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 1mcz_1_H DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV 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 0.000 177.671 177.584 0.144 0.000 1.274 2 A CA 0.000 52.113 52.037 0.127 0.000 0.836 2 A CB 0.000 19.095 19.000 0.158 0.000 0.831 3 S N -0.599 115.210 115.700 0.181 0.000 2.690 3 S HA 0.564 5.034 4.470 -0.000 0.000 0.291 3 S C 0.960 175.725 174.600 0.275 0.000 1.138 3 S CA 0.009 58.337 58.200 0.215 0.000 1.013 3 S CB 1.161 64.504 63.200 0.239 0.000 1.053 3 S HN 1.435 nan 8.310 nan 0.000 0.539 4 V N 1.586 121.671 119.914 0.285 0.000 2.392 4 V HA -0.206 3.914 4.120 -0.000 0.000 0.249 4 V C 2.548 178.951 176.094 0.515 0.000 1.059 4 V CA 2.295 64.781 62.300 0.310 0.000 1.051 4 V CB -1.413 30.521 31.823 0.186 0.000 0.658 4 V HN 1.040 nan 8.190 nan 0.000 0.455 5 H N 0.844 120.228 119.070 0.523 0.000 2.253 5 H HA -0.165 4.390 4.556 -0.000 0.000 0.296 5 H C 2.329 177.891 175.328 0.391 0.000 1.074 5 H CA 2.342 58.712 56.048 0.538 0.000 1.263 5 H CB -0.554 29.430 29.762 0.370 0.000 1.363 5 H HN 0.402 nan 8.280 nan 0.000 0.489 6 G N -0.432 108.639 108.800 0.451 0.000 2.446 6 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.217 6 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.217 6 G C 1.823 176.861 174.900 0.231 0.000 1.168 6 G CA 1.593 46.870 45.100 0.294 0.000 0.771 6 G HN 0.478 nan 8.290 nan 0.000 0.551 7 T N 0.892 115.615 114.554 0.282 0.000 2.759 7 T HA -0.118 4.231 4.350 -0.000 0.000 0.269 7 T C 2.613 177.511 174.700 0.330 0.000 1.042 7 T CA 1.795 64.103 62.100 0.348 0.000 1.140 7 T CB -0.479 68.595 68.868 0.343 0.000 0.864 7 T HN 0.311 nan 8.240 nan 0.000 0.455 8 T N 0.824 115.540 114.554 0.270 0.000 2.737 8 T HA -0.058 4.291 4.350 -0.000 0.000 0.265 8 T C 1.641 176.336 174.700 -0.007 0.000 1.038 8 T CA 1.100 63.315 62.100 0.191 0.000 1.144 8 T CB -0.527 68.523 68.868 0.303 0.000 0.866 8 T HN 0.443 nan 8.240 nan 0.000 0.434 9 Y N 1.224 121.459 120.300 -0.108 0.000 2.274 9 Y HA -0.099 4.450 4.550 -0.000 0.000 0.290 9 Y C 2.650 178.476 175.900 -0.122 0.000 1.145 9 Y CA 1.157 59.076 58.100 -0.302 0.000 1.203 9 Y CB -0.131 37.976 38.460 -0.589 0.000 0.984 9 Y HN 0.178 nan 8.280 nan 0.000 0.533 10 E N 0.541 120.754 120.200 0.021 0.000 2.072 10 E HA -0.194 4.156 4.350 -0.000 0.000 0.191 10 E C 2.019 178.486 176.600 -0.223 0.000 0.985 10 E CA 1.027 57.311 56.400 -0.193 0.000 0.801 10 E CB -0.545 28.878 29.700 -0.462 0.000 0.750 10 E HN 0.351 nan 8.360 nan 0.000 0.452 11 L N 0.267 121.504 121.223 0.022 0.000 2.012 11 L HA -0.128 4.212 4.340 -0.000 0.000 0.210 11 L C 2.177 179.124 176.870 0.129 0.000 1.073 11 L CA 1.740 56.726 54.840 0.243 0.000 0.748 11 L CB -0.651 41.630 42.059 0.371 0.000 0.891 11 L HN 0.280 nan 8.230 nan 0.000 0.431 12 L N -0.314 120.966 121.223 0.096 0.000 1.989 12 L HA -0.247 4.093 4.340 -0.000 0.000 0.211 12 L C 2.909 179.859 176.870 0.134 0.000 1.071 12 L CA 2.095 56.998 54.840 0.105 0.000 0.749 12 L CB -0.731 41.365 42.059 0.062 0.000 0.890 12 L HN 0.428 nan 8.230 nan 0.000 0.431 13 R N -0.313 120.304 120.500 0.196 0.000 2.075 13 R HA -0.114 4.225 4.340 -0.000 0.000 0.232 13 R C 2.236 178.528 176.300 -0.013 0.000 1.126 13 R CA 0.850 56.972 56.100 0.037 0.000 0.963 13 R CB -0.497 29.844 30.300 0.069 0.000 0.858 13 R HN 0.184 nan 8.270 nan 0.000 0.435 14 R N 0.641 121.135 120.500 -0.010 0.000 2.193 14 R HA -0.012 4.328 4.340 -0.000 0.000 0.229 14 R C 1.434 177.768 176.300 0.055 0.000 1.110 14 R CA 0.879 56.983 56.100 0.007 0.000 0.988 14 R CB -0.109 30.189 30.300 -0.002 0.000 0.871 14 R HN 0.434 nan 8.270 nan 0.000 0.458 15 Q N -0.610 119.224 119.800 0.057 0.000 2.246 15 Q HA 0.151 4.491 4.340 -0.000 0.000 0.202 15 Q C 0.709 176.724 176.000 0.025 0.000 0.883 15 Q CA 0.410 56.242 55.803 0.049 0.000 0.952 15 Q CB 0.962 29.720 28.738 0.034 0.000 1.078 15 Q HN 0.527 nan 8.270 nan 0.000 0.493 16 G N 1.119 109.922 108.800 0.005 0.000 2.176 16 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.253 16 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.253 16 G C 0.242 175.122 174.900 -0.034 0.000 0.979 16 G CA -0.084 45.007 45.100 -0.015 0.000 0.641 16 G HN 0.353 nan 8.290 nan 0.000 0.530 17 I N 1.537 122.087 120.570 -0.034 0.000 2.395 17 I HA 0.444 4.613 4.170 -0.000 0.000 0.289 17 I C 0.688 176.604 176.117 -0.334 0.000 1.023 17 I CA 0.159 61.437 61.300 -0.036 0.000 1.350 17 I CB 1.331 39.379 38.000 0.080 0.000 1.409 17 I HN 0.250 nan 8.210 nan 0.000 0.507 18 D N 1.535 121.711 120.400 -0.372 0.000 2.497 18 D HA 0.073 4.713 4.640 -0.000 0.000 0.256 18 D C -0.115 175.964 176.300 -0.369 0.000 1.273 18 D CA -0.030 53.478 54.000 -0.821 0.000 0.812 18 D CB 0.480 40.946 40.800 -0.557 0.000 1.190 18 D HN 0.285 nan 8.370 nan 0.000 0.524 19 T N 0.246 114.745 114.554 -0.092 0.000 2.881 19 T HA 0.591 4.940 4.350 -0.000 0.000 0.290 19 T C -0.833 173.868 174.700 0.000 0.000 1.000 19 T CA -0.601 61.424 62.100 -0.125 0.000 0.978 19 T CB 2.541 71.166 68.868 -0.405 0.000 0.997 19 T HN -0.115 nan 8.240 nan 0.000 0.443 20 V N 3.898 123.805 119.914 -0.011 0.000 2.378 20 V HA 0.512 4.632 4.120 -0.000 0.000 0.288 20 V C -1.017 174.847 176.094 -0.382 0.000 1.016 20 V CA -0.855 61.551 62.300 0.176 0.000 0.840 20 V CB 0.745 32.908 31.823 0.567 0.000 0.994 20 V HN 0.796 nan 8.190 nan 0.000 0.431 21 F N 3.207 123.111 119.950 -0.077 0.000 2.415 21 F HA 0.849 5.376 4.527 -0.000 0.000 0.348 21 F C 0.885 176.556 175.800 -0.214 0.000 1.119 21 F CA -0.067 57.784 58.000 -0.248 0.000 1.069 21 F CB 1.877 40.787 39.000 -0.149 0.000 1.124 21 F HN 0.662 nan 8.300 nan 0.000 0.472 22 G N 2.162 110.846 108.800 -0.194 0.000 2.488 22 G HA2 0.273 4.233 3.960 -0.000 0.000 0.301 22 G HA3 0.273 4.233 3.960 -0.000 0.000 0.301 22 G C -2.227 172.764 174.900 0.153 0.000 1.339 22 G CA -0.911 44.208 45.100 0.033 0.000 0.803 22 G HN 0.525 nan 8.290 nan 0.000 0.482 23 N N 1.134 119.970 118.700 0.227 0.000 2.558 23 N HA 0.372 5.112 4.740 -0.000 0.000 0.285 23 N C -2.792 172.836 175.510 0.197 0.000 1.112 23 N CA -1.160 52.013 53.050 0.205 0.000 0.857 23 N CB 3.025 41.589 38.487 0.128 0.000 1.376 23 N HN 0.373 nan 8.380 nan 0.000 0.526 24 P HA 0.231 nan 4.420 nan 0.000 0.268 24 P C -0.164 177.098 177.300 -0.062 0.000 1.208 24 P CA 0.204 63.349 63.100 0.075 0.000 0.777 24 P CB 1.238 32.928 31.700 -0.017 0.000 0.875 25 G N -0.517 108.216 108.800 -0.111 0.000 2.684 25 G HA2 0.367 4.326 3.960 -0.000 0.000 0.290 25 G HA3 0.367 4.326 3.960 -0.000 0.000 0.290 25 G C 0.750 175.550 174.900 -0.168 0.000 1.425 25 G CA 0.034 44.838 45.100 -0.493 0.000 0.822 25 G HN 0.428 nan 8.290 nan 0.000 0.482 26 S N 0.183 115.782 115.700 -0.168 0.000 2.370 26 S HA -0.168 4.301 4.470 -0.000 0.000 0.226 26 S C 1.738 176.302 174.600 -0.061 0.000 1.033 26 S CA 1.715 59.863 58.200 -0.087 0.000 1.011 26 S CB -0.306 62.838 63.200 -0.093 0.000 0.852 26 S HN 0.440 nan 8.310 nan 0.000 0.457 27 N N 1.971 120.772 118.700 0.168 0.000 2.443 27 N HA -0.026 4.714 4.740 -0.000 0.000 0.184 27 N C 1.086 176.776 175.510 0.300 0.000 1.037 27 N CA 1.270 54.461 53.050 0.234 0.000 0.896 27 N CB -0.328 38.355 38.487 0.326 0.000 0.959 27 N HN 0.634 nan 8.380 nan 0.000 0.442 28 E N -0.512 119.842 120.200 0.256 0.000 2.476 28 E HA 0.212 4.562 4.350 -0.000 0.000 0.199 28 E C 1.755 178.475 176.600 0.200 0.000 1.021 28 E CA -0.150 56.422 56.400 0.287 0.000 0.907 28 E CB 0.057 29.936 29.700 0.298 0.000 0.974 28 E HN 0.221 nan 8.360 nan 0.000 0.489 29 L N 1.012 122.284 121.223 0.082 0.000 2.042 29 L HA -0.133 4.206 4.340 -0.000 0.000 0.210 29 L C -0.657 176.240 176.870 0.045 0.000 1.076 29 L CA 1.472 56.320 54.840 0.014 0.000 0.749 29 L CB -1.368 40.659 42.059 -0.053 0.000 0.893 29 L HN 0.136 nan 8.230 nan 0.000 0.432 30 P HA -0.201 nan 4.420 nan 0.000 0.222 30 P C 1.312 178.684 177.300 0.121 0.000 1.147 30 P CA 1.289 64.512 63.100 0.206 0.000 0.790 30 P CB 0.011 31.989 31.700 0.465 0.000 0.780 31 F N -0.360 119.425 119.950 -0.275 0.000 2.317 31 F HA 0.082 4.609 4.527 -0.000 0.000 0.293 31 F C 1.696 177.457 175.800 -0.066 0.000 1.085 31 F CA 1.014 58.614 58.000 -0.667 0.000 1.390 31 F CB -0.629 37.735 39.000 -1.059 0.000 1.077 31 F HN -0.289 nan 8.300 nan 0.000 0.517 32 L N 1.045 122.166 121.223 -0.170 0.000 2.313 32 L HA -0.030 4.310 4.340 -0.000 0.000 0.214 32 L C 1.060 177.875 176.870 -0.091 0.000 1.119 32 L CA 0.211 54.947 54.840 -0.173 0.000 0.809 32 L CB -0.801 41.169 42.059 -0.147 0.000 0.933 32 L HN 0.040 nan 8.230 nan 0.000 0.449 33 K N 0.265 120.622 120.400 -0.072 0.000 2.414 33 K HA -0.068 4.252 4.320 -0.000 0.000 0.272 33 K C -0.319 176.218 176.600 -0.105 0.000 0.993 33 K CA -0.116 56.116 56.287 -0.093 0.000 0.964 33 K CB 0.342 32.780 32.500 -0.104 0.000 0.925 33 K HN 0.001 nan 8.250 nan 0.000 0.487 34 D N 0.621 120.954 120.400 -0.111 0.000 2.723 34 D HA -0.213 4.426 4.640 -0.000 0.000 0.236 34 D C -0.730 175.476 176.300 -0.155 0.000 1.138 34 D CA 0.767 54.689 54.000 -0.131 0.000 0.676 34 D CB -1.323 39.355 40.800 -0.205 0.000 1.069 34 D HN 0.509 nan 8.370 nan 0.000 0.430 35 F N 1.143 120.906 119.950 -0.311 0.000 2.571 35 F HA 0.151 4.678 4.527 -0.000 0.000 0.390 35 F C -1.377 174.192 175.800 -0.385 0.000 1.043 35 F CA -1.327 56.414 58.000 -0.430 0.000 1.164 35 F CB 0.305 39.139 39.000 -0.275 0.000 1.049 35 F HN -0.134 nan 8.300 nan 0.000 0.552 36 P HA -0.051 nan 4.420 nan 0.000 0.265 36 P C 0.289 177.412 177.300 -0.295 0.000 1.187 36 P CA 0.293 63.051 63.100 -0.570 0.000 0.766 36 P CB 0.480 31.760 31.700 -0.699 0.000 0.820 37 E N 1.499 121.623 120.200 -0.127 0.000 2.338 37 E HA -0.146 4.204 4.350 -0.000 0.000 0.197 37 E C 0.745 177.336 176.600 -0.016 0.000 1.007 37 E CA 0.873 57.249 56.400 -0.040 0.000 0.849 37 E CB -0.078 29.603 29.700 -0.031 0.000 0.774 37 E HN 0.620 nan 8.360 nan 0.000 0.506 38 D N -0.268 120.130 120.400 -0.003 0.000 2.328 38 D HA -0.028 4.612 4.640 -0.000 0.000 0.221 38 D C 0.057 176.284 176.300 -0.122 0.000 1.072 38 D CA -0.002 53.975 54.000 -0.039 0.000 0.850 38 D CB -0.139 40.629 40.800 -0.054 0.000 0.922 38 D HN -0.039 nan 8.370 nan 0.000 0.516 39 F N 1.153 120.951 119.950 -0.253 0.000 2.556 39 F HA 0.485 5.011 4.527 -0.000 0.000 0.327 39 F C 0.643 176.435 175.800 -0.013 0.000 1.059 39 F CA -1.156 56.689 58.000 -0.259 0.000 0.953 39 F CB 1.711 40.308 39.000 -0.672 0.000 1.227 39 F HN -0.219 nan 8.300 nan 0.000 0.478 40 R N 1.015 121.695 120.500 0.301 0.000 2.744 40 R HA 0.575 4.915 4.340 -0.000 0.000 0.279 40 R C -2.238 174.267 176.300 0.342 0.000 0.977 40 R CA -0.890 55.400 56.100 0.316 0.000 0.906 40 R CB 1.762 32.086 30.300 0.040 0.000 1.197 40 R HN 0.681 nan 8.270 nan 0.000 0.463 41 Y N 3.269 123.613 120.300 0.074 0.000 2.352 41 Y HA 0.456 5.006 4.550 -0.000 0.000 0.339 41 Y C -0.847 174.901 175.900 -0.252 0.000 0.992 41 Y CA -1.214 56.796 58.100 -0.151 0.000 1.100 41 Y CB 1.437 39.639 38.460 -0.430 0.000 1.192 41 Y HN 0.525 nan 8.280 nan 0.000 0.458 42 I N 8.084 128.215 120.570 -0.731 0.000 2.354 42 I HA 0.197 4.367 4.170 -0.000 0.000 0.286 42 I C -0.832 175.075 176.117 -0.351 0.000 1.007 42 I CA -0.783 60.116 61.300 -0.669 0.000 1.167 42 I CB 0.991 38.530 38.000 -0.768 0.000 1.320 42 I HN 0.509 nan 8.210 nan 0.000 0.458 43 L N 6.783 128.121 121.223 0.193 0.000 2.334 43 L HA 0.806 5.146 4.340 -0.000 0.000 0.277 43 L C -0.096 177.019 176.870 0.409 0.000 1.075 43 L CA 0.116 55.185 54.840 0.381 0.000 0.804 43 L CB 1.371 43.798 42.059 0.614 0.000 1.174 43 L HN 0.694 nan 8.230 nan 0.000 0.438 44 A N 4.858 127.841 122.820 0.271 0.000 2.401 44 A HA 0.536 4.856 4.320 -0.000 0.000 0.310 44 A C 0.408 178.061 177.584 0.114 0.000 1.075 44 A CA -0.636 51.535 52.037 0.224 0.000 0.746 44 A CB 1.071 20.157 19.000 0.144 0.000 1.277 44 A HN 0.874 nan 8.150 nan 0.000 0.425 45 L N 0.064 121.297 121.223 0.017 0.000 2.465 45 L HA 0.042 4.382 4.340 -0.000 0.000 0.224 45 L C 0.971 177.813 176.870 -0.047 0.000 1.145 45 L CA 0.992 55.766 54.840 -0.110 0.000 0.834 45 L CB -0.047 41.858 42.059 -0.257 0.000 0.944 45 L HN 0.711 nan 8.230 nan 0.000 0.451 46 Q N -0.596 119.203 119.800 -0.001 0.000 2.340 46 Q HA 0.112 4.452 4.340 -0.000 0.000 0.276 46 Q C -0.160 175.867 176.000 0.045 0.000 1.048 46 Q CA -0.307 55.508 55.803 0.021 0.000 0.832 46 Q CB 2.326 31.073 28.738 0.016 0.000 1.373 46 Q HN -0.029 nan 8.270 nan 0.000 0.409 47 E N 1.374 121.609 120.200 0.057 0.000 2.171 47 E HA -0.209 4.141 4.350 -0.000 0.000 0.197 47 E C 1.515 178.148 176.600 0.056 0.000 0.997 47 E CA 1.963 58.402 56.400 0.066 0.000 0.810 47 E CB -0.010 29.734 29.700 0.073 0.000 0.738 47 E HN 0.656 nan 8.360 nan 0.000 0.467 48 A N -0.041 122.811 122.820 0.054 0.000 1.972 48 A HA -0.191 4.129 4.320 -0.000 0.000 0.219 48 A C 2.289 179.902 177.584 0.049 0.000 1.169 48 A CA 1.364 53.435 52.037 0.057 0.000 0.635 48 A CB -0.712 18.332 19.000 0.072 0.000 0.810 48 A HN 0.423 nan 8.150 nan 0.000 0.446 49 C N -1.554 117.771 119.300 0.043 0.000 2.486 49 C HA 0.025 4.484 4.460 -0.000 0.000 0.279 49 C C 2.658 177.665 174.990 0.027 0.000 1.302 49 C CA 0.616 59.652 59.018 0.031 0.000 1.720 49 C CB -1.169 26.589 27.740 0.030 0.000 2.030 49 C HN 0.439 nan 8.230 nan 0.000 0.490 50 V N 1.224 121.166 119.914 0.047 0.000 2.233 50 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 50 V C 2.474 178.567 176.094 -0.002 0.000 1.050 50 V CA 2.371 64.705 62.300 0.056 0.000 1.010 50 V CB -0.830 31.041 31.823 0.080 0.000 0.637 50 V HN 0.445 nan 8.190 nan 0.000 0.444 51 V N 0.756 120.673 119.914 0.005 0.000 2.407 51 V HA -0.158 3.961 4.120 -0.000 0.000 0.248 51 V C 2.600 178.667 176.094 -0.045 0.000 1.055 51 V CA 2.019 64.308 62.300 -0.019 0.000 1.049 51 V CB -1.422 30.416 31.823 0.025 0.000 0.662 51 V HN 0.631 nan 8.190 nan 0.000 0.455 52 G N 0.101 108.889 108.800 -0.021 0.000 2.421 52 G HA2 -0.223 3.736 3.960 -0.000 0.000 0.216 52 G HA3 -0.223 3.736 3.960 -0.000 0.000 0.216 52 G C 1.568 176.369 174.900 -0.165 0.000 1.171 52 G CA 1.096 46.170 45.100 -0.045 0.000 0.775 52 G HN 0.480 nan 8.290 nan 0.000 0.543 53 I N 1.406 121.876 120.570 -0.167 0.000 2.142 53 I HA -0.196 3.974 4.170 -0.000 0.000 0.240 53 I C 3.333 179.168 176.117 -0.471 0.000 1.078 53 I CA 1.076 62.242 61.300 -0.222 0.000 1.343 53 I CB -0.331 37.615 38.000 -0.090 0.000 1.046 53 I HN 0.249 nan 8.210 nan 0.000 0.405 54 A N 0.249 122.630 122.820 -0.732 0.000 1.940 54 A HA -0.297 4.023 4.320 -0.000 0.000 0.219 54 A C 2.076 179.415 177.584 -0.409 0.000 1.176 54 A CA 2.203 53.588 52.037 -1.086 0.000 0.631 54 A CB -0.662 17.879 19.000 -0.765 0.000 0.814 54 A HN 0.450 nan 8.150 nan 0.000 0.446 55 D N -0.349 119.928 120.400 -0.205 0.000 2.084 55 D HA -0.098 4.542 4.640 -0.000 0.000 0.194 55 D C 2.115 178.382 176.300 -0.055 0.000 0.990 55 D CA 1.741 55.720 54.000 -0.035 0.000 0.826 55 D CB -0.636 40.241 40.800 0.128 0.000 0.971 55 D HN 0.313 nan 8.370 nan 0.000 0.453 56 G N -0.897 107.810 108.800 -0.155 0.000 2.440 56 G HA2 -0.321 3.639 3.960 -0.000 0.000 0.218 56 G HA3 -0.321 3.639 3.960 -0.000 0.000 0.218 56 G C 1.700 176.486 174.900 -0.191 0.000 1.154 56 G CA 0.965 45.904 45.100 -0.269 0.000 0.767 56 G HN 0.368 nan 8.290 nan 0.000 0.552 57 Y N 1.967 122.110 120.300 -0.262 0.000 2.128 57 Y HA -0.048 4.501 4.550 -0.000 0.000 0.284 57 Y C 2.952 178.798 175.900 -0.090 0.000 1.154 57 Y CA 1.565 59.571 58.100 -0.156 0.000 1.149 57 Y CB -0.368 37.991 38.460 -0.168 0.000 0.976 57 Y HN 0.254 nan 8.280 nan 0.000 0.505 58 A N -0.007 122.819 122.820 0.010 0.000 1.877 58 A HA -0.228 4.092 4.320 -0.000 0.000 0.216 58 A C 2.123 179.685 177.584 -0.037 0.000 1.186 58 A CA 1.860 53.895 52.037 -0.003 0.000 0.620 58 A CB -0.753 18.277 19.000 0.049 0.000 0.822 58 A HN 0.647 nan 8.150 nan 0.000 0.443 59 Q N -0.721 119.060 119.800 -0.032 0.000 2.084 59 Q HA -0.135 4.205 4.340 -0.000 0.000 0.202 59 Q C 2.435 178.460 176.000 0.041 0.000 0.978 59 Q CA 1.476 57.298 55.803 0.032 0.000 0.844 59 Q CB -0.352 28.419 28.738 0.055 0.000 0.898 59 Q HN 0.688 nan 8.270 nan 0.000 0.426 60 A N 1.078 123.848 122.820 -0.084 0.000 1.897 60 A HA -0.141 4.179 4.320 -0.000 0.000 0.215 60 A C 2.236 179.772 177.584 -0.081 0.000 1.181 60 A CA 1.588 53.608 52.037 -0.029 0.000 0.620 60 A CB -0.492 18.441 19.000 -0.111 0.000 0.821 60 A HN 0.433 nan 8.150 nan 0.000 0.443 61 S N -1.329 114.244 115.700 -0.211 0.000 2.481 61 S HA -0.038 4.432 4.470 -0.000 0.000 0.231 61 S C 0.966 175.501 174.600 -0.109 0.000 0.996 61 S CA 0.675 58.733 58.200 -0.236 0.000 0.942 61 S CB -0.361 62.547 63.200 -0.486 0.000 0.768 61 S HN 0.524 nan 8.310 nan 0.000 0.520 62 R N 0.378 120.845 120.500 -0.056 0.000 3.641 62 R HA -0.118 4.221 4.340 -0.000 0.000 0.286 62 R C -0.900 175.397 176.300 -0.005 0.000 1.153 62 R CA 1.003 57.099 56.100 -0.006 0.000 0.775 62 R CB -1.980 28.325 30.300 0.008 0.000 1.215 62 R HN 0.564 nan 8.270 nan 0.000 0.474 63 K N -0.043 120.350 120.400 -0.012 0.000 2.508 63 K HA 0.428 4.748 4.320 -0.000 0.000 0.260 63 K C -2.552 174.084 176.600 0.059 0.000 0.949 63 K CA -2.022 54.277 56.287 0.019 0.000 0.834 63 K CB 2.605 35.113 32.500 0.013 0.000 1.365 63 K HN -0.220 nan 8.250 nan 0.000 0.437 64 P HA 0.031 nan 4.420 nan 0.000 0.269 64 P C -1.274 176.152 177.300 0.210 0.000 1.215 64 P CA -0.198 62.977 63.100 0.124 0.000 0.780 64 P CB 0.798 32.563 31.700 0.109 0.000 0.898 65 A N 2.787 125.746 122.820 0.230 0.000 2.342 65 A HA 0.576 4.896 4.320 -0.000 0.000 0.323 65 A C -1.139 176.651 177.584 0.343 0.000 1.125 65 A CA -0.649 51.593 52.037 0.343 0.000 0.785 65 A CB 0.557 19.691 19.000 0.222 0.000 1.221 65 A HN 0.498 nan 8.150 nan 0.000 0.463 66 F N 2.651 122.788 119.950 0.312 0.000 2.408 66 F HA 0.716 5.243 4.527 -0.000 0.000 0.344 66 F C -0.435 175.549 175.800 0.307 0.000 1.112 66 F CA -0.529 57.630 58.000 0.264 0.000 1.096 66 F CB 0.727 39.879 39.000 0.254 0.000 1.129 66 F HN 0.429 nan 8.300 nan 0.000 0.486 67 I N 4.746 125.099 120.570 -0.363 0.000 2.608 67 I HA 0.312 4.481 4.170 -0.000 0.000 0.295 67 I C -1.178 174.751 176.117 -0.313 0.000 1.049 67 I CA -0.978 60.234 61.300 -0.147 0.000 1.063 67 I CB 2.248 40.213 38.000 -0.059 0.000 1.248 67 I HN 0.524 nan 8.210 nan 0.000 0.424 68 N N 6.050 124.754 118.700 0.006 0.000 2.504 68 N HA 0.586 5.325 4.740 -0.000 0.000 0.280 68 N C -1.608 173.989 175.510 0.145 0.000 1.052 68 N CA -0.322 52.782 53.050 0.090 0.000 0.887 68 N CB 1.058 39.770 38.487 0.375 0.000 1.323 68 N HN 0.473 nan 8.380 nan 0.000 0.509 69 L N 1.096 122.384 121.223 0.109 0.000 2.304 69 L HA 0.486 4.826 4.340 -0.000 0.000 0.268 69 L C -0.318 176.670 176.870 0.197 0.000 1.010 69 L CA -1.233 53.700 54.840 0.156 0.000 0.813 69 L CB 1.307 43.448 42.059 0.137 0.000 1.315 69 L HN 0.571 nan 8.230 nan 0.000 0.445 70 H N 0.466 119.598 119.070 0.103 0.000 2.641 70 H HA 0.315 4.871 4.556 -0.000 0.000 0.295 70 H C 0.292 175.676 175.328 0.094 0.000 1.070 70 H CA 0.631 56.737 56.048 0.098 0.000 1.257 70 H CB 0.721 30.533 29.762 0.082 0.000 1.393 70 H HN 0.692 nan 8.280 nan 0.000 0.464 71 S N 2.921 118.466 115.700 -0.258 0.000 2.865 71 S HA -0.377 4.093 4.470 -0.000 0.000 0.630 71 S C 1.792 176.355 174.600 -0.062 0.000 3.160 71 S CA 1.583 59.655 58.200 -0.213 0.000 3.629 71 S CB -1.248 61.699 63.200 -0.421 0.000 0.312 71 S HN 1.100 nan 8.310 nan 0.000 1.632 72 A N 0.498 123.284 122.820 -0.056 0.000 1.858 72 A HA 0.227 4.547 4.320 -0.000 0.000 0.216 72 A C 2.680 180.261 177.584 -0.005 0.000 1.190 72 A CA 2.871 54.900 52.037 -0.014 0.000 0.617 72 A CB -1.639 17.348 19.000 -0.022 0.000 0.827 72 A HN 1.765 nan 8.150 nan 0.000 0.443 73 A N -0.502 122.316 122.820 -0.002 0.000 1.883 73 A HA 0.046 4.366 4.320 -0.000 0.000 0.217 73 A C 2.440 180.057 177.584 0.055 0.000 1.186 73 A CA 2.193 54.250 52.037 0.033 0.000 0.624 73 A CB -1.484 17.554 19.000 0.063 0.000 0.822 73 A HN 0.780 nan 8.150 nan 0.000 0.444 74 G N -1.381 107.468 108.800 0.081 0.000 2.421 74 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.216 74 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.216 74 G C 1.588 176.538 174.900 0.084 0.000 1.171 74 G CA 1.644 46.810 45.100 0.110 0.000 0.775 74 G HN 0.435 nan 8.290 nan 0.000 0.543 75 T N 1.059 115.660 114.554 0.079 0.000 2.708 75 T HA -0.054 4.296 4.350 -0.000 0.000 0.266 75 T C 2.506 177.205 174.700 -0.001 0.000 1.037 75 T CA 1.505 63.642 62.100 0.063 0.000 1.146 75 T CB -0.673 68.233 68.868 0.064 0.000 0.865 75 T HN 0.357 nan 8.240 nan 0.000 0.435 76 G N 2.269 111.064 108.800 -0.008 0.000 2.469 76 G HA2 -0.283 3.677 3.960 -0.000 0.000 0.219 76 G HA3 -0.283 3.677 3.960 -0.000 0.000 0.219 76 G C 1.591 176.492 174.900 0.002 0.000 1.150 76 G CA 0.760 45.849 45.100 -0.019 0.000 0.763 76 G HN 0.403 nan 8.290 nan 0.000 0.561 77 N N 1.002 119.717 118.700 0.025 0.000 2.443 77 N HA 0.005 4.744 4.740 -0.000 0.000 0.184 77 N C 1.910 177.443 175.510 0.037 0.000 1.037 77 N CA 0.954 54.025 53.050 0.036 0.000 0.896 77 N CB -0.094 38.422 38.487 0.048 0.000 0.959 77 N HN 0.368 nan 8.380 nan 0.000 0.442 78 A N -0.299 122.539 122.820 0.030 0.000 2.348 78 A HA 0.185 4.505 4.320 -0.000 0.000 0.224 78 A C 1.869 179.460 177.584 0.011 0.000 1.227 78 A CA -0.130 51.925 52.037 0.031 0.000 0.885 78 A CB 0.038 19.064 19.000 0.043 0.000 0.933 78 A HN -0.007 nan 8.150 nan 0.000 0.506 79 M N -0.125 119.468 119.600 -0.012 0.000 2.108 79 M HA -0.134 4.346 4.480 -0.000 0.000 0.261 79 M C 2.200 178.486 176.300 -0.023 0.000 1.066 79 M CA 1.700 56.977 55.300 -0.037 0.000 1.107 79 M CB -1.678 30.889 32.600 -0.055 0.000 1.356 79 M HN 0.475 nan 8.290 nan 0.000 0.406 80 G N -0.098 108.699 108.800 -0.004 0.000 2.421 80 G HA2 -0.087 3.872 3.960 -0.000 0.000 0.216 80 G HA3 -0.087 3.872 3.960 -0.000 0.000 0.216 80 G C 1.676 176.577 174.900 0.003 0.000 1.171 80 G CA 1.289 46.387 45.100 -0.003 0.000 0.775 80 G HN 0.553 nan 8.290 nan 0.000 0.543 81 A N 0.492 123.329 122.820 0.029 0.000 1.933 81 A HA 0.107 4.426 4.320 -0.000 0.000 0.218 81 A C 2.409 180.020 177.584 0.045 0.000 1.175 81 A CA 1.187 53.257 52.037 0.055 0.000 0.628 81 A CB -0.374 18.668 19.000 0.070 0.000 0.814 81 A HN 0.360 nan 8.150 nan 0.000 0.444 82 L N 0.472 121.715 121.223 0.033 0.000 2.201 82 L HA -0.163 4.177 4.340 -0.000 0.000 0.212 82 L C 2.991 179.898 176.870 0.061 0.000 1.105 82 L CA 1.393 56.262 54.840 0.050 0.000 0.775 82 L CB -0.459 41.615 42.059 0.025 0.000 0.913 82 L HN 0.660 nan 8.230 nan 0.000 0.440 83 S N -0.365 115.342 115.700 0.012 0.000 2.382 83 S HA -0.167 4.303 4.470 -0.000 0.000 0.228 83 S C 1.766 176.385 174.600 0.032 0.000 1.027 83 S CA 1.164 59.367 58.200 0.005 0.000 0.991 83 S CB -0.353 62.820 63.200 -0.045 0.000 0.823 83 S HN 0.428 nan 8.310 nan 0.000 0.469 84 N N 2.533 121.215 118.700 -0.031 0.000 2.106 84 N HA 0.084 4.824 4.740 -0.000 0.000 0.188 84 N C 2.113 177.578 175.510 -0.075 0.000 1.029 84 N CA 1.479 54.455 53.050 -0.123 0.000 0.848 84 N CB -1.005 37.325 38.487 -0.263 0.000 1.007 84 N HN 0.601 nan 8.380 nan 0.000 0.423 85 A N 1.535 124.358 122.820 0.004 0.000 1.948 85 A HA -0.185 4.135 4.320 -0.000 0.000 0.220 85 A C 2.044 179.670 177.584 0.070 0.000 1.177 85 A CA 1.220 53.282 52.037 0.042 0.000 0.636 85 A CB -1.120 17.932 19.000 0.086 0.000 0.815 85 A HN 0.614 nan 8.150 nan 0.000 0.449 86 W N 1.058 122.327 121.300 -0.052 0.000 2.358 86 W HA -0.184 4.476 4.660 -0.000 0.000 0.303 86 W C 1.346 177.790 176.519 -0.125 0.000 1.208 86 W CA 1.973 59.290 57.345 -0.046 0.000 1.274 86 W CB -0.475 28.963 29.460 -0.038 0.000 1.138 86 W HN 0.414 nan 8.180 nan 0.000 0.515 87 N N 0.274 118.969 118.700 -0.009 0.000 2.396 87 N HA -0.140 4.600 4.740 -0.000 0.000 0.180 87 N C 1.775 177.081 175.510 -0.339 0.000 1.028 87 N CA 1.988 54.934 53.050 -0.173 0.000 0.893 87 N CB -0.411 38.048 38.487 -0.045 0.000 0.967 87 N HN 0.125 nan 8.380 nan 0.000 0.440 88 S N -1.539 114.018 115.700 -0.238 0.000 2.556 88 S HA 0.097 4.567 4.470 -0.000 0.000 0.216 88 S C -0.128 174.420 174.600 -0.087 0.000 0.970 88 S CA -0.307 57.799 58.200 -0.157 0.000 0.912 88 S CB -0.543 62.618 63.200 -0.066 0.000 0.790 88 S HN 0.395 nan 8.310 nan 0.000 0.504 89 H N 0.846 119.840 119.070 -0.126 0.000 2.791 89 H HA -0.130 4.426 4.556 -0.000 0.000 0.302 89 H C -0.667 174.625 175.328 -0.059 0.000 1.198 89 H CA 0.389 56.351 56.048 -0.143 0.000 1.145 89 H CB -2.143 27.545 29.762 -0.123 0.000 1.385 89 H HN 0.375 nan 8.280 nan 0.000 0.409 90 S N 2.507 118.245 115.700 0.063 0.000 2.481 90 S HA 0.122 4.591 4.470 -0.000 0.000 0.276 90 S C -1.821 172.821 174.600 0.070 0.000 1.247 90 S CA -1.000 57.241 58.200 0.069 0.000 1.053 90 S CB 0.943 64.181 63.200 0.063 0.000 0.925 90 S HN 0.210 nan 8.310 nan 0.000 0.491 91 P HA 0.193 nan 4.420 nan 0.000 0.263 91 P C -1.061 176.290 177.300 0.086 0.000 1.601 91 P CA -0.002 63.141 63.100 0.071 0.000 1.161 91 P CB -0.168 31.567 31.700 0.059 0.000 1.730 92 L N 4.601 125.879 121.223 0.091 0.000 2.313 92 L HA 0.508 4.848 4.340 -0.000 0.000 0.283 92 L C 0.677 177.601 176.870 0.091 0.000 1.013 92 L CA -0.975 53.917 54.840 0.086 0.000 0.816 92 L CB 1.949 44.050 42.059 0.070 0.000 1.236 92 L HN 0.163 nan 8.230 nan 0.000 0.419 93 I N 4.233 124.843 120.570 0.066 0.000 2.310 93 I HA 0.191 4.361 4.170 -0.000 0.000 0.287 93 I C -0.284 175.744 176.117 -0.148 0.000 1.073 93 I CA -0.523 60.791 61.300 0.023 0.000 1.216 93 I CB 1.228 39.284 38.000 0.094 0.000 1.415 93 I HN 0.249 nan 8.210 nan 0.000 0.480 94 V N 5.305 125.192 119.914 -0.045 0.000 2.368 94 V HA 0.257 4.377 4.120 -0.000 0.000 0.266 94 V C 0.619 176.603 176.094 -0.183 0.000 1.045 94 V CA -0.340 61.923 62.300 -0.063 0.000 0.899 94 V CB 0.990 32.908 31.823 0.159 0.000 1.006 94 V HN 0.791 nan 8.190 nan 0.000 0.470 95 T N 2.345 116.705 114.554 -0.323 0.000 2.823 95 T HA 0.863 5.213 4.350 -0.000 0.000 0.279 95 T C -0.403 174.161 174.700 -0.226 0.000 0.998 95 T CA -0.545 61.354 62.100 -0.335 0.000 0.994 95 T CB 1.969 70.636 68.868 -0.336 0.000 0.960 95 T HN 0.938 nan 8.240 nan 0.000 0.448 96 A N 2.008 124.669 122.820 -0.264 0.000 2.393 96 A HA 0.864 5.184 4.320 -0.000 0.000 0.306 96 A C 0.377 177.940 177.584 -0.034 0.000 1.050 96 A CA -0.739 51.245 52.037 -0.088 0.000 0.724 96 A CB 1.253 20.244 19.000 -0.015 0.000 1.248 96 A HN 1.330 nan 8.150 nan 0.000 0.424 97 G N 0.623 109.470 108.800 0.078 0.000 2.378 97 G HA2 0.463 4.422 3.960 -0.000 0.000 0.255 97 G HA3 0.463 4.422 3.960 -0.000 0.000 0.255 97 G C -0.126 174.828 174.900 0.090 0.000 1.270 97 G CA 0.026 45.221 45.100 0.159 0.000 0.876 97 G HN 0.834 nan 8.290 nan 0.000 0.521 98 Q N 0.658 120.520 119.800 0.104 0.000 2.204 98 Q HA 0.334 4.674 4.340 -0.000 0.000 0.254 98 Q C 0.350 176.429 176.000 0.132 0.000 0.981 98 Q CA -0.638 55.195 55.803 0.051 0.000 0.897 98 Q CB 1.022 29.745 28.738 -0.026 0.000 1.273 98 Q HN 0.506 nan 8.270 nan 0.000 0.464 99 Q N 0.253 120.100 119.800 0.078 0.000 2.535 99 Q HA 0.090 4.430 4.340 -0.000 0.000 0.228 99 Q C -0.558 175.347 176.000 -0.158 0.000 1.062 99 Q CA 0.236 56.100 55.803 0.101 0.000 0.967 99 Q CB 0.744 29.517 28.738 0.058 0.000 1.273 99 Q HN 0.832 nan 8.270 nan 0.000 0.554 100 T N 0.667 114.937 114.554 -0.474 0.000 2.916 100 T HA 0.039 4.389 4.350 -0.000 0.000 0.303 100 T C 1.276 175.806 174.700 -0.283 0.000 1.025 100 T CA 0.057 61.756 62.100 -0.669 0.000 1.142 100 T CB 0.328 68.722 68.868 -0.789 0.000 0.947 100 T HN 0.504 nan 8.240 nan 0.000 0.544 101 R N 3.255 123.616 120.500 -0.232 0.000 2.185 101 R HA -0.166 4.174 4.340 -0.000 0.000 0.247 101 R C 2.478 178.714 176.300 -0.107 0.000 1.159 101 R CA 1.536 57.550 56.100 -0.144 0.000 0.988 101 R CB -0.507 29.718 30.300 -0.126 0.000 0.871 101 R HN 0.757 nan 8.270 nan 0.000 0.458 102 A N 0.108 122.862 122.820 -0.110 0.000 2.121 102 A HA -0.036 4.284 4.320 -0.000 0.000 0.218 102 A C 1.720 179.275 177.584 -0.049 0.000 1.154 102 A CA 0.982 52.979 52.037 -0.067 0.000 0.679 102 A CB -0.002 18.965 19.000 -0.055 0.000 0.795 102 A HN 0.194 nan 8.150 nan 0.000 0.458 103 M N -1.233 118.333 119.600 -0.056 0.000 2.347 103 M HA 0.316 4.796 4.480 -0.000 0.000 0.324 103 M C 0.897 177.182 176.300 -0.024 0.000 1.028 103 M CA 0.120 55.405 55.300 -0.025 0.000 0.988 103 M CB 0.259 32.860 32.600 0.001 0.000 1.528 103 M HN 0.301 nan 8.290 nan 0.000 0.550 104 I N 0.199 120.744 120.570 -0.043 0.000 2.439 104 I HA -0.109 4.061 4.170 -0.000 0.000 0.251 104 I C 2.452 178.551 176.117 -0.030 0.000 1.139 104 I CA 1.275 62.552 61.300 -0.039 0.000 1.438 104 I CB -0.482 37.484 38.000 -0.057 0.000 1.085 104 I HN 0.373 nan 8.210 nan 0.000 0.427 105 G N 1.237 110.020 108.800 -0.030 0.000 2.446 105 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.217 105 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.217 105 G C 1.617 176.508 174.900 -0.016 0.000 1.168 105 G CA 1.327 46.413 45.100 -0.023 0.000 0.771 105 G HN 0.385 nan 8.290 nan 0.000 0.551 106 V N -2.261 117.647 119.914 -0.011 0.000 3.380 106 V HA 0.250 4.370 4.120 -0.000 0.000 0.268 106 V C 0.679 176.772 176.094 -0.002 0.000 1.168 106 V CA 0.891 63.188 62.300 -0.005 0.000 1.156 106 V CB -0.843 30.980 31.823 0.000 0.000 0.785 106 V HN 0.509 nan 8.190 nan 0.000 0.487 107 E N 0.024 120.221 120.200 -0.004 0.000 2.260 107 E HA -0.175 4.175 4.350 -0.000 0.000 0.204 107 E C 0.546 177.151 176.600 0.009 0.000 1.319 107 E CA 0.193 56.592 56.400 -0.001 0.000 0.679 107 E CB -1.346 28.352 29.700 -0.004 0.000 1.158 107 E HN 0.998 nan 8.360 nan 0.000 0.376 108 A N 1.007 123.837 122.820 0.016 0.000 2.406 108 A HA 0.370 4.690 4.320 -0.000 0.000 0.243 108 A C 0.434 178.040 177.584 0.037 0.000 1.082 108 A CA -0.325 51.730 52.037 0.030 0.000 0.786 108 A CB 0.439 19.465 19.000 0.043 0.000 1.029 108 A HN 0.380 nan 8.150 nan 0.000 0.495 109 L N 0.905 122.154 121.223 0.044 0.000 2.573 109 L HA 0.041 4.381 4.340 -0.000 0.000 0.290 109 L C 0.849 177.757 176.870 0.063 0.000 1.247 109 L CA 1.461 56.330 54.840 0.048 0.000 0.876 109 L CB -0.334 41.757 42.059 0.054 0.000 1.123 109 L HN 0.748 nan 8.230 nan 0.000 0.505 110 L N 1.443 122.695 121.223 0.050 0.000 4.892 110 L HA -0.215 4.125 4.340 -0.000 0.000 0.403 110 L C 0.291 177.166 176.870 0.008 0.000 0.913 110 L CA 0.463 55.322 54.840 0.032 0.000 1.653 110 L CB -2.447 39.671 42.059 0.099 0.000 1.780 110 L HN 0.765 nan 8.230 nan 0.000 0.597 111 T N 1.088 115.651 114.554 0.015 0.000 2.814 111 T HA 0.155 4.504 4.350 -0.000 0.000 0.297 111 T C 0.614 175.305 174.700 -0.015 0.000 0.956 111 T CA -0.017 62.085 62.100 0.002 0.000 1.123 111 T CB 1.017 69.885 68.868 0.000 0.000 0.902 111 T HN 0.135 nan 8.240 nan 0.000 0.528 112 N N 4.039 122.726 118.700 -0.021 0.000 2.482 112 N HA 0.112 4.852 4.740 -0.000 0.000 0.242 112 N C -0.468 175.029 175.510 -0.021 0.000 1.100 112 N CA -0.244 52.796 53.050 -0.018 0.000 0.946 112 N CB 0.226 38.712 38.487 -0.001 0.000 1.227 112 N HN 0.281 nan 8.380 nan 0.000 0.508 113 V N 3.333 123.233 119.914 -0.023 0.000 2.572 113 V HA -0.002 4.118 4.120 -0.000 0.000 0.291 113 V C 0.920 176.994 176.094 -0.033 0.000 1.039 113 V CA -0.166 62.117 62.300 -0.028 0.000 1.055 113 V CB 0.636 32.444 31.823 -0.025 0.000 0.969 113 V HN 0.733 nan 8.190 nan 0.000 0.482 114 D N 3.304 123.679 120.400 -0.040 0.000 2.737 114 D HA -0.269 4.371 4.640 -0.000 0.000 0.233 114 D C 1.358 177.632 176.300 -0.044 0.000 1.155 114 D CA 1.000 54.972 54.000 -0.047 0.000 0.667 114 D CB -0.582 40.192 40.800 -0.044 0.000 1.060 114 D HN 0.838 nan 8.370 nan 0.000 0.427 115 A N 0.614 123.416 122.820 -0.030 0.000 1.893 115 A HA -0.173 4.147 4.320 -0.000 0.000 0.222 115 A C 2.580 180.190 177.584 0.043 0.000 1.309 115 A CA 3.586 55.637 52.037 0.023 0.000 0.681 115 A CB -1.318 17.703 19.000 0.036 0.000 0.842 115 A HN 1.048 nan 8.150 nan 0.000 0.468 116 A N -0.812 122.010 122.820 0.004 0.000 1.986 116 A HA -0.240 4.080 4.320 -0.000 0.000 0.220 116 A C 1.854 179.394 177.584 -0.073 0.000 1.171 116 A CA 2.014 54.045 52.037 -0.011 0.000 0.640 116 A CB -0.680 18.267 19.000 -0.089 0.000 0.811 116 A HN 0.625 nan 8.150 nan 0.000 0.451 117 N N -0.657 117.994 118.700 -0.082 0.000 2.409 117 N HA -0.050 4.690 4.740 -0.000 0.000 0.179 117 N C 1.479 176.906 175.510 -0.138 0.000 1.032 117 N CA 0.855 53.846 53.050 -0.099 0.000 0.898 117 N CB -0.323 38.119 38.487 -0.075 0.000 0.971 117 N HN 0.437 nan 8.380 nan 0.000 0.441 118 L N 2.700 123.824 121.223 -0.164 0.000 1.989 118 L HA -0.060 4.280 4.340 -0.000 0.000 0.211 118 L C -0.889 175.812 176.870 -0.282 0.000 1.071 118 L CA 2.087 56.803 54.840 -0.206 0.000 0.749 118 L CB -1.431 40.505 42.059 -0.205 0.000 0.890 118 L HN 0.110 nan 8.230 nan 0.000 0.431 119 P HA -0.087 nan 4.420 nan 0.000 0.236 119 P C 0.046 177.192 177.300 -0.255 0.000 1.177 119 P CA 0.442 63.305 63.100 -0.395 0.000 0.773 119 P CB -0.067 31.257 31.700 -0.626 0.000 0.878 120 R N 1.945 122.314 120.500 -0.218 0.000 2.643 120 R HA 0.128 4.468 4.340 -0.000 0.000 0.270 120 R C -1.371 174.810 176.300 -0.199 0.000 1.061 120 R CA -0.881 55.107 56.100 -0.187 0.000 1.107 120 R CB -0.117 30.099 30.300 -0.139 0.000 0.999 120 R HN 0.126 nan 8.270 nan 0.000 0.460 121 P HA 0.101 nan 4.420 nan 0.000 0.248 121 P C -0.003 176.953 177.300 -0.573 0.000 1.708 121 P CA 0.286 63.185 63.100 -0.336 0.000 1.062 121 P CB 0.268 31.782 31.700 -0.311 0.000 1.562 122 L N 0.041 121.010 121.223 -0.422 0.000 2.629 122 L HA 0.178 4.517 4.340 -0.000 0.000 0.230 122 L C 0.776 177.596 176.870 -0.083 0.000 1.151 122 L CA -0.237 54.348 54.840 -0.424 0.000 0.924 122 L CB 0.191 42.122 42.059 -0.213 0.000 1.137 122 L HN -0.077 nan 8.230 nan 0.000 0.457 123 V N -5.320 114.577 119.914 -0.028 0.000 3.007 123 V HA 0.372 4.492 4.120 -0.000 0.000 0.311 123 V C 0.630 176.997 176.094 0.455 0.000 1.120 123 V CA -1.049 61.426 62.300 0.292 0.000 0.980 123 V CB 2.158 34.081 31.823 0.168 0.000 1.033 123 V HN 0.030 nan 8.190 nan 0.000 0.429 124 K N 0.943 121.672 120.400 0.548 0.000 2.148 124 K HA 0.073 4.393 4.320 -0.000 0.000 0.204 124 K C -0.212 176.650 176.600 0.436 0.000 1.050 124 K CA 1.715 58.287 56.287 0.474 0.000 0.942 124 K CB 0.156 32.837 32.500 0.302 0.000 0.724 124 K HN 0.744 nan 8.250 nan 0.000 0.446 125 W N -0.045 121.357 121.300 0.170 0.000 3.425 125 W HA 0.319 4.978 4.660 -0.000 0.000 0.318 125 W C -1.624 174.995 176.519 0.166 0.000 1.201 125 W CA -0.680 56.743 57.345 0.131 0.000 1.212 125 W CB 1.941 31.452 29.460 0.085 0.000 1.355 125 W HN -0.359 nan 8.180 nan 0.000 0.515 126 S N 5.216 120.667 115.700 -0.416 0.000 2.571 126 S HA 0.756 5.226 4.470 -0.000 0.000 0.284 126 S C -2.057 172.189 174.600 -0.591 0.000 1.128 126 S CA -0.309 57.702 58.200 -0.316 0.000 0.970 126 S CB 0.723 63.876 63.200 -0.077 0.000 1.039 126 S HN 0.505 nan 8.310 nan 0.000 0.485 127 Y N 2.230 122.078 120.300 -0.754 0.000 2.624 127 Y HA 0.575 5.125 4.550 -0.000 0.000 0.334 127 Y C -1.529 174.144 175.900 -0.379 0.000 1.155 127 Y CA -0.699 56.996 58.100 -0.676 0.000 1.046 127 Y CB 1.563 39.308 38.460 -1.192 0.000 1.316 127 Y HN 0.684 nan 8.280 nan 0.000 0.457 128 E N 5.169 124.793 120.200 -0.959 0.000 2.281 128 E HA 0.482 4.832 4.350 -0.000 0.000 0.266 128 E C -2.953 173.109 176.600 -0.897 0.000 0.893 128 E CA -2.385 53.621 56.400 -0.657 0.000 0.798 128 E CB 1.926 31.384 29.700 -0.403 0.000 1.245 128 E HN 0.310 nan 8.360 nan 0.000 0.410 129 P HA 0.030 nan 4.420 nan 0.000 0.267 129 P C -0.273 176.921 177.300 -0.178 0.000 1.200 129 P CA 0.178 63.177 63.100 -0.169 0.000 0.772 129 P CB 0.981 32.676 31.700 -0.009 0.000 0.855 130 A N 1.486 124.267 122.820 -0.066 0.000 2.251 130 A HA 0.279 4.599 4.320 -0.000 0.000 0.209 130 A C 0.543 178.102 177.584 -0.042 0.000 1.187 130 A CA 0.952 52.954 52.037 -0.057 0.000 0.823 130 A CB -0.510 18.489 19.000 -0.003 0.000 0.846 130 A HN 0.606 nan 8.150 nan 0.000 0.486 131 S N -3.922 111.757 115.700 -0.035 0.000 2.578 131 S HA 0.583 5.052 4.470 -0.000 0.000 0.272 131 S C 0.615 175.183 174.600 -0.053 0.000 1.145 131 S CA -0.003 58.174 58.200 -0.038 0.000 0.835 131 S CB 0.900 64.095 63.200 -0.007 0.000 1.104 131 S HN 1.007 nan 8.310 nan 0.000 0.458 132 A N 1.696 124.475 122.820 -0.069 0.000 1.908 132 A HA 0.240 4.560 4.320 -0.000 0.000 0.218 132 A C 2.305 179.860 177.584 -0.047 0.000 1.181 132 A CA 2.143 54.122 52.037 -0.096 0.000 0.627 132 A CB -1.599 17.354 19.000 -0.079 0.000 0.818 132 A HN 1.829 nan 8.150 nan 0.000 0.445 133 A N -0.830 121.987 122.820 -0.004 0.000 2.125 133 A HA -0.149 4.171 4.320 -0.000 0.000 0.219 133 A C 1.917 179.532 177.584 0.051 0.000 1.156 133 A CA 1.610 53.664 52.037 0.028 0.000 0.671 133 A CB -0.424 18.595 19.000 0.032 0.000 0.794 133 A HN 0.676 nan 8.150 nan 0.000 0.459 134 E N -0.180 120.054 120.200 0.056 0.000 2.371 134 E HA -0.015 4.335 4.350 -0.000 0.000 0.194 134 E C 1.615 178.292 176.600 0.128 0.000 1.012 134 E CA 0.582 57.056 56.400 0.123 0.000 0.860 134 E CB -0.018 29.771 29.700 0.149 0.000 0.811 134 E HN 0.373 nan 8.360 nan 0.000 0.502 135 V N 1.794 121.729 119.914 0.035 0.000 2.250 135 V HA -0.245 3.875 4.120 -0.000 0.000 0.250 135 V C -0.706 175.446 176.094 0.096 0.000 1.060 135 V CA 2.320 64.617 62.300 -0.005 0.000 1.030 135 V CB -1.520 30.173 31.823 -0.217 0.000 0.643 135 V HN 0.285 nan 8.190 nan 0.000 0.445 136 P HA -0.202 nan 4.420 nan 0.000 0.216 136 P C 1.709 179.132 177.300 0.205 0.000 1.153 136 P CA 1.826 65.035 63.100 0.181 0.000 0.858 136 P CB -0.204 31.600 31.700 0.173 0.000 0.789 137 H N -0.542 118.574 119.070 0.076 0.000 2.321 137 H HA -0.096 4.460 4.556 -0.000 0.000 0.300 137 H C 1.807 177.184 175.328 0.082 0.000 1.087 137 H CA 1.264 57.347 56.048 0.058 0.000 1.319 137 H CB -0.163 29.622 29.762 0.038 0.000 1.379 137 H HN -0.015 nan 8.280 nan 0.000 0.501 138 A N 0.946 123.811 122.820 0.075 0.000 1.933 138 A HA -0.210 4.110 4.320 -0.000 0.000 0.218 138 A C 2.382 180.077 177.584 0.183 0.000 1.175 138 A CA 1.770 53.883 52.037 0.126 0.000 0.628 138 A CB -0.654 18.534 19.000 0.313 0.000 0.814 138 A HN 0.515 nan 8.150 nan 0.000 0.444 139 M N -0.234 119.470 119.600 0.174 0.000 2.159 139 M HA -0.070 4.410 4.480 -0.000 0.000 0.263 139 M C 2.271 178.645 176.300 0.122 0.000 1.063 139 M CA 2.017 57.431 55.300 0.189 0.000 1.110 139 M CB -0.577 32.148 32.600 0.208 0.000 1.374 139 M HN 0.391 nan 8.290 nan 0.000 0.411 140 S N -0.134 115.627 115.700 0.102 0.000 2.356 140 S HA -0.169 4.301 4.470 -0.000 0.000 0.223 140 S C 2.042 176.644 174.600 0.004 0.000 1.032 140 S CA 1.605 59.854 58.200 0.082 0.000 1.005 140 S CB -0.179 63.136 63.200 0.193 0.000 0.867 140 S HN 0.618 nan 8.310 nan 0.000 0.449 141 R N 0.804 121.226 120.500 -0.129 0.000 2.091 141 R HA -0.031 4.309 4.340 -0.000 0.000 0.238 141 R C 2.686 178.739 176.300 -0.412 0.000 1.136 141 R CA 1.361 57.207 56.100 -0.423 0.000 0.959 141 R CB -0.694 29.067 30.300 -0.898 0.000 0.856 141 R HN 0.501 nan 8.270 nan 0.000 0.437 142 A N 1.514 124.269 122.820 -0.108 0.000 1.865 142 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 142 A C 2.206 179.819 177.584 0.049 0.000 1.191 142 A CA 1.435 53.570 52.037 0.164 0.000 0.623 142 A CB -0.619 18.577 19.000 0.327 0.000 0.826 142 A HN 0.197 nan 8.150 nan 0.000 0.444 143 I N -1.061 119.492 120.570 -0.027 0.000 2.163 143 I HA -0.297 3.873 4.170 -0.000 0.000 0.243 143 I C 2.491 178.483 176.117 -0.209 0.000 1.085 143 I CA 1.582 62.805 61.300 -0.127 0.000 1.347 143 I CB -0.616 37.222 38.000 -0.271 0.000 1.044 143 I HN 0.427 nan 8.210 nan 0.000 0.408 144 H N -0.272 118.772 119.070 -0.043 0.000 2.403 144 H HA 0.002 4.558 4.556 -0.000 0.000 0.298 144 H C 2.326 177.598 175.328 -0.092 0.000 1.059 144 H CA 1.038 57.039 56.048 -0.077 0.000 1.363 144 H CB -0.121 29.577 29.762 -0.106 0.000 1.410 144 H HN 0.249 nan 8.280 nan 0.000 0.528 145 M N 0.406 119.983 119.600 -0.037 0.000 2.213 145 M HA -0.044 4.436 4.480 -0.000 0.000 0.263 145 M C 2.388 178.706 176.300 0.029 0.000 1.062 145 M CA 0.867 56.134 55.300 -0.055 0.000 1.105 145 M CB -0.835 31.681 32.600 -0.140 0.000 1.385 145 M HN 0.215 nan 8.290 nan 0.000 0.417 146 A N -1.151 121.700 122.820 0.051 0.000 1.970 146 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 146 A C 2.379 179.986 177.584 0.038 0.000 1.170 146 A CA 1.500 53.578 52.037 0.069 0.000 0.645 146 A CB -0.391 18.664 19.000 0.091 0.000 0.816 146 A HN 0.457 nan 8.150 nan 0.000 0.447 147 S N -0.393 115.322 115.700 0.026 0.000 2.458 147 S HA 0.190 4.660 4.470 -0.000 0.000 0.223 147 S C 0.880 175.483 174.600 0.005 0.000 1.019 147 S CA 0.133 58.344 58.200 0.018 0.000 0.937 147 S CB -0.225 62.986 63.200 0.020 0.000 0.788 147 S HN 0.535 nan 8.310 nan 0.000 0.511 148 M N 1.791 121.393 119.600 0.003 0.000 2.243 148 M HA 0.282 4.762 4.480 -0.000 0.000 0.341 148 M C 0.289 176.558 176.300 -0.052 0.000 1.130 148 M CA -0.375 54.913 55.300 -0.020 0.000 1.162 148 M CB 0.306 32.891 32.600 -0.025 0.000 1.497 148 M HN 0.141 nan 8.290 nan 0.000 0.456 149 A N 4.618 127.397 122.820 -0.068 0.000 2.440 149 A HA 0.438 4.758 4.320 -0.000 0.000 0.251 149 A C -2.230 175.279 177.584 -0.126 0.000 1.089 149 A CA -1.132 50.834 52.037 -0.118 0.000 0.779 149 A CB -0.659 18.278 19.000 -0.106 0.000 1.022 149 A HN 0.526 nan 8.150 nan 0.000 0.492 150 P HA 0.176 nan 4.420 nan 0.000 0.287 150 P C -0.647 176.504 177.300 -0.250 0.000 1.281 150 P CA -0.260 62.630 63.100 -0.349 0.000 0.781 150 P CB 0.799 32.198 31.700 -0.503 0.000 0.903 151 Q N 1.176 120.856 119.800 -0.200 0.000 2.428 151 Q HA 0.479 4.819 4.340 -0.000 0.000 0.276 151 Q C 0.695 176.677 176.000 -0.029 0.000 1.059 151 Q CA 0.473 56.234 55.803 -0.069 0.000 0.923 151 Q CB 0.378 29.104 28.738 -0.019 0.000 1.283 151 Q HN 0.739 nan 8.270 nan 0.000 0.447 152 G N 1.151 109.958 108.800 0.012 0.000 2.451 152 G HA2 0.335 4.295 3.960 -0.000 0.000 0.292 152 G HA3 0.335 4.295 3.960 -0.000 0.000 0.292 152 G C -3.080 171.885 174.900 0.109 0.000 1.427 152 G CA -0.886 44.229 45.100 0.025 0.000 0.792 152 G HN 0.387 nan 8.290 nan 0.000 0.498 153 P HA 0.471 nan 4.420 nan 0.000 0.278 153 P C -0.117 177.329 177.300 0.244 0.000 1.238 153 P CA -0.181 63.034 63.100 0.191 0.000 0.794 153 P CB 1.713 33.528 31.700 0.192 0.000 0.955 154 V N 0.659 120.713 119.914 0.234 0.000 3.040 154 V HA 0.626 4.746 4.120 -0.000 0.000 0.312 154 V C -1.494 174.773 176.094 0.287 0.000 1.115 154 V CA -1.094 61.388 62.300 0.303 0.000 0.998 154 V CB 2.163 34.209 31.823 0.373 0.000 1.042 154 V HN 0.493 nan 8.190 nan 0.000 0.433 155 Y N 2.889 123.235 120.300 0.077 0.000 2.391 155 Y HA 0.829 5.379 4.550 -0.000 0.000 0.341 155 Y C -1.223 174.628 175.900 -0.080 0.000 0.965 155 Y CA -1.218 56.870 58.100 -0.019 0.000 1.067 155 Y CB 2.030 40.455 38.460 -0.059 0.000 1.199 155 Y HN 0.898 nan 8.280 nan 0.000 0.450 156 L N 5.330 126.258 121.223 -0.492 0.000 2.406 156 L HA 0.609 4.949 4.340 -0.000 0.000 0.272 156 L C -1.139 175.382 176.870 -0.582 0.000 0.980 156 L CA -0.193 54.415 54.840 -0.386 0.000 0.831 156 L CB 1.932 43.943 42.059 -0.081 0.000 1.253 156 L HN 0.561 nan 8.230 nan 0.000 0.406 157 S N 4.208 119.619 115.700 -0.482 0.000 2.442 157 S HA 0.832 5.302 4.470 -0.000 0.000 0.297 157 S C -1.045 173.423 174.600 -0.220 0.000 1.131 157 S CA -0.450 57.532 58.200 -0.363 0.000 1.092 157 S CB 0.868 63.910 63.200 -0.262 0.000 0.998 157 S HN 0.464 nan 8.310 nan 0.000 0.478 158 V N 7.491 127.321 119.914 -0.140 0.000 2.443 158 V HA 0.429 4.549 4.120 -0.000 0.000 0.293 158 V C -2.479 173.568 176.094 -0.079 0.000 1.021 158 V CA -2.094 60.114 62.300 -0.153 0.000 0.848 158 V CB 1.590 33.291 31.823 -0.203 0.000 0.998 158 V HN 0.709 nan 8.190 nan 0.000 0.424 159 P HA 0.017 nan 4.420 nan 0.000 0.264 159 P C 0.312 177.586 177.300 -0.045 0.000 1.193 159 P CA 0.046 63.082 63.100 -0.107 0.000 0.763 159 P CB 0.183 31.776 31.700 -0.179 0.000 0.810 160 Y N 2.860 123.219 120.300 0.098 0.000 2.483 160 Y HA -0.154 4.395 4.550 -0.000 0.000 0.291 160 Y C 1.287 177.318 175.900 0.218 0.000 1.143 160 Y CA 1.195 59.449 58.100 0.256 0.000 1.289 160 Y CB -1.149 37.474 38.460 0.273 0.000 0.983 160 Y HN 0.289 nan 8.280 nan 0.000 0.556 161 D N -0.837 119.496 120.400 -0.111 0.000 2.340 161 D HA -0.094 4.546 4.640 -0.000 0.000 0.220 161 D C 0.566 176.860 176.300 -0.011 0.000 1.039 161 D CA 0.484 54.470 54.000 -0.024 0.000 0.866 161 D CB -0.234 40.453 40.800 -0.187 0.000 0.913 161 D HN 0.356 nan 8.370 nan 0.000 0.523 162 D N 0.604 120.927 120.400 -0.128 0.000 2.162 162 D HA -0.062 4.578 4.640 -0.000 0.000 0.203 162 D C 1.660 177.889 176.300 -0.118 0.000 0.967 162 D CA 0.598 54.467 54.000 -0.219 0.000 0.840 162 D CB -0.535 39.997 40.800 -0.446 0.000 0.972 162 D HN 0.367 nan 8.370 nan 0.000 0.482 163 W N 1.629 123.041 121.300 0.186 0.000 2.305 163 W HA -0.165 4.495 4.660 -0.000 0.000 0.308 163 W C 1.777 178.428 176.519 0.220 0.000 1.226 163 W CA 0.724 58.223 57.345 0.256 0.000 1.253 163 W CB -0.258 29.419 29.460 0.362 0.000 1.146 163 W HN -0.068 nan 8.180 nan 0.000 0.507 164 D N -0.194 120.422 120.400 0.360 0.000 2.317 164 D HA -0.046 4.594 4.640 -0.000 0.000 0.211 164 D C 0.978 177.375 176.300 0.161 0.000 0.966 164 D CA 0.836 54.974 54.000 0.230 0.000 0.876 164 D CB -0.266 40.641 40.800 0.178 0.000 0.927 164 D HN -0.041 nan 8.370 nan 0.000 0.519 165 K N 1.611 122.090 120.400 0.131 0.000 2.276 165 K HA 0.061 4.381 4.320 -0.000 0.000 0.259 165 K C 0.151 176.812 176.600 0.101 0.000 1.001 165 K CA -0.207 56.131 56.287 0.085 0.000 0.927 165 K CB 0.457 32.981 32.500 0.041 0.000 0.969 165 K HN -0.019 nan 8.250 nan 0.000 0.490 166 D N 0.477 120.924 120.400 0.079 0.000 2.382 166 D HA 0.159 4.799 4.640 -0.000 0.000 0.245 166 D C -0.067 176.284 176.300 0.086 0.000 1.120 166 D CA 0.151 54.202 54.000 0.085 0.000 0.890 166 D CB 0.863 41.703 40.800 0.065 0.000 1.201 166 D HN 0.450 nan 8.370 nan 0.000 0.433 167 A N 1.672 124.555 122.820 0.105 0.000 2.293 167 A HA 0.227 4.547 4.320 -0.000 0.000 0.302 167 A C 0.073 177.706 177.584 0.081 0.000 1.119 167 A CA -0.644 51.456 52.037 0.104 0.000 0.823 167 A CB 0.717 19.805 19.000 0.146 0.000 1.097 167 A HN 0.457 nan 8.150 nan 0.000 0.491 168 D N 1.466 121.904 120.400 0.063 0.000 2.383 168 D HA 0.221 4.861 4.640 -0.000 0.000 0.252 168 D C -1.622 174.709 176.300 0.051 0.000 1.166 168 D CA -1.606 52.421 54.000 0.045 0.000 0.879 168 D CB 1.071 41.885 40.800 0.024 0.000 1.164 168 D HN 0.103 nan 8.370 nan 0.000 0.462 169 P HA -0.149 nan 4.420 nan 0.000 0.217 169 P C 1.002 178.375 177.300 0.121 0.000 1.148 169 P CA 0.976 64.131 63.100 0.092 0.000 0.828 169 P CB 0.235 31.984 31.700 0.082 0.000 0.783 170 Q N -0.893 118.944 119.800 0.061 0.000 2.541 170 Q HA -0.008 4.332 4.340 -0.000 0.000 0.215 170 Q C 1.883 177.788 176.000 -0.158 0.000 0.977 170 Q CA 0.843 56.650 55.803 0.007 0.000 0.934 170 Q CB -0.811 27.945 28.738 0.031 0.000 0.988 170 Q HN 0.283 nan 8.270 nan 0.000 0.521 171 S N 0.419 116.036 115.700 -0.139 0.000 2.447 171 S HA -0.127 4.343 4.470 -0.000 0.000 0.233 171 S C 1.587 175.830 174.600 -0.596 0.000 1.006 171 S CA 0.840 58.897 58.200 -0.238 0.000 0.957 171 S CB -0.335 62.806 63.200 -0.099 0.000 0.773 171 S HN 0.629 nan 8.310 nan 0.000 0.507 172 H N 0.583 119.258 119.070 -0.657 0.000 2.457 172 H HA -0.087 4.469 4.556 -0.000 0.000 0.297 172 H C 1.295 176.163 175.328 -0.766 0.000 1.092 172 H CA 1.433 56.815 56.048 -1.110 0.000 1.309 172 H CB -0.717 28.778 29.762 -0.446 0.000 1.382 172 H HN 0.488 nan 8.280 nan 0.000 0.535 173 H N 0.776 119.316 119.070 -0.884 0.000 2.543 173 H HA 0.016 4.572 4.556 -0.000 0.000 0.286 173 H C 2.340 177.509 175.328 -0.265 0.000 1.037 173 H CA 0.900 56.646 56.048 -0.503 0.000 1.250 173 H CB 0.323 29.810 29.762 -0.457 0.000 1.373 173 H HN 0.421 nan 8.280 nan 0.000 0.580 174 L N -0.827 120.263 121.223 -0.222 0.000 2.162 174 L HA -0.073 4.267 4.340 -0.000 0.000 0.205 174 L C 2.121 179.071 176.870 0.133 0.000 1.086 174 L CA 0.137 54.959 54.840 -0.029 0.000 0.778 174 L CB -0.419 41.635 42.059 -0.010 0.000 0.928 174 L HN 0.018 nan 8.230 nan 0.000 0.446 175 F N 1.007 121.021 119.950 0.107 0.000 2.048 175 F HA -0.323 4.204 4.527 -0.000 0.000 0.296 175 F C 1.785 177.652 175.800 0.112 0.000 1.109 175 F CA 1.295 59.360 58.000 0.108 0.000 1.214 175 F CB -0.907 38.155 39.000 0.104 0.000 0.963 175 F HN 0.190 nan 8.300 nan 0.000 0.491 176 D N -0.194 120.392 120.400 0.310 0.000 2.463 176 D HA 0.070 4.710 4.640 -0.000 0.000 0.224 176 D C 0.306 176.723 176.300 0.194 0.000 1.174 176 D CA -0.076 54.059 54.000 0.226 0.000 0.829 176 D CB -0.050 40.866 40.800 0.194 0.000 0.993 176 D HN 0.161 nan 8.370 nan 0.000 0.497 177 R N 1.085 121.698 120.500 0.189 0.000 2.522 177 R HA 0.058 4.398 4.340 -0.000 0.000 0.284 177 R C 0.251 176.636 176.300 0.142 0.000 1.032 177 R CA 0.284 56.459 56.100 0.126 0.000 1.049 177 R CB 0.583 30.924 30.300 0.069 0.000 0.956 177 R HN 0.148 nan 8.270 nan 0.000 0.422 178 H N 3.272 122.352 119.070 0.016 0.000 2.708 178 H HA 0.257 4.813 4.556 -0.000 0.000 0.320 178 H C -1.307 173.989 175.328 -0.054 0.000 0.991 178 H CA -0.587 55.475 56.048 0.025 0.000 1.243 178 H CB 0.999 30.783 29.762 0.035 0.000 1.446 178 H HN 0.215 nan 8.280 nan 0.000 0.502 179 V N 4.360 124.191 119.914 -0.138 0.000 2.398 179 V HA 0.281 4.401 4.120 -0.000 0.000 0.286 179 V C 0.378 176.475 176.094 0.005 0.000 1.026 179 V CA -0.543 61.699 62.300 -0.097 0.000 0.868 179 V CB 1.445 33.102 31.823 -0.277 0.000 0.982 179 V HN 0.755 nan 8.190 nan 0.000 0.443 180 S N 2.685 118.434 115.700 0.082 0.000 2.513 180 S HA 0.616 5.086 4.470 -0.000 0.000 0.299 180 S C 0.385 175.003 174.600 0.030 0.000 1.087 180 S CA 0.088 58.344 58.200 0.094 0.000 1.012 180 S CB 1.869 65.157 63.200 0.147 0.000 1.044 180 S HN 0.984 nan 8.310 nan 0.000 0.485 181 S N 1.830 117.542 115.700 0.019 0.000 2.937 181 S HA 0.202 4.672 4.470 -0.000 0.000 0.252 181 S C 0.224 174.823 174.600 -0.002 0.000 1.022 181 S CA -0.329 57.869 58.200 -0.004 0.000 1.079 181 S CB 0.203 63.391 63.200 -0.021 0.000 1.035 181 S HN 0.542 nan 8.310 nan 0.000 0.594 182 S N 2.811 118.520 115.700 0.015 0.000 4.120 182 S HA 0.415 4.885 4.470 -0.000 0.000 0.215 182 S C 0.304 174.906 174.600 0.004 0.000 1.347 182 S CA -0.225 57.983 58.200 0.013 0.000 0.889 182 S CB -1.281 61.936 63.200 0.028 0.000 1.585 182 S HN 0.711 nan 8.310 nan 0.000 0.447 183 V N 2.589 122.500 119.914 -0.005 0.000 3.019 183 V HA 0.997 5.117 4.120 -0.000 0.000 0.317 183 V C -0.666 175.422 176.094 -0.010 0.000 1.094 183 V CA -1.359 60.936 62.300 -0.008 0.000 1.000 183 V CB 1.876 33.691 31.823 -0.012 0.000 1.060 183 V HN 0.724 nan 8.190 nan 0.000 0.443 184 R N 1.809 122.303 120.500 -0.009 0.000 2.739 184 R HA 0.732 5.072 4.340 -0.000 0.000 0.271 184 R C -1.032 175.263 176.300 -0.009 0.000 1.010 184 R CA -0.983 55.112 56.100 -0.009 0.000 0.897 184 R CB 0.596 30.893 30.300 -0.005 0.000 1.236 184 R HN 0.848 nan 8.270 nan 0.000 0.466 185 L N 2.117 123.334 121.223 -0.009 0.000 2.573 185 L HA 0.093 4.433 4.340 -0.000 0.000 0.290 185 L C -0.374 176.491 176.870 -0.007 0.000 1.247 185 L CA 0.655 55.490 54.840 -0.009 0.000 0.876 185 L CB -0.201 41.853 42.059 -0.009 0.000 1.123 185 L HN 0.933 nan 8.230 nan 0.000 0.505 186 N N 2.043 120.739 118.700 -0.007 0.000 2.344 186 N HA -0.036 4.704 4.740 -0.000 0.000 0.236 186 N C 0.463 175.970 175.510 -0.005 0.000 1.279 186 N CA 0.100 53.146 53.050 -0.006 0.000 0.882 186 N CB 0.241 38.724 38.487 -0.007 0.000 1.110 186 N HN 0.601 nan 8.380 nan 0.000 0.436 187 D N -0.073 120.325 120.400 -0.004 0.000 2.127 187 D HA -0.288 4.352 4.640 -0.000 0.000 0.190 187 D C 1.573 177.871 176.300 -0.002 0.000 1.000 187 D CA 1.657 55.655 54.000 -0.003 0.000 0.839 187 D CB -0.511 40.287 40.800 -0.003 0.000 0.955 187 D HN 0.832 nan 8.370 nan 0.000 0.446 188 Q N 0.323 120.121 119.800 -0.003 0.000 2.045 188 Q HA -0.204 4.136 4.340 -0.000 0.000 0.206 188 Q C 1.320 177.318 176.000 -0.002 0.000 0.991 188 Q CA 1.905 57.707 55.803 -0.002 0.000 0.851 188 Q CB 0.026 28.763 28.738 -0.003 0.000 0.911 188 Q HN 0.160 nan 8.270 nan 0.000 0.418 189 D N 0.230 120.628 120.400 -0.004 0.000 2.178 189 D HA -0.122 4.518 4.640 -0.000 0.000 0.202 189 D C 1.838 178.136 176.300 -0.003 0.000 0.974 189 D CA 0.487 54.485 54.000 -0.004 0.000 0.841 189 D CB -0.136 40.661 40.800 -0.006 0.000 0.953 189 D HN 0.231 nan 8.370 nan 0.000 0.478 190 L N 1.103 122.325 121.223 -0.003 0.000 2.056 190 L HA -0.115 4.225 4.340 -0.000 0.000 0.207 190 L C 1.374 178.244 176.870 0.000 0.000 1.078 190 L CA 1.767 56.606 54.840 -0.001 0.000 0.749 190 L CB -0.419 41.640 42.059 -0.001 0.000 0.901 190 L HN -0.157 nan 8.230 nan 0.000 0.433 191 D N -0.320 120.080 120.400 0.001 0.000 2.144 191 D HA -0.172 4.468 4.640 -0.000 0.000 0.199 191 D C 2.345 178.647 176.300 0.002 0.000 0.984 191 D CA 1.679 55.681 54.000 0.002 0.000 0.834 191 D CB -0.050 40.751 40.800 0.002 0.000 0.955 191 D HN 0.432 nan 8.370 nan 0.000 0.465 192 I N 0.590 121.161 120.570 0.001 0.000 2.208 192 I HA -0.253 3.917 4.170 -0.000 0.000 0.245 192 I C 2.391 178.509 176.117 0.002 0.000 1.097 192 I CA 0.523 61.824 61.300 0.001 0.000 1.363 192 I CB -0.143 37.857 38.000 -0.000 0.000 1.051 192 I HN 0.024 nan 8.210 nan 0.000 0.413 193 L N 0.636 121.860 121.223 0.001 0.000 2.005 193 L HA -0.131 4.208 4.340 -0.000 0.000 0.207 193 L C 2.428 179.301 176.870 0.005 0.000 1.072 193 L CA 1.784 56.625 54.840 0.002 0.000 0.744 193 L CB -0.597 41.462 42.059 0.000 0.000 0.895 193 L HN -0.037 nan 8.230 nan 0.000 0.433 194 V N 0.034 119.951 119.914 0.006 0.000 2.332 194 V HA -0.336 3.783 4.120 -0.000 0.000 0.248 194 V C 2.632 178.731 176.094 0.009 0.000 1.055 194 V CA 2.189 64.494 62.300 0.008 0.000 1.038 194 V CB -0.822 31.006 31.823 0.008 0.000 0.651 194 V HN 0.474 nan 8.190 nan 0.000 0.450 195 K N 0.145 120.550 120.400 0.008 0.000 2.097 195 K HA -0.128 4.191 4.320 -0.000 0.000 0.206 195 K C 2.330 178.936 176.600 0.010 0.000 1.049 195 K CA 1.437 57.729 56.287 0.008 0.000 0.933 195 K CB -0.418 32.086 32.500 0.007 0.000 0.717 195 K HN 0.490 nan 8.250 nan 0.000 0.442 196 A N 1.480 124.306 122.820 0.009 0.000 1.902 196 A HA -0.135 4.185 4.320 -0.000 0.000 0.217 196 A C 2.116 179.709 177.584 0.015 0.000 1.181 196 A CA 1.250 53.294 52.037 0.011 0.000 0.623 196 A CB -0.586 18.419 19.000 0.009 0.000 0.818 196 A HN 0.150 nan 8.150 nan 0.000 0.443 197 L N -0.474 120.758 121.223 0.015 0.000 2.056 197 L HA -0.170 4.170 4.340 -0.000 0.000 0.207 197 L C 2.201 179.083 176.870 0.021 0.000 1.078 197 L CA 1.151 56.002 54.840 0.019 0.000 0.749 197 L CB -0.660 41.409 42.059 0.017 0.000 0.901 197 L HN 0.333 nan 8.230 nan 0.000 0.433 198 N N -0.338 118.373 118.700 0.018 0.000 2.223 198 N HA -0.125 4.615 4.740 -0.000 0.000 0.185 198 N C 1.929 177.450 175.510 0.018 0.000 1.016 198 N CA 1.325 54.385 53.050 0.018 0.000 0.863 198 N CB -0.129 38.367 38.487 0.015 0.000 0.983 198 N HN 0.181 nan 8.380 nan 0.000 0.429 199 S N 0.166 115.876 115.700 0.017 0.000 2.470 199 S HA 0.202 4.671 4.470 -0.000 0.000 0.225 199 S C 0.869 175.481 174.600 0.021 0.000 1.006 199 S CA -0.164 58.046 58.200 0.017 0.000 0.934 199 S CB 0.008 63.217 63.200 0.014 0.000 0.778 199 S HN 0.433 nan 8.310 nan 0.000 0.517 200 A N 2.237 125.072 122.820 0.026 0.000 2.566 200 A HA 0.223 4.543 4.320 -0.000 0.000 0.245 200 A C 1.412 179.017 177.584 0.036 0.000 1.056 200 A CA 0.305 52.362 52.037 0.034 0.000 0.757 200 A CB 0.082 19.108 19.000 0.043 0.000 0.979 200 A HN 0.443 nan 8.150 nan 0.000 0.508 201 S N 1.498 117.218 115.700 0.033 0.000 2.446 201 S HA -0.013 4.457 4.470 -0.000 0.000 0.225 201 S C 0.727 175.349 174.600 0.037 0.000 1.016 201 S CA 0.910 59.126 58.200 0.027 0.000 0.943 201 S CB -0.117 63.092 63.200 0.015 0.000 0.786 201 S HN 0.830 nan 8.310 nan 0.000 0.508 202 N N 1.908 120.643 118.700 0.059 0.000 2.697 202 N HA 0.352 5.092 4.740 -0.000 0.000 0.253 202 N C -3.205 172.449 175.510 0.240 0.000 1.604 202 N CA -1.698 51.412 53.050 0.101 0.000 0.772 202 N CB 1.293 39.781 38.487 0.000 0.000 1.267 202 N HN 0.127 nan 8.380 nan 0.000 0.510 203 P HA 0.334 nan 4.420 nan 0.000 0.272 203 P C -1.016 176.343 177.300 0.099 0.000 1.230 203 P CA -0.289 62.892 63.100 0.135 0.000 0.788 203 P CB 1.432 33.173 31.700 0.068 0.000 0.949 204 A N 2.089 124.885 122.820 -0.041 0.000 2.486 204 A HA 0.725 5.045 4.320 -0.000 0.000 0.300 204 A C -0.841 176.699 177.584 -0.074 0.000 1.048 204 A CA -0.760 51.160 52.037 -0.195 0.000 0.696 204 A CB 1.099 19.766 19.000 -0.555 0.000 1.278 204 A HN 0.425 nan 8.150 nan 0.000 0.405 205 I N 1.551 122.086 120.570 -0.058 0.000 2.474 205 I HA 0.524 4.694 4.170 -0.000 0.000 0.294 205 I C -0.937 175.177 176.117 -0.006 0.000 1.005 205 I CA -1.018 60.254 61.300 -0.046 0.000 1.113 205 I CB 2.157 40.094 38.000 -0.105 0.000 1.289 205 I HN 0.316 nan 8.210 nan 0.000 0.436 206 V N 7.040 126.963 119.914 0.014 0.000 2.444 206 V HA 0.463 4.582 4.120 -0.000 0.000 0.294 206 V C -0.199 175.910 176.094 0.025 0.000 1.022 206 V CA -0.505 61.815 62.300 0.033 0.000 0.850 206 V CB 1.819 33.677 31.823 0.057 0.000 0.992 206 V HN 0.468 nan 8.190 nan 0.000 0.426 207 L N 4.073 125.300 121.223 0.007 0.000 2.325 207 L HA 0.869 5.209 4.340 -0.000 0.000 0.278 207 L C 0.772 177.674 176.870 0.053 0.000 1.023 207 L CA -0.305 54.555 54.840 0.033 0.000 0.811 207 L CB 1.856 43.938 42.059 0.038 0.000 1.249 207 L HN 0.740 nan 8.230 nan 0.000 0.431 208 G N 0.956 109.797 108.800 0.068 0.000 2.667 208 G HA2 0.499 4.459 3.960 -0.000 0.000 0.310 208 G HA3 0.499 4.459 3.960 -0.000 0.000 0.310 208 G C -1.963 172.997 174.900 0.100 0.000 1.259 208 G CA -1.028 44.118 45.100 0.076 0.000 1.019 208 G HN 0.423 nan 8.290 nan 0.000 0.496 209 P HA -0.126 nan 4.420 nan 0.000 0.216 209 P C 0.673 178.047 177.300 0.124 0.000 1.150 209 P CA 1.183 64.361 63.100 0.130 0.000 0.837 209 P CB 0.245 32.020 31.700 0.125 0.000 0.786 210 D N -0.336 120.138 120.400 0.123 0.000 2.263 210 D HA -0.079 4.561 4.640 -0.000 0.000 0.208 210 D C 2.038 178.384 176.300 0.077 0.000 0.971 210 D CA 0.675 54.740 54.000 0.108 0.000 0.867 210 D CB -0.296 40.563 40.800 0.097 0.000 0.929 210 D HN 0.092 nan 8.370 nan 0.000 0.492 211 V N 1.073 121.036 119.914 0.081 0.000 2.307 211 V HA -0.232 3.888 4.120 -0.000 0.000 0.245 211 V C 2.202 178.340 176.094 0.075 0.000 1.045 211 V CA 1.852 64.197 62.300 0.074 0.000 1.024 211 V CB -0.360 31.518 31.823 0.090 0.000 0.651 211 V HN 0.069 nan 8.190 nan 0.000 0.449 212 D N 0.045 120.497 120.400 0.086 0.000 2.144 212 D HA -0.109 4.531 4.640 -0.000 0.000 0.200 212 D C 2.090 178.437 176.300 0.079 0.000 0.978 212 D CA 1.348 55.393 54.000 0.075 0.000 0.833 212 D CB -0.110 40.733 40.800 0.071 0.000 0.961 212 D HN 0.362 nan 8.370 nan 0.000 0.470 213 A N 0.313 123.189 122.820 0.093 0.000 1.933 213 A HA 0.056 4.376 4.320 -0.000 0.000 0.218 213 A C 2.232 179.853 177.584 0.061 0.000 1.175 213 A CA 1.881 53.974 52.037 0.092 0.000 0.628 213 A CB -0.778 18.282 19.000 0.100 0.000 0.814 213 A HN 0.298 nan 8.150 nan 0.000 0.444 214 A N -1.241 121.609 122.820 0.049 0.000 2.251 214 A HA 0.249 4.569 4.320 -0.000 0.000 0.209 214 A C 0.920 178.524 177.584 0.032 0.000 1.187 214 A CA 0.815 52.872 52.037 0.033 0.000 0.823 214 A CB -0.632 18.383 19.000 0.025 0.000 0.846 214 A HN 0.822 nan 8.150 nan 0.000 0.486 215 N N -2.164 116.559 118.700 0.038 0.000 2.727 215 N HA -0.228 4.512 4.740 -0.000 0.000 0.249 215 N C 0.415 175.940 175.510 0.024 0.000 1.048 215 N CA 1.017 54.084 53.050 0.028 0.000 0.714 215 N CB -1.344 37.155 38.487 0.021 0.000 0.959 215 N HN 0.548 nan 8.380 nan 0.000 0.544 216 A N -0.650 122.190 122.820 0.034 0.000 2.345 216 A HA 0.211 4.531 4.320 -0.000 0.000 0.225 216 A C 1.641 179.251 177.584 0.043 0.000 1.243 216 A CA 0.436 52.494 52.037 0.035 0.000 0.875 216 A CB -0.075 18.948 19.000 0.039 0.000 0.929 216 A HN 0.535 nan 8.150 nan 0.000 0.502 217 N N 1.901 120.622 118.700 0.034 0.000 2.018 217 N HA -0.216 4.524 4.740 -0.000 0.000 0.196 217 N C 1.895 177.392 175.510 -0.021 0.000 1.043 217 N CA 2.047 55.111 53.050 0.023 0.000 0.856 217 N CB -0.530 37.944 38.487 -0.021 0.000 1.042 217 N HN 0.450 nan 8.380 nan 0.000 0.423 218 A N 1.203 124.001 122.820 -0.037 0.000 1.873 218 A HA -0.217 4.102 4.320 -0.000 0.000 0.218 218 A C 1.787 179.364 177.584 -0.013 0.000 1.193 218 A CA 2.041 54.050 52.037 -0.048 0.000 0.629 218 A CB -0.819 18.162 19.000 -0.032 0.000 0.826 218 A HN 0.204 nan 8.150 nan 0.000 0.447 219 D N -0.657 119.750 120.400 0.012 0.000 2.149 219 D HA -0.128 4.512 4.640 -0.000 0.000 0.198 219 D C 1.999 178.333 176.300 0.057 0.000 0.990 219 D CA 1.380 55.397 54.000 0.029 0.000 0.839 219 D CB -0.545 40.271 40.800 0.028 0.000 0.948 219 D HN 0.462 nan 8.370 nan 0.000 0.460 220 C N 0.061 119.415 119.300 0.089 0.000 2.435 220 C HA -0.034 4.425 4.460 -0.000 0.000 0.279 220 C C 2.908 178.058 174.990 0.267 0.000 1.321 220 C CA -0.012 59.105 59.018 0.165 0.000 1.752 220 C CB -0.693 27.181 27.740 0.224 0.000 1.959 220 C HN 0.169 nan 8.230 nan 0.000 0.500 221 V N 1.008 121.015 119.914 0.155 0.000 2.295 221 V HA -0.314 3.806 4.120 -0.000 0.000 0.246 221 V C 2.383 178.523 176.094 0.076 0.000 1.049 221 V CA 2.448 64.751 62.300 0.005 0.000 1.024 221 V CB -0.679 30.975 31.823 -0.283 0.000 0.648 221 V HN 0.625 nan 8.190 nan 0.000 0.447 222 M N -0.281 119.353 119.600 0.056 0.000 2.065 222 M HA -0.201 4.278 4.480 -0.000 0.000 0.259 222 M C 2.073 178.416 176.300 0.071 0.000 1.069 222 M CA 2.148 57.484 55.300 0.061 0.000 1.110 222 M CB -0.433 32.191 32.600 0.040 0.000 1.328 222 M HN 0.289 nan 8.290 nan 0.000 0.405 223 L N 0.883 122.147 121.223 0.068 0.000 2.043 223 L HA -0.157 4.182 4.340 -0.000 0.000 0.212 223 L C 2.442 179.347 176.870 0.057 0.000 1.075 223 L CA 2.440 57.313 54.840 0.056 0.000 0.752 223 L CB -1.193 40.896 42.059 0.049 0.000 0.891 223 L HN 0.439 nan 8.230 nan 0.000 0.432 224 A N -1.005 121.862 122.820 0.077 0.000 1.933 224 A HA -0.206 4.114 4.320 -0.000 0.000 0.218 224 A C 2.135 179.773 177.584 0.090 0.000 1.175 224 A CA 1.746 53.816 52.037 0.054 0.000 0.628 224 A CB -0.580 18.446 19.000 0.044 0.000 0.814 224 A HN 0.649 nan 8.150 nan 0.000 0.444 225 E N -0.535 119.742 120.200 0.127 0.000 2.107 225 E HA -0.143 4.207 4.350 -0.000 0.000 0.191 225 E C 2.270 178.922 176.600 0.087 0.000 0.982 225 E CA 0.713 57.197 56.400 0.141 0.000 0.809 225 E CB -0.146 29.652 29.700 0.164 0.000 0.756 225 E HN 0.415 nan 8.360 nan 0.000 0.459 226 R N 0.764 121.305 120.500 0.068 0.000 2.073 226 R HA -0.070 4.269 4.340 -0.000 0.000 0.234 226 R C 2.345 178.672 176.300 0.045 0.000 1.134 226 R CA 0.952 57.081 56.100 0.049 0.000 0.952 226 R CB -0.750 29.574 30.300 0.041 0.000 0.850 226 R HN 0.249 nan 8.270 nan 0.000 0.433 227 L N 1.449 122.699 121.223 0.044 0.000 2.552 227 L HA 0.036 4.376 4.340 -0.000 0.000 0.227 227 L C 0.158 177.054 176.870 0.045 0.000 1.146 227 L CA 0.169 55.032 54.840 0.039 0.000 0.858 227 L CB -0.221 41.857 42.059 0.032 0.000 0.969 227 L HN 0.061 nan 8.230 nan 0.000 0.451 228 K N -0.192 120.241 120.400 0.054 0.000 3.077 228 K HA -0.182 4.138 4.320 -0.000 0.000 0.264 228 K C 0.002 176.634 176.600 0.053 0.000 1.008 228 K CA 0.877 57.199 56.287 0.060 0.000 0.740 228 K CB -1.911 30.619 32.500 0.050 0.000 1.273 228 K HN 0.366 nan 8.250 nan 0.000 0.477 229 A N 0.972 123.814 122.820 0.037 0.000 2.337 229 A HA 0.723 5.043 4.320 -0.000 0.000 0.331 229 A C -2.180 175.373 177.584 -0.052 0.000 1.137 229 A CA -1.462 50.581 52.037 0.010 0.000 0.807 229 A CB 1.162 20.161 19.000 -0.003 0.000 1.250 229 A HN -0.009 nan 8.150 nan 0.000 0.468 230 P HA 0.345 nan 4.420 nan 0.000 0.274 230 P C -0.831 176.254 177.300 -0.359 0.000 1.231 230 P CA -0.037 62.919 63.100 -0.240 0.000 0.790 230 P CB 1.143 32.704 31.700 -0.232 0.000 0.951 231 V N 2.753 122.334 119.914 -0.556 0.000 2.540 231 V HA 0.380 4.500 4.120 -0.000 0.000 0.302 231 V C -0.577 175.100 176.094 -0.696 0.000 1.035 231 V CA -0.281 61.669 62.300 -0.583 0.000 0.873 231 V CB 1.318 32.574 31.823 -0.945 0.000 0.992 231 V HN 0.598 nan 8.190 nan 0.000 0.428 232 W N 2.493 123.563 121.300 -0.384 0.000 2.719 232 W HA 0.761 5.421 4.660 -0.000 0.000 0.352 232 W C -0.579 175.763 176.519 -0.295 0.000 1.085 232 W CA -0.906 56.189 57.345 -0.417 0.000 1.187 232 W CB 1.552 30.779 29.460 -0.388 0.000 1.417 232 W HN 0.280 nan 8.180 nan 0.000 0.557 233 V N 2.814 122.686 119.914 -0.070 0.000 2.427 233 V HA 0.593 4.712 4.120 -0.000 0.000 0.286 233 V C 0.546 176.527 176.094 -0.189 0.000 1.034 233 V CA -1.282 60.950 62.300 -0.114 0.000 0.893 233 V CB 0.464 32.111 31.823 -0.293 0.000 0.982 233 V HN 0.692 nan 8.190 nan 0.000 0.452 234 A N 8.396 131.142 122.820 -0.123 0.000 2.555 234 A HA 0.362 4.682 4.320 -0.000 0.000 0.233 234 A C -1.806 175.657 177.584 -0.202 0.000 1.060 234 A CA -0.629 51.315 52.037 -0.155 0.000 0.759 234 A CB -0.429 18.564 19.000 -0.011 0.000 0.995 234 A HN 0.705 nan 8.150 nan 0.000 0.506 235 P HA 0.041 nan 4.420 nan 0.000 0.268 235 P C 0.028 177.267 177.300 -0.101 0.000 1.208 235 P CA 0.704 63.684 63.100 -0.199 0.000 0.777 235 P CB 0.502 32.090 31.700 -0.187 0.000 0.875 236 S N -1.406 114.243 115.700 -0.085 0.000 3.635 236 S HA -0.179 4.291 4.470 -0.000 0.000 0.328 236 S C 0.665 175.309 174.600 0.072 0.000 1.135 236 S CA 0.701 58.906 58.200 0.009 0.000 0.942 236 S CB -2.207 61.046 63.200 0.088 0.000 0.930 236 S HN 0.974 nan 8.310 nan 0.000 0.512 237 A N 0.777 123.599 122.820 0.004 0.000 2.563 237 A HA 0.306 4.626 4.320 -0.000 0.000 0.256 237 A C -0.607 177.237 177.584 0.433 0.000 1.056 237 A CA -0.162 51.974 52.037 0.165 0.000 0.775 237 A CB 0.073 19.127 19.000 0.089 0.000 0.973 237 A HN 0.321 nan 8.150 nan 0.000 0.516 238 P HA 0.077 nan 4.420 nan 0.000 0.235 238 P C 0.198 177.721 177.300 0.371 0.000 1.177 238 P CA 0.775 64.100 63.100 0.375 0.000 0.785 238 P CB 0.369 32.177 31.700 0.179 0.000 0.885 239 R N -2.678 118.054 120.500 0.386 0.000 2.781 239 R HA 0.548 4.888 4.340 -0.000 0.000 0.269 239 R C -1.449 175.103 176.300 0.420 0.000 1.025 239 R CA -0.804 55.467 56.100 0.284 0.000 0.914 239 R CB 1.038 31.395 30.300 0.095 0.000 1.236 239 R HN -0.156 nan 8.270 nan 0.000 0.465 240 C N 2.932 122.395 119.300 0.272 0.000 2.264 240 C HA 0.524 4.984 4.460 -0.000 0.000 0.324 240 C C -1.697 173.392 174.990 0.165 0.000 1.267 240 C CA -1.877 57.316 59.018 0.291 0.000 1.618 240 C CB 0.687 28.446 27.740 0.031 0.000 2.278 240 C HN 0.627 nan 8.230 nan 0.000 0.499 241 P HA 0.222 nan 4.420 nan 0.000 0.268 241 P C -0.336 177.107 177.300 0.238 0.000 1.329 241 P CA 0.229 63.433 63.100 0.173 0.000 0.899 241 P CB 0.117 31.920 31.700 0.172 0.000 1.378 242 F N 1.764 121.679 119.950 -0.058 0.000 2.665 242 F HA 0.442 4.969 4.527 -0.000 0.000 0.308 242 F C -2.606 173.012 175.800 -0.302 0.000 1.112 242 F CA -2.301 55.610 58.000 -0.149 0.000 0.972 242 F CB 2.147 41.089 39.000 -0.097 0.000 1.295 242 F HN -0.331 nan 8.300 nan 0.000 0.440 243 P HA 0.065 nan 4.420 nan 0.000 0.265 243 P C 0.491 177.542 177.300 -0.415 0.000 1.222 243 P CA 0.178 63.058 63.100 -0.366 0.000 0.767 243 P CB 0.736 32.242 31.700 -0.324 0.000 0.801 244 T N 0.934 115.178 114.554 -0.516 0.000 3.077 244 T HA -0.067 4.283 4.350 -0.000 0.000 0.269 244 T C 1.138 175.786 174.700 -0.087 0.000 1.146 244 T CA 0.707 62.393 62.100 -0.690 0.000 1.091 244 T CB -0.349 68.325 68.868 -0.324 0.000 0.892 244 T HN 0.239 nan 8.240 nan 0.000 0.533 245 R N 0.250 120.730 120.500 -0.032 0.000 2.508 245 R HA 0.207 4.547 4.340 -0.000 0.000 0.300 245 R C 0.269 176.626 176.300 0.095 0.000 0.970 245 R CA -0.349 55.788 56.100 0.062 0.000 1.102 245 R CB -0.330 29.974 30.300 0.007 0.000 1.246 245 R HN 0.598 nan 8.270 nan 0.000 0.539 246 H N 3.402 122.493 119.070 0.035 0.000 2.815 246 H HA 0.066 4.622 4.556 -0.000 0.000 0.350 246 H C -1.379 174.035 175.328 0.142 0.000 1.080 246 H CA -1.231 54.852 56.048 0.058 0.000 1.433 246 H CB 1.596 31.373 29.762 0.024 0.000 1.432 246 H HN -0.129 nan 8.280 nan 0.000 0.592 247 P HA -0.178 nan 4.420 nan 0.000 0.217 247 P C 1.367 178.803 177.300 0.227 0.000 1.148 247 P CA 1.255 64.383 63.100 0.046 0.000 0.834 247 P CB -0.056 31.584 31.700 -0.099 0.000 0.783 248 C N -2.284 117.366 119.300 0.583 0.000 2.464 248 C HA 0.126 4.586 4.460 -0.000 0.000 0.278 248 C C 1.488 176.521 174.990 0.073 0.000 1.375 248 C CA -0.629 58.556 59.018 0.277 0.000 1.761 248 C CB -1.887 25.997 27.740 0.240 0.000 1.944 248 C HN 0.107 nan 8.230 nan 0.000 0.509 249 F N 2.354 122.355 119.950 0.084 0.000 2.623 249 F HA 0.081 4.608 4.527 -0.000 0.000 0.383 249 F C 1.283 176.900 175.800 -0.304 0.000 1.077 249 F CA 0.539 58.475 58.000 -0.106 0.000 1.268 249 F CB 0.443 39.519 39.000 0.128 0.000 1.053 249 F HN 0.053 nan 8.300 nan 0.000 0.571 250 R N 3.868 123.606 120.500 -1.269 0.000 2.565 250 R HA 0.302 4.642 4.340 -0.000 0.000 0.347 250 R C 0.625 176.134 176.300 -1.319 0.000 1.010 250 R CA 0.345 55.616 56.100 -1.382 0.000 1.126 250 R CB -0.013 28.957 30.300 -2.216 0.000 1.331 250 R HN 0.969 nan 8.270 nan 0.000 0.552 251 G N 1.334 109.028 108.800 -1.844 0.000 2.725 251 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.220 251 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.220 251 G C -0.873 173.659 174.900 -0.613 0.000 1.357 251 G CA -0.481 43.986 45.100 -1.055 0.000 0.866 251 G HN 0.206 nan 8.290 nan 0.000 0.548 252 L N 0.700 121.626 121.223 -0.495 0.000 2.319 252 L HA 0.693 5.033 4.340 -0.000 0.000 0.280 252 L C 1.079 177.754 176.870 -0.325 0.000 1.099 252 L CA -0.201 54.268 54.840 -0.618 0.000 0.828 252 L CB 0.563 41.998 42.059 -1.040 0.000 1.150 252 L HN 0.607 nan 8.230 nan 0.000 0.442 253 M N 7.792 127.216 119.600 -0.293 0.000 2.228 253 M HA 0.277 4.757 4.480 -0.000 0.000 0.351 253 M C -1.998 174.139 176.300 -0.272 0.000 1.233 253 M CA -1.520 53.598 55.300 -0.304 0.000 1.129 253 M CB 0.511 32.843 32.600 -0.448 0.000 1.604 253 M HN 0.493 nan 8.290 nan 0.000 0.457 254 P HA 0.100 nan 4.420 nan 0.000 0.275 254 P C -0.697 176.542 177.300 -0.102 0.000 1.227 254 P CA -0.208 62.806 63.100 -0.144 0.000 0.781 254 P CB 0.580 32.213 31.700 -0.112 0.000 0.906 255 A N 2.988 125.790 122.820 -0.029 0.000 2.900 255 A HA 0.413 4.733 4.320 -0.000 0.000 0.246 255 A C 0.942 178.646 177.584 0.200 0.000 1.725 255 A CA 0.124 52.217 52.037 0.093 0.000 1.400 255 A CB -1.431 17.663 19.000 0.157 0.000 0.973 255 A HN 0.638 nan 8.150 nan 0.000 0.635 256 G N -0.803 108.079 108.800 0.137 0.000 2.566 256 G HA2 0.489 4.449 3.960 -0.000 0.000 0.311 256 G HA3 0.489 4.449 3.960 -0.000 0.000 0.311 256 G C 0.663 175.542 174.900 -0.034 0.000 1.322 256 G CA -0.645 44.474 45.100 0.033 0.000 0.969 256 G HN 0.181 nan 8.290 nan 0.000 0.490 257 I N 1.678 122.012 120.570 -0.394 0.000 2.099 257 I HA -0.269 3.901 4.170 -0.000 0.000 0.239 257 I C 3.095 179.101 176.117 -0.184 0.000 1.066 257 I CA 1.878 62.896 61.300 -0.469 0.000 1.324 257 I CB -0.143 37.460 38.000 -0.662 0.000 1.037 257 I HN 0.558 nan 8.210 nan 0.000 0.401 258 A N 0.727 123.414 122.820 -0.221 0.000 1.883 258 A HA -0.206 4.114 4.320 -0.000 0.000 0.217 258 A C 2.559 180.067 177.584 -0.126 0.000 1.186 258 A CA 2.057 53.995 52.037 -0.165 0.000 0.624 258 A CB -1.043 17.851 19.000 -0.177 0.000 0.822 258 A HN 0.463 nan 8.150 nan 0.000 0.444 259 A N -0.171 122.574 122.820 -0.125 0.000 1.917 259 A HA -0.172 4.148 4.320 -0.000 0.000 0.219 259 A C 2.154 179.631 177.584 -0.179 0.000 1.182 259 A CA 1.793 53.752 52.037 -0.131 0.000 0.633 259 A CB -0.641 18.288 19.000 -0.118 0.000 0.819 259 A HN 0.533 nan 8.150 nan 0.000 0.448 260 I N 0.365 120.836 120.570 -0.165 0.000 2.286 260 I HA -0.204 3.966 4.170 -0.000 0.000 0.245 260 I C 2.822 178.826 176.117 -0.189 0.000 1.104 260 I CA 1.447 62.593 61.300 -0.256 0.000 1.397 260 I CB -0.274 37.576 38.000 -0.250 0.000 1.072 260 I HN 0.519 nan 8.210 nan 0.000 0.417 261 S N 0.170 115.827 115.700 -0.071 0.000 2.423 261 S HA -0.248 4.221 4.470 -0.000 0.000 0.231 261 S C 1.899 176.458 174.600 -0.068 0.000 1.014 261 S CA 1.001 59.184 58.200 -0.029 0.000 0.965 261 S CB -0.324 62.877 63.200 0.003 0.000 0.785 261 S HN 0.345 nan 8.310 nan 0.000 0.495 262 Q N 1.089 120.829 119.800 -0.100 0.000 2.046 262 Q HA 0.100 4.439 4.340 -0.000 0.000 0.200 262 Q C 1.973 177.907 176.000 -0.110 0.000 0.975 262 Q CA 1.205 56.953 55.803 -0.092 0.000 0.836 262 Q CB -0.809 27.872 28.738 -0.096 0.000 0.896 262 Q HN 0.459 nan 8.270 nan 0.000 0.428 263 L N -0.185 120.912 121.223 -0.209 0.000 2.042 263 L HA -0.124 4.216 4.340 -0.000 0.000 0.210 263 L C 1.993 178.746 176.870 -0.195 0.000 1.076 263 L CA 1.632 56.281 54.840 -0.318 0.000 0.749 263 L CB -0.578 41.039 42.059 -0.738 0.000 0.893 263 L HN 0.311 nan 8.230 nan 0.000 0.432 264 L N -1.068 120.049 121.223 -0.176 0.000 2.554 264 L HA -0.018 4.322 4.340 -0.000 0.000 0.226 264 L C 1.005 177.952 176.870 0.129 0.000 1.137 264 L CA -0.170 54.666 54.840 -0.006 0.000 0.863 264 L CB -0.392 41.630 42.059 -0.061 0.000 0.985 264 L HN 0.257 nan 8.230 nan 0.000 0.451 265 E N 0.545 120.771 120.200 0.043 0.000 2.465 265 E HA 0.113 4.463 4.350 -0.000 0.000 0.260 265 E C 1.115 177.706 176.600 -0.015 0.000 0.980 265 E CA 0.845 57.256 56.400 0.017 0.000 0.927 265 E CB 0.391 30.084 29.700 -0.013 0.000 0.934 265 E HN 0.299 nan 8.360 nan 0.000 0.459 266 G N 4.123 112.894 108.800 -0.049 0.000 2.234 266 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.235 266 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.235 266 G C -0.119 174.644 174.900 -0.229 0.000 0.997 266 G CA 0.021 45.033 45.100 -0.147 0.000 0.623 266 G HN 0.708 nan 8.290 nan 0.000 0.514 267 H N 1.852 120.931 119.070 0.016 0.000 2.594 267 H HA 0.260 4.816 4.556 -0.000 0.000 0.304 267 H C 1.190 176.529 175.328 0.019 0.000 1.068 267 H CA 0.243 56.305 56.048 0.024 0.000 1.308 267 H CB 1.437 31.220 29.762 0.035 0.000 1.409 267 H HN 0.469 nan 8.280 nan 0.000 0.460 268 D N 2.452 122.914 120.400 0.103 0.000 2.144 268 D HA -0.088 4.552 4.640 -0.000 0.000 0.200 268 D C 0.484 176.827 176.300 0.071 0.000 0.978 268 D CA 0.599 54.638 54.000 0.066 0.000 0.833 268 D CB 0.364 41.188 40.800 0.041 0.000 0.961 268 D HN 0.111 nan 8.370 nan 0.000 0.470 269 V N 1.092 121.058 119.914 0.087 0.000 2.525 269 V HA 0.300 4.420 4.120 -0.000 0.000 0.299 269 V C -0.495 175.636 176.094 0.061 0.000 1.034 269 V CA -0.981 61.356 62.300 0.062 0.000 0.863 269 V CB 2.498 34.348 31.823 0.045 0.000 0.999 269 V HN -0.070 nan 8.190 nan 0.000 0.423 270 V N 6.073 126.015 119.914 0.046 0.000 2.357 270 V HA 0.449 4.569 4.120 -0.000 0.000 0.284 270 V C -0.400 175.708 176.094 0.024 0.000 1.018 270 V CA -0.561 61.757 62.300 0.030 0.000 0.841 270 V CB 1.619 33.470 31.823 0.046 0.000 0.991 270 V HN 0.659 nan 8.190 nan 0.000 0.437 271 L N 7.511 128.743 121.223 0.014 0.000 2.265 271 L HA 0.620 4.960 4.340 -0.000 0.000 0.289 271 L C -0.347 176.534 176.870 0.019 0.000 1.033 271 L CA 0.222 55.069 54.840 0.010 0.000 0.814 271 L CB 1.424 43.486 42.059 0.005 0.000 1.203 271 L HN 0.438 nan 8.230 nan 0.000 0.423 272 V N 6.857 126.783 119.914 0.020 0.000 2.435 272 V HA 0.506 4.626 4.120 -0.000 0.000 0.290 272 V C 0.131 176.235 176.094 0.016 0.000 1.030 272 V CA -0.434 61.890 62.300 0.039 0.000 0.881 272 V CB 1.461 33.313 31.823 0.048 0.000 0.983 272 V HN 0.602 nan 8.190 nan 0.000 0.445 273 I N 3.157 123.742 120.570 0.026 0.000 2.466 273 I HA 0.585 4.755 4.170 -0.000 0.000 0.289 273 I C 0.995 177.132 176.117 0.034 0.000 1.026 273 I CA -0.588 60.724 61.300 0.022 0.000 1.078 273 I CB 1.843 39.858 38.000 0.024 0.000 1.249 273 I HN 0.830 nan 8.210 nan 0.000 0.429 274 G N 4.520 113.335 108.800 0.027 0.000 2.323 274 G HA2 -0.018 3.942 3.960 -0.000 0.000 0.292 274 G HA3 -0.018 3.942 3.960 -0.000 0.000 0.292 274 G C -0.063 174.874 174.900 0.062 0.000 1.040 274 G CA 0.435 45.561 45.100 0.042 0.000 0.942 274 G HN 1.093 nan 8.290 nan 0.000 0.506 275 A N -0.897 121.952 122.820 0.049 0.000 2.594 275 A HA 0.924 5.243 4.320 -0.000 0.000 0.295 275 A C -2.938 174.656 177.584 0.017 0.000 1.071 275 A CA -1.317 50.752 52.037 0.054 0.000 0.685 275 A CB 1.743 20.790 19.000 0.078 0.000 1.285 275 A HN 0.102 nan 8.150 nan 0.000 0.405 276 P HA 0.403 nan 4.420 nan 0.000 0.277 276 P C -0.761 176.460 177.300 -0.132 0.000 1.240 276 P CA -0.253 62.815 63.100 -0.053 0.000 0.798 276 P CB 1.017 32.694 31.700 -0.037 0.000 0.979 277 V N 3.759 123.487 119.914 -0.310 0.000 2.257 277 V HA 0.393 4.513 4.120 -0.000 0.000 0.269 277 V C -0.455 175.290 176.094 -0.583 0.000 1.040 277 V CA 0.058 61.890 62.300 -0.780 0.000 0.813 277 V CB -1.193 30.134 31.823 -0.826 0.000 1.065 277 V HN 0.460 nan 8.190 nan 0.000 0.457 278 F N 1.981 121.670 119.950 -0.436 0.000 2.599 278 F HA 0.559 5.085 4.527 -0.000 0.000 0.311 278 F C 0.472 175.887 175.800 -0.641 0.000 1.076 278 F CA -1.307 56.338 58.000 -0.590 0.000 0.937 278 F CB 2.180 40.662 39.000 -0.864 0.000 1.282 278 F HN 0.150 nan 8.300 nan 0.000 0.460 279 R N 2.447 122.854 120.500 -0.155 0.000 3.688 279 R HA 0.184 4.524 4.340 -0.000 0.000 0.194 279 R C -1.265 174.997 176.300 -0.063 0.000 1.677 279 R CA 0.035 56.081 56.100 -0.090 0.000 1.351 279 R CB -1.138 29.148 30.300 -0.024 0.000 1.338 279 R HN 0.431 nan 8.270 nan 0.000 0.731 280 Y N 0.613 120.991 120.300 0.129 0.000 2.385 280 Y HA 0.003 4.553 4.550 -0.000 0.000 0.346 280 Y C 1.568 177.552 175.900 0.140 0.000 1.270 280 Y CA 0.208 58.383 58.100 0.124 0.000 1.472 280 Y CB 0.453 39.001 38.460 0.147 0.000 1.354 280 Y HN 0.489 nan 8.280 nan 0.000 0.611 281 H N -0.283 118.915 119.070 0.213 0.000 3.539 281 H HA 0.073 4.629 4.556 -0.000 0.000 0.134 281 H C -0.067 175.305 175.328 0.074 0.000 1.139 281 H CA 0.416 56.528 56.048 0.107 0.000 1.031 281 H CB -0.023 29.773 29.762 0.057 0.000 1.174 281 H HN 0.679 nan 8.280 nan 0.000 0.297 282 Q N 1.136 121.041 119.800 0.174 0.000 2.454 282 Q HA -0.047 4.293 4.340 -0.000 0.000 0.247 282 Q C -0.804 175.287 176.000 0.152 0.000 1.028 282 Q CA -0.227 55.600 55.803 0.041 0.000 0.910 282 Q CB 0.462 29.160 28.738 -0.066 0.000 1.276 282 Q HN 0.458 nan 8.270 nan 0.000 0.489 283 Y N 1.618 121.936 120.300 0.030 0.000 2.539 283 Y HA 0.177 4.726 4.550 -0.000 0.000 0.352 283 Y C -0.915 174.977 175.900 -0.013 0.000 1.004 283 Y CA -0.738 57.373 58.100 0.017 0.000 1.278 283 Y CB 0.376 38.864 38.460 0.047 0.000 1.136 283 Y HN 0.734 nan 8.280 nan 0.000 0.528 284 D N 8.975 129.143 120.400 -0.387 0.000 2.613 284 D HA 0.263 4.902 4.640 -0.000 0.000 0.312 284 D C -2.891 173.095 176.300 -0.524 0.000 1.202 284 D CA -2.175 51.596 54.000 -0.381 0.000 0.825 284 D CB 0.630 41.312 40.800 -0.197 0.000 1.113 284 D HN 0.249 nan 8.370 nan 0.000 0.502 285 P HA 0.325 nan 4.420 nan 0.000 0.266 285 P C 0.455 177.526 177.300 -0.381 0.000 1.193 285 P CA 0.421 63.145 63.100 -0.626 0.000 0.770 285 P CB 1.453 32.759 31.700 -0.658 0.000 0.836 286 G N 1.724 110.316 108.800 -0.347 0.000 2.399 286 G HA2 0.097 4.057 3.960 -0.000 0.000 0.256 286 G HA3 0.097 4.057 3.960 -0.000 0.000 0.256 286 G C -1.641 173.081 174.900 -0.296 0.000 1.236 286 G CA -0.662 44.280 45.100 -0.262 0.000 0.914 286 G HN 0.476 nan 8.290 nan 0.000 0.482 287 Q N -0.525 119.150 119.800 -0.208 0.000 2.259 287 Q HA 0.460 4.800 4.340 -0.000 0.000 0.249 287 Q C 0.286 176.214 176.000 -0.121 0.000 0.914 287 Q CA -0.546 55.154 55.803 -0.171 0.000 0.904 287 Q CB 1.766 30.462 28.738 -0.071 0.000 1.213 287 Q HN 0.567 nan 8.270 nan 0.000 0.428 288 Y N 1.104 121.404 120.300 0.000 0.000 2.242 288 Y HA -0.073 4.477 4.550 -0.000 0.000 0.291 288 Y C 0.553 176.501 175.900 0.081 0.000 1.137 288 Y CA 0.523 58.658 58.100 0.060 0.000 1.181 288 Y CB 0.535 39.034 38.460 0.066 0.000 0.989 288 Y HN 0.370 nan 8.280 nan 0.000 0.527 289 L N 0.061 121.401 121.223 0.195 0.000 2.472 289 L HA 0.332 4.672 4.340 -0.000 0.000 0.260 289 L C -0.840 176.067 176.870 0.062 0.000 0.963 289 L CA -1.244 53.669 54.840 0.121 0.000 0.829 289 L CB 1.971 44.100 42.059 0.116 0.000 1.348 289 L HN -0.256 nan 8.230 nan 0.000 0.408 290 K N 1.789 122.211 120.400 0.037 0.000 2.202 290 K HA 0.381 4.701 4.320 -0.000 0.000 0.264 290 K C -2.375 174.237 176.600 0.020 0.000 1.010 290 K CA -1.709 54.587 56.287 0.015 0.000 0.940 290 K CB 0.666 33.166 32.500 0.001 0.000 0.983 290 K HN 0.194 nan 8.250 nan 0.000 0.475 291 P HA -0.015 nan 4.420 nan 0.000 0.266 291 P C 0.625 177.932 177.300 0.012 0.000 1.195 291 P CA 0.849 63.956 63.100 0.012 0.000 0.768 291 P CB 0.421 32.124 31.700 0.005 0.000 0.838 292 G N 1.163 109.972 108.800 0.015 0.000 2.213 292 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.236 292 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.236 292 G C 0.203 175.119 174.900 0.026 0.000 0.991 292 G CA -0.023 45.085 45.100 0.014 0.000 0.629 292 G HN 0.619 nan 8.290 nan 0.000 0.517 293 T N 1.418 115.993 114.554 0.035 0.000 2.771 293 T HA 0.617 4.967 4.350 -0.000 0.000 0.281 293 T C 0.029 174.756 174.700 0.045 0.000 0.982 293 T CA -0.347 61.784 62.100 0.052 0.000 0.978 293 T CB 1.876 70.783 68.868 0.065 0.000 0.930 293 T HN 0.527 nan 8.240 nan 0.000 0.447 294 R N 3.619 124.145 120.500 0.043 0.000 2.562 294 R HA 0.692 5.032 4.340 -0.000 0.000 0.298 294 R C -1.491 174.826 176.300 0.028 0.000 0.961 294 R CA -0.769 55.348 56.100 0.029 0.000 0.881 294 R CB 1.112 31.425 30.300 0.023 0.000 1.159 294 R HN 0.592 nan 8.270 nan 0.000 0.450 295 L N 5.601 126.831 121.223 0.010 0.000 2.346 295 L HA 0.595 4.935 4.340 -0.000 0.000 0.276 295 L C -1.323 175.532 176.870 -0.025 0.000 1.006 295 L CA -0.760 54.078 54.840 -0.002 0.000 0.817 295 L CB 1.634 43.683 42.059 -0.017 0.000 1.272 295 L HN 0.666 nan 8.230 nan 0.000 0.421 296 I N 3.749 124.306 120.570 -0.022 0.000 2.447 296 I HA 0.316 4.486 4.170 -0.000 0.000 0.287 296 I C -0.513 175.581 176.117 -0.040 0.000 1.023 296 I CA -0.329 60.954 61.300 -0.029 0.000 1.083 296 I CB 2.055 40.047 38.000 -0.014 0.000 1.245 296 I HN 0.522 nan 8.210 nan 0.000 0.434 297 S N 5.716 121.381 115.700 -0.059 0.000 2.454 297 S HA 0.631 5.101 4.470 -0.000 0.000 0.306 297 S C -0.766 173.806 174.600 -0.047 0.000 1.100 297 S CA -0.475 57.685 58.200 -0.066 0.000 1.087 297 S CB 1.294 64.425 63.200 -0.114 0.000 1.019 297 S HN 0.327 nan 8.310 nan 0.000 0.480 298 V N 4.920 124.815 119.914 -0.032 0.000 2.313 298 V HA 0.544 4.664 4.120 -0.000 0.000 0.278 298 V C 0.419 176.498 176.094 -0.025 0.000 1.017 298 V CA -0.459 61.827 62.300 -0.025 0.000 0.823 298 V CB 0.971 32.786 31.823 -0.013 0.000 1.010 298 V HN 0.939 nan 8.190 nan 0.000 0.443 299 T N 3.203 117.736 114.554 -0.034 0.000 2.916 299 T HA 0.291 4.641 4.350 -0.000 0.000 0.292 299 T C 0.836 175.504 174.700 -0.053 0.000 1.055 299 T CA -0.097 61.982 62.100 -0.035 0.000 1.009 299 T CB 1.481 70.327 68.868 -0.036 0.000 1.118 299 T HN 0.819 nan 8.240 nan 0.000 0.497 300 C N 1.320 120.571 119.300 -0.082 0.000 2.791 300 C HA 0.497 4.956 4.460 -0.000 0.000 0.270 300 C C 0.364 175.253 174.990 -0.168 0.000 1.257 300 C CA -0.543 58.397 59.018 -0.130 0.000 1.699 300 C CB -1.191 26.440 27.740 -0.180 0.000 1.904 300 C HN 0.736 nan 8.230 nan 0.000 0.603 301 D N 1.203 121.528 120.400 -0.126 0.000 2.481 301 D HA 0.362 5.001 4.640 -0.000 0.000 0.246 301 D C -1.943 174.333 176.300 -0.040 0.000 1.109 301 D CA -1.760 52.182 54.000 -0.098 0.000 0.845 301 D CB 2.178 42.959 40.800 -0.032 0.000 1.160 301 D HN -0.093 nan 8.370 nan 0.000 0.534 302 P HA -0.079 nan 4.420 nan 0.000 0.216 302 P C 1.752 179.054 177.300 0.004 0.000 1.150 302 P CA 0.806 63.898 63.100 -0.014 0.000 0.843 302 P CB 0.394 32.090 31.700 -0.006 0.000 0.787 303 L N -0.798 120.442 121.223 0.027 0.000 2.131 303 L HA -0.191 4.148 4.340 -0.000 0.000 0.210 303 L C 2.335 179.225 176.870 0.034 0.000 1.092 303 L CA 1.521 56.394 54.840 0.055 0.000 0.759 303 L CB -0.694 41.435 42.059 0.116 0.000 0.903 303 L HN 0.078 nan 8.230 nan 0.000 0.435 304 E N -0.084 120.126 120.200 0.018 0.000 2.046 304 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 304 E C 2.323 178.897 176.600 -0.043 0.000 0.982 304 E CA 0.988 57.384 56.400 -0.008 0.000 0.800 304 E CB -0.088 29.613 29.700 0.001 0.000 0.756 304 E HN 0.457 nan 8.360 nan 0.000 0.449 305 A N 1.234 124.029 122.820 -0.041 0.000 1.972 305 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 305 A C 2.292 179.844 177.584 -0.052 0.000 1.169 305 A CA 1.656 53.659 52.037 -0.056 0.000 0.635 305 A CB -0.501 18.472 19.000 -0.045 0.000 0.810 305 A HN 0.302 nan 8.150 nan 0.000 0.446 306 A N 0.785 123.586 122.820 -0.031 0.000 1.897 306 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 306 A C 2.167 179.731 177.584 -0.033 0.000 1.181 306 A CA 1.469 53.492 52.037 -0.024 0.000 0.620 306 A CB -0.427 18.572 19.000 -0.002 0.000 0.821 306 A HN 0.689 nan 8.150 nan 0.000 0.443 307 R N -0.310 120.172 120.500 -0.031 0.000 2.299 307 R HA 0.414 4.754 4.340 -0.000 0.000 0.197 307 R C 0.737 176.985 176.300 -0.087 0.000 0.971 307 R CA 0.563 56.641 56.100 -0.037 0.000 1.030 307 R CB -0.540 29.756 30.300 -0.006 0.000 0.932 307 R HN 0.272 nan 8.270 nan 0.000 0.477 308 A N 3.608 126.353 122.820 -0.124 0.000 2.545 308 A HA 0.133 4.453 4.320 -0.000 0.000 0.253 308 A C -1.420 176.029 177.584 -0.224 0.000 1.074 308 A CA -1.145 50.769 52.037 -0.205 0.000 0.760 308 A CB 0.155 19.024 19.000 -0.218 0.000 1.005 308 A HN 0.300 nan 8.150 nan 0.000 0.506 309 P HA 0.031 nan 4.420 nan 0.000 0.245 309 P C -0.164 176.918 177.300 -0.364 0.000 1.212 309 P CA 0.756 63.607 63.100 -0.416 0.000 0.774 309 P CB -0.126 31.070 31.700 -0.841 0.000 0.999 310 M N -3.010 116.415 119.600 -0.293 0.000 2.732 310 M HA 0.578 5.058 4.480 -0.000 0.000 0.272 310 M C -0.466 175.745 176.300 -0.148 0.000 1.203 310 M CA -0.050 55.146 55.300 -0.173 0.000 0.841 310 M CB 1.093 33.618 32.600 -0.124 0.000 1.685 310 M HN 0.034 nan 8.290 nan 0.000 0.492 311 G N 1.599 110.347 108.800 -0.088 0.000 2.829 311 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.628 311 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.628 311 G C -1.356 173.501 174.900 -0.072 0.000 1.412 311 G CA -0.116 44.938 45.100 -0.076 0.000 0.864 311 G HN 1.020 nan 8.290 nan 0.000 0.544 312 D N 0.049 120.415 120.400 -0.056 0.000 2.388 312 D HA 0.750 5.390 4.640 -0.000 0.000 0.254 312 D C 0.671 176.936 176.300 -0.059 0.000 1.111 312 D CA 0.878 54.849 54.000 -0.048 0.000 0.993 312 D CB 1.658 42.438 40.800 -0.032 0.000 1.118 312 D HN 1.267 nan 8.370 nan 0.000 0.502 313 A N 0.427 123.217 122.820 -0.050 0.000 2.572 313 A HA 0.716 5.036 4.320 -0.000 0.000 0.295 313 A C -1.234 176.327 177.584 -0.038 0.000 1.072 313 A CA -0.620 51.386 52.037 -0.052 0.000 0.691 313 A CB 1.266 20.228 19.000 -0.063 0.000 1.291 313 A HN 0.459 nan 8.150 nan 0.000 0.404 314 I N 1.487 122.036 120.570 -0.036 0.000 2.468 314 I HA 0.337 4.506 4.170 -0.000 0.000 0.285 314 I C -0.956 175.142 176.117 -0.032 0.000 1.039 314 I CA -0.846 60.437 61.300 -0.029 0.000 1.074 314 I CB 2.137 40.123 38.000 -0.023 0.000 1.228 314 I HN 0.309 nan 8.210 nan 0.000 0.436 315 V N 5.926 125.821 119.914 -0.032 0.000 2.348 315 V HA 0.820 4.940 4.120 -0.000 0.000 0.270 315 V C 0.377 176.450 176.094 -0.035 0.000 1.037 315 V CA -0.018 62.260 62.300 -0.037 0.000 0.872 315 V CB 0.557 32.358 31.823 -0.036 0.000 1.002 315 V HN 0.892 nan 8.190 nan 0.000 0.464 316 A N 3.733 126.530 122.820 -0.038 0.000 2.493 316 A HA 0.630 4.950 4.320 -0.000 0.000 0.300 316 A C -1.174 176.387 177.584 -0.038 0.000 1.152 316 A CA -0.756 51.261 52.037 -0.034 0.000 0.643 316 A CB 0.960 19.946 19.000 -0.023 0.000 1.316 316 A HN 0.663 nan 8.150 nan 0.000 0.469 317 D N 0.183 120.565 120.400 -0.030 0.000 2.383 317 D HA 0.308 4.947 4.640 -0.000 0.000 0.252 317 D C 1.116 177.405 176.300 -0.018 0.000 1.166 317 D CA -0.327 53.656 54.000 -0.028 0.000 0.879 317 D CB 0.343 41.133 40.800 -0.017 0.000 1.164 317 D HN 0.278 nan 8.370 nan 0.000 0.462 318 I N 3.747 124.305 120.570 -0.019 0.000 2.286 318 I HA -0.075 4.095 4.170 -0.000 0.000 0.248 318 I C 2.238 178.359 176.117 0.007 0.000 1.115 318 I CA 1.103 62.401 61.300 -0.003 0.000 1.392 318 I CB -1.549 36.453 38.000 0.004 0.000 1.065 318 I HN 0.657 nan 8.210 nan 0.000 0.418 319 G N 0.690 109.494 108.800 0.007 0.000 2.414 319 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.215 319 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.215 319 G C 1.883 176.789 174.900 0.010 0.000 1.188 319 G CA 1.019 46.127 45.100 0.012 0.000 0.783 319 G HN 0.472 nan 8.290 nan 0.000 0.537 320 A N 0.474 123.297 122.820 0.006 0.000 1.883 320 A HA -0.027 4.293 4.320 -0.000 0.000 0.217 320 A C 2.462 180.048 177.584 0.004 0.000 1.186 320 A CA 2.146 54.185 52.037 0.004 0.000 0.624 320 A CB -0.361 18.640 19.000 0.001 0.000 0.822 320 A HN 0.302 nan 8.150 nan 0.000 0.444 321 M N -0.552 119.050 119.600 0.002 0.000 2.099 321 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 321 M C 2.572 178.878 176.300 0.009 0.000 1.067 321 M CA 1.573 56.875 55.300 0.003 0.000 1.124 321 M CB -1.586 31.013 32.600 -0.001 0.000 1.353 321 M HN 0.487 nan 8.290 nan 0.000 0.410 322 A N -0.329 122.499 122.820 0.014 0.000 1.883 322 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 322 A C 2.506 180.103 177.584 0.021 0.000 1.186 322 A CA 2.507 54.557 52.037 0.022 0.000 0.624 322 A CB -1.067 17.950 19.000 0.029 0.000 0.822 322 A HN 0.508 nan 8.150 nan 0.000 0.444 323 S N -0.452 115.258 115.700 0.016 0.000 2.343 323 S HA -0.077 4.393 4.470 -0.000 0.000 0.219 323 S C 2.248 176.855 174.600 0.013 0.000 1.033 323 S CA 1.865 60.074 58.200 0.014 0.000 1.014 323 S CB -0.653 62.554 63.200 0.011 0.000 0.915 323 S HN 0.935 nan 8.310 nan 0.000 0.435 324 A N 1.666 124.492 122.820 0.010 0.000 1.873 324 A HA -0.065 4.255 4.320 -0.000 0.000 0.218 324 A C 2.318 179.908 177.584 0.010 0.000 1.193 324 A CA 1.869 53.910 52.037 0.008 0.000 0.629 324 A CB -1.093 17.910 19.000 0.005 0.000 0.826 324 A HN 0.600 nan 8.150 nan 0.000 0.447 325 L N -0.944 120.286 121.223 0.012 0.000 2.017 325 L HA -0.219 4.121 4.340 -0.000 0.000 0.208 325 L C 3.111 179.992 176.870 0.018 0.000 1.073 325 L CA 1.156 56.005 54.840 0.014 0.000 0.745 325 L CB -0.614 41.453 42.059 0.014 0.000 0.894 325 L HN 0.457 nan 8.230 nan 0.000 0.432 326 A N 0.103 122.936 122.820 0.021 0.000 1.978 326 A HA -0.186 4.134 4.320 -0.000 0.000 0.220 326 A C 1.817 179.414 177.584 0.021 0.000 1.170 326 A CA 1.819 53.871 52.037 0.025 0.000 0.636 326 A CB -0.455 18.561 19.000 0.027 0.000 0.810 326 A HN 0.514 nan 8.150 nan 0.000 0.448 327 N N -0.914 117.796 118.700 0.016 0.000 2.280 327 N HA 0.196 4.936 4.740 -0.000 0.000 0.192 327 N C 1.076 176.594 175.510 0.012 0.000 1.109 327 N CA 0.389 53.447 53.050 0.014 0.000 0.855 327 N CB 0.417 38.911 38.487 0.011 0.000 0.974 327 N HN 0.484 nan 8.380 nan 0.000 0.482 328 L N 0.197 121.428 121.223 0.013 0.000 2.577 328 L HA 0.189 4.529 4.340 -0.000 0.000 0.225 328 L C 0.651 177.529 176.870 0.013 0.000 1.053 328 L CA 0.033 54.879 54.840 0.011 0.000 0.866 328 L CB 0.135 42.199 42.059 0.009 0.000 1.132 328 L HN -0.107 nan 8.230 nan 0.000 0.486 329 V N -0.763 119.160 119.914 0.015 0.000 2.872 329 V HA 0.080 4.200 4.120 -0.000 0.000 0.307 329 V C 0.176 176.281 176.094 0.018 0.000 1.072 329 V CA -0.730 61.581 62.300 0.017 0.000 1.148 329 V CB 0.270 32.105 31.823 0.020 0.000 0.954 329 V HN 0.193 nan 8.190 nan 0.000 0.490 330 E N 1.605 121.815 120.200 0.018 0.000 2.349 330 E HA 0.292 4.642 4.350 -0.000 0.000 0.262 330 E C -0.359 176.254 176.600 0.021 0.000 1.088 330 E CA -0.521 55.889 56.400 0.017 0.000 0.899 330 E CB 0.881 30.590 29.700 0.016 0.000 1.044 330 E HN 0.908 nan 8.360 nan 0.000 0.420 331 E N 1.522 121.734 120.200 0.021 0.000 2.104 331 E HA 0.030 4.380 4.350 -0.000 0.000 0.278 331 E C -0.658 175.956 176.600 0.023 0.000 1.127 331 E CA -0.088 56.326 56.400 0.024 0.000 0.897 331 E CB 0.561 30.274 29.700 0.022 0.000 1.043 331 E HN 0.324 nan 8.360 nan 0.000 0.410 332 S N 3.074 118.790 115.700 0.027 0.000 2.572 332 S HA 0.019 4.488 4.470 -0.000 0.000 0.279 332 S C 1.047 175.661 174.600 0.024 0.000 1.341 332 S CA 0.154 58.370 58.200 0.026 0.000 1.043 332 S CB 0.530 63.748 63.200 0.030 0.000 0.887 332 S HN 0.660 nan 8.310 nan 0.000 0.516 333 S N 4.032 119.745 115.700 0.020 0.000 2.558 333 S HA 0.173 4.642 4.470 -0.000 0.000 0.217 333 S C 0.733 175.344 174.600 0.019 0.000 0.975 333 S CA -0.292 57.919 58.200 0.018 0.000 0.912 333 S CB -0.140 63.068 63.200 0.014 0.000 0.776 333 S HN 0.708 nan 8.310 nan 0.000 0.526 334 R N 1.505 122.018 120.500 0.022 0.000 2.827 334 R HA 0.168 4.508 4.340 -0.000 0.000 0.269 334 R C 0.083 176.397 176.300 0.024 0.000 1.048 334 R CA -0.070 56.044 56.100 0.023 0.000 1.173 334 R CB 0.186 30.503 30.300 0.029 0.000 1.070 334 R HN 0.352 nan 8.270 nan 0.000 0.498 335 Q N 1.588 121.401 119.800 0.022 0.000 2.314 335 Q HA 0.067 4.407 4.340 -0.000 0.000 0.258 335 Q C -0.254 175.763 176.000 0.028 0.000 0.954 335 Q CA -0.375 55.441 55.803 0.020 0.000 0.890 335 Q CB 0.877 29.624 28.738 0.015 0.000 1.210 335 Q HN 0.283 nan 8.270 nan 0.000 0.410 336 L N 5.090 126.330 121.223 0.029 0.000 2.490 336 L HA 0.150 4.490 4.340 -0.000 0.000 0.274 336 L C -2.108 174.783 176.870 0.035 0.000 1.201 336 L CA -0.784 54.081 54.840 0.042 0.000 0.869 336 L CB 0.030 42.113 42.059 0.040 0.000 1.123 336 L HN 0.426 nan 8.230 nan 0.000 0.484 337 P HA 0.053 nan 4.420 nan 0.000 0.266 337 P C -0.981 176.329 177.300 0.017 0.000 1.193 337 P CA 0.035 63.151 63.100 0.027 0.000 0.770 337 P CB 0.271 31.985 31.700 0.024 0.000 0.836 338 T N 1.799 116.354 114.554 0.003 0.000 2.856 338 T HA 0.435 4.785 4.350 -0.000 0.000 0.292 338 T C 0.332 175.028 174.700 -0.007 0.000 0.980 338 T CA -0.335 61.762 62.100 -0.005 0.000 1.091 338 T CB 0.560 69.424 68.868 -0.007 0.000 0.936 338 T HN 0.465 nan 8.240 nan 0.000 0.503 339 A N 2.725 125.541 122.820 -0.005 0.000 2.531 339 A HA 0.527 4.846 4.320 -0.000 0.000 0.236 339 A C 0.876 178.458 177.584 -0.004 0.000 1.062 339 A CA -0.422 51.619 52.037 0.006 0.000 0.760 339 A CB -0.251 18.750 19.000 0.001 0.000 0.995 339 A HN 1.084 nan 8.150 nan 0.000 0.501 340 A N 3.893 126.710 122.820 -0.004 0.000 2.445 340 A HA 0.543 4.862 4.320 -0.000 0.000 0.242 340 A C -1.379 176.204 177.584 -0.002 0.000 1.075 340 A CA -0.870 51.154 52.037 -0.022 0.000 0.777 340 A CB -0.520 18.453 19.000 -0.045 0.000 1.013 340 A HN 0.807 nan 8.150 nan 0.000 0.493 341 P HA 0.161 nan 4.420 nan 0.000 0.274 341 P C -0.479 176.825 177.300 0.005 0.000 1.231 341 P CA -0.353 62.746 63.100 -0.001 0.000 0.790 341 P CB 0.559 32.257 31.700 -0.003 0.000 0.951 342 E N 2.317 122.521 120.200 0.008 0.000 2.413 342 E HA 0.102 4.452 4.350 -0.000 0.000 0.263 342 E C -1.539 175.067 176.600 0.010 0.000 1.015 342 E CA -0.950 55.457 56.400 0.012 0.000 0.916 342 E CB -0.289 29.417 29.700 0.010 0.000 0.947 342 E HN 0.445 nan 8.360 nan 0.000 0.440 343 P HA 0.082 nan 4.420 nan 0.000 0.269 343 P C -0.700 176.606 177.300 0.010 0.000 1.215 343 P CA -0.281 62.826 63.100 0.011 0.000 0.780 343 P CB 0.588 32.297 31.700 0.016 0.000 0.898 344 A N 2.686 125.510 122.820 0.006 0.000 2.445 344 A HA 0.130 4.450 4.320 -0.000 0.000 0.242 344 A C 0.590 178.175 177.584 0.003 0.000 1.075 344 A CA -0.159 51.879 52.037 0.002 0.000 0.777 344 A CB -0.079 18.919 19.000 -0.004 0.000 1.013 344 A HN 0.523 nan 8.150 nan 0.000 0.493 345 K N 2.781 123.181 120.400 0.001 0.000 2.284 345 K HA 0.354 4.674 4.320 -0.000 0.000 0.287 345 K C -0.625 175.966 176.600 -0.015 0.000 1.081 345 K CA -0.124 56.164 56.287 0.002 0.000 0.910 345 K CB 0.402 32.906 32.500 0.007 0.000 1.088 345 K HN 0.440 nan 8.250 nan 0.000 0.478 346 V N 3.753 123.648 119.914 -0.030 0.000 2.811 346 V HA -0.027 4.093 4.120 -0.000 0.000 0.302 346 V C 0.508 176.554 176.094 -0.080 0.000 1.063 346 V CA -0.300 61.950 62.300 -0.084 0.000 1.088 346 V CB 0.763 32.495 31.823 -0.152 0.000 0.982 346 V HN 0.714 nan 8.190 nan 0.000 0.485 347 D N 2.874 123.212 120.400 -0.103 0.000 2.455 347 D HA 0.253 4.893 4.640 -0.000 0.000 0.241 347 D C -0.056 176.243 176.300 -0.002 0.000 1.138 347 D CA 0.355 54.328 54.000 -0.044 0.000 0.877 347 D CB 1.000 41.781 40.800 -0.030 0.000 1.187 347 D HN 0.529 nan 8.370 nan 0.000 0.451 348 Q N 2.210 122.052 119.800 0.070 0.000 2.350 348 Q HA 0.208 4.548 4.340 -0.000 0.000 0.255 348 Q C -1.342 174.715 176.000 0.095 0.000 0.951 348 Q CA -0.759 55.134 55.803 0.149 0.000 0.751 348 Q CB 0.987 29.801 28.738 0.128 0.000 1.296 348 Q HN 0.380 nan 8.270 nan 0.000 0.453 349 D N 1.860 122.318 120.400 0.096 0.000 2.425 349 D HA 0.351 4.990 4.640 -0.000 0.000 0.274 349 D C 0.306 176.628 176.300 0.036 0.000 1.242 349 D CA -0.023 54.010 54.000 0.055 0.000 1.060 349 D CB 0.405 41.235 40.800 0.049 0.000 1.112 349 D HN 0.432 nan 8.370 nan 0.000 0.561 350 A N -1.118 121.716 122.820 0.024 0.000 2.302 350 A HA 0.462 4.782 4.320 -0.000 0.000 0.219 350 A C 1.008 178.595 177.584 0.006 0.000 1.243 350 A CA 0.398 52.444 52.037 0.015 0.000 0.856 350 A CB -1.113 17.895 19.000 0.014 0.000 0.893 350 A HN 0.534 nan 8.150 nan 0.000 0.491 351 G N -0.603 108.196 108.800 -0.000 0.000 2.849 351 G HA2 0.426 4.386 3.960 -0.000 0.000 0.174 351 G HA3 0.426 4.386 3.960 -0.000 0.000 0.174 351 G C -0.018 174.861 174.900 -0.036 0.000 1.370 351 G CA -1.034 44.057 45.100 -0.015 0.000 1.040 351 G HN 0.432 nan 8.290 nan 0.000 0.582 352 R N -0.735 119.731 120.500 -0.057 0.000 2.697 352 R HA 0.140 4.480 4.340 -0.000 0.000 0.265 352 R C -0.624 175.593 176.300 -0.138 0.000 1.009 352 R CA -0.072 55.978 56.100 -0.083 0.000 1.099 352 R CB 0.073 30.320 30.300 -0.089 0.000 0.965 352 R HN 0.138 nan 8.270 nan 0.000 0.428 353 L N 2.658 123.809 121.223 -0.119 0.000 2.375 353 L HA 0.206 4.545 4.340 -0.000 0.000 0.271 353 L C 0.673 177.436 176.870 -0.178 0.000 1.107 353 L CA -0.100 54.668 54.840 -0.120 0.000 0.806 353 L CB 0.533 42.552 42.059 -0.067 0.000 1.146 353 L HN 0.369 nan 8.230 nan 0.000 0.447 354 H N 2.125 121.178 119.070 -0.029 0.000 2.525 354 H HA 0.156 4.712 4.556 -0.000 0.000 0.339 354 H C -1.642 173.649 175.328 -0.062 0.000 1.109 354 H CA -1.589 54.444 56.048 -0.024 0.000 1.352 354 H CB 1.432 31.192 29.762 -0.004 0.000 1.461 354 H HN 0.377 nan 8.280 nan 0.000 0.533 355 P HA -0.181 nan 4.420 nan 0.000 0.216 355 P C 1.062 178.321 177.300 -0.068 0.000 1.153 355 P CA 1.409 64.455 63.100 -0.090 0.000 0.858 355 P CB 0.459 32.203 31.700 0.073 0.000 0.789 356 E N -1.069 119.213 120.200 0.136 0.000 2.070 356 E HA -0.175 4.175 4.350 -0.000 0.000 0.197 356 E C 2.012 178.673 176.600 0.101 0.000 1.004 356 E CA 1.923 58.429 56.400 0.178 0.000 0.805 356 E CB -1.567 28.195 29.700 0.104 0.000 0.744 356 E HN 0.240 nan 8.360 nan 0.000 0.451 357 T N 0.303 114.895 114.554 0.063 0.000 2.684 357 T HA -0.151 4.199 4.350 -0.000 0.000 0.267 357 T C 2.006 176.694 174.700 -0.020 0.000 1.036 357 T CA 1.409 63.531 62.100 0.037 0.000 1.148 357 T CB -0.391 68.512 68.868 0.057 0.000 0.863 357 T HN -0.023 nan 8.240 nan 0.000 0.436 358 V N 0.785 120.621 119.914 -0.130 0.000 2.287 358 V HA -0.158 3.961 4.120 -0.000 0.000 0.248 358 V C 2.097 178.079 176.094 -0.186 0.000 1.053 358 V CA 1.765 63.930 62.300 -0.226 0.000 1.027 358 V CB -0.880 30.686 31.823 -0.428 0.000 0.646 358 V HN 0.482 nan 8.190 nan 0.000 0.447 359 F N 0.290 120.246 119.950 0.010 0.000 2.134 359 F HA -0.171 4.356 4.527 -0.000 0.000 0.299 359 F C 2.418 178.206 175.800 -0.020 0.000 1.097 359 F CA 1.449 59.434 58.000 -0.025 0.000 1.264 359 F CB -0.450 38.521 39.000 -0.048 0.000 1.001 359 F HN 0.181 nan 8.300 nan 0.000 0.479 360 D N -0.181 120.315 120.400 0.160 0.000 2.123 360 D HA -0.141 4.499 4.640 -0.000 0.000 0.196 360 D C 2.252 178.595 176.300 0.072 0.000 0.992 360 D CA 1.825 55.882 54.000 0.095 0.000 0.833 360 D CB -0.804 40.038 40.800 0.069 0.000 0.954 360 D HN 0.168 nan 8.370 nan 0.000 0.455 361 T N 1.002 115.589 114.554 0.055 0.000 2.708 361 T HA -0.063 4.286 4.350 -0.000 0.000 0.266 361 T C 2.234 176.974 174.700 0.067 0.000 1.037 361 T CA 0.474 62.601 62.100 0.045 0.000 1.146 361 T CB -0.315 68.567 68.868 0.023 0.000 0.865 361 T HN 0.107 nan 8.240 nan 0.000 0.435 362 L N 1.250 122.529 121.223 0.092 0.000 2.012 362 L HA -0.153 4.186 4.340 -0.000 0.000 0.210 362 L C 2.724 179.692 176.870 0.164 0.000 1.073 362 L CA 1.312 56.243 54.840 0.151 0.000 0.748 362 L CB -0.600 41.598 42.059 0.232 0.000 0.891 362 L HN 0.400 nan 8.230 nan 0.000 0.431 363 N N -0.262 118.515 118.700 0.128 0.000 2.104 363 N HA -0.220 4.520 4.740 -0.000 0.000 0.190 363 N C 1.285 176.844 175.510 0.082 0.000 1.024 363 N CA 1.579 54.688 53.050 0.100 0.000 0.853 363 N CB 0.096 38.614 38.487 0.053 0.000 1.008 363 N HN 0.333 nan 8.380 nan 0.000 0.424 364 D N 0.292 120.731 120.400 0.066 0.000 2.149 364 D HA -0.085 4.555 4.640 -0.000 0.000 0.201 364 D C 1.844 178.171 176.300 0.046 0.000 0.972 364 D CA 1.045 55.073 54.000 0.048 0.000 0.835 364 D CB -0.039 40.784 40.800 0.038 0.000 0.966 364 D HN 0.448 nan 8.370 nan 0.000 0.476 365 M N 0.274 119.906 119.600 0.055 0.000 2.486 365 M HA 0.166 4.646 4.480 -0.000 0.000 0.264 365 M C 0.956 177.282 176.300 0.043 0.000 1.125 365 M CA 0.004 55.330 55.300 0.043 0.000 1.144 365 M CB 0.411 33.034 32.600 0.039 0.000 1.353 365 M HN -0.192 nan 8.290 nan 0.000 0.466 366 A N 2.587 125.449 122.820 0.069 0.000 2.425 366 A HA 0.386 4.706 4.320 -0.000 0.000 0.249 366 A C -2.062 175.537 177.584 0.025 0.000 1.084 366 A CA -1.211 50.853 52.037 0.046 0.000 0.781 366 A CB -0.656 18.402 19.000 0.097 0.000 1.019 366 A HN 0.124 nan 8.150 nan 0.000 0.490 367 P HA 0.051 nan 4.420 nan 0.000 0.270 367 P C 0.186 177.480 177.300 -0.010 0.000 1.223 367 P CA -0.033 63.056 63.100 -0.017 0.000 0.785 367 P CB 0.524 32.203 31.700 -0.036 0.000 0.923 368 E N 1.218 121.415 120.200 -0.004 0.000 2.265 368 E HA -0.149 4.201 4.350 -0.000 0.000 0.196 368 E C 0.835 177.429 176.600 -0.010 0.000 0.996 368 E CA 0.918 57.319 56.400 0.002 0.000 0.832 368 E CB -0.265 29.432 29.700 -0.005 0.000 0.756 368 E HN 0.533 nan 8.360 nan 0.000 0.491 369 N N 0.656 119.339 118.700 -0.028 0.000 2.321 369 N HA 0.140 4.880 4.740 -0.000 0.000 0.242 369 N C -0.184 175.285 175.510 -0.069 0.000 1.141 369 N CA -0.119 52.909 53.050 -0.037 0.000 0.864 369 N CB 0.221 38.688 38.487 -0.033 0.000 1.100 369 N HN -0.063 nan 8.380 nan 0.000 0.510 370 A N 0.761 123.516 122.820 -0.108 0.000 2.406 370 A HA 0.491 4.811 4.320 -0.000 0.000 0.243 370 A C 0.088 177.509 177.584 -0.271 0.000 1.082 370 A CA -0.172 51.722 52.037 -0.238 0.000 0.786 370 A CB 0.182 18.951 19.000 -0.386 0.000 1.029 370 A HN 0.399 nan 8.150 nan 0.000 0.495 371 I N 0.860 121.240 120.570 -0.316 0.000 2.418 371 I HA 0.319 4.489 4.170 -0.000 0.000 0.287 371 I C -1.271 174.692 176.117 -0.256 0.000 1.008 371 I CA -0.235 60.965 61.300 -0.168 0.000 1.104 371 I CB 1.292 39.284 38.000 -0.014 0.000 1.264 371 I HN 0.611 nan 8.210 nan 0.000 0.438 372 Y N 6.069 126.388 120.300 0.031 0.000 2.387 372 Y HA 0.649 5.199 4.550 -0.000 0.000 0.330 372 Y C -0.361 175.542 175.900 0.005 0.000 1.133 372 Y CA -0.798 57.318 58.100 0.027 0.000 1.152 372 Y CB 1.486 39.974 38.460 0.047 0.000 1.215 372 Y HN 0.333 nan 8.280 nan 0.000 0.466 373 L N 2.599 123.920 121.223 0.162 0.000 2.386 373 L HA 0.403 4.743 4.340 -0.000 0.000 0.271 373 L C -0.624 176.308 176.870 0.104 0.000 0.993 373 L CA -0.505 54.380 54.840 0.075 0.000 0.819 373 L CB 1.965 44.057 42.059 0.055 0.000 1.294 373 L HN 0.670 nan 8.230 nan 0.000 0.414 374 N N 1.921 120.667 118.700 0.077 0.000 2.399 374 N HA 0.334 5.074 4.740 -0.000 0.000 0.280 374 N C -0.835 174.883 175.510 0.347 0.000 1.008 374 N CA -0.231 52.968 53.050 0.249 0.000 0.894 374 N CB 1.280 39.962 38.487 0.324 0.000 1.273 374 N HN 0.759 nan 8.380 nan 0.000 0.486 375 E N 2.462 122.834 120.200 0.286 0.000 3.918 375 E HA 0.047 4.397 4.350 -0.000 0.000 0.183 375 E C -1.355 175.390 176.600 0.242 0.000 1.021 375 E CA -0.097 56.448 56.400 0.241 0.000 1.431 375 E CB 0.463 30.257 29.700 0.156 0.000 1.140 375 E HN 0.359 nan 8.360 nan 0.000 0.435 376 S N 0.443 116.318 115.700 0.291 0.000 2.217 376 S HA 0.054 4.523 4.470 -0.000 0.000 0.168 376 S C 1.425 176.190 174.600 0.276 0.000 1.526 376 S CA 0.129 58.483 58.200 0.256 0.000 1.150 376 S CB 0.057 63.421 63.200 0.274 0.000 1.158 376 S HN 0.469 nan 8.310 nan 0.000 0.473 377 T N 0.246 114.965 114.554 0.275 0.000 2.792 377 T HA -0.205 4.145 4.350 -0.000 0.000 0.268 377 T C 1.619 176.439 174.700 0.200 0.000 1.059 377 T CA 2.025 64.292 62.100 0.278 0.000 1.136 377 T CB -0.683 68.329 68.868 0.241 0.000 0.846 377 T HN 0.689 nan 8.240 nan 0.000 0.489 378 S N 0.549 116.347 115.700 0.162 0.000 2.556 378 S HA 0.168 4.638 4.470 -0.000 0.000 0.216 378 S C 1.534 176.166 174.600 0.054 0.000 0.970 378 S CA 0.233 58.480 58.200 0.078 0.000 0.912 378 S CB -0.161 63.082 63.200 0.072 0.000 0.790 378 S HN 0.778 nan 8.310 nan 0.000 0.504 379 T N -3.108 111.529 114.554 0.139 0.000 3.091 379 T HA 0.207 4.557 4.350 -0.000 0.000 0.277 379 T C 1.235 176.015 174.700 0.133 0.000 0.996 379 T CA 0.261 62.473 62.100 0.187 0.000 0.897 379 T CB -0.243 68.848 68.868 0.372 0.000 1.109 379 T HN 0.147 nan 8.240 nan 0.000 0.534 380 T N 2.377 116.991 114.554 0.099 0.000 2.699 380 T HA -0.090 4.259 4.350 -0.000 0.000 0.268 380 T C 2.375 177.105 174.700 0.050 0.000 1.036 380 T CA 1.752 63.896 62.100 0.072 0.000 1.147 380 T CB -0.722 68.168 68.868 0.035 0.000 0.862 380 T HN 0.645 nan 8.240 nan 0.000 0.446 381 A N 1.435 124.259 122.820 0.007 0.000 1.858 381 A HA -0.195 4.125 4.320 -0.000 0.000 0.216 381 A C 2.327 179.898 177.584 -0.021 0.000 1.190 381 A CA 1.800 53.832 52.037 -0.008 0.000 0.617 381 A CB -0.752 18.222 19.000 -0.043 0.000 0.827 381 A HN 0.477 nan 8.150 nan 0.000 0.443 382 Q N -0.929 118.849 119.800 -0.037 0.000 2.124 382 Q HA -0.104 4.236 4.340 -0.000 0.000 0.202 382 Q C 2.111 177.949 176.000 -0.271 0.000 0.977 382 Q CA 1.682 57.459 55.803 -0.042 0.000 0.850 382 Q CB -0.488 28.317 28.738 0.111 0.000 0.901 382 Q HN 0.782 nan 8.270 nan 0.000 0.429 383 M N -1.146 118.071 119.600 -0.638 0.000 2.080 383 M HA -0.198 4.282 4.480 -0.000 0.000 0.260 383 M C 1.161 177.087 176.300 -0.624 0.000 1.068 383 M CA 1.677 56.225 55.300 -1.252 0.000 1.109 383 M CB -0.160 31.699 32.600 -1.234 0.000 1.342 383 M HN 0.307 nan 8.290 nan 0.000 0.405 384 W N 0.715 121.759 121.300 -0.427 0.000 2.421 384 W HA -0.159 4.501 4.660 -0.000 0.000 0.270 384 W C 2.291 178.697 176.519 -0.188 0.000 1.233 384 W CA 1.221 58.376 57.345 -0.317 0.000 1.226 384 W CB -0.014 29.290 29.460 -0.262 0.000 1.121 384 W HN 0.400 nan 8.180 nan 0.000 0.579 385 Q N -0.919 118.898 119.800 0.028 0.000 2.250 385 Q HA 0.021 4.361 4.340 -0.000 0.000 0.200 385 Q C 1.813 177.804 176.000 -0.015 0.000 0.941 385 Q CA 0.739 56.562 55.803 0.033 0.000 0.872 385 Q CB -0.010 28.737 28.738 0.015 0.000 0.965 385 Q HN 0.259 nan 8.270 nan 0.000 0.480 386 R N -0.254 120.192 120.500 -0.090 0.000 2.334 386 R HA 0.240 4.579 4.340 -0.000 0.000 0.216 386 R C -0.116 176.124 176.300 -0.099 0.000 0.905 386 R CA 0.034 56.101 56.100 -0.055 0.000 1.064 386 R CB 0.568 30.885 30.300 0.028 0.000 1.046 386 R HN 0.057 nan 8.270 nan 0.000 0.508 387 L N 1.443 122.538 121.223 -0.214 0.000 2.305 387 L HA 0.282 4.622 4.340 -0.000 0.000 0.284 387 L C -0.398 176.361 176.870 -0.184 0.000 1.013 387 L CA -0.546 54.130 54.840 -0.273 0.000 0.819 387 L CB 1.678 43.382 42.059 -0.592 0.000 1.227 387 L HN 0.119 nan 8.230 nan 0.000 0.417 388 N N 5.142 123.788 118.700 -0.090 0.000 2.439 388 N HA 0.314 5.054 4.740 -0.000 0.000 0.243 388 N C -0.828 174.651 175.510 -0.052 0.000 1.088 388 N CA -0.506 52.507 53.050 -0.062 0.000 0.940 388 N CB 0.541 39.014 38.487 -0.024 0.000 1.180 388 N HN 0.569 nan 8.380 nan 0.000 0.505 389 M N 3.633 123.168 119.600 -0.108 0.000 2.055 389 M HA 0.243 4.723 4.480 -0.000 0.000 0.346 389 M C 0.944 177.177 176.300 -0.113 0.000 1.074 389 M CA -0.430 54.823 55.300 -0.080 0.000 1.009 389 M CB 1.483 34.006 32.600 -0.128 0.000 1.423 389 M HN 0.442 nan 8.290 nan 0.000 0.410 390 R N 0.550 121.004 120.500 -0.077 0.000 2.127 390 R HA 0.121 4.461 4.340 -0.000 0.000 0.217 390 R C 0.386 176.624 176.300 -0.103 0.000 1.074 390 R CA 0.672 56.714 56.100 -0.097 0.000 0.991 390 R CB 0.123 30.383 30.300 -0.067 0.000 0.895 390 R HN 0.631 nan 8.270 nan 0.000 0.450 391 N N 1.115 119.771 118.700 -0.073 0.000 2.485 391 N HA 0.309 5.049 4.740 -0.000 0.000 0.280 391 N C -2.614 172.862 175.510 -0.057 0.000 1.205 391 N CA -1.655 51.357 53.050 -0.063 0.000 0.959 391 N CB 0.679 39.142 38.487 -0.041 0.000 1.206 391 N HN -0.227 nan 8.380 nan 0.000 0.545 392 P HA 0.141 nan 4.420 nan 0.000 0.274 392 P C 0.301 177.596 177.300 -0.009 0.000 1.256 392 P CA 0.159 63.245 63.100 -0.024 0.000 0.795 392 P CB 0.267 31.960 31.700 -0.010 0.000 1.038 393 G N 0.527 109.322 108.800 -0.009 0.000 2.366 393 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.299 393 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.299 393 G C 0.544 175.441 174.900 -0.005 0.000 1.020 393 G CA 0.550 45.658 45.100 0.012 0.000 1.026 393 G HN 0.426 nan 8.290 nan 0.000 0.512 394 S N -1.507 114.147 115.700 -0.075 0.000 2.559 394 S HA 0.368 4.838 4.470 -0.000 0.000 0.226 394 S C -0.103 174.523 174.600 0.043 0.000 1.000 394 S CA 0.100 58.300 58.200 -0.000 0.000 0.948 394 S CB 0.607 63.817 63.200 0.016 0.000 0.870 394 S HN 0.753 nan 8.310 nan 0.000 0.497 395 Y N 0.725 120.818 120.300 -0.345 0.000 2.479 395 Y HA 0.567 5.117 4.550 -0.000 0.000 0.338 395 Y C -2.174 173.409 175.900 -0.527 0.000 1.055 395 Y CA -1.306 56.614 58.100 -0.301 0.000 1.023 395 Y CB 1.050 39.294 38.460 -0.361 0.000 1.287 395 Y HN 0.065 nan 8.280 nan 0.000 0.447 396 Y N 6.477 126.488 120.300 -0.482 0.000 2.433 396 Y HA 0.561 5.110 4.550 -0.000 0.000 0.337 396 Y C -1.514 174.267 175.900 -0.198 0.000 1.026 396 Y CA -1.077 56.930 58.100 -0.155 0.000 1.037 396 Y CB 2.141 40.674 38.460 0.122 0.000 1.245 396 Y HN 0.588 nan 8.280 nan 0.000 0.443 397 F N 3.110 123.052 119.950 -0.015 0.000 2.574 397 F HA 0.519 5.046 4.527 -0.000 0.000 0.313 397 F C -0.274 175.478 175.800 -0.080 0.000 1.130 397 F CA -1.782 56.236 58.000 0.031 0.000 0.936 397 F CB 0.889 39.964 39.000 0.125 0.000 1.219 397 F HN 0.725 nan 8.300 nan 0.000 0.445 398 C N 4.666 123.452 119.300 -0.857 0.000 2.250 398 C HA 0.354 4.813 4.460 -0.000 0.000 0.405 398 C C 1.707 176.304 174.990 -0.656 0.000 1.516 398 C CA -0.023 58.406 59.018 -0.983 0.000 1.412 398 C CB -1.522 25.797 27.740 -0.701 0.000 2.534 398 C HN 1.061 nan 8.230 nan 0.000 0.621 399 A N 3.259 125.798 122.820 -0.468 0.000 2.032 399 A HA 0.148 4.467 4.320 -0.000 0.000 0.221 399 A C 2.246 179.760 177.584 -0.116 0.000 1.165 399 A CA 1.990 53.925 52.037 -0.170 0.000 0.645 399 A CB -0.406 18.492 19.000 -0.171 0.000 0.807 399 A HN 1.705 nan 8.150 nan 0.000 0.453 400 A N -2.563 120.148 122.820 -0.182 0.000 2.390 400 A HA 0.470 4.790 4.320 -0.000 0.000 0.232 400 A C 1.621 179.121 177.584 -0.139 0.000 1.233 400 A CA 0.975 52.944 52.037 -0.113 0.000 0.907 400 A CB -0.537 18.412 19.000 -0.084 0.000 0.967 400 A HN 1.842 nan 8.150 nan 0.000 0.512 401 G N -1.015 107.659 108.800 -0.211 0.000 2.162 401 G HA2 -0.089 3.870 3.960 -0.000 0.000 0.260 401 G HA3 -0.089 3.870 3.960 -0.000 0.000 0.260 401 G C 0.681 175.449 174.900 -0.221 0.000 0.976 401 G CA 0.204 45.184 45.100 -0.201 0.000 0.655 401 G HN 1.461 nan 8.290 nan 0.000 0.533 402 G N 0.320 108.979 108.800 -0.234 0.000 2.365 402 G HA2 0.564 4.524 3.960 -0.000 0.000 0.293 402 G HA3 0.564 4.524 3.960 -0.000 0.000 0.293 402 G C 0.533 175.287 174.900 -0.244 0.000 1.128 402 G CA -0.506 44.469 45.100 -0.208 0.000 0.971 402 G HN 0.615 nan 8.290 nan 0.000 0.422 403 L N 1.828 122.827 121.223 -0.372 0.000 2.467 403 L HA 0.437 4.777 4.340 -0.000 0.000 0.270 403 L C 1.475 178.137 176.870 -0.347 0.000 1.205 403 L CA 0.799 55.369 54.840 -0.450 0.000 0.828 403 L CB 0.938 42.492 42.059 -0.841 0.000 1.101 403 L HN 0.821 nan 8.230 nan 0.000 0.479 404 G N 1.487 110.242 108.800 -0.076 0.000 2.168 404 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.197 404 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.197 404 G C 0.113 175.081 174.900 0.113 0.000 0.997 404 G CA 0.217 45.378 45.100 0.103 0.000 0.658 404 G HN 0.636 nan 8.290 nan 0.000 0.513 405 F N 1.513 121.429 119.950 -0.058 0.000 2.222 405 F HA 0.548 5.075 4.527 -0.000 0.000 0.285 405 F C 2.539 178.326 175.800 -0.022 0.000 1.068 405 F CA 1.845 59.809 58.000 -0.059 0.000 1.265 405 F CB -0.559 38.370 39.000 -0.118 0.000 1.087 405 F HN 0.241 nan 8.300 nan 0.000 0.511 406 A N 1.548 124.286 122.820 -0.138 0.000 1.884 406 A HA -0.263 4.056 4.320 -0.000 0.000 0.219 406 A C 2.334 179.829 177.584 -0.147 0.000 1.197 406 A CA 2.325 54.241 52.037 -0.202 0.000 0.637 406 A CB -1.555 17.483 19.000 0.065 0.000 0.827 406 A HN 0.615 nan 8.150 nan 0.000 0.450 407 L N 0.088 121.324 121.223 0.022 0.000 1.970 407 L HA -0.125 4.215 4.340 -0.000 0.000 0.212 407 L C -0.283 176.657 176.870 0.116 0.000 1.071 407 L CA 2.291 57.232 54.840 0.169 0.000 0.751 407 L CB -0.825 41.313 42.059 0.132 0.000 0.889 407 L HN 0.309 nan 8.230 nan 0.000 0.432 408 P HA -0.125 nan 4.420 nan 0.000 0.217 408 P C 1.278 178.485 177.300 -0.155 0.000 1.151 408 P CA 1.873 64.947 63.100 -0.043 0.000 0.828 408 P CB -0.054 31.616 31.700 -0.049 0.000 0.788 409 A N 0.944 123.529 122.820 -0.391 0.000 1.933 409 A HA -0.080 4.240 4.320 -0.000 0.000 0.218 409 A C 2.523 179.887 177.584 -0.366 0.000 1.175 409 A CA 2.180 53.879 52.037 -0.564 0.000 0.628 409 A CB -1.585 16.583 19.000 -1.387 0.000 0.814 409 A HN 0.228 nan 8.150 nan 0.000 0.444 410 A N -0.109 122.551 122.820 -0.268 0.000 1.978 410 A HA -0.093 4.227 4.320 -0.000 0.000 0.220 410 A C 2.081 179.586 177.584 -0.132 0.000 1.170 410 A CA 1.535 53.457 52.037 -0.192 0.000 0.636 410 A CB -0.584 18.304 19.000 -0.187 0.000 0.810 410 A HN 0.534 nan 8.150 nan 0.000 0.448 411 I N -0.637 119.910 120.570 -0.037 0.000 2.286 411 I HA -0.150 4.020 4.170 -0.000 0.000 0.245 411 I C 2.694 178.821 176.117 0.016 0.000 1.104 411 I CA 1.022 62.343 61.300 0.034 0.000 1.397 411 I CB -0.648 37.425 38.000 0.122 0.000 1.072 411 I HN 0.389 nan 8.210 nan 0.000 0.417 412 G N 0.681 109.462 108.800 -0.031 0.000 2.418 412 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.217 412 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.217 412 G C 1.724 176.656 174.900 0.053 0.000 1.158 412 G CA 0.773 45.884 45.100 0.018 0.000 0.771 412 G HN 0.212 nan 8.290 nan 0.000 0.545 413 V N 0.643 120.499 119.914 -0.096 0.000 2.295 413 V HA -0.234 3.886 4.120 -0.000 0.000 0.246 413 V C 2.786 178.856 176.094 -0.040 0.000 1.049 413 V CA 2.304 64.531 62.300 -0.123 0.000 1.024 413 V CB -0.507 31.189 31.823 -0.212 0.000 0.648 413 V HN 0.427 nan 8.190 nan 0.000 0.447 414 Q N -0.190 119.586 119.800 -0.040 0.000 2.181 414 Q HA -0.207 4.133 4.340 -0.000 0.000 0.205 414 Q C 1.914 177.934 176.000 0.034 0.000 0.980 414 Q CA 1.818 57.607 55.803 -0.023 0.000 0.862 414 Q CB -0.532 28.177 28.738 -0.049 0.000 0.905 414 Q HN 0.570 nan 8.270 nan 0.000 0.429 415 L N -0.445 120.834 121.223 0.094 0.000 2.156 415 L HA 0.097 4.437 4.340 -0.000 0.000 0.208 415 L C 1.893 178.904 176.870 0.235 0.000 1.095 415 L CA 1.913 56.852 54.840 0.164 0.000 0.770 415 L CB -0.671 41.509 42.059 0.201 0.000 0.914 415 L HN 0.221 nan 8.230 nan 0.000 0.439 416 A N -1.606 121.328 122.820 0.191 0.000 1.975 416 A HA 0.055 4.375 4.320 -0.000 0.000 0.215 416 A C 1.118 178.685 177.584 -0.028 0.000 1.170 416 A CA 0.647 52.678 52.037 -0.011 0.000 0.656 416 A CB -0.123 18.707 19.000 -0.283 0.000 0.821 416 A HN 0.389 nan 8.150 nan 0.000 0.449 417 E N 0.038 120.233 120.200 -0.009 0.000 3.167 417 E HA 0.159 4.508 4.350 -0.000 0.000 0.212 417 E C -2.102 174.494 176.600 -0.007 0.000 1.143 417 E CA -1.699 54.693 56.400 -0.014 0.000 1.002 417 E CB 0.817 30.506 29.700 -0.018 0.000 1.315 417 E HN 0.405 nan 8.360 nan 0.000 0.422 418 P HA -0.135 nan 4.420 nan 0.000 0.221 418 P C 0.648 177.943 177.300 -0.008 0.000 1.145 418 P CA 1.013 64.116 63.100 0.005 0.000 0.795 418 P CB 0.609 32.318 31.700 0.016 0.000 0.775 419 E N -0.393 119.799 120.200 -0.012 0.000 2.479 419 E HA 0.087 4.437 4.350 -0.000 0.000 0.193 419 E C 0.640 177.224 176.600 -0.027 0.000 1.049 419 E CA 0.207 56.596 56.400 -0.017 0.000 0.870 419 E CB 0.133 29.825 29.700 -0.014 0.000 0.944 419 E HN 0.418 nan 8.360 nan 0.000 0.492 420 R N 1.074 121.554 120.500 -0.034 0.000 2.437 420 R HA 0.248 4.587 4.340 -0.000 0.000 0.310 420 R C -0.299 175.958 176.300 -0.071 0.000 0.955 420 R CA -0.827 55.243 56.100 -0.050 0.000 0.851 420 R CB 1.370 31.643 30.300 -0.044 0.000 1.161 420 R HN -0.158 nan 8.270 nan 0.000 0.446 421 Q N 2.420 122.166 119.800 -0.091 0.000 2.262 421 Q HA 0.102 4.442 4.340 -0.000 0.000 0.272 421 Q C -0.890 175.007 176.000 -0.171 0.000 1.076 421 Q CA 0.197 55.930 55.803 -0.117 0.000 0.905 421 Q CB 0.854 29.524 28.738 -0.114 0.000 1.182 421 Q HN 0.388 nan 8.270 nan 0.000 0.390 422 V N 6.843 126.656 119.914 -0.167 0.000 2.465 422 V HA 0.414 4.534 4.120 -0.000 0.000 0.279 422 V C 0.106 176.054 176.094 -0.243 0.000 1.045 422 V CA -0.426 61.754 62.300 -0.199 0.000 0.938 422 V CB 1.077 32.798 31.823 -0.171 0.000 0.986 422 V HN 0.724 nan 8.190 nan 0.000 0.467 423 I N 4.268 124.687 120.570 -0.252 0.000 2.468 423 I HA 0.591 4.761 4.170 -0.000 0.000 0.284 423 I C 0.099 176.185 176.117 -0.052 0.000 1.038 423 I CA -0.508 60.686 61.300 -0.177 0.000 1.083 423 I CB 1.741 39.650 38.000 -0.153 0.000 1.223 423 I HN 0.637 nan 8.210 nan 0.000 0.443 424 A N 6.687 129.453 122.820 -0.090 0.000 2.249 424 A HA 0.674 4.994 4.320 -0.000 0.000 0.314 424 A C -0.367 177.285 177.584 0.114 0.000 1.290 424 A CA -0.440 51.608 52.037 0.019 0.000 0.893 424 A CB 0.730 19.711 19.000 -0.033 0.000 1.165 424 A HN 0.458 nan 8.150 nan 0.000 0.530 425 V N 5.130 125.155 119.914 0.185 0.000 2.334 425 V HA 0.321 4.441 4.120 -0.000 0.000 0.267 425 V C -0.138 176.068 176.094 0.186 0.000 1.040 425 V CA 0.169 62.587 62.300 0.196 0.000 0.866 425 V CB 0.053 32.058 31.823 0.303 0.000 1.019 425 V HN 0.704 nan 8.190 nan 0.000 0.468 426 I N 3.633 124.286 120.570 0.140 0.000 2.509 426 I HA 0.578 4.748 4.170 -0.000 0.000 0.293 426 I C 0.976 177.136 176.117 0.072 0.000 1.020 426 I CA -0.556 60.823 61.300 0.131 0.000 1.088 426 I CB 1.963 40.046 38.000 0.139 0.000 1.267 426 I HN 0.637 nan 8.210 nan 0.000 0.430 427 G N 2.856 111.725 108.800 0.115 0.000 2.544 427 G HA2 0.039 3.998 3.960 -0.000 0.000 0.242 427 G HA3 0.039 3.998 3.960 -0.000 0.000 0.242 427 G C 0.863 175.789 174.900 0.044 0.000 1.247 427 G CA -0.279 44.878 45.100 0.096 0.000 0.840 427 G HN 0.854 nan 8.290 nan 0.000 0.578 428 D N 0.785 121.178 120.400 -0.011 0.000 2.218 428 D HA -0.112 4.528 4.640 -0.000 0.000 0.204 428 D C 2.021 178.492 176.300 0.286 0.000 0.976 428 D CA 1.341 55.312 54.000 -0.047 0.000 0.853 428 D CB -0.574 40.266 40.800 0.065 0.000 0.939 428 D HN 0.459 nan 8.370 nan 0.000 0.481 429 G N 0.355 109.347 108.800 0.320 0.000 2.395 429 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 429 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 429 G C 1.859 177.086 174.900 0.545 0.000 1.177 429 G CA 0.737 46.130 45.100 0.489 0.000 0.794 429 G HN 0.323 nan 8.290 nan 0.000 0.532 430 S N 1.210 117.192 115.700 0.470 0.000 2.383 430 S HA -0.055 4.415 4.470 -0.000 0.000 0.229 430 S C 2.740 177.608 174.600 0.447 0.000 1.030 430 S CA 1.145 59.628 58.200 0.471 0.000 1.002 430 S CB -0.362 62.987 63.200 0.249 0.000 0.829 430 S HN 0.571 nan 8.310 nan 0.000 0.467 431 A N 2.591 125.596 122.820 0.309 0.000 2.032 431 A HA -0.186 4.134 4.320 -0.000 0.000 0.221 431 A C 1.898 179.658 177.584 0.295 0.000 1.165 431 A CA 1.499 53.694 52.037 0.263 0.000 0.645 431 A CB -0.566 18.547 19.000 0.188 0.000 0.807 431 A HN 0.511 nan 8.150 nan 0.000 0.453 432 N N -1.139 117.738 118.700 0.295 0.000 2.216 432 N HA -0.151 4.588 4.740 -0.000 0.000 0.183 432 N C 1.533 177.089 175.510 0.076 0.000 1.017 432 N CA 1.567 54.702 53.050 0.143 0.000 0.861 432 N CB -0.551 37.952 38.487 0.026 0.000 0.986 432 N HN 0.639 nan 8.380 nan 0.000 0.428 433 Y N 1.546 121.925 120.300 0.132 0.000 2.062 433 Y HA -0.149 4.401 4.550 -0.000 0.000 0.276 433 Y C 1.646 177.590 175.900 0.074 0.000 1.189 433 Y CA 1.225 59.383 58.100 0.097 0.000 1.130 433 Y CB -0.283 38.230 38.460 0.088 0.000 0.959 433 Y HN -0.043 nan 8.280 nan 0.000 0.499 434 S N -0.819 115.017 115.700 0.226 0.000 2.592 434 S HA 0.144 4.614 4.470 -0.000 0.000 0.243 434 S C 1.163 175.808 174.600 0.074 0.000 1.160 434 S CA -0.342 57.932 58.200 0.123 0.000 1.145 434 S CB -0.062 63.200 63.200 0.104 0.000 0.909 434 S HN 0.234 nan 8.310 nan 0.000 0.487 435 I N 2.979 123.605 120.570 0.093 0.000 2.248 435 I HA -0.224 3.946 4.170 -0.000 0.000 0.248 435 I C 2.367 178.481 176.117 -0.004 0.000 1.107 435 I CA 1.891 63.244 61.300 0.089 0.000 1.373 435 I CB -0.356 37.737 38.000 0.156 0.000 1.055 435 I HN 0.477 nan 8.210 nan 0.000 0.418 436 S N 0.661 116.316 115.700 -0.075 0.000 2.469 436 S HA -0.096 4.374 4.470 -0.000 0.000 0.238 436 S C 2.185 176.548 174.600 -0.396 0.000 0.998 436 S CA 0.720 58.653 58.200 -0.445 0.000 0.957 436 S CB -1.027 62.017 63.200 -0.261 0.000 0.764 436 S HN 0.523 nan 8.310 nan 0.000 0.514 437 A N 2.208 124.936 122.820 -0.154 0.000 1.978 437 A HA 0.065 4.385 4.320 -0.000 0.000 0.220 437 A C 2.187 179.734 177.584 -0.062 0.000 1.170 437 A CA 1.350 53.353 52.037 -0.057 0.000 0.636 437 A CB -0.885 18.111 19.000 -0.007 0.000 0.810 437 A HN 0.575 nan 8.150 nan 0.000 0.448 438 L N -2.578 118.544 121.223 -0.169 0.000 2.051 438 L HA -0.277 4.063 4.340 -0.000 0.000 0.214 438 L C 2.458 179.323 176.870 -0.009 0.000 1.076 438 L CA 1.949 56.694 54.840 -0.158 0.000 0.758 438 L CB -0.552 41.432 42.059 -0.124 0.000 0.890 438 L HN 0.764 nan 8.230 nan 0.000 0.433 439 W N 0.939 122.072 121.300 -0.279 0.000 2.321 439 W HA -0.256 4.404 4.660 -0.000 0.000 0.306 439 W C 2.592 179.098 176.519 -0.022 0.000 1.217 439 W CA 2.329 59.595 57.345 -0.133 0.000 1.257 439 W CB -0.409 28.890 29.460 -0.270 0.000 1.145 439 W HN -0.004 nan 8.180 nan 0.000 0.509 440 T N 0.365 115.021 114.554 0.170 0.000 2.746 440 T HA -0.210 4.140 4.350 -0.000 0.000 0.267 440 T C 1.933 176.693 174.700 0.099 0.000 1.039 440 T CA 1.951 64.149 62.100 0.163 0.000 1.142 440 T CB -0.908 68.135 68.868 0.291 0.000 0.866 440 T HN 0.265 nan 8.240 nan 0.000 0.444 441 A N 1.438 124.314 122.820 0.094 0.000 1.902 441 A HA 0.131 4.451 4.320 -0.000 0.000 0.217 441 A C 2.638 180.234 177.584 0.019 0.000 1.181 441 A CA 1.886 53.997 52.037 0.124 0.000 0.623 441 A CB -1.118 18.028 19.000 0.243 0.000 0.818 441 A HN 0.511 nan 8.150 nan 0.000 0.443 442 A N -1.255 121.516 122.820 -0.082 0.000 1.858 442 A HA -0.172 4.147 4.320 -0.000 0.000 0.216 442 A C 2.148 179.547 177.584 -0.309 0.000 1.190 442 A CA 1.653 53.595 52.037 -0.158 0.000 0.617 442 A CB -0.557 18.342 19.000 -0.168 0.000 0.827 442 A HN 0.471 nan 8.150 nan 0.000 0.443 443 Q N -1.030 118.405 119.800 -0.608 0.000 2.061 443 Q HA -0.184 4.156 4.340 -0.000 0.000 0.204 443 Q C 1.236 176.829 176.000 -0.679 0.000 0.984 443 Q CA 1.717 57.014 55.803 -0.843 0.000 0.846 443 Q CB -0.428 27.425 28.738 -1.475 0.000 0.902 443 Q HN 0.865 nan 8.270 nan 0.000 0.421 444 Y N 0.025 120.202 120.300 -0.205 0.000 2.493 444 Y HA 0.128 4.678 4.550 -0.000 0.000 0.275 444 Y C 0.340 176.198 175.900 -0.070 0.000 1.183 444 Y CA -0.404 57.630 58.100 -0.110 0.000 1.258 444 Y CB -0.364 38.049 38.460 -0.078 0.000 1.108 444 Y HN 0.165 nan 8.280 nan 0.000 0.521 445 N N 1.433 120.132 118.700 -0.003 0.000 2.686 445 N HA -0.231 4.509 4.740 -0.000 0.000 0.261 445 N C -1.110 174.430 175.510 0.049 0.000 1.001 445 N CA 0.293 53.349 53.050 0.010 0.000 0.764 445 N CB -1.093 37.391 38.487 -0.006 0.000 0.898 445 N HN 0.406 nan 8.380 nan 0.000 0.544 446 I N 1.535 122.150 120.570 0.074 0.000 2.287 446 I HA 0.203 4.373 4.170 -0.000 0.000 0.290 446 I C -1.280 174.869 176.117 0.053 0.000 1.069 446 I CA -2.027 59.315 61.300 0.069 0.000 1.237 446 I CB 1.172 39.228 38.000 0.093 0.000 1.418 446 I HN 0.132 nan 8.210 nan 0.000 0.481 447 P HA -0.064 nan 4.420 nan 0.000 0.311 447 P C 0.133 177.401 177.300 -0.054 0.000 1.543 447 P CA 0.214 63.314 63.100 0.000 0.000 0.766 447 P CB -0.707 30.988 31.700 -0.008 0.000 1.711 448 T N 1.273 115.773 114.554 -0.088 0.000 2.918 448 T HA 0.252 4.602 4.350 -0.000 0.000 0.302 448 T C 0.754 175.204 174.700 -0.417 0.000 1.045 448 T CA 0.230 62.141 62.100 -0.314 0.000 1.114 448 T CB 0.685 69.254 68.868 -0.499 0.000 0.965 448 T HN 0.063 nan 8.240 nan 0.000 0.540 449 I N 3.240 123.533 120.570 -0.463 0.000 2.339 449 I HA 0.350 4.520 4.170 -0.000 0.000 0.290 449 I C -0.877 174.987 176.117 -0.421 0.000 0.994 449 I CA -0.649 60.479 61.300 -0.288 0.000 1.191 449 I CB 0.918 38.839 38.000 -0.132 0.000 1.343 449 I HN 0.511 nan 8.210 nan 0.000 0.458 450 F N 5.980 125.944 119.950 0.024 0.000 2.361 450 F HA 0.379 4.906 4.527 -0.000 0.000 0.364 450 F C 0.079 175.890 175.800 0.018 0.000 1.117 450 F CA -0.879 57.137 58.000 0.027 0.000 1.071 450 F CB 1.266 40.287 39.000 0.035 0.000 1.188 450 F HN 0.015 nan 8.300 nan 0.000 0.464 451 V N 5.637 125.637 119.914 0.144 0.000 2.318 451 V HA 0.264 4.384 4.120 -0.000 0.000 0.271 451 V C 0.102 176.220 176.094 0.039 0.000 1.030 451 V CA -0.558 61.788 62.300 0.078 0.000 0.844 451 V CB 0.585 32.441 31.823 0.056 0.000 1.015 451 V HN 0.423 nan 8.190 nan 0.000 0.460 452 I N 6.089 126.642 120.570 -0.029 0.000 2.337 452 I HA 0.293 4.462 4.170 -0.000 0.000 0.291 452 I C 0.292 176.313 176.117 -0.159 0.000 1.046 452 I CA -0.312 60.888 61.300 -0.167 0.000 1.324 452 I CB 1.208 38.944 38.000 -0.441 0.000 1.409 452 I HN 0.443 nan 8.210 nan 0.000 0.494 453 M N 5.840 125.374 119.600 -0.109 0.000 2.264 453 M HA 0.138 4.618 4.480 -0.000 0.000 0.340 453 M C 0.180 176.433 176.300 -0.079 0.000 1.420 453 M CA -0.017 55.238 55.300 -0.075 0.000 1.254 453 M CB -0.587 31.998 32.600 -0.026 0.000 1.575 453 M HN 0.356 nan 8.290 nan 0.000 0.452 454 N N 3.839 122.495 118.700 -0.074 0.000 2.527 454 N HA 0.159 4.899 4.740 -0.000 0.000 0.236 454 N C -0.099 175.426 175.510 0.025 0.000 0.999 454 N CA -0.084 52.954 53.050 -0.020 0.000 0.935 454 N CB 0.460 38.960 38.487 0.021 0.000 1.132 454 N HN 0.492 nan 8.380 nan 0.000 0.511 455 N N 2.027 120.753 118.700 0.045 0.000 2.200 455 N HA 0.161 4.901 4.740 -0.000 0.000 0.224 455 N C 0.896 176.440 175.510 0.057 0.000 1.179 455 N CA 0.059 53.136 53.050 0.045 0.000 0.877 455 N CB 0.033 38.549 38.487 0.048 0.000 1.072 455 N HN 0.449 nan 8.380 nan 0.000 0.519 456 G N -0.907 107.935 108.800 0.071 0.000 2.233 456 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.270 456 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.270 456 G C -0.009 174.900 174.900 0.015 0.000 1.011 456 G CA 1.068 46.201 45.100 0.055 0.000 0.762 456 G HN 0.801 nan 8.290 nan 0.000 0.511 457 T N -1.976 112.597 114.554 0.033 0.000 2.821 457 T HA 0.505 4.855 4.350 -0.000 0.000 0.306 457 T C -0.535 174.239 174.700 0.123 0.000 1.313 457 T CA -0.634 61.476 62.100 0.017 0.000 1.012 457 T CB 0.901 69.812 68.868 0.071 0.000 1.298 457 T HN 0.237 nan 8.240 nan 0.000 0.502 458 Y N 2.571 122.956 120.300 0.142 0.000 2.623 458 Y HA 0.232 4.782 4.550 -0.000 0.000 0.341 458 Y C 1.894 177.896 175.900 0.170 0.000 1.292 458 Y CA -0.551 57.648 58.100 0.164 0.000 1.840 458 Y CB -0.010 38.553 38.460 0.171 0.000 1.865 458 Y HN 0.960 nan 8.280 nan 0.000 0.440 459 G N 1.498 110.478 108.800 0.301 0.000 2.599 459 G HA2 -0.432 3.528 3.960 -0.000 0.000 0.219 459 G HA3 -0.432 3.528 3.960 -0.000 0.000 0.219 459 G C 1.844 176.907 174.900 0.273 0.000 1.193 459 G CA 1.168 46.414 45.100 0.243 0.000 0.778 459 G HN 0.649 nan 8.290 nan 0.000 0.589 460 A N 0.292 123.263 122.820 0.252 0.000 1.948 460 A HA -0.018 4.302 4.320 -0.000 0.000 0.220 460 A C 2.481 180.265 177.584 0.333 0.000 1.177 460 A CA 1.682 53.874 52.037 0.258 0.000 0.636 460 A CB -0.385 18.738 19.000 0.205 0.000 0.815 460 A HN 0.411 nan 8.150 nan 0.000 0.449 461 L N -1.752 119.658 121.223 0.312 0.000 2.156 461 L HA -0.101 4.239 4.340 -0.000 0.000 0.208 461 L C 2.829 179.893 176.870 0.323 0.000 1.095 461 L CA 1.031 56.065 54.840 0.323 0.000 0.770 461 L CB -0.484 41.741 42.059 0.276 0.000 0.914 461 L HN 0.368 nan 8.230 nan 0.000 0.439 462 R N -0.649 120.037 120.500 0.310 0.000 2.092 462 R HA -0.197 4.142 4.340 -0.000 0.000 0.231 462 R C 2.141 178.623 176.300 0.303 0.000 1.119 462 R CA 1.581 57.837 56.100 0.260 0.000 0.970 462 R CB -0.359 30.087 30.300 0.244 0.000 0.864 462 R HN 0.508 nan 8.270 nan 0.000 0.440 463 W N 0.864 122.259 121.300 0.159 0.000 2.322 463 W HA -0.305 4.354 4.660 -0.000 0.000 0.326 463 W C 1.850 178.490 176.519 0.201 0.000 1.224 463 W CA 1.340 58.777 57.345 0.153 0.000 1.257 463 W CB -0.803 28.746 29.460 0.147 0.000 1.174 463 W HN 0.042 nan 8.180 nan 0.000 0.460 464 F N 1.640 121.674 119.950 0.141 0.000 2.111 464 F HA -0.367 4.160 4.527 -0.000 0.000 0.300 464 F C 2.476 178.238 175.800 -0.063 0.000 1.088 464 F CA 2.413 60.404 58.000 -0.015 0.000 1.243 464 F CB -0.555 38.498 39.000 0.087 0.000 0.996 464 F HN -0.005 nan 8.300 nan 0.000 0.483 465 A N 0.377 123.185 122.820 -0.021 0.000 1.917 465 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 465 A C 2.391 179.857 177.584 -0.196 0.000 1.182 465 A CA 1.987 53.939 52.037 -0.142 0.000 0.633 465 A CB -1.837 17.161 19.000 -0.003 0.000 0.819 465 A HN 0.540 nan 8.150 nan 0.000 0.448 466 G N -0.344 108.349 108.800 -0.179 0.000 2.418 466 G HA2 -0.151 3.808 3.960 -0.000 0.000 0.217 466 G HA3 -0.151 3.808 3.960 -0.000 0.000 0.217 466 G C 1.680 176.398 174.900 -0.304 0.000 1.158 466 G CA 2.195 47.149 45.100 -0.243 0.000 0.771 466 G HN 1.103 nan 8.290 nan 0.000 0.545 467 V N 0.252 119.946 119.914 -0.367 0.000 2.237 467 V HA -0.092 4.028 4.120 -0.000 0.000 0.245 467 V C 2.682 178.629 176.094 -0.245 0.000 1.046 467 V CA 1.888 64.023 62.300 -0.276 0.000 1.007 467 V CB -0.857 30.882 31.823 -0.140 0.000 0.638 467 V HN 0.303 nan 8.190 nan 0.000 0.445 468 L N 0.205 121.204 121.223 -0.374 0.000 2.549 468 L HA -0.013 4.327 4.340 -0.000 0.000 0.230 468 L C 1.733 178.473 176.870 -0.215 0.000 1.162 468 L CA 1.446 56.084 54.840 -0.337 0.000 0.834 468 L CB -1.396 40.355 42.059 -0.513 0.000 0.947 468 L HN 0.531 nan 8.230 nan 0.000 0.452 469 E N -0.807 119.277 120.200 -0.194 0.000 2.735 469 E HA -0.260 4.090 4.350 -0.000 0.000 0.261 469 E C 0.606 177.137 176.600 -0.116 0.000 1.137 469 E CA 0.293 56.613 56.400 -0.133 0.000 0.754 469 E CB -0.907 28.732 29.700 -0.101 0.000 1.352 469 E HN 0.614 nan 8.360 nan 0.000 0.430 470 A N 1.345 124.075 122.820 -0.150 0.000 2.492 470 A HA 0.189 4.509 4.320 -0.000 0.000 0.254 470 A C 0.372 177.912 177.584 -0.074 0.000 1.091 470 A CA 0.458 52.424 52.037 -0.119 0.000 0.768 470 A CB 0.296 19.200 19.000 -0.159 0.000 1.028 470 A HN 0.215 nan 8.150 nan 0.000 0.498 471 E N 1.792 121.963 120.200 -0.048 0.000 2.299 471 E HA 0.407 4.757 4.350 -0.000 0.000 0.265 471 E C -0.562 176.030 176.600 -0.012 0.000 0.911 471 E CA -1.230 55.155 56.400 -0.026 0.000 0.789 471 E CB 1.045 30.731 29.700 -0.023 0.000 1.246 471 E HN 0.679 nan 8.360 nan 0.000 0.427 472 N N -0.292 118.408 118.700 0.000 0.000 2.780 472 N HA -0.133 4.606 4.740 -0.000 0.000 0.248 472 N C -1.005 174.515 175.510 0.016 0.000 1.102 472 N CA 0.356 53.411 53.050 0.008 0.000 0.697 472 N CB -1.292 37.197 38.487 0.004 0.000 1.028 472 N HN 0.164 nan 8.380 nan 0.000 0.554 473 V N 2.203 122.130 119.914 0.023 0.000 2.406 473 V HA 0.310 4.430 4.120 -0.000 0.000 0.272 473 V C -0.834 175.294 176.094 0.056 0.000 1.043 473 V CA -0.834 61.489 62.300 0.038 0.000 0.915 473 V CB 1.248 33.097 31.823 0.044 0.000 0.988 473 V HN 0.131 nan 8.190 nan 0.000 0.466 474 P HA 0.301 nan 4.420 nan 0.000 0.277 474 P C 0.652 178.009 177.300 0.095 0.000 1.271 474 P CA 0.235 63.373 63.100 0.063 0.000 0.795 474 P CB 0.805 32.535 31.700 0.051 0.000 1.101 475 G N 0.010 108.864 108.800 0.090 0.000 2.341 475 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.292 475 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.292 475 G C 0.535 175.553 174.900 0.196 0.000 1.021 475 G CA 0.477 45.651 45.100 0.123 0.000 0.905 475 G HN 0.483 nan 8.290 nan 0.000 0.508 476 L N -1.064 120.251 121.223 0.153 0.000 2.554 476 L HA 0.253 4.593 4.340 -0.000 0.000 0.225 476 L C 0.379 177.270 176.870 0.035 0.000 1.104 476 L CA 0.082 55.053 54.840 0.217 0.000 0.866 476 L CB 0.080 42.254 42.059 0.191 0.000 1.047 476 L HN 0.134 nan 8.230 nan 0.000 0.468 477 D N 0.447 120.815 120.400 -0.054 0.000 2.248 477 D HA 0.332 4.972 4.640 -0.000 0.000 0.246 477 D C -0.034 176.136 176.300 -0.216 0.000 1.027 477 D CA -0.079 53.850 54.000 -0.119 0.000 0.853 477 D CB 3.058 43.836 40.800 -0.036 0.000 1.243 477 D HN -0.196 nan 8.370 nan 0.000 0.462 478 V N -0.754 119.020 119.914 -0.233 0.000 2.468 478 V HA 0.353 4.473 4.120 -0.000 0.000 0.256 478 V C -2.522 173.524 176.094 -0.079 0.000 0.998 478 V CA -1.359 60.822 62.300 -0.199 0.000 1.114 478 V CB 0.476 32.119 31.823 -0.299 0.000 1.378 478 V HN 0.315 nan 8.190 nan 0.000 0.573 479 P HA 0.435 nan 4.420 nan 0.000 0.276 479 P C 0.827 178.104 177.300 -0.039 0.000 1.261 479 P CA 0.955 64.040 63.100 -0.025 0.000 0.800 479 P CB 1.341 33.029 31.700 -0.020 0.000 1.066 480 G N -0.024 108.755 108.800 -0.035 0.000 2.198 480 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.257 480 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.257 480 G C -0.161 174.671 174.900 -0.112 0.000 1.042 480 G CA -0.118 44.946 45.100 -0.060 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.501 120.980 120.570 -0.152 0.000 2.389 481 I HA 0.286 4.456 4.170 -0.000 0.000 0.288 481 I C -0.705 175.148 176.117 -0.439 0.000 0.999 481 I CA -0.820 60.260 61.300 -0.367 0.000 1.129 481 I CB 1.792 39.462 38.000 -0.551 0.000 1.288 481 I HN 0.017 nan 8.210 nan 0.000 0.444 482 D N 6.450 126.623 120.400 -0.379 0.000 2.456 482 D HA 0.203 4.843 4.640 -0.000 0.000 0.219 482 D C 0.602 176.737 176.300 -0.275 0.000 1.126 482 D CA -0.279 53.588 54.000 -0.221 0.000 0.890 482 D CB 0.571 41.301 40.800 -0.118 0.000 1.025 482 D HN 0.298 nan 8.370 nan 0.000 0.511 483 F N 2.003 121.960 119.950 0.012 0.000 2.293 483 F HA 0.011 4.538 4.527 -0.000 0.000 0.300 483 F C 2.368 178.177 175.800 0.016 0.000 1.086 483 F CA 0.494 58.505 58.000 0.018 0.000 1.375 483 F CB 0.008 39.027 39.000 0.032 0.000 1.045 483 F HN 0.231 nan 8.300 nan 0.000 0.516 484 R N 0.181 120.774 120.500 0.155 0.000 2.092 484 R HA -0.068 4.272 4.340 -0.000 0.000 0.231 484 R C 2.478 178.804 176.300 0.043 0.000 1.119 484 R CA 1.123 57.281 56.100 0.097 0.000 0.970 484 R CB -0.660 29.685 30.300 0.075 0.000 0.864 484 R HN 0.263 nan 8.270 nan 0.000 0.440 485 A N 0.967 123.788 122.820 0.002 0.000 1.898 485 A HA -0.110 4.210 4.320 -0.000 0.000 0.216 485 A C 2.116 179.667 177.584 -0.055 0.000 1.181 485 A CA 1.094 53.108 52.037 -0.037 0.000 0.620 485 A CB -0.516 18.444 19.000 -0.066 0.000 0.819 485 A HN 0.177 nan 8.150 nan 0.000 0.442 486 L N -0.778 120.413 121.223 -0.054 0.000 2.046 486 L HA -0.209 4.131 4.340 -0.000 0.000 0.208 486 L C 3.121 180.002 176.870 0.018 0.000 1.077 486 L CA 1.086 55.898 54.840 -0.046 0.000 0.747 486 L CB -0.612 41.442 42.059 -0.009 0.000 0.896 486 L HN 0.451 nan 8.230 nan 0.000 0.432 487 A N 0.186 123.047 122.820 0.067 0.000 1.902 487 A HA -0.269 4.051 4.320 -0.000 0.000 0.217 487 A C 2.410 180.033 177.584 0.065 0.000 1.181 487 A CA 2.058 54.146 52.037 0.086 0.000 0.623 487 A CB -0.488 18.564 19.000 0.086 0.000 0.818 487 A HN 0.347 nan 8.150 nan 0.000 0.443 488 K N -0.562 119.853 120.400 0.025 0.000 2.097 488 K HA -0.115 4.205 4.320 -0.000 0.000 0.206 488 K C 2.019 178.604 176.600 -0.025 0.000 1.049 488 K CA 1.414 57.706 56.287 0.008 0.000 0.933 488 K CB -0.585 31.911 32.500 -0.007 0.000 0.717 488 K HN 0.381 nan 8.250 nan 0.000 0.442 489 G N -0.176 108.561 108.800 -0.105 0.000 2.469 489 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.220 489 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.220 489 G C 0.863 175.597 174.900 -0.275 0.000 1.136 489 G CA 0.922 45.867 45.100 -0.259 0.000 0.759 489 G HN 0.448 nan 8.290 nan 0.000 0.562 490 Y N 0.062 120.420 120.300 0.095 0.000 2.571 490 Y HA 0.373 4.923 4.550 0.000 0.000 0.275 490 Y C 1.765 177.742 175.900 0.129 0.000 1.179 490 Y CA -0.213 58.002 58.100 0.190 0.000 1.242 490 Y CB 0.659 39.234 38.460 0.190 0.000 1.126 490 Y HN 0.268 nan 8.280 nan 0.000 0.524 491 G N 0.900 109.804 108.800 0.172 0.000 2.198 491 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.257 491 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.257 491 G C -0.507 174.430 174.900 0.063 0.000 1.042 491 G CA 0.177 45.330 45.100 0.088 0.000 0.791 491 G HN 0.145 nan 8.290 nan 0.000 0.502 492 V N 0.521 120.485 119.914 0.083 0.000 2.417 492 V HA 0.410 4.530 4.120 -0.000 0.000 0.291 492 V C 0.825 176.963 176.094 0.074 0.000 1.024 492 V CA -0.746 61.601 62.300 0.078 0.000 0.861 492 V CB 1.877 33.750 31.823 0.084 0.000 0.985 492 V HN 0.519 nan 8.190 nan 0.000 0.436 493 Q N 2.592 122.434 119.800 0.071 0.000 2.283 493 Q HA 0.370 4.709 4.340 -0.000 0.000 0.301 493 Q C -0.159 175.888 176.000 0.079 0.000 1.063 493 Q CA 0.176 56.017 55.803 0.063 0.000 0.952 493 Q CB 0.761 29.533 28.738 0.057 0.000 1.166 493 Q HN 0.941 nan 8.270 nan 0.000 0.381 494 A N 4.946 127.806 122.820 0.068 0.000 2.374 494 A HA 0.796 5.116 4.320 -0.000 0.000 0.317 494 A C -1.300 176.323 177.584 0.065 0.000 1.094 494 A CA -0.702 51.381 52.037 0.077 0.000 0.765 494 A CB 1.130 20.176 19.000 0.077 0.000 1.268 494 A HN 0.742 nan 8.150 nan 0.000 0.438 495 L N 0.505 121.770 121.223 0.069 0.000 2.376 495 L HA 0.675 5.015 4.340 -0.000 0.000 0.258 495 L C -0.530 176.373 176.870 0.056 0.000 1.013 495 L CA -1.049 53.824 54.840 0.054 0.000 0.822 495 L CB 2.510 44.598 42.059 0.048 0.000 1.388 495 L HN 0.711 nan 8.230 nan 0.000 0.413 496 K N 1.201 121.628 120.400 0.045 0.000 2.316 496 K HA 0.827 5.146 4.320 -0.000 0.000 0.251 496 K C -1.328 175.290 176.600 0.030 0.000 0.934 496 K CA -0.294 56.019 56.287 0.043 0.000 0.802 496 K CB 2.167 34.693 32.500 0.042 0.000 1.171 496 K HN 0.630 nan 8.250 nan 0.000 0.426 497 A N 3.733 126.567 122.820 0.023 0.000 2.522 497 A HA 0.332 4.652 4.320 -0.000 0.000 0.285 497 A C -0.788 176.799 177.584 0.005 0.000 1.198 497 A CA -0.613 51.431 52.037 0.012 0.000 0.742 497 A CB 0.470 19.473 19.000 0.005 0.000 1.176 497 A HN 0.834 nan 8.150 nan 0.000 0.444 498 D N 1.038 121.441 120.400 0.006 0.000 2.350 498 D HA 0.054 4.694 4.640 -0.000 0.000 0.213 498 D C 0.077 176.373 176.300 -0.007 0.000 1.031 498 D CA 0.901 54.901 54.000 0.001 0.000 0.861 498 D CB 0.416 41.219 40.800 0.006 0.000 0.926 498 D HN 0.789 nan 8.370 nan 0.000 0.520 499 N N -1.167 117.530 118.700 -0.005 0.000 3.020 499 N HA 0.053 4.793 4.740 -0.000 0.000 0.248 499 N C 0.260 175.768 175.510 -0.002 0.000 1.480 499 N CA -0.738 52.309 53.050 -0.005 0.000 0.874 499 N CB 1.068 39.555 38.487 0.001 0.000 1.433 499 N HN -0.246 nan 8.380 nan 0.000 0.530 500 L N 0.006 121.230 121.223 0.002 0.000 2.043 500 L HA -0.032 4.307 4.340 -0.000 0.000 0.212 500 L C 1.668 178.543 176.870 0.008 0.000 1.075 500 L CA 2.050 56.893 54.840 0.006 0.000 0.752 500 L CB -0.882 41.185 42.059 0.014 0.000 0.891 500 L HN 0.659 nan 8.230 nan 0.000 0.432 501 E N -0.419 119.787 120.200 0.009 0.000 2.110 501 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 501 E C 2.206 178.812 176.600 0.010 0.000 0.988 501 E CA 1.292 57.698 56.400 0.010 0.000 0.804 501 E CB -0.236 29.470 29.700 0.010 0.000 0.745 501 E HN 0.686 nan 8.360 nan 0.000 0.458 502 Q N 0.013 119.818 119.800 0.009 0.000 2.119 502 Q HA -0.117 4.223 4.340 -0.000 0.000 0.201 502 Q C 2.260 178.266 176.000 0.010 0.000 0.972 502 Q CA 0.676 56.485 55.803 0.010 0.000 0.847 502 Q CB -0.131 28.613 28.738 0.010 0.000 0.903 502 Q HN 0.122 nan 8.270 nan 0.000 0.433 503 L N 1.416 122.643 121.223 0.006 0.000 1.989 503 L HA -0.226 4.114 4.340 -0.000 0.000 0.211 503 L C 1.861 178.737 176.870 0.010 0.000 1.071 503 L CA 1.924 56.767 54.840 0.004 0.000 0.749 503 L CB -0.307 41.748 42.059 -0.006 0.000 0.890 503 L HN -0.003 nan 8.230 nan 0.000 0.431 504 K N -0.691 119.716 120.400 0.011 0.000 2.032 504 K HA -0.137 4.183 4.320 -0.000 0.000 0.209 504 K C 2.005 178.613 176.600 0.015 0.000 1.048 504 K CA 1.364 57.660 56.287 0.014 0.000 0.927 504 K CB -0.829 31.679 32.500 0.014 0.000 0.712 504 K HN 0.578 nan 8.250 nan 0.000 0.441 505 G N 0.709 109.517 108.800 0.014 0.000 2.418 505 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.217 505 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.217 505 G C 1.550 176.460 174.900 0.016 0.000 1.158 505 G CA 0.966 46.074 45.100 0.014 0.000 0.771 505 G HN 0.193 nan 8.290 nan 0.000 0.545 506 S N 0.541 116.251 115.700 0.018 0.000 2.348 506 S HA -0.036 4.434 4.470 -0.000 0.000 0.221 506 S C 2.312 176.926 174.600 0.022 0.000 1.033 506 S CA 0.929 59.142 58.200 0.022 0.000 1.010 506 S CB -0.358 62.856 63.200 0.024 0.000 0.891 506 S HN 0.293 nan 8.310 nan 0.000 0.442 507 L N 1.314 122.549 121.223 0.020 0.000 2.012 507 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 507 L C 2.901 179.781 176.870 0.016 0.000 1.073 507 L CA 1.678 56.530 54.840 0.021 0.000 0.748 507 L CB -0.541 41.533 42.059 0.024 0.000 0.891 507 L HN 0.417 nan 8.230 nan 0.000 0.431 508 Q N -0.021 119.789 119.800 0.015 0.000 2.096 508 Q HA -0.290 4.049 4.340 -0.000 0.000 0.204 508 Q C 2.127 178.134 176.000 0.011 0.000 0.982 508 Q CA 2.042 57.852 55.803 0.012 0.000 0.850 508 Q CB -0.018 28.727 28.738 0.012 0.000 0.901 508 Q HN 0.474 nan 8.270 nan 0.000 0.422 509 E N -0.702 119.507 120.200 0.014 0.000 2.072 509 E HA -0.178 4.171 4.350 -0.000 0.000 0.191 509 E C 1.839 178.448 176.600 0.015 0.000 0.985 509 E CA 0.863 57.272 56.400 0.015 0.000 0.801 509 E CB -0.131 29.580 29.700 0.018 0.000 0.750 509 E HN 0.474 nan 8.360 nan 0.000 0.452 510 A N 1.042 123.873 122.820 0.018 0.000 1.877 510 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 510 A C 2.073 179.660 177.584 0.004 0.000 1.186 510 A CA 1.049 53.097 52.037 0.018 0.000 0.620 510 A CB -0.645 18.368 19.000 0.022 0.000 0.822 510 A HN 0.279 nan 8.150 nan 0.000 0.443 511 L N 0.841 122.064 121.223 -0.000 0.000 2.013 511 L HA -0.187 4.152 4.340 -0.000 0.000 0.212 511 L C 2.893 179.758 176.870 -0.008 0.000 1.073 511 L CA 2.626 57.460 54.840 -0.010 0.000 0.753 511 L CB -1.115 40.940 42.059 -0.007 0.000 0.890 511 L HN 0.624 nan 8.230 nan 0.000 0.432 512 S N -1.508 114.191 115.700 -0.001 0.000 2.527 512 S HA 0.241 4.711 4.470 -0.000 0.000 0.222 512 S C 1.108 175.710 174.600 0.002 0.000 0.985 512 S CA 0.090 58.290 58.200 -0.001 0.000 0.921 512 S CB -0.454 62.747 63.200 0.002 0.000 0.772 512 S HN 0.300 nan 8.310 nan 0.000 0.529 513 A N 2.044 124.867 122.820 0.005 0.000 2.483 513 A HA 0.376 4.696 4.320 -0.000 0.000 0.238 513 A C 1.139 178.727 177.584 0.006 0.000 1.070 513 A CA -0.374 51.669 52.037 0.009 0.000 0.770 513 A CB 0.319 19.330 19.000 0.018 0.000 1.008 513 A HN 0.245 nan 8.150 nan 0.000 0.497 514 K N 1.283 121.688 120.400 0.007 0.000 2.426 514 K HA 0.108 4.427 4.320 -0.000 0.000 0.193 514 K C 0.911 177.517 176.600 0.009 0.000 1.028 514 K CA 0.949 57.239 56.287 0.005 0.000 1.047 514 K CB 0.184 32.686 32.500 0.003 0.000 0.821 514 K HN 0.761 nan 8.250 nan 0.000 0.513 515 G N 1.956 110.766 108.800 0.016 0.000 3.140 515 G HA2 0.409 4.369 3.960 -0.000 0.000 0.271 515 G HA3 0.409 4.369 3.960 -0.000 0.000 0.271 515 G C -2.922 172.005 174.900 0.045 0.000 1.370 515 G CA -1.302 43.813 45.100 0.025 0.000 1.014 515 G HN -0.210 nan 8.290 nan 0.000 0.541 516 P HA 0.354 nan 4.420 nan 0.000 0.271 516 P C -0.830 176.566 177.300 0.160 0.000 1.218 516 P CA -0.083 63.105 63.100 0.147 0.000 0.780 516 P CB 1.645 33.497 31.700 0.253 0.000 0.901 517 V N 3.468 123.499 119.914 0.196 0.000 2.808 517 V HA 0.380 4.499 4.120 -0.000 0.000 0.308 517 V C -0.078 176.180 176.094 0.275 0.000 1.099 517 V CA -0.767 61.639 62.300 0.177 0.000 0.920 517 V CB 2.191 34.071 31.823 0.096 0.000 1.014 517 V HN 0.477 nan 8.190 nan 0.000 0.425 518 L N 5.440 126.801 121.223 0.230 0.000 2.341 518 L HA 0.721 5.061 4.340 -0.000 0.000 0.278 518 L C -1.178 175.780 176.870 0.146 0.000 1.005 518 L CA -0.384 54.598 54.840 0.236 0.000 0.818 518 L CB 1.387 43.547 42.059 0.169 0.000 1.259 518 L HN 0.616 nan 8.230 nan 0.000 0.418 519 I N 4.555 125.199 120.570 0.123 0.000 2.410 519 I HA 0.312 4.482 4.170 -0.000 0.000 0.286 519 I C -0.367 175.780 176.117 0.050 0.000 1.009 519 I CA -0.446 60.900 61.300 0.076 0.000 1.111 519 I CB 1.837 39.870 38.000 0.055 0.000 1.262 519 I HN 0.618 nan 8.210 nan 0.000 0.443 520 E N 6.384 126.617 120.200 0.055 0.000 2.105 520 E HA 0.353 4.702 4.350 -0.000 0.000 0.285 520 E C -1.236 175.373 176.600 0.015 0.000 1.055 520 E CA -0.486 55.934 56.400 0.033 0.000 0.843 520 E CB 1.159 30.931 29.700 0.120 0.000 1.067 520 E HN 0.356 nan 8.360 nan 0.000 0.398 521 V N 3.833 123.733 119.914 -0.023 0.000 2.394 521 V HA 0.158 4.278 4.120 -0.000 0.000 0.282 521 V C -0.003 176.075 176.094 -0.026 0.000 1.031 521 V CA -0.733 61.551 62.300 -0.026 0.000 0.881 521 V CB 1.690 33.483 31.823 -0.051 0.000 0.982 521 V HN 0.618 nan 8.190 nan 0.000 0.451 522 S N 3.829 119.519 115.700 -0.016 0.000 2.405 522 S HA 0.386 4.855 4.470 -0.000 0.000 0.291 522 S C 0.495 175.071 174.600 -0.040 0.000 1.137 522 S CA -0.516 57.676 58.200 -0.013 0.000 1.061 522 S CB 0.336 63.533 63.200 -0.005 0.000 1.001 522 S HN 0.976 nan 8.310 nan 0.000 0.507 523 T N -0.649 113.880 114.554 -0.042 0.000 2.952 523 T HA 0.668 5.018 4.350 -0.000 0.000 0.286 523 T C 0.280 174.941 174.700 -0.065 0.000 1.024 523 T CA -1.009 61.052 62.100 -0.066 0.000 1.029 523 T CB 0.958 69.794 68.868 -0.055 0.000 1.094 523 T HN 0.395 nan 8.240 nan 0.000 0.515 524 V N -0.679 119.170 119.914 -0.108 0.000 2.649 524 V HA 0.747 4.867 4.120 -0.000 0.000 0.292 524 V C 0.713 176.798 176.094 -0.016 0.000 1.055 524 V CA -0.285 61.958 62.300 -0.095 0.000 1.023 524 V CB -0.421 31.276 31.823 -0.210 0.000 0.992 524 V HN 1.386 nan 8.190 nan 0.000 0.480 525 S N 0.000 115.707 115.700 0.012 0.000 2.498 525 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 525 S CA 0.000 58.230 58.200 0.050 0.000 1.107 525 S CB 0.000 63.233 63.200 0.055 0.000 0.593 525 S HN 0.000 nan 8.310 nan 0.000 0.517