -0.003 0.000 0.217 416 A C 1.132 178.703 177.584 -0.021 0.000 1.169 416 A CA 1.094 53.125 52.037 -0.009 0.000 0.638 416 A CB -0.210 18.612 19.000 -0.296 0.000 0.812 416 A HN 0.444 nan 8.150 nan 0.000 0.446 417 E N -0.528 119.669 120.200 -0.006 0.000 3.303 417 E HA 0.165 4.513 4.350 -0.003 0.000 0.215 417 E C -2.196 174.399 176.600 -0.008 0.000 1.181 417 E CA -1.598 54.793 56.400 -0.014 0.000 0.998 417 E CB 0.907 30.594 29.700 -0.022 0.000 1.312 417 E HN 0.376 nan 8.360 nan 0.000 0.412 418 P HA -0.109 nan 4.420 nan 0.000 0.225 418 P C 0.531 177.824 177.300 -0.011 0.000 1.148 418 P CA 0.992 64.094 63.100 0.002 0.000 0.779 418 P CB 0.518 32.226 31.700 0.014 0.000 0.780 419 E N -1.016 119.175 120.200 -0.015 0.000 2.481 419 E HA 0.122 4.470 4.350 -0.003 0.000 0.198 419 E C 0.438 177.019 176.600 -0.031 0.000 1.027 419 E CA -0.076 56.312 56.400 -0.020 0.000 0.900 419 E CB 0.194 29.884 29.700 -0.015 0.000 0.993 419 E HN 0.226 nan 8.360 nan 0.000 0.482 420 R N 1.337 121.814 120.500 -0.038 0.000 2.393 420 R HA 0.233 4.572 4.340 -0.003 0.000 0.315 420 R C -0.598 175.655 176.300 -0.078 0.000 0.952 420 R CA -0.827 55.239 56.100 -0.056 0.000 0.842 420 R CB 1.282 31.552 30.300 -0.049 0.000 1.163 420 R HN -0.072 nan 8.270 nan 0.000 0.450 421 Q N 2.530 122.271 119.800 -0.098 0.000 2.271 421 Q HA 0.101 4.439 4.340 -0.003 0.000 0.273 421 Q C -0.854 175.041 176.000 -0.176 0.000 1.051 421 Q CA 0.159 55.889 55.803 -0.122 0.000 0.901 421 Q CB 0.889 29.559 28.738 -0.114 0.000 1.174 421 Q HN 0.377 nan 8.270 nan 0.000 0.385 422 V N 6.811 126.623 119.914 -0.171 0.000 2.465 422 V HA 0.390 4.509 4.120 -0.003 0.000 0.279 422 V C 0.130 176.085 176.094 -0.233 0.000 1.045 422 V CA -0.386 61.794 62.300 -0.200 0.000 0.938 422 V CB 1.012 32.731 31.823 -0.174 0.000 0.986 422 V HN 0.723 nan 8.190 nan 0.000 0.467 423 I N 4.284 124.720 120.570 -0.222 0.000 2.439 423 I HA 0.585 4.754 4.170 -0.003 0.000 0.283 423 I C 0.154 176.265 176.117 -0.009 0.000 1.023 423 I CA -0.488 60.735 61.300 -0.129 0.000 1.100 423 I CB 1.701 39.665 38.000 -0.059 0.000 1.238 423 I HN 0.638 nan 8.210 nan 0.000 0.445 424 A N 6.661 129.447 122.820 -0.057 0.000 2.260 424 A HA 0.698 5.016 4.320 -0.003 0.000 0.308 424 A C -0.384 177.280 177.584 0.132 0.000 1.254 424 A CA -0.419 51.647 52.037 0.049 0.000 0.874 424 A CB 0.724 19.742 19.000 0.031 0.000 1.153 424 A HN 0.460 nan 8.150 nan 0.000 0.527 425 V N 4.944 124.970 119.914 0.187 0.000 2.328 425 V HA 0.401 4.519 4.120 -0.003 0.000 0.278 425 V C -0.259 175.945 176.094 0.184 0.000 1.021 425 V CA 0.055 62.470 62.300 0.193 0.000 0.838 425 V CB 0.326 32.325 31.823 0.294 0.000 0.999 425 V HN 0.723 nan 8.190 nan 0.000 0.447 426 I N 3.617 124.266 120.570 0.130 0.000 2.533 426 I HA 0.564 4.733 4.170 -0.003 0.000 0.290 426 I C 0.902 177.055 176.117 0.061 0.000 1.056 426 I CA -0.526 60.845 61.300 0.119 0.000 1.057 426 I CB 2.086 40.156 38.000 0.118 0.000 1.240 426 I HN 0.657 nan 8.210 nan 0.000 0.423 427 G N 2.958 111.821 108.800 0.104 0.000 2.594 427 G HA2 0.046 4.005 3.960 -0.003 0.000 0.243 427 G HA3 0.046 4.005 3.960 -0.003 0.000 0.243 427 G C 0.857 175.773 174.900 0.027 0.000 1.229 427 G CA -0.231 44.919 45.100 0.084 0.000 0.843 427 G HN 0.836 nan 8.290 nan 0.000 0.578 428 D N 0.530 120.922 120.400 -0.013 0.000 2.178 428 D HA -0.114 4.524 4.640 -0.003 0.000 0.201 428 D C 2.121 178.574 176.300 0.255 0.000 0.980 428 D CA 1.358 55.355 54.000 -0.005 0.000 0.842 428 D CB -0.764 40.113 40.800 0.128 0.000 0.948 428 D HN 0.463 nan 8.370 nan 0.000 0.472 429 G N 0.530 109.490 108.800 0.267 0.000 2.414 429 G HA2 -0.228 3.731 3.960 -0.003 0.000 0.215 429 G HA3 -0.228 3.731 3.960 -0.003 0.000 0.215 429 G C 1.872 177.096 174.900 0.540 0.000 1.188 429 G CA 1.051 46.415 45.100 0.440 0.000 0.783 429 G HN 0.347 nan 8.290 nan 0.000 0.537 430 S N 1.163 117.139 115.700 0.460 0.000 2.399 430 S HA -0.031 4.437 4.470 -0.003 0.000 0.231 430 S C 2.707 177.554 174.600 0.413 0.000 1.022 430 S CA 1.104 59.571 58.200 0.445 0.000 0.983 430 S CB -0.336 63.003 63.200 0.232 0.000 0.803 430 S HN 0.588 nan 8.310 nan 0.000 0.480 431 A N 2.556 125.545 122.820 0.281 0.000 2.024 431 A HA -0.145 4.174 4.320 -0.003 0.000 0.220 431 A C 1.862 179.610 177.584 0.272 0.000 1.164 431 A CA 1.340 53.513 52.037 0.225 0.000 0.643 431 A CB -0.475 18.597 19.000 0.120 0.000 0.806 431 A HN 0.505 nan 8.150 nan 0.000 0.451 432 N N -1.326 117.541 118.700 0.279 0.000 2.354 432 N HA -0.105 4.633 4.740 -0.003 0.000 0.179 432 N C 1.392 176.949 175.510 0.078 0.000 1.021 432 N CA 1.208 54.341 53.050 0.139 0.000 0.887 432 N CB -0.433 38.070 38.487 0.027 0.000 0.974 432 N HN 0.639 nan 8.380 nan 0.000 0.437 433 Y N 1.428 121.799 120.300 0.117 0.000 2.165 433 Y HA -0.062 4.486 4.550 -0.003 0.000 0.286 433 Y C 1.563 177.499 175.900 0.060 0.000 1.155 433 Y CA 1.016 59.166 58.100 0.083 0.000 1.164 433 Y CB -0.036 38.468 38.460 0.074 0.000 0.978 433 Y HN -0.080 nan 8.280 nan 0.000 0.513 434 S N -0.682 115.142 115.700 0.207 0.000 2.668 434 S HA 0.139 4.607 4.470 -0.003 0.000 0.244 434 S C 1.162 175.794 174.600 0.053 0.000 1.140 434 S CA -0.315 57.949 58.200 0.105 0.000 1.134 434 S CB -0.119 63.132 63.200 0.085 0.000 0.954 434 S HN 0.234 nan 8.310 nan 0.000 0.490 435 I N 2.776 123.391 120.570 0.075 0.000 2.335 435 I HA -0.190 3.978 4.170 -0.003 0.000 0.251 435 I C 2.305 178.403 176.117 -0.031 0.000 1.129 435 I CA 1.720 63.064 61.300 0.073 0.000 1.402 435 I CB -0.214 37.879 38.000 0.154 0.000 1.069 435 I HN 0.463 nan 8.210 nan 0.000 0.424 436 S N 0.493 116.123 115.700 -0.117 0.000 2.507 436 S HA -0.006 4.462 4.470 -0.003 0.000 0.235 436 S C 2.172 176.526 174.600 -0.411 0.000 0.988 436 S CA 0.567 58.459 58.200 -0.514 0.000 0.944 436 S CB -0.864 62.140 63.200 -0.326 0.000 0.762 436 S HN 0.482 nan 8.310 nan 0.000 0.526 437 A N 2.130 124.850 122.820 -0.168 0.000 2.024 437 A HA 0.089 4.407 4.320 -0.003 0.000 0.220 437 A C 2.157 179.704 177.584 -0.060 0.000 1.164 437 A CA 1.220 53.219 52.037 -0.063 0.000 0.643 437 A CB -0.858 18.131 19.000 -0.019 0.000 0.806 437 A HN 0.576 nan 8.150 nan 0.000 0.451 438 L N -2.582 118.539 121.223 -0.170 0.000 2.081 438 L HA -0.259 4.079 4.340 -0.003 0.000 0.212 438 L C 2.450 179.335 176.870 0.025 0.000 1.080 438 L CA 1.842 56.597 54.840 -0.142 0.000 0.754 438 L CB -0.488 41.509 42.059 -0.104 0.000 0.893 438 L HN 0.779 nan 8.230 nan 0.000 0.433 439 W N 0.825 121.982 121.300 -0.239 0.000 2.342 439 W HA -0.226 4.432 4.660 -0.003 0.000 0.297 439 W C 2.520 179.040 176.519 0.002 0.000 1.213 439 W CA 2.131 59.419 57.345 -0.095 0.000 1.251 439 W CB -0.287 29.041 29.460 -0.220 0.000 1.136 439 W HN -0.018 nan 8.180 nan 0.000 0.526 440 T N 0.387 115.059 114.554 0.197 0.000 2.746 440 T HA -0.188 4.160 4.350 -0.003 0.000 0.267 440 T C 1.966 176.736 174.700 0.118 0.000 1.039 440 T CA 1.886 64.094 62.100 0.180 0.000 1.142 440 T CB -0.896 68.144 68.868 0.286 0.000 0.866 440 T HN 0.247 nan 8.240 nan 0.000 0.444 441 A N 1.497 124.385 122.820 0.114 0.000 1.908 441 A HA 0.107 4.425 4.320 -0.003 0.000 0.218 441 A C 2.635 180.239 177.584 0.034 0.000 1.181 441 A CA 1.916 54.034 52.037 0.134 0.000 0.627 441 A CB -1.115 18.044 19.000 0.265 0.000 0.818 441 A HN 0.512 nan 8.150 nan 0.000 0.445 442 A N -1.298 121.487 122.820 -0.057 0.000 1.873 442 A HA -0.164 4.155 4.320 -0.003 0.000 0.215 442 A C 2.141 179.554 177.584 -0.285 0.000 1.186 442 A CA 1.621 53.577 52.037 -0.135 0.000 0.616 442 A CB -0.505 18.415 19.000 -0.134 0.000 0.823 442 A HN 0.477 nan 8.150 nan 0.000 0.442 443 Q N -1.235 118.225 119.800 -0.567 0.000 2.084 443 Q HA -0.156 4.182 4.340 -0.003 0.000 0.202 443 Q C 1.263 176.872 176.000 -0.651 0.000 0.978 443 Q CA 1.586 56.906 55.803 -0.805 0.000 0.844 443 Q CB -0.350 27.526 28.738 -1.436 0.000 0.898 443 Q HN 0.877 nan 8.270 nan 0.000 0.426 444 Y N -0.204 119.970 120.300 -0.211 0.000 2.457 444 Y HA 0.124 4.672 4.550 -0.003 0.000 0.263 444 Y C 0.425 176.280 175.900 -0.075 0.000 1.164 444 Y CA -0.340 57.690 58.100 -0.117 0.000 1.274 444 Y CB -0.021 38.388 38.460 -0.085 0.000 1.097 444 Y HN 0.135 nan 8.280 nan 0.000 0.523 445 N N 1.237 119.941 118.700 0.007 0.000 2.705 445 N HA -0.228 4.510 4.740 -0.003 0.000 0.255 445 N C -1.077 174.460 175.510 0.046 0.000 1.008 445 N CA 0.291 53.349 53.050 0.014 0.000 0.742 445 N CB -1.260 37.224 38.487 -0.006 0.000 0.906 445 N HN 0.373 nan 8.380 nan 0.000 0.541 446 I N 1.132 121.744 120.570 0.070 0.000 2.301 446 I HA 0.204 4.372 4.170 -0.003 0.000 0.292 446 I C -1.416 174.724 176.117 0.039 0.000 1.046 446 I CA -1.824 59.512 61.300 0.059 0.000 1.282 446 I CB 1.142 39.190 38.000 0.079 0.000 1.409 446 I HN 0.084 nan 8.210 nan 0.000 0.484 447 P HA 0.058 nan 4.420 nan 0.000 0.235 447 P C -0.085 177.168 177.300 -0.078 0.000 1.725 447 P CA -0.235 62.857 63.100 -0.014 0.000 0.894 447 P CB -0.520 31.171 31.700 -0.016 0.000 1.704 448 T N 1.456 115.929 114.554 -0.136 0.000 2.940 448 T HA 0.165 4.513 4.350 -0.003 0.000 0.309 448 T C 0.800 175.212 174.700 -0.480 0.000 1.056 448 T CA 0.495 62.369 62.100 -0.376 0.000 1.137 448 T CB 0.500 69.008 68.868 -0.600 0.000 0.976 448 T HN 0.094 nan 8.240 nan 0.000 0.547 449 I N 3.213 123.509 120.570 -0.457 0.000 2.336 449 I HA 0.360 4.528 4.170 -0.003 0.000 0.292 449 I C -0.668 175.191 176.117 -0.430 0.000 0.991 449 I CA -0.574 60.545 61.300 -0.302 0.000 1.227 449 I CB 0.794 38.720 38.000 -0.124 0.000 1.366 449 I HN 0.503 nan 8.210 nan 0.000 0.466 450 F N 5.743 125.707 119.950 0.024 0.000 2.426 450 F HA 0.437 4.962 4.527 -0.003 0.000 0.348 450 F C -0.056 175.751 175.800 0.013 0.000 1.124 450 F CA -0.892 57.122 58.000 0.023 0.000 1.008 450 F CB 1.428 40.445 39.000 0.028 0.000 1.139 450 F HN 0.003 nan 8.300 nan 0.000 0.452 451 V N 5.575 125.580 119.914 0.152 0.000 2.328 451 V HA 0.323 4.441 4.120 -0.003 0.000 0.278 451 V C -0.065 176.046 176.094 0.028 0.000 1.021 451 V CA -0.618 61.726 62.300 0.073 0.000 0.838 451 V CB 0.967 32.819 31.823 0.048 0.000 0.999 451 V HN 0.428 nan 8.190 nan 0.000 0.447 452 I N 5.995 126.539 120.570 -0.043 0.000 2.312 452 I HA 0.344 4.512 4.170 -0.003 0.000 0.291 452 I C 0.208 176.228 176.117 -0.162 0.000 1.031 452 I CA -0.467 60.721 61.300 -0.186 0.000 1.293 452 I CB 1.363 39.077 38.000 -0.476 0.000 1.403 452 I HN 0.450 nan 8.210 nan 0.000 0.484 453 M N 5.685 125.215 119.600 -0.117 0.000 2.319 453 M HA 0.151 4.629 4.480 -0.003 0.000 0.343 453 M C 0.106 176.366 176.300 -0.067 0.000 1.364 453 M CA -0.089 55.167 55.300 -0.073 0.000 1.292 453 M CB -0.625 31.960 32.600 -0.025 0.000 1.432 453 M HN 0.357 nan 8.290 nan 0.000 0.448 454 N N 3.771 122.438 118.700 -0.056 0.000 2.527 454 N HA 0.157 4.895 4.740 -0.003 0.000 0.236 454 N C 0.086 175.614 175.510 0.031 0.000 0.999 454 N CA -0.137 52.913 53.050 -0.000 0.000 0.935 454 N CB 0.426 38.946 38.487 0.056 0.000 1.132 454 N HN 0.467 nan 8.380 nan 0.000 0.511 455 N N 2.384 121.111 118.700 0.044 0.000 2.177 455 N HA 0.174 4.912 4.740 -0.003 0.000 0.218 455 N C 0.947 176.487 175.510 0.049 0.000 1.182 455 N CA 0.215 53.291 53.050 0.044 0.000 0.882 455 N CB 0.089 38.605 38.487 0.048 0.000 1.052 455 N HN 0.479 nan 8.380 nan 0.000 0.519 456 G N -1.231 107.603 108.800 0.056 0.000 2.162 456 G HA2 -0.251 3.708 3.960 -0.003 0.000 0.260 456 G HA3 -0.251 3.708 3.960 -0.003 0.000 0.260 456 G C -0.006 174.889 174.900 -0.009 0.000 0.976 456 G CA 0.788 45.908 45.100 0.033 0.000 0.655 456 G HN 0.783 nan 8.290 nan 0.000 0.533 457 T N -1.441 113.115 114.554 0.004 0.000 2.868 457 T HA 0.536 4.884 4.350 -0.003 0.000 0.306 457 T C -1.117 173.616 174.700 0.056 0.000 1.224 457 T CA -0.569 61.526 62.100 -0.009 0.000 1.012 457 T CB 0.882 69.787 68.868 0.062 0.000 1.221 457 T HN 0.281 nan 8.240 nan 0.000 0.499 458 Y N 2.801 123.175 120.300 0.125 0.000 2.568 458 Y HA 0.302 4.851 4.550 -0.003 0.000 0.338 458 Y C 1.666 177.654 175.900 0.148 0.000 1.245 458 Y CA -0.366 57.817 58.100 0.138 0.000 1.667 458 Y CB -0.201 38.340 38.460 0.135 0.000 1.568 458 Y HN 0.845 nan 8.280 nan 0.000 0.471 459 G N 1.512 110.486 108.800 0.289 0.000 2.440 459 G HA2 -0.304 3.654 3.960 -0.003 0.000 0.218 459 G HA3 -0.304 3.654 3.960 -0.003 0.000 0.218 459 G C 1.818 176.890 174.900 0.287 0.000 1.154 459 G CA 0.930 46.179 45.100 0.248 0.000 0.767 459 G HN 0.641 nan 8.290 nan 0.000 0.552 460 A N 0.345 123.324 122.820 0.265 0.000 1.972 460 A HA 0.126 4.444 4.320 -0.003 0.000 0.219 460 A C 2.424 180.215 177.584 0.345 0.000 1.169 460 A CA 1.186 53.393 52.037 0.283 0.000 0.635 460 A CB -0.316 18.782 19.000 0.165 0.000 0.810 460 A HN 0.372 nan 8.150 nan 0.000 0.446 461 L N -1.322 120.052 121.223 0.252 0.000 2.109 461 L HA -0.126 4.212 4.340 -0.003 0.000 0.207 461 L C 2.827 179.869 176.870 0.287 0.000 1.086 461 L CA 1.015 55.993 54.840 0.229 0.000 0.760 461 L CB -0.456 41.704 42.059 0.168 0.000 0.910 461 L HN 0.365 nan 8.230 nan 0.000 0.437 462 R N -0.973 119.700 120.500 0.288 0.000 2.096 462 R HA -0.228 4.110 4.340 -0.003 0.000 0.235 462 R C 2.088 178.551 176.300 0.272 0.000 1.127 462 R CA 1.961 58.207 56.100 0.245 0.000 0.968 462 R CB -0.408 30.025 30.300 0.221 0.000 0.861 462 R HN 0.406 nan 8.270 nan 0.000 0.440 463 W N 0.474 121.892 121.300 0.195 0.000 2.379 463 W HA -0.108 4.551 4.660 -0.001 0.000 0.307 463 W C 1.661 178.295 176.519 0.192 0.000 1.200 463 W CA 1.245 58.700 57.345 0.182 0.000 1.297 463 W CB -0.478 29.104 29.460 0.204 0.000 1.140 463 W HN -0.082 nan 8.180 nan 0.000 0.507 464 F N 0.403 120.521 119.950 0.279 0.000 2.171 464 F HA -0.210 4.315 4.527 -0.003 0.000 0.300 464 F C 2.520 178.289 175.800 -0.052 0.000 1.090 464 F CA 1.562 59.618 58.000 0.093 0.000 1.293 464 F CB -0.813 38.305 39.000 0.196 0.000 1.013 464 F HN -0.023 nan 8.300 nan 0.000 0.486 465 A N 0.073 122.996 122.820 0.172 0.000 1.930 465 A HA -0.057 4.261 4.320 -0.003 0.000 0.217 465 A C 2.475 180.033 177.584 -0.043 0.000 1.175 465 A CA 1.604 53.682 52.037 0.068 0.000 0.627 465 A CB -1.529 17.529 19.000 0.096 0.000 0.815 465 A HN 0.402 nan 8.150 nan 0.000 0.443 466 G N -0.022 108.710 108.800 -0.112 0.000 2.421 466 G HA2 -0.169 3.789 3.960 -0.003 0.000 0.216 466 G HA3 -0.169 3.789 3.960 -0.003 0.000 0.216 466 G C 1.632 176.354 174.900 -0.297 0.000 1.171 466 G CA 1.957 46.936 45.100 -0.201 0.000 0.775 466 G HN 1.049 nan 8.290 nan 0.000 0.543 467 V N -1.034 118.590 119.914 -0.483 0.000 2.667 467 V HA 0.131 4.249 4.120 -0.003 0.000 0.252 467 V C 2.541 178.480 176.094 -0.258 0.000 1.065 467 V CA 1.266 63.281 62.300 -0.475 0.000 1.083 467 V CB -0.362 31.003 31.823 -0.764 0.000 0.692 467 V HN 0.293 nan 8.190 nan 0.000 0.468 468 L N -0.176 120.939 121.223 -0.181 0.000 2.478 468 L HA 0.175 4.513 4.340 -0.003 0.000 0.223 468 L C 1.666 178.493 176.870 -0.071 0.000 1.140 468 L CA 1.277 56.063 54.840 -0.091 0.000 0.842 468 L CB -0.528 41.513 42.059 -0.031 0.000 0.953 468 L HN 0.534 nan 8.230 nan 0.000 0.452 469 E N -0.289 119.859 120.200 -0.085 0.000 2.637 469 E HA -0.218 4.130 4.350 -0.003 0.000 0.265 469 E C 0.135 176.716 176.600 -0.032 0.000 1.073 469 E CA 0.199 56.564 56.400 -0.060 0.000 0.778 469 E CB -0.624 29.043 29.700 -0.054 0.000 1.362 469 E HN 0.474 nan 8.360 nan 0.000 0.413 470 A N 1.504 124.311 122.820 -0.021 0.000 2.310 470 A HA 0.348 4.667 4.320 -0.003 0.000 0.300 470 A C 0.180 177.770 177.584 0.010 0.000 1.269 470 A CA -0.124 51.913 52.037 0.001 0.000 0.909 470 A CB 0.414 19.425 19.000 0.018 0.000 1.144 470 A HN 0.293 nan 8.150 nan 0.000 0.540 471 E N 1.852 122.057 120.200 0.009 0.000 2.283 471 E HA 0.235 4.583 4.350 -0.003 0.000 0.267 471 E C -0.271 176.342 176.600 0.021 0.000 1.045 471 E CA -0.863 55.546 56.400 0.014 0.000 0.884 471 E CB 0.528 30.233 29.700 0.008 0.000 1.106 471 E HN 0.701 nan 8.360 nan 0.000 0.408 472 N N -0.177 118.538 118.700 0.025 0.000 2.735 472 N HA -0.155 4.583 4.740 -0.003 0.000 0.248 472 N C -1.002 174.529 175.510 0.035 0.000 1.083 472 N CA 0.392 53.459 53.050 0.028 0.000 0.703 472 N CB -1.322 37.178 38.487 0.021 0.000 1.005 472 N HN 0.128 nan 8.380 nan 0.000 0.550 473 V N 1.928 121.868 119.914 0.045 0.000 2.455 473 V HA 0.268 4.386 4.120 -0.003 0.000 0.273 473 V C -0.868 175.265 176.094 0.064 0.000 1.045 473 V CA -0.850 61.483 62.300 0.056 0.000 0.976 473 V CB 1.033 32.898 31.823 0.070 0.000 0.993 473 V HN 0.137 nan 8.190 nan 0.000 0.475 474 P HA 0.400 nan 4.420 nan 0.000 0.278 474 P C 0.625 177.981 177.300 0.093 0.000 1.266 474 P CA 0.258 63.398 63.100 0.066 0.000 0.807 474 P CB 1.098 32.830 31.700 0.053 0.000 1.094 475 G N 0.038 108.896 108.800 0.097 0.000 2.160 475 G HA2 -0.227 3.732 3.960 -0.003 0.000 0.251 475 G HA3 -0.227 3.732 3.960 -0.003 0.000 0.251 475 G C 0.515 175.550 174.900 0.226 0.000 1.008 475 G CA 0.313 45.497 45.100 0.140 0.000 0.724 475 G HN 0.479 nan 8.290 nan 0.000 0.514 476 L N -0.646 120.685 121.223 0.180 0.000 2.529 476 L HA 0.271 4.609 4.340 -0.003 0.000 0.223 476 L C 0.268 177.189 176.870 0.086 0.000 1.113 476 L CA 0.159 55.145 54.840 0.244 0.000 0.861 476 L CB 0.030 42.206 42.059 0.194 0.000 1.012 476 L HN 0.096 nan 8.230 nan 0.000 0.461 477 D N 0.349 120.742 120.400 -0.011 0.000 2.248 477 D HA 0.314 4.952 4.640 -0.003 0.000 0.246 477 D C 0.076 176.266 176.300 -0.183 0.000 1.027 477 D CA -0.088 53.858 54.000 -0.089 0.000 0.853 477 D CB 2.935 43.721 40.800 -0.023 0.000 1.243 477 D HN -0.196 nan 8.370 nan 0.000 0.462 478 V N -0.686 119.094 119.914 -0.222 0.000 2.572 478 V HA 0.355 4.473 4.120 -0.003 0.000 0.274 478 V C -2.479 173.560 176.094 -0.092 0.000 1.075 478 V CA -1.390 60.786 62.300 -0.206 0.000 1.237 478 V CB 0.268 31.889 31.823 -0.337 0.000 1.517 478 V HN 0.302 nan 8.190 nan 0.000 0.616 479 P HA 0.389 nan 4.420 nan 0.000 0.272 479 P C 0.864 178.133 177.300 -0.051 0.000 1.240 479 P CA 1.225 64.303 63.100 -0.036 0.000 0.791 479 P CB 1.217 32.901 31.700 -0.027 0.000 0.978 480 G N 0.541 109.313 108.800 -0.047 0.000 2.171 480 G HA2 -0.181 3.778 3.960 -0.003 0.000 0.238 480 G HA3 -0.181 3.778 3.960 -0.003 0.000 0.238 480 G C -0.191 174.634 174.900 -0.126 0.000 1.039 480 G CA -0.247 44.811 45.100 -0.070 0.000 0.759 480 G HN 0.485 nan 8.290 nan 0.000 0.501 481 I N 0.620 121.083 120.570 -0.177 0.000 2.362 481 I HA 0.318 4.486 4.170 -0.003 0.000 0.289 481 I C -0.639 175.210 176.117 -0.446 0.000 0.994 481 I CA -0.833 60.230 61.300 -0.394 0.000 1.158 481 I CB 1.771 39.404 38.000 -0.612 0.000 1.315 481 I HN 0.040 nan 8.210 nan 0.000 0.451 482 D N 6.239 126.410 120.400 -0.381 0.000 2.443 482 D HA 0.211 4.849 4.640 -0.003 0.000 0.221 482 D C 0.463 176.609 176.300 -0.256 0.000 1.097 482 D CA -0.284 53.584 54.000 -0.219 0.000 0.865 482 D CB 0.621 41.351 40.800 -0.117 0.000 1.034 482 D HN 0.289 nan 8.370 nan 0.000 0.511 483 F N 2.080 122.034 119.950 0.006 0.000 2.325 483 F HA 0.081 4.606 4.527 -0.003 0.000 0.299 483 F C 2.392 178.200 175.800 0.014 0.000 1.090 483 F CA 0.411 58.419 58.000 0.013 0.000 1.392 483 F CB 0.031 39.046 39.000 0.025 0.000 1.053 483 F HN 0.262 nan 8.300 nan 0.000 0.521 484 R N 0.078 120.671 120.500 0.155 0.000 2.092 484 R HA -0.098 4.240 4.340 -0.003 0.000 0.231 484 R C 2.446 178.772 176.300 0.043 0.000 1.119 484 R CA 1.175 57.331 56.100 0.094 0.000 0.970 484 R CB -0.703 29.640 30.300 0.071 0.000 0.864 484 R HN 0.279 nan 8.270 nan 0.000 0.440 485 A N 1.238 124.059 122.820 0.001 0.000 1.898 485 A HA -0.100 4.218 4.320 -0.003 0.000 0.216 485 A C 2.175 179.727 177.584 -0.052 0.000 1.181 485 A CA 1.006 53.022 52.037 -0.035 0.000 0.620 485 A CB -0.463 18.499 19.000 -0.064 0.000 0.819 485 A HN 0.155 nan 8.150 nan 0.000 0.442 486 L N -0.719 120.476 121.223 -0.048 0.000 2.017 486 L HA -0.223 4.115 4.340 -0.003 0.000 0.208 486 L C 3.129 180.016 176.870 0.029 0.000 1.073 486 L CA 1.154 55.973 54.840 -0.034 0.000 0.745 486 L CB -0.664 41.404 42.059 0.014 0.000 0.894 486 L HN 0.442 nan 8.230 nan 0.000 0.432 487 A N 0.261 123.128 122.820 0.078 0.000 1.883 487 A HA -0.282 4.036 4.320 -0.003 0.000 0.217 487 A C 2.409 180.036 177.584 0.072 0.000 1.186 487 A CA 2.167 54.261 52.037 0.095 0.000 0.624 487 A CB -0.537 18.521 19.000 0.095 0.000 0.822 487 A HN 0.361 nan 8.150 nan 0.000 0.444 488 K N -0.622 119.797 120.400 0.032 0.000 2.063 488 K HA -0.135 4.184 4.320 -0.003 0.000 0.208 488 K C 2.032 178.621 176.600 -0.019 0.000 1.048 488 K CA 1.551 57.846 56.287 0.013 0.000 0.928 488 K CB -0.642 31.856 32.500 -0.003 0.000 0.713 488 K HN 0.380 nan 8.250 nan 0.000 0.442 489 G N -0.173 108.568 108.800 -0.099 0.000 2.469 489 G HA2 -0.248 3.711 3.960 -0.003 0.000 0.220 489 G HA3 -0.248 3.711 3.960 -0.003 0.000 0.220 489 G C 0.790 175.536 174.900 -0.256 0.000 1.136 489 G CA 1.004 45.954 45.100 -0.250 0.000 0.759 489 G HN 0.375 nan 8.290 nan 0.000 0.562 490 Y N 0.085 120.444 120.300 0.099 0.000 2.485 490 Y HA 0.402 4.950 4.550 -0.003 0.000 0.260 490 Y C 1.894 177.880 175.900 0.143 0.000 1.173 490 Y CA -0.661 57.553 58.100 0.191 0.000 1.252 490 Y CB 0.317 38.889 38.460 0.188 0.000 1.123 490 Y HN 0.304 nan 8.280 nan 0.000 0.524 491 G N 0.178 109.087 108.800 0.182 0.000 2.132 491 G HA2 -0.223 3.735 3.960 -0.003 0.000 0.228 491 G HA3 -0.223 3.735 3.960 -0.003 0.000 0.228 491 G C -0.402 174.541 174.900 0.072 0.000 1.000 491 G CA 0.146 45.305 45.100 0.098 0.000 0.693 491 G HN 0.102 nan 8.290 nan 0.000 0.515 492 V N 1.079 121.051 119.914 0.096 0.000 2.427 492 V HA 0.448 4.566 4.120 -0.003 0.000 0.286 492 V C 0.920 177.065 176.094 0.085 0.000 1.034 492 V CA -0.513 61.843 62.300 0.094 0.000 0.893 492 V CB 1.800 33.690 31.823 0.111 0.000 0.982 492 V HN 0.541 nan 8.190 nan 0.000 0.452 493 Q N 2.912 122.758 119.800 0.078 0.000 2.304 493 Q HA 0.362 4.700 4.340 -0.003 0.000 0.301 493 Q C -0.234 175.816 176.000 0.083 0.000 1.063 493 Q CA 0.183 56.027 55.803 0.068 0.000 0.947 493 Q CB 0.685 29.459 28.738 0.058 0.000 1.201 493 Q HN 0.937 nan 8.270 nan 0.000 0.389 494 A N 5.187 128.049 122.820 0.070 0.000 2.371 494 A HA 0.736 5.054 4.320 -0.003 0.000 0.311 494 A C -1.372 176.250 177.584 0.065 0.000 1.068 494 A CA -0.723 51.360 52.037 0.078 0.000 0.744 494 A CB 1.075 20.121 19.000 0.076 0.000 1.239 494 A HN 0.742 nan 8.150 nan 0.000 0.435 495 L N 0.876 122.140 121.223 0.069 0.000 2.350 495 L HA 0.677 5.015 4.340 -0.003 0.000 0.260 495 L C -0.207 176.698 176.870 0.057 0.000 1.015 495 L CA -0.767 54.106 54.840 0.055 0.000 0.821 495 L CB 2.518 44.606 42.059 0.048 0.000 1.370 495 L HN 0.763 nan 8.230 nan 0.000 0.416 496 K N 0.938 121.366 120.400 0.046 0.000 2.378 496 K HA 0.821 5.140 4.320 -0.003 0.000 0.252 496 K C -1.468 175.151 176.600 0.031 0.000 0.931 496 K CA -0.531 55.783 56.287 0.045 0.000 0.794 496 K CB 2.190 34.719 32.500 0.047 0.000 1.181 496 K HN 0.694 nan 8.250 nan 0.000 0.425 497 A N 3.537 126.373 122.820 0.025 0.000 2.363 497 A HA 0.296 4.615 4.320 -0.003 0.000 0.296 497 A C -0.635 176.955 177.584 0.010 0.000 1.237 497 A CA -0.595 51.451 52.037 0.015 0.000 0.773 497 A CB 0.631 19.636 19.000 0.008 0.000 1.153 497 A HN 0.843 nan 8.150 nan 0.000 0.473 498 D N 1.036 121.442 120.400 0.010 0.000 2.354 498 D HA 0.059 4.698 4.640 -0.003 0.000 0.209 498 D C 0.194 176.494 176.300 0.000 0.000 1.015 498 D CA 1.034 55.038 54.000 0.007 0.000 0.867 498 D CB 0.394 41.200 40.800 0.010 0.000 0.933 498 D HN 0.796 nan 8.370 nan 0.000 0.520 499 N N -1.325 117.377 118.700 0.002 0.000 3.039 499 N HA 0.068 4.806 4.740 -0.003 0.000 0.257 499 N C 0.202 175.715 175.510 0.006 0.000 1.497 499 N CA -0.723 52.329 53.050 0.003 0.000 0.861 499 N CB 0.936 39.427 38.487 0.008 0.000 1.479 499 N HN -0.226 nan 8.380 nan 0.000 0.547 500 L N 0.118 121.348 121.223 0.011 0.000 2.046 500 L HA 0.067 4.405 4.340 -0.003 0.000 0.208 500 L C 2.083 178.961 176.870 0.013 0.000 1.077 500 L CA 1.972 56.820 54.840 0.013 0.000 0.747 500 L CB -0.888 41.184 42.059 0.021 0.000 0.896 500 L HN 0.901 nan 8.230 nan 0.000 0.432 501 E N -0.928 119.280 120.200 0.014 0.000 2.070 501 E HA -0.306 4.042 4.350 -0.003 0.000 0.197 501 E C 2.084 178.692 176.600 0.013 0.000 1.004 501 E CA 1.794 58.202 56.400 0.014 0.000 0.805 501 E CB -0.163 29.545 29.700 0.013 0.000 0.744 501 E HN 0.699 nan 8.360 nan 0.000 0.451 502 Q N -0.049 119.758 119.800 0.012 0.000 2.167 502 Q HA -0.134 4.204 4.340 -0.003 0.000 0.202 502 Q C 2.328 178.335 176.000 0.013 0.000 0.970 502 Q CA 0.928 56.739 55.803 0.013 0.000 0.855 502 Q CB -0.068 28.678 28.738 0.013 0.000 0.911 502 Q HN 0.284 nan 8.270 nan 0.000 0.438 503 L N 1.313 122.542 121.223 0.009 0.000 2.017 503 L HA -0.202 4.136 4.340 -0.003 0.000 0.208 503 L C 1.838 178.714 176.870 0.012 0.000 1.073 503 L CA 1.895 56.739 54.840 0.007 0.000 0.745 503 L CB -0.197 41.860 42.059 -0.002 0.000 0.894 503 L HN -0.032 nan 8.230 nan 0.000 0.432 504 K N -0.655 119.753 120.400 0.013 0.000 2.026 504 K HA -0.087 4.232 4.320 -0.003 0.000 0.208 504 K C 2.025 178.635 176.600 0.016 0.000 1.048 504 K CA 1.253 57.549 56.287 0.016 0.000 0.929 504 K CB -0.790 31.720 32.500 0.016 0.000 0.713 504 K HN 0.549 nan 8.250 nan 0.000 0.439 505 G N 0.615 109.424 108.800 0.015 0.000 2.440 505 G HA2 -0.251 3.707 3.960 -0.003 0.000 0.218 505 G HA3 -0.251 3.707 3.960 -0.003 0.000 0.218 505 G C 1.542 176.453 174.900 0.017 0.000 1.154 505 G CA 1.003 46.112 45.100 0.015 0.000 0.767 505 G HN 0.191 nan 8.290 nan 0.000 0.552 506 S N 0.373 116.084 115.700 0.019 0.000 2.368 506 S HA 0.012 4.481 4.470 -0.003 0.000 0.224 506 S C 2.305 176.918 174.600 0.023 0.000 1.029 506 S CA 0.759 58.973 58.200 0.023 0.000 0.988 506 S CB -0.229 62.986 63.200 0.025 0.000 0.838 506 S HN 0.299 nan 8.310 nan 0.000 0.462 507 L N 1.310 122.545 121.223 0.021 0.000 2.093 507 L HA -0.147 4.191 4.340 -0.003 0.000 0.208 507 L C 2.820 179.701 176.870 0.018 0.000 1.085 507 L CA 1.243 56.096 54.840 0.021 0.000 0.755 507 L CB -0.469 41.605 42.059 0.025 0.000 0.904 507 L HN 0.386 nan 8.230 nan 0.000 0.435 508 Q N 0.287 120.097 119.800 0.017 0.000 2.084 508 Q HA -0.295 4.043 4.340 -0.003 0.000 0.202 508 Q C 2.115 178.123 176.000 0.012 0.000 0.978 508 Q CA 2.102 57.913 55.803 0.014 0.000 0.844 508 Q CB 0.024 28.770 28.738 0.013 0.000 0.898 508 Q HN 0.505 nan 8.270 nan 0.000 0.426 509 E N -0.468 119.741 120.200 0.015 0.000 2.047 509 E HA -0.187 4.161 4.350 -0.003 0.000 0.191 509 E C 1.823 178.433 176.600 0.016 0.000 0.987 509 E CA 1.080 57.489 56.400 0.016 0.000 0.799 509 E CB -0.186 29.525 29.700 0.019 0.000 0.752 509 E HN 0.450 nan 8.360 nan 0.000 0.449 510 A N 0.890 123.721 122.820 0.018 0.000 1.902 510 A HA -0.147 4.171 4.320 -0.003 0.000 0.217 510 A C 2.188 179.775 177.584 0.004 0.000 1.181 510 A CA 1.248 53.295 52.037 0.017 0.000 0.623 510 A CB -0.700 18.312 19.000 0.021 0.000 0.818 510 A HN 0.337 nan 8.150 nan 0.000 0.443 511 L N -0.376 120.848 121.223 0.001 0.000 2.275 511 L HA -0.091 4.247 4.340 -0.003 0.000 0.215 511 L C 2.272 179.138 176.870 -0.006 0.000 1.119 511 L CA 1.167 56.002 54.840 -0.007 0.000 0.790 511 L CB -0.126 41.931 42.059 -0.004 0.000 0.919 511 L HN 0.281 nan 8.230 nan 0.000 0.443 512 S N -0.629 115.071 115.700 0.000 0.000 2.524 512 S HA 0.244 4.712 4.470 -0.003 0.000 0.216 512 S C 0.978 175.579 174.600 0.002 0.000 0.987 512 S CA 0.075 58.276 58.200 0.001 0.000 0.909 512 S CB 0.057 63.259 63.200 0.004 0.000 0.781 512 S HN 0.354 nan 8.310 nan 0.000 0.521 513 A N 1.596 124.419 122.820 0.004 0.000 2.366 513 A HA 0.395 4.713 4.320 -0.003 0.000 0.249 513 A C 0.977 178.563 177.584 0.004 0.000 1.084 513 A CA -0.157 51.885 52.037 0.007 0.000 0.794 513 A CB 0.359 19.369 19.000 0.015 0.000 1.034 513 A HN 0.040 nan 8.150 nan 0.000 0.491 514 K N 0.325 120.728 120.400 0.006 0.000 2.358 514 K HA 0.201 4.519 4.320 -0.003 0.000 0.197 514 K C 0.694 177.297 176.600 0.006 0.000 1.025 514 K CA 0.838 57.127 56.287 0.003 0.000 1.104 514 K CB 0.518 33.019 32.500 0.002 0.000 0.855 514 K HN 0.797 nan 8.250 nan 0.000 0.531 515 G N 1.562 110.369 108.800 0.013 0.000 2.921 515 G HA2 0.422 4.380 3.960 -0.003 0.000 0.291 515 G HA3 0.422 4.380 3.960 -0.003 0.000 0.291 515 G C -3.013 171.910 174.900 0.038 0.000 1.370 515 G CA -1.128 43.985 45.100 0.022 0.000 0.847 515 G HN -0.239 nan 8.290 nan 0.000 0.532 516 P HA 0.392 nan 4.420 nan 0.000 0.271 516 P C -0.775 176.614 177.300 0.148 0.000 1.218 516 P CA -0.124 63.052 63.100 0.126 0.000 0.780 516 P CB 1.629 33.472 31.700 0.239 0.000 0.901 517 V N 3.296 123.316 119.914 0.177 0.000 2.808 517 V HA 0.368 4.486 4.120 -0.003 0.000 0.308 517 V C -0.069 176.187 176.094 0.270 0.000 1.099 517 V CA -0.781 61.620 62.300 0.168 0.000 0.920 517 V CB 2.151 34.027 31.823 0.089 0.000 1.014 517 V HN 0.458 nan 8.190 nan 0.000 0.425 518 L N 5.424 126.788 121.223 0.235 0.000 2.322 518 L HA 0.708 5.046 4.340 -0.003 0.000 0.281 518 L C -1.032 175.924 176.870 0.143 0.000 1.014 518 L CA -0.296 54.685 54.840 0.234 0.000 0.815 518 L CB 1.218 43.382 42.059 0.175 0.000 1.247 518 L HN 0.607 nan 8.230 nan 0.000 0.421 519 I N 4.645 125.287 120.570 0.121 0.000 2.355 519 I HA 0.315 4.483 4.170 -0.003 0.000 0.288 519 I C -0.270 175.877 176.117 0.050 0.000 0.999 519 I CA -0.435 60.910 61.300 0.075 0.000 1.163 519 I CB 1.737 39.769 38.000 0.053 0.000 1.316 519 I HN 0.614 nan 8.210 nan 0.000 0.454 520 E N 6.544 126.778 120.200 0.057 0.000 2.130 520 E HA 0.363 4.712 4.350 -0.003 0.000 0.284 520 E C -1.315 175.298 176.600 0.021 0.000 1.018 520 E CA -0.506 55.917 56.400 0.039 0.000 0.817 520 E CB 1.192 30.969 29.700 0.128 0.000 1.078 520 E HN 0.371 nan 8.360 nan 0.000 0.396 521 V N 3.964 123.869 119.914 -0.015 0.000 2.398 521 V HA 0.158 4.276 4.120 -0.003 0.000 0.286 521 V C -0.028 176.057 176.094 -0.016 0.000 1.026 521 V CA -0.759 61.529 62.300 -0.019 0.000 0.868 521 V CB 1.657 33.452 31.823 -0.046 0.000 0.982 521 V HN 0.632 nan 8.190 nan 0.000 0.443 522 S N 3.925 119.621 115.700 -0.005 0.000 2.405 522 S HA 0.350 4.818 4.470 -0.003 0.000 0.291 522 S C 0.532 175.115 174.600 -0.028 0.000 1.137 522 S CA -0.461 57.737 58.200 -0.003 0.000 1.061 522 S CB 0.230 63.432 63.200 0.004 0.000 1.001 522 S HN 0.972 nan 8.310 nan 0.000 0.507 523 T N -0.614 113.922 114.554 -0.030 0.000 2.945 523 T HA 0.627 4.975 4.350 -0.003 0.000 0.286 523 T C 0.391 175.057 174.700 -0.057 0.000 1.025 523 T CA -1.054 61.015 62.100 -0.052 0.000 1.039 523 T CB 0.908 69.751 68.868 -0.042 0.000 1.068 523 T HN 0.403 nan 8.240 nan 0.000 0.497 524 V N 0.102 119.951 119.914 -0.109 0.000 2.740 524 V HA 0.366 4.484 4.120 -0.003 0.000 0.303 524 V C 0.676 176.757 176.094 -0.022 0.000 1.054 524 V CA -0.613 61.619 62.300 -0.114 0.000 1.106 524 V CB 0.672 32.337 31.823 -0.263 0.000 0.957 524 V HN 1.021 nan 8.190 nan 0.000 0.486 525 S N 5.813 121.513 115.700 0.001 0.000 2.423 525 S HA 0.688 5.156 4.470 -0.003 0.000 0.302 525 S C -0.587 174.051 174.600 0.063 0.000 1.143 525 S CA 0.531 58.755 58.200 0.039 0.000 1.080 525 S CB -1.223 62.000 63.200 0.038 0.000 1.081 525 S HN 1.575 nan 8.310 nan 0.000 0.522 526 P HA 0.000 nan 4.420 nan 0.000 0.216 526 P CA 0.000 nan 63.100 nan 0.000 0.800 526 P CB 0.000 nan 31.700 nan 0.000 0.726