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 2fn3_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGANELPF 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 STVS 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 0.138 0.000 1.274 2 A CA 0.000 52.111 52.037 0.123 0.000 0.836 2 A CB 0.000 19.094 19.000 0.157 0.000 0.831 3 S N 0.339 116.135 115.700 0.161 0.000 2.632 3 S HA 0.474 4.944 4.470 0.000 0.000 0.267 3 S C 1.195 175.946 174.600 0.251 0.000 1.276 3 S CA 0.051 58.367 58.200 0.193 0.000 0.998 3 S CB 1.069 64.393 63.200 0.207 0.000 0.953 3 S HN 1.467 nan 8.310 nan 0.000 0.547 4 V N 1.735 121.805 119.914 0.260 0.000 2.332 4 V HA -0.208 3.912 4.120 0.000 0.000 0.248 4 V C 2.584 178.975 176.094 0.494 0.000 1.055 4 V CA 2.324 64.799 62.300 0.292 0.000 1.038 4 V CB -1.442 30.479 31.823 0.163 0.000 0.651 4 V HN 1.042 nan 8.190 nan 0.000 0.450 5 H N 0.838 120.212 119.070 0.507 0.000 2.265 5 H HA -0.178 4.378 4.556 0.000 0.000 0.295 5 H C 2.328 177.878 175.328 0.370 0.000 1.084 5 H CA 2.348 58.709 56.048 0.522 0.000 1.261 5 H CB -0.547 29.445 29.762 0.382 0.000 1.360 5 H HN 0.421 nan 8.280 nan 0.000 0.487 6 G N -0.769 108.310 108.800 0.466 0.000 2.418 6 G HA2 -0.233 3.727 3.960 0.000 0.000 0.217 6 G HA3 -0.233 3.727 3.960 0.000 0.000 0.217 6 G C 1.817 176.865 174.900 0.248 0.000 1.158 6 G CA 1.275 46.560 45.100 0.308 0.000 0.771 6 G HN 0.454 nan 8.290 nan 0.000 0.545 7 T N 0.837 115.566 114.554 0.291 0.000 2.821 7 T HA -0.088 4.262 4.350 0.000 0.000 0.267 7 T C 2.644 177.538 174.700 0.323 0.000 1.046 7 T CA 1.716 64.025 62.100 0.348 0.000 1.139 7 T CB -0.389 68.679 68.868 0.334 0.000 0.871 7 T HN 0.283 nan 8.240 nan 0.000 0.454 8 T N 0.918 115.634 114.554 0.269 0.000 2.737 8 T HA -0.051 4.299 4.350 0.000 0.000 0.265 8 T C 1.642 176.344 174.700 0.004 0.000 1.038 8 T CA 1.058 63.271 62.100 0.189 0.000 1.144 8 T CB -0.480 68.574 68.868 0.309 0.000 0.866 8 T HN 0.393 nan 8.240 nan 0.000 0.434 9 Y N 1.351 121.602 120.300 -0.082 0.000 2.224 9 Y HA -0.073 4.477 4.550 0.000 0.000 0.289 9 Y C 2.612 178.435 175.900 -0.129 0.000 1.146 9 Y CA 1.113 59.043 58.100 -0.284 0.000 1.182 9 Y CB -0.299 37.814 38.460 -0.580 0.000 0.983 9 Y HN 0.181 nan 8.280 nan 0.000 0.524 10 E N 0.456 120.660 120.200 0.007 0.000 2.051 10 E HA -0.206 4.144 4.350 0.000 0.000 0.192 10 E C 2.072 178.500 176.600 -0.286 0.000 0.991 10 E CA 1.092 57.356 56.400 -0.226 0.000 0.799 10 E CB -0.577 28.845 29.700 -0.463 0.000 0.748 10 E HN 0.345 nan 8.360 nan 0.000 0.449 11 L N 0.225 121.416 121.223 -0.052 0.000 2.012 11 L HA -0.155 4.185 4.340 0.000 0.000 0.210 11 L C 2.175 179.102 176.870 0.095 0.000 1.073 11 L CA 1.762 56.705 54.840 0.171 0.000 0.748 11 L CB -0.631 41.632 42.059 0.340 0.000 0.891 11 L HN 0.283 nan 8.230 nan 0.000 0.431 12 L N -0.370 120.901 121.223 0.079 0.000 1.989 12 L HA -0.253 4.087 4.340 0.000 0.000 0.211 12 L C 2.895 179.830 176.870 0.108 0.000 1.071 12 L CA 2.123 57.018 54.840 0.091 0.000 0.749 12 L CB -0.715 41.384 42.059 0.066 0.000 0.890 12 L HN 0.425 nan 8.230 nan 0.000 0.431 13 R N -0.324 120.274 120.500 0.163 0.000 2.092 13 R HA -0.115 4.225 4.340 0.000 0.000 0.231 13 R C 2.218 178.511 176.300 -0.011 0.000 1.119 13 R CA 0.908 57.031 56.100 0.037 0.000 0.970 13 R CB -0.462 29.887 30.300 0.082 0.000 0.864 13 R HN 0.201 nan 8.270 nan 0.000 0.440 14 R N 0.597 121.086 120.500 -0.018 0.000 2.189 14 R HA 0.010 4.350 4.340 0.000 0.000 0.223 14 R C 1.377 177.713 176.300 0.060 0.000 1.092 14 R CA 0.825 56.928 56.100 0.006 0.000 0.989 14 R CB -0.018 30.273 30.300 -0.015 0.000 0.876 14 R HN 0.439 nan 8.270 nan 0.000 0.457 15 Q N -0.527 119.311 119.800 0.063 0.000 2.246 15 Q HA 0.149 4.489 4.340 0.000 0.000 0.202 15 Q C 0.653 176.679 176.000 0.044 0.000 0.883 15 Q CA 0.410 56.253 55.803 0.067 0.000 0.952 15 Q CB 1.069 29.836 28.738 0.048 0.000 1.078 15 Q HN 0.519 nan 8.270 nan 0.000 0.493 16 G N 1.232 110.043 108.800 0.019 0.000 2.157 16 G HA2 -0.253 3.707 3.960 0.000 0.000 0.248 16 G HA3 -0.253 3.707 3.960 0.000 0.000 0.248 16 G C 0.170 175.058 174.900 -0.020 0.000 0.979 16 G CA -0.190 44.911 45.100 0.001 0.000 0.650 16 G HN 0.342 nan 8.290 nan 0.000 0.529 17 I N 1.434 121.983 120.570 -0.035 0.000 2.365 17 I HA 0.461 4.631 4.170 0.000 0.000 0.291 17 I C 0.656 176.566 176.117 -0.344 0.000 1.004 17 I CA 0.056 61.324 61.300 -0.053 0.000 1.311 17 I CB 1.423 39.450 38.000 0.045 0.000 1.401 17 I HN 0.261 nan 8.210 nan 0.000 0.491 18 D N 1.334 121.490 120.400 -0.406 0.000 2.516 18 D HA 0.092 4.732 4.640 0.000 0.000 0.241 18 D C -0.128 175.867 176.300 -0.508 0.000 1.246 18 D CA -0.052 53.450 54.000 -0.830 0.000 0.808 18 D CB 0.568 41.061 40.800 -0.511 0.000 1.147 18 D HN 0.274 nan 8.370 nan 0.000 0.527 19 T N 0.202 114.636 114.554 -0.200 0.000 2.886 19 T HA 0.562 4.912 4.350 0.000 0.000 0.292 19 T C -0.924 173.766 174.700 -0.017 0.000 1.012 19 T CA -0.622 61.361 62.100 -0.194 0.000 0.982 19 T CB 2.499 71.076 68.868 -0.485 0.000 1.018 19 T HN -0.123 nan 8.240 nan 0.000 0.451 20 V N 3.897 123.828 119.914 0.028 0.000 2.357 20 V HA 0.475 4.595 4.120 0.000 0.000 0.284 20 V C -0.848 175.027 176.094 -0.364 0.000 1.018 20 V CA -0.842 61.575 62.300 0.195 0.000 0.841 20 V CB 0.525 32.696 31.823 0.581 0.000 0.991 20 V HN 0.793 nan 8.190 nan 0.000 0.437 21 F N 3.315 123.230 119.950 -0.059 0.000 2.411 21 F HA 0.749 5.276 4.527 0.000 0.000 0.355 21 F C 0.959 176.627 175.800 -0.220 0.000 1.117 21 F CA 0.023 57.889 58.000 -0.223 0.000 1.139 21 F CB 1.562 40.484 39.000 -0.130 0.000 1.120 21 F HN 0.602 nan 8.300 nan 0.000 0.493 22 G N 2.465 111.112 108.800 -0.255 0.000 2.660 22 G HA2 0.332 4.292 3.960 0.000 0.000 0.290 22 G HA3 0.332 4.292 3.960 0.000 0.000 0.290 22 G C -2.174 172.787 174.900 0.101 0.000 1.432 22 G CA -0.887 44.185 45.100 -0.048 0.000 0.807 22 G HN 0.520 nan 8.290 nan 0.000 0.485 23 N N 1.017 119.838 118.700 0.202 0.000 2.480 23 N HA 0.444 5.184 4.740 0.000 0.000 0.289 23 N C -2.900 172.737 175.510 0.212 0.000 1.073 23 N CA -1.239 51.932 53.050 0.202 0.000 0.885 23 N CB 3.432 41.994 38.487 0.125 0.000 1.421 23 N HN 0.299 nan 8.380 nan 0.000 0.503 24 P HA 0.426 nan 4.420 nan 0.000 0.279 24 P C -0.338 176.980 177.300 0.031 0.000 1.252 24 P CA -0.065 63.111 63.100 0.127 0.000 0.811 24 P CB 1.939 33.656 31.700 0.028 0.000 1.035 25 G N -1.120 107.685 108.800 0.008 0.000 2.788 25 G HA2 0.471 4.431 3.960 0.000 0.000 0.293 25 G HA3 0.471 4.431 3.960 0.000 0.000 0.293 25 G C 0.467 175.307 174.900 -0.100 0.000 1.392 25 G CA -0.069 44.887 45.100 -0.240 0.000 0.810 25 G HN 0.369 nan 8.290 nan 0.000 0.508 26 A N -0.211 122.505 122.820 -0.173 0.000 1.930 26 A HA -0.009 4.311 4.320 0.000 0.000 0.217 26 A C 1.942 179.504 177.584 -0.036 0.000 1.175 26 A CA 1.886 53.871 52.037 -0.086 0.000 0.627 26 A CB -0.444 18.509 19.000 -0.078 0.000 0.815 26 A HN 0.466 nan 8.150 nan 0.000 0.443 27 N N -0.011 118.794 118.700 0.174 0.000 2.520 27 N HA -0.057 4.683 4.740 0.000 0.000 0.185 27 N C 0.953 176.628 175.510 0.275 0.000 1.068 27 N CA 1.209 54.407 53.050 0.246 0.000 0.911 27 N CB -0.100 38.601 38.487 0.355 0.000 0.961 27 N HN 0.591 nan 8.380 nan 0.000 0.446 28 E N -0.282 120.055 120.200 0.230 0.000 2.431 28 E HA 0.207 4.557 4.350 0.000 0.000 0.200 28 E C 1.796 178.501 176.600 0.175 0.000 0.995 28 E CA -0.104 56.449 56.400 0.255 0.000 0.915 28 E CB 0.052 29.911 29.700 0.264 0.000 0.930 28 E HN 0.212 nan 8.360 nan 0.000 0.496 29 L N 0.956 122.217 121.223 0.064 0.000 2.079 29 L HA -0.112 4.228 4.340 0.000 0.000 0.210 29 L C -0.684 176.207 176.870 0.034 0.000 1.081 29 L CA 1.300 56.141 54.840 0.002 0.000 0.752 29 L CB -1.397 40.627 42.059 -0.059 0.000 0.896 29 L HN 0.134 nan 8.230 nan 0.000 0.433 30 P HA -0.164 nan 4.420 nan 0.000 0.223 30 P C 1.363 178.732 177.300 0.116 0.000 1.151 30 P CA 1.027 64.238 63.100 0.185 0.000 0.787 30 P CB 0.026 31.967 31.700 0.401 0.000 0.788 31 F N 0.114 119.881 119.950 -0.305 0.000 2.219 31 F HA 0.024 4.551 4.527 0.000 0.000 0.294 31 F C 1.674 177.413 175.800 -0.101 0.000 1.086 31 F CA 1.251 58.813 58.000 -0.729 0.000 1.330 31 F CB -0.716 37.709 39.000 -0.958 0.000 1.047 31 F HN -0.283 nan 8.300 nan 0.000 0.495 32 L N 0.895 122.027 121.223 -0.152 0.000 2.418 32 L HA -0.023 4.317 4.340 0.000 0.000 0.218 32 L C 1.112 177.949 176.870 -0.055 0.000 1.125 32 L CA 0.136 54.887 54.840 -0.149 0.000 0.835 32 L CB -0.816 41.154 42.059 -0.149 0.000 0.953 32 L HN 0.065 nan 8.230 nan 0.000 0.454 33 K N -0.223 120.166 120.400 -0.018 0.000 2.336 33 K HA -0.048 4.272 4.320 0.000 0.000 0.262 33 K C -0.195 176.389 176.600 -0.027 0.000 0.992 33 K CA -0.225 56.038 56.287 -0.040 0.000 0.927 33 K CB 0.303 32.766 32.500 -0.062 0.000 0.956 33 K HN -0.045 nan 8.250 nan 0.000 0.495 34 D N -0.096 120.257 120.400 -0.079 0.000 2.751 34 D HA -0.226 4.414 4.640 0.000 0.000 0.233 34 D C -0.672 175.554 176.300 -0.123 0.000 1.149 34 D CA 0.853 54.786 54.000 -0.111 0.000 0.682 34 D CB -1.433 39.242 40.800 -0.208 0.000 1.068 34 D HN 0.491 nan 8.370 nan 0.000 0.429 35 F N 1.051 120.835 119.950 -0.278 0.000 2.578 35 F HA 0.215 4.742 4.527 0.000 0.000 0.381 35 F C -1.501 174.056 175.800 -0.405 0.000 1.069 35 F CA -1.416 56.330 58.000 -0.424 0.000 1.231 35 F CB 0.456 39.281 39.000 -0.292 0.000 1.086 35 F HN -0.174 nan 8.300 nan 0.000 0.564 36 P HA 0.051 nan 4.420 nan 0.000 0.269 36 P C 0.100 177.205 177.300 -0.324 0.000 1.209 36 P CA 0.072 62.796 63.100 -0.626 0.000 0.776 36 P CB 0.582 31.825 31.700 -0.762 0.000 0.876 37 E N 1.153 121.267 120.200 -0.144 0.000 2.268 37 E HA -0.161 4.189 4.350 0.000 0.000 0.195 37 E C 1.014 177.605 176.600 -0.014 0.000 0.995 37 E CA 0.940 57.313 56.400 -0.044 0.000 0.836 37 E CB -0.068 29.611 29.700 -0.035 0.000 0.763 37 E HN 0.606 nan 8.360 nan 0.000 0.491 38 D N -0.099 120.296 120.400 -0.009 0.000 2.349 38 D HA -0.079 4.561 4.640 0.000 0.000 0.224 38 D C 0.206 176.476 176.300 -0.050 0.000 1.029 38 D CA 0.174 54.164 54.000 -0.016 0.000 0.879 38 D CB -0.064 40.718 40.800 -0.029 0.000 0.906 38 D HN -0.025 nan 8.370 nan 0.000 0.528 39 F N 0.984 120.787 119.950 -0.245 0.000 2.450 39 F HA 0.442 4.969 4.527 0.000 0.000 0.328 39 F C 0.937 176.754 175.800 0.030 0.000 1.068 39 F CA -1.142 56.723 58.000 -0.224 0.000 1.007 39 F CB 1.335 39.967 39.000 -0.613 0.000 1.251 39 F HN -0.298 nan 8.300 nan 0.000 0.492 40 R N 1.529 122.189 120.500 0.267 0.000 2.599 40 R HA 0.380 4.720 4.340 0.000 0.000 0.295 40 R C -2.105 174.391 176.300 0.326 0.000 0.963 40 R CA -0.641 55.614 56.100 0.258 0.000 0.883 40 R CB 1.229 31.536 30.300 0.012 0.000 1.171 40 R HN 0.722 nan 8.270 nan 0.000 0.450 41 Y N 5.424 125.788 120.300 0.106 0.000 2.331 41 Y HA 0.412 4.962 4.550 0.000 0.000 0.338 41 Y C -0.721 175.090 175.900 -0.149 0.000 0.992 41 Y CA -0.867 57.173 58.100 -0.100 0.000 1.121 41 Y CB 1.129 39.357 38.460 -0.387 0.000 1.184 41 Y HN 0.434 nan 8.280 nan 0.000 0.469 42 I N 8.417 128.611 120.570 -0.625 0.000 2.359 42 I HA 0.156 4.326 4.170 0.000 0.000 0.284 42 I C -0.725 175.164 176.117 -0.380 0.000 1.018 42 I CA -0.779 60.152 61.300 -0.616 0.000 1.173 42 I CB 0.838 38.390 38.000 -0.747 0.000 1.326 42 I HN 0.512 nan 8.210 nan 0.000 0.462 43 L N 6.708 127.997 121.223 0.111 0.000 2.349 43 L HA 0.703 5.043 4.340 0.000 0.000 0.275 43 L C 0.077 177.153 176.870 0.343 0.000 1.115 43 L CA 0.323 55.359 54.840 0.325 0.000 0.820 43 L CB 1.086 43.506 42.059 0.600 0.000 1.135 43 L HN 0.701 nan 8.230 nan 0.000 0.445 44 A N 4.871 127.831 122.820 0.232 0.000 2.423 44 A HA 0.580 4.900 4.320 0.000 0.000 0.304 44 A C 0.282 177.926 177.584 0.101 0.000 1.104 44 A CA -0.638 51.525 52.037 0.211 0.000 0.757 44 A CB 1.132 20.210 19.000 0.130 0.000 1.313 44 A HN 0.840 nan 8.150 nan 0.000 0.423 45 L N -0.198 121.031 121.223 0.010 0.000 2.509 45 L HA 0.161 4.501 4.340 0.000 0.000 0.222 45 L C 0.873 177.712 176.870 -0.051 0.000 1.123 45 L CA 0.771 55.545 54.840 -0.111 0.000 0.856 45 L CB 0.085 41.986 42.059 -0.263 0.000 0.985 45 L HN 0.711 nan 8.230 nan 0.000 0.456 46 Q N -0.473 119.322 119.800 -0.008 0.000 2.418 46 Q HA 0.136 4.476 4.340 0.000 0.000 0.282 46 Q C -0.419 175.603 176.000 0.036 0.000 1.044 46 Q CA -0.251 55.560 55.803 0.014 0.000 0.813 46 Q CB 2.375 31.119 28.738 0.009 0.000 1.428 46 Q HN 0.000 nan 8.270 nan 0.000 0.402 47 E N 1.009 121.238 120.200 0.049 0.000 2.208 47 E HA -0.028 4.322 4.350 0.000 0.000 0.193 47 E C 1.483 178.111 176.600 0.047 0.000 0.988 47 E CA 1.322 57.756 56.400 0.057 0.000 0.828 47 E CB 0.062 29.803 29.700 0.069 0.000 0.763 47 E HN 0.651 nan 8.360 nan 0.000 0.478 48 A N 0.300 123.148 122.820 0.046 0.000 1.940 48 A HA -0.223 4.097 4.320 0.000 0.000 0.219 48 A C 2.241 179.844 177.584 0.032 0.000 1.176 48 A CA 1.413 53.478 52.037 0.046 0.000 0.631 48 A CB -0.896 18.142 19.000 0.063 0.000 0.814 48 A HN 0.421 nan 8.150 nan 0.000 0.446 49 C N -1.463 117.853 119.300 0.026 0.000 2.466 49 C HA -0.007 4.453 4.460 0.000 0.000 0.278 49 C C 2.670 177.664 174.990 0.006 0.000 1.288 49 C CA 0.695 59.719 59.018 0.010 0.000 1.722 49 C CB -1.287 26.459 27.740 0.011 0.000 2.017 49 C HN 0.450 nan 8.230 nan 0.000 0.488 50 V N 1.153 121.085 119.914 0.029 0.000 2.252 50 V HA -0.232 3.888 4.120 0.000 0.000 0.249 50 V C 2.457 178.540 176.094 -0.017 0.000 1.056 50 V CA 2.367 64.689 62.300 0.038 0.000 1.022 50 V CB -0.792 31.071 31.823 0.066 0.000 0.641 50 V HN 0.469 nan 8.190 nan 0.000 0.445 51 V N 0.647 120.557 119.914 -0.007 0.000 2.427 51 V HA -0.118 4.002 4.120 0.000 0.000 0.248 51 V C 2.618 178.676 176.094 -0.060 0.000 1.051 51 V CA 1.970 64.255 62.300 -0.026 0.000 1.048 51 V CB -1.337 30.498 31.823 0.020 0.000 0.666 51 V HN 0.619 nan 8.190 nan 0.000 0.456 52 G N 0.100 108.873 108.800 -0.045 0.000 2.418 52 G HA2 -0.227 3.733 3.960 0.000 0.000 0.217 52 G HA3 -0.227 3.733 3.960 0.000 0.000 0.217 52 G C 1.578 176.354 174.900 -0.205 0.000 1.158 52 G CA 1.080 46.127 45.100 -0.090 0.000 0.771 52 G HN 0.486 nan 8.290 nan 0.000 0.545 53 I N 1.374 121.824 120.570 -0.200 0.000 2.179 53 I HA -0.170 4.000 4.170 0.000 0.000 0.242 53 I C 3.300 179.111 176.117 -0.510 0.000 1.088 53 I CA 1.041 62.183 61.300 -0.262 0.000 1.357 53 I CB -0.247 37.671 38.000 -0.137 0.000 1.051 53 I HN 0.238 nan 8.210 nan 0.000 0.409 54 A N 0.218 122.599 122.820 -0.732 0.000 1.933 54 A HA -0.288 4.032 4.320 0.000 0.000 0.218 54 A C 2.041 179.382 177.584 -0.405 0.000 1.175 54 A CA 2.209 53.628 52.037 -1.029 0.000 0.628 54 A CB -0.627 17.970 19.000 -0.672 0.000 0.814 54 A HN 0.445 nan 8.150 nan 0.000 0.444 55 D N -0.358 119.913 120.400 -0.214 0.000 2.084 55 D HA -0.070 4.570 4.640 0.000 0.000 0.194 55 D C 2.093 178.342 176.300 -0.085 0.000 0.990 55 D CA 1.738 55.703 54.000 -0.057 0.000 0.826 55 D CB -0.676 40.173 40.800 0.081 0.000 0.971 55 D HN 0.283 nan 8.370 nan 0.000 0.453 56 G N -0.974 107.711 108.800 -0.191 0.000 2.440 56 G HA2 -0.323 3.637 3.960 0.000 0.000 0.218 56 G HA3 -0.323 3.637 3.960 0.000 0.000 0.218 56 G C 1.696 176.462 174.900 -0.223 0.000 1.154 56 G CA 1.009 45.931 45.100 -0.296 0.000 0.767 56 G HN 0.387 nan 8.290 nan 0.000 0.552 57 Y N 1.948 122.078 120.300 -0.284 0.000 2.145 57 Y HA -0.019 4.531 4.550 0.000 0.000 0.286 57 Y C 2.934 178.771 175.900 -0.104 0.000 1.145 57 Y CA 1.539 59.531 58.100 -0.179 0.000 1.148 57 Y CB -0.359 37.982 38.460 -0.198 0.000 0.981 57 Y HN 0.250 nan 8.280 nan 0.000 0.507 58 A N 0.020 122.808 122.820 -0.053 0.000 1.873 58 A HA -0.218 4.102 4.320 0.000 0.000 0.215 58 A C 2.126 179.665 177.584 -0.075 0.000 1.186 58 A CA 1.843 53.852 52.037 -0.048 0.000 0.616 58 A CB -0.723 18.293 19.000 0.027 0.000 0.823 58 A HN 0.648 nan 8.150 nan 0.000 0.442 59 Q N -0.774 118.987 119.800 -0.065 0.000 2.084 59 Q HA -0.108 4.232 4.340 0.000 0.000 0.202 59 Q C 2.425 178.432 176.000 0.012 0.000 0.978 59 Q CA 1.405 57.212 55.803 0.007 0.000 0.844 59 Q CB -0.333 28.430 28.738 0.040 0.000 0.898 59 Q HN 0.683 nan 8.270 nan 0.000 0.426 60 A N 1.015 123.764 122.820 -0.118 0.000 1.929 60 A HA -0.134 4.186 4.320 0.000 0.000 0.216 60 A C 2.216 179.737 177.584 -0.105 0.000 1.176 60 A CA 1.572 53.574 52.037 -0.058 0.000 0.628 60 A CB -0.403 18.514 19.000 -0.139 0.000 0.816 60 A HN 0.426 nan 8.150 nan 0.000 0.444 61 S N -1.257 114.300 115.700 -0.239 0.000 2.489 61 S HA 0.007 4.477 4.470 0.000 0.000 0.228 61 S C 0.865 175.392 174.600 -0.121 0.000 0.995 61 S CA 0.515 58.561 58.200 -0.257 0.000 0.934 61 S CB -0.337 62.559 63.200 -0.506 0.000 0.771 61 S HN 0.522 nan 8.310 nan 0.000 0.522 62 R N 1.164 121.622 120.500 -0.069 0.000 3.336 62 R HA -0.159 4.181 4.340 0.000 0.000 0.260 62 R C -0.502 175.790 176.300 -0.014 0.000 1.032 62 R CA 1.222 57.312 56.100 -0.018 0.000 0.693 62 R CB -2.138 28.162 30.300 0.000 0.000 1.134 62 R HN 0.873 nan 8.270 nan 0.000 0.433 63 K N -1.627 118.763 120.400 -0.017 0.000 2.579 63 K HA 0.563 4.883 4.320 0.000 0.000 0.284 63 K C -3.176 173.456 176.600 0.054 0.000 0.990 63 K CA -2.109 54.189 56.287 0.017 0.000 0.880 63 K CB 2.504 35.014 32.500 0.018 0.000 1.488 63 K HN -0.292 nan 8.250 nan 0.000 0.425 64 P HA 0.126 nan 4.420 nan 0.000 0.271 64 P C -1.109 176.317 177.300 0.210 0.000 1.218 64 P CA -0.245 62.930 63.100 0.126 0.000 0.780 64 P CB 0.961 32.733 31.700 0.119 0.000 0.901 65 A N 2.569 125.527 122.820 0.231 0.000 2.355 65 A HA 0.666 4.986 4.320 0.000 0.000 0.324 65 A C -1.366 176.427 177.584 0.350 0.000 1.117 65 A CA -0.576 51.672 52.037 0.351 0.000 0.785 65 A CB 0.651 19.810 19.000 0.265 0.000 1.254 65 A HN 0.476 nan 8.150 nan 0.000 0.453 66 F N 2.069 122.207 119.950 0.313 0.000 2.436 66 F HA 0.748 5.275 4.527 0.000 0.000 0.340 66 F C -0.684 175.300 175.800 0.307 0.000 1.113 66 F CA -0.733 57.424 58.000 0.261 0.000 1.022 66 F CB 1.005 40.153 39.000 0.246 0.000 1.128 66 F HN 0.422 nan 8.300 nan 0.000 0.466 67 I N 4.785 125.164 120.570 -0.318 0.000 2.569 67 I HA 0.336 4.506 4.170 0.000 0.000 0.296 67 I C -1.182 174.763 176.117 -0.287 0.000 1.028 67 I CA -0.838 60.393 61.300 -0.116 0.000 1.082 67 I CB 2.229 40.203 38.000 -0.044 0.000 1.264 67 I HN 0.557 nan 8.210 nan 0.000 0.429 68 N N 6.161 124.870 118.700 0.015 0.000 2.461 68 N HA 0.657 5.397 4.740 0.000 0.000 0.284 68 N C -1.700 173.895 175.510 0.141 0.000 1.049 68 N CA -0.342 52.761 53.050 0.087 0.000 0.889 68 N CB 1.192 39.890 38.487 0.351 0.000 1.365 68 N HN 0.464 nan 8.380 nan 0.000 0.499 69 L N 1.149 122.435 121.223 0.105 0.000 2.301 69 L HA 0.471 4.811 4.340 0.000 0.000 0.264 69 L C -0.500 176.473 176.870 0.172 0.000 1.016 69 L CA -1.244 53.682 54.840 0.144 0.000 0.821 69 L CB 1.564 43.696 42.059 0.122 0.000 1.346 69 L HN 0.592 nan 8.230 nan 0.000 0.429 70 H N 0.739 119.868 119.070 0.099 0.000 2.761 70 H HA 0.353 4.909 4.556 0.000 0.000 0.284 70 H C 0.275 175.659 175.328 0.094 0.000 1.105 70 H CA 0.932 57.036 56.048 0.094 0.000 1.352 70 H CB 0.596 30.405 29.762 0.079 0.000 1.423 70 H HN 0.697 nan 8.280 nan 0.000 0.464 71 S N 2.872 118.356 115.700 -0.361 0.000 3.330 71 S HA -0.356 4.114 4.470 0.000 0.000 0.630 71 S C 1.730 176.262 174.600 -0.114 0.000 2.776 71 S CA 1.485 59.489 58.200 -0.327 0.000 3.494 71 S CB -1.439 61.373 63.200 -0.647 0.000 0.291 71 S HN 1.145 nan 8.310 nan 0.000 1.451 72 A N 0.489 123.249 122.820 -0.099 0.000 1.873 72 A HA 0.305 4.625 4.320 0.000 0.000 0.215 72 A C 2.645 180.213 177.584 -0.027 0.000 1.186 72 A CA 2.751 54.764 52.037 -0.041 0.000 0.616 72 A CB -1.538 17.441 19.000 -0.034 0.000 0.823 72 A HN 1.770 nan 8.150 nan 0.000 0.442 73 A N -0.597 122.209 122.820 -0.024 0.000 1.898 73 A HA 0.167 4.487 4.320 0.000 0.000 0.216 73 A C 2.392 180.008 177.584 0.053 0.000 1.181 73 A CA 1.882 53.937 52.037 0.031 0.000 0.620 73 A CB -1.322 17.724 19.000 0.077 0.000 0.819 73 A HN 0.702 nan 8.150 nan 0.000 0.442 74 G N -1.130 107.713 108.800 0.073 0.000 2.402 74 G HA2 -0.112 3.848 3.960 0.000 0.000 0.216 74 G HA3 -0.112 3.848 3.960 0.000 0.000 0.216 74 G C 1.571 176.515 174.900 0.074 0.000 1.162 74 G CA 1.600 46.761 45.100 0.102 0.000 0.777 74 G HN 0.415 nan 8.290 nan 0.000 0.539 75 T N 1.097 115.690 114.554 0.065 0.000 2.684 75 T HA -0.078 4.272 4.350 0.000 0.000 0.267 75 T C 2.500 177.199 174.700 -0.003 0.000 1.036 75 T CA 1.578 63.711 62.100 0.055 0.000 1.148 75 T CB -0.680 68.226 68.868 0.063 0.000 0.863 75 T HN 0.353 nan 8.240 nan 0.000 0.436 76 G N 2.072 110.865 108.800 -0.012 0.000 2.446 76 G HA2 -0.281 3.679 3.960 0.000 0.000 0.217 76 G HA3 -0.281 3.679 3.960 0.000 0.000 0.217 76 G C 1.621 176.522 174.900 0.002 0.000 1.168 76 G CA 0.774 45.862 45.100 -0.021 0.000 0.771 76 G HN 0.390 nan 8.290 nan 0.000 0.551 77 N N 1.074 119.789 118.700 0.024 0.000 2.348 77 N HA -0.043 4.697 4.740 0.000 0.000 0.185 77 N C 2.028 177.559 175.510 0.035 0.000 1.019 77 N CA 1.063 54.134 53.050 0.035 0.000 0.880 77 N CB -0.222 38.293 38.487 0.047 0.000 0.965 77 N HN 0.353 nan 8.380 nan 0.000 0.437 78 A N -0.475 122.363 122.820 0.030 0.000 2.275 78 A HA 0.166 4.486 4.320 0.000 0.000 0.212 78 A C 1.867 179.459 177.584 0.015 0.000 1.201 78 A CA 0.016 52.072 52.037 0.031 0.000 0.843 78 A CB -0.030 18.995 19.000 0.041 0.000 0.873 78 A HN 0.047 nan 8.150 nan 0.000 0.492 79 M N -0.530 119.067 119.600 -0.005 0.000 2.319 79 M HA -0.045 4.435 4.480 0.000 0.000 0.265 79 M C 2.149 178.440 176.300 -0.014 0.000 1.068 79 M CA 1.295 56.578 55.300 -0.027 0.000 1.118 79 M CB -1.220 31.348 32.600 -0.055 0.000 1.395 79 M HN 0.504 nan 8.290 nan 0.000 0.435 80 G N 0.054 108.855 108.800 0.002 0.000 2.422 80 G HA2 -0.088 3.872 3.960 0.000 0.000 0.218 80 G HA3 -0.088 3.872 3.960 0.000 0.000 0.218 80 G C 1.636 176.541 174.900 0.008 0.000 1.146 80 G CA 1.036 46.137 45.100 0.001 0.000 0.769 80 G HN 0.521 nan 8.290 nan 0.000 0.547 81 A N 0.600 123.438 122.820 0.030 0.000 1.933 81 A HA 0.116 4.436 4.320 0.000 0.000 0.218 81 A C 2.393 180.007 177.584 0.050 0.000 1.175 81 A CA 1.116 53.185 52.037 0.053 0.000 0.628 81 A CB -0.360 18.677 19.000 0.061 0.000 0.814 81 A HN 0.356 nan 8.150 nan 0.000 0.444 82 L N 0.476 121.723 121.223 0.039 0.000 2.201 82 L HA -0.177 4.163 4.340 0.000 0.000 0.212 82 L C 3.016 179.929 176.870 0.071 0.000 1.105 82 L CA 1.394 56.268 54.840 0.057 0.000 0.775 82 L CB -0.526 41.553 42.059 0.033 0.000 0.913 82 L HN 0.654 nan 8.230 nan 0.000 0.440 83 S N 0.027 115.742 115.700 0.026 0.000 2.359 83 S HA -0.202 4.268 4.470 0.000 0.000 0.224 83 S C 1.825 176.447 174.600 0.037 0.000 1.035 83 S CA 1.421 59.635 58.200 0.022 0.000 1.018 83 S CB -0.424 62.761 63.200 -0.025 0.000 0.876 83 S HN 0.426 nan 8.310 nan 0.000 0.448 84 N N 2.550 121.236 118.700 -0.024 0.000 2.084 84 N HA 0.052 4.792 4.740 0.000 0.000 0.190 84 N C 2.090 177.559 175.510 -0.069 0.000 1.030 84 N CA 1.525 54.506 53.050 -0.116 0.000 0.849 84 N CB -1.031 37.321 38.487 -0.225 0.000 1.012 84 N HN 0.635 nan 8.380 nan 0.000 0.423 85 A N 1.360 124.190 122.820 0.017 0.000 1.940 85 A HA -0.171 4.149 4.320 0.000 0.000 0.219 85 A C 2.067 179.690 177.584 0.065 0.000 1.176 85 A CA 1.078 53.143 52.037 0.046 0.000 0.631 85 A CB -1.059 17.993 19.000 0.087 0.000 0.814 85 A HN 0.594 nan 8.150 nan 0.000 0.446 86 W N 1.095 122.368 121.300 -0.045 0.000 2.335 86 W HA -0.204 4.456 4.660 0.000 0.000 0.311 86 W C 1.411 177.859 176.519 -0.117 0.000 1.213 86 W CA 2.075 59.396 57.345 -0.040 0.000 1.274 86 W CB -0.474 28.966 29.460 -0.034 0.000 1.148 86 W HN 0.401 nan 8.180 nan 0.000 0.498 87 N N 0.315 118.985 118.700 -0.050 0.000 2.381 87 N HA -0.140 4.600 4.740 0.000 0.000 0.182 87 N C 1.750 177.048 175.510 -0.354 0.000 1.025 87 N CA 1.917 54.843 53.050 -0.205 0.000 0.888 87 N CB -0.457 37.989 38.487 -0.068 0.000 0.965 87 N HN 0.139 nan 8.380 nan 0.000 0.438 88 S N -1.402 114.145 115.700 -0.255 0.000 2.575 88 S HA 0.075 4.545 4.470 0.000 0.000 0.215 88 S C -0.135 174.393 174.600 -0.121 0.000 0.966 88 S CA -0.304 57.789 58.200 -0.179 0.000 0.911 88 S CB -0.616 62.529 63.200 -0.091 0.000 0.780 88 S HN 0.411 nan 8.310 nan 0.000 0.514 89 H N 0.730 119.697 119.070 -0.172 0.000 2.770 89 H HA -0.129 4.427 4.556 0.000 0.000 0.309 89 H C -0.616 174.659 175.328 -0.088 0.000 1.206 89 H CA 0.379 56.316 56.048 -0.185 0.000 1.147 89 H CB -2.168 27.496 29.762 -0.164 0.000 1.422 89 H HN 0.358 nan 8.280 nan 0.000 0.420 90 S N 2.262 117.985 115.700 0.040 0.000 2.499 90 S HA 0.160 4.630 4.470 0.000 0.000 0.275 90 S C -1.851 172.785 174.600 0.059 0.000 1.257 90 S CA -1.067 57.165 58.200 0.054 0.000 1.050 90 S CB 1.089 64.320 63.200 0.053 0.000 0.937 90 S HN 0.194 nan 8.310 nan 0.000 0.490 91 P HA 0.245 nan 4.420 nan 0.000 0.256 91 P C -1.115 176.236 177.300 0.084 0.000 1.689 91 P CA -0.047 63.092 63.100 0.065 0.000 1.124 91 P CB -0.195 31.537 31.700 0.053 0.000 1.766 92 L N 4.424 125.702 121.223 0.091 0.000 2.313 92 L HA 0.506 4.846 4.340 0.000 0.000 0.283 92 L C 0.550 177.476 176.870 0.093 0.000 1.013 92 L CA -0.992 53.901 54.840 0.089 0.000 0.816 92 L CB 1.948 44.051 42.059 0.073 0.000 1.236 92 L HN 0.141 nan 8.230 nan 0.000 0.419 93 I N 4.177 124.790 120.570 0.072 0.000 2.307 93 I HA 0.203 4.373 4.170 0.000 0.000 0.287 93 I C -0.277 175.749 176.117 -0.151 0.000 1.054 93 I CA -0.467 60.849 61.300 0.026 0.000 1.218 93 I CB 1.304 39.370 38.000 0.111 0.000 1.398 93 I HN 0.226 nan 8.210 nan 0.000 0.475 94 V N 5.394 125.272 119.914 -0.060 0.000 2.348 94 V HA 0.312 4.432 4.120 0.000 0.000 0.270 94 V C 0.578 176.551 176.094 -0.202 0.000 1.037 94 V CA -0.439 61.818 62.300 -0.073 0.000 0.872 94 V CB 1.058 32.967 31.823 0.144 0.000 1.002 94 V HN 0.805 nan 8.190 nan 0.000 0.464 95 T N 2.314 116.661 114.554 -0.344 0.000 2.895 95 T HA 0.886 5.236 4.350 0.000 0.000 0.283 95 T C -0.363 174.190 174.700 -0.246 0.000 1.014 95 T CA -0.486 61.401 62.100 -0.355 0.000 1.037 95 T CB 2.075 70.728 68.868 -0.358 0.000 1.006 95 T HN 1.003 nan 8.240 nan 0.000 0.468 96 A N 1.430 124.085 122.820 -0.276 0.000 2.486 96 A HA 0.856 5.176 4.320 0.000 0.000 0.300 96 A C 0.194 177.750 177.584 -0.047 0.000 1.048 96 A CA -0.687 51.284 52.037 -0.109 0.000 0.696 96 A CB 1.402 20.375 19.000 -0.045 0.000 1.278 96 A HN 1.336 nan 8.150 nan 0.000 0.405 97 G N 0.178 109.017 108.800 0.065 0.000 2.415 97 G HA2 0.499 4.459 3.960 0.000 0.000 0.269 97 G HA3 0.499 4.459 3.960 0.000 0.000 0.269 97 G C -0.296 174.664 174.900 0.100 0.000 1.209 97 G CA -0.114 45.078 45.100 0.154 0.000 0.835 97 G HN 0.851 nan 8.290 nan 0.000 0.534 98 Q N 0.242 120.115 119.800 0.122 0.000 2.297 98 Q HA 0.345 4.685 4.340 0.000 0.000 0.268 98 Q C 0.204 176.297 176.000 0.155 0.000 1.045 98 Q CA -0.694 55.153 55.803 0.073 0.000 0.861 98 Q CB 1.189 29.925 28.738 -0.004 0.000 1.344 98 Q HN 0.480 nan 8.270 nan 0.000 0.452 99 Q N 0.465 120.328 119.800 0.105 0.000 2.540 99 Q HA 0.045 4.385 4.340 0.000 0.000 0.256 99 Q C -0.464 175.454 176.000 -0.138 0.000 1.084 99 Q CA 0.403 56.266 55.803 0.100 0.000 0.956 99 Q CB 0.582 29.358 28.738 0.063 0.000 1.303 99 Q HN 0.834 nan 8.270 nan 0.000 0.509 100 T N 1.013 115.287 114.554 -0.466 0.000 2.946 100 T HA -0.010 4.340 4.350 0.000 0.000 0.311 100 T C 1.394 175.932 174.700 -0.270 0.000 1.063 100 T CA 0.140 61.860 62.100 -0.634 0.000 1.139 100 T CB 0.350 68.725 68.868 -0.822 0.000 0.994 100 T HN 0.477 nan 8.240 nan 0.000 0.547 101 R N 3.067 123.437 120.500 -0.217 0.000 2.105 101 R HA -0.125 4.215 4.340 0.000 0.000 0.239 101 R C 2.538 178.778 176.300 -0.099 0.000 1.135 101 R CA 1.462 57.481 56.100 -0.134 0.000 0.967 101 R CB -0.485 29.745 30.300 -0.115 0.000 0.861 101 R HN 0.725 nan 8.270 nan 0.000 0.442 102 A N 0.425 123.186 122.820 -0.099 0.000 2.121 102 A HA -0.068 4.253 4.320 0.000 0.000 0.218 102 A C 1.832 179.389 177.584 -0.045 0.000 1.154 102 A CA 1.083 53.083 52.037 -0.061 0.000 0.679 102 A CB -0.156 18.815 19.000 -0.048 0.000 0.795 102 A HN 0.206 nan 8.150 nan 0.000 0.458 103 M N -1.304 118.265 119.600 -0.053 0.000 2.333 103 M HA 0.282 4.762 4.480 0.000 0.000 0.257 103 M C 1.264 177.552 176.300 -0.020 0.000 1.078 103 M CA 0.162 55.449 55.300 -0.023 0.000 1.005 103 M CB 0.088 32.686 32.600 -0.004 0.000 1.444 103 M HN 0.314 nan 8.290 nan 0.000 0.496 104 I N 0.369 120.917 120.570 -0.037 0.000 2.252 104 I HA -0.141 4.029 4.170 0.000 0.000 0.245 104 I C 2.520 178.623 176.117 -0.024 0.000 1.102 104 I CA 1.412 62.693 61.300 -0.032 0.000 1.385 104 I CB -0.559 37.411 38.000 -0.049 0.000 1.064 104 I HN 0.356 nan 8.210 nan 0.000 0.414 105 G N 0.054 108.839 108.800 -0.025 0.000 2.422 105 G HA2 -0.224 3.736 3.960 0.000 0.000 0.218 105 G HA3 -0.224 3.736 3.960 0.000 0.000 0.218 105 G C 1.698 176.590 174.900 -0.012 0.000 1.146 105 G CA 0.810 45.898 45.100 -0.020 0.000 0.769 105 G HN 0.303 nan 8.290 nan 0.000 0.547 106 V N 0.336 120.245 119.914 -0.008 0.000 3.217 106 V HA 0.108 4.228 4.120 0.000 0.000 0.264 106 V C 0.730 176.825 176.094 0.002 0.000 1.135 106 V CA 1.189 63.488 62.300 -0.002 0.000 1.142 106 V CB -0.755 31.069 31.823 0.002 0.000 0.754 106 V HN 0.652 nan 8.190 nan 0.000 0.484 107 E N -0.122 120.078 120.200 0.001 0.000 2.246 107 E HA -0.204 4.146 4.350 0.000 0.000 0.211 107 E C 0.403 177.013 176.600 0.016 0.000 1.278 107 E CA 0.158 56.561 56.400 0.005 0.000 0.694 107 E CB -1.617 28.083 29.700 0.001 0.000 1.166 107 E HN 0.776 nan 8.360 nan 0.000 0.370 108 A N 0.840 123.673 122.820 0.022 0.000 2.492 108 A HA 0.243 4.563 4.320 0.000 0.000 0.236 108 A C 0.531 178.142 177.584 0.046 0.000 1.078 108 A CA -0.165 51.895 52.037 0.037 0.000 0.773 108 A CB 0.350 19.378 19.000 0.048 0.000 1.023 108 A HN 0.384 nan 8.150 nan 0.000 0.504 109 L N 1.082 122.337 121.223 0.053 0.000 2.573 109 L HA 0.060 4.400 4.340 0.000 0.000 0.290 109 L C 0.888 177.813 176.870 0.091 0.000 1.247 109 L CA 1.572 56.451 54.840 0.064 0.000 0.876 109 L CB -0.316 41.781 42.059 0.064 0.000 1.123 109 L HN 0.756 nan 8.230 nan 0.000 0.505 110 L N 1.280 122.560 121.223 0.094 0.000 4.892 110 L HA -0.219 4.121 4.340 0.000 0.000 0.403 110 L C 0.405 177.309 176.870 0.057 0.000 0.913 110 L CA 0.429 55.336 54.840 0.111 0.000 1.653 110 L CB -2.558 39.631 42.059 0.218 0.000 1.780 110 L HN 0.732 nan 8.230 nan 0.000 0.597 111 T N 1.236 115.816 114.554 0.044 0.000 2.870 111 T HA 0.154 4.504 4.350 0.000 0.000 0.300 111 T C 0.623 175.321 174.700 -0.003 0.000 0.989 111 T CA 0.080 62.191 62.100 0.019 0.000 1.139 111 T CB 0.965 69.841 68.868 0.013 0.000 0.920 111 T HN 0.168 nan 8.240 nan 0.000 0.537 112 N N 3.792 122.484 118.700 -0.013 0.000 2.521 112 N HA 0.146 4.886 4.740 0.000 0.000 0.236 112 N C -0.585 174.915 175.510 -0.016 0.000 1.067 112 N CA -0.330 52.711 53.050 -0.016 0.000 0.939 112 N CB 0.273 38.758 38.487 -0.004 0.000 1.201 112 N HN 0.271 nan 8.380 nan 0.000 0.511 113 V N 3.335 123.238 119.914 -0.018 0.000 2.572 113 V HA 0.033 4.153 4.120 0.000 0.000 0.291 113 V C 0.777 176.853 176.094 -0.030 0.000 1.039 113 V CA -0.178 62.108 62.300 -0.023 0.000 1.055 113 V CB 0.618 32.428 31.823 -0.020 0.000 0.969 113 V HN 0.765 nan 8.190 nan 0.000 0.482 114 D N 3.266 123.644 120.400 -0.036 0.000 2.708 114 D HA -0.239 4.401 4.640 0.000 0.000 0.236 114 D C 1.270 177.545 176.300 -0.041 0.000 1.146 114 D CA 0.949 54.923 54.000 -0.043 0.000 0.662 114 D CB -0.620 40.155 40.800 -0.042 0.000 1.059 114 D HN 0.809 nan 8.370 nan 0.000 0.428 115 A N 0.390 123.194 122.820 -0.027 0.000 1.917 115 A HA 0.028 4.348 4.320 0.000 0.000 0.219 115 A C 2.498 180.109 177.584 0.046 0.000 1.182 115 A CA 2.514 54.567 52.037 0.027 0.000 0.633 115 A CB -0.740 18.289 19.000 0.049 0.000 0.819 115 A HN 0.802 nan 8.150 nan 0.000 0.448 116 A N -0.364 122.453 122.820 -0.005 0.000 2.070 116 A HA -0.139 4.181 4.320 0.000 0.000 0.220 116 A C 1.786 179.328 177.584 -0.071 0.000 1.159 116 A CA 1.551 53.578 52.037 -0.016 0.000 0.656 116 A CB -0.503 18.442 19.000 -0.093 0.000 0.800 116 A HN 0.550 nan 8.150 nan 0.000 0.453 117 N N -0.475 118.176 118.700 -0.082 0.000 2.446 117 N HA -0.045 4.695 4.740 0.000 0.000 0.179 117 N C 1.484 176.909 175.510 -0.142 0.000 1.054 117 N CA 0.743 53.733 53.050 -0.100 0.000 0.905 117 N CB -0.244 38.197 38.487 -0.076 0.000 0.973 117 N HN 0.445 nan 8.380 nan 0.000 0.448 118 L N 2.627 123.748 121.223 -0.171 0.000 1.989 118 L HA -0.044 4.296 4.340 0.000 0.000 0.211 118 L C -1.025 175.676 176.870 -0.281 0.000 1.071 118 L CA 2.076 56.791 54.840 -0.210 0.000 0.749 118 L CB -1.329 40.606 42.059 -0.207 0.000 0.890 118 L HN 0.089 nan 8.230 nan 0.000 0.431 119 P HA -0.028 nan 4.420 nan 0.000 0.255 119 P C -0.150 177.002 177.300 -0.247 0.000 1.248 119 P CA 0.199 63.076 63.100 -0.371 0.000 0.807 119 P CB -0.043 31.317 31.700 -0.566 0.000 1.150 120 R N 2.125 122.497 120.500 -0.213 0.000 2.590 120 R HA 0.157 4.497 4.340 0.000 0.000 0.274 120 R C -1.422 174.760 176.300 -0.196 0.000 1.061 120 R CA -0.960 55.026 56.100 -0.190 0.000 1.081 120 R CB -0.123 30.089 30.300 -0.146 0.000 0.984 120 R HN 0.107 nan 8.270 nan 0.000 0.448 121 P HA 0.114 nan 4.420 nan 0.000 0.254 121 P C 0.067 177.027 177.300 -0.568 0.000 1.620 121 P CA 0.279 63.175 63.100 -0.340 0.000 1.050 121 P CB 0.321 31.832 31.700 -0.316 0.000 1.539 122 L N -0.095 120.876 121.223 -0.420 0.000 2.653 122 L HA 0.188 4.528 4.340 0.000 0.000 0.231 122 L C 0.794 177.614 176.870 -0.083 0.000 1.153 122 L CA -0.248 54.357 54.840 -0.392 0.000 0.933 122 L CB 0.272 42.224 42.059 -0.178 0.000 1.175 122 L HN -0.107 nan 8.230 nan 0.000 0.473 123 V N -4.976 114.897 119.914 -0.068 0.000 2.962 123 V HA 0.383 4.503 4.120 0.000 0.000 0.313 123 V C 0.605 176.902 176.094 0.339 0.000 1.099 123 V CA -1.004 61.430 62.300 0.224 0.000 0.971 123 V CB 2.146 34.056 31.823 0.144 0.000 1.028 123 V HN 0.052 nan 8.190 nan 0.000 0.430 124 K N 1.051 121.756 120.400 0.508 0.000 2.217 124 K HA 0.121 4.441 4.320 0.000 0.000 0.202 124 K C -0.272 176.575 176.600 0.412 0.000 1.051 124 K CA 1.448 58.017 56.287 0.470 0.000 0.952 124 K CB 0.184 32.892 32.500 0.347 0.000 0.736 124 K HN 0.744 nan 8.250 nan 0.000 0.453 125 W N -0.108 121.284 121.300 0.153 0.000 3.573 125 W HA 0.322 4.982 4.660 0.000 0.000 0.306 125 W C -1.727 174.883 176.519 0.152 0.000 1.227 125 W CA -0.633 56.783 57.345 0.117 0.000 1.212 125 W CB 1.875 31.381 29.460 0.076 0.000 1.331 125 W HN -0.331 nan 8.180 nan 0.000 0.524 126 S N 4.916 120.330 115.700 -0.477 0.000 2.572 126 S HA 0.744 5.214 4.470 0.000 0.000 0.274 126 S C -2.264 172.013 174.600 -0.538 0.000 1.150 126 S CA -0.345 57.660 58.200 -0.326 0.000 0.944 126 S CB 0.833 63.985 63.200 -0.080 0.000 1.071 126 S HN 0.548 nan 8.310 nan 0.000 0.479 127 Y N 2.037 121.954 120.300 -0.638 0.000 2.592 127 Y HA 0.535 5.085 4.550 0.000 0.000 0.334 127 Y C -1.435 174.272 175.900 -0.321 0.000 1.136 127 Y CA -0.628 57.106 58.100 -0.610 0.000 1.042 127 Y CB 1.594 39.370 38.460 -1.139 0.000 1.325 127 Y HN 0.712 nan 8.280 nan 0.000 0.457 128 E N 6.259 125.994 120.200 -0.775 0.000 2.218 128 E HA 0.502 4.852 4.350 0.000 0.000 0.263 128 E C -2.857 173.257 176.600 -0.811 0.000 0.879 128 E CA -2.514 53.544 56.400 -0.569 0.000 0.762 128 E CB 1.870 31.364 29.700 -0.343 0.000 1.166 128 E HN 0.307 nan 8.360 nan 0.000 0.415 129 P HA 0.111 nan 4.420 nan 0.000 0.272 129 P C -0.337 176.855 177.300 -0.179 0.000 1.223 129 P CA -0.036 62.945 63.100 -0.198 0.000 0.784 129 P CB 1.163 32.879 31.700 0.027 0.000 0.923 130 A N 1.186 123.961 122.820 -0.075 0.000 2.208 130 A HA 0.256 4.576 4.320 0.000 0.000 0.209 130 A C 0.604 178.161 177.584 -0.044 0.000 1.161 130 A CA 0.943 52.944 52.037 -0.061 0.000 0.782 130 A CB -0.582 18.412 19.000 -0.010 0.000 0.816 130 A HN 0.627 nan 8.150 nan 0.000 0.477 131 S N -3.964 111.715 115.700 -0.035 0.000 2.587 131 S HA 0.610 5.080 4.470 0.000 0.000 0.269 131 S C 0.619 175.186 174.600 -0.055 0.000 1.154 131 S CA -0.046 58.130 58.200 -0.040 0.000 0.824 131 S CB 1.020 64.212 63.200 -0.013 0.000 1.118 131 S HN 0.927 nan 8.310 nan 0.000 0.462 132 A N 1.339 124.117 122.820 -0.071 0.000 1.902 132 A HA 0.298 4.618 4.320 0.000 0.000 0.217 132 A C 2.231 179.782 177.584 -0.054 0.000 1.181 132 A CA 1.896 53.873 52.037 -0.100 0.000 0.623 132 A CB -1.503 17.446 19.000 -0.085 0.000 0.818 132 A HN 1.714 nan 8.150 nan 0.000 0.443 133 A N -0.707 122.106 122.820 -0.011 0.000 2.121 133 A HA -0.087 4.233 4.320 0.000 0.000 0.218 133 A C 1.876 179.485 177.584 0.041 0.000 1.154 133 A CA 1.445 53.494 52.037 0.020 0.000 0.679 133 A CB -0.417 18.596 19.000 0.023 0.000 0.795 133 A HN 0.669 nan 8.150 nan 0.000 0.458 134 E N -0.087 120.142 120.200 0.049 0.000 2.358 134 E HA -0.047 4.303 4.350 0.000 0.000 0.195 134 E C 1.542 178.224 176.600 0.137 0.000 1.010 134 E CA 0.670 57.140 56.400 0.117 0.000 0.856 134 E CB -0.045 29.744 29.700 0.149 0.000 0.795 134 E HN 0.359 nan 8.360 nan 0.000 0.504 135 V N 1.689 121.629 119.914 0.043 0.000 2.287 135 V HA -0.209 3.911 4.120 0.000 0.000 0.248 135 V C -0.779 175.373 176.094 0.097 0.000 1.053 135 V CA 2.140 64.444 62.300 0.005 0.000 1.027 135 V CB -1.299 30.397 31.823 -0.212 0.000 0.646 135 V HN 0.297 nan 8.190 nan 0.000 0.447 136 P HA -0.190 nan 4.420 nan 0.000 0.215 136 P C 1.716 179.125 177.300 0.182 0.000 1.153 136 P CA 1.615 64.822 63.100 0.177 0.000 0.853 136 P CB -0.223 31.589 31.700 0.187 0.000 0.788 137 H N -0.129 118.991 119.070 0.083 0.000 2.353 137 H HA -0.081 4.475 4.556 0.000 0.000 0.300 137 H C 1.732 177.109 175.328 0.082 0.000 1.090 137 H CA 1.668 57.755 56.048 0.064 0.000 1.327 137 H CB -0.236 29.551 29.762 0.042 0.000 1.383 137 H HN -0.028 nan 8.280 nan 0.000 0.508 138 A N 1.005 123.868 122.820 0.072 0.000 1.933 138 A HA -0.188 4.132 4.320 0.000 0.000 0.218 138 A C 2.463 180.133 177.584 0.143 0.000 1.175 138 A CA 1.705 53.820 52.037 0.131 0.000 0.628 138 A CB -0.666 18.552 19.000 0.364 0.000 0.814 138 A HN 0.498 nan 8.150 nan 0.000 0.444 139 M N -0.224 119.459 119.600 0.138 0.000 2.159 139 M HA -0.081 4.399 4.480 0.000 0.000 0.263 139 M C 2.269 178.604 176.300 0.057 0.000 1.063 139 M CA 2.029 57.418 55.300 0.148 0.000 1.110 139 M CB -0.529 32.180 32.600 0.182 0.000 1.374 139 M HN 0.391 nan 8.290 nan 0.000 0.411 140 S N -0.096 115.611 115.700 0.012 0.000 2.359 140 S HA -0.195 4.275 4.470 0.000 0.000 0.224 140 S C 2.057 176.577 174.600 -0.133 0.000 1.035 140 S CA 1.744 59.922 58.200 -0.038 0.000 1.018 140 S CB -0.212 63.020 63.200 0.053 0.000 0.876 140 S HN 0.620 nan 8.310 nan 0.000 0.448 141 R N 0.697 121.032 120.500 -0.275 0.000 2.091 141 R HA -0.063 4.277 4.340 0.000 0.000 0.238 141 R C 2.668 178.700 176.300 -0.446 0.000 1.136 141 R CA 1.399 57.197 56.100 -0.504 0.000 0.959 141 R CB -0.675 29.054 30.300 -0.952 0.000 0.856 141 R HN 0.518 nan 8.270 nan 0.000 0.437 142 A N 1.310 124.038 122.820 -0.153 0.000 1.877 142 A HA -0.170 4.150 4.320 0.000 0.000 0.216 142 A C 2.180 179.770 177.584 0.009 0.000 1.186 142 A CA 1.362 53.459 52.037 0.101 0.000 0.620 142 A CB -0.560 18.612 19.000 0.286 0.000 0.822 142 A HN 0.191 nan 8.150 nan 0.000 0.443 143 I N -0.939 119.588 120.570 -0.072 0.000 2.118 143 I HA -0.315 3.855 4.170 0.000 0.000 0.241 143 I C 2.528 178.516 176.117 -0.215 0.000 1.070 143 I CA 1.638 62.845 61.300 -0.155 0.000 1.327 143 I CB -0.574 37.254 38.000 -0.287 0.000 1.034 143 I HN 0.416 nan 8.210 nan 0.000 0.405 144 H N -0.198 118.836 119.070 -0.060 0.000 2.357 144 H HA -0.055 4.501 4.556 0.000 0.000 0.301 144 H C 2.358 177.624 175.328 -0.104 0.000 1.082 144 H CA 1.191 57.183 56.048 -0.093 0.000 1.342 144 H CB -0.231 29.454 29.762 -0.129 0.000 1.389 144 H HN 0.256 nan 8.280 nan 0.000 0.511 145 M N 0.484 120.053 119.600 -0.051 0.000 2.159 145 M HA -0.069 4.411 4.480 0.000 0.000 0.263 145 M C 2.553 178.869 176.300 0.025 0.000 1.063 145 M CA 1.085 56.352 55.300 -0.054 0.000 1.110 145 M CB -1.044 31.485 32.600 -0.118 0.000 1.374 145 M HN 0.223 nan 8.290 nan 0.000 0.411 146 A N -0.776 122.074 122.820 0.049 0.000 1.969 146 A HA -0.080 4.240 4.320 0.000 0.000 0.218 146 A C 2.411 180.016 177.584 0.035 0.000 1.169 146 A CA 1.969 54.047 52.037 0.068 0.000 0.635 146 A CB -0.554 18.497 19.000 0.086 0.000 0.810 146 A HN 0.502 nan 8.150 nan 0.000 0.445 147 S N -0.849 114.865 115.700 0.023 0.000 2.478 147 S HA 0.236 4.706 4.470 0.000 0.000 0.222 147 S C 0.808 175.405 174.600 -0.007 0.000 1.008 147 S CA -0.015 58.194 58.200 0.016 0.000 0.928 147 S CB -0.160 63.057 63.200 0.029 0.000 0.781 147 S HN 0.530 nan 8.310 nan 0.000 0.518 148 M N 1.891 121.483 119.600 -0.013 0.000 2.243 148 M HA 0.307 4.787 4.480 0.000 0.000 0.341 148 M C 0.331 176.591 176.300 -0.068 0.000 1.130 148 M CA -0.410 54.865 55.300 -0.042 0.000 1.162 148 M CB 0.491 33.063 32.600 -0.046 0.000 1.497 148 M HN 0.153 nan 8.290 nan 0.000 0.456 149 A N 4.873 127.641 122.820 -0.086 0.000 2.511 149 A HA 0.374 4.694 4.320 0.000 0.000 0.242 149 A C -2.229 175.272 177.584 -0.138 0.000 1.069 149 A CA -1.082 50.877 52.037 -0.130 0.000 0.763 149 A CB -0.772 18.157 19.000 -0.117 0.000 1.001 149 A HN 0.511 nan 8.150 nan 0.000 0.498 150 P HA 0.144 nan 4.420 nan 0.000 0.282 150 P C -0.545 176.584 177.300 -0.286 0.000 1.262 150 P CA -0.091 62.775 63.100 -0.389 0.000 0.773 150 P CB 0.607 31.982 31.700 -0.542 0.000 0.879 151 Q N 1.115 120.773 119.800 -0.237 0.000 2.474 151 Q HA 0.510 4.850 4.340 0.000 0.000 0.256 151 Q C 0.703 176.670 176.000 -0.056 0.000 1.048 151 Q CA 0.346 56.094 55.803 -0.092 0.000 0.922 151 Q CB 0.447 29.163 28.738 -0.037 0.000 1.288 151 Q HN 0.748 nan 8.270 nan 0.000 0.484 152 G N 0.778 109.577 108.800 -0.000 0.000 2.349 152 G HA2 0.306 4.266 3.960 0.000 0.000 0.294 152 G HA3 0.306 4.266 3.960 0.000 0.000 0.294 152 G C -3.113 171.856 174.900 0.115 0.000 1.380 152 G CA -0.917 44.194 45.100 0.019 0.000 0.811 152 G HN 0.356 nan 8.290 nan 0.000 0.519 153 P HA 0.494 nan 4.420 nan 0.000 0.274 153 P C -0.055 177.396 177.300 0.253 0.000 1.231 153 P CA -0.290 62.931 63.100 0.202 0.000 0.790 153 P CB 1.635 33.460 31.700 0.208 0.000 0.951 154 V N -0.095 119.960 119.914 0.234 0.000 3.130 154 V HA 0.679 4.799 4.120 0.000 0.000 0.310 154 V C -1.680 174.581 176.094 0.278 0.000 1.158 154 V CA -1.047 61.430 62.300 0.294 0.000 1.029 154 V CB 2.249 34.285 31.823 0.356 0.000 1.057 154 V HN 0.480 nan 8.190 nan 0.000 0.436 155 Y N 2.396 122.748 120.300 0.087 0.000 2.421 155 Y HA 0.838 5.388 4.550 0.000 0.000 0.339 155 Y C -1.372 174.500 175.900 -0.046 0.000 0.996 155 Y CA -1.184 56.915 58.100 -0.002 0.000 1.046 155 Y CB 2.087 40.520 38.460 -0.046 0.000 1.226 155 Y HN 0.933 nan 8.280 nan 0.000 0.445 156 L N 5.126 126.071 121.223 -0.463 0.000 2.406 156 L HA 0.629 4.969 4.340 0.000 0.000 0.272 156 L C -1.170 175.361 176.870 -0.564 0.000 0.980 156 L CA -0.196 54.430 54.840 -0.357 0.000 0.831 156 L CB 1.991 44.011 42.059 -0.066 0.000 1.253 156 L HN 0.566 nan 8.230 nan 0.000 0.406 157 S N 4.154 119.586 115.700 -0.448 0.000 2.437 157 S HA 0.826 5.296 4.470 0.000 0.000 0.305 157 S C -1.070 173.417 174.600 -0.188 0.000 1.109 157 S CA -0.454 57.552 58.200 -0.323 0.000 1.099 157 S CB 0.961 64.028 63.200 -0.222 0.000 1.004 157 S HN 0.457 nan 8.310 nan 0.000 0.475 158 V N 7.577 127.427 119.914 -0.108 0.000 2.443 158 V HA 0.422 4.542 4.120 0.000 0.000 0.293 158 V C -2.432 173.634 176.094 -0.046 0.000 1.021 158 V CA -2.059 60.171 62.300 -0.116 0.000 0.848 158 V CB 1.521 33.263 31.823 -0.135 0.000 0.998 158 V HN 0.727 nan 8.190 nan 0.000 0.424 159 P HA -0.016 nan 4.420 nan 0.000 0.264 159 P C 0.239 177.531 177.300 -0.015 0.000 1.183 159 P CA 0.141 63.194 63.100 -0.079 0.000 0.763 159 P CB 0.207 31.815 31.700 -0.152 0.000 0.807 160 Y N 2.765 123.130 120.300 0.109 0.000 2.421 160 Y HA -0.133 4.417 4.550 0.000 0.000 0.292 160 Y C 1.446 177.487 175.900 0.235 0.000 1.136 160 Y CA 1.247 59.508 58.100 0.270 0.000 1.255 160 Y CB -1.316 37.308 38.460 0.273 0.000 0.991 160 Y HN 0.276 nan 8.280 nan 0.000 0.552 161 D N -0.410 119.961 120.400 -0.048 0.000 2.371 161 D HA -0.150 4.490 4.640 0.000 0.000 0.221 161 D C 0.759 177.065 176.300 0.009 0.000 0.986 161 D CA 0.828 54.837 54.000 0.014 0.000 0.899 161 D CB -0.388 40.324 40.800 -0.147 0.000 0.902 161 D HN 0.365 nan 8.370 nan 0.000 0.530 162 D N 0.517 120.836 120.400 -0.136 0.000 2.178 162 D HA -0.106 4.534 4.640 0.000 0.000 0.202 162 D C 1.644 177.860 176.300 -0.140 0.000 0.974 162 D CA 0.652 54.507 54.000 -0.241 0.000 0.841 162 D CB -0.566 39.953 40.800 -0.469 0.000 0.953 162 D HN 0.435 nan 8.370 nan 0.000 0.478 163 W N 1.311 122.725 121.300 0.190 0.000 2.363 163 W HA -0.096 4.564 4.660 0.000 0.000 0.296 163 W C 1.620 178.269 176.519 0.218 0.000 1.212 163 W CA 0.417 57.916 57.345 0.257 0.000 1.260 163 W CB -0.067 29.617 29.460 0.373 0.000 1.131 163 W HN -0.112 nan 8.180 nan 0.000 0.530 164 D N -0.196 120.410 120.400 0.343 0.000 2.355 164 D HA -0.028 4.612 4.640 0.000 0.000 0.218 164 D C 0.868 177.258 176.300 0.150 0.000 1.004 164 D CA 0.713 54.846 54.000 0.221 0.000 0.880 164 D CB -0.167 40.737 40.800 0.173 0.000 0.911 164 D HN -0.072 nan 8.370 nan 0.000 0.528 165 K N 1.351 121.826 120.400 0.124 0.000 2.180 165 K HA 0.098 4.418 4.320 0.000 0.000 0.251 165 K C 0.049 176.705 176.600 0.093 0.000 1.014 165 K CA -0.388 55.946 56.287 0.079 0.000 0.913 165 K CB 0.409 32.931 32.500 0.037 0.000 1.008 165 K HN -0.089 nan 8.250 nan 0.000 0.490 166 D N 0.653 121.096 120.400 0.072 0.000 2.425 166 D HA 0.134 4.774 4.640 0.000 0.000 0.247 166 D C 0.055 176.401 176.300 0.077 0.000 1.147 166 D CA 0.230 54.276 54.000 0.076 0.000 0.879 166 D CB 0.613 41.448 40.800 0.058 0.000 1.179 166 D HN 0.457 nan 8.370 nan 0.000 0.456 167 A N 2.069 124.948 122.820 0.098 0.000 2.304 167 A HA 0.206 4.526 4.320 0.000 0.000 0.271 167 A C 0.219 177.849 177.584 0.075 0.000 1.091 167 A CA -0.565 51.530 52.037 0.097 0.000 0.812 167 A CB 0.453 19.535 19.000 0.137 0.000 1.056 167 A HN 0.478 nan 8.150 nan 0.000 0.489 168 D N 0.921 121.358 120.400 0.061 0.000 2.371 168 D HA 0.248 4.888 4.640 0.000 0.000 0.256 168 D C -1.632 174.701 176.300 0.055 0.000 1.193 168 D CA -1.630 52.397 54.000 0.045 0.000 0.881 168 D CB 0.995 41.809 40.800 0.023 0.000 1.143 168 D HN 0.093 nan 8.370 nan 0.000 0.473 169 P HA -0.138 nan 4.420 nan 0.000 0.219 169 P C 0.987 178.356 177.300 0.115 0.000 1.146 169 P CA 0.897 64.053 63.100 0.093 0.000 0.808 169 P CB 0.244 31.997 31.700 0.088 0.000 0.779 170 Q N -0.980 118.856 119.800 0.060 0.000 2.488 170 Q HA 0.025 4.365 4.340 0.000 0.000 0.211 170 Q C 1.748 177.672 176.000 -0.125 0.000 0.967 170 Q CA 0.751 56.555 55.803 0.002 0.000 0.926 170 Q CB -0.700 28.060 28.738 0.037 0.000 0.992 170 Q HN 0.272 nan 8.270 nan 0.000 0.506 171 S N 0.569 116.206 115.700 -0.106 0.000 2.537 171 S HA -0.118 4.352 4.470 0.000 0.000 0.240 171 S C 1.552 175.840 174.600 -0.520 0.000 0.981 171 S CA 0.626 58.715 58.200 -0.184 0.000 0.948 171 S CB -0.357 62.810 63.200 -0.055 0.000 0.759 171 S HN 0.603 nan 8.310 nan 0.000 0.531 172 H N 0.541 119.269 119.070 -0.571 0.000 2.456 172 H HA -0.056 4.500 4.556 0.000 0.000 0.296 172 H C 1.322 176.237 175.328 -0.687 0.000 1.079 172 H CA 1.334 56.790 56.048 -0.987 0.000 1.322 172 H CB -0.652 28.829 29.762 -0.469 0.000 1.388 172 H HN 0.523 nan 8.280 nan 0.000 0.538 173 H N 0.922 119.522 119.070 -0.783 0.000 2.518 173 H HA 0.006 4.562 4.556 0.000 0.000 0.289 173 H C 2.374 177.588 175.328 -0.191 0.000 1.051 173 H CA 0.880 56.681 56.048 -0.412 0.000 1.280 173 H CB 0.333 29.866 29.762 -0.382 0.000 1.380 173 H HN 0.404 nan 8.280 nan 0.000 0.566 174 L N -0.447 120.700 121.223 -0.126 0.000 2.217 174 L HA -0.108 4.232 4.340 0.000 0.000 0.211 174 L C 2.098 179.082 176.870 0.190 0.000 1.107 174 L CA 0.306 55.173 54.840 0.044 0.000 0.783 174 L CB -0.391 41.705 42.059 0.062 0.000 0.919 174 L HN 0.067 nan 8.230 nan 0.000 0.442 175 F N 0.536 120.562 119.950 0.127 0.000 2.095 175 F HA -0.218 4.309 4.527 0.000 0.000 0.298 175 F C 1.884 177.758 175.800 0.124 0.000 1.104 175 F CA 1.058 59.131 58.000 0.121 0.000 1.232 175 F CB -0.579 38.488 39.000 0.112 0.000 0.987 175 F HN 0.140 nan 8.300 nan 0.000 0.475 176 D N -0.470 120.118 120.400 0.313 0.000 2.424 176 D HA 0.066 4.706 4.640 0.000 0.000 0.220 176 D C 0.333 176.753 176.300 0.199 0.000 1.150 176 D CA -0.055 54.081 54.000 0.227 0.000 0.831 176 D CB 0.014 40.927 40.800 0.190 0.000 0.981 176 D HN 0.122 nan 8.370 nan 0.000 0.500 177 R N 1.087 121.707 120.500 0.200 0.000 2.538 177 R HA 0.034 4.374 4.340 0.000 0.000 0.282 177 R C 0.457 176.850 176.300 0.155 0.000 1.009 177 R CA 0.371 56.553 56.100 0.137 0.000 1.063 177 R CB 0.541 30.886 30.300 0.076 0.000 0.945 177 R HN 0.184 nan 8.270 nan 0.000 0.414 178 H N 2.933 122.007 119.070 0.006 0.000 2.481 178 H HA 0.303 4.859 4.556 0.000 0.000 0.333 178 H C -1.349 173.930 175.328 -0.081 0.000 1.066 178 H CA -0.629 55.421 56.048 0.002 0.000 1.209 178 H CB 1.181 30.954 29.762 0.018 0.000 1.445 178 H HN 0.210 nan 8.280 nan 0.000 0.488 179 V N 4.617 124.254 119.914 -0.461 0.000 2.407 179 V HA 0.180 4.300 4.120 0.000 0.000 0.291 179 V C 0.116 176.001 176.094 -0.349 0.000 1.018 179 V CA -0.619 61.468 62.300 -0.356 0.000 0.842 179 V CB 1.424 32.986 31.823 -0.436 0.000 0.996 179 V HN 0.751 nan 8.190 nan 0.000 0.426 180 S N 2.846 118.438 115.700 -0.180 0.000 2.472 180 S HA 0.564 5.034 4.470 0.000 0.000 0.303 180 S C 0.543 175.108 174.600 -0.060 0.000 1.099 180 S CA -0.048 58.095 58.200 -0.095 0.000 1.077 180 S CB 1.566 64.792 63.200 0.044 0.000 1.031 180 S HN 0.931 nan 8.310 nan 0.000 0.487 181 S N 2.350 118.019 115.700 -0.052 0.000 2.741 181 S HA 0.209 4.679 4.470 0.000 0.000 0.247 181 S C 0.176 174.758 174.600 -0.030 0.000 1.050 181 S CA -0.470 57.703 58.200 -0.044 0.000 1.025 181 S CB 0.345 63.511 63.200 -0.056 0.000 0.897 181 S HN 0.487 nan 8.310 nan 0.000 0.508 182 S N 2.700 118.392 115.700 -0.012 0.000 4.087 182 S HA 0.453 4.923 4.470 0.000 0.000 0.213 182 S C 0.167 174.765 174.600 -0.003 0.000 1.415 182 S CA -0.414 57.784 58.200 -0.003 0.000 0.893 182 S CB -1.046 62.164 63.200 0.017 0.000 1.529 182 S HN 0.647 nan 8.310 nan 0.000 0.457 183 V N 2.648 122.554 119.914 -0.013 0.000 2.864 183 V HA 0.995 5.115 4.120 0.000 0.000 0.314 183 V C -0.692 175.394 176.094 -0.014 0.000 1.073 183 V CA -1.320 60.972 62.300 -0.013 0.000 0.956 183 V CB 1.875 33.687 31.823 -0.018 0.000 1.023 183 V HN 0.713 nan 8.190 nan 0.000 0.435 184 R N 2.394 122.888 120.500 -0.011 0.000 2.817 184 R HA 0.766 5.106 4.340 0.000 0.000 0.268 184 R C -1.015 175.278 176.300 -0.011 0.000 1.027 184 R CA -1.026 55.067 56.100 -0.011 0.000 0.928 184 R CB 0.631 30.926 30.300 -0.007 0.000 1.228 184 R HN 0.821 nan 8.270 nan 0.000 0.469 185 L N 2.037 123.253 121.223 -0.011 0.000 2.525 185 L HA 0.161 4.501 4.340 0.000 0.000 0.278 185 L C -0.398 176.467 176.870 -0.008 0.000 1.218 185 L CA 0.504 55.337 54.840 -0.011 0.000 0.878 185 L CB -0.110 41.943 42.059 -0.011 0.000 1.127 185 L HN 0.919 nan 8.230 nan 0.000 0.492 186 N N 1.916 120.611 118.700 -0.008 0.000 2.374 186 N HA -0.066 4.674 4.740 0.000 0.000 0.241 186 N C 0.413 175.920 175.510 -0.005 0.000 1.262 186 N CA 0.126 53.172 53.050 -0.007 0.000 0.880 186 N CB 0.254 38.737 38.487 -0.007 0.000 1.105 186 N HN 0.598 nan 8.380 nan 0.000 0.438 187 D N -0.043 120.355 120.400 -0.004 0.000 2.133 187 D HA -0.254 4.386 4.640 0.000 0.000 0.195 187 D C 1.578 177.876 176.300 -0.003 0.000 0.997 187 D CA 1.461 55.460 54.000 -0.003 0.000 0.840 187 D CB -0.304 40.494 40.800 -0.002 0.000 0.947 187 D HN 0.846 nan 8.370 nan 0.000 0.452 188 Q N 0.353 120.151 119.800 -0.003 0.000 2.050 188 Q HA -0.158 4.182 4.340 0.000 0.000 0.202 188 Q C 1.200 177.198 176.000 -0.003 0.000 0.980 188 Q CA 1.554 57.355 55.803 -0.003 0.000 0.840 188 Q CB 0.168 28.904 28.738 -0.003 0.000 0.898 188 Q HN 0.104 nan 8.270 nan 0.000 0.424 189 D N 0.277 120.674 120.400 -0.004 0.000 2.183 189 D HA -0.111 4.529 4.640 0.000 0.000 0.203 189 D C 1.858 178.156 176.300 -0.005 0.000 0.969 189 D CA 0.446 54.443 54.000 -0.005 0.000 0.842 189 D CB -0.081 40.714 40.800 -0.007 0.000 0.957 189 D HN 0.238 nan 8.370 nan 0.000 0.484 190 L N 1.302 122.522 121.223 -0.004 0.000 2.046 190 L HA -0.142 4.198 4.340 0.000 0.000 0.208 190 L C 1.334 178.204 176.870 -0.001 0.000 1.077 190 L CA 1.810 56.648 54.840 -0.003 0.000 0.747 190 L CB -0.448 41.609 42.059 -0.003 0.000 0.896 190 L HN -0.195 nan 8.230 nan 0.000 0.432 191 D N -0.407 119.992 120.400 -0.001 0.000 2.144 191 D HA -0.167 4.473 4.640 0.000 0.000 0.199 191 D C 2.320 178.621 176.300 0.001 0.000 0.984 191 D CA 1.645 55.645 54.000 0.001 0.000 0.834 191 D CB -0.110 40.690 40.800 0.000 0.000 0.955 191 D HN 0.425 nan 8.370 nan 0.000 0.465 192 I N 0.309 120.879 120.570 -0.001 0.000 2.179 192 I HA -0.246 3.924 4.170 0.000 0.000 0.242 192 I C 2.321 178.438 176.117 -0.000 0.000 1.088 192 I CA 0.530 61.829 61.300 -0.000 0.000 1.357 192 I CB -0.174 37.825 38.000 -0.002 0.000 1.051 192 I HN 0.030 nan 8.210 nan 0.000 0.409 193 L N 0.561 121.783 121.223 -0.001 0.000 2.012 193 L HA -0.167 4.173 4.340 0.000 0.000 0.210 193 L C 2.420 179.291 176.870 0.002 0.000 1.073 193 L CA 1.835 56.675 54.840 -0.001 0.000 0.748 193 L CB -0.597 41.460 42.059 -0.003 0.000 0.891 193 L HN -0.015 nan 8.230 nan 0.000 0.431 194 V N 0.459 120.374 119.914 0.003 0.000 2.332 194 V HA -0.329 3.791 4.120 0.000 0.000 0.248 194 V C 2.726 178.824 176.094 0.007 0.000 1.055 194 V CA 2.183 64.487 62.300 0.006 0.000 1.038 194 V CB -0.884 30.942 31.823 0.005 0.000 0.651 194 V HN 0.601 nan 8.190 nan 0.000 0.450 195 K N 0.534 120.937 120.400 0.006 0.000 2.063 195 K HA -0.212 4.108 4.320 0.000 0.000 0.208 195 K C 2.125 178.730 176.600 0.008 0.000 1.048 195 K CA 1.831 58.122 56.287 0.006 0.000 0.928 195 K CB -0.301 32.202 32.500 0.005 0.000 0.713 195 K HN 0.424 nan 8.250 nan 0.000 0.442 196 A N 1.557 124.381 122.820 0.007 0.000 1.898 196 A HA -0.082 4.238 4.320 0.000 0.000 0.216 196 A C 2.221 179.812 177.584 0.011 0.000 1.181 196 A CA 1.153 53.195 52.037 0.008 0.000 0.620 196 A CB -0.476 18.527 19.000 0.006 0.000 0.819 196 A HN 0.323 nan 8.150 nan 0.000 0.442 197 L N -0.384 120.845 121.223 0.011 0.000 2.056 197 L HA -0.172 4.168 4.340 0.000 0.000 0.207 197 L C 2.203 179.083 176.870 0.017 0.000 1.078 197 L CA 1.154 56.002 54.840 0.014 0.000 0.749 197 L CB -0.648 41.418 42.059 0.012 0.000 0.901 197 L HN 0.329 nan 8.230 nan 0.000 0.433 198 N N -0.385 118.324 118.700 0.015 0.000 2.223 198 N HA -0.124 4.616 4.740 0.000 0.000 0.185 198 N C 1.897 177.417 175.510 0.016 0.000 1.016 198 N CA 1.296 54.356 53.050 0.016 0.000 0.863 198 N CB -0.127 38.368 38.487 0.013 0.000 0.983 198 N HN 0.169 nan 8.380 nan 0.000 0.429 199 S N 0.032 115.741 115.700 0.015 0.000 2.528 199 S HA 0.231 4.701 4.470 0.000 0.000 0.219 199 S C 0.832 175.444 174.600 0.019 0.000 0.985 199 S CA -0.246 57.963 58.200 0.015 0.000 0.914 199 S CB 0.098 63.305 63.200 0.012 0.000 0.776 199 S HN 0.418 nan 8.310 nan 0.000 0.526 200 A N 1.983 124.817 122.820 0.023 0.000 2.511 200 A HA 0.329 4.649 4.320 0.000 0.000 0.242 200 A C 1.386 178.991 177.584 0.034 0.000 1.069 200 A CA 0.121 52.177 52.037 0.030 0.000 0.763 200 A CB 0.192 19.215 19.000 0.037 0.000 1.001 200 A HN 0.402 nan 8.150 nan 0.000 0.498 201 S N 1.125 116.846 115.700 0.034 0.000 2.446 201 S HA 0.006 4.476 4.470 0.000 0.000 0.225 201 S C 0.669 175.296 174.600 0.046 0.000 1.016 201 S CA 0.916 59.135 58.200 0.031 0.000 0.943 201 S CB -0.109 63.103 63.200 0.020 0.000 0.786 201 S HN 0.781 nan 8.310 nan 0.000 0.508 202 N N 1.902 120.645 118.700 0.072 0.000 2.673 202 N HA 0.370 5.110 4.740 0.000 0.000 0.265 202 N C -3.267 172.390 175.510 0.244 0.000 1.709 202 N CA -1.677 51.448 53.050 0.125 0.000 0.792 202 N CB 1.314 39.833 38.487 0.053 0.000 1.286 202 N HN 0.148 nan 8.380 nan 0.000 0.506 203 P HA 0.338 nan 4.420 nan 0.000 0.272 203 P C -0.958 176.346 177.300 0.007 0.000 1.223 203 P CA -0.302 62.853 63.100 0.091 0.000 0.784 203 P CB 1.469 33.195 31.700 0.043 0.000 0.923 204 A N 2.500 125.229 122.820 -0.152 0.000 2.454 204 A HA 0.775 5.095 4.320 0.000 0.000 0.302 204 A C -0.724 176.780 177.584 -0.135 0.000 1.079 204 A CA -0.857 51.000 52.037 -0.301 0.000 0.731 204 A CB 1.081 19.666 19.000 -0.692 0.000 1.299 204 A HN 0.447 nan 8.150 nan 0.000 0.413 205 I N 1.054 121.560 120.570 -0.108 0.000 2.509 205 I HA 0.512 4.682 4.170 0.000 0.000 0.293 205 I C -0.978 175.106 176.117 -0.056 0.000 1.020 205 I CA -0.941 60.312 61.300 -0.078 0.000 1.088 205 I CB 2.183 40.121 38.000 -0.103 0.000 1.267 205 I HN 0.308 nan 8.210 nan 0.000 0.430 206 V N 6.909 126.811 119.914 -0.020 0.000 2.487 206 V HA 0.502 4.622 4.120 0.000 0.000 0.298 206 V C -0.268 175.831 176.094 0.008 0.000 1.028 206 V CA -0.529 61.773 62.300 0.004 0.000 0.860 206 V CB 1.923 33.778 31.823 0.053 0.000 0.991 206 V HN 0.461 nan 8.190 nan 0.000 0.427 207 L N 3.862 125.080 121.223 -0.008 0.000 2.346 207 L HA 0.907 5.247 4.340 0.000 0.000 0.274 207 L C 0.665 177.560 176.870 0.041 0.000 1.007 207 L CA -0.310 54.544 54.840 0.023 0.000 0.818 207 L CB 2.035 44.116 42.059 0.036 0.000 1.284 207 L HN 0.764 nan 8.230 nan 0.000 0.424 208 G N 0.829 109.663 108.800 0.058 0.000 3.075 208 G HA2 0.537 4.497 3.960 0.000 0.000 0.253 208 G HA3 0.537 4.497 3.960 0.000 0.000 0.253 208 G C -2.221 172.731 174.900 0.086 0.000 1.353 208 G CA -0.842 44.298 45.100 0.066 0.000 1.051 208 G HN 0.404 nan 8.290 nan 0.000 0.553 209 P HA -0.004 nan 4.420 nan 0.000 0.221 209 P C 0.513 177.875 177.300 0.105 0.000 1.150 209 P CA 0.858 64.024 63.100 0.109 0.000 0.800 209 P CB 0.351 32.114 31.700 0.105 0.000 0.787 210 D N -0.217 120.244 120.400 0.101 0.000 2.310 210 D HA -0.061 4.579 4.640 0.000 0.000 0.212 210 D C 2.017 178.355 176.300 0.064 0.000 0.965 210 D CA 0.571 54.625 54.000 0.090 0.000 0.879 210 D CB -0.266 40.584 40.800 0.084 0.000 0.921 210 D HN 0.051 nan 8.370 nan 0.000 0.510 211 V N 1.157 121.112 119.914 0.069 0.000 2.261 211 V HA -0.250 3.870 4.120 0.000 0.000 0.246 211 V C 2.217 178.351 176.094 0.066 0.000 1.047 211 V CA 1.925 64.265 62.300 0.066 0.000 1.015 211 V CB -0.394 31.479 31.823 0.083 0.000 0.642 211 V HN 0.077 nan 8.190 nan 0.000 0.446 212 D N -0.019 120.427 120.400 0.078 0.000 2.144 212 D HA -0.124 4.516 4.640 0.000 0.000 0.199 212 D C 2.104 178.446 176.300 0.070 0.000 0.984 212 D CA 1.394 55.435 54.000 0.068 0.000 0.834 212 D CB -0.162 40.675 40.800 0.062 0.000 0.955 212 D HN 0.365 nan 8.370 nan 0.000 0.465 213 A N 0.345 123.215 122.820 0.083 0.000 1.940 213 A HA -0.003 4.317 4.320 0.000 0.000 0.219 213 A C 2.261 179.875 177.584 0.050 0.000 1.176 213 A CA 2.015 54.100 52.037 0.080 0.000 0.631 213 A CB -0.872 18.179 19.000 0.085 0.000 0.814 213 A HN 0.309 nan 8.150 nan 0.000 0.446 214 A N -1.344 121.500 122.820 0.040 0.000 2.208 214 A HA 0.159 4.479 4.320 0.000 0.000 0.209 214 A C 1.030 178.628 177.584 0.023 0.000 1.161 214 A CA 0.899 52.950 52.037 0.025 0.000 0.782 214 A CB -0.507 18.504 19.000 0.018 0.000 0.816 214 A HN 0.656 nan 8.150 nan 0.000 0.477 215 N N -2.139 116.578 118.700 0.028 0.000 2.727 215 N HA -0.227 4.513 4.740 0.000 0.000 0.249 215 N C 0.527 176.046 175.510 0.015 0.000 1.048 215 N CA 0.974 54.036 53.050 0.019 0.000 0.714 215 N CB -1.404 37.091 38.487 0.013 0.000 0.959 215 N HN 0.582 nan 8.380 nan 0.000 0.544 216 A N -0.746 122.088 122.820 0.023 0.000 2.251 216 A HA 0.123 4.443 4.320 0.000 0.000 0.209 216 A C 1.731 179.332 177.584 0.028 0.000 1.187 216 A CA 0.666 52.718 52.037 0.025 0.000 0.823 216 A CB -0.067 18.951 19.000 0.031 0.000 0.846 216 A HN 0.518 nan 8.150 nan 0.000 0.486 217 N N 1.688 120.400 118.700 0.020 0.000 2.069 217 N HA -0.173 4.567 4.740 0.000 0.000 0.191 217 N C 1.785 177.264 175.510 -0.051 0.000 1.031 217 N CA 1.926 54.980 53.050 0.007 0.000 0.852 217 N CB -0.471 38.002 38.487 -0.025 0.000 1.018 217 N HN 0.448 nan 8.380 nan 0.000 0.423 218 A N 0.802 123.586 122.820 -0.060 0.000 1.930 218 A HA -0.124 4.196 4.320 0.000 0.000 0.217 218 A C 1.643 179.200 177.584 -0.044 0.000 1.175 218 A CA 1.492 53.481 52.037 -0.080 0.000 0.627 218 A CB -0.403 18.563 19.000 -0.056 0.000 0.815 218 A HN 0.132 nan 8.150 nan 0.000 0.443 219 D N -0.405 119.988 120.400 -0.011 0.000 2.144 219 D HA -0.115 4.525 4.640 0.000 0.000 0.199 219 D C 1.966 178.285 176.300 0.031 0.000 0.984 219 D CA 1.307 55.312 54.000 0.009 0.000 0.834 219 D CB -0.480 40.328 40.800 0.014 0.000 0.955 219 D HN 0.447 nan 8.370 nan 0.000 0.465 220 C N 0.271 119.607 119.300 0.060 0.000 2.435 220 C HA -0.046 4.414 4.460 0.000 0.000 0.279 220 C C 2.920 178.034 174.990 0.207 0.000 1.321 220 C CA 0.002 59.102 59.018 0.137 0.000 1.752 220 C CB -0.744 27.120 27.740 0.207 0.000 1.959 220 C HN 0.164 nan 8.230 nan 0.000 0.500 221 V N 0.909 120.846 119.914 0.039 0.000 2.287 221 V HA -0.301 3.819 4.120 0.000 0.000 0.248 221 V C 2.463 178.553 176.094 -0.006 0.000 1.053 221 V CA 2.465 64.676 62.300 -0.150 0.000 1.027 221 V CB -0.657 30.912 31.823 -0.424 0.000 0.646 221 V HN 0.548 nan 8.190 nan 0.000 0.447 222 M N -0.168 119.436 119.600 0.006 0.000 2.086 222 M HA -0.153 4.327 4.480 0.000 0.000 0.261 222 M C 1.881 178.212 176.300 0.051 0.000 1.067 222 M CA 1.935 57.254 55.300 0.031 0.000 1.116 222 M CB -0.680 31.931 32.600 0.018 0.000 1.348 222 M HN 0.271 nan 8.290 nan 0.000 0.407 223 L N 0.524 121.780 121.223 0.055 0.000 2.012 223 L HA -0.066 4.274 4.340 0.000 0.000 0.210 223 L C 2.363 179.271 176.870 0.063 0.000 1.073 223 L CA 2.403 57.275 54.840 0.053 0.000 0.748 223 L CB -1.345 40.743 42.059 0.049 0.000 0.891 223 L HN 0.383 nan 8.230 nan 0.000 0.431 224 A N -1.054 121.822 122.820 0.093 0.000 1.933 224 A HA -0.212 4.108 4.320 0.000 0.000 0.218 224 A C 2.160 179.815 177.584 0.118 0.000 1.175 224 A CA 1.756 53.850 52.037 0.094 0.000 0.628 224 A CB -0.596 18.486 19.000 0.136 0.000 0.814 224 A HN 0.627 nan 8.150 nan 0.000 0.444 225 E N -0.674 119.608 120.200 0.137 0.000 2.072 225 E HA -0.142 4.208 4.350 0.000 0.000 0.191 225 E C 2.352 179.005 176.600 0.087 0.000 0.985 225 E CA 0.743 57.226 56.400 0.140 0.000 0.801 225 E CB -0.129 29.659 29.700 0.147 0.000 0.750 225 E HN 0.371 nan 8.360 nan 0.000 0.452 226 R N 0.486 121.026 120.500 0.067 0.000 2.073 226 R HA -0.070 4.270 4.340 0.000 0.000 0.234 226 R C 2.323 178.650 176.300 0.045 0.000 1.134 226 R CA 0.913 57.042 56.100 0.048 0.000 0.952 226 R CB -0.460 29.863 30.300 0.038 0.000 0.850 226 R HN 0.258 nan 8.270 nan 0.000 0.433 227 L N 1.091 122.342 121.223 0.046 0.000 2.552 227 L HA 0.010 4.350 4.340 0.000 0.000 0.227 227 L C 0.180 177.078 176.870 0.046 0.000 1.146 227 L CA 0.248 55.113 54.840 0.040 0.000 0.858 227 L CB -0.085 41.994 42.059 0.032 0.000 0.969 227 L HN 0.066 nan 8.230 nan 0.000 0.451 228 K N -0.288 120.146 120.400 0.058 0.000 3.150 228 K HA -0.166 4.154 4.320 0.000 0.000 0.267 228 K C -0.095 176.540 176.600 0.059 0.000 1.028 228 K CA 0.869 57.194 56.287 0.063 0.000 0.753 228 K CB -2.032 30.499 32.500 0.052 0.000 1.288 228 K HN 0.326 nan 8.250 nan 0.000 0.473 229 A N 1.107 123.956 122.820 0.049 0.000 2.330 229 A HA 0.681 5.001 4.320 0.000 0.000 0.327 229 A C -2.140 175.433 177.584 -0.019 0.000 1.155 229 A CA -1.504 50.545 52.037 0.020 0.000 0.803 229 A CB 1.140 20.134 19.000 -0.008 0.000 1.208 229 A HN -0.021 nan 8.150 nan 0.000 0.477 230 P HA 0.276 nan 4.420 nan 0.000 0.269 230 P C -0.716 176.441 177.300 -0.239 0.000 1.215 230 P CA 0.045 63.061 63.100 -0.140 0.000 0.780 230 P CB 0.961 32.612 31.700 -0.081 0.000 0.898 231 V N 2.882 122.535 119.914 -0.435 0.000 2.483 231 V HA 0.325 4.445 4.120 0.000 0.000 0.297 231 V C -0.557 175.109 176.094 -0.714 0.000 1.027 231 V CA -0.306 61.670 62.300 -0.539 0.000 0.855 231 V CB 1.251 32.508 31.823 -0.943 0.000 0.995 231 V HN 0.583 nan 8.190 nan 0.000 0.424 232 W N 2.795 123.821 121.300 -0.458 0.000 2.639 232 W HA 0.725 5.385 4.660 0.000 0.000 0.347 232 W C -0.393 175.888 176.519 -0.397 0.000 1.067 232 W CA -0.788 56.263 57.345 -0.491 0.000 1.218 232 W CB 1.801 31.015 29.460 -0.410 0.000 1.393 232 W HN 0.307 nan 8.180 nan 0.000 0.557 233 V N 3.181 122.981 119.914 -0.190 0.000 2.439 233 V HA 0.540 4.660 4.120 0.000 0.000 0.282 233 V C 0.595 176.561 176.094 -0.214 0.000 1.039 233 V CA -1.224 60.962 62.300 -0.189 0.000 0.913 233 V CB 0.371 31.989 31.823 -0.341 0.000 0.983 233 V HN 0.673 nan 8.190 nan 0.000 0.460 234 A N 8.297 131.036 122.820 -0.135 0.000 2.507 234 A HA 0.433 4.753 4.320 0.000 0.000 0.235 234 A C -1.832 175.632 177.584 -0.200 0.000 1.070 234 A CA -0.716 51.232 52.037 -0.147 0.000 0.768 234 A CB -0.373 18.639 19.000 0.019 0.000 1.011 234 A HN 0.705 nan 8.150 nan 0.000 0.502 235 P HA 0.126 nan 4.420 nan 0.000 0.272 235 P C -0.070 177.159 177.300 -0.118 0.000 1.230 235 P CA 0.444 63.419 63.100 -0.208 0.000 0.788 235 P CB 0.569 32.147 31.700 -0.203 0.000 0.949 236 S N -2.159 113.473 115.700 -0.114 0.000 3.698 236 S HA -0.166 4.304 4.470 0.000 0.000 0.338 236 S C 0.607 175.229 174.600 0.037 0.000 1.089 236 S CA 0.699 58.873 58.200 -0.042 0.000 0.991 236 S CB -2.306 60.907 63.200 0.023 0.000 0.909 236 S HN 0.950 nan 8.310 nan 0.000 0.485 237 A N 0.846 123.662 122.820 -0.007 0.000 2.537 237 A HA 0.423 4.743 4.320 0.000 0.000 0.260 237 A C -0.602 177.221 177.584 0.398 0.000 1.082 237 A CA -0.693 51.434 52.037 0.149 0.000 0.765 237 A CB 0.122 19.175 19.000 0.089 0.000 1.019 237 A HN 0.277 nan 8.150 nan 0.000 0.507 238 P HA 0.050 nan 4.420 nan 0.000 0.231 238 P C 0.246 177.759 177.300 0.356 0.000 1.168 238 P CA 0.890 64.200 63.100 0.350 0.000 0.779 238 P CB 0.336 32.124 31.700 0.146 0.000 0.844 239 R N -2.609 118.109 120.500 0.363 0.000 2.817 239 R HA 0.551 4.891 4.340 0.000 0.000 0.268 239 R C -1.402 175.119 176.300 0.368 0.000 1.027 239 R CA -0.804 55.447 56.100 0.252 0.000 0.928 239 R CB 1.239 31.590 30.300 0.085 0.000 1.228 239 R HN -0.141 nan 8.270 nan 0.000 0.469 240 C N 2.936 122.369 119.300 0.222 0.000 2.264 240 C HA 0.515 4.975 4.460 0.000 0.000 0.324 240 C C -1.679 173.412 174.990 0.169 0.000 1.267 240 C CA -1.916 57.253 59.018 0.252 0.000 1.618 240 C CB 0.685 28.437 27.740 0.020 0.000 2.278 240 C HN 0.622 nan 8.230 nan 0.000 0.499 241 P HA 0.216 nan 4.420 nan 0.000 0.268 241 P C -0.310 177.149 177.300 0.264 0.000 1.329 241 P CA 0.270 63.485 63.100 0.192 0.000 0.899 241 P CB 0.104 31.914 31.700 0.183 0.000 1.378 242 F N 1.027 120.986 119.950 0.016 0.000 2.665 242 F HA 0.467 4.994 4.527 0.000 0.000 0.308 242 F C -2.753 172.925 175.800 -0.204 0.000 1.112 242 F CA -2.336 55.632 58.000 -0.053 0.000 0.972 242 F CB 1.812 40.847 39.000 0.058 0.000 1.295 242 F HN -0.361 nan 8.300 nan 0.000 0.440 243 P HA 0.127 nan 4.420 nan 0.000 0.267 243 P C 0.395 177.460 177.300 -0.391 0.000 1.209 243 P CA 0.130 63.033 63.100 -0.329 0.000 0.763 243 P CB 0.665 32.181 31.700 -0.305 0.000 0.816 244 T N 0.232 114.477 114.554 -0.515 0.000 3.118 244 T HA 0.038 4.388 4.350 0.000 0.000 0.260 244 T C 1.036 175.549 174.700 -0.311 0.000 1.139 244 T CA 0.515 62.086 62.100 -0.881 0.000 1.085 244 T CB -0.257 68.254 68.868 -0.595 0.000 0.934 244 T HN 0.156 nan 8.240 nan 0.000 0.518 245 R N 0.556 120.976 120.500 -0.133 0.000 2.543 245 R HA 0.229 4.569 4.340 0.000 0.000 0.323 245 R C 0.224 176.550 176.300 0.043 0.000 1.002 245 R CA -0.370 55.726 56.100 -0.008 0.000 1.106 245 R CB -0.416 29.866 30.300 -0.030 0.000 1.280 245 R HN 0.586 nan 8.270 nan 0.000 0.549 246 H N 2.286 121.353 119.070 -0.005 0.000 2.790 246 H HA 0.056 4.612 4.556 0.000 0.000 0.358 246 H C -1.520 173.893 175.328 0.141 0.000 1.103 246 H CA -1.133 54.948 56.048 0.054 0.000 1.426 246 H CB 1.699 31.485 29.762 0.039 0.000 1.424 246 H HN -0.187 nan 8.280 nan 0.000 0.599 247 P HA -0.119 nan 4.420 nan 0.000 0.218 247 P C 1.360 178.749 177.300 0.149 0.000 1.148 247 P CA 1.118 64.203 63.100 -0.025 0.000 0.822 247 P CB 0.035 31.654 31.700 -0.135 0.000 0.784 248 C N -2.803 116.729 119.300 0.386 0.000 2.481 248 C HA 0.104 4.564 4.460 0.000 0.000 0.275 248 C C 1.317 176.363 174.990 0.094 0.000 1.419 248 C CA -0.608 58.564 59.018 0.256 0.000 1.773 248 C CB -1.914 26.012 27.740 0.309 0.000 1.862 248 C HN 0.114 nan 8.230 nan 0.000 0.530 249 F N 2.036 122.038 119.950 0.087 0.000 2.538 249 F HA 0.206 4.733 4.527 0.000 0.000 0.371 249 F C 1.303 176.904 175.800 -0.332 0.000 1.087 249 F CA 0.339 58.262 58.000 -0.128 0.000 1.250 249 F CB 0.467 39.535 39.000 0.114 0.000 1.110 249 F HN -0.023 nan 8.300 nan 0.000 0.570 250 R N 3.692 123.398 120.500 -1.323 0.000 2.509 250 R HA 0.328 4.668 4.340 0.000 0.000 0.297 250 R C 0.589 175.898 176.300 -1.652 0.000 0.951 250 R CA 0.368 55.562 56.100 -1.510 0.000 1.103 250 R CB 0.116 29.109 30.300 -2.179 0.000 1.283 250 R HN 0.982 nan 8.270 nan 0.000 0.534 251 G N 1.369 109.007 108.800 -1.936 0.000 2.582 251 G HA2 -0.247 3.713 3.960 0.000 0.000 0.222 251 G HA3 -0.247 3.713 3.960 0.000 0.000 0.222 251 G C -1.153 173.354 174.900 -0.655 0.000 1.311 251 G CA -0.551 43.920 45.100 -1.047 0.000 0.915 251 G HN 0.137 nan 8.290 nan 0.000 0.528 252 L N 0.780 121.699 121.223 -0.506 0.000 2.319 252 L HA 0.717 5.057 4.340 0.000 0.000 0.280 252 L C 1.079 177.809 176.870 -0.233 0.000 1.099 252 L CA -0.152 54.325 54.840 -0.604 0.000 0.828 252 L CB 0.602 42.077 42.059 -0.972 0.000 1.150 252 L HN 0.617 nan 8.230 nan 0.000 0.442 253 M N 7.554 127.017 119.600 -0.227 0.000 2.238 253 M HA 0.266 4.746 4.480 0.000 0.000 0.347 253 M C -1.938 174.194 176.300 -0.280 0.000 1.173 253 M CA -1.481 53.638 55.300 -0.301 0.000 1.147 253 M CB 0.395 32.714 32.600 -0.469 0.000 1.547 253 M HN 0.500 nan 8.290 nan 0.000 0.455 254 P HA 0.086 nan 4.420 nan 0.000 0.271 254 P C -0.917 176.305 177.300 -0.130 0.000 1.216 254 P CA -0.201 62.800 63.100 -0.166 0.000 0.776 254 P CB 0.528 32.145 31.700 -0.139 0.000 0.881 255 A N 2.642 125.433 122.820 -0.049 0.000 3.117 255 A HA 0.516 4.836 4.320 0.000 0.000 0.255 255 A C 0.793 178.492 177.584 0.191 0.000 1.583 255 A CA -0.052 52.024 52.037 0.064 0.000 1.234 255 A CB -1.160 17.902 19.000 0.102 0.000 1.076 255 A HN 0.648 nan 8.150 nan 0.000 0.653 256 G N -0.909 107.984 108.800 0.155 0.000 2.620 256 G HA2 0.490 4.450 3.960 0.000 0.000 0.301 256 G HA3 0.490 4.450 3.960 0.000 0.000 0.301 256 G C 0.573 175.456 174.900 -0.027 0.000 1.347 256 G CA -0.631 44.499 45.100 0.051 0.000 0.971 256 G HN 0.129 nan 8.290 nan 0.000 0.488 257 I N 1.376 121.705 120.570 -0.401 0.000 2.099 257 I HA -0.229 3.941 4.170 0.000 0.000 0.239 257 I C 3.072 179.079 176.117 -0.182 0.000 1.066 257 I CA 1.927 62.964 61.300 -0.439 0.000 1.324 257 I CB -0.080 37.529 38.000 -0.652 0.000 1.037 257 I HN 0.557 nan 8.210 nan 0.000 0.401 258 A N 0.506 123.196 122.820 -0.218 0.000 1.933 258 A HA -0.132 4.188 4.320 0.000 0.000 0.218 258 A C 2.510 180.021 177.584 -0.122 0.000 1.175 258 A CA 1.755 53.694 52.037 -0.163 0.000 0.628 258 A CB -0.859 18.038 19.000 -0.173 0.000 0.814 258 A HN 0.457 nan 8.150 nan 0.000 0.444 259 A N -0.051 122.697 122.820 -0.119 0.000 1.902 259 A HA -0.097 4.223 4.320 0.000 0.000 0.217 259 A C 2.125 179.608 177.584 -0.168 0.000 1.181 259 A CA 1.588 53.551 52.037 -0.125 0.000 0.623 259 A CB -0.562 18.371 19.000 -0.112 0.000 0.818 259 A HN 0.501 nan 8.150 nan 0.000 0.443 260 I N 0.520 120.998 120.570 -0.152 0.000 2.286 260 I HA -0.216 3.954 4.170 0.000 0.000 0.245 260 I C 2.846 178.866 176.117 -0.161 0.000 1.104 260 I CA 1.485 62.644 61.300 -0.234 0.000 1.397 260 I CB -0.234 37.622 38.000 -0.240 0.000 1.072 260 I HN 0.508 nan 8.210 nan 0.000 0.417 261 S N 0.179 115.842 115.700 -0.063 0.000 2.402 261 S HA -0.254 4.216 4.470 0.000 0.000 0.229 261 S C 1.916 176.475 174.600 -0.069 0.000 1.021 261 S CA 1.054 59.234 58.200 -0.032 0.000 0.974 261 S CB -0.365 62.831 63.200 -0.005 0.000 0.800 261 S HN 0.355 nan 8.310 nan 0.000 0.484 262 Q N 1.092 120.834 119.800 -0.096 0.000 2.079 262 Q HA 0.099 4.439 4.340 0.000 0.000 0.200 262 Q C 1.992 177.924 176.000 -0.113 0.000 0.974 262 Q CA 1.163 56.911 55.803 -0.092 0.000 0.840 262 Q CB -0.786 27.898 28.738 -0.091 0.000 0.898 262 Q HN 0.505 nan 8.270 nan 0.000 0.430 263 L N -0.335 120.776 121.223 -0.188 0.000 2.079 263 L HA -0.068 4.272 4.340 0.000 0.000 0.210 263 L C 1.723 178.492 176.870 -0.168 0.000 1.081 263 L CA 1.658 56.337 54.840 -0.269 0.000 0.752 263 L CB -0.290 41.433 42.059 -0.560 0.000 0.896 263 L HN 0.343 nan 8.230 nan 0.000 0.433 264 L N -0.857 120.286 121.223 -0.132 0.000 2.558 264 L HA 0.037 4.377 4.340 0.000 0.000 0.225 264 L C 0.941 177.858 176.870 0.078 0.000 1.128 264 L CA -0.182 54.672 54.840 0.025 0.000 0.868 264 L CB -0.432 41.609 42.059 -0.030 0.000 1.006 264 L HN 0.269 nan 8.230 nan 0.000 0.454 265 E N 0.613 120.809 120.200 -0.007 0.000 2.465 265 E HA 0.097 4.447 4.350 0.000 0.000 0.260 265 E C 1.162 177.713 176.600 -0.082 0.000 0.980 265 E CA 0.856 57.238 56.400 -0.030 0.000 0.927 265 E CB 0.394 30.068 29.700 -0.044 0.000 0.934 265 E HN 0.306 nan 8.360 nan 0.000 0.459 266 G N 4.130 112.883 108.800 -0.078 0.000 2.241 266 G HA2 -0.236 3.724 3.960 0.000 0.000 0.244 266 G HA3 -0.236 3.724 3.960 0.000 0.000 0.244 266 G C -0.048 174.738 174.900 -0.191 0.000 0.998 266 G CA 0.137 45.149 45.100 -0.147 0.000 0.621 266 G HN 0.720 nan 8.290 nan 0.000 0.519 267 H N 1.930 120.999 119.070 -0.001 0.000 2.668 267 H HA 0.272 4.828 4.556 0.000 0.000 0.303 267 H C 1.266 176.597 175.328 0.006 0.000 1.074 267 H CA 0.445 56.497 56.048 0.007 0.000 1.406 267 H CB 1.421 31.187 29.762 0.008 0.000 1.442 267 H HN 0.501 nan 8.280 nan 0.000 0.482 268 D N 2.363 122.832 120.400 0.114 0.000 2.194 268 D HA -0.066 4.574 4.640 0.000 0.000 0.204 268 D C 0.459 176.798 176.300 0.064 0.000 0.964 268 D CA 0.481 54.521 54.000 0.067 0.000 0.846 268 D CB 0.382 41.207 40.800 0.043 0.000 0.962 268 D HN 0.111 nan 8.370 nan 0.000 0.490 269 V N 1.065 121.023 119.914 0.073 0.000 2.577 269 V HA 0.348 4.468 4.120 0.000 0.000 0.303 269 V C -0.526 175.590 176.094 0.036 0.000 1.042 269 V CA -1.002 61.325 62.300 0.045 0.000 0.872 269 V CB 2.537 34.380 31.823 0.032 0.000 0.998 269 V HN -0.082 nan 8.190 nan 0.000 0.423 270 V N 5.949 125.877 119.914 0.024 0.000 2.378 270 V HA 0.455 4.575 4.120 0.000 0.000 0.288 270 V C -0.464 175.632 176.094 0.004 0.000 1.016 270 V CA -0.551 61.750 62.300 0.002 0.000 0.840 270 V CB 1.637 33.473 31.823 0.021 0.000 0.994 270 V HN 0.664 nan 8.190 nan 0.000 0.431 271 L N 7.414 128.632 121.223 -0.008 0.000 2.265 271 L HA 0.634 4.974 4.340 0.000 0.000 0.289 271 L C -0.347 176.524 176.870 0.001 0.000 1.033 271 L CA 0.189 55.025 54.840 -0.006 0.000 0.814 271 L CB 1.484 43.538 42.059 -0.008 0.000 1.203 271 L HN 0.444 nan 8.230 nan 0.000 0.423 272 V N 6.840 126.755 119.914 0.002 0.000 2.435 272 V HA 0.499 4.619 4.120 0.000 0.000 0.290 272 V C 0.080 176.173 176.094 -0.002 0.000 1.030 272 V CA -0.419 61.892 62.300 0.017 0.000 0.881 272 V CB 1.426 33.252 31.823 0.006 0.000 0.983 272 V HN 0.595 nan 8.190 nan 0.000 0.445 273 I N 3.467 124.044 120.570 0.011 0.000 2.447 273 I HA 0.611 4.781 4.170 0.000 0.000 0.287 273 I C 0.929 177.059 176.117 0.022 0.000 1.023 273 I CA -0.457 60.849 61.300 0.010 0.000 1.083 273 I CB 1.733 39.743 38.000 0.016 0.000 1.245 273 I HN 0.837 nan 8.210 nan 0.000 0.434 274 G N 4.381 113.190 108.800 0.015 0.000 2.176 274 G HA2 -0.055 3.905 3.960 0.000 0.000 0.252 274 G HA3 -0.055 3.905 3.960 0.000 0.000 0.252 274 G C -0.049 174.879 174.900 0.046 0.000 1.024 274 G CA 0.221 45.339 45.100 0.031 0.000 0.755 274 G HN 1.023 nan 8.290 nan 0.000 0.507 275 A N -0.598 122.239 122.820 0.028 0.000 2.498 275 A HA 0.958 5.278 4.320 0.000 0.000 0.298 275 A C -2.560 175.013 177.584 -0.018 0.000 1.075 275 A CA -1.484 50.570 52.037 0.029 0.000 0.714 275 A CB 1.829 20.867 19.000 0.065 0.000 1.299 275 A HN 0.099 nan 8.150 nan 0.000 0.407 276 P HA 0.300 nan 4.420 nan 0.000 0.270 276 P C -0.713 176.457 177.300 -0.217 0.000 1.223 276 P CA -0.118 62.927 63.100 -0.092 0.000 0.785 276 P CB 0.591 32.256 31.700 -0.059 0.000 0.923 277 V N 3.253 122.931 119.914 -0.393 0.000 2.275 277 V HA 0.371 4.491 4.120 0.000 0.000 0.272 277 V C -0.327 175.417 176.094 -0.583 0.000 1.028 277 V CA -0.003 61.755 62.300 -0.903 0.000 0.810 277 V CB -0.860 30.450 31.823 -0.855 0.000 1.043 277 V HN 0.407 nan 8.190 nan 0.000 0.453 278 F N 2.294 121.989 119.950 -0.425 0.000 2.598 278 F HA 0.610 5.137 4.527 0.000 0.000 0.327 278 F C 0.667 176.126 175.800 -0.569 0.000 1.057 278 F CA -1.256 56.382 58.000 -0.603 0.000 0.957 278 F CB 1.822 40.271 39.000 -0.917 0.000 1.278 278 F HN 0.178 nan 8.300 nan 0.000 0.484 279 R N 1.731 122.154 120.500 -0.128 0.000 4.164 279 R HA 0.204 4.544 4.340 0.000 0.000 0.195 279 R C -1.318 174.972 176.300 -0.017 0.000 1.712 279 R CA -0.169 55.900 56.100 -0.051 0.000 1.457 279 R CB -1.261 29.030 30.300 -0.014 0.000 1.387 279 R HN 0.352 nan 8.270 nan 0.000 0.785 280 Y N -0.027 120.353 120.300 0.134 0.000 2.394 280 Y HA 0.046 4.596 4.550 0.000 0.000 0.351 280 Y C 1.541 177.534 175.900 0.155 0.000 1.272 280 Y CA 0.464 58.637 58.100 0.122 0.000 1.508 280 Y CB 0.306 38.846 38.460 0.135 0.000 1.369 280 Y HN 0.437 nan 8.280 nan 0.000 0.639 281 H N -0.720 118.471 119.070 0.202 0.000 2.356 281 H HA 0.098 4.654 4.556 0.000 0.000 0.149 281 H C -0.155 175.221 175.328 0.080 0.000 1.057 281 H CA 0.541 56.648 56.048 0.099 0.000 1.093 281 H CB -0.041 29.744 29.762 0.038 0.000 0.960 281 H HN 0.635 nan 8.280 nan 0.000 0.316 282 Q N 1.133 120.962 119.800 0.050 0.000 2.421 282 Q HA -0.040 4.300 4.340 0.000 0.000 0.255 282 Q C -0.661 175.424 176.000 0.143 0.000 1.013 282 Q CA -0.281 55.543 55.803 0.035 0.000 0.895 282 Q CB 0.545 29.305 28.738 0.036 0.000 1.271 282 Q HN 0.484 nan 8.270 nan 0.000 0.460 283 Y N 1.616 121.951 120.300 0.059 0.000 2.480 283 Y HA 0.153 4.703 4.550 0.000 0.000 0.341 283 Y C -0.840 175.060 175.900 -0.000 0.000 1.031 283 Y CA 0.028 58.145 58.100 0.029 0.000 1.295 283 Y CB 0.586 39.082 38.460 0.061 0.000 1.162 283 Y HN 0.773 nan 8.280 nan 0.000 0.523 284 D N 8.736 128.847 120.400 -0.481 0.000 2.978 284 D HA 0.235 4.875 4.640 0.000 0.000 0.268 284 D C -3.071 172.925 176.300 -0.506 0.000 1.252 284 D CA -1.621 52.142 54.000 -0.394 0.000 0.771 284 D CB 0.731 41.412 40.800 -0.198 0.000 1.361 284 D HN 0.255 nan 8.370 nan 0.000 0.558 285 P HA 0.525 nan 4.420 nan 0.000 0.272 285 P C 0.456 177.540 177.300 -0.361 0.000 1.223 285 P CA 0.237 63.005 63.100 -0.553 0.000 0.784 285 P CB 1.694 33.061 31.700 -0.555 0.000 0.923 286 G N 1.001 109.593 108.800 -0.346 0.000 2.367 286 G HA2 0.085 4.045 3.960 0.000 0.000 0.272 286 G HA3 0.085 4.045 3.960 0.000 0.000 0.272 286 G C -1.625 173.089 174.900 -0.310 0.000 1.271 286 G CA -0.705 44.236 45.100 -0.265 0.000 0.893 286 G HN 0.465 nan 8.290 nan 0.000 0.485 287 Q N -0.422 119.249 119.800 -0.215 0.000 2.288 287 Q HA 0.441 4.781 4.340 0.000 0.000 0.254 287 Q C 0.328 176.238 176.000 -0.151 0.000 0.932 287 Q CA -0.529 55.169 55.803 -0.176 0.000 0.902 287 Q CB 1.249 29.943 28.738 -0.073 0.000 1.203 287 Q HN 0.513 nan 8.270 nan 0.000 0.415 288 Y N 1.077 121.374 120.300 -0.005 0.000 2.200 288 Y HA -0.068 4.482 4.550 0.000 0.000 0.290 288 Y C 0.531 176.476 175.900 0.075 0.000 1.137 288 Y CA 0.941 59.072 58.100 0.052 0.000 1.163 288 Y CB 0.302 38.801 38.460 0.066 0.000 0.988 288 Y HN 0.389 nan 8.280 nan 0.000 0.518 289 L N -0.120 121.217 121.223 0.189 0.000 2.434 289 L HA 0.367 4.707 4.340 0.000 0.000 0.260 289 L C -0.602 176.303 176.870 0.059 0.000 0.983 289 L CA -1.319 53.589 54.840 0.114 0.000 0.820 289 L CB 2.055 44.179 42.059 0.108 0.000 1.361 289 L HN -0.306 nan 8.230 nan 0.000 0.410 290 K N 1.365 121.784 120.400 0.031 0.000 2.168 290 K HA 0.387 4.707 4.320 0.000 0.000 0.258 290 K C -2.415 174.194 176.600 0.016 0.000 1.010 290 K CA -1.751 54.542 56.287 0.011 0.000 0.929 290 K CB 0.350 32.847 32.500 -0.005 0.000 0.998 290 K HN 0.196 nan 8.250 nan 0.000 0.479 291 P HA 0.003 nan 4.420 nan 0.000 0.265 291 P C 0.699 178.004 177.300 0.008 0.000 1.193 291 P CA 0.733 63.838 63.100 0.009 0.000 0.765 291 P CB 0.362 32.063 31.700 0.002 0.000 0.823 292 G N 1.433 110.240 108.800 0.012 0.000 2.234 292 G HA2 -0.187 3.773 3.960 0.000 0.000 0.235 292 G HA3 -0.187 3.773 3.960 0.000 0.000 0.235 292 G C 0.172 175.085 174.900 0.022 0.000 0.997 292 G CA -0.022 45.085 45.100 0.012 0.000 0.623 292 G HN 0.625 nan 8.290 nan 0.000 0.514 293 T N 1.524 116.096 114.554 0.031 0.000 2.767 293 T HA 0.593 4.943 4.350 0.000 0.000 0.284 293 T C 0.117 174.841 174.700 0.040 0.000 0.973 293 T CA -0.356 61.772 62.100 0.045 0.000 0.996 293 T CB 1.838 70.741 68.868 0.057 0.000 0.927 293 T HN 0.533 nan 8.240 nan 0.000 0.456 294 R N 3.604 124.126 120.500 0.036 0.000 2.460 294 R HA 0.673 5.013 4.340 0.000 0.000 0.303 294 R C -1.235 175.079 176.300 0.023 0.000 0.968 294 R CA -0.747 55.368 56.100 0.024 0.000 0.889 294 R CB 0.861 31.171 30.300 0.017 0.000 1.123 294 R HN 0.573 nan 8.270 nan 0.000 0.455 295 L N 5.575 126.803 121.223 0.009 0.000 2.346 295 L HA 0.577 4.917 4.340 0.000 0.000 0.276 295 L C -1.293 175.561 176.870 -0.025 0.000 1.006 295 L CA -0.694 54.144 54.840 -0.003 0.000 0.817 295 L CB 1.508 43.562 42.059 -0.009 0.000 1.272 295 L HN 0.662 nan 8.230 nan 0.000 0.421 296 I N 3.801 124.355 120.570 -0.027 0.000 2.447 296 I HA 0.339 4.509 4.170 0.000 0.000 0.287 296 I C -0.508 175.580 176.117 -0.047 0.000 1.023 296 I CA -0.322 60.957 61.300 -0.035 0.000 1.083 296 I CB 2.054 40.041 38.000 -0.021 0.000 1.245 296 I HN 0.525 nan 8.210 nan 0.000 0.434 297 S N 5.690 121.350 115.700 -0.066 0.000 2.454 297 S HA 0.688 5.158 4.470 0.000 0.000 0.306 297 S C -0.781 173.786 174.600 -0.055 0.000 1.100 297 S CA -0.485 57.669 58.200 -0.076 0.000 1.087 297 S CB 1.366 64.491 63.200 -0.125 0.000 1.019 297 S HN 0.325 nan 8.310 nan 0.000 0.480 298 V N 4.376 124.264 119.914 -0.042 0.000 2.357 298 V HA 0.651 4.771 4.120 0.000 0.000 0.284 298 V C 0.347 176.420 176.094 -0.035 0.000 1.018 298 V CA -0.495 61.785 62.300 -0.033 0.000 0.841 298 V CB 1.145 32.956 31.823 -0.021 0.000 0.991 298 V HN 0.952 nan 8.190 nan 0.000 0.437 299 T N 3.039 117.569 114.554 -0.041 0.000 2.909 299 T HA 0.249 4.599 4.350 0.000 0.000 0.299 299 T C 0.830 175.495 174.700 -0.059 0.000 1.073 299 T CA -0.102 61.973 62.100 -0.042 0.000 0.999 299 T CB 1.393 70.234 68.868 -0.045 0.000 1.098 299 T HN 0.875 nan 8.240 nan 0.000 0.477 300 C N 1.652 120.901 119.300 -0.085 0.000 2.576 300 C HA 0.431 4.891 4.460 0.000 0.000 0.267 300 C C 0.503 175.394 174.990 -0.166 0.000 1.364 300 C CA -0.398 58.540 59.018 -0.133 0.000 1.723 300 C CB -1.399 26.229 27.740 -0.187 0.000 1.778 300 C HN 0.753 nan 8.230 nan 0.000 0.572 301 D N 1.032 121.357 120.400 -0.126 0.000 2.471 301 D HA 0.360 5.000 4.640 0.000 0.000 0.245 301 D C -1.838 174.438 176.300 -0.040 0.000 1.116 301 D CA -2.004 51.935 54.000 -0.102 0.000 0.853 301 D CB 1.927 42.696 40.800 -0.051 0.000 1.123 301 D HN -0.091 nan 8.370 nan 0.000 0.540 302 P HA -0.120 nan 4.420 nan 0.000 0.216 302 P C 1.714 179.020 177.300 0.010 0.000 1.150 302 P CA 0.905 63.999 63.100 -0.010 0.000 0.843 302 P CB 0.366 32.065 31.700 -0.001 0.000 0.787 303 L N -0.723 120.523 121.223 0.039 0.000 2.083 303 L HA -0.186 4.154 4.340 0.000 0.000 0.209 303 L C 2.413 179.307 176.870 0.039 0.000 1.083 303 L CA 1.550 56.429 54.840 0.065 0.000 0.752 303 L CB -0.845 41.295 42.059 0.134 0.000 0.899 303 L HN 0.046 nan 8.230 nan 0.000 0.433 304 E N 0.125 120.339 120.200 0.024 0.000 2.047 304 E HA -0.208 4.142 4.350 0.000 0.000 0.191 304 E C 2.353 178.927 176.600 -0.045 0.000 0.987 304 E CA 1.136 57.530 56.400 -0.010 0.000 0.799 304 E CB -0.199 29.497 29.700 -0.008 0.000 0.752 304 E HN 0.491 nan 8.360 nan 0.000 0.449 305 A N 1.546 124.341 122.820 -0.041 0.000 1.908 305 A HA -0.166 4.154 4.320 0.000 0.000 0.218 305 A C 2.389 179.942 177.584 -0.052 0.000 1.181 305 A CA 1.837 53.841 52.037 -0.056 0.000 0.627 305 A CB -0.677 18.296 19.000 -0.045 0.000 0.818 305 A HN 0.300 nan 8.150 nan 0.000 0.445 306 A N 0.504 123.306 122.820 -0.029 0.000 1.930 306 A HA -0.148 4.173 4.320 0.000 0.000 0.217 306 A C 2.185 179.749 177.584 -0.033 0.000 1.175 306 A CA 1.637 53.660 52.037 -0.023 0.000 0.627 306 A CB -0.420 18.578 19.000 -0.002 0.000 0.815 306 A HN 0.723 nan 8.150 nan 0.000 0.443 307 R N -0.752 119.729 120.500 -0.033 0.000 2.300 307 R HA 0.475 4.815 4.340 0.000 0.000 0.199 307 R C 0.772 177.024 176.300 -0.080 0.000 0.920 307 R CA 0.535 56.614 56.100 -0.035 0.000 1.046 307 R CB -0.445 29.854 30.300 -0.002 0.000 0.984 307 R HN 0.263 nan 8.270 nan 0.000 0.493 308 A N 2.961 125.710 122.820 -0.119 0.000 2.546 308 A HA 0.167 4.487 4.320 0.000 0.000 0.243 308 A C -1.651 175.802 177.584 -0.217 0.000 1.063 308 A CA -1.066 50.856 52.037 -0.191 0.000 0.757 308 A CB 0.192 19.061 19.000 -0.218 0.000 0.991 308 A HN 0.221 nan 8.150 nan 0.000 0.503 309 P HA 0.076 nan 4.420 nan 0.000 0.249 309 P C -0.181 176.880 177.300 -0.398 0.000 1.229 309 P CA 0.708 63.527 63.100 -0.467 0.000 0.788 309 P CB 0.005 31.061 31.700 -1.072 0.000 1.072 310 M N -3.125 116.301 119.600 -0.289 0.000 2.682 310 M HA 0.641 5.121 4.480 0.000 0.000 0.272 310 M C -0.460 175.757 176.300 -0.138 0.000 1.232 310 M CA -0.408 54.792 55.300 -0.167 0.000 0.849 310 M CB 1.125 33.663 32.600 -0.104 0.000 1.695 310 M HN 0.040 nan 8.290 nan 0.000 0.481 311 G N 1.650 110.399 108.800 -0.084 0.000 2.746 311 G HA2 -0.014 3.946 3.960 0.000 0.000 0.685 311 G HA3 -0.014 3.946 3.960 0.000 0.000 0.685 311 G C -1.551 173.308 174.900 -0.069 0.000 1.350 311 G CA -0.365 44.692 45.100 -0.072 0.000 0.837 311 G HN 0.985 nan 8.290 nan 0.000 0.564 312 D N 0.070 120.438 120.400 -0.054 0.000 2.348 312 D HA 0.749 5.389 4.640 0.000 0.000 0.249 312 D C 0.734 176.999 176.300 -0.059 0.000 1.110 312 D CA 1.046 55.017 54.000 -0.048 0.000 0.967 312 D CB 1.584 42.364 40.800 -0.033 0.000 1.139 312 D HN 1.266 nan 8.370 nan 0.000 0.466 313 A N 0.585 123.374 122.820 -0.052 0.000 2.539 313 A HA 0.738 5.058 4.320 0.000 0.000 0.296 313 A C -1.171 176.388 177.584 -0.042 0.000 1.073 313 A CA -0.610 51.394 52.037 -0.055 0.000 0.700 313 A CB 1.125 20.085 19.000 -0.066 0.000 1.296 313 A HN 0.453 nan 8.150 nan 0.000 0.405 314 I N 1.223 121.769 120.570 -0.040 0.000 2.478 314 I HA 0.381 4.551 4.170 0.000 0.000 0.287 314 I C -0.916 175.179 176.117 -0.036 0.000 1.042 314 I CA -0.823 60.457 61.300 -0.033 0.000 1.067 314 I CB 2.238 40.222 38.000 -0.027 0.000 1.233 314 I HN 0.304 nan 8.210 nan 0.000 0.431 315 V N 5.856 125.749 119.914 -0.035 0.000 2.318 315 V HA 0.849 4.969 4.120 0.000 0.000 0.271 315 V C 0.260 176.331 176.094 -0.039 0.000 1.030 315 V CA -0.117 62.159 62.300 -0.040 0.000 0.844 315 V CB 0.613 32.413 31.823 -0.039 0.000 1.015 315 V HN 0.870 nan 8.190 nan 0.000 0.460 316 A N 3.557 126.351 122.820 -0.043 0.000 2.599 316 A HA 0.627 4.947 4.320 0.000 0.000 0.290 316 A C -1.077 176.481 177.584 -0.044 0.000 1.101 316 A CA -0.787 51.227 52.037 -0.038 0.000 0.674 316 A CB 1.171 20.155 19.000 -0.028 0.000 1.277 316 A HN 0.722 nan 8.150 nan 0.000 0.419 317 D N 0.236 120.613 120.400 -0.038 0.000 2.425 317 D HA 0.275 4.915 4.640 0.000 0.000 0.247 317 D C 1.044 177.328 176.300 -0.026 0.000 1.147 317 D CA -0.336 53.642 54.000 -0.038 0.000 0.879 317 D CB 0.368 41.151 40.800 -0.029 0.000 1.179 317 D HN 0.277 nan 8.370 nan 0.000 0.456 318 I N 3.720 124.275 120.570 -0.025 0.000 2.315 318 I HA -0.038 4.132 4.170 0.000 0.000 0.248 318 I C 2.313 178.430 176.117 -0.000 0.000 1.117 318 I CA 1.038 62.332 61.300 -0.010 0.000 1.404 318 I CB -1.603 36.396 38.000 -0.002 0.000 1.071 318 I HN 0.692 nan 8.210 nan 0.000 0.419 319 G N 0.860 109.660 108.800 -0.000 0.000 2.421 319 G HA2 -0.210 3.750 3.960 0.000 0.000 0.216 319 G HA3 -0.210 3.750 3.960 0.000 0.000 0.216 319 G C 1.858 176.761 174.900 0.004 0.000 1.171 319 G CA 1.063 46.166 45.100 0.005 0.000 0.775 319 G HN 0.477 nan 8.290 nan 0.000 0.543 320 A N 0.252 123.072 122.820 0.000 0.000 1.898 320 A HA 0.076 4.396 4.320 0.000 0.000 0.216 320 A C 2.447 180.031 177.584 0.000 0.000 1.181 320 A CA 1.855 53.892 52.037 0.000 0.000 0.620 320 A CB -0.306 18.692 19.000 -0.002 0.000 0.819 320 A HN 0.300 nan 8.150 nan 0.000 0.442 321 M N -0.475 119.124 119.600 -0.002 0.000 2.132 321 M HA -0.073 4.407 4.480 0.000 0.000 0.263 321 M C 2.550 178.853 176.300 0.004 0.000 1.065 321 M CA 1.572 56.871 55.300 -0.001 0.000 1.122 321 M CB -1.432 31.165 32.600 -0.006 0.000 1.365 321 M HN 0.483 nan 8.290 nan 0.000 0.411 322 A N -0.549 122.276 122.820 0.008 0.000 1.902 322 A HA -0.162 4.158 4.320 0.000 0.000 0.217 322 A C 2.481 180.074 177.584 0.014 0.000 1.181 322 A CA 2.313 54.359 52.037 0.015 0.000 0.623 322 A CB -0.970 18.044 19.000 0.022 0.000 0.818 322 A HN 0.494 nan 8.150 nan 0.000 0.443 323 S N -0.484 115.222 115.700 0.010 0.000 2.368 323 S HA -0.042 4.428 4.470 0.000 0.000 0.225 323 S C 2.186 176.791 174.600 0.008 0.000 1.030 323 S CA 1.625 59.831 58.200 0.009 0.000 0.999 323 S CB -0.491 62.713 63.200 0.007 0.000 0.844 323 S HN 0.816 nan 8.310 nan 0.000 0.459 324 A N 1.441 124.264 122.820 0.006 0.000 1.877 324 A HA 0.066 4.386 4.320 0.000 0.000 0.216 324 A C 2.240 179.828 177.584 0.007 0.000 1.186 324 A CA 1.442 53.482 52.037 0.005 0.000 0.620 324 A CB -0.851 18.151 19.000 0.003 0.000 0.822 324 A HN 0.571 nan 8.150 nan 0.000 0.443 325 L N -0.760 120.468 121.223 0.008 0.000 2.046 325 L HA -0.200 4.140 4.340 0.000 0.000 0.208 325 L C 3.101 179.979 176.870 0.014 0.000 1.077 325 L CA 1.068 55.914 54.840 0.010 0.000 0.747 325 L CB -0.578 41.488 42.059 0.011 0.000 0.896 325 L HN 0.444 nan 8.230 nan 0.000 0.432 326 A N -0.059 122.770 122.820 0.016 0.000 1.940 326 A HA -0.199 4.121 4.320 0.000 0.000 0.219 326 A C 1.993 179.587 177.584 0.016 0.000 1.176 326 A CA 1.798 53.846 52.037 0.019 0.000 0.631 326 A CB -0.477 18.535 19.000 0.019 0.000 0.814 326 A HN 0.473 nan 8.150 nan 0.000 0.446 327 N N -0.835 117.873 118.700 0.012 0.000 2.422 327 N HA 0.130 4.870 4.740 0.000 0.000 0.181 327 N C 1.305 176.821 175.510 0.010 0.000 1.080 327 N CA 0.586 53.642 53.050 0.010 0.000 0.893 327 N CB 0.200 38.692 38.487 0.008 0.000 0.973 327 N HN 0.479 nan 8.380 nan 0.000 0.456 328 L N 0.477 121.706 121.223 0.010 0.000 2.470 328 L HA 0.146 4.486 4.340 0.000 0.000 0.219 328 L C 0.787 177.664 176.870 0.011 0.000 1.071 328 L CA 0.020 54.866 54.840 0.009 0.000 0.850 328 L CB 0.118 42.181 42.059 0.007 0.000 1.040 328 L HN -0.117 nan 8.230 nan 0.000 0.475 329 V N -1.582 118.340 119.914 0.013 0.000 2.924 329 V HA 0.128 4.248 4.120 0.000 0.000 0.305 329 V C 0.291 176.395 176.094 0.016 0.000 1.073 329 V CA -0.907 61.401 62.300 0.015 0.000 1.098 329 V CB 0.457 32.291 31.823 0.018 0.000 1.000 329 V HN 0.145 nan 8.190 nan 0.000 0.484 330 E N 1.026 121.235 120.200 0.016 0.000 2.390 330 E HA 0.175 4.525 4.350 0.000 0.000 0.261 330 E C -0.214 176.398 176.600 0.020 0.000 1.076 330 E CA -0.227 56.183 56.400 0.016 0.000 0.905 330 E CB 0.696 30.405 29.700 0.015 0.000 0.984 330 E HN 0.889 nan 8.360 nan 0.000 0.427 331 E N 1.673 121.885 120.200 0.020 0.000 2.166 331 E HA 0.021 4.371 4.350 0.000 0.000 0.279 331 E C -0.721 175.893 176.600 0.022 0.000 1.095 331 E CA -0.047 56.367 56.400 0.023 0.000 0.888 331 E CB 0.629 30.341 29.700 0.021 0.000 1.041 331 E HN 0.285 nan 8.360 nan 0.000 0.414 332 S N 3.039 118.754 115.700 0.026 0.000 2.572 332 S HA 0.033 4.503 4.470 0.000 0.000 0.279 332 S C 1.059 175.673 174.600 0.023 0.000 1.341 332 S CA 0.131 58.346 58.200 0.025 0.000 1.043 332 S CB 0.530 63.747 63.200 0.029 0.000 0.887 332 S HN 0.652 nan 8.310 nan 0.000 0.516 333 S N 4.091 119.803 115.700 0.020 0.000 2.561 333 S HA 0.131 4.601 4.470 0.000 0.000 0.225 333 S C 0.708 175.319 174.600 0.019 0.000 0.977 333 S CA -0.189 58.021 58.200 0.018 0.000 0.926 333 S CB -0.194 63.015 63.200 0.014 0.000 0.769 333 S HN 0.714 nan 8.310 nan 0.000 0.533 334 R N 1.439 121.953 120.500 0.023 0.000 2.784 334 R HA 0.169 4.509 4.340 0.000 0.000 0.266 334 R C 0.080 176.395 176.300 0.025 0.000 1.044 334 R CA -0.151 55.964 56.100 0.025 0.000 1.151 334 R CB 0.185 30.504 30.300 0.031 0.000 1.037 334 R HN 0.309 nan 8.270 nan 0.000 0.478 335 Q N 1.561 121.375 119.800 0.023 0.000 2.332 335 Q HA 0.056 4.396 4.340 0.000 0.000 0.263 335 Q C -0.257 175.760 176.000 0.029 0.000 0.979 335 Q CA -0.298 55.518 55.803 0.022 0.000 0.885 335 Q CB 0.760 29.508 28.738 0.016 0.000 1.218 335 Q HN 0.292 nan 8.270 nan 0.000 0.405 336 L N 5.208 126.448 121.223 0.029 0.000 2.525 336 L HA 0.084 4.424 4.340 0.000 0.000 0.278 336 L C -2.018 174.872 176.870 0.033 0.000 1.218 336 L CA -0.591 54.272 54.840 0.038 0.000 0.878 336 L CB -0.061 42.017 42.059 0.033 0.000 1.127 336 L HN 0.471 nan 8.230 nan 0.000 0.492 337 P HA 0.040 nan 4.420 nan 0.000 0.266 337 P C -0.937 176.373 177.300 0.017 0.000 1.193 337 P CA 0.079 63.197 63.100 0.031 0.000 0.770 337 P CB 0.327 32.050 31.700 0.037 0.000 0.836 338 T N 1.767 116.324 114.554 0.005 0.000 2.882 338 T HA 0.481 4.831 4.350 0.000 0.000 0.287 338 T C 0.182 174.878 174.700 -0.007 0.000 0.992 338 T CA -0.305 61.791 62.100 -0.005 0.000 1.076 338 T CB 0.618 69.482 68.868 -0.005 0.000 0.961 338 T HN 0.438 nan 8.240 nan 0.000 0.490 339 A N 2.494 125.308 122.820 -0.010 0.000 2.498 339 A HA 0.578 4.898 4.320 0.000 0.000 0.239 339 A C 0.820 178.403 177.584 -0.001 0.000 1.068 339 A CA -0.471 51.568 52.037 0.002 0.000 0.766 339 A CB -0.225 18.773 19.000 -0.004 0.000 1.003 339 A HN 1.073 nan 8.150 nan 0.000 0.497 340 A N 3.837 126.659 122.820 0.003 0.000 2.498 340 A HA 0.507 4.827 4.320 0.000 0.000 0.239 340 A C -1.373 176.213 177.584 0.005 0.000 1.068 340 A CA -0.756 51.276 52.037 -0.009 0.000 0.766 340 A CB -0.667 18.322 19.000 -0.018 0.000 1.003 340 A HN 0.784 nan 8.150 nan 0.000 0.497 341 P HA 0.193 nan 4.420 nan 0.000 0.272 341 P C -0.333 176.972 177.300 0.009 0.000 1.240 341 P CA -0.283 62.819 63.100 0.004 0.000 0.791 341 P CB 0.435 32.136 31.700 0.002 0.000 0.978 342 E N 1.239 121.445 120.200 0.010 0.000 2.404 342 E HA 0.138 4.488 4.350 0.000 0.000 0.261 342 E C -1.567 175.041 176.600 0.013 0.000 1.074 342 E CA -1.143 55.265 56.400 0.013 0.000 0.917 342 E CB -0.338 29.368 29.700 0.011 0.000 0.965 342 E HN 0.462 nan 8.360 nan 0.000 0.433 343 P HA 0.085 nan 4.420 nan 0.000 0.274 343 P C -0.997 176.312 177.300 0.016 0.000 1.256 343 P CA -0.442 62.668 63.100 0.017 0.000 0.795 343 P CB 0.522 32.236 31.700 0.023 0.000 1.038 344 A N 1.110 123.938 122.820 0.014 0.000 2.520 344 A HA 0.063 4.383 4.320 0.000 0.000 0.235 344 A C 0.516 178.106 177.584 0.011 0.000 1.065 344 A CA 0.002 52.045 52.037 0.009 0.000 0.764 344 A CB -0.410 18.593 19.000 0.005 0.000 1.002 344 A HN 0.573 nan 8.150 nan 0.000 0.502 345 K N 2.368 122.772 120.400 0.007 0.000 2.285 345 K HA 0.431 4.751 4.320 0.000 0.000 0.286 345 K C -0.737 175.856 176.600 -0.012 0.000 1.072 345 K CA -0.462 55.829 56.287 0.007 0.000 0.913 345 K CB 0.518 33.024 32.500 0.010 0.000 1.067 345 K HN 0.437 nan 8.250 nan 0.000 0.479 346 V N 4.332 124.230 119.914 -0.027 0.000 2.637 346 V HA -0.029 4.091 4.120 0.000 0.000 0.296 346 V C -0.014 176.029 176.094 -0.085 0.000 1.046 346 V CA -0.363 61.882 62.300 -0.093 0.000 1.066 346 V CB 0.840 32.564 31.823 -0.166 0.000 0.968 346 V HN 0.837 nan 8.190 nan 0.000 0.483 347 D N 3.552 123.895 120.400 -0.095 0.000 2.458 347 D HA 0.269 4.909 4.640 0.000 0.000 0.243 347 D C 0.010 176.309 176.300 -0.002 0.000 1.146 347 D CA 0.350 54.327 54.000 -0.037 0.000 0.877 347 D CB 0.718 41.504 40.800 -0.023 0.000 1.176 347 D HN 0.576 nan 8.370 nan 0.000 0.461 348 Q N 2.220 122.061 119.800 0.068 0.000 2.290 348 Q HA 0.236 4.576 4.340 0.000 0.000 0.269 348 Q C -1.288 174.771 176.000 0.098 0.000 1.016 348 Q CA -0.825 55.068 55.803 0.149 0.000 0.754 348 Q CB 1.114 29.931 28.738 0.132 0.000 1.247 348 Q HN 0.386 nan 8.270 nan 0.000 0.451 349 D N 2.153 122.615 120.400 0.103 0.000 2.447 349 D HA 0.301 4.941 4.640 0.000 0.000 0.265 349 D C 0.067 176.393 176.300 0.043 0.000 1.250 349 D CA -0.114 53.922 54.000 0.061 0.000 1.046 349 D CB 0.564 41.398 40.800 0.058 0.000 1.095 349 D HN 0.484 nan 8.370 nan 0.000 0.555 350 A N -0.925 121.912 122.820 0.029 0.000 2.291 350 A HA 0.453 4.773 4.320 0.000 0.000 0.220 350 A C 0.992 178.583 177.584 0.011 0.000 1.262 350 A CA 0.468 52.517 52.037 0.020 0.000 0.867 350 A CB -1.040 17.971 19.000 0.018 0.000 0.888 350 A HN 0.577 nan 8.150 nan 0.000 0.487 351 G N -0.650 108.153 108.800 0.006 0.000 3.019 351 G HA2 0.435 4.395 3.960 0.000 0.000 0.152 351 G HA3 0.435 4.395 3.960 0.000 0.000 0.152 351 G C 0.011 174.893 174.900 -0.030 0.000 1.320 351 G CA -0.988 44.107 45.100 -0.009 0.000 1.013 351 G HN 0.414 nan 8.290 nan 0.000 0.593 352 R N -0.322 120.146 120.500 -0.054 0.000 2.756 352 R HA 0.143 4.483 4.340 0.000 0.000 0.264 352 R C -0.387 175.831 176.300 -0.137 0.000 1.026 352 R CA -0.366 55.687 56.100 -0.079 0.000 1.121 352 R CB 0.255 30.506 30.300 -0.081 0.000 0.999 352 R HN 0.090 nan 8.270 nan 0.000 0.449 353 L N 4.046 125.201 121.223 -0.113 0.000 2.319 353 L HA 0.140 4.480 4.340 0.000 0.000 0.280 353 L C 0.730 177.502 176.870 -0.164 0.000 1.099 353 L CA 0.150 54.928 54.840 -0.104 0.000 0.828 353 L CB 0.488 42.510 42.059 -0.062 0.000 1.150 353 L HN 0.475 nan 8.230 nan 0.000 0.442 354 H N 5.180 124.246 119.070 -0.006 0.000 2.928 354 H HA 0.032 4.588 4.556 0.000 0.000 0.338 354 H C -1.369 173.937 175.328 -0.036 0.000 1.047 354 H CA -1.184 54.864 56.048 0.000 0.000 1.435 354 H CB 0.694 30.468 29.762 0.019 0.000 1.428 354 H HN 0.352 nan 8.280 nan 0.000 0.590 355 P HA -0.152 nan 4.420 nan 0.000 0.216 355 P C 1.078 178.340 177.300 -0.064 0.000 1.150 355 P CA 1.269 64.327 63.100 -0.070 0.000 0.843 355 P CB 0.385 32.120 31.700 0.059 0.000 0.787 356 E N -1.013 119.271 120.200 0.139 0.000 2.118 356 E HA -0.140 4.210 4.350 0.000 0.000 0.195 356 E C 1.961 178.625 176.600 0.107 0.000 0.992 356 E CA 1.728 58.238 56.400 0.184 0.000 0.804 356 E CB -1.328 28.450 29.700 0.129 0.000 0.741 356 E HN 0.253 nan 8.360 nan 0.000 0.458 357 T N 0.163 114.759 114.554 0.071 0.000 2.746 357 T HA -0.130 4.220 4.350 0.000 0.000 0.267 357 T C 2.012 176.704 174.700 -0.013 0.000 1.039 357 T CA 1.242 63.368 62.100 0.044 0.000 1.142 357 T CB -0.308 68.599 68.868 0.066 0.000 0.866 357 T HN -0.018 nan 8.240 nan 0.000 0.444 358 V N 0.945 120.787 119.914 -0.120 0.000 2.295 358 V HA -0.139 3.981 4.120 0.000 0.000 0.246 358 V C 2.180 178.164 176.094 -0.184 0.000 1.049 358 V CA 1.682 63.853 62.300 -0.214 0.000 1.024 358 V CB -0.843 30.744 31.823 -0.392 0.000 0.648 358 V HN 0.365 nan 8.190 nan 0.000 0.447 359 F N 0.668 120.623 119.950 0.008 0.000 2.134 359 F HA -0.117 4.410 4.527 0.000 0.000 0.299 359 F C 2.296 178.078 175.800 -0.031 0.000 1.097 359 F CA 1.391 59.371 58.000 -0.034 0.000 1.264 359 F CB -0.918 38.049 39.000 -0.055 0.000 1.001 359 F HN 0.203 nan 8.300 nan 0.000 0.479 360 D N -0.508 119.982 120.400 0.151 0.000 2.144 360 D HA -0.126 4.514 4.640 0.000 0.000 0.199 360 D C 2.278 178.617 176.300 0.065 0.000 0.984 360 D CA 1.791 55.845 54.000 0.089 0.000 0.834 360 D CB -0.764 40.077 40.800 0.067 0.000 0.955 360 D HN 0.199 nan 8.370 nan 0.000 0.465 361 T N 1.018 115.603 114.554 0.052 0.000 2.777 361 T HA -0.037 4.313 4.350 0.000 0.000 0.266 361 T C 2.239 176.976 174.700 0.061 0.000 1.040 361 T CA 0.429 62.554 62.100 0.043 0.000 1.141 361 T CB -0.228 68.654 68.868 0.023 0.000 0.868 361 T HN 0.111 nan 8.240 nan 0.000 0.444 362 L N 1.210 122.483 121.223 0.084 0.000 2.012 362 L HA -0.156 4.184 4.340 0.000 0.000 0.210 362 L C 2.627 179.588 176.870 0.152 0.000 1.073 362 L CA 1.450 56.374 54.840 0.141 0.000 0.748 362 L CB -0.600 41.585 42.059 0.211 0.000 0.891 362 L HN 0.271 nan 8.230 nan 0.000 0.431 363 N N -0.172 118.594 118.700 0.109 0.000 2.223 363 N HA -0.203 4.537 4.740 0.000 0.000 0.185 363 N C 1.437 176.990 175.510 0.072 0.000 1.016 363 N CA 1.365 54.466 53.050 0.085 0.000 0.863 363 N CB 0.016 38.522 38.487 0.032 0.000 0.983 363 N HN 0.224 nan 8.380 nan 0.000 0.429 364 D N -0.478 119.958 120.400 0.060 0.000 2.117 364 D HA -0.090 4.550 4.640 0.000 0.000 0.198 364 D C 1.636 177.963 176.300 0.044 0.000 0.982 364 D CA 1.145 55.172 54.000 0.044 0.000 0.828 364 D CB -0.040 40.782 40.800 0.037 0.000 0.967 364 D HN 0.464 nan 8.370 nan 0.000 0.464 365 M N -0.060 119.572 119.600 0.054 0.000 2.567 365 M HA 0.214 4.694 4.480 0.000 0.000 0.261 365 M C 0.879 177.204 176.300 0.043 0.000 1.180 365 M CA -0.096 55.230 55.300 0.043 0.000 1.143 365 M CB 0.647 33.270 32.600 0.039 0.000 1.319 365 M HN -0.188 nan 8.290 nan 0.000 0.490 366 A N 2.400 125.262 122.820 0.069 0.000 2.386 366 A HA 0.420 4.740 4.320 0.000 0.000 0.248 366 A C -2.111 175.488 177.584 0.025 0.000 1.082 366 A CA -1.109 50.957 52.037 0.050 0.000 0.789 366 A CB -0.672 18.391 19.000 0.106 0.000 1.025 366 A HN 0.112 nan 8.150 nan 0.000 0.490 367 P HA 0.104 nan 4.420 nan 0.000 0.270 367 P C 0.061 177.355 177.300 -0.010 0.000 1.223 367 P CA -0.054 63.036 63.100 -0.016 0.000 0.785 367 P CB 0.545 32.224 31.700 -0.036 0.000 0.923 368 E N 0.866 121.063 120.200 -0.006 0.000 2.265 368 E HA -0.160 4.190 4.350 0.000 0.000 0.196 368 E C 0.895 177.487 176.600 -0.015 0.000 0.996 368 E CA 0.948 57.347 56.400 -0.001 0.000 0.832 368 E CB -0.208 29.488 29.700 -0.007 0.000 0.756 368 E HN 0.518 nan 8.360 nan 0.000 0.491 369 N N 0.395 119.075 118.700 -0.033 0.000 2.279 369 N HA 0.112 4.852 4.740 0.000 0.000 0.226 369 N C -0.184 175.276 175.510 -0.083 0.000 1.126 369 N CA -0.049 52.974 53.050 -0.046 0.000 0.846 369 N CB 0.139 38.603 38.487 -0.039 0.000 1.050 369 N HN -0.064 nan 8.380 nan 0.000 0.502 370 A N 0.732 123.476 122.820 -0.127 0.000 2.492 370 A HA 0.428 4.748 4.320 0.000 0.000 0.236 370 A C 0.078 177.475 177.584 -0.312 0.000 1.078 370 A CA -0.043 51.828 52.037 -0.277 0.000 0.773 370 A CB 0.058 18.784 19.000 -0.457 0.000 1.023 370 A HN 0.402 nan 8.150 nan 0.000 0.504 371 I N 0.481 120.829 120.570 -0.369 0.000 2.465 371 I HA 0.361 4.531 4.170 0.000 0.000 0.291 371 I C -1.297 174.611 176.117 -0.347 0.000 1.014 371 I CA -0.296 60.871 61.300 -0.222 0.000 1.093 371 I CB 1.585 39.564 38.000 -0.034 0.000 1.267 371 I HN 0.602 nan 8.210 nan 0.000 0.431 372 Y N 5.916 126.236 120.300 0.032 0.000 2.387 372 Y HA 0.655 5.205 4.550 0.000 0.000 0.336 372 Y C -0.480 175.418 175.900 -0.003 0.000 1.067 372 Y CA -0.831 57.283 58.100 0.023 0.000 1.114 372 Y CB 1.535 40.020 38.460 0.042 0.000 1.208 372 Y HN 0.296 nan 8.280 nan 0.000 0.458 373 L N 2.780 124.089 121.223 0.144 0.000 2.362 373 L HA 0.469 4.809 4.340 0.000 0.000 0.271 373 L C -0.631 176.292 176.870 0.087 0.000 1.002 373 L CA -0.660 54.217 54.840 0.061 0.000 0.818 373 L CB 1.634 43.728 42.059 0.058 0.000 1.298 373 L HN 0.566 nan 8.230 nan 0.000 0.420 374 N N 1.476 120.209 118.700 0.055 0.000 2.443 374 N HA 0.309 5.049 4.740 0.000 0.000 0.269 374 N C -0.820 174.868 175.510 0.296 0.000 0.985 374 N CA -0.228 52.946 53.050 0.207 0.000 0.921 374 N CB 1.369 40.008 38.487 0.255 0.000 1.195 374 N HN 0.692 nan 8.380 nan 0.000 0.492 375 E N 1.852 122.203 120.200 0.251 0.000 3.843 375 E HA 0.131 4.482 4.350 0.000 0.000 0.189 375 E C -1.298 175.437 176.600 0.224 0.000 1.013 375 E CA -0.099 56.433 56.400 0.220 0.000 1.395 375 E CB 0.194 29.977 29.700 0.139 0.000 1.136 375 E HN 0.353 nan 8.360 nan 0.000 0.444 376 S N 0.297 116.157 115.700 0.266 0.000 2.475 376 S HA 0.105 4.575 4.470 0.000 0.000 0.249 376 S C 1.169 175.920 174.600 0.251 0.000 1.298 376 S CA -0.231 58.115 58.200 0.243 0.000 1.125 376 S CB 0.396 63.753 63.200 0.262 0.000 1.054 376 S HN 0.390 nan 8.310 nan 0.000 0.484 377 T N 0.705 115.400 114.554 0.235 0.000 2.951 377 T HA -0.100 4.250 4.350 0.000 0.000 0.268 377 T C 1.817 176.607 174.700 0.149 0.000 1.073 377 T CA 1.265 63.505 62.100 0.234 0.000 1.134 377 T CB -0.425 68.574 68.868 0.219 0.000 0.884 377 T HN 0.660 nan 8.240 nan 0.000 0.479 378 S N 1.533 117.314 115.700 0.135 0.000 2.558 378 S HA 0.033 4.503 4.470 0.000 0.000 0.217 378 S C 1.715 176.347 174.600 0.053 0.000 0.975 378 S CA 0.443 58.680 58.200 0.062 0.000 0.912 378 S CB -0.630 62.632 63.200 0.104 0.000 0.776 378 S HN 0.710 nan 8.310 nan 0.000 0.526 379 T N -2.941 111.692 114.554 0.131 0.000 3.132 379 T HA 0.230 4.580 4.350 0.000 0.000 0.274 379 T C 1.202 175.966 174.700 0.106 0.000 1.011 379 T CA 0.176 62.388 62.100 0.186 0.000 0.899 379 T CB -0.176 68.924 68.868 0.387 0.000 1.089 379 T HN 0.173 nan 8.240 nan 0.000 0.543 380 T N 2.235 116.821 114.554 0.053 0.000 2.720 380 T HA -0.012 4.338 4.350 0.000 0.000 0.268 380 T C 2.398 177.116 174.700 0.031 0.000 1.037 380 T CA 1.546 63.662 62.100 0.026 0.000 1.144 380 T CB -0.651 68.207 68.868 -0.017 0.000 0.864 380 T HN 0.630 nan 8.240 nan 0.000 0.444 381 A N 1.405 124.219 122.820 -0.010 0.000 1.902 381 A HA -0.146 4.174 4.320 0.000 0.000 0.217 381 A C 2.401 179.984 177.584 -0.001 0.000 1.181 381 A CA 1.203 53.235 52.037 -0.008 0.000 0.623 381 A CB -0.499 18.469 19.000 -0.054 0.000 0.818 381 A HN 0.316 nan 8.150 nan 0.000 0.443 382 Q N -1.074 118.712 119.800 -0.023 0.000 2.119 382 Q HA -0.142 4.198 4.340 0.000 0.000 0.201 382 Q C 2.115 177.963 176.000 -0.254 0.000 0.972 382 Q CA 1.564 57.350 55.803 -0.028 0.000 0.847 382 Q CB -0.483 28.322 28.738 0.111 0.000 0.903 382 Q HN 0.819 nan 8.270 nan 0.000 0.433 383 M N -1.076 118.151 119.600 -0.623 0.000 2.080 383 M HA -0.204 4.276 4.480 0.000 0.000 0.260 383 M C 1.557 177.507 176.300 -0.584 0.000 1.068 383 M CA 1.677 56.279 55.300 -1.162 0.000 1.109 383 M CB -0.213 31.683 32.600 -1.174 0.000 1.342 383 M HN 0.198 nan 8.290 nan 0.000 0.405 384 W N 0.665 121.729 121.300 -0.394 0.000 2.392 384 W HA -0.176 4.484 4.660 0.000 0.000 0.279 384 W C 2.311 178.725 176.519 -0.174 0.000 1.225 384 W CA 1.260 58.429 57.345 -0.292 0.000 1.233 384 W CB -0.112 29.201 29.460 -0.244 0.000 1.122 384 W HN 0.375 nan 8.180 nan 0.000 0.561 385 Q N -0.789 119.045 119.800 0.057 0.000 2.331 385 Q HA 0.001 4.341 4.340 0.000 0.000 0.203 385 Q C 1.809 177.804 176.000 -0.008 0.000 0.944 385 Q CA 0.782 56.614 55.803 0.048 0.000 0.892 385 Q CB -0.009 28.747 28.738 0.031 0.000 0.983 385 Q HN 0.310 nan 8.270 nan 0.000 0.482 386 R N -0.481 119.966 120.500 -0.089 0.000 2.365 386 R HA 0.253 4.593 4.340 0.000 0.000 0.223 386 R C -0.142 176.091 176.300 -0.112 0.000 0.899 386 R CA -0.032 56.031 56.100 -0.062 0.000 1.059 386 R CB 0.758 31.062 30.300 0.007 0.000 1.086 386 R HN 0.053 nan 8.270 nan 0.000 0.522 387 L N 1.500 122.589 121.223 -0.223 0.000 2.287 387 L HA 0.304 4.644 4.340 0.000 0.000 0.287 387 L C -0.384 176.373 176.870 -0.188 0.000 1.022 387 L CA -0.548 54.124 54.840 -0.279 0.000 0.814 387 L CB 1.581 43.293 42.059 -0.577 0.000 1.217 387 L HN 0.087 nan 8.230 nan 0.000 0.420 388 N N 4.872 123.512 118.700 -0.100 0.000 2.402 388 N HA 0.327 5.067 4.740 0.000 0.000 0.252 388 N C -0.834 174.644 175.510 -0.054 0.000 1.118 388 N CA -0.408 52.595 53.050 -0.077 0.000 0.945 388 N CB 0.545 39.009 38.487 -0.038 0.000 1.147 388 N HN 0.574 nan 8.380 nan 0.000 0.495 389 M N 3.747 123.285 119.600 -0.104 0.000 2.065 389 M HA 0.239 4.719 4.480 0.000 0.000 0.332 389 M C 0.749 176.983 176.300 -0.110 0.000 0.988 389 M CA -0.445 54.810 55.300 -0.074 0.000 0.944 389 M CB 1.483 34.018 32.600 -0.109 0.000 1.357 389 M HN 0.477 nan 8.290 nan 0.000 0.388 390 R N 0.285 120.739 120.500 -0.076 0.000 2.161 390 R HA 0.122 4.462 4.340 0.000 0.000 0.213 390 R C 0.364 176.606 176.300 -0.097 0.000 1.055 390 R CA 0.734 56.779 56.100 -0.092 0.000 0.996 390 R CB 0.198 30.460 30.300 -0.063 0.000 0.901 390 R HN 0.588 nan 8.270 nan 0.000 0.456 391 N N 0.891 119.549 118.700 -0.071 0.000 2.443 391 N HA 0.295 5.035 4.740 0.000 0.000 0.293 391 N C -2.609 172.869 175.510 -0.053 0.000 1.159 391 N CA -1.672 51.342 53.050 -0.060 0.000 0.904 391 N CB 1.234 39.698 38.487 -0.040 0.000 1.214 391 N HN -0.215 nan 8.380 nan 0.000 0.513 392 P HA 0.101 nan 4.420 nan 0.000 0.271 392 P C 0.524 177.818 177.300 -0.009 0.000 1.244 392 P CA 0.261 63.347 63.100 -0.023 0.000 0.793 392 P CB 0.272 31.965 31.700 -0.012 0.000 0.984 393 G N 0.143 108.939 108.800 -0.005 0.000 2.249 393 G HA2 -0.262 3.698 3.960 0.000 0.000 0.273 393 G HA3 -0.262 3.698 3.960 0.000 0.000 0.273 393 G C 0.674 175.575 174.900 0.002 0.000 1.036 393 G CA 0.511 45.627 45.100 0.026 0.000 0.824 393 G HN 0.445 nan 8.290 nan 0.000 0.504 394 S N -1.592 114.072 115.700 -0.060 0.000 2.540 394 S HA 0.385 4.855 4.470 0.000 0.000 0.218 394 S C -0.002 174.627 174.600 0.048 0.000 0.977 394 S CA 0.306 58.508 58.200 0.003 0.000 0.918 394 S CB 0.485 63.697 63.200 0.019 0.000 0.806 394 S HN 0.771 nan 8.310 nan 0.000 0.496 395 Y N 0.616 120.716 120.300 -0.334 0.000 2.479 395 Y HA 0.554 5.104 4.550 0.000 0.000 0.338 395 Y C -2.141 173.423 175.900 -0.560 0.000 1.055 395 Y CA -1.281 56.648 58.100 -0.285 0.000 1.023 395 Y CB 1.047 39.309 38.460 -0.331 0.000 1.287 395 Y HN 0.038 nan 8.280 nan 0.000 0.447 396 Y N 6.221 126.280 120.300 -0.401 0.000 2.457 396 Y HA 0.588 5.138 4.550 0.000 0.000 0.343 396 Y C -1.466 174.282 175.900 -0.252 0.000 0.994 396 Y CA -1.197 56.815 58.100 -0.147 0.000 1.031 396 Y CB 2.186 40.744 38.460 0.162 0.000 1.246 396 Y HN 0.589 nan 8.280 nan 0.000 0.449 397 F N 2.705 122.614 119.950 -0.069 0.000 2.581 397 F HA 0.559 5.086 4.527 0.000 0.000 0.311 397 F C -0.369 175.327 175.800 -0.175 0.000 1.113 397 F CA -1.774 56.206 58.000 -0.033 0.000 0.935 397 F CB 0.918 39.962 39.000 0.073 0.000 1.232 397 F HN 0.751 nan 8.300 nan 0.000 0.445 398 C N 4.229 122.901 119.300 -1.048 0.000 2.409 398 C HA 0.415 4.875 4.460 0.000 0.000 0.399 398 C C 1.533 176.045 174.990 -0.797 0.000 1.505 398 C CA 0.042 58.393 59.018 -1.111 0.000 1.435 398 C CB -1.189 26.084 27.740 -0.779 0.000 2.462 398 C HN 1.030 nan 8.230 nan 0.000 0.619 399 A N 3.255 125.738 122.820 -0.560 0.000 2.066 399 A HA 0.333 4.653 4.320 0.000 0.000 0.218 399 A C 2.201 179.695 177.584 -0.151 0.000 1.157 399 A CA 1.339 53.239 52.037 -0.228 0.000 0.670 399 A CB -0.373 18.506 19.000 -0.201 0.000 0.804 399 A HN 1.580 nan 8.150 nan 0.000 0.453 400 A N -1.907 120.794 122.820 -0.198 0.000 2.387 400 A HA 0.457 4.777 4.320 0.000 0.000 0.234 400 A C 1.631 179.123 177.584 -0.154 0.000 1.253 400 A CA 0.977 52.940 52.037 -0.123 0.000 0.894 400 A CB -0.722 18.229 19.000 -0.081 0.000 0.963 400 A HN 1.728 nan 8.150 nan 0.000 0.508 401 G N -1.200 107.458 108.800 -0.236 0.000 2.162 401 G HA2 -0.103 3.857 3.960 0.000 0.000 0.260 401 G HA3 -0.103 3.857 3.960 0.000 0.000 0.260 401 G C 0.667 175.423 174.900 -0.240 0.000 0.976 401 G CA 0.233 45.198 45.100 -0.225 0.000 0.655 401 G HN 1.455 nan 8.290 nan 0.000 0.533 402 G N 0.242 108.893 108.800 -0.250 0.000 2.351 402 G HA2 0.587 4.547 3.960 0.000 0.000 0.287 402 G HA3 0.587 4.547 3.960 0.000 0.000 0.287 402 G C 0.524 175.271 174.900 -0.254 0.000 1.159 402 G CA -0.554 44.416 45.100 -0.216 0.000 0.929 402 G HN 0.601 nan 8.290 nan 0.000 0.435 403 L N 1.766 122.761 121.223 -0.380 0.000 2.473 403 L HA 0.433 4.773 4.340 0.000 0.000 0.268 403 L C 1.570 178.232 176.870 -0.347 0.000 1.215 403 L CA 0.757 55.317 54.840 -0.466 0.000 0.823 403 L CB 0.811 42.340 42.059 -0.884 0.000 1.099 403 L HN 0.833 nan 8.230 nan 0.000 0.483 404 G N 1.084 109.822 108.800 -0.104 0.000 2.176 404 G HA2 -0.320 3.640 3.960 0.000 0.000 0.232 404 G HA3 -0.320 3.640 3.960 0.000 0.000 0.232 404 G C 0.302 175.254 174.900 0.086 0.000 0.986 404 G CA 0.359 45.504 45.100 0.075 0.000 0.643 404 G HN 0.643 nan 8.290 nan 0.000 0.522 405 F N 1.749 121.650 119.950 -0.082 0.000 2.147 405 F HA 0.473 5.000 4.527 0.000 0.000 0.291 405 F C 2.521 178.296 175.800 -0.043 0.000 1.093 405 F CA 2.129 60.081 58.000 -0.080 0.000 1.263 405 F CB -0.466 38.449 39.000 -0.141 0.000 1.036 405 F HN 0.243 nan 8.300 nan 0.000 0.481 406 A N 0.842 123.598 122.820 -0.107 0.000 1.930 406 A HA -0.105 4.215 4.320 0.000 0.000 0.217 406 A C 2.299 179.799 177.584 -0.141 0.000 1.175 406 A CA 1.588 53.497 52.037 -0.213 0.000 0.627 406 A CB -1.233 17.801 19.000 0.057 0.000 0.815 406 A HN 0.588 nan 8.150 nan 0.000 0.443 407 L N 0.206 121.427 121.223 -0.004 0.000 1.976 407 L HA -0.078 4.262 4.340 0.000 0.000 0.209 407 L C -0.413 176.500 176.870 0.072 0.000 1.071 407 L CA 1.905 56.819 54.840 0.123 0.000 0.746 407 L CB -0.763 41.347 42.059 0.084 0.000 0.890 407 L HN 0.253 nan 8.230 nan 0.000 0.432 408 P HA -0.146 nan 4.420 nan 0.000 0.216 408 P C 1.306 178.490 177.300 -0.192 0.000 1.153 408 P CA 1.976 65.028 63.100 -0.079 0.000 0.844 408 P CB -0.104 31.547 31.700 -0.083 0.000 0.787 409 A N 0.709 123.268 122.820 -0.435 0.000 1.972 409 A HA -0.070 4.250 4.320 0.000 0.000 0.219 409 A C 2.484 179.836 177.584 -0.387 0.000 1.169 409 A CA 2.079 53.758 52.037 -0.596 0.000 0.635 409 A CB -1.532 16.634 19.000 -1.390 0.000 0.810 409 A HN 0.234 nan 8.150 nan 0.000 0.446 410 A N -0.138 122.522 122.820 -0.268 0.000 1.972 410 A HA -0.046 4.274 4.320 0.000 0.000 0.219 410 A C 2.052 179.555 177.584 -0.135 0.000 1.169 410 A CA 1.426 53.351 52.037 -0.187 0.000 0.635 410 A CB -0.552 18.354 19.000 -0.156 0.000 0.810 410 A HN 0.527 nan 8.150 nan 0.000 0.446 411 I N -0.533 120.008 120.570 -0.048 0.000 2.202 411 I HA -0.150 4.020 4.170 0.000 0.000 0.242 411 I C 2.717 178.824 176.117 -0.017 0.000 1.091 411 I CA 1.092 62.396 61.300 0.007 0.000 1.368 411 I CB -0.652 37.401 38.000 0.088 0.000 1.058 411 I HN 0.369 nan 8.210 nan 0.000 0.410 412 G N 0.614 109.376 108.800 -0.064 0.000 2.418 412 G HA2 -0.174 3.786 3.960 0.000 0.000 0.217 412 G HA3 -0.174 3.786 3.960 0.000 0.000 0.217 412 G C 1.727 176.638 174.900 0.019 0.000 1.158 412 G CA 0.836 45.925 45.100 -0.018 0.000 0.771 412 G HN 0.225 nan 8.290 nan 0.000 0.545 413 V N 0.598 120.438 119.914 -0.124 0.000 2.343 413 V HA -0.232 3.888 4.120 0.000 0.000 0.247 413 V C 2.778 178.838 176.094 -0.057 0.000 1.051 413 V CA 2.304 64.517 62.300 -0.146 0.000 1.036 413 V CB -0.446 31.234 31.823 -0.239 0.000 0.654 413 V HN 0.437 nan 8.190 nan 0.000 0.451 414 Q N -0.264 119.504 119.800 -0.053 0.000 2.167 414 Q HA -0.177 4.163 4.340 0.000 0.000 0.202 414 Q C 1.926 177.939 176.000 0.022 0.000 0.970 414 Q CA 1.673 57.455 55.803 -0.035 0.000 0.855 414 Q CB -0.478 28.220 28.738 -0.066 0.000 0.911 414 Q HN 0.552 nan 8.270 nan 0.000 0.438 415 L N -0.122 121.148 121.223 0.079 0.000 2.093 415 L HA 0.000 4.340 4.340 0.000 0.000 0.208 415 L C 2.030 179.044 176.870 0.241 0.000 1.085 415 L CA 2.057 56.988 54.840 0.152 0.000 0.755 415 L CB -0.882 41.281 42.059 0.173 0.000 0.904 415 L HN 0.245 nan 8.230 nan 0.000 0.435 416 A N -1.457 121.496 122.820 0.222 0.000 1.969 416 A HA -0.064 4.256 4.320 0.000 0.000 0.218 416 A C 1.179 178.754 177.584 -0.014 0.000 1.169 416 A CA 1.230 53.270 52.037 0.005 0.000 0.635 416 A CB -0.230 18.619 19.000 -0.253 0.000 0.810 416 A HN 0.451 nan 8.150 nan 0.000 0.445 417 E N -0.641 119.557 120.200 -0.003 0.000 3.568 417 E HA 0.163 4.513 4.350 0.000 0.000 0.213 417 E C -2.172 174.423 176.600 -0.009 0.000 1.197 417 E CA -1.578 54.814 56.400 -0.014 0.000 1.126 417 E CB 0.860 30.546 29.700 -0.022 0.000 1.285 417 E HN 0.406 nan 8.360 nan 0.000 0.418 418 P HA -0.110 nan 4.420 nan 0.000 0.222 418 P C 0.673 177.965 177.300 -0.012 0.000 1.147 418 P CA 0.968 64.069 63.100 0.002 0.000 0.790 418 P CB 0.525 32.234 31.700 0.015 0.000 0.780 419 E N -0.504 119.687 120.200 -0.015 0.000 2.478 419 E HA 0.053 4.403 4.350 0.000 0.000 0.194 419 E C 0.588 177.169 176.600 -0.032 0.000 1.045 419 E CA 0.093 56.481 56.400 -0.021 0.000 0.868 419 E CB 0.114 29.803 29.700 -0.017 0.000 0.885 419 E HN 0.335 nan 8.360 nan 0.000 0.505 420 R N 1.677 122.154 120.500 -0.040 0.000 2.310 420 R HA 0.191 4.531 4.340 0.000 0.000 0.324 420 R C -0.457 175.795 176.300 -0.081 0.000 0.955 420 R CA -0.644 55.421 56.100 -0.057 0.000 0.830 420 R CB 1.264 31.534 30.300 -0.050 0.000 1.154 420 R HN -0.090 nan 8.270 nan 0.000 0.458 421 Q N 2.492 122.232 119.800 -0.100 0.000 2.271 421 Q HA 0.102 4.442 4.340 0.000 0.000 0.273 421 Q C -0.839 175.053 176.000 -0.180 0.000 1.051 421 Q CA 0.151 55.879 55.803 -0.124 0.000 0.901 421 Q CB 0.954 29.623 28.738 -0.115 0.000 1.174 421 Q HN 0.375 nan 8.270 nan 0.000 0.385 422 V N 6.751 126.559 119.914 -0.177 0.000 2.465 422 V HA 0.403 4.523 4.120 0.000 0.000 0.279 422 V C 0.113 176.060 176.094 -0.244 0.000 1.045 422 V CA -0.400 61.774 62.300 -0.210 0.000 0.938 422 V CB 1.031 32.744 31.823 -0.183 0.000 0.986 422 V HN 0.729 nan 8.190 nan 0.000 0.467 423 I N 4.194 124.620 120.570 -0.241 0.000 2.439 423 I HA 0.597 4.767 4.170 0.000 0.000 0.283 423 I C 0.115 176.212 176.117 -0.033 0.000 1.023 423 I CA -0.535 60.677 61.300 -0.148 0.000 1.100 423 I CB 1.760 39.711 38.000 -0.083 0.000 1.238 423 I HN 0.639 nan 8.210 nan 0.000 0.445 424 A N 6.677 129.453 122.820 -0.073 0.000 2.260 424 A HA 0.693 5.013 4.320 0.000 0.000 0.308 424 A C -0.406 177.251 177.584 0.121 0.000 1.254 424 A CA -0.425 51.630 52.037 0.030 0.000 0.874 424 A CB 0.773 19.776 19.000 0.006 0.000 1.153 424 A HN 0.465 nan 8.150 nan 0.000 0.527 425 V N 5.053 125.073 119.914 0.177 0.000 2.311 425 V HA 0.371 4.491 4.120 0.000 0.000 0.275 425 V C -0.272 175.930 176.094 0.180 0.000 1.022 425 V CA 0.071 62.485 62.300 0.191 0.000 0.830 425 V CB 0.200 32.200 31.823 0.296 0.000 1.012 425 V HN 0.720 nan 8.190 nan 0.000 0.452 426 I N 3.664 124.313 120.570 0.130 0.000 2.466 426 I HA 0.567 4.737 4.170 0.000 0.000 0.289 426 I C 0.950 177.107 176.117 0.067 0.000 1.026 426 I CA -0.518 60.853 61.300 0.119 0.000 1.078 426 I CB 2.043 40.114 38.000 0.119 0.000 1.249 426 I HN 0.645 nan 8.210 nan 0.000 0.429 427 G N 3.071 111.936 108.800 0.108 0.000 2.594 427 G HA2 0.046 4.006 3.960 0.000 0.000 0.243 427 G HA3 0.046 4.006 3.960 0.000 0.000 0.243 427 G C 0.850 175.776 174.900 0.044 0.000 1.229 427 G CA -0.261 44.895 45.100 0.093 0.000 0.843 427 G HN 0.828 nan 8.290 nan 0.000 0.578 428 D N 0.480 120.886 120.400 0.009 0.000 2.178 428 D HA -0.114 4.526 4.640 0.000 0.000 0.201 428 D C 2.130 178.603 176.300 0.290 0.000 0.980 428 D CA 1.341 55.354 54.000 0.022 0.000 0.842 428 D CB -0.773 40.122 40.800 0.159 0.000 0.948 428 D HN 0.465 nan 8.370 nan 0.000 0.472 429 G N 0.517 109.512 108.800 0.326 0.000 2.414 429 G HA2 -0.226 3.734 3.960 0.000 0.000 0.215 429 G HA3 -0.226 3.734 3.960 0.000 0.000 0.215 429 G C 1.865 177.103 174.900 0.564 0.000 1.188 429 G CA 1.013 46.429 45.100 0.526 0.000 0.783 429 G HN 0.345 nan 8.290 nan 0.000 0.537 430 S N 1.136 117.109 115.700 0.456 0.000 2.399 430 S HA -0.016 4.454 4.470 0.000 0.000 0.231 430 S C 2.693 177.535 174.600 0.405 0.000 1.022 430 S CA 1.073 59.529 58.200 0.426 0.000 0.983 430 S CB -0.305 63.026 63.200 0.218 0.000 0.803 430 S HN 0.581 nan 8.310 nan 0.000 0.480 431 A N 2.495 125.486 122.820 0.286 0.000 2.019 431 A HA -0.120 4.200 4.320 0.000 0.000 0.219 431 A C 1.847 179.595 177.584 0.273 0.000 1.164 431 A CA 1.227 53.403 52.037 0.231 0.000 0.644 431 A CB -0.447 18.639 19.000 0.142 0.000 0.805 431 A HN 0.491 nan 8.150 nan 0.000 0.449 432 N N -1.326 117.544 118.700 0.284 0.000 2.354 432 N HA -0.102 4.638 4.740 0.000 0.000 0.179 432 N C 1.327 176.887 175.510 0.083 0.000 1.021 432 N CA 1.121 54.258 53.050 0.146 0.000 0.887 432 N CB -0.393 38.114 38.487 0.034 0.000 0.974 432 N HN 0.641 nan 8.380 nan 0.000 0.437 433 Y N 1.315 121.686 120.300 0.119 0.000 2.165 433 Y HA -0.040 4.510 4.550 0.000 0.000 0.286 433 Y C 1.528 177.465 175.900 0.061 0.000 1.155 433 Y CA 0.979 59.130 58.100 0.086 0.000 1.164 433 Y CB 0.064 38.570 38.460 0.077 0.000 0.978 433 Y HN -0.089 nan 8.280 nan 0.000 0.513 434 S N -0.678 115.144 115.700 0.202 0.000 2.668 434 S HA 0.137 4.607 4.470 0.000 0.000 0.244 434 S C 1.144 175.773 174.600 0.049 0.000 1.140 434 S CA -0.302 57.959 58.200 0.102 0.000 1.134 434 S CB -0.093 63.156 63.200 0.082 0.000 0.954 434 S HN 0.223 nan 8.310 nan 0.000 0.490 435 I N 2.790 123.401 120.570 0.068 0.000 2.264 435 I HA -0.175 3.995 4.170 0.000 0.000 0.248 435 I C 2.315 178.399 176.117 -0.055 0.000 1.111 435 I CA 1.711 63.049 61.300 0.063 0.000 1.382 435 I CB -0.252 37.838 38.000 0.150 0.000 1.060 435 I HN 0.458 nan 8.210 nan 0.000 0.418 436 S N 0.545 116.160 115.700 -0.142 0.000 2.507 436 S HA -0.017 4.453 4.470 0.000 0.000 0.235 436 S C 2.164 176.525 174.600 -0.399 0.000 0.988 436 S CA 0.591 58.472 58.200 -0.531 0.000 0.944 436 S CB -0.888 62.111 63.200 -0.336 0.000 0.762 436 S HN 0.480 nan 8.310 nan 0.000 0.526 437 A N 2.137 124.854 122.820 -0.171 0.000 2.024 437 A HA 0.096 4.416 4.320 0.000 0.000 0.220 437 A C 2.158 179.702 177.584 -0.066 0.000 1.164 437 A CA 1.208 53.205 52.037 -0.068 0.000 0.643 437 A CB -0.851 18.132 19.000 -0.029 0.000 0.806 437 A HN 0.578 nan 8.150 nan 0.000 0.451 438 L N -2.542 118.574 121.223 -0.178 0.000 2.089 438 L HA -0.261 4.079 4.340 0.000 0.000 0.213 438 L C 2.449 179.329 176.870 0.018 0.000 1.079 438 L CA 1.854 56.607 54.840 -0.145 0.000 0.758 438 L CB -0.498 41.489 42.059 -0.119 0.000 0.891 438 L HN 0.787 nan 8.230 nan 0.000 0.433 439 W N 0.858 122.019 121.300 -0.232 0.000 2.342 439 W HA -0.227 4.433 4.660 0.000 0.000 0.297 439 W C 2.512 179.050 176.519 0.032 0.000 1.213 439 W CA 2.134 59.435 57.345 -0.073 0.000 1.251 439 W CB -0.273 29.085 29.460 -0.169 0.000 1.136 439 W HN -0.026 nan 8.180 nan 0.000 0.526 440 T N 0.461 115.143 114.554 0.213 0.000 2.746 440 T HA -0.189 4.161 4.350 0.000 0.000 0.267 440 T C 1.967 176.732 174.700 0.109 0.000 1.039 440 T CA 1.866 64.075 62.100 0.180 0.000 1.142 440 T CB -0.898 68.115 68.868 0.242 0.000 0.866 440 T HN 0.258 nan 8.240 nan 0.000 0.444 441 A N 1.552 124.432 122.820 0.100 0.000 1.883 441 A HA 0.089 4.409 4.320 0.000 0.000 0.217 441 A C 2.648 180.253 177.584 0.035 0.000 1.186 441 A CA 1.949 54.059 52.037 0.121 0.000 0.624 441 A CB -1.156 17.988 19.000 0.240 0.000 0.822 441 A HN 0.513 nan 8.150 nan 0.000 0.444 442 A N -1.351 121.440 122.820 -0.048 0.000 1.877 442 A HA -0.173 4.147 4.320 0.000 0.000 0.216 442 A C 2.148 179.580 177.584 -0.252 0.000 1.186 442 A CA 1.653 53.618 52.037 -0.120 0.000 0.620 442 A CB -0.483 18.445 19.000 -0.121 0.000 0.822 442 A HN 0.489 nan 8.150 nan 0.000 0.443 443 Q N -1.474 118.029 119.800 -0.495 0.000 2.119 443 Q HA -0.109 4.231 4.340 0.000 0.000 0.201 443 Q C 1.305 176.973 176.000 -0.553 0.000 0.972 443 Q CA 1.396 56.790 55.803 -0.681 0.000 0.847 443 Q CB -0.273 27.702 28.738 -1.271 0.000 0.903 443 Q HN 0.881 nan 8.270 nan 0.000 0.433 444 Y N -0.030 120.139 120.300 -0.217 0.000 2.457 444 Y HA 0.089 4.639 4.550 0.000 0.000 0.263 444 Y C 0.437 176.290 175.900 -0.078 0.000 1.164 444 Y CA -0.173 57.855 58.100 -0.120 0.000 1.274 444 Y CB 0.132 38.539 38.460 -0.087 0.000 1.097 444 Y HN 0.135 nan 8.280 nan 0.000 0.523 445 N N 1.108 119.816 118.700 0.014 0.000 2.714 445 N HA -0.220 4.520 4.740 0.000 0.000 0.253 445 N C -1.177 174.360 175.510 0.044 0.000 1.024 445 N CA 0.276 53.334 53.050 0.013 0.000 0.726 445 N CB -1.340 37.143 38.487 -0.007 0.000 0.908 445 N HN 0.349 nan 8.380 nan 0.000 0.542 446 I N 1.193 121.802 120.570 0.066 0.000 2.291 446 I HA 0.230 4.400 4.170 0.000 0.000 0.292 446 I C -1.465 174.673 176.117 0.036 0.000 1.064 446 I CA -1.778 59.554 61.300 0.054 0.000 1.269 446 I CB 1.240 39.280 38.000 0.066 0.000 1.418 446 I HN 0.082 nan 8.210 nan 0.000 0.485 447 P HA 0.080 nan 4.420 nan 0.000 0.220 447 P C -0.135 177.120 177.300 -0.076 0.000 1.793 447 P CA -0.273 62.819 63.100 -0.012 0.000 0.917 447 P CB -0.421 31.270 31.700 -0.015 0.000 1.755 448 T N 1.492 115.966 114.554 -0.134 0.000 2.940 448 T HA 0.165 4.515 4.350 0.000 0.000 0.309 448 T C 0.812 175.242 174.700 -0.449 0.000 1.056 448 T CA 0.509 62.391 62.100 -0.364 0.000 1.137 448 T CB 0.556 69.066 68.868 -0.597 0.000 0.976 448 T HN 0.101 nan 8.240 nan 0.000 0.547 449 I N 2.983 123.284 120.570 -0.447 0.000 2.336 449 I HA 0.366 4.536 4.170 0.000 0.000 0.292 449 I C -0.697 175.165 176.117 -0.425 0.000 0.991 449 I CA -0.587 60.540 61.300 -0.288 0.000 1.227 449 I CB 0.825 38.750 38.000 -0.124 0.000 1.366 449 I HN 0.501 nan 8.210 nan 0.000 0.466 450 F N 5.715 125.677 119.950 0.021 0.000 2.402 450 F HA 0.423 4.950 4.527 0.000 0.000 0.355 450 F C -0.048 175.760 175.800 0.013 0.000 1.123 450 F CA -0.891 57.121 58.000 0.020 0.000 1.021 450 F CB 1.453 40.469 39.000 0.026 0.000 1.160 450 F HN 0.012 nan 8.300 nan 0.000 0.451 451 V N 5.620 125.623 119.914 0.148 0.000 2.311 451 V HA 0.303 4.423 4.120 0.000 0.000 0.275 451 V C -0.013 176.101 176.094 0.034 0.000 1.022 451 V CA -0.599 61.745 62.300 0.074 0.000 0.830 451 V CB 0.787 32.641 31.823 0.052 0.000 1.012 451 V HN 0.423 nan 8.190 nan 0.000 0.452 452 I N 5.998 126.547 120.570 -0.034 0.000 2.312 452 I HA 0.334 4.504 4.170 0.000 0.000 0.291 452 I C 0.238 176.265 176.117 -0.150 0.000 1.031 452 I CA -0.449 60.748 61.300 -0.171 0.000 1.293 452 I CB 1.339 39.076 38.000 -0.438 0.000 1.403 452 I HN 0.448 nan 8.210 nan 0.000 0.484 453 M N 5.729 125.265 119.600 -0.107 0.000 2.319 453 M HA 0.150 4.630 4.480 0.000 0.000 0.343 453 M C 0.114 176.381 176.300 -0.055 0.000 1.364 453 M CA -0.108 55.154 55.300 -0.063 0.000 1.292 453 M CB -0.669 31.920 32.600 -0.018 0.000 1.432 453 M HN 0.359 nan 8.290 nan 0.000 0.448 454 N N 3.632 122.304 118.700 -0.045 0.000 2.527 454 N HA 0.152 4.892 4.740 0.000 0.000 0.236 454 N C 0.136 175.672 175.510 0.042 0.000 0.999 454 N CA -0.114 52.943 53.050 0.012 0.000 0.935 454 N CB 0.450 38.975 38.487 0.064 0.000 1.132 454 N HN 0.459 nan 8.380 nan 0.000 0.511 455 N N 2.434 121.169 118.700 0.058 0.000 2.184 455 N HA 0.175 4.915 4.740 0.000 0.000 0.206 455 N C 0.998 176.546 175.510 0.062 0.000 1.151 455 N CA 0.272 53.355 53.050 0.056 0.000 0.878 455 N CB 0.138 38.662 38.487 0.062 0.000 1.014 455 N HN 0.492 nan 8.380 nan 0.000 0.512 456 G N -1.337 107.506 108.800 0.072 0.000 2.179 456 G HA2 -0.251 3.709 3.960 0.000 0.000 0.260 456 G HA3 -0.251 3.709 3.960 0.000 0.000 0.260 456 G C 0.032 174.939 174.900 0.010 0.000 0.977 456 G CA 0.747 45.876 45.100 0.048 0.000 0.641 456 G HN 0.781 nan 8.290 nan 0.000 0.533 457 T N -1.488 113.085 114.554 0.031 0.000 2.843 457 T HA 0.548 4.899 4.350 0.000 0.000 0.302 457 T C -1.196 173.572 174.700 0.114 0.000 1.232 457 T CA -0.553 61.560 62.100 0.022 0.000 1.009 457 T CB 0.921 69.836 68.868 0.079 0.000 1.254 457 T HN 0.273 nan 8.240 nan 0.000 0.504 458 Y N 2.538 122.924 120.300 0.144 0.000 2.570 458 Y HA 0.315 4.865 4.550 0.000 0.000 0.336 458 Y C 1.648 177.653 175.900 0.176 0.000 1.284 458 Y CA -0.663 57.537 58.100 0.167 0.000 1.761 458 Y CB -0.214 38.349 38.460 0.172 0.000 1.724 458 Y HN 0.830 nan 8.280 nan 0.000 0.455 459 G N 1.216 110.202 108.800 0.310 0.000 2.422 459 G HA2 -0.267 3.693 3.960 0.000 0.000 0.218 459 G HA3 -0.267 3.693 3.960 0.000 0.000 0.218 459 G C 1.783 176.859 174.900 0.293 0.000 1.146 459 G CA 0.891 46.147 45.100 0.260 0.000 0.769 459 G HN 0.621 nan 8.290 nan 0.000 0.547 460 A N 0.336 123.320 122.820 0.274 0.000 1.969 460 A HA 0.171 4.491 4.320 0.000 0.000 0.218 460 A C 2.393 180.211 177.584 0.391 0.000 1.169 460 A CA 1.033 53.238 52.037 0.279 0.000 0.635 460 A CB -0.262 18.854 19.000 0.194 0.000 0.810 460 A HN 0.368 nan 8.150 nan 0.000 0.445 461 L N -1.425 120.004 121.223 0.343 0.000 2.109 461 L HA -0.092 4.248 4.340 0.000 0.000 0.207 461 L C 2.787 179.854 176.870 0.327 0.000 1.086 461 L CA 0.939 55.989 54.840 0.349 0.000 0.760 461 L CB -0.477 41.749 42.059 0.278 0.000 0.910 461 L HN 0.336 nan 8.230 nan 0.000 0.437 462 R N -0.738 119.941 120.500 0.299 0.000 2.096 462 R HA -0.233 4.107 4.340 0.000 0.000 0.235 462 R C 2.107 178.555 176.300 0.247 0.000 1.127 462 R CA 2.053 58.292 56.100 0.232 0.000 0.968 462 R CB -0.440 29.985 30.300 0.209 0.000 0.861 462 R HN 0.411 nan 8.270 nan 0.000 0.440 463 W N 0.573 121.965 121.300 0.154 0.000 2.354 463 W HA -0.240 4.420 4.660 0.000 0.000 0.315 463 W C 1.894 178.527 176.519 0.189 0.000 1.206 463 W CA 1.203 58.636 57.345 0.148 0.000 1.290 463 W CB -0.461 29.087 29.460 0.146 0.000 1.152 463 W HN -0.007 nan 8.180 nan 0.000 0.489 464 F N 1.369 121.507 119.950 0.312 0.000 2.216 464 F HA -0.105 4.422 4.527 0.000 0.000 0.300 464 F C 2.186 177.928 175.800 -0.097 0.000 1.085 464 F CA 1.908 59.942 58.000 0.057 0.000 1.326 464 F CB -1.111 38.039 39.000 0.251 0.000 1.027 464 F HN -0.042 nan 8.300 nan 0.000 0.497 465 A N -0.022 122.751 122.820 -0.078 0.000 1.930 465 A HA -0.002 4.318 4.320 0.000 0.000 0.217 465 A C 2.532 179.970 177.584 -0.242 0.000 1.175 465 A CA 1.493 53.413 52.037 -0.194 0.000 0.627 465 A CB -1.674 17.301 19.000 -0.043 0.000 0.815 465 A HN 0.458 nan 8.150 nan 0.000 0.443 466 G N -0.683 107.980 108.800 -0.229 0.000 2.408 466 G HA2 -0.055 3.905 3.960 0.000 0.000 0.217 466 G HA3 -0.055 3.905 3.960 0.000 0.000 0.217 466 G C 1.448 176.142 174.900 -0.344 0.000 1.150 466 G CA 1.096 46.045 45.100 -0.253 0.000 0.776 466 G HN 0.298 nan 8.290 nan 0.000 0.542 467 V N 0.968 120.576 119.914 -0.510 0.000 2.407 467 V HA -0.079 4.041 4.120 0.000 0.000 0.248 467 V C 2.754 178.646 176.094 -0.337 0.000 1.055 467 V CA 1.206 63.231 62.300 -0.459 0.000 1.049 467 V CB -0.278 31.206 31.823 -0.566 0.000 0.662 467 V HN 0.352 nan 8.190 nan 0.000 0.455 468 L N -0.533 120.425 121.223 -0.440 0.000 2.478 468 L HA 0.001 4.341 4.340 0.000 0.000 0.223 468 L C 1.109 177.839 176.870 -0.233 0.000 1.140 468 L CA 0.547 55.165 54.840 -0.371 0.000 0.842 468 L CB -0.673 41.085 42.059 -0.502 0.000 0.953 468 L HN 0.425 nan 8.230 nan 0.000 0.452 469 E N -0.698 119.380 120.200 -0.203 0.000 2.440 469 E HA -0.232 4.118 4.350 0.000 0.000 0.246 469 E C 0.279 176.806 176.600 -0.122 0.000 1.165 469 E CA 0.221 56.538 56.400 -0.138 0.000 0.726 469 E CB -1.251 28.385 29.700 -0.107 0.000 1.271 469 E HN 0.510 nan 8.360 nan 0.000 0.397 470 A N 1.463 124.195 122.820 -0.147 0.000 2.302 470 A HA 0.313 4.633 4.320 0.000 0.000 0.295 470 A C 0.411 177.951 177.584 -0.073 0.000 1.235 470 A CA -0.272 51.696 52.037 -0.115 0.000 0.876 470 A CB 0.503 19.415 19.000 -0.147 0.000 1.133 470 A HN 0.187 nan 8.150 nan 0.000 0.533 471 E N 1.613 121.783 120.200 -0.051 0.000 2.243 471 E HA 0.267 4.617 4.350 0.000 0.000 0.260 471 E C -0.440 176.151 176.600 -0.016 0.000 0.985 471 E CA -1.002 55.380 56.400 -0.029 0.000 0.858 471 E CB 0.691 30.375 29.700 -0.027 0.000 1.210 471 E HN 0.693 nan 8.360 nan 0.000 0.411 472 N N -0.247 118.451 118.700 -0.004 0.000 2.740 472 N HA -0.148 4.592 4.740 0.000 0.000 0.248 472 N C -0.936 174.581 175.510 0.012 0.000 1.062 472 N CA 0.406 53.459 53.050 0.005 0.000 0.704 472 N CB -1.302 37.186 38.487 0.001 0.000 0.968 472 N HN 0.133 nan 8.380 nan 0.000 0.547 473 V N 1.827 121.752 119.914 0.019 0.000 2.406 473 V HA 0.325 4.445 4.120 0.000 0.000 0.272 473 V C -0.860 175.265 176.094 0.052 0.000 1.043 473 V CA -0.950 61.371 62.300 0.035 0.000 0.915 473 V CB 1.250 33.098 31.823 0.042 0.000 0.988 473 V HN 0.152 nan 8.190 nan 0.000 0.466 474 P HA 0.404 nan 4.420 nan 0.000 0.278 474 P C 0.613 177.971 177.300 0.095 0.000 1.266 474 P CA 0.285 63.423 63.100 0.063 0.000 0.807 474 P CB 1.096 32.828 31.700 0.052 0.000 1.094 475 G N -0.100 108.758 108.800 0.097 0.000 2.147 475 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 475 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 475 G C 0.459 175.487 174.900 0.214 0.000 1.005 475 G CA 0.271 45.454 45.100 0.138 0.000 0.713 475 G HN 0.476 nan 8.290 nan 0.000 0.515 476 L N -0.563 120.758 121.223 0.164 0.000 2.585 476 L HA 0.308 4.648 4.340 0.000 0.000 0.226 476 L C 0.136 177.034 176.870 0.046 0.000 1.113 476 L CA 0.022 54.997 54.840 0.224 0.000 0.876 476 L CB 0.107 42.288 42.059 0.203 0.000 1.072 476 L HN 0.079 nan 8.230 nan 0.000 0.468 477 D N 0.538 120.911 120.400 -0.045 0.000 2.350 477 D HA 0.341 4.981 4.640 0.000 0.000 0.245 477 D C 0.005 176.186 176.300 -0.198 0.000 1.036 477 D CA -0.081 53.855 54.000 -0.107 0.000 0.848 477 D CB 3.115 43.896 40.800 -0.031 0.000 1.307 477 D HN -0.194 nan 8.370 nan 0.000 0.469 478 V N -0.634 119.147 119.914 -0.221 0.000 2.572 478 V HA 0.351 4.471 4.120 0.000 0.000 0.274 478 V C -2.484 173.560 176.094 -0.083 0.000 1.075 478 V CA -1.394 60.785 62.300 -0.202 0.000 1.237 478 V CB 0.370 32.002 31.823 -0.319 0.000 1.517 478 V HN 0.303 nan 8.190 nan 0.000 0.616 479 P HA 0.376 nan 4.420 nan 0.000 0.272 479 P C 0.862 178.137 177.300 -0.042 0.000 1.240 479 P CA 1.283 64.365 63.100 -0.029 0.000 0.791 479 P CB 1.224 32.910 31.700 -0.023 0.000 0.978 480 G N 0.576 109.353 108.800 -0.038 0.000 2.171 480 G HA2 -0.177 3.783 3.960 0.000 0.000 0.238 480 G HA3 -0.177 3.783 3.960 0.000 0.000 0.238 480 G C -0.175 174.656 174.900 -0.114 0.000 1.039 480 G CA -0.235 44.828 45.100 -0.061 0.000 0.759 480 G HN 0.491 nan 8.290 nan 0.000 0.501 481 I N 0.608 121.082 120.570 -0.160 0.000 2.362 481 I HA 0.331 4.501 4.170 0.000 0.000 0.289 481 I C -0.640 175.221 176.117 -0.427 0.000 0.994 481 I CA -0.835 60.240 61.300 -0.375 0.000 1.158 481 I CB 1.784 39.439 38.000 -0.576 0.000 1.315 481 I HN 0.039 nan 8.210 nan 0.000 0.451 482 D N 6.226 126.402 120.400 -0.373 0.000 2.467 482 D HA 0.219 4.859 4.640 0.000 0.000 0.220 482 D C 0.450 176.601 176.300 -0.248 0.000 1.103 482 D CA -0.317 53.557 54.000 -0.210 0.000 0.886 482 D CB 0.583 41.317 40.800 -0.110 0.000 1.025 482 D HN 0.293 nan 8.370 nan 0.000 0.514 483 F N 1.973 121.932 119.950 0.014 0.000 2.407 483 F HA 0.080 4.607 4.527 0.000 0.000 0.299 483 F C 2.374 178.186 175.800 0.021 0.000 1.097 483 F CA 0.409 58.421 58.000 0.021 0.000 1.422 483 F CB 0.033 39.053 39.000 0.033 0.000 1.067 483 F HN 0.255 nan 8.300 nan 0.000 0.539 484 R N 0.078 120.672 120.500 0.156 0.000 2.092 484 R HA -0.098 4.242 4.340 0.000 0.000 0.231 484 R C 2.437 178.766 176.300 0.048 0.000 1.119 484 R CA 1.158 57.317 56.100 0.098 0.000 0.970 484 R CB -0.675 29.668 30.300 0.072 0.000 0.864 484 R HN 0.281 nan 8.270 nan 0.000 0.440 485 A N 1.197 124.021 122.820 0.007 0.000 1.898 485 A HA -0.088 4.232 4.320 0.000 0.000 0.216 485 A C 2.164 179.722 177.584 -0.043 0.000 1.181 485 A CA 0.963 52.983 52.037 -0.028 0.000 0.620 485 A CB -0.431 18.535 19.000 -0.057 0.000 0.819 485 A HN 0.151 nan 8.150 nan 0.000 0.442 486 L N -0.710 120.490 121.223 -0.037 0.000 2.046 486 L HA -0.211 4.129 4.340 0.000 0.000 0.208 486 L C 3.116 180.014 176.870 0.046 0.000 1.077 486 L CA 1.107 55.936 54.840 -0.019 0.000 0.747 486 L CB -0.637 41.438 42.059 0.027 0.000 0.896 486 L HN 0.440 nan 8.230 nan 0.000 0.432 487 A N 0.245 123.119 122.820 0.089 0.000 1.883 487 A HA -0.275 4.045 4.320 0.000 0.000 0.217 487 A C 2.411 180.042 177.584 0.079 0.000 1.186 487 A CA 2.104 54.202 52.037 0.101 0.000 0.624 487 A CB -0.516 18.543 19.000 0.099 0.000 0.822 487 A HN 0.355 nan 8.150 nan 0.000 0.444 488 K N -0.597 119.827 120.400 0.039 0.000 2.063 488 K HA -0.143 4.177 4.320 0.000 0.000 0.208 488 K C 2.035 178.629 176.600 -0.010 0.000 1.048 488 K CA 1.571 57.870 56.287 0.019 0.000 0.928 488 K CB -0.641 31.860 32.500 0.002 0.000 0.713 488 K HN 0.382 nan 8.250 nan 0.000 0.442 489 G N -0.216 108.532 108.800 -0.087 0.000 2.469 489 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 489 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 489 G C 0.767 175.525 174.900 -0.235 0.000 1.136 489 G CA 0.975 45.934 45.100 -0.235 0.000 0.759 489 G HN 0.375 nan 8.290 nan 0.000 0.562 490 Y N 0.111 120.472 120.300 0.102 0.000 2.524 490 Y HA 0.406 4.956 4.550 0.000 0.000 0.266 490 Y C 1.853 177.840 175.900 0.145 0.000 1.180 490 Y CA -0.696 57.518 58.100 0.191 0.000 1.244 490 Y CB 0.330 38.900 38.460 0.184 0.000 1.125 490 Y HN 0.297 nan 8.280 nan 0.000 0.524 491 G N 0.184 109.096 108.800 0.185 0.000 2.136 491 G HA2 -0.228 3.732 3.960 0.000 0.000 0.242 491 G HA3 -0.228 3.732 3.960 0.000 0.000 0.242 491 G C -0.381 174.565 174.900 0.076 0.000 0.989 491 G CA 0.180 45.343 45.100 0.105 0.000 0.682 491 G HN 0.108 nan 8.290 nan 0.000 0.522 492 V N 1.059 121.031 119.914 0.097 0.000 2.427 492 V HA 0.445 4.565 4.120 0.000 0.000 0.286 492 V C 0.907 177.052 176.094 0.084 0.000 1.034 492 V CA -0.517 61.839 62.300 0.094 0.000 0.893 492 V CB 1.798 33.684 31.823 0.105 0.000 0.982 492 V HN 0.539 nan 8.190 nan 0.000 0.452 493 Q N 2.888 122.735 119.800 0.078 0.000 2.304 493 Q HA 0.379 4.719 4.340 0.000 0.000 0.301 493 Q C -0.237 175.813 176.000 0.083 0.000 1.063 493 Q CA 0.191 56.035 55.803 0.069 0.000 0.947 493 Q CB 0.705 29.478 28.738 0.059 0.000 1.201 493 Q HN 0.938 nan 8.270 nan 0.000 0.389 494 A N 4.973 127.835 122.820 0.070 0.000 2.386 494 A HA 0.764 5.084 4.320 0.000 0.000 0.311 494 A C -1.421 176.202 177.584 0.065 0.000 1.068 494 A CA -0.727 51.357 52.037 0.078 0.000 0.743 494 A CB 1.157 20.204 19.000 0.079 0.000 1.258 494 A HN 0.736 nan 8.150 nan 0.000 0.429 495 L N 0.705 121.969 121.223 0.069 0.000 2.350 495 L HA 0.681 5.021 4.340 0.000 0.000 0.260 495 L C -0.350 176.555 176.870 0.058 0.000 1.015 495 L CA -0.811 54.063 54.840 0.055 0.000 0.821 495 L CB 2.589 44.677 42.059 0.049 0.000 1.370 495 L HN 0.784 nan 8.230 nan 0.000 0.416 496 K N 0.990 121.419 120.400 0.047 0.000 2.316 496 K HA 0.832 5.152 4.320 0.000 0.000 0.251 496 K C -1.347 175.273 176.600 0.032 0.000 0.934 496 K CA -0.392 55.923 56.287 0.046 0.000 0.802 496 K CB 2.175 34.704 32.500 0.047 0.000 1.171 496 K HN 0.659 nan 8.250 nan 0.000 0.426 497 A N 3.495 126.331 122.820 0.026 0.000 2.409 497 A HA 0.310 4.630 4.320 0.000 0.000 0.300 497 A C -0.686 176.904 177.584 0.010 0.000 1.273 497 A CA -0.599 51.447 52.037 0.015 0.000 0.774 497 A CB 0.584 19.590 19.000 0.009 0.000 1.144 497 A HN 0.876 nan 8.150 nan 0.000 0.472 498 D N 1.024 121.430 120.400 0.010 0.000 2.367 498 D HA 0.055 4.695 4.640 0.000 0.000 0.207 498 D C 0.141 176.440 176.300 -0.002 0.000 1.034 498 D CA 0.962 54.965 54.000 0.006 0.000 0.861 498 D CB 0.440 41.245 40.800 0.010 0.000 0.943 498 D HN 0.790 nan 8.370 nan 0.000 0.515 499 N N -1.193 117.506 118.700 -0.000 0.000 3.039 499 N HA 0.050 4.790 4.740 0.000 0.000 0.257 499 N C 0.197 175.709 175.510 0.002 0.000 1.497 499 N CA -0.718 52.331 53.050 -0.001 0.000 0.861 499 N CB 0.972 39.462 38.487 0.004 0.000 1.479 499 N HN -0.213 nan 8.380 nan 0.000 0.547 500 L N 0.075 121.302 121.223 0.007 0.000 2.046 500 L HA 0.071 4.411 4.340 0.000 0.000 0.208 500 L C 2.086 178.963 176.870 0.011 0.000 1.077 500 L CA 2.011 56.857 54.840 0.010 0.000 0.747 500 L CB -0.842 41.229 42.059 0.019 0.000 0.896 500 L HN 0.904 nan 8.230 nan 0.000 0.432 501 E N -0.869 119.339 120.200 0.012 0.000 2.058 501 E HA -0.307 4.043 4.350 0.000 0.000 0.194 501 E C 2.064 178.671 176.600 0.012 0.000 0.997 501 E CA 1.786 58.194 56.400 0.013 0.000 0.801 501 E CB -0.221 29.487 29.700 0.012 0.000 0.746 501 E HN 0.716 nan 8.360 nan 0.000 0.450 502 Q N -0.025 119.782 119.800 0.011 0.000 2.167 502 Q HA -0.131 4.210 4.340 0.000 0.000 0.202 502 Q C 2.350 178.357 176.000 0.013 0.000 0.970 502 Q CA 0.971 56.782 55.803 0.013 0.000 0.855 502 Q CB -0.083 28.663 28.738 0.013 0.000 0.911 502 Q HN 0.293 nan 8.270 nan 0.000 0.438 503 L N 1.345 122.573 121.223 0.009 0.000 2.046 503 L HA -0.207 4.133 4.340 0.000 0.000 0.208 503 L C 1.824 178.701 176.870 0.012 0.000 1.077 503 L CA 1.885 56.730 54.840 0.007 0.000 0.747 503 L CB -0.182 41.876 42.059 -0.002 0.000 0.896 503 L HN -0.017 nan 8.230 nan 0.000 0.432 504 K N -0.768 119.640 120.400 0.013 0.000 2.057 504 K HA -0.053 4.267 4.320 0.000 0.000 0.206 504 K C 2.032 178.642 176.600 0.016 0.000 1.050 504 K CA 1.149 57.445 56.287 0.015 0.000 0.935 504 K CB -0.733 31.777 32.500 0.016 0.000 0.715 504 K HN 0.533 nan 8.250 nan 0.000 0.439 505 G N 0.713 109.522 108.800 0.015 0.000 2.440 505 G HA2 -0.246 3.714 3.960 0.000 0.000 0.218 505 G HA3 -0.246 3.714 3.960 0.000 0.000 0.218 505 G C 1.547 176.457 174.900 0.017 0.000 1.154 505 G CA 0.956 46.065 45.100 0.015 0.000 0.767 505 G HN 0.181 nan 8.290 nan 0.000 0.552 506 S N 0.267 115.978 115.700 0.019 0.000 2.371 506 S HA 0.050 4.520 4.470 0.000 0.000 0.224 506 S C 2.294 176.908 174.600 0.023 0.000 1.029 506 S CA 0.601 58.815 58.200 0.023 0.000 0.978 506 S CB -0.201 63.015 63.200 0.026 0.000 0.833 506 S HN 0.295 nan 8.310 nan 0.000 0.466 507 L N 1.419 122.654 121.223 0.021 0.000 2.083 507 L HA -0.153 4.187 4.340 0.000 0.000 0.209 507 L C 2.808 179.688 176.870 0.018 0.000 1.083 507 L CA 1.247 56.100 54.840 0.022 0.000 0.752 507 L CB -0.469 41.604 42.059 0.024 0.000 0.899 507 L HN 0.397 nan 8.230 nan 0.000 0.433 508 Q N 0.302 120.112 119.800 0.016 0.000 2.050 508 Q HA -0.298 4.042 4.340 0.000 0.000 0.202 508 Q C 2.080 178.087 176.000 0.012 0.000 0.980 508 Q CA 2.117 57.928 55.803 0.013 0.000 0.840 508 Q CB 0.051 28.797 28.738 0.013 0.000 0.898 508 Q HN 0.396 nan 8.270 nan 0.000 0.424 509 E N 0.158 120.367 120.200 0.015 0.000 2.051 509 E HA -0.157 4.193 4.350 0.000 0.000 0.192 509 E C 1.708 178.318 176.600 0.016 0.000 0.991 509 E CA 1.613 58.023 56.400 0.016 0.000 0.799 509 E CB -0.378 29.334 29.700 0.020 0.000 0.748 509 E HN 0.449 nan 8.360 nan 0.000 0.449 510 A N 0.528 123.359 122.820 0.019 0.000 1.902 510 A HA -0.108 4.212 4.320 0.000 0.000 0.217 510 A C 2.305 179.892 177.584 0.005 0.000 1.181 510 A CA 1.421 53.468 52.037 0.018 0.000 0.623 510 A CB -0.766 18.247 19.000 0.021 0.000 0.818 510 A HN 0.360 nan 8.150 nan 0.000 0.443 511 L N 0.494 121.718 121.223 0.002 0.000 2.275 511 L HA -0.113 4.227 4.340 0.000 0.000 0.215 511 L C 2.320 179.185 176.870 -0.007 0.000 1.119 511 L CA 1.344 56.179 54.840 -0.007 0.000 0.790 511 L CB -0.176 41.880 42.059 -0.004 0.000 0.919 511 L HN 0.584 nan 8.230 nan 0.000 0.443 512 S N -1.399 114.300 115.700 -0.000 0.000 2.557 512 S HA 0.347 4.817 4.470 0.000 0.000 0.223 512 S C 0.794 175.395 174.600 0.002 0.000 0.969 512 S CA -0.210 57.990 58.200 0.000 0.000 0.927 512 S CB 0.065 63.267 63.200 0.003 0.000 0.806 512 S HN 0.174 nan 8.310 nan 0.000 0.489 513 A N 1.922 124.745 122.820 0.004 0.000 2.332 513 A HA 0.531 4.851 4.320 0.000 0.000 0.258 513 A C 0.816 178.403 177.584 0.004 0.000 1.087 513 A CA -0.618 51.424 52.037 0.008 0.000 0.802 513 A CB 0.447 19.457 19.000 0.016 0.000 1.042 513 A HN 0.423 nan 8.150 nan 0.000 0.489 514 K N 0.542 120.946 120.400 0.006 0.000 2.404 514 K HA 0.232 4.552 4.320 0.000 0.000 0.194 514 K C 0.704 177.308 176.600 0.006 0.000 1.023 514 K CA 0.600 56.889 56.287 0.003 0.000 1.094 514 K CB 0.404 32.905 32.500 0.002 0.000 0.841 514 K HN 0.744 nan 8.250 nan 0.000 0.523 515 G N 1.675 110.483 108.800 0.014 0.000 2.788 515 G HA2 0.329 4.289 3.960 0.000 0.000 0.293 515 G HA3 0.329 4.289 3.960 0.000 0.000 0.293 515 G C -3.072 171.853 174.900 0.040 0.000 1.392 515 G CA -1.311 43.803 45.100 0.023 0.000 0.810 515 G HN -0.259 nan 8.290 nan 0.000 0.508 516 P HA 0.380 nan 4.420 nan 0.000 0.269 516 P C -0.746 176.643 177.300 0.149 0.000 1.215 516 P CA -0.099 63.078 63.100 0.129 0.000 0.780 516 P CB 1.592 33.437 31.700 0.240 0.000 0.898 517 V N 3.209 123.230 119.914 0.179 0.000 2.808 517 V HA 0.370 4.490 4.120 0.000 0.000 0.308 517 V C -0.057 176.196 176.094 0.265 0.000 1.099 517 V CA -0.776 61.625 62.300 0.168 0.000 0.920 517 V CB 2.135 34.012 31.823 0.090 0.000 1.014 517 V HN 0.465 nan 8.190 nan 0.000 0.425 518 L N 5.451 126.810 121.223 0.227 0.000 2.322 518 L HA 0.716 5.056 4.340 0.000 0.000 0.281 518 L C -1.068 175.887 176.870 0.141 0.000 1.014 518 L CA -0.328 54.649 54.840 0.229 0.000 0.815 518 L CB 1.297 43.457 42.059 0.169 0.000 1.247 518 L HN 0.613 nan 8.230 nan 0.000 0.421 519 I N 4.582 125.224 120.570 0.120 0.000 2.382 519 I HA 0.314 4.484 4.170 0.000 0.000 0.286 519 I C -0.311 175.838 176.117 0.052 0.000 1.002 519 I CA -0.429 60.916 61.300 0.075 0.000 1.135 519 I CB 1.741 39.773 38.000 0.055 0.000 1.288 519 I HN 0.617 nan 8.210 nan 0.000 0.448 520 E N 6.589 126.824 120.200 0.058 0.000 2.105 520 E HA 0.360 4.710 4.350 0.000 0.000 0.285 520 E C -1.277 175.338 176.600 0.024 0.000 1.055 520 E CA -0.514 55.911 56.400 0.041 0.000 0.843 520 E CB 1.143 30.920 29.700 0.128 0.000 1.067 520 E HN 0.379 nan 8.360 nan 0.000 0.398 521 V N 4.060 123.967 119.914 -0.011 0.000 2.394 521 V HA 0.130 4.250 4.120 0.000 0.000 0.282 521 V C 0.276 176.363 176.094 -0.012 0.000 1.031 521 V CA -0.717 61.574 62.300 -0.016 0.000 0.881 521 V CB 1.419 33.217 31.823 -0.042 0.000 0.982 521 V HN 0.662 nan 8.190 nan 0.000 0.451 522 S N 4.610 120.308 115.700 -0.003 0.000 2.405 522 S HA 0.345 4.815 4.470 0.000 0.000 0.291 522 S C 0.332 174.916 174.600 -0.027 0.000 1.137 522 S CA -0.352 57.847 58.200 -0.001 0.000 1.061 522 S CB -0.116 63.087 63.200 0.005 0.000 1.001 522 S HN 1.010 nan 8.310 nan 0.000 0.507 523 T N 1.660 116.198 114.554 -0.027 0.000 2.944 523 T HA 0.617 4.967 4.350 0.000 0.000 0.284 523 T C 0.473 175.144 174.700 -0.048 0.000 1.010 523 T CA -0.647 61.424 62.100 -0.048 0.000 1.025 523 T CB 1.001 69.846 68.868 -0.037 0.000 1.079 523 T HN 0.910 nan 8.240 nan 0.000 0.516 524 V N 1.076 120.934 119.914 -0.093 0.000 2.740 524 V HA 0.454 4.574 4.120 0.000 0.000 0.303 524 V C 0.566 176.658 176.094 -0.004 0.000 1.054 524 V CA -0.609 61.637 62.300 -0.090 0.000 1.106 524 V CB -0.362 31.333 31.823 -0.213 0.000 0.957 524 V HN 1.169 nan 8.190 nan 0.000 0.486 525 S N 0.000 115.709 115.700 0.015 0.000 2.498 525 S HA 0.000 4.470 4.470 0.000 0.000 0.327 525 S CA 0.000 58.229 58.200 0.048 0.000 1.107 525 S CB 0.000 63.224 63.200 0.041 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517