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 1bfd_1_A DATA FIRST_RESID 2 DATA SEQUENCE ASVHGTTYEL LRRQGIDTVF GNPGSNELPF LKDFPEDFRY ILALQEACVV DATA SEQUENCE GIADGYAQAS RKPAFINLHS AAGTGNAMGA LSNAWNSHSP LIVTAGQQTR DATA SEQUENCE AMIGVEALLT NVDAANLPRP LVKWSYEPAS AAEVPHAMSR AIHMASMAPQ DATA SEQUENCE GPVYLSVPYD DWDKDADPQS HHLFDRHVSS SVRLNDQDLD ILVKALNSAS DATA SEQUENCE NPAIVLGPDV DAANANADCV MLAERLKAPV WVAPSAPRCP FPTRHPCFRG DATA SEQUENCE LMPAGIAAIS QLLEGHDVVL VIGAPVFRYH QYDPGQYLKP GTRLISVTCD DATA SEQUENCE PLEAARAPMG DAIVADIGAM ASALANLVEE SSRQLPTAAP EPAKVDQDAG DATA SEQUENCE RLHPETVFDT LNDMAPENAI YLNESTSTTA QMWQRLNMRN PGSYYFCAAG DATA SEQUENCE GLGFALPAAI GVQLAEPERQ VIAVIGDGSA NYSISALWTA AQYNIPTIFV DATA SEQUENCE IMNNGTYGAL RWFAGVLEAE NVPGLDVPGI DFRALAKGYG VQALKADNLE DATA SEQUENCE QLKGSLQEAL SAKGPVLIEV STV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.667 177.584 0.139 0.000 1.274 2 A CA 0.000 52.111 52.037 0.122 0.000 0.836 2 A CB 0.000 19.090 19.000 0.150 0.000 0.831 3 S N 0.033 115.832 115.700 0.165 0.000 2.645 3 S HA 0.464 4.934 4.470 0.000 0.000 0.266 3 S C 1.141 175.886 174.600 0.242 0.000 1.258 3 S CA 0.074 58.391 58.200 0.196 0.000 0.990 3 S CB 1.027 64.363 63.200 0.227 0.000 0.967 3 S HN 1.442 nan 8.310 nan 0.000 0.556 4 V N 1.505 121.570 119.914 0.251 0.000 2.407 4 V HA -0.184 3.936 4.120 0.000 0.000 0.248 4 V C 2.548 178.909 176.094 0.445 0.000 1.055 4 V CA 2.208 64.667 62.300 0.264 0.000 1.049 4 V CB -1.415 30.493 31.823 0.141 0.000 0.662 4 V HN 1.033 nan 8.190 nan 0.000 0.455 5 H N 0.809 120.162 119.070 0.472 0.000 2.267 5 H HA -0.162 4.394 4.556 0.000 0.000 0.297 5 H C 2.313 177.852 175.328 0.351 0.000 1.080 5 H CA 2.263 58.611 56.048 0.500 0.000 1.278 5 H CB -0.461 29.522 29.762 0.368 0.000 1.365 5 H HN 0.414 nan 8.280 nan 0.000 0.489 6 G N -0.548 108.479 108.800 0.378 0.000 2.418 6 G HA2 -0.248 3.712 3.960 0.000 0.000 0.217 6 G HA3 -0.248 3.712 3.960 0.000 0.000 0.217 6 G C 1.798 176.807 174.900 0.181 0.000 1.158 6 G CA 1.335 46.578 45.100 0.240 0.000 0.771 6 G HN 0.456 nan 8.290 nan 0.000 0.545 7 T N 0.903 115.602 114.554 0.242 0.000 2.746 7 T HA -0.114 4.237 4.350 0.000 0.000 0.267 7 T C 2.623 177.494 174.700 0.286 0.000 1.039 7 T CA 1.778 64.067 62.100 0.314 0.000 1.142 7 T CB -0.459 68.593 68.868 0.306 0.000 0.866 7 T HN 0.293 nan 8.240 nan 0.000 0.444 8 T N 0.825 115.508 114.554 0.214 0.000 2.777 8 T HA -0.048 4.302 4.350 0.000 0.000 0.266 8 T C 1.642 176.316 174.700 -0.043 0.000 1.040 8 T CA 1.009 63.194 62.100 0.142 0.000 1.141 8 T CB -0.447 68.577 68.868 0.259 0.000 0.868 8 T HN 0.383 nan 8.240 nan 0.000 0.444 9 Y N 1.318 121.536 120.300 -0.138 0.000 2.293 9 Y HA -0.034 4.516 4.550 0.000 0.000 0.291 9 Y C 2.574 178.354 175.900 -0.201 0.000 1.137 9 Y CA 0.960 58.852 58.100 -0.348 0.000 1.202 9 Y CB -0.278 37.787 38.460 -0.658 0.000 0.990 9 Y HN 0.178 nan 8.280 nan 0.000 0.537 10 E N 0.324 120.499 120.200 -0.041 0.000 2.072 10 E HA -0.173 4.177 4.350 0.000 0.000 0.191 10 E C 2.051 178.470 176.600 -0.302 0.000 0.985 10 E CA 0.882 57.133 56.400 -0.247 0.000 0.801 10 E CB -0.532 28.880 29.700 -0.479 0.000 0.750 10 E HN 0.335 nan 8.360 nan 0.000 0.452 11 L N 0.242 121.422 121.223 -0.073 0.000 2.012 11 L HA -0.127 4.213 4.340 0.000 0.000 0.210 11 L C 2.122 179.048 176.870 0.093 0.000 1.073 11 L CA 1.744 56.676 54.840 0.154 0.000 0.748 11 L CB -0.641 41.610 42.059 0.320 0.000 0.891 11 L HN 0.274 nan 8.230 nan 0.000 0.431 12 L N -0.619 120.651 121.223 0.078 0.000 1.989 12 L HA -0.237 4.103 4.340 0.000 0.000 0.211 12 L C 2.846 179.794 176.870 0.130 0.000 1.071 12 L CA 1.867 56.767 54.840 0.100 0.000 0.749 12 L CB -0.696 41.413 42.059 0.083 0.000 0.890 12 L HN 0.355 nan 8.230 nan 0.000 0.431 13 R N 0.156 120.775 120.500 0.198 0.000 2.083 13 R HA -0.171 4.169 4.340 0.000 0.000 0.237 13 R C 2.464 178.771 176.300 0.011 0.000 1.137 13 R CA 1.398 57.562 56.100 0.108 0.000 0.951 13 R CB -0.088 30.311 30.300 0.166 0.000 0.851 13 R HN 0.230 nan 8.270 nan 0.000 0.434 14 R N 0.133 120.624 120.500 -0.014 0.000 2.148 14 R HA -0.054 4.286 4.340 0.000 0.000 0.227 14 R C 1.621 177.956 176.300 0.060 0.000 1.103 14 R CA 0.843 56.943 56.100 0.001 0.000 0.983 14 R CB -0.093 30.191 30.300 -0.027 0.000 0.874 14 R HN 0.405 nan 8.270 nan 0.000 0.451 15 Q N -0.462 119.380 119.800 0.070 0.000 2.280 15 Q HA 0.137 4.477 4.340 0.000 0.000 0.202 15 Q C 0.647 176.682 176.000 0.058 0.000 0.903 15 Q CA 0.446 56.297 55.803 0.079 0.000 0.948 15 Q CB 0.888 29.665 28.738 0.064 0.000 1.058 15 Q HN 0.540 nan 8.270 nan 0.000 0.493 16 G N 1.222 110.041 108.800 0.032 0.000 2.141 16 G HA2 -0.258 3.702 3.960 0.000 0.000 0.242 16 G HA3 -0.258 3.702 3.960 0.000 0.000 0.242 16 G C 0.143 175.038 174.900 -0.009 0.000 0.982 16 G CA -0.128 44.978 45.100 0.010 0.000 0.662 16 G HN 0.344 nan 8.290 nan 0.000 0.527 17 I N 1.411 121.970 120.570 -0.018 0.000 2.331 17 I HA 0.452 4.622 4.170 0.000 0.000 0.292 17 I C 0.496 176.412 176.117 -0.335 0.000 0.998 17 I CA -0.180 61.097 61.300 -0.038 0.000 1.267 17 I CB 1.492 39.534 38.000 0.070 0.000 1.386 17 I HN 0.229 nan 8.210 nan 0.000 0.476 18 D N 1.580 121.707 120.400 -0.454 0.000 2.538 18 D HA 0.104 4.744 4.640 0.000 0.000 0.241 18 D C -0.143 175.758 176.300 -0.665 0.000 1.297 18 D CA -0.060 53.321 54.000 -1.032 0.000 0.804 18 D CB 0.570 40.989 40.800 -0.635 0.000 1.122 18 D HN 0.270 nan 8.370 nan 0.000 0.519 19 T N -0.003 114.392 114.554 -0.265 0.000 2.886 19 T HA 0.594 4.944 4.350 0.000 0.000 0.292 19 T C -0.889 173.796 174.700 -0.025 0.000 1.012 19 T CA -0.650 61.329 62.100 -0.200 0.000 0.982 19 T CB 2.570 71.158 68.868 -0.467 0.000 1.018 19 T HN -0.129 nan 8.240 nan 0.000 0.451 20 V N 3.401 123.321 119.914 0.009 0.000 2.444 20 V HA 0.519 4.639 4.120 0.000 0.000 0.294 20 V C -1.073 174.817 176.094 -0.339 0.000 1.022 20 V CA -0.869 61.560 62.300 0.215 0.000 0.850 20 V CB 0.960 33.166 31.823 0.638 0.000 0.992 20 V HN 0.813 nan 8.190 nan 0.000 0.426 21 F N 3.244 123.176 119.950 -0.030 0.000 2.405 21 F HA 0.820 5.347 4.527 0.000 0.000 0.355 21 F C 0.888 176.570 175.800 -0.197 0.000 1.121 21 F CA -0.017 57.855 58.000 -0.212 0.000 1.112 21 F CB 1.806 40.737 39.000 -0.114 0.000 1.126 21 F HN 0.653 nan 8.300 nan 0.000 0.481 22 G N 2.295 110.948 108.800 -0.244 0.000 2.606 22 G HA2 0.311 4.271 3.960 0.000 0.000 0.300 22 G HA3 0.311 4.271 3.960 0.000 0.000 0.300 22 G C -2.158 172.809 174.900 0.112 0.000 1.360 22 G CA -0.885 44.214 45.100 -0.002 0.000 0.783 22 G HN 0.505 nan 8.290 nan 0.000 0.484 23 N N 0.972 119.801 118.700 0.216 0.000 2.533 23 N HA 0.367 5.107 4.740 0.000 0.000 0.289 23 N C -2.907 172.728 175.510 0.208 0.000 1.103 23 N CA -1.122 52.045 53.050 0.196 0.000 0.877 23 N CB 3.207 41.768 38.487 0.123 0.000 1.419 23 N HN 0.365 nan 8.380 nan 0.000 0.517 24 P HA 0.309 nan 4.420 nan 0.000 0.272 24 P C -0.257 177.025 177.300 -0.029 0.000 1.223 24 P CA 0.115 63.275 63.100 0.101 0.000 0.784 24 P CB 1.649 33.360 31.700 0.018 0.000 0.923 25 G N -0.410 108.343 108.800 -0.080 0.000 2.708 25 G HA2 0.382 4.343 3.960 0.000 0.000 0.289 25 G HA3 0.382 4.343 3.960 0.000 0.000 0.289 25 G C 0.745 175.527 174.900 -0.196 0.000 1.416 25 G CA -0.090 44.756 45.100 -0.425 0.000 0.829 25 G HN 0.421 nan 8.290 nan 0.000 0.480 26 S N -0.212 115.349 115.700 -0.233 0.000 2.402 26 S HA -0.119 4.351 4.470 0.000 0.000 0.229 26 S C 1.610 176.185 174.600 -0.042 0.000 1.021 26 S CA 1.389 59.532 58.200 -0.095 0.000 0.974 26 S CB -0.196 62.954 63.200 -0.083 0.000 0.800 26 S HN 0.418 nan 8.310 nan 0.000 0.484 27 N N 1.844 120.657 118.700 0.187 0.000 2.459 27 N HA 0.033 4.773 4.740 0.000 0.000 0.181 27 N C 1.028 176.713 175.510 0.292 0.000 1.046 27 N CA 1.012 54.221 53.050 0.265 0.000 0.904 27 N CB -0.246 38.466 38.487 0.375 0.000 0.964 27 N HN 0.591 nan 8.380 nan 0.000 0.444 28 E N -0.224 120.119 120.200 0.237 0.000 2.452 28 E HA 0.201 4.551 4.350 0.000 0.000 0.197 28 E C 1.790 178.484 176.600 0.157 0.000 1.022 28 E CA -0.125 56.427 56.400 0.254 0.000 0.890 28 E CB 0.029 29.895 29.700 0.277 0.000 0.918 28 E HN 0.220 nan 8.360 nan 0.000 0.496 29 L N 0.966 122.218 121.223 0.048 0.000 2.042 29 L HA -0.137 4.203 4.340 0.000 0.000 0.210 29 L C -0.632 176.238 176.870 -0.001 0.000 1.076 29 L CA 1.481 56.310 54.840 -0.017 0.000 0.749 29 L CB -1.426 40.588 42.059 -0.075 0.000 0.893 29 L HN 0.136 nan 8.230 nan 0.000 0.432 30 P HA -0.198 nan 4.420 nan 0.000 0.222 30 P C 1.348 178.648 177.300 0.001 0.000 1.147 30 P CA 1.255 64.424 63.100 0.114 0.000 0.790 30 P CB 0.011 31.929 31.700 0.362 0.000 0.780 31 F N -0.274 119.453 119.950 -0.372 0.000 2.317 31 F HA 0.060 4.587 4.527 0.000 0.000 0.293 31 F C 1.672 177.436 175.800 -0.060 0.000 1.085 31 F CA 1.083 58.647 58.000 -0.727 0.000 1.390 31 F CB -0.675 37.697 39.000 -1.047 0.000 1.077 31 F HN -0.280 nan 8.300 nan 0.000 0.517 32 L N 1.045 122.181 121.223 -0.145 0.000 2.395 32 L HA -0.027 4.313 4.340 0.000 0.000 0.218 32 L C 1.121 177.955 176.870 -0.060 0.000 1.130 32 L CA 0.179 54.946 54.840 -0.122 0.000 0.826 32 L CB -0.819 41.162 42.059 -0.129 0.000 0.941 32 L HN 0.057 nan 8.230 nan 0.000 0.451 33 K N -0.123 120.229 120.400 -0.081 0.000 2.380 33 K HA -0.053 4.267 4.320 0.000 0.000 0.267 33 K C -0.231 176.292 176.600 -0.129 0.000 0.990 33 K CA -0.244 55.977 56.287 -0.110 0.000 0.946 33 K CB 0.364 32.785 32.500 -0.132 0.000 0.937 33 K HN -0.063 nan 8.250 nan 0.000 0.491 34 D N 0.154 120.479 120.400 -0.125 0.000 2.751 34 D HA -0.225 4.415 4.640 0.000 0.000 0.233 34 D C -0.605 175.600 176.300 -0.159 0.000 1.149 34 D CA 0.843 54.761 54.000 -0.136 0.000 0.682 34 D CB -1.429 39.250 40.800 -0.201 0.000 1.068 34 D HN 0.516 nan 8.370 nan 0.000 0.429 35 F N 0.874 120.641 119.950 -0.306 0.000 2.612 35 F HA 0.136 4.663 4.527 0.000 0.000 0.389 35 F C -1.368 174.167 175.800 -0.441 0.000 1.055 35 F CA -1.210 56.520 58.000 -0.450 0.000 1.232 35 F CB 0.354 39.170 39.000 -0.307 0.000 1.044 35 F HN -0.142 nan 8.300 nan 0.000 0.560 36 P HA -0.014 nan 4.420 nan 0.000 0.265 36 P C 0.123 177.221 177.300 -0.337 0.000 1.193 36 P CA 0.251 62.920 63.100 -0.718 0.000 0.765 36 P CB 0.508 31.610 31.700 -0.996 0.000 0.823 37 E N 1.395 121.505 120.200 -0.149 0.000 2.268 37 E HA -0.158 4.192 4.350 0.000 0.000 0.195 37 E C 0.906 177.511 176.600 0.008 0.000 0.995 37 E CA 0.946 57.325 56.400 -0.034 0.000 0.836 37 E CB -0.057 29.624 29.700 -0.032 0.000 0.763 37 E HN 0.609 nan 8.360 nan 0.000 0.491 38 D N -0.307 120.104 120.400 0.019 0.000 2.339 38 D HA -0.047 4.593 4.640 0.000 0.000 0.217 38 D C 0.209 176.530 176.300 0.036 0.000 1.050 38 D CA 0.045 54.063 54.000 0.031 0.000 0.856 38 D CB -0.085 40.724 40.800 0.016 0.000 0.922 38 D HN -0.037 nan 8.370 nan 0.000 0.518 39 F N 0.945 120.770 119.950 -0.209 0.000 2.461 39 F HA 0.497 5.024 4.527 0.000 0.000 0.332 39 F C 0.800 176.646 175.800 0.077 0.000 1.073 39 F CA -1.145 56.744 58.000 -0.185 0.000 1.017 39 F CB 1.216 39.860 39.000 -0.593 0.000 1.301 39 F HN -0.301 nan 8.300 nan 0.000 0.492 40 R N 1.208 121.908 120.500 0.333 0.000 2.538 40 R HA 0.331 4.671 4.340 0.000 0.000 0.292 40 R C -2.267 174.189 176.300 0.259 0.000 1.008 40 R CA -0.634 55.604 56.100 0.229 0.000 0.896 40 R CB 1.216 31.494 30.300 -0.037 0.000 1.187 40 R HN 0.702 nan 8.270 nan 0.000 0.440 41 Y N 5.944 126.255 120.300 0.019 0.000 2.331 41 Y HA 0.442 4.992 4.550 0.000 0.000 0.338 41 Y C -0.787 174.983 175.900 -0.217 0.000 0.992 41 Y CA -0.895 57.103 58.100 -0.171 0.000 1.121 41 Y CB 1.124 39.295 38.460 -0.481 0.000 1.184 41 Y HN 0.437 nan 8.280 nan 0.000 0.469 42 I N 8.357 128.521 120.570 -0.677 0.000 2.330 42 I HA 0.171 4.341 4.170 0.000 0.000 0.286 42 I C -0.734 175.158 176.117 -0.375 0.000 1.025 42 I CA -0.775 60.152 61.300 -0.622 0.000 1.197 42 I CB 0.909 38.481 38.000 -0.715 0.000 1.358 42 I HN 0.519 nan 8.210 nan 0.000 0.467 43 L N 6.841 128.131 121.223 0.111 0.000 2.326 43 L HA 0.747 5.087 4.340 0.000 0.000 0.278 43 L C -0.008 177.085 176.870 0.373 0.000 1.092 43 L CA 0.238 55.261 54.840 0.306 0.000 0.810 43 L CB 1.198 43.599 42.059 0.570 0.000 1.153 43 L HN 0.698 nan 8.230 nan 0.000 0.439 44 A N 4.881 127.845 122.820 0.241 0.000 2.454 44 A HA 0.564 4.884 4.320 0.000 0.000 0.302 44 A C 0.342 177.982 177.584 0.094 0.000 1.079 44 A CA -0.641 51.520 52.037 0.208 0.000 0.731 44 A CB 1.122 20.201 19.000 0.133 0.000 1.299 44 A HN 0.855 nan 8.150 nan 0.000 0.413 45 L N -0.111 121.110 121.223 -0.002 0.000 2.395 45 L HA 0.105 4.445 4.340 0.000 0.000 0.218 45 L C 0.973 177.812 176.870 -0.051 0.000 1.130 45 L CA 0.872 55.642 54.840 -0.116 0.000 0.826 45 L CB -0.005 41.897 42.059 -0.263 0.000 0.941 45 L HN 0.695 nan 8.230 nan 0.000 0.451 46 Q N -0.469 119.326 119.800 -0.008 0.000 2.377 46 Q HA 0.137 4.477 4.340 0.000 0.000 0.279 46 Q C -0.238 175.786 176.000 0.039 0.000 1.049 46 Q CA -0.279 55.533 55.803 0.016 0.000 0.825 46 Q CB 2.466 31.212 28.738 0.013 0.000 1.401 46 Q HN -0.011 nan 8.270 nan 0.000 0.404 47 E N 1.178 121.410 120.200 0.053 0.000 2.153 47 E HA -0.133 4.217 4.350 0.000 0.000 0.194 47 E C 1.511 178.143 176.600 0.053 0.000 0.988 47 E CA 1.677 58.115 56.400 0.062 0.000 0.811 47 E CB 0.022 29.765 29.700 0.072 0.000 0.746 47 E HN 0.658 nan 8.360 nan 0.000 0.466 48 A N 0.160 123.011 122.820 0.051 0.000 1.933 48 A HA -0.201 4.119 4.320 0.000 0.000 0.218 48 A C 2.284 179.892 177.584 0.041 0.000 1.175 48 A CA 1.342 53.410 52.037 0.052 0.000 0.628 48 A CB -0.823 18.217 19.000 0.067 0.000 0.814 48 A HN 0.416 nan 8.150 nan 0.000 0.444 49 C N -1.451 117.870 119.300 0.034 0.000 2.466 49 C HA -0.015 4.445 4.460 0.000 0.000 0.278 49 C C 2.677 177.677 174.990 0.017 0.000 1.288 49 C CA 0.746 59.776 59.018 0.020 0.000 1.722 49 C CB -1.265 26.486 27.740 0.018 0.000 2.017 49 C HN 0.447 nan 8.230 nan 0.000 0.488 50 V N 1.137 121.074 119.914 0.038 0.000 2.255 50 V HA -0.225 3.895 4.120 0.000 0.000 0.247 50 V C 2.467 178.556 176.094 -0.008 0.000 1.051 50 V CA 2.349 64.678 62.300 0.048 0.000 1.018 50 V CB -0.771 31.097 31.823 0.076 0.000 0.641 50 V HN 0.462 nan 8.190 nan 0.000 0.445 51 V N 0.749 120.665 119.914 0.002 0.000 2.358 51 V HA -0.156 3.964 4.120 0.000 0.000 0.246 51 V C 2.632 178.696 176.094 -0.049 0.000 1.047 51 V CA 2.054 64.343 62.300 -0.018 0.000 1.035 51 V CB -1.458 30.381 31.823 0.027 0.000 0.658 51 V HN 0.621 nan 8.190 nan 0.000 0.452 52 G N 0.064 108.847 108.800 -0.029 0.000 2.440 52 G HA2 -0.229 3.731 3.960 0.000 0.000 0.218 52 G HA3 -0.229 3.731 3.960 0.000 0.000 0.218 52 G C 1.577 176.371 174.900 -0.176 0.000 1.154 52 G CA 1.124 46.188 45.100 -0.061 0.000 0.767 52 G HN 0.489 nan 8.290 nan 0.000 0.552 53 I N 1.317 121.779 120.570 -0.180 0.000 2.179 53 I HA -0.156 4.014 4.170 0.000 0.000 0.242 53 I C 3.316 179.137 176.117 -0.493 0.000 1.088 53 I CA 0.998 62.156 61.300 -0.237 0.000 1.357 53 I CB -0.283 37.651 38.000 -0.110 0.000 1.051 53 I HN 0.241 nan 8.210 nan 0.000 0.409 54 A N 0.277 122.646 122.820 -0.751 0.000 1.940 54 A HA -0.294 4.026 4.320 0.000 0.000 0.219 54 A C 2.059 179.405 177.584 -0.396 0.000 1.176 54 A CA 2.232 53.621 52.037 -1.080 0.000 0.631 54 A CB -0.657 17.920 19.000 -0.706 0.000 0.814 54 A HN 0.431 nan 8.150 nan 0.000 0.446 55 D N -0.408 119.870 120.400 -0.203 0.000 2.084 55 D HA -0.085 4.555 4.640 0.000 0.000 0.194 55 D C 2.111 178.374 176.300 -0.061 0.000 0.990 55 D CA 1.734 55.712 54.000 -0.038 0.000 0.826 55 D CB -0.661 40.208 40.800 0.115 0.000 0.971 55 D HN 0.303 nan 8.370 nan 0.000 0.453 56 G N -0.944 107.759 108.800 -0.160 0.000 2.440 56 G HA2 -0.322 3.638 3.960 0.000 0.000 0.218 56 G HA3 -0.322 3.638 3.960 0.000 0.000 0.218 56 G C 1.697 176.480 174.900 -0.195 0.000 1.154 56 G CA 0.981 45.919 45.100 -0.270 0.000 0.767 56 G HN 0.367 nan 8.290 nan 0.000 0.552 57 Y N 1.981 122.130 120.300 -0.251 0.000 2.128 57 Y HA -0.048 4.502 4.550 0.000 0.000 0.284 57 Y C 2.951 178.802 175.900 -0.082 0.000 1.154 57 Y CA 1.550 59.562 58.100 -0.147 0.000 1.149 57 Y CB -0.411 37.964 38.460 -0.141 0.000 0.976 57 Y HN 0.253 nan 8.280 nan 0.000 0.505 58 A N 0.004 122.806 122.820 -0.030 0.000 1.877 58 A HA -0.230 4.090 4.320 0.000 0.000 0.216 58 A C 2.129 179.678 177.584 -0.058 0.000 1.186 58 A CA 1.873 53.891 52.037 -0.032 0.000 0.620 58 A CB -0.774 18.250 19.000 0.041 0.000 0.822 58 A HN 0.648 nan 8.150 nan 0.000 0.443 59 Q N -0.749 119.024 119.800 -0.046 0.000 2.084 59 Q HA -0.138 4.202 4.340 0.000 0.000 0.202 59 Q C 2.420 178.438 176.000 0.030 0.000 0.978 59 Q CA 1.485 57.301 55.803 0.022 0.000 0.844 59 Q CB -0.351 28.418 28.738 0.052 0.000 0.898 59 Q HN 0.689 nan 8.270 nan 0.000 0.426 60 A N 0.328 123.088 122.820 -0.100 0.000 1.929 60 A HA -0.084 4.236 4.320 0.000 0.000 0.216 60 A C 2.188 179.716 177.584 -0.094 0.000 1.176 60 A CA 1.359 53.369 52.037 -0.046 0.000 0.628 60 A CB -0.177 18.748 19.000 -0.125 0.000 0.816 60 A HN 0.226 nan 8.150 nan 0.000 0.444 61 S N -1.120 114.444 115.700 -0.227 0.000 2.496 61 S HA 0.063 4.533 4.470 0.000 0.000 0.224 61 S C 0.631 175.165 174.600 -0.109 0.000 0.996 61 S CA 0.375 58.433 58.200 -0.237 0.000 0.927 61 S CB -0.127 62.790 63.200 -0.471 0.000 0.774 61 S HN 0.572 nan 8.310 nan 0.000 0.524 62 R N 0.911 121.375 120.500 -0.061 0.000 3.531 62 R HA -0.166 4.174 4.340 0.000 0.000 0.280 62 R C -0.492 175.806 176.300 -0.002 0.000 1.130 62 R CA 0.872 56.968 56.100 -0.007 0.000 0.757 62 R CB -1.913 28.392 30.300 0.008 0.000 1.218 62 R HN 0.642 nan 8.270 nan 0.000 0.454 63 K N -0.994 119.402 120.400 -0.008 0.000 2.536 63 K HA 0.572 4.892 4.320 0.000 0.000 0.269 63 K C -3.046 173.594 176.600 0.066 0.000 0.965 63 K CA -2.068 54.236 56.287 0.029 0.000 0.860 63 K CB 2.772 35.287 32.500 0.026 0.000 1.423 63 K HN -0.279 nan 8.250 nan 0.000 0.438 64 P HA 0.070 nan 4.420 nan 0.000 0.269 64 P C -0.981 176.452 177.300 0.221 0.000 1.209 64 P CA -0.174 63.009 63.100 0.138 0.000 0.776 64 P CB 1.102 32.880 31.700 0.129 0.000 0.876 65 A N 3.045 126.011 122.820 0.242 0.000 2.337 65 A HA 0.616 4.936 4.320 0.000 0.000 0.329 65 A C -1.224 176.578 177.584 0.364 0.000 1.146 65 A CA -0.634 51.619 52.037 0.360 0.000 0.800 65 A CB 0.650 19.800 19.000 0.251 0.000 1.220 65 A HN 0.506 nan 8.150 nan 0.000 0.472 66 F N 2.311 122.459 119.950 0.330 0.000 2.436 66 F HA 0.736 5.263 4.527 0.000 0.000 0.340 66 F C -0.594 175.408 175.800 0.337 0.000 1.113 66 F CA -0.692 57.480 58.000 0.287 0.000 1.022 66 F CB 0.908 40.074 39.000 0.277 0.000 1.128 66 F HN 0.425 nan 8.300 nan 0.000 0.466 67 I N 4.762 125.163 120.570 -0.281 0.000 2.608 67 I HA 0.330 4.500 4.170 0.000 0.000 0.295 67 I C -1.184 174.794 176.117 -0.232 0.000 1.049 67 I CA -0.901 60.352 61.300 -0.078 0.000 1.063 67 I CB 2.246 40.236 38.000 -0.016 0.000 1.248 67 I HN 0.544 nan 8.210 nan 0.000 0.424 68 N N 6.060 124.798 118.700 0.064 0.000 2.504 68 N HA 0.634 5.374 4.740 0.000 0.000 0.280 68 N C -1.633 173.985 175.510 0.179 0.000 1.052 68 N CA -0.329 52.805 53.050 0.141 0.000 0.887 68 N CB 1.129 39.876 38.487 0.432 0.000 1.323 68 N HN 0.471 nan 8.380 nan 0.000 0.509 69 L N 1.038 122.345 121.223 0.140 0.000 2.286 69 L HA 0.497 4.837 4.340 0.000 0.000 0.265 69 L C -0.464 176.535 176.870 0.214 0.000 1.012 69 L CA -1.238 53.706 54.840 0.173 0.000 0.818 69 L CB 1.418 43.565 42.059 0.146 0.000 1.337 69 L HN 0.572 nan 8.230 nan 0.000 0.438 70 H N 0.340 119.477 119.070 0.111 0.000 2.690 70 H HA 0.336 4.892 4.556 0.000 0.000 0.289 70 H C 0.305 175.693 175.328 0.100 0.000 1.089 70 H CA 0.721 56.832 56.048 0.104 0.000 1.299 70 H CB 0.813 30.628 29.762 0.088 0.000 1.405 70 H HN 0.690 nan 8.280 nan 0.000 0.463 71 S N 2.974 118.520 115.700 -0.256 0.000 3.055 71 S HA -0.382 4.088 4.470 0.000 0.000 0.628 71 S C 1.753 176.307 174.600 -0.077 0.000 3.040 71 S CA 1.796 59.853 58.200 -0.237 0.000 3.787 71 S CB -1.316 61.587 63.200 -0.495 0.000 0.299 71 S HN 1.089 nan 8.310 nan 0.000 1.470 72 A N 0.321 123.094 122.820 -0.078 0.000 1.897 72 A HA 0.364 4.684 4.320 0.000 0.000 0.215 72 A C 2.616 180.191 177.584 -0.015 0.000 1.181 72 A CA 2.339 54.361 52.037 -0.025 0.000 0.620 72 A CB -1.460 17.523 19.000 -0.028 0.000 0.821 72 A HN 1.660 nan 8.150 nan 0.000 0.443 73 A N -0.363 122.446 122.820 -0.018 0.000 1.902 73 A HA 0.123 4.443 4.320 0.000 0.000 0.217 73 A C 2.386 180.000 177.584 0.050 0.000 1.181 73 A CA 1.950 54.002 52.037 0.024 0.000 0.623 73 A CB -1.347 17.685 19.000 0.053 0.000 0.818 73 A HN 0.689 nan 8.150 nan 0.000 0.443 74 G N -1.230 107.613 108.800 0.072 0.000 2.402 74 G HA2 -0.119 3.841 3.960 0.000 0.000 0.216 74 G HA3 -0.119 3.841 3.960 0.000 0.000 0.216 74 G C 1.579 176.529 174.900 0.084 0.000 1.162 74 G CA 1.612 46.777 45.100 0.109 0.000 0.777 74 G HN 0.423 nan 8.290 nan 0.000 0.539 75 T N 1.025 115.625 114.554 0.076 0.000 2.708 75 T HA -0.046 4.304 4.350 0.000 0.000 0.266 75 T C 2.504 177.206 174.700 0.002 0.000 1.037 75 T CA 1.490 63.629 62.100 0.064 0.000 1.146 75 T CB -0.623 68.293 68.868 0.079 0.000 0.865 75 T HN 0.349 nan 8.240 nan 0.000 0.435 76 G N 1.997 110.792 108.800 -0.007 0.000 2.440 76 G HA2 -0.266 3.694 3.960 0.000 0.000 0.218 76 G HA3 -0.266 3.694 3.960 0.000 0.000 0.218 76 G C 1.625 176.526 174.900 0.002 0.000 1.154 76 G CA 0.699 45.788 45.100 -0.019 0.000 0.767 76 G HN 0.384 nan 8.290 nan 0.000 0.552 77 N N 0.996 119.711 118.700 0.024 0.000 2.364 77 N HA -0.018 4.722 4.740 0.000 0.000 0.183 77 N C 2.009 177.541 175.510 0.037 0.000 1.022 77 N CA 1.022 54.093 53.050 0.036 0.000 0.883 77 N CB -0.174 38.342 38.487 0.048 0.000 0.965 77 N HN 0.348 nan 8.380 nan 0.000 0.438 78 A N -0.453 122.387 122.820 0.032 0.000 2.308 78 A HA 0.204 4.524 4.320 0.000 0.000 0.217 78 A C 1.920 179.512 177.584 0.015 0.000 1.216 78 A CA -0.128 51.929 52.037 0.033 0.000 0.864 78 A CB -0.141 18.887 19.000 0.047 0.000 0.902 78 A HN 0.124 nan 8.150 nan 0.000 0.499 79 M N -0.561 119.034 119.600 -0.007 0.000 2.296 79 M HA -0.065 4.415 4.480 0.000 0.000 0.265 79 M C 2.191 178.479 176.300 -0.019 0.000 1.064 79 M CA 1.332 56.614 55.300 -0.030 0.000 1.109 79 M CB -0.271 32.293 32.600 -0.060 0.000 1.396 79 M HN 0.522 nan 8.290 nan 0.000 0.430 80 G N 0.133 108.931 108.800 -0.003 0.000 2.402 80 G HA2 -0.100 3.860 3.960 0.000 0.000 0.216 80 G HA3 -0.100 3.860 3.960 0.000 0.000 0.216 80 G C 1.635 176.536 174.900 0.001 0.000 1.162 80 G CA 0.858 45.955 45.100 -0.005 0.000 0.777 80 G HN 0.521 nan 8.290 nan 0.000 0.539 81 A N 0.553 123.388 122.820 0.026 0.000 1.972 81 A HA 0.136 4.456 4.320 0.000 0.000 0.219 81 A C 2.372 179.984 177.584 0.046 0.000 1.169 81 A CA 1.023 53.091 52.037 0.052 0.000 0.635 81 A CB -0.338 18.702 19.000 0.067 0.000 0.810 81 A HN 0.353 nan 8.150 nan 0.000 0.446 82 L N 0.520 121.764 121.223 0.035 0.000 2.201 82 L HA -0.158 4.182 4.340 0.000 0.000 0.212 82 L C 2.969 179.879 176.870 0.067 0.000 1.105 82 L CA 1.333 56.205 54.840 0.053 0.000 0.775 82 L CB -0.472 41.604 42.059 0.029 0.000 0.913 82 L HN 0.643 nan 8.230 nan 0.000 0.440 83 S N -0.333 115.380 115.700 0.022 0.000 2.368 83 S HA -0.166 4.304 4.470 0.000 0.000 0.225 83 S C 1.778 176.401 174.600 0.039 0.000 1.030 83 S CA 1.165 59.379 58.200 0.023 0.000 0.999 83 S CB -0.396 62.786 63.200 -0.029 0.000 0.844 83 S HN 0.424 nan 8.310 nan 0.000 0.459 84 N N 2.622 121.304 118.700 -0.030 0.000 2.142 84 N HA 0.066 4.806 4.740 0.000 0.000 0.186 84 N C 2.070 177.532 175.510 -0.081 0.000 1.023 84 N CA 1.490 54.465 53.050 -0.126 0.000 0.852 84 N CB -0.967 37.363 38.487 -0.262 0.000 0.998 84 N HN 0.615 nan 8.380 nan 0.000 0.424 85 A N 1.410 124.233 122.820 0.005 0.000 1.940 85 A HA -0.174 4.146 4.320 0.000 0.000 0.219 85 A C 2.067 179.688 177.584 0.061 0.000 1.176 85 A CA 1.067 53.128 52.037 0.040 0.000 0.631 85 A CB -1.067 17.985 19.000 0.087 0.000 0.814 85 A HN 0.593 nan 8.150 nan 0.000 0.446 86 W N 1.074 122.343 121.300 -0.052 0.000 2.333 86 W HA -0.214 4.446 4.660 0.000 0.000 0.316 86 W C 1.473 177.916 176.519 -0.127 0.000 1.215 86 W CA 2.058 59.375 57.345 -0.047 0.000 1.278 86 W CB -0.435 28.999 29.460 -0.042 0.000 1.154 86 W HN 0.400 nan 8.180 nan 0.000 0.486 87 N N 0.390 119.043 118.700 -0.078 0.000 2.309 87 N HA -0.152 4.588 4.740 0.000 0.000 0.182 87 N C 1.765 177.047 175.510 -0.379 0.000 1.018 87 N CA 2.044 54.951 53.050 -0.239 0.000 0.876 87 N CB -0.586 37.853 38.487 -0.080 0.000 0.972 87 N HN 0.155 nan 8.380 nan 0.000 0.434 88 S N -1.396 114.144 115.700 -0.266 0.000 2.575 88 S HA 0.073 4.543 4.470 0.000 0.000 0.215 88 S C -0.110 174.418 174.600 -0.119 0.000 0.966 88 S CA -0.280 57.813 58.200 -0.180 0.000 0.911 88 S CB -0.565 62.583 63.200 -0.087 0.000 0.780 88 S HN 0.414 nan 8.310 nan 0.000 0.514 89 H N 0.804 119.783 119.070 -0.152 0.000 2.770 89 H HA -0.128 4.428 4.556 0.000 0.000 0.309 89 H C -0.638 174.650 175.328 -0.066 0.000 1.206 89 H CA 0.391 56.343 56.048 -0.160 0.000 1.147 89 H CB -2.161 27.517 29.762 -0.139 0.000 1.422 89 H HN 0.359 nan 8.280 nan 0.000 0.420 90 S N 2.391 118.122 115.700 0.053 0.000 2.505 90 S HA 0.138 4.608 4.470 0.000 0.000 0.276 90 S C -1.812 172.831 174.600 0.072 0.000 1.274 90 S CA -1.027 57.212 58.200 0.066 0.000 1.053 90 S CB 1.009 64.245 63.200 0.061 0.000 0.919 90 S HN 0.210 nan 8.310 nan 0.000 0.490 91 P HA 0.214 nan 4.420 nan 0.000 0.260 91 P C -1.102 176.256 177.300 0.096 0.000 1.651 91 P CA -0.027 63.119 63.100 0.078 0.000 1.139 91 P CB -0.216 31.524 31.700 0.067 0.000 1.756 92 L N 4.367 125.652 121.223 0.103 0.000 2.313 92 L HA 0.515 4.855 4.340 0.000 0.000 0.283 92 L C 0.587 177.521 176.870 0.107 0.000 1.013 92 L CA -1.020 53.880 54.840 0.101 0.000 0.816 92 L CB 1.930 44.038 42.059 0.083 0.000 1.236 92 L HN 0.141 nan 8.230 nan 0.000 0.419 93 I N 4.031 124.654 120.570 0.087 0.000 2.307 93 I HA 0.225 4.395 4.170 0.000 0.000 0.287 93 I C -0.332 175.708 176.117 -0.129 0.000 1.054 93 I CA -0.502 60.824 61.300 0.042 0.000 1.218 93 I CB 1.336 39.409 38.000 0.122 0.000 1.398 93 I HN 0.230 nan 8.210 nan 0.000 0.475 94 V N 5.278 125.172 119.914 -0.033 0.000 2.364 94 V HA 0.371 4.491 4.120 0.000 0.000 0.272 94 V C 0.517 176.513 176.094 -0.164 0.000 1.036 94 V CA -0.405 61.865 62.300 -0.050 0.000 0.880 94 V CB 1.207 33.132 31.823 0.169 0.000 0.991 94 V HN 0.807 nan 8.190 nan 0.000 0.460 95 T N 2.185 116.559 114.554 -0.300 0.000 2.856 95 T HA 0.888 5.238 4.350 0.000 0.000 0.283 95 T C -0.425 174.158 174.700 -0.196 0.000 1.008 95 T CA -0.565 61.347 62.100 -0.313 0.000 0.997 95 T CB 2.074 70.764 68.868 -0.297 0.000 0.992 95 T HN 1.003 nan 8.240 nan 0.000 0.454 96 A N 1.551 124.231 122.820 -0.233 0.000 2.414 96 A HA 0.884 5.204 4.320 0.000 0.000 0.306 96 A C 0.270 177.848 177.584 -0.009 0.000 1.054 96 A CA -0.711 51.289 52.037 -0.062 0.000 0.724 96 A CB 1.377 20.378 19.000 0.002 0.000 1.267 96 A HN 1.335 nan 8.150 nan 0.000 0.418 97 G N 0.201 109.064 108.800 0.106 0.000 2.415 97 G HA2 0.492 4.452 3.960 0.000 0.000 0.269 97 G HA3 0.492 4.452 3.960 0.000 0.000 0.269 97 G C -0.268 174.703 174.900 0.119 0.000 1.209 97 G CA -0.077 45.135 45.100 0.187 0.000 0.835 97 G HN 0.856 nan 8.290 nan 0.000 0.534 98 Q N 0.260 120.138 119.800 0.130 0.000 2.297 98 Q HA 0.362 4.702 4.340 0.000 0.000 0.269 98 Q C 0.210 176.296 176.000 0.143 0.000 1.051 98 Q CA -0.699 55.146 55.803 0.070 0.000 0.869 98 Q CB 1.197 29.929 28.738 -0.010 0.000 1.346 98 Q HN 0.482 nan 8.270 nan 0.000 0.457 99 Q N 0.289 120.143 119.800 0.090 0.000 2.584 99 Q HA 0.084 4.424 4.340 0.000 0.000 0.235 99 Q C -0.498 175.404 176.000 -0.164 0.000 1.079 99 Q CA 0.290 56.151 55.803 0.096 0.000 0.977 99 Q CB 0.644 29.417 28.738 0.060 0.000 1.293 99 Q HN 0.834 nan 8.270 nan 0.000 0.553 100 T N 0.568 114.853 114.554 -0.448 0.000 2.940 100 T HA 0.022 4.372 4.350 0.000 0.000 0.309 100 T C 1.333 175.869 174.700 -0.273 0.000 1.056 100 T CA 0.071 61.787 62.100 -0.640 0.000 1.137 100 T CB 0.351 68.791 68.868 -0.713 0.000 0.976 100 T HN 0.477 nan 8.240 nan 0.000 0.547 101 R N 3.164 123.527 120.500 -0.229 0.000 2.139 101 R HA -0.150 4.190 4.340 0.000 0.000 0.243 101 R C 2.546 178.783 176.300 -0.104 0.000 1.145 101 R CA 1.480 57.495 56.100 -0.142 0.000 0.976 101 R CB -0.555 29.670 30.300 -0.125 0.000 0.866 101 R HN 0.758 nan 8.270 nan 0.000 0.449 102 A N 0.313 123.070 122.820 -0.105 0.000 2.070 102 A HA -0.079 4.241 4.320 0.000 0.000 0.220 102 A C 1.819 179.375 177.584 -0.048 0.000 1.159 102 A CA 1.164 53.162 52.037 -0.065 0.000 0.656 102 A CB -0.086 18.882 19.000 -0.054 0.000 0.800 102 A HN 0.211 nan 8.150 nan 0.000 0.453 103 M N -1.354 118.213 119.600 -0.055 0.000 2.347 103 M HA 0.305 4.785 4.480 0.000 0.000 0.302 103 M C 1.085 177.370 176.300 -0.025 0.000 1.051 103 M CA 0.052 55.336 55.300 -0.026 0.000 0.988 103 M CB 0.237 32.836 32.600 -0.001 0.000 1.475 103 M HN 0.314 nan 8.290 nan 0.000 0.530 104 I N 0.349 120.892 120.570 -0.044 0.000 2.226 104 I HA -0.186 3.984 4.170 0.000 0.000 0.245 104 I C 2.470 178.569 176.117 -0.030 0.000 1.100 104 I CA 1.608 62.885 61.300 -0.040 0.000 1.374 104 I CB -0.532 37.433 38.000 -0.058 0.000 1.057 104 I HN 0.388 nan 8.210 nan 0.000 0.413 105 G N 0.743 109.525 108.800 -0.031 0.000 2.440 105 G HA2 -0.228 3.732 3.960 0.000 0.000 0.218 105 G HA3 -0.228 3.732 3.960 0.000 0.000 0.218 105 G C 1.615 176.505 174.900 -0.016 0.000 1.154 105 G CA 1.244 46.330 45.100 -0.024 0.000 0.767 105 G HN 0.416 nan 8.290 nan 0.000 0.552 106 V N -2.253 117.654 119.914 -0.012 0.000 3.573 106 V HA 0.254 4.374 4.120 0.000 0.000 0.270 106 V C 0.623 176.716 176.094 -0.002 0.000 1.221 106 V CA 0.857 63.154 62.300 -0.005 0.000 1.163 106 V CB -0.822 31.001 31.823 -0.001 0.000 0.847 106 V HN 0.516 nan 8.190 nan 0.000 0.468 107 E N 0.010 120.207 120.200 -0.004 0.000 2.246 107 E HA -0.197 4.153 4.350 0.000 0.000 0.211 107 E C 0.629 177.235 176.600 0.010 0.000 1.278 107 E CA 0.213 56.613 56.400 -0.000 0.000 0.694 107 E CB -1.553 28.145 29.700 -0.004 0.000 1.166 107 E HN 1.042 nan 8.360 nan 0.000 0.370 108 A N 0.793 123.624 122.820 0.017 0.000 2.429 108 A HA 0.344 4.664 4.320 0.000 0.000 0.242 108 A C 0.478 178.085 177.584 0.039 0.000 1.088 108 A CA -0.272 51.784 52.037 0.031 0.000 0.784 108 A CB 0.393 19.420 19.000 0.045 0.000 1.038 108 A HN 0.377 nan 8.150 nan 0.000 0.501 109 L N 0.610 121.861 121.223 0.046 0.000 2.543 109 L HA 0.111 4.451 4.340 0.000 0.000 0.285 109 L C 0.776 177.688 176.870 0.070 0.000 1.236 109 L CA 1.363 56.234 54.840 0.052 0.000 0.871 109 L CB -0.289 41.804 42.059 0.057 0.000 1.121 109 L HN 0.737 nan 8.230 nan 0.000 0.501 110 L N 1.455 122.713 121.223 0.058 0.000 4.950 110 L HA -0.216 4.124 4.340 0.000 0.000 0.413 110 L C 0.281 177.159 176.870 0.014 0.000 1.020 110 L CA 0.405 55.272 54.840 0.045 0.000 1.239 110 L CB -2.694 39.444 42.059 0.132 0.000 2.004 110 L HN 0.753 nan 8.230 nan 0.000 0.658 111 T N 1.014 115.578 114.554 0.018 0.000 2.851 111 T HA 0.189 4.539 4.350 0.000 0.000 0.298 111 T C 0.616 175.308 174.700 -0.014 0.000 0.977 111 T CA -0.015 62.088 62.100 0.005 0.000 1.126 111 T CB 1.118 69.987 68.868 0.003 0.000 0.916 111 T HN 0.160 nan 8.240 nan 0.000 0.529 112 N N 3.846 122.534 118.700 -0.019 0.000 2.521 112 N HA 0.147 4.887 4.740 0.000 0.000 0.236 112 N C -0.583 174.916 175.510 -0.018 0.000 1.067 112 N CA -0.341 52.699 53.050 -0.016 0.000 0.939 112 N CB 0.271 38.759 38.487 0.002 0.000 1.201 112 N HN 0.270 nan 8.380 nan 0.000 0.511 113 V N 3.280 123.182 119.914 -0.021 0.000 2.572 113 V HA 0.040 4.160 4.120 0.000 0.000 0.291 113 V C 0.796 176.871 176.094 -0.032 0.000 1.039 113 V CA -0.266 62.018 62.300 -0.027 0.000 1.055 113 V CB 0.631 32.440 31.823 -0.024 0.000 0.969 113 V HN 0.736 nan 8.190 nan 0.000 0.482 114 D N 3.412 123.790 120.400 -0.038 0.000 2.689 114 D HA -0.250 4.390 4.640 0.000 0.000 0.237 114 D C 1.314 177.590 176.300 -0.040 0.000 1.148 114 D CA 0.931 54.904 54.000 -0.044 0.000 0.656 114 D CB -0.601 40.173 40.800 -0.043 0.000 1.050 114 D HN 0.830 nan 8.370 nan 0.000 0.426 115 A N 0.675 123.480 122.820 -0.025 0.000 1.896 115 A HA -0.113 4.207 4.320 0.000 0.000 0.220 115 A C 2.554 180.171 177.584 0.054 0.000 1.206 115 A CA 3.251 55.307 52.037 0.032 0.000 0.647 115 A CB -1.062 17.968 19.000 0.050 0.000 0.828 115 A HN 0.977 nan 8.150 nan 0.000 0.455 116 A N -0.673 122.152 122.820 0.008 0.000 2.024 116 A HA -0.200 4.120 4.320 0.000 0.000 0.220 116 A C 1.843 179.382 177.584 -0.075 0.000 1.164 116 A CA 1.876 53.907 52.037 -0.010 0.000 0.643 116 A CB -0.590 18.364 19.000 -0.077 0.000 0.806 116 A HN 0.583 nan 8.150 nan 0.000 0.451 117 N N -0.614 118.037 118.700 -0.082 0.000 2.446 117 N HA -0.036 4.704 4.740 0.000 0.000 0.179 117 N C 1.468 176.896 175.510 -0.136 0.000 1.054 117 N CA 0.777 53.768 53.050 -0.099 0.000 0.905 117 N CB -0.305 38.137 38.487 -0.075 0.000 0.973 117 N HN 0.442 nan 8.380 nan 0.000 0.448 118 L N 2.820 123.948 121.223 -0.159 0.000 1.971 118 L HA -0.060 4.280 4.340 0.000 0.000 0.215 118 L C -0.895 175.821 176.870 -0.258 0.000 1.072 118 L CA 2.159 56.882 54.840 -0.194 0.000 0.758 118 L CB -1.497 40.450 42.059 -0.188 0.000 0.889 118 L HN 0.099 nan 8.230 nan 0.000 0.433 119 P HA -0.125 nan 4.420 nan 0.000 0.229 119 P C 0.054 177.203 177.300 -0.252 0.000 1.160 119 P CA 0.689 63.562 63.100 -0.377 0.000 0.777 119 P CB -0.127 31.201 31.700 -0.620 0.000 0.814 120 R N 1.737 122.107 120.500 -0.218 0.000 2.679 120 R HA 0.103 4.443 4.340 0.000 0.000 0.268 120 R C -1.341 174.842 176.300 -0.196 0.000 1.044 120 R CA -0.863 55.123 56.100 -0.190 0.000 1.105 120 R CB -0.273 29.941 30.300 -0.144 0.000 0.989 120 R HN 0.148 nan 8.270 nan 0.000 0.447 121 P HA 0.082 nan 4.420 nan 0.000 0.254 121 P C 0.067 177.042 177.300 -0.541 0.000 1.494 121 P CA 0.365 63.270 63.100 -0.324 0.000 0.961 121 P CB 0.264 31.782 31.700 -0.304 0.000 1.493 122 L N -0.003 120.971 121.223 -0.416 0.000 2.653 122 L HA 0.169 4.509 4.340 0.000 0.000 0.232 122 L C 0.780 177.566 176.870 -0.140 0.000 1.169 122 L CA -0.265 54.321 54.840 -0.423 0.000 0.951 122 L CB 0.022 41.959 42.059 -0.202 0.000 1.181 122 L HN -0.095 nan 8.230 nan 0.000 0.460 123 V N -5.280 114.562 119.914 -0.120 0.000 2.962 123 V HA 0.381 4.501 4.120 0.000 0.000 0.313 123 V C 0.617 176.903 176.094 0.319 0.000 1.099 123 V CA -1.039 61.372 62.300 0.186 0.000 0.971 123 V CB 2.216 34.115 31.823 0.127 0.000 1.028 123 V HN 0.024 nan 8.190 nan 0.000 0.430 124 K N 0.758 121.448 120.400 0.482 0.000 2.167 124 K HA 0.122 4.442 4.320 0.000 0.000 0.203 124 K C -0.241 176.607 176.600 0.412 0.000 1.052 124 K CA 1.526 58.087 56.287 0.457 0.000 0.956 124 K CB 0.212 32.918 32.500 0.344 0.000 0.735 124 K HN 0.751 nan 8.250 nan 0.000 0.451 125 W N -0.194 121.195 121.300 0.149 0.000 3.372 125 W HA 0.334 4.994 4.660 0.000 0.000 0.315 125 W C -1.651 174.960 176.519 0.152 0.000 1.223 125 W CA -0.599 56.815 57.345 0.115 0.000 1.202 125 W CB 1.865 31.370 29.460 0.076 0.000 1.367 125 W HN -0.355 nan 8.180 nan 0.000 0.531 126 S N 4.495 119.972 115.700 -0.372 0.000 2.547 126 S HA 0.789 5.259 4.470 0.000 0.000 0.281 126 S C -2.161 172.097 174.600 -0.569 0.000 1.118 126 S CA -0.333 57.700 58.200 -0.278 0.000 0.947 126 S CB 0.977 64.133 63.200 -0.073 0.000 1.053 126 S HN 0.549 nan 8.310 nan 0.000 0.482 127 Y N 1.728 121.637 120.300 -0.652 0.000 2.620 127 Y HA 0.495 5.045 4.550 0.000 0.000 0.331 127 Y C -1.619 174.075 175.900 -0.344 0.000 1.173 127 Y CA -0.657 57.066 58.100 -0.628 0.000 1.076 127 Y CB 1.420 39.174 38.460 -1.177 0.000 1.336 127 Y HN 0.694 nan 8.280 nan 0.000 0.459 128 E N 5.667 125.364 120.200 -0.839 0.000 2.260 128 E HA 0.493 4.843 4.350 0.000 0.000 0.266 128 E C -2.900 173.172 176.600 -0.881 0.000 0.887 128 E CA -2.459 53.578 56.400 -0.604 0.000 0.777 128 E CB 1.959 31.440 29.700 -0.366 0.000 1.205 128 E HN 0.311 nan 8.360 nan 0.000 0.414 129 P HA 0.057 nan 4.420 nan 0.000 0.269 129 P C -0.247 176.925 177.300 -0.212 0.000 1.209 129 P CA 0.101 63.052 63.100 -0.249 0.000 0.776 129 P CB 1.035 32.709 31.700 -0.043 0.000 0.876 130 A N 1.562 124.322 122.820 -0.101 0.000 2.208 130 A HA 0.227 4.547 4.320 0.000 0.000 0.209 130 A C 0.635 178.187 177.584 -0.054 0.000 1.161 130 A CA 1.090 53.083 52.037 -0.073 0.000 0.782 130 A CB -0.529 18.463 19.000 -0.014 0.000 0.816 130 A HN 0.625 nan 8.150 nan 0.000 0.477 131 S N -4.062 111.611 115.700 -0.046 0.000 2.587 131 S HA 0.606 5.076 4.470 0.000 0.000 0.269 131 S C 0.619 175.181 174.600 -0.063 0.000 1.154 131 S CA -0.043 58.128 58.200 -0.048 0.000 0.824 131 S CB 1.003 64.190 63.200 -0.021 0.000 1.118 131 S HN 0.950 nan 8.310 nan 0.000 0.462 132 A N 1.392 124.166 122.820 -0.077 0.000 1.902 132 A HA 0.273 4.593 4.320 0.000 0.000 0.217 132 A C 2.272 179.821 177.584 -0.059 0.000 1.181 132 A CA 1.990 53.965 52.037 -0.103 0.000 0.623 132 A CB -1.554 17.393 19.000 -0.088 0.000 0.818 132 A HN 1.737 nan 8.150 nan 0.000 0.443 133 A N -0.639 122.171 122.820 -0.017 0.000 2.070 133 A HA -0.141 4.179 4.320 0.000 0.000 0.220 133 A C 1.920 179.523 177.584 0.032 0.000 1.159 133 A CA 1.609 53.653 52.037 0.012 0.000 0.656 133 A CB -0.427 18.582 19.000 0.015 0.000 0.800 133 A HN 0.687 nan 8.150 nan 0.000 0.453 134 E N -0.113 120.110 120.200 0.038 0.000 2.371 134 E HA -0.032 4.318 4.350 0.000 0.000 0.194 134 E C 1.590 178.265 176.600 0.125 0.000 1.012 134 E CA 0.656 57.120 56.400 0.107 0.000 0.860 134 E CB -0.068 29.715 29.700 0.138 0.000 0.811 134 E HN 0.341 nan 8.360 nan 0.000 0.502 135 V N 1.808 121.737 119.914 0.026 0.000 2.250 135 V HA -0.247 3.873 4.120 0.000 0.000 0.250 135 V C -0.690 175.448 176.094 0.074 0.000 1.060 135 V CA 2.379 64.670 62.300 -0.016 0.000 1.030 135 V CB -1.431 30.250 31.823 -0.236 0.000 0.643 135 V HN 0.317 nan 8.190 nan 0.000 0.445 136 P HA -0.178 nan 4.420 nan 0.000 0.215 136 P C 1.732 179.132 177.300 0.166 0.000 1.153 136 P CA 1.612 64.805 63.100 0.155 0.000 0.853 136 P CB -0.217 31.580 31.700 0.162 0.000 0.788 137 H N -0.204 118.912 119.070 0.076 0.000 2.353 137 H HA -0.082 4.474 4.556 0.000 0.000 0.300 137 H C 1.724 177.107 175.328 0.092 0.000 1.090 137 H CA 1.609 57.696 56.048 0.064 0.000 1.327 137 H CB -0.185 29.604 29.762 0.045 0.000 1.383 137 H HN -0.025 nan 8.280 nan 0.000 0.508 138 A N 0.944 123.814 122.820 0.084 0.000 1.933 138 A HA -0.176 4.144 4.320 0.000 0.000 0.218 138 A C 2.433 180.113 177.584 0.160 0.000 1.175 138 A CA 1.623 53.761 52.037 0.167 0.000 0.628 138 A CB -0.621 18.604 19.000 0.376 0.000 0.814 138 A HN 0.477 nan 8.150 nan 0.000 0.444 139 M N -0.194 119.489 119.600 0.138 0.000 2.117 139 M HA -0.075 4.405 4.480 0.000 0.000 0.262 139 M C 2.276 178.614 176.300 0.064 0.000 1.065 139 M CA 2.044 57.435 55.300 0.151 0.000 1.114 139 M CB -0.614 32.091 32.600 0.175 0.000 1.361 139 M HN 0.381 nan 8.290 nan 0.000 0.408 140 S N -0.170 115.536 115.700 0.011 0.000 2.359 140 S HA -0.180 4.291 4.470 0.000 0.000 0.224 140 S C 2.059 176.579 174.600 -0.134 0.000 1.035 140 S CA 1.666 59.844 58.200 -0.037 0.000 1.018 140 S CB -0.195 63.028 63.200 0.038 0.000 0.876 140 S HN 0.612 nan 8.310 nan 0.000 0.448 141 R N 0.695 121.032 120.500 -0.272 0.000 2.091 141 R HA -0.050 4.290 4.340 0.000 0.000 0.238 141 R C 2.661 178.664 176.300 -0.495 0.000 1.136 141 R CA 1.378 57.172 56.100 -0.509 0.000 0.959 141 R CB -0.652 29.104 30.300 -0.906 0.000 0.856 141 R HN 0.507 nan 8.270 nan 0.000 0.437 142 A N 1.309 123.998 122.820 -0.218 0.000 1.877 142 A HA -0.166 4.154 4.320 0.000 0.000 0.216 142 A C 2.180 179.761 177.584 -0.005 0.000 1.186 142 A CA 1.344 53.416 52.037 0.058 0.000 0.620 142 A CB -0.544 18.628 19.000 0.286 0.000 0.822 142 A HN 0.189 nan 8.150 nan 0.000 0.443 143 I N -1.045 119.482 120.570 -0.072 0.000 2.127 143 I HA -0.288 3.882 4.170 0.000 0.000 0.241 143 I C 2.519 178.506 176.117 -0.216 0.000 1.075 143 I CA 1.530 62.745 61.300 -0.141 0.000 1.334 143 I CB -0.575 37.271 38.000 -0.257 0.000 1.040 143 I HN 0.408 nan 8.210 nan 0.000 0.405 144 H N -0.134 118.900 119.070 -0.061 0.000 2.357 144 H HA -0.061 4.495 4.556 0.000 0.000 0.301 144 H C 2.344 177.606 175.328 -0.111 0.000 1.082 144 H CA 1.197 57.189 56.048 -0.094 0.000 1.342 144 H CB -0.214 29.468 29.762 -0.133 0.000 1.389 144 H HN 0.250 nan 8.280 nan 0.000 0.511 145 M N 0.368 119.925 119.600 -0.072 0.000 2.159 145 M HA -0.057 4.423 4.480 0.000 0.000 0.263 145 M C 2.517 178.824 176.300 0.011 0.000 1.063 145 M CA 1.032 56.283 55.300 -0.081 0.000 1.110 145 M CB -0.975 31.518 32.600 -0.179 0.000 1.374 145 M HN 0.223 nan 8.290 nan 0.000 0.411 146 A N -0.725 122.117 122.820 0.037 0.000 1.930 146 A HA -0.067 4.253 4.320 0.000 0.000 0.217 146 A C 2.393 180.001 177.584 0.041 0.000 1.175 146 A CA 1.875 53.951 52.037 0.066 0.000 0.627 146 A CB -0.547 18.507 19.000 0.090 0.000 0.815 146 A HN 0.499 nan 8.150 nan 0.000 0.443 147 S N -0.573 115.144 115.700 0.029 0.000 2.446 147 S HA 0.187 4.657 4.470 0.000 0.000 0.225 147 S C 0.873 175.475 174.600 0.004 0.000 1.016 147 S CA 0.146 58.361 58.200 0.026 0.000 0.943 147 S CB -0.211 63.014 63.200 0.042 0.000 0.786 147 S HN 0.534 nan 8.310 nan 0.000 0.508 148 M N 1.807 121.403 119.600 -0.007 0.000 2.243 148 M HA 0.307 4.787 4.480 0.000 0.000 0.341 148 M C 0.285 176.548 176.300 -0.061 0.000 1.130 148 M CA -0.403 54.874 55.300 -0.037 0.000 1.162 148 M CB 0.443 33.015 32.600 -0.047 0.000 1.497 148 M HN 0.150 nan 8.290 nan 0.000 0.456 149 A N 4.795 127.567 122.820 -0.079 0.000 2.440 149 A HA 0.441 4.761 4.320 0.000 0.000 0.251 149 A C -2.239 175.268 177.584 -0.129 0.000 1.089 149 A CA -1.129 50.833 52.037 -0.124 0.000 0.779 149 A CB -0.648 18.282 19.000 -0.117 0.000 1.022 149 A HN 0.520 nan 8.150 nan 0.000 0.492 150 P HA 0.173 nan 4.420 nan 0.000 0.287 150 P C -0.649 176.506 177.300 -0.241 0.000 1.281 150 P CA -0.236 62.654 63.100 -0.349 0.000 0.781 150 P CB 0.764 32.173 31.700 -0.485 0.000 0.903 151 Q N 1.152 120.834 119.800 -0.196 0.000 2.432 151 Q HA 0.481 4.821 4.340 0.000 0.000 0.264 151 Q C 0.683 176.671 176.000 -0.021 0.000 1.035 151 Q CA 0.502 56.268 55.803 -0.063 0.000 0.908 151 Q CB 0.410 29.139 28.738 -0.016 0.000 1.280 151 Q HN 0.741 nan 8.270 nan 0.000 0.455 152 G N 1.310 110.124 108.800 0.024 0.000 2.451 152 G HA2 0.334 4.294 3.960 0.000 0.000 0.292 152 G HA3 0.334 4.294 3.960 0.000 0.000 0.292 152 G C -3.087 171.894 174.900 0.134 0.000 1.427 152 G CA -0.910 44.218 45.100 0.046 0.000 0.792 152 G HN 0.373 nan 8.290 nan 0.000 0.498 153 P HA 0.457 nan 4.420 nan 0.000 0.275 153 P C -0.021 177.434 177.300 0.259 0.000 1.228 153 P CA -0.157 63.069 63.100 0.210 0.000 0.786 153 P CB 1.667 33.490 31.700 0.206 0.000 0.927 154 V N 0.579 120.641 119.914 0.247 0.000 3.074 154 V HA 0.671 4.791 4.120 0.000 0.000 0.314 154 V C -1.508 174.774 176.094 0.315 0.000 1.117 154 V CA -1.086 61.407 62.300 0.321 0.000 1.014 154 V CB 2.197 34.250 31.823 0.383 0.000 1.057 154 V HN 0.517 nan 8.190 nan 0.000 0.438 155 Y N 2.281 122.655 120.300 0.123 0.000 2.421 155 Y HA 0.830 5.380 4.550 0.000 0.000 0.339 155 Y C -1.427 174.458 175.900 -0.024 0.000 0.996 155 Y CA -1.157 56.957 58.100 0.023 0.000 1.046 155 Y CB 2.087 40.531 38.460 -0.027 0.000 1.226 155 Y HN 0.916 nan 8.280 nan 0.000 0.445 156 L N 5.132 126.068 121.223 -0.479 0.000 2.439 156 L HA 0.623 4.963 4.340 0.000 0.000 0.270 156 L C -1.204 175.304 176.870 -0.603 0.000 0.972 156 L CA -0.219 54.393 54.840 -0.380 0.000 0.836 156 L CB 2.031 44.049 42.059 -0.068 0.000 1.255 156 L HN 0.576 nan 8.230 nan 0.000 0.404 157 S N 4.140 119.552 115.700 -0.479 0.000 2.451 157 S HA 0.848 5.318 4.470 0.000 0.000 0.301 157 S C -1.107 173.368 174.600 -0.208 0.000 1.116 157 S CA -0.439 57.551 58.200 -0.350 0.000 1.093 157 S CB 0.984 64.044 63.200 -0.233 0.000 1.017 157 S HN 0.461 nan 8.310 nan 0.000 0.482 158 V N 7.363 127.203 119.914 -0.124 0.000 2.482 158 V HA 0.422 4.542 4.120 0.000 0.000 0.295 158 V C -2.480 173.582 176.094 -0.054 0.000 1.026 158 V CA -2.006 60.214 62.300 -0.133 0.000 0.856 158 V CB 1.616 33.347 31.823 -0.154 0.000 1.001 158 V HN 0.724 nan 8.190 nan 0.000 0.424 159 P HA 0.014 nan 4.420 nan 0.000 0.264 159 P C 0.341 177.629 177.300 -0.019 0.000 1.193 159 P CA 0.053 63.099 63.100 -0.090 0.000 0.763 159 P CB 0.218 31.816 31.700 -0.170 0.000 0.810 160 Y N 3.220 123.595 120.300 0.124 0.000 2.403 160 Y HA -0.192 4.358 4.550 0.000 0.000 0.291 160 Y C 1.420 177.469 175.900 0.248 0.000 1.143 160 Y CA 1.458 59.733 58.100 0.292 0.000 1.257 160 Y CB -1.283 37.348 38.460 0.284 0.000 0.984 160 Y HN 0.298 nan 8.280 nan 0.000 0.550 161 D N -0.588 119.762 120.400 -0.082 0.000 2.363 161 D HA -0.138 4.502 4.640 0.000 0.000 0.220 161 D C 0.765 177.068 176.300 0.004 0.000 0.994 161 D CA 0.792 54.789 54.000 -0.005 0.000 0.890 161 D CB -0.369 40.323 40.800 -0.180 0.000 0.906 161 D HN 0.372 nan 8.370 nan 0.000 0.530 162 D N 0.603 120.926 120.400 -0.128 0.000 2.183 162 D HA -0.097 4.543 4.640 0.000 0.000 0.203 162 D C 1.661 177.879 176.300 -0.137 0.000 0.969 162 D CA 0.620 54.485 54.000 -0.226 0.000 0.842 162 D CB -0.576 39.947 40.800 -0.461 0.000 0.957 162 D HN 0.419 nan 8.370 nan 0.000 0.484 163 W N 1.515 122.916 121.300 0.170 0.000 2.325 163 W HA -0.128 4.532 4.660 0.000 0.000 0.299 163 W C 1.631 178.270 176.519 0.200 0.000 1.215 163 W CA 0.621 58.103 57.345 0.230 0.000 1.244 163 W CB -0.181 29.474 29.460 0.325 0.000 1.140 163 W HN -0.086 nan 8.180 nan 0.000 0.523 164 D N -0.195 120.409 120.400 0.340 0.000 2.349 164 D HA -0.024 4.617 4.640 0.000 0.000 0.215 164 D C 0.894 177.285 176.300 0.153 0.000 1.016 164 D CA 0.717 54.851 54.000 0.223 0.000 0.870 164 D CB -0.186 40.719 40.800 0.174 0.000 0.917 164 D HN -0.009 nan 8.370 nan 0.000 0.524 165 K N 1.296 121.771 120.400 0.125 0.000 2.120 165 K HA 0.125 4.445 4.320 0.000 0.000 0.245 165 K C 0.228 176.883 176.600 0.091 0.000 1.024 165 K CA -0.356 55.978 56.287 0.079 0.000 0.906 165 K CB 0.633 33.154 32.500 0.036 0.000 1.051 165 K HN -0.072 nan 8.250 nan 0.000 0.491 166 D N 0.412 120.854 120.400 0.070 0.000 2.345 166 D HA 0.209 4.849 4.640 0.000 0.000 0.247 166 D C -0.110 176.234 176.300 0.072 0.000 1.108 166 D CA 0.070 54.116 54.000 0.075 0.000 0.894 166 D CB 1.013 41.848 40.800 0.058 0.000 1.203 166 D HN 0.452 nan 8.370 nan 0.000 0.430 167 A N 1.632 124.507 122.820 0.090 0.000 2.279 167 A HA 0.232 4.552 4.320 0.000 0.000 0.303 167 A C 0.078 177.702 177.584 0.067 0.000 1.108 167 A CA -0.645 51.444 52.037 0.085 0.000 0.830 167 A CB 0.686 19.759 19.000 0.121 0.000 1.106 167 A HN 0.473 nan 8.150 nan 0.000 0.493 168 D N 1.022 121.452 120.400 0.050 0.000 2.450 168 D HA 0.185 4.825 4.640 0.000 0.000 0.247 168 D C -1.617 174.710 176.300 0.046 0.000 1.162 168 D CA -1.413 52.609 54.000 0.036 0.000 0.879 168 D CB 0.923 41.733 40.800 0.015 0.000 1.163 168 D HN 0.104 nan 8.370 nan 0.000 0.472 169 P HA -0.102 nan 4.420 nan 0.000 0.222 169 P C 0.898 178.268 177.300 0.117 0.000 1.147 169 P CA 0.736 63.887 63.100 0.086 0.000 0.790 169 P CB 0.246 31.993 31.700 0.079 0.000 0.780 170 Q N -0.922 118.914 119.800 0.060 0.000 2.482 170 Q HA 0.068 4.408 4.340 0.000 0.000 0.209 170 Q C 1.777 177.690 176.000 -0.145 0.000 0.961 170 Q CA 0.620 56.429 55.803 0.010 0.000 0.945 170 Q CB -0.624 28.144 28.738 0.050 0.000 1.012 170 Q HN 0.247 nan 8.270 nan 0.000 0.515 171 S N 0.499 116.127 115.700 -0.120 0.000 2.469 171 S HA -0.132 4.338 4.470 0.000 0.000 0.238 171 S C 1.574 175.846 174.600 -0.547 0.000 0.998 171 S CA 0.805 58.885 58.200 -0.200 0.000 0.957 171 S CB -0.340 62.813 63.200 -0.077 0.000 0.764 171 S HN 0.615 nan 8.310 nan 0.000 0.514 172 H N 0.331 119.052 119.070 -0.582 0.000 2.489 172 H HA -0.075 4.481 4.556 0.000 0.000 0.295 172 H C 1.380 176.293 175.328 -0.693 0.000 1.082 172 H CA 1.373 56.849 56.048 -0.953 0.000 1.295 172 H CB -0.629 28.869 29.762 -0.439 0.000 1.380 172 H HN 0.501 nan 8.280 nan 0.000 0.548 173 H N 0.974 119.568 119.070 -0.794 0.000 2.491 173 H HA 0.007 4.563 4.556 0.000 0.000 0.290 173 H C 2.416 177.623 175.328 -0.203 0.000 1.050 173 H CA 1.026 56.815 56.048 -0.432 0.000 1.309 173 H CB 0.310 29.835 29.762 -0.396 0.000 1.392 173 H HN 0.410 nan 8.280 nan 0.000 0.554 174 L N -0.526 120.610 121.223 -0.144 0.000 2.240 174 L HA -0.088 4.252 4.340 0.000 0.000 0.211 174 L C 2.146 179.128 176.870 0.187 0.000 1.106 174 L CA 0.156 55.015 54.840 0.031 0.000 0.793 174 L CB -0.433 41.654 42.059 0.046 0.000 0.927 174 L HN 0.032 nan 8.230 nan 0.000 0.446 175 F N 0.891 120.911 119.950 0.118 0.000 2.063 175 F HA -0.268 4.259 4.527 0.000 0.000 0.298 175 F C 1.843 177.714 175.800 0.119 0.000 1.109 175 F CA 1.146 59.214 58.000 0.114 0.000 1.212 175 F CB -0.755 38.308 39.000 0.106 0.000 0.973 175 F HN 0.177 nan 8.300 nan 0.000 0.480 176 D N -0.289 120.300 120.400 0.315 0.000 2.463 176 D HA 0.064 4.704 4.640 0.000 0.000 0.224 176 D C 0.362 176.781 176.300 0.198 0.000 1.174 176 D CA -0.062 54.073 54.000 0.226 0.000 0.829 176 D CB -0.028 40.883 40.800 0.184 0.000 0.993 176 D HN 0.139 nan 8.370 nan 0.000 0.497 177 R N 1.043 121.666 120.500 0.205 0.000 2.570 177 R HA 0.080 4.420 4.340 0.000 0.000 0.277 177 R C 0.410 176.816 176.300 0.176 0.000 1.039 177 R CA 0.313 56.499 56.100 0.143 0.000 1.065 177 R CB 0.685 31.039 30.300 0.090 0.000 0.964 177 R HN 0.221 nan 8.270 nan 0.000 0.428 178 H N 2.733 121.808 119.070 0.008 0.000 2.589 178 H HA 0.327 4.883 4.556 0.000 0.000 0.335 178 H C -1.397 173.886 175.328 -0.074 0.000 1.019 178 H CA -0.705 55.349 56.048 0.011 0.000 1.213 178 H CB 1.250 31.027 29.762 0.024 0.000 1.472 178 H HN 0.208 nan 8.280 nan 0.000 0.508 179 V N 4.199 123.758 119.914 -0.590 0.000 2.540 179 V HA 0.260 4.380 4.120 0.000 0.000 0.302 179 V C -0.027 175.755 176.094 -0.521 0.000 1.035 179 V CA -0.622 61.385 62.300 -0.489 0.000 0.873 179 V CB 1.590 33.152 31.823 -0.435 0.000 0.992 179 V HN 0.770 nan 8.190 nan 0.000 0.428 180 S N 2.498 117.990 115.700 -0.348 0.000 2.526 180 S HA 0.634 5.104 4.470 0.000 0.000 0.293 180 S C 0.261 174.797 174.600 -0.108 0.000 1.092 180 S CA 0.106 58.181 58.200 -0.207 0.000 0.980 180 S CB 1.908 65.052 63.200 -0.094 0.000 1.048 180 S HN 1.001 nan 8.310 nan 0.000 0.483 181 S N 1.948 117.603 115.700 -0.073 0.000 2.941 181 S HA 0.221 4.691 4.470 0.000 0.000 0.251 181 S C 0.111 174.689 174.600 -0.038 0.000 1.029 181 S CA -0.385 57.781 58.200 -0.057 0.000 1.062 181 S CB 0.262 63.424 63.200 -0.063 0.000 0.977 181 S HN 0.537 nan 8.310 nan 0.000 0.552 182 S N 2.702 118.389 115.700 -0.022 0.000 3.919 182 S HA 0.467 4.937 4.470 0.000 0.000 0.245 182 S C 0.210 174.806 174.600 -0.007 0.000 1.344 182 S CA -0.320 57.876 58.200 -0.007 0.000 0.896 182 S CB -1.088 62.121 63.200 0.014 0.000 1.557 182 S HN 0.711 nan 8.310 nan 0.000 0.468 183 V N 2.772 122.676 119.914 -0.016 0.000 2.960 183 V HA 0.981 5.101 4.120 0.000 0.000 0.315 183 V C -0.666 175.419 176.094 -0.014 0.000 1.087 183 V CA -1.390 60.901 62.300 -0.015 0.000 0.982 183 V CB 1.849 33.659 31.823 -0.021 0.000 1.039 183 V HN 0.754 nan 8.190 nan 0.000 0.437 184 R N 1.984 122.477 120.500 -0.011 0.000 2.799 184 R HA 0.761 5.101 4.340 0.000 0.000 0.270 184 R C -1.041 175.253 176.300 -0.010 0.000 1.010 184 R CA -0.989 55.104 56.100 -0.010 0.000 0.916 184 R CB 0.812 31.109 30.300 -0.006 0.000 1.228 184 R HN 0.789 nan 8.270 nan 0.000 0.469 185 L N 2.212 123.429 121.223 -0.010 0.000 2.559 185 L HA 0.110 4.450 4.340 0.000 0.000 0.282 185 L C -0.403 176.463 176.870 -0.007 0.000 1.232 185 L CA 0.595 55.429 54.840 -0.010 0.000 0.885 185 L CB -0.187 41.866 42.059 -0.009 0.000 1.131 185 L HN 0.928 nan 8.230 nan 0.000 0.498 186 N N 1.978 120.674 118.700 -0.007 0.000 2.374 186 N HA -0.050 4.690 4.740 0.000 0.000 0.241 186 N C 0.462 175.970 175.510 -0.004 0.000 1.262 186 N CA 0.083 53.129 53.050 -0.005 0.000 0.880 186 N CB 0.240 38.723 38.487 -0.006 0.000 1.105 186 N HN 0.589 nan 8.380 nan 0.000 0.438 187 D N 0.003 120.402 120.400 -0.003 0.000 2.133 187 D HA -0.279 4.361 4.640 0.000 0.000 0.192 187 D C 1.534 177.833 176.300 -0.001 0.000 1.001 187 D CA 1.583 55.582 54.000 -0.001 0.000 0.844 187 D CB -0.377 40.423 40.800 -0.001 0.000 0.944 187 D HN 0.823 nan 8.370 nan 0.000 0.447 188 Q N 0.213 120.012 119.800 -0.002 0.000 2.030 188 Q HA -0.174 4.166 4.340 0.000 0.000 0.204 188 Q C 1.338 177.337 176.000 -0.002 0.000 0.986 188 Q CA 1.658 57.460 55.803 -0.001 0.000 0.843 188 Q CB 0.117 28.853 28.738 -0.002 0.000 0.904 188 Q HN 0.162 nan 8.270 nan 0.000 0.420 189 D N 0.220 120.619 120.400 -0.003 0.000 2.183 189 D HA -0.120 4.520 4.640 0.000 0.000 0.203 189 D C 1.853 178.152 176.300 -0.003 0.000 0.969 189 D CA 0.458 54.456 54.000 -0.003 0.000 0.842 189 D CB -0.063 40.734 40.800 -0.005 0.000 0.957 189 D HN 0.223 nan 8.370 nan 0.000 0.484 190 L N 1.210 122.432 121.223 -0.002 0.000 2.093 190 L HA -0.118 4.222 4.340 0.000 0.000 0.208 190 L C 1.299 178.169 176.870 0.001 0.000 1.085 190 L CA 1.742 56.582 54.840 -0.001 0.000 0.755 190 L CB -0.409 41.650 42.059 -0.001 0.000 0.904 190 L HN -0.204 nan 8.230 nan 0.000 0.435 191 D N -0.391 120.010 120.400 0.001 0.000 2.144 191 D HA -0.166 4.474 4.640 0.000 0.000 0.199 191 D C 2.335 178.637 176.300 0.003 0.000 0.984 191 D CA 1.543 55.544 54.000 0.002 0.000 0.834 191 D CB -0.071 40.730 40.800 0.002 0.000 0.955 191 D HN 0.415 nan 8.370 nan 0.000 0.465 192 I N 0.228 120.799 120.570 0.002 0.000 2.202 192 I HA -0.224 3.946 4.170 0.000 0.000 0.242 192 I C 2.299 178.418 176.117 0.003 0.000 1.091 192 I CA 0.470 61.771 61.300 0.002 0.000 1.368 192 I CB -0.114 37.886 38.000 0.000 0.000 1.058 192 I HN 0.024 nan 8.210 nan 0.000 0.410 193 L N 0.620 121.844 121.223 0.002 0.000 2.017 193 L HA -0.160 4.180 4.340 0.000 0.000 0.208 193 L C 2.393 179.266 176.870 0.005 0.000 1.073 193 L CA 1.814 56.655 54.840 0.002 0.000 0.745 193 L CB -0.540 41.519 42.059 0.000 0.000 0.894 193 L HN -0.030 nan 8.230 nan 0.000 0.432 194 V N -0.134 119.784 119.914 0.006 0.000 2.332 194 V HA -0.325 3.795 4.120 0.000 0.000 0.248 194 V C 2.617 178.717 176.094 0.009 0.000 1.055 194 V CA 2.194 64.499 62.300 0.008 0.000 1.038 194 V CB -0.762 31.065 31.823 0.008 0.000 0.651 194 V HN 0.482 nan 8.190 nan 0.000 0.450 195 K N 0.199 120.604 120.400 0.008 0.000 2.057 195 K HA -0.109 4.211 4.320 0.000 0.000 0.207 195 K C 2.315 178.922 176.600 0.010 0.000 1.049 195 K CA 1.426 57.719 56.287 0.009 0.000 0.931 195 K CB -0.419 32.085 32.500 0.007 0.000 0.714 195 K HN 0.481 nan 8.250 nan 0.000 0.440 196 A N 1.348 124.174 122.820 0.010 0.000 1.933 196 A HA -0.126 4.194 4.320 0.000 0.000 0.218 196 A C 2.093 179.686 177.584 0.015 0.000 1.175 196 A CA 1.242 53.285 52.037 0.011 0.000 0.628 196 A CB -0.565 18.441 19.000 0.010 0.000 0.814 196 A HN 0.148 nan 8.150 nan 0.000 0.444 197 L N -0.467 120.765 121.223 0.014 0.000 2.072 197 L HA -0.153 4.187 4.340 0.000 0.000 0.205 197 L C 2.146 179.028 176.870 0.020 0.000 1.079 197 L CA 1.083 55.933 54.840 0.017 0.000 0.752 197 L CB -0.647 41.421 42.059 0.015 0.000 0.906 197 L HN 0.329 nan 8.230 nan 0.000 0.436 198 N N -0.352 118.358 118.700 0.017 0.000 2.309 198 N HA -0.117 4.623 4.740 0.000 0.000 0.182 198 N C 1.887 177.408 175.510 0.018 0.000 1.018 198 N CA 1.238 54.298 53.050 0.017 0.000 0.876 198 N CB -0.100 38.395 38.487 0.015 0.000 0.972 198 N HN 0.181 nan 8.380 nan 0.000 0.434 199 S N 0.118 115.828 115.700 0.017 0.000 2.501 199 S HA 0.221 4.691 4.470 0.000 0.000 0.220 199 S C 0.892 175.504 174.600 0.021 0.000 0.997 199 S CA -0.251 57.959 58.200 0.017 0.000 0.919 199 S CB 0.112 63.321 63.200 0.014 0.000 0.778 199 S HN 0.417 nan 8.310 nan 0.000 0.523 200 A N 1.945 124.781 122.820 0.026 0.000 2.498 200 A HA 0.327 4.647 4.320 0.000 0.000 0.239 200 A C 1.354 178.959 177.584 0.036 0.000 1.068 200 A CA 0.175 52.232 52.037 0.033 0.000 0.766 200 A CB 0.197 19.221 19.000 0.040 0.000 1.003 200 A HN 0.406 nan 8.150 nan 0.000 0.497 201 S N 0.797 116.520 115.700 0.037 0.000 2.470 201 S HA 0.055 4.525 4.470 0.000 0.000 0.222 201 S C 0.620 175.248 174.600 0.047 0.000 1.024 201 S CA 0.710 58.930 58.200 0.034 0.000 0.931 201 S CB -0.067 63.147 63.200 0.022 0.000 0.791 201 S HN 0.770 nan 8.310 nan 0.000 0.513 202 N N 2.159 120.903 118.700 0.073 0.000 2.697 202 N HA 0.374 5.114 4.740 0.000 0.000 0.253 202 N C -3.247 172.412 175.510 0.248 0.000 1.604 202 N CA -1.667 51.458 53.050 0.125 0.000 0.772 202 N CB 1.435 39.953 38.487 0.051 0.000 1.267 202 N HN 0.163 nan 8.380 nan 0.000 0.510 203 P HA 0.374 nan 4.420 nan 0.000 0.274 203 P C -1.048 176.259 177.300 0.010 0.000 1.237 203 P CA -0.352 62.807 63.100 0.098 0.000 0.793 203 P CB 1.656 33.385 31.700 0.048 0.000 0.977 204 A N 2.632 125.371 122.820 -0.135 0.000 2.435 204 A HA 0.753 5.073 4.320 0.000 0.000 0.304 204 A C -0.755 176.755 177.584 -0.123 0.000 1.064 204 A CA -0.844 51.017 52.037 -0.292 0.000 0.727 204 A CB 1.115 19.698 19.000 -0.695 0.000 1.284 204 A HN 0.450 nan 8.150 nan 0.000 0.415 205 I N 1.481 121.990 120.570 -0.101 0.000 2.465 205 I HA 0.490 4.660 4.170 0.000 0.000 0.291 205 I C -0.962 175.129 176.117 -0.043 0.000 1.014 205 I CA -0.952 60.306 61.300 -0.070 0.000 1.093 205 I CB 2.126 40.064 38.000 -0.103 0.000 1.267 205 I HN 0.311 nan 8.210 nan 0.000 0.431 206 V N 7.098 127.014 119.914 0.004 0.000 2.487 206 V HA 0.489 4.609 4.120 0.000 0.000 0.298 206 V C -0.179 175.937 176.094 0.036 0.000 1.028 206 V CA -0.511 61.813 62.300 0.039 0.000 0.860 206 V CB 1.879 33.763 31.823 0.100 0.000 0.991 206 V HN 0.470 nan 8.190 nan 0.000 0.427 207 L N 3.905 125.142 121.223 0.023 0.000 2.334 207 L HA 0.899 5.239 4.340 0.000 0.000 0.276 207 L C 0.698 177.610 176.870 0.070 0.000 1.014 207 L CA -0.337 54.533 54.840 0.050 0.000 0.815 207 L CB 2.000 44.096 42.059 0.063 0.000 1.268 207 L HN 0.750 nan 8.230 nan 0.000 0.428 208 G N 0.604 109.452 108.800 0.080 0.000 2.932 208 G HA2 0.522 4.482 3.960 0.000 0.000 0.283 208 G HA3 0.522 4.482 3.960 0.000 0.000 0.283 208 G C -2.122 172.841 174.900 0.105 0.000 1.336 208 G CA -0.924 44.228 45.100 0.087 0.000 1.056 208 G HN 0.414 nan 8.290 nan 0.000 0.522 209 P HA -0.064 nan 4.420 nan 0.000 0.220 209 P C 0.584 177.956 177.300 0.119 0.000 1.148 209 P CA 0.987 64.163 63.100 0.126 0.000 0.803 209 P CB 0.290 32.064 31.700 0.124 0.000 0.782 210 D N -0.298 120.171 120.400 0.115 0.000 2.309 210 D HA -0.068 4.572 4.640 0.000 0.000 0.212 210 D C 2.004 178.347 176.300 0.071 0.000 0.968 210 D CA 0.625 54.684 54.000 0.099 0.000 0.882 210 D CB -0.262 40.589 40.800 0.085 0.000 0.918 210 D HN 0.084 nan 8.370 nan 0.000 0.503 211 V N 0.941 120.902 119.914 0.078 0.000 2.323 211 V HA -0.214 3.906 4.120 0.000 0.000 0.244 211 V C 2.157 178.294 176.094 0.071 0.000 1.041 211 V CA 1.726 64.069 62.300 0.072 0.000 1.025 211 V CB -0.305 31.572 31.823 0.091 0.000 0.656 211 V HN 0.054 nan 8.190 nan 0.000 0.451 212 D N 0.073 120.523 120.400 0.083 0.000 2.144 212 D HA -0.099 4.541 4.640 0.000 0.000 0.200 212 D C 2.109 178.454 176.300 0.076 0.000 0.978 212 D CA 1.312 55.355 54.000 0.072 0.000 0.833 212 D CB -0.106 40.734 40.800 0.067 0.000 0.961 212 D HN 0.354 nan 8.370 nan 0.000 0.470 213 A N 0.296 123.170 122.820 0.090 0.000 1.933 213 A HA 0.030 4.350 4.320 0.000 0.000 0.218 213 A C 2.225 179.844 177.584 0.058 0.000 1.175 213 A CA 1.935 54.026 52.037 0.089 0.000 0.628 213 A CB -0.757 18.301 19.000 0.096 0.000 0.814 213 A HN 0.298 nan 8.150 nan 0.000 0.444 214 A N -1.473 121.375 122.820 0.046 0.000 2.251 214 A HA 0.248 4.568 4.320 0.000 0.000 0.209 214 A C 0.951 178.552 177.584 0.028 0.000 1.187 214 A CA 0.842 52.897 52.037 0.030 0.000 0.823 214 A CB -0.476 18.537 19.000 0.021 0.000 0.846 214 A HN 0.740 nan 8.150 nan 0.000 0.486 215 N N -2.233 116.487 118.700 0.033 0.000 2.740 215 N HA -0.215 4.525 4.740 0.000 0.000 0.248 215 N C 0.393 175.914 175.510 0.017 0.000 1.062 215 N CA 1.019 54.083 53.050 0.023 0.000 0.704 215 N CB -1.428 37.068 38.487 0.016 0.000 0.968 215 N HN 0.568 nan 8.380 nan 0.000 0.547 216 A N -0.762 122.074 122.820 0.026 0.000 2.379 216 A HA 0.231 4.551 4.320 0.000 0.000 0.236 216 A C 1.631 179.233 177.584 0.030 0.000 1.272 216 A CA 0.416 52.469 52.037 0.026 0.000 0.886 216 A CB -0.067 18.952 19.000 0.032 0.000 0.962 216 A HN 0.505 nan 8.150 nan 0.000 0.504 217 N N 1.751 120.462 118.700 0.020 0.000 2.036 217 N HA -0.190 4.550 4.740 0.000 0.000 0.195 217 N C 1.873 177.354 175.510 -0.048 0.000 1.037 217 N CA 2.002 55.053 53.050 0.002 0.000 0.855 217 N CB -0.443 38.024 38.487 -0.033 0.000 1.033 217 N HN 0.452 nan 8.380 nan 0.000 0.423 218 A N 0.920 123.705 122.820 -0.059 0.000 1.940 218 A HA -0.174 4.146 4.320 0.000 0.000 0.219 218 A C 1.657 179.218 177.584 -0.038 0.000 1.176 218 A CA 1.762 53.755 52.037 -0.073 0.000 0.631 218 A CB -0.533 18.436 19.000 -0.052 0.000 0.814 218 A HN 0.183 nan 8.150 nan 0.000 0.446 219 D N -0.610 119.786 120.400 -0.006 0.000 2.178 219 D HA -0.100 4.540 4.640 0.000 0.000 0.202 219 D C 1.948 178.270 176.300 0.037 0.000 0.974 219 D CA 1.274 55.282 54.000 0.013 0.000 0.841 219 D CB -0.428 40.382 40.800 0.017 0.000 0.953 219 D HN 0.463 nan 8.370 nan 0.000 0.478 220 C N 0.192 119.531 119.300 0.065 0.000 2.450 220 C HA -0.011 4.449 4.460 0.000 0.000 0.279 220 C C 2.899 178.016 174.990 0.213 0.000 1.335 220 C CA -0.080 59.021 59.018 0.138 0.000 1.749 220 C CB -0.653 27.205 27.740 0.197 0.000 1.963 220 C HN 0.155 nan 8.230 nan 0.000 0.501 221 V N 0.989 120.950 119.914 0.078 0.000 2.295 221 V HA -0.316 3.804 4.120 0.000 0.000 0.246 221 V C 2.457 178.562 176.094 0.019 0.000 1.049 221 V CA 2.374 64.629 62.300 -0.076 0.000 1.024 221 V CB -0.680 30.920 31.823 -0.372 0.000 0.648 221 V HN 0.602 nan 8.190 nan 0.000 0.447 222 M N -0.548 119.062 119.600 0.016 0.000 2.108 222 M HA -0.215 4.265 4.480 0.000 0.000 0.261 222 M C 2.115 178.447 176.300 0.054 0.000 1.066 222 M CA 2.068 57.390 55.300 0.036 0.000 1.107 222 M CB -0.223 32.390 32.600 0.022 0.000 1.356 222 M HN 0.364 nan 8.290 nan 0.000 0.406 223 L N 0.823 122.081 121.223 0.058 0.000 2.012 223 L HA -0.098 4.242 4.340 0.000 0.000 0.210 223 L C 2.484 179.391 176.870 0.061 0.000 1.073 223 L CA 2.340 57.212 54.840 0.053 0.000 0.748 223 L CB -1.077 41.012 42.059 0.049 0.000 0.891 223 L HN 0.355 nan 8.230 nan 0.000 0.431 224 A N -0.946 121.926 122.820 0.086 0.000 1.902 224 A HA -0.224 4.096 4.320 0.000 0.000 0.217 224 A C 2.176 179.826 177.584 0.110 0.000 1.181 224 A CA 1.851 53.936 52.037 0.081 0.000 0.623 224 A CB -0.627 18.438 19.000 0.109 0.000 0.818 224 A HN 0.627 nan 8.150 nan 0.000 0.443 225 E N -0.689 119.591 120.200 0.134 0.000 2.106 225 E HA -0.140 4.210 4.350 0.000 0.000 0.192 225 E C 2.366 179.019 176.600 0.088 0.000 0.984 225 E CA 0.799 57.284 56.400 0.142 0.000 0.806 225 E CB -0.133 29.659 29.700 0.153 0.000 0.750 225 E HN 0.507 nan 8.360 nan 0.000 0.458 226 R N 0.394 120.934 120.500 0.068 0.000 2.066 226 R HA -0.043 4.297 4.340 0.000 0.000 0.232 226 R C 2.317 178.644 176.300 0.045 0.000 1.131 226 R CA 0.907 57.036 56.100 0.049 0.000 0.955 226 R CB -0.201 30.122 30.300 0.039 0.000 0.851 226 R HN 0.188 nan 8.270 nan 0.000 0.432 227 L N 0.912 122.162 121.223 0.045 0.000 2.478 227 L HA -0.000 4.340 4.340 0.000 0.000 0.223 227 L C 0.158 177.054 176.870 0.044 0.000 1.140 227 L CA 0.323 55.187 54.840 0.039 0.000 0.842 227 L CB -0.034 42.043 42.059 0.031 0.000 0.953 227 L HN 0.113 nan 8.230 nan 0.000 0.452 228 K N -0.282 120.151 120.400 0.055 0.000 3.150 228 K HA -0.170 4.150 4.320 0.000 0.000 0.267 228 K C -0.097 176.534 176.600 0.051 0.000 1.028 228 K CA 0.844 57.166 56.287 0.059 0.000 0.753 228 K CB -1.997 30.532 32.500 0.049 0.000 1.288 228 K HN 0.336 nan 8.250 nan 0.000 0.473 229 A N 0.973 123.815 122.820 0.038 0.000 2.355 229 A HA 0.725 5.045 4.320 0.000 0.000 0.324 229 A C -2.208 175.349 177.584 -0.044 0.000 1.117 229 A CA -1.500 50.542 52.037 0.008 0.000 0.785 229 A CB 1.222 20.216 19.000 -0.010 0.000 1.254 229 A HN -0.021 nan 8.150 nan 0.000 0.453 230 P HA 0.311 nan 4.420 nan 0.000 0.272 230 P C -0.763 176.355 177.300 -0.303 0.000 1.223 230 P CA 0.017 63.001 63.100 -0.194 0.000 0.784 230 P CB 0.999 32.606 31.700 -0.155 0.000 0.923 231 V N 2.737 122.352 119.914 -0.499 0.000 2.531 231 V HA 0.361 4.481 4.120 0.000 0.000 0.301 231 V C -0.559 175.116 176.094 -0.697 0.000 1.034 231 V CA -0.314 61.653 62.300 -0.556 0.000 0.865 231 V CB 1.435 32.705 31.823 -0.921 0.000 0.995 231 V HN 0.596 nan 8.190 nan 0.000 0.424 232 W N 2.510 123.567 121.300 -0.405 0.000 2.706 232 W HA 0.743 5.403 4.660 0.000 0.000 0.346 232 W C -0.539 175.788 176.519 -0.320 0.000 1.071 232 W CA -0.814 56.275 57.345 -0.427 0.000 1.206 232 W CB 1.892 31.132 29.460 -0.366 0.000 1.413 232 W HN 0.287 nan 8.180 nan 0.000 0.542 233 V N 3.111 122.981 119.914 -0.073 0.000 2.394 233 V HA 0.552 4.672 4.120 0.000 0.000 0.282 233 V C 0.517 176.517 176.094 -0.157 0.000 1.031 233 V CA -1.201 61.038 62.300 -0.102 0.000 0.881 233 V CB 0.553 32.235 31.823 -0.235 0.000 0.982 233 V HN 0.676 nan 8.190 nan 0.000 0.451 234 A N 8.622 131.389 122.820 -0.089 0.000 2.555 234 A HA 0.369 4.689 4.320 0.000 0.000 0.233 234 A C -1.811 175.672 177.584 -0.168 0.000 1.060 234 A CA -0.608 51.364 52.037 -0.109 0.000 0.759 234 A CB -0.406 18.625 19.000 0.051 0.000 0.995 234 A HN 0.697 nan 8.150 nan 0.000 0.506 235 P HA 0.056 nan 4.420 nan 0.000 0.268 235 P C -0.004 177.253 177.300 -0.071 0.000 1.208 235 P CA 0.651 63.650 63.100 -0.169 0.000 0.777 235 P CB 0.469 32.075 31.700 -0.158 0.000 0.875 236 S N -1.679 113.991 115.700 -0.051 0.000 3.641 236 S HA -0.180 4.290 4.470 0.000 0.000 0.346 236 S C 0.665 175.330 174.600 0.108 0.000 1.074 236 S CA 0.730 58.956 58.200 0.044 0.000 1.026 236 S CB -2.264 60.997 63.200 0.101 0.000 0.908 236 S HN 0.963 nan 8.310 nan 0.000 0.479 237 A N 0.857 123.700 122.820 0.039 0.000 2.553 237 A HA 0.371 4.691 4.320 0.000 0.000 0.258 237 A C -0.561 177.283 177.584 0.432 0.000 1.069 237 A CA -0.448 51.694 52.037 0.176 0.000 0.767 237 A CB 0.096 19.151 19.000 0.091 0.000 0.997 237 A HN 0.307 nan 8.150 nan 0.000 0.512 238 P HA 0.079 nan 4.420 nan 0.000 0.235 238 P C 0.188 177.726 177.300 0.396 0.000 1.177 238 P CA 0.765 64.099 63.100 0.391 0.000 0.785 238 P CB 0.377 32.182 31.700 0.176 0.000 0.885 239 R N -2.493 118.238 120.500 0.385 0.000 2.781 239 R HA 0.553 4.893 4.340 0.000 0.000 0.269 239 R C -1.467 175.044 176.300 0.352 0.000 1.025 239 R CA -0.788 55.476 56.100 0.273 0.000 0.914 239 R CB 1.184 31.545 30.300 0.101 0.000 1.236 239 R HN -0.147 nan 8.270 nan 0.000 0.465 240 C N 2.961 122.387 119.300 0.210 0.000 2.281 240 C HA 0.527 4.987 4.460 0.000 0.000 0.323 240 C C -1.735 173.344 174.990 0.148 0.000 1.270 240 C CA -1.906 57.245 59.018 0.221 0.000 1.559 240 C CB 0.723 28.432 27.740 -0.051 0.000 2.239 240 C HN 0.628 nan 8.230 nan 0.000 0.488 241 P HA 0.224 nan 4.420 nan 0.000 0.266 241 P C -0.351 177.103 177.300 0.258 0.000 1.381 241 P CA 0.222 63.433 63.100 0.185 0.000 0.940 241 P CB 0.026 31.837 31.700 0.185 0.000 1.435 242 F N 1.654 121.604 119.950 0.001 0.000 2.650 242 F HA 0.431 4.958 4.527 0.000 0.000 0.310 242 F C -2.624 173.050 175.800 -0.210 0.000 1.112 242 F CA -2.249 55.712 58.000 -0.064 0.000 0.986 242 F CB 2.051 41.075 39.000 0.041 0.000 1.285 242 F HN -0.331 nan 8.300 nan 0.000 0.440 243 P HA 0.063 nan 4.420 nan 0.000 0.266 243 P C 0.504 177.587 177.300 -0.363 0.000 1.215 243 P CA 0.212 63.109 63.100 -0.338 0.000 0.763 243 P CB 0.735 32.242 31.700 -0.322 0.000 0.806 244 T N 0.761 115.006 114.554 -0.515 0.000 3.098 244 T HA -0.044 4.306 4.350 0.000 0.000 0.266 244 T C 1.100 175.640 174.700 -0.266 0.000 1.145 244 T CA 0.654 62.247 62.100 -0.845 0.000 1.092 244 T CB -0.298 68.230 68.868 -0.567 0.000 0.908 244 T HN 0.219 nan 8.240 nan 0.000 0.526 245 R N 0.461 120.904 120.500 -0.094 0.000 2.543 245 R HA 0.223 4.563 4.340 0.000 0.000 0.323 245 R C 0.212 176.558 176.300 0.077 0.000 1.002 245 R CA -0.356 55.759 56.100 0.025 0.000 1.106 245 R CB -0.386 29.907 30.300 -0.012 0.000 1.280 245 R HN 0.608 nan 8.270 nan 0.000 0.549 246 H N 3.086 122.185 119.070 0.048 0.000 2.732 246 H HA 0.081 4.637 4.556 0.000 0.000 0.351 246 H C -1.374 174.057 175.328 0.171 0.000 1.090 246 H CA -1.224 54.880 56.048 0.094 0.000 1.431 246 H CB 1.730 31.561 29.762 0.115 0.000 1.447 246 H HN -0.140 nan 8.280 nan 0.000 0.582 247 P HA -0.157 nan 4.420 nan 0.000 0.217 247 P C 1.315 178.691 177.300 0.128 0.000 1.148 247 P CA 1.179 64.249 63.100 -0.051 0.000 0.828 247 P CB -0.065 31.534 31.700 -0.169 0.000 0.783 248 C N -2.308 117.244 119.300 0.420 0.000 2.481 248 C HA 0.143 4.603 4.460 0.000 0.000 0.275 248 C C 1.401 176.431 174.990 0.066 0.000 1.419 248 C CA -0.678 58.492 59.018 0.254 0.000 1.773 248 C CB -2.065 25.854 27.740 0.298 0.000 1.862 248 C HN 0.101 nan 8.230 nan 0.000 0.530 249 F N 2.240 122.242 119.950 0.086 0.000 2.578 249 F HA 0.142 4.669 4.527 0.000 0.000 0.381 249 F C 1.315 176.922 175.800 -0.322 0.000 1.069 249 F CA 0.378 58.310 58.000 -0.112 0.000 1.231 249 F CB 0.471 39.549 39.000 0.130 0.000 1.086 249 F HN 0.005 nan 8.300 nan 0.000 0.564 250 R N 3.605 123.274 120.500 -1.384 0.000 2.446 250 R HA 0.345 4.685 4.340 0.000 0.000 0.254 250 R C 0.656 175.989 176.300 -1.611 0.000 0.918 250 R CA 0.404 55.560 56.100 -1.573 0.000 1.069 250 R CB -0.015 28.890 30.300 -2.325 0.000 1.194 250 R HN 0.956 nan 8.270 nan 0.000 0.534 251 G N 1.165 108.796 108.800 -1.949 0.000 2.549 251 G HA2 -0.218 3.742 3.960 0.000 0.000 0.404 251 G HA3 -0.218 3.742 3.960 0.000 0.000 0.404 251 G C -1.362 173.236 174.900 -0.503 0.000 1.292 251 G CA -0.633 43.895 45.100 -0.954 0.000 0.935 251 G HN 0.123 nan 8.290 nan 0.000 0.512 252 L N 0.881 121.868 121.223 -0.392 0.000 2.319 252 L HA 0.724 5.064 4.340 0.000 0.000 0.280 252 L C 1.064 177.789 176.870 -0.242 0.000 1.099 252 L CA -0.267 54.248 54.840 -0.541 0.000 0.828 252 L CB 0.622 42.101 42.059 -0.966 0.000 1.150 252 L HN 0.621 nan 8.230 nan 0.000 0.442 253 M N 7.523 126.972 119.600 -0.253 0.000 2.238 253 M HA 0.286 4.766 4.480 0.000 0.000 0.347 253 M C -1.973 174.155 176.300 -0.287 0.000 1.173 253 M CA -1.547 53.552 55.300 -0.335 0.000 1.147 253 M CB 0.508 32.824 32.600 -0.473 0.000 1.547 253 M HN 0.493 nan 8.290 nan 0.000 0.455 254 P HA 0.097 nan 4.420 nan 0.000 0.271 254 P C -0.869 176.370 177.300 -0.103 0.000 1.218 254 P CA -0.209 62.797 63.100 -0.156 0.000 0.780 254 P CB 0.555 32.171 31.700 -0.140 0.000 0.901 255 A N 2.590 125.410 122.820 0.001 0.000 3.117 255 A HA 0.503 4.823 4.320 0.000 0.000 0.255 255 A C 0.808 178.548 177.584 0.260 0.000 1.583 255 A CA -0.048 52.067 52.037 0.130 0.000 1.234 255 A CB -1.200 17.924 19.000 0.206 0.000 1.076 255 A HN 0.648 nan 8.150 nan 0.000 0.653 256 G N -0.871 108.046 108.800 0.195 0.000 2.620 256 G HA2 0.488 4.448 3.960 0.000 0.000 0.301 256 G HA3 0.488 4.448 3.960 0.000 0.000 0.301 256 G C 0.588 175.501 174.900 0.022 0.000 1.347 256 G CA -0.658 44.506 45.100 0.106 0.000 0.971 256 G HN 0.137 nan 8.290 nan 0.000 0.488 257 I N 1.478 121.851 120.570 -0.327 0.000 2.099 257 I HA -0.258 3.912 4.170 0.000 0.000 0.239 257 I C 3.106 179.126 176.117 -0.163 0.000 1.066 257 I CA 2.012 63.077 61.300 -0.392 0.000 1.324 257 I CB -0.140 37.491 38.000 -0.615 0.000 1.037 257 I HN 0.553 nan 8.210 nan 0.000 0.401 258 A N 0.536 123.234 122.820 -0.204 0.000 1.902 258 A HA -0.162 4.158 4.320 0.000 0.000 0.217 258 A C 2.522 180.036 177.584 -0.118 0.000 1.181 258 A CA 1.892 53.835 52.037 -0.157 0.000 0.623 258 A CB -0.959 17.938 19.000 -0.172 0.000 0.818 258 A HN 0.470 nan 8.150 nan 0.000 0.443 259 A N -0.115 122.637 122.820 -0.114 0.000 1.908 259 A HA -0.112 4.208 4.320 0.000 0.000 0.218 259 A C 2.136 179.619 177.584 -0.168 0.000 1.181 259 A CA 1.623 53.586 52.037 -0.124 0.000 0.627 259 A CB -0.569 18.365 19.000 -0.111 0.000 0.818 259 A HN 0.516 nan 8.150 nan 0.000 0.445 260 I N 0.444 120.925 120.570 -0.147 0.000 2.286 260 I HA -0.218 3.952 4.170 0.000 0.000 0.245 260 I C 2.889 178.915 176.117 -0.153 0.000 1.104 260 I CA 1.479 62.644 61.300 -0.225 0.000 1.397 260 I CB -0.307 37.553 38.000 -0.234 0.000 1.072 260 I HN 0.510 nan 8.210 nan 0.000 0.417 261 S N 0.415 116.085 115.700 -0.050 0.000 2.382 261 S HA -0.287 4.183 4.470 0.000 0.000 0.228 261 S C 1.919 176.487 174.600 -0.054 0.000 1.027 261 S CA 1.307 59.498 58.200 -0.015 0.000 0.991 261 S CB -0.490 62.716 63.200 0.010 0.000 0.823 261 S HN 0.375 nan 8.310 nan 0.000 0.469 262 Q N 1.039 120.788 119.800 -0.085 0.000 2.079 262 Q HA 0.044 4.384 4.340 0.000 0.000 0.200 262 Q C 2.011 177.950 176.000 -0.102 0.000 0.974 262 Q CA 1.270 57.022 55.803 -0.084 0.000 0.840 262 Q CB -0.752 27.932 28.738 -0.090 0.000 0.898 262 Q HN 0.498 nan 8.270 nan 0.000 0.430 263 L N -0.395 120.722 121.223 -0.176 0.000 2.083 263 L HA -0.028 4.312 4.340 0.000 0.000 0.209 263 L C 1.741 178.523 176.870 -0.146 0.000 1.083 263 L CA 1.615 56.303 54.840 -0.253 0.000 0.752 263 L CB -0.278 41.454 42.059 -0.546 0.000 0.899 263 L HN 0.354 nan 8.230 nan 0.000 0.433 264 L N -0.881 120.278 121.223 -0.107 0.000 2.558 264 L HA 0.044 4.384 4.340 0.000 0.000 0.225 264 L C 0.913 177.855 176.870 0.119 0.000 1.128 264 L CA -0.189 54.688 54.840 0.062 0.000 0.868 264 L CB -0.427 41.636 42.059 0.007 0.000 1.006 264 L HN 0.253 nan 8.230 nan 0.000 0.454 265 E N 0.666 120.879 120.200 0.021 0.000 2.465 265 E HA 0.102 4.452 4.350 0.000 0.000 0.260 265 E C 1.176 177.737 176.600 -0.066 0.000 0.980 265 E CA 0.913 57.307 56.400 -0.010 0.000 0.927 265 E CB 0.354 30.036 29.700 -0.029 0.000 0.934 265 E HN 0.302 nan 8.360 nan 0.000 0.459 266 G N 4.119 112.877 108.800 -0.070 0.000 2.258 266 G HA2 -0.228 3.732 3.960 0.000 0.000 0.233 266 G HA3 -0.228 3.732 3.960 0.000 0.000 0.233 266 G C -0.097 174.693 174.900 -0.184 0.000 1.006 266 G CA 0.074 45.089 45.100 -0.143 0.000 0.620 266 G HN 0.716 nan 8.290 nan 0.000 0.511 267 H N 2.037 121.116 119.070 0.015 0.000 2.668 267 H HA 0.268 4.824 4.556 0.000 0.000 0.303 267 H C 1.286 176.626 175.328 0.020 0.000 1.074 267 H CA 0.454 56.516 56.048 0.022 0.000 1.406 267 H CB 1.438 31.219 29.762 0.031 0.000 1.442 267 H HN 0.507 nan 8.280 nan 0.000 0.482 268 D N 2.444 122.916 120.400 0.121 0.000 2.149 268 D HA -0.075 4.565 4.640 0.000 0.000 0.201 268 D C 0.464 176.809 176.300 0.075 0.000 0.972 268 D CA 0.528 54.573 54.000 0.075 0.000 0.835 268 D CB 0.346 41.175 40.800 0.049 0.000 0.966 268 D HN 0.117 nan 8.370 nan 0.000 0.476 269 V N 1.062 121.028 119.914 0.087 0.000 2.525 269 V HA 0.336 4.456 4.120 0.000 0.000 0.299 269 V C -0.554 175.571 176.094 0.052 0.000 1.034 269 V CA -0.973 61.362 62.300 0.059 0.000 0.863 269 V CB 2.522 34.370 31.823 0.042 0.000 0.999 269 V HN -0.067 nan 8.190 nan 0.000 0.423 270 V N 6.044 125.983 119.914 0.041 0.000 2.378 270 V HA 0.453 4.573 4.120 0.000 0.000 0.288 270 V C -0.462 175.644 176.094 0.020 0.000 1.016 270 V CA -0.569 61.745 62.300 0.023 0.000 0.840 270 V CB 1.671 33.523 31.823 0.049 0.000 0.994 270 V HN 0.661 nan 8.190 nan 0.000 0.431 271 L N 7.418 128.645 121.223 0.007 0.000 2.265 271 L HA 0.620 4.960 4.340 0.000 0.000 0.289 271 L C -0.361 176.518 176.870 0.015 0.000 1.033 271 L CA 0.209 55.053 54.840 0.006 0.000 0.814 271 L CB 1.447 43.507 42.059 0.001 0.000 1.203 271 L HN 0.442 nan 8.230 nan 0.000 0.423 272 V N 6.962 126.885 119.914 0.015 0.000 2.398 272 V HA 0.493 4.613 4.120 0.000 0.000 0.286 272 V C 0.110 176.210 176.094 0.010 0.000 1.026 272 V CA -0.410 61.909 62.300 0.031 0.000 0.868 272 V CB 1.374 33.209 31.823 0.020 0.000 0.982 272 V HN 0.592 nan 8.190 nan 0.000 0.443 273 I N 3.448 124.033 120.570 0.025 0.000 2.466 273 I HA 0.603 4.773 4.170 0.000 0.000 0.289 273 I C 0.995 177.132 176.117 0.033 0.000 1.026 273 I CA -0.504 60.808 61.300 0.021 0.000 1.078 273 I CB 1.794 39.809 38.000 0.025 0.000 1.249 273 I HN 0.826 nan 8.210 nan 0.000 0.429 274 G N 4.417 113.232 108.800 0.024 0.000 2.221 274 G HA2 -0.049 3.911 3.960 0.000 0.000 0.265 274 G HA3 -0.049 3.911 3.960 0.000 0.000 0.265 274 G C -0.049 174.886 174.900 0.058 0.000 1.041 274 G CA 0.312 45.435 45.100 0.040 0.000 0.807 274 G HN 1.059 nan 8.290 nan 0.000 0.502 275 A N -0.852 121.992 122.820 0.041 0.000 2.539 275 A HA 0.956 5.276 4.320 0.000 0.000 0.296 275 A C -2.774 174.810 177.584 -0.001 0.000 1.073 275 A CA -1.341 50.724 52.037 0.046 0.000 0.700 275 A CB 1.872 20.922 19.000 0.083 0.000 1.296 275 A HN 0.100 nan 8.150 nan 0.000 0.405 276 P HA 0.425 nan 4.420 nan 0.000 0.276 276 P C -0.799 176.394 177.300 -0.179 0.000 1.252 276 P CA -0.304 62.755 63.100 -0.069 0.000 0.802 276 P CB 0.853 32.528 31.700 -0.043 0.000 1.035 277 V N 2.523 122.227 119.914 -0.349 0.000 2.266 277 V HA 0.393 4.513 4.120 0.000 0.000 0.271 277 V C -0.677 175.106 176.094 -0.518 0.000 1.032 277 V CA 0.015 61.820 62.300 -0.825 0.000 0.806 277 V CB -0.954 30.372 31.823 -0.829 0.000 1.052 277 V HN 0.382 nan 8.190 nan 0.000 0.449 278 F N 1.964 121.690 119.950 -0.373 0.000 2.599 278 F HA 0.595 5.122 4.527 0.000 0.000 0.311 278 F C 0.410 175.860 175.800 -0.584 0.000 1.076 278 F CA -1.373 56.290 58.000 -0.562 0.000 0.937 278 F CB 2.096 40.572 39.000 -0.874 0.000 1.282 278 F HN 0.177 nan 8.300 nan 0.000 0.460 279 R N 2.063 122.497 120.500 -0.110 0.000 3.688 279 R HA 0.223 4.563 4.340 0.000 0.000 0.194 279 R C -1.213 175.087 176.300 -0.000 0.000 1.677 279 R CA -0.019 56.056 56.100 -0.040 0.000 1.351 279 R CB -1.194 29.113 30.300 0.012 0.000 1.338 279 R HN 0.364 nan 8.270 nan 0.000 0.731 280 Y N 0.133 120.546 120.300 0.188 0.000 2.335 280 Y HA 0.052 4.602 4.550 0.000 0.000 0.348 280 Y C 1.528 177.570 175.900 0.238 0.000 1.280 280 Y CA 0.377 58.594 58.100 0.194 0.000 1.504 280 Y CB 0.311 38.899 38.460 0.214 0.000 1.366 280 Y HN 0.445 nan 8.280 nan 0.000 0.621 281 H N -0.630 118.631 119.070 0.317 0.000 2.286 281 H HA 0.105 4.661 4.556 0.000 0.000 0.163 281 H C -0.206 175.272 175.328 0.250 0.000 1.015 281 H CA 0.526 56.721 56.048 0.244 0.000 1.107 281 H CB 0.010 29.914 29.762 0.238 0.000 1.050 281 H HN 0.635 nan 8.280 nan 0.000 0.360 282 Q N 1.158 121.114 119.800 0.261 0.000 2.394 282 Q HA 0.001 4.341 4.340 0.000 0.000 0.248 282 Q C -0.868 175.277 176.000 0.242 0.000 0.992 282 Q CA -0.353 55.576 55.803 0.211 0.000 0.888 282 Q CB 0.770 29.635 28.738 0.210 0.000 1.257 282 Q HN 0.441 nan 8.270 nan 0.000 0.462 283 Y N 1.997 122.335 120.300 0.063 0.000 2.504 283 Y HA 0.185 4.735 4.550 0.000 0.000 0.351 283 Y C -0.986 174.901 175.900 -0.022 0.000 0.988 283 Y CA -0.972 57.131 58.100 0.006 0.000 1.239 283 Y CB 0.536 38.997 38.460 0.002 0.000 1.128 283 Y HN 0.714 nan 8.280 nan 0.000 0.525 284 D N 9.190 129.390 120.400 -0.332 0.000 2.441 284 D HA 0.258 4.898 4.640 0.000 0.000 0.287 284 D C -2.939 173.053 176.300 -0.513 0.000 1.198 284 D CA -2.187 51.600 54.000 -0.355 0.000 0.894 284 D CB 0.797 41.497 40.800 -0.167 0.000 1.070 284 D HN 0.263 nan 8.370 nan 0.000 0.499 285 P HA 0.349 nan 4.420 nan 0.000 0.265 285 P C 0.337 177.412 177.300 -0.376 0.000 1.193 285 P CA 0.329 63.050 63.100 -0.632 0.000 0.765 285 P CB 1.553 32.838 31.700 -0.692 0.000 0.823 286 G N 2.103 110.697 108.800 -0.343 0.000 2.356 286 G HA2 0.129 4.089 3.960 0.000 0.000 0.281 286 G HA3 0.129 4.089 3.960 0.000 0.000 0.281 286 G C -1.607 173.115 174.900 -0.297 0.000 1.246 286 G CA -0.703 44.241 45.100 -0.260 0.000 0.889 286 G HN 0.464 nan 8.290 nan 0.000 0.486 287 Q N -0.551 119.127 119.800 -0.204 0.000 2.293 287 Q HA 0.412 4.752 4.340 0.000 0.000 0.251 287 Q C 0.232 176.145 176.000 -0.145 0.000 0.930 287 Q CA -0.496 55.211 55.803 -0.159 0.000 0.893 287 Q CB 1.331 30.034 28.738 -0.058 0.000 1.215 287 Q HN 0.519 nan 8.270 nan 0.000 0.425 288 Y N 0.890 121.204 120.300 0.024 0.000 2.263 288 Y HA -0.005 4.545 4.550 0.000 0.000 0.292 288 Y C 0.556 176.517 175.900 0.101 0.000 1.130 288 Y CA 0.897 59.047 58.100 0.084 0.000 1.179 288 Y CB 0.449 38.969 38.460 0.100 0.000 0.998 288 Y HN 0.383 nan 8.280 nan 0.000 0.532 289 L N -0.221 121.132 121.223 0.216 0.000 2.472 289 L HA 0.333 4.673 4.340 0.000 0.000 0.260 289 L C -0.667 176.250 176.870 0.079 0.000 0.963 289 L CA -1.013 53.910 54.840 0.140 0.000 0.829 289 L CB 2.679 44.820 42.059 0.136 0.000 1.348 289 L HN -0.219 nan 8.230 nan 0.000 0.408 290 K N 2.535 122.965 120.400 0.049 0.000 2.118 290 K HA 0.401 4.721 4.320 0.000 0.000 0.264 290 K C -2.302 174.315 176.600 0.029 0.000 1.000 290 K CA -1.558 54.743 56.287 0.025 0.000 0.929 290 K CB 0.800 33.303 32.500 0.006 0.000 1.021 290 K HN 0.288 nan 8.250 nan 0.000 0.463 291 P HA -0.075 nan 4.420 nan 0.000 0.266 291 P C 0.503 177.813 177.300 0.017 0.000 1.195 291 P CA 0.593 63.705 63.100 0.019 0.000 0.768 291 P CB 0.533 32.239 31.700 0.011 0.000 0.838 292 G N 1.460 110.273 108.800 0.020 0.000 2.213 292 G HA2 -0.167 3.793 3.960 0.000 0.000 0.226 292 G HA3 -0.167 3.793 3.960 0.000 0.000 0.226 292 G C 0.081 175.000 174.900 0.031 0.000 0.992 292 G CA 0.003 45.115 45.100 0.019 0.000 0.632 292 G HN 0.683 nan 8.290 nan 0.000 0.511 293 T N 1.851 116.430 114.554 0.041 0.000 2.771 293 T HA 0.639 4.989 4.350 0.000 0.000 0.281 293 T C -0.107 174.623 174.700 0.050 0.000 0.982 293 T CA -0.464 61.670 62.100 0.057 0.000 0.978 293 T CB 2.016 70.928 68.868 0.072 0.000 0.930 293 T HN 0.315 nan 8.240 nan 0.000 0.447 294 R N 3.292 123.820 120.500 0.047 0.000 2.387 294 R HA 0.523 4.863 4.340 0.000 0.000 0.314 294 R C -1.319 175.001 176.300 0.033 0.000 0.958 294 R CA -0.726 55.394 56.100 0.033 0.000 0.846 294 R CB 1.156 31.471 30.300 0.025 0.000 1.147 294 R HN 0.607 nan 8.270 nan 0.000 0.447 295 L N 5.760 126.995 121.223 0.020 0.000 2.322 295 L HA 0.583 4.923 4.340 0.000 0.000 0.281 295 L C -1.064 175.796 176.870 -0.016 0.000 1.014 295 L CA -0.563 54.282 54.840 0.009 0.000 0.815 295 L CB 1.338 43.399 42.059 0.004 0.000 1.247 295 L HN 0.593 nan 8.230 nan 0.000 0.421 296 I N 4.037 124.597 120.570 -0.016 0.000 2.447 296 I HA 0.341 4.511 4.170 0.000 0.000 0.287 296 I C -0.484 175.611 176.117 -0.037 0.000 1.023 296 I CA -0.316 60.969 61.300 -0.026 0.000 1.083 296 I CB 2.058 40.051 38.000 -0.012 0.000 1.245 296 I HN 0.539 nan 8.210 nan 0.000 0.434 297 S N 5.740 121.406 115.700 -0.056 0.000 2.454 297 S HA 0.668 5.138 4.470 0.000 0.000 0.306 297 S C -0.844 173.727 174.600 -0.048 0.000 1.100 297 S CA -0.481 57.679 58.200 -0.066 0.000 1.087 297 S CB 1.411 64.543 63.200 -0.114 0.000 1.019 297 S HN 0.323 nan 8.310 nan 0.000 0.480 298 V N 4.593 124.486 119.914 -0.035 0.000 2.334 298 V HA 0.609 4.729 4.120 0.000 0.000 0.281 298 V C 0.352 176.428 176.094 -0.029 0.000 1.016 298 V CA -0.436 61.847 62.300 -0.027 0.000 0.832 298 V CB 1.127 32.941 31.823 -0.015 0.000 0.999 298 V HN 0.960 nan 8.190 nan 0.000 0.439 299 T N 3.216 117.747 114.554 -0.038 0.000 2.906 299 T HA 0.274 4.624 4.350 0.000 0.000 0.295 299 T C 0.781 175.446 174.700 -0.059 0.000 1.061 299 T CA -0.131 61.944 62.100 -0.041 0.000 1.000 299 T CB 1.439 70.282 68.868 -0.042 0.000 1.103 299 T HN 0.838 nan 8.240 nan 0.000 0.486 300 C N 1.507 120.754 119.300 -0.089 0.000 2.791 300 C HA 0.494 4.954 4.460 0.000 0.000 0.270 300 C C 0.367 175.254 174.990 -0.171 0.000 1.257 300 C CA -0.545 58.393 59.018 -0.133 0.000 1.699 300 C CB -1.390 26.242 27.740 -0.180 0.000 1.904 300 C HN 0.742 nan 8.230 nan 0.000 0.603 301 D N 1.037 121.359 120.400 -0.130 0.000 2.471 301 D HA 0.364 5.004 4.640 0.000 0.000 0.245 301 D C -1.950 174.326 176.300 -0.041 0.000 1.116 301 D CA -1.838 52.101 54.000 -0.103 0.000 0.853 301 D CB 2.156 42.923 40.800 -0.056 0.000 1.123 301 D HN -0.111 nan 8.370 nan 0.000 0.540 302 P HA -0.088 nan 4.420 nan 0.000 0.216 302 P C 1.726 179.031 177.300 0.007 0.000 1.150 302 P CA 0.872 63.965 63.100 -0.011 0.000 0.843 302 P CB 0.372 32.071 31.700 -0.002 0.000 0.787 303 L N -0.698 120.545 121.223 0.033 0.000 2.131 303 L HA -0.193 4.147 4.340 0.000 0.000 0.210 303 L C 2.328 179.219 176.870 0.035 0.000 1.092 303 L CA 1.562 56.438 54.840 0.060 0.000 0.759 303 L CB -0.814 41.320 42.059 0.125 0.000 0.903 303 L HN 0.076 nan 8.230 nan 0.000 0.435 304 E N 0.078 120.289 120.200 0.018 0.000 2.046 304 E HA -0.162 4.188 4.350 0.000 0.000 0.190 304 E C 2.359 178.934 176.600 -0.042 0.000 0.982 304 E CA 1.016 57.410 56.400 -0.011 0.000 0.800 304 E CB -0.139 29.556 29.700 -0.008 0.000 0.756 304 E HN 0.477 nan 8.360 nan 0.000 0.449 305 A N 1.609 124.406 122.820 -0.039 0.000 1.902 305 A HA -0.144 4.176 4.320 0.000 0.000 0.217 305 A C 2.384 179.939 177.584 -0.047 0.000 1.181 305 A CA 1.765 53.772 52.037 -0.051 0.000 0.623 305 A CB -0.624 18.351 19.000 -0.041 0.000 0.818 305 A HN 0.291 nan 8.150 nan 0.000 0.443 306 A N 0.664 123.468 122.820 -0.027 0.000 1.898 306 A HA -0.159 4.161 4.320 0.000 0.000 0.216 306 A C 2.203 179.769 177.584 -0.029 0.000 1.181 306 A CA 1.666 53.691 52.037 -0.021 0.000 0.620 306 A CB -0.463 18.536 19.000 -0.001 0.000 0.819 306 A HN 0.708 nan 8.150 nan 0.000 0.442 307 R N -0.422 120.062 120.500 -0.027 0.000 2.299 307 R HA 0.409 4.749 4.340 0.000 0.000 0.197 307 R C 0.783 177.038 176.300 -0.074 0.000 0.971 307 R CA 0.583 56.664 56.100 -0.032 0.000 1.030 307 R CB -0.538 29.761 30.300 -0.001 0.000 0.932 307 R HN 0.285 nan 8.270 nan 0.000 0.477 308 A N 3.459 126.214 122.820 -0.108 0.000 2.548 308 A HA 0.130 4.451 4.320 0.000 0.000 0.247 308 A C -1.442 176.024 177.584 -0.196 0.000 1.067 308 A CA -1.090 50.841 52.037 -0.176 0.000 0.757 308 A CB 0.177 19.061 19.000 -0.195 0.000 0.996 308 A HN 0.317 nan 8.150 nan 0.000 0.504 309 P HA 0.058 nan 4.420 nan 0.000 0.249 309 P C -0.178 176.917 177.300 -0.342 0.000 1.229 309 P CA 0.701 63.559 63.100 -0.403 0.000 0.788 309 P CB -0.059 31.138 31.700 -0.838 0.000 1.072 310 M N -2.823 116.625 119.600 -0.254 0.000 2.732 310 M HA 0.596 5.076 4.480 0.000 0.000 0.272 310 M C -0.440 175.789 176.300 -0.118 0.000 1.203 310 M CA -0.104 55.111 55.300 -0.142 0.000 0.841 310 M CB 1.154 33.705 32.600 -0.083 0.000 1.685 310 M HN 0.034 nan 8.290 nan 0.000 0.492 311 G N 1.646 110.405 108.800 -0.068 0.000 2.829 311 G HA2 -0.050 3.910 3.960 0.000 0.000 0.628 311 G HA3 -0.050 3.910 3.960 0.000 0.000 0.628 311 G C -1.461 173.403 174.900 -0.060 0.000 1.412 311 G CA -0.151 44.914 45.100 -0.059 0.000 0.864 311 G HN 1.006 nan 8.290 nan 0.000 0.544 312 D N 0.062 120.433 120.400 -0.047 0.000 2.340 312 D HA 0.779 5.419 4.640 0.000 0.000 0.251 312 D C 0.669 176.938 176.300 -0.052 0.000 1.080 312 D CA 0.885 54.860 54.000 -0.042 0.000 0.971 312 D CB 1.630 42.414 40.800 -0.028 0.000 1.137 312 D HN 1.292 nan 8.370 nan 0.000 0.475 313 A N 0.497 123.289 122.820 -0.047 0.000 2.572 313 A HA 0.727 5.047 4.320 0.000 0.000 0.295 313 A C -1.233 176.328 177.584 -0.038 0.000 1.072 313 A CA -0.599 51.407 52.037 -0.050 0.000 0.691 313 A CB 1.132 20.096 19.000 -0.060 0.000 1.291 313 A HN 0.453 nan 8.150 nan 0.000 0.404 314 I N 1.346 121.895 120.570 -0.036 0.000 2.478 314 I HA 0.376 4.546 4.170 0.000 0.000 0.287 314 I C -0.893 175.204 176.117 -0.033 0.000 1.042 314 I CA -0.841 60.441 61.300 -0.030 0.000 1.067 314 I CB 2.231 40.217 38.000 -0.024 0.000 1.233 314 I HN 0.319 nan 8.210 nan 0.000 0.431 315 V N 5.953 125.847 119.914 -0.033 0.000 2.348 315 V HA 0.849 4.969 4.120 0.000 0.000 0.270 315 V C 0.292 176.363 176.094 -0.038 0.000 1.037 315 V CA -0.062 62.215 62.300 -0.039 0.000 0.872 315 V CB 0.618 32.418 31.823 -0.038 0.000 1.002 315 V HN 0.885 nan 8.190 nan 0.000 0.464 316 A N 3.692 126.487 122.820 -0.042 0.000 2.536 316 A HA 0.619 4.939 4.320 0.000 0.000 0.293 316 A C -1.143 176.415 177.584 -0.044 0.000 1.119 316 A CA -0.773 51.241 52.037 -0.038 0.000 0.654 316 A CB 1.035 20.019 19.000 -0.027 0.000 1.291 316 A HN 0.705 nan 8.150 nan 0.000 0.439 317 D N 0.189 120.567 120.400 -0.037 0.000 2.383 317 D HA 0.301 4.941 4.640 0.000 0.000 0.252 317 D C 1.127 177.413 176.300 -0.024 0.000 1.166 317 D CA -0.369 53.609 54.000 -0.036 0.000 0.879 317 D CB 0.354 41.139 40.800 -0.026 0.000 1.164 317 D HN 0.284 nan 8.370 nan 0.000 0.462 318 I N 3.778 124.334 120.570 -0.024 0.000 2.226 318 I HA -0.081 4.089 4.170 0.000 0.000 0.245 318 I C 2.306 178.425 176.117 0.003 0.000 1.100 318 I CA 1.209 62.505 61.300 -0.007 0.000 1.374 318 I CB -1.636 36.364 38.000 0.000 0.000 1.057 318 I HN 0.687 nan 8.210 nan 0.000 0.413 319 G N 0.705 109.507 108.800 0.003 0.000 2.421 319 G HA2 -0.193 3.767 3.960 0.000 0.000 0.216 319 G HA3 -0.193 3.767 3.960 0.000 0.000 0.216 319 G C 1.866 176.770 174.900 0.007 0.000 1.171 319 G CA 1.065 46.169 45.100 0.008 0.000 0.775 319 G HN 0.488 nan 8.290 nan 0.000 0.543 320 A N 0.243 123.065 122.820 0.002 0.000 1.902 320 A HA 0.056 4.376 4.320 0.000 0.000 0.217 320 A C 2.440 180.025 177.584 0.002 0.000 1.181 320 A CA 1.900 53.938 52.037 0.002 0.000 0.623 320 A CB -0.309 18.690 19.000 -0.001 0.000 0.818 320 A HN 0.301 nan 8.150 nan 0.000 0.443 321 M N -0.516 119.084 119.600 -0.000 0.000 2.099 321 M HA -0.050 4.430 4.480 0.000 0.000 0.262 321 M C 2.553 178.857 176.300 0.007 0.000 1.067 321 M CA 1.539 56.840 55.300 0.001 0.000 1.124 321 M CB -1.484 31.114 32.600 -0.003 0.000 1.353 321 M HN 0.477 nan 8.290 nan 0.000 0.410 322 A N -0.650 122.177 122.820 0.011 0.000 1.908 322 A HA -0.168 4.152 4.320 0.000 0.000 0.218 322 A C 2.496 180.090 177.584 0.017 0.000 1.181 322 A CA 2.346 54.394 52.037 0.019 0.000 0.627 322 A CB -0.982 18.033 19.000 0.025 0.000 0.818 322 A HN 0.494 nan 8.150 nan 0.000 0.445 323 S N -0.610 115.098 115.700 0.013 0.000 2.368 323 S HA -0.026 4.444 4.470 0.000 0.000 0.225 323 S C 2.195 176.801 174.600 0.010 0.000 1.030 323 S CA 1.574 59.781 58.200 0.011 0.000 0.999 323 S CB -0.486 62.719 63.200 0.009 0.000 0.844 323 S HN 0.809 nan 8.310 nan 0.000 0.459 324 A N 1.496 124.321 122.820 0.009 0.000 1.877 324 A HA 0.046 4.366 4.320 0.000 0.000 0.216 324 A C 2.226 179.816 177.584 0.009 0.000 1.186 324 A CA 1.481 53.523 52.037 0.007 0.000 0.620 324 A CB -0.900 18.103 19.000 0.005 0.000 0.822 324 A HN 0.563 nan 8.150 nan 0.000 0.443 325 L N -0.715 120.514 121.223 0.011 0.000 2.017 325 L HA -0.216 4.124 4.340 0.000 0.000 0.208 325 L C 3.100 179.979 176.870 0.016 0.000 1.073 325 L CA 1.177 56.024 54.840 0.013 0.000 0.745 325 L CB -0.599 41.468 42.059 0.013 0.000 0.894 325 L HN 0.440 nan 8.230 nan 0.000 0.432 326 A N -0.066 122.765 122.820 0.019 0.000 1.978 326 A HA -0.196 4.124 4.320 0.000 0.000 0.220 326 A C 1.978 179.573 177.584 0.018 0.000 1.170 326 A CA 1.858 53.908 52.037 0.022 0.000 0.636 326 A CB -0.458 18.556 19.000 0.023 0.000 0.810 326 A HN 0.476 nan 8.150 nan 0.000 0.448 327 N N -0.726 117.982 118.700 0.014 0.000 2.405 327 N HA 0.121 4.861 4.740 0.000 0.000 0.175 327 N C 1.382 176.899 175.510 0.012 0.000 1.051 327 N CA 0.672 53.729 53.050 0.012 0.000 0.899 327 N CB 0.043 38.536 38.487 0.010 0.000 1.000 327 N HN 0.493 nan 8.380 nan 0.000 0.451 328 L N 0.652 121.882 121.223 0.012 0.000 2.408 328 L HA 0.152 4.492 4.340 0.000 0.000 0.215 328 L C 0.706 177.584 176.870 0.012 0.000 1.081 328 L CA -0.006 54.840 54.840 0.011 0.000 0.840 328 L CB -0.040 42.025 42.059 0.009 0.000 1.002 328 L HN -0.105 nan 8.230 nan 0.000 0.468 329 V N -1.417 118.506 119.914 0.015 0.000 2.843 329 V HA 0.122 4.242 4.120 0.000 0.000 0.305 329 V C 0.217 176.321 176.094 0.017 0.000 1.065 329 V CA -0.861 61.449 62.300 0.016 0.000 1.116 329 V CB 0.446 32.281 31.823 0.019 0.000 0.968 329 V HN 0.156 nan 8.190 nan 0.000 0.487 330 E N 1.572 121.782 120.200 0.017 0.000 2.374 330 E HA 0.261 4.611 4.350 0.000 0.000 0.260 330 E C -0.248 176.364 176.600 0.021 0.000 1.101 330 E CA -0.450 55.961 56.400 0.017 0.000 0.907 330 E CB 1.019 30.728 29.700 0.015 0.000 1.014 330 E HN 0.895 nan 8.360 nan 0.000 0.427 331 E N 1.400 121.613 120.200 0.021 0.000 2.223 331 E HA 0.056 4.406 4.350 0.000 0.000 0.282 331 E C -0.716 175.898 176.600 0.023 0.000 1.046 331 E CA -0.232 56.182 56.400 0.024 0.000 0.857 331 E CB 0.868 30.582 29.700 0.023 0.000 1.055 331 E HN 0.302 nan 8.360 nan 0.000 0.409 332 S N 2.698 118.414 115.700 0.027 0.000 2.572 332 S HA 0.004 4.474 4.470 0.000 0.000 0.279 332 S C 1.004 175.619 174.600 0.024 0.000 1.341 332 S CA 0.075 58.290 58.200 0.026 0.000 1.043 332 S CB 0.829 64.047 63.200 0.030 0.000 0.887 332 S HN 0.630 nan 8.310 nan 0.000 0.516 333 S N 3.878 119.590 115.700 0.020 0.000 2.593 333 S HA 0.198 4.668 4.470 0.000 0.000 0.217 333 S C 0.699 175.310 174.600 0.019 0.000 0.966 333 S CA -0.316 57.894 58.200 0.018 0.000 0.914 333 S CB -0.139 63.070 63.200 0.015 0.000 0.776 333 S HN 0.691 nan 8.310 nan 0.000 0.523 334 R N 1.589 122.103 120.500 0.023 0.000 2.774 334 R HA 0.186 4.526 4.340 0.000 0.000 0.269 334 R C 0.407 176.721 176.300 0.024 0.000 1.068 334 R CA -0.111 56.004 56.100 0.024 0.000 1.180 334 R CB 0.281 30.599 30.300 0.030 0.000 1.077 334 R HN 0.457 nan 8.270 nan 0.000 0.513 335 Q N 1.708 121.521 119.800 0.021 0.000 2.293 335 Q HA 0.117 4.457 4.340 0.000 0.000 0.251 335 Q C -0.763 175.252 176.000 0.025 0.000 0.930 335 Q CA -0.575 55.239 55.803 0.019 0.000 0.893 335 Q CB 0.982 29.728 28.738 0.014 0.000 1.215 335 Q HN 0.345 nan 8.270 nan 0.000 0.425 336 L N 6.161 127.399 121.223 0.025 0.000 2.453 336 L HA 0.256 4.596 4.340 0.000 0.000 0.272 336 L C -2.237 174.648 176.870 0.025 0.000 1.182 336 L CA -0.944 53.917 54.840 0.034 0.000 0.858 336 L CB 0.431 42.508 42.059 0.030 0.000 1.120 336 L HN 0.615 nan 8.230 nan 0.000 0.474 337 P HA 0.088 nan 4.420 nan 0.000 0.268 337 P C -1.131 176.170 177.300 0.003 0.000 1.208 337 P CA -0.141 62.968 63.100 0.016 0.000 0.777 337 P CB 0.249 31.958 31.700 0.014 0.000 0.875 338 T N -0.753 113.797 114.554 -0.007 0.000 2.889 338 T HA 0.605 4.955 4.350 0.000 0.000 0.291 338 T C 0.237 174.927 174.700 -0.018 0.000 0.995 338 T CA -0.918 61.173 62.100 -0.014 0.000 1.092 338 T CB 0.734 69.595 68.868 -0.011 0.000 0.954 338 T HN 0.427 nan 8.240 nan 0.000 0.506 339 A N 2.351 125.161 122.820 -0.017 0.000 2.483 339 A HA 0.588 4.908 4.320 0.000 0.000 0.238 339 A C 0.973 178.552 177.584 -0.008 0.000 1.070 339 A CA -0.325 51.709 52.037 -0.006 0.000 0.770 339 A CB -0.655 18.340 19.000 -0.008 0.000 1.008 339 A HN 1.468 nan 8.150 nan 0.000 0.497 340 A N 3.178 125.996 122.820 -0.004 0.000 2.445 340 A HA 0.536 4.856 4.320 0.000 0.000 0.242 340 A C -1.881 175.705 177.584 0.003 0.000 1.075 340 A CA -0.842 51.186 52.037 -0.015 0.000 0.777 340 A CB -0.819 18.166 19.000 -0.026 0.000 1.013 340 A HN 0.721 nan 8.150 nan 0.000 0.493 341 P HA 0.319 nan 4.420 nan 0.000 0.272 341 P C -0.300 177.006 177.300 0.011 0.000 1.240 341 P CA -0.420 62.683 63.100 0.004 0.000 0.791 341 P CB 0.416 32.116 31.700 0.001 0.000 0.978 342 E N 2.040 122.246 120.200 0.011 0.000 2.413 342 E HA 0.103 4.453 4.350 0.000 0.000 0.263 342 E C -1.764 174.846 176.600 0.016 0.000 1.015 342 E CA -1.128 55.281 56.400 0.015 0.000 0.916 342 E CB -0.390 29.317 29.700 0.012 0.000 0.947 342 E HN 0.319 nan 8.360 nan 0.000 0.440 343 P HA 0.110 nan 4.420 nan 0.000 0.272 343 P C -1.104 176.206 177.300 0.017 0.000 1.223 343 P CA -0.389 62.724 63.100 0.021 0.000 0.784 343 P CB 0.966 32.683 31.700 0.029 0.000 0.923 344 A N 2.415 125.242 122.820 0.012 0.000 2.366 344 A HA 0.200 4.520 4.320 0.000 0.000 0.249 344 A C 0.430 178.019 177.584 0.008 0.000 1.084 344 A CA -0.401 51.640 52.037 0.007 0.000 0.794 344 A CB -0.058 18.942 19.000 0.001 0.000 1.034 344 A HN 0.602 nan 8.150 nan 0.000 0.491 345 K N 1.815 122.218 120.400 0.005 0.000 2.276 345 K HA 0.438 4.758 4.320 0.000 0.000 0.285 345 K C -0.776 175.816 176.600 -0.013 0.000 1.062 345 K CA -0.398 55.892 56.287 0.005 0.000 0.918 345 K CB 0.543 33.048 32.500 0.008 0.000 1.055 345 K HN 0.424 nan 8.250 nan 0.000 0.477 346 V N 4.032 123.931 119.914 -0.026 0.000 2.686 346 V HA -0.008 4.112 4.120 0.000 0.000 0.295 346 V C -0.119 175.932 176.094 -0.073 0.000 1.055 346 V CA -0.399 61.852 62.300 -0.081 0.000 1.050 346 V CB 1.152 32.889 31.823 -0.143 0.000 0.984 346 V HN 0.837 nan 8.190 nan 0.000 0.482 347 D N 3.143 123.489 120.400 -0.090 0.000 2.425 347 D HA 0.297 4.937 4.640 0.000 0.000 0.247 347 D C -0.020 176.289 176.300 0.016 0.000 1.147 347 D CA 0.299 54.280 54.000 -0.032 0.000 0.879 347 D CB 0.748 41.535 40.800 -0.022 0.000 1.179 347 D HN 0.529 nan 8.370 nan 0.000 0.456 348 Q N 2.319 122.167 119.800 0.079 0.000 2.309 348 Q HA 0.252 4.592 4.340 0.000 0.000 0.270 348 Q C -1.156 174.902 176.000 0.098 0.000 1.023 348 Q CA -0.821 55.077 55.803 0.159 0.000 0.758 348 Q CB 0.979 29.796 28.738 0.132 0.000 1.247 348 Q HN 0.382 nan 8.270 nan 0.000 0.455 349 D N 2.227 122.687 120.400 0.100 0.000 2.425 349 D HA 0.278 4.918 4.640 0.000 0.000 0.274 349 D C 0.192 176.512 176.300 0.033 0.000 1.242 349 D CA -0.060 53.973 54.000 0.055 0.000 1.060 349 D CB 0.333 41.163 40.800 0.051 0.000 1.112 349 D HN 0.464 nan 8.370 nan 0.000 0.561 350 A N -1.104 121.728 122.820 0.020 0.000 2.259 350 A HA 0.422 4.742 4.320 0.000 0.000 0.208 350 A C 1.148 178.732 177.584 0.000 0.000 1.201 350 A CA 0.535 52.578 52.037 0.011 0.000 0.824 350 A CB -1.010 17.996 19.000 0.011 0.000 0.838 350 A HN 0.553 nan 8.150 nan 0.000 0.485 351 G N -0.492 108.304 108.800 -0.007 0.000 2.714 351 G HA2 0.405 4.365 3.960 0.000 0.000 0.197 351 G HA3 0.405 4.365 3.960 0.000 0.000 0.197 351 G C 0.082 174.953 174.900 -0.047 0.000 1.449 351 G CA -0.975 44.112 45.100 -0.023 0.000 1.065 351 G HN 0.444 nan 8.290 nan 0.000 0.575 352 R N -0.833 119.626 120.500 -0.069 0.000 2.698 352 R HA 0.144 4.484 4.340 0.000 0.000 0.266 352 R C -0.393 175.810 176.300 -0.162 0.000 1.026 352 R CA -0.026 56.017 56.100 -0.096 0.000 1.102 352 R CB 0.179 30.423 30.300 -0.093 0.000 0.978 352 R HN 0.194 nan 8.270 nan 0.000 0.436 353 L N 3.394 124.535 121.223 -0.136 0.000 2.331 353 L HA 0.154 4.494 4.340 0.000 0.000 0.278 353 L C 0.645 177.400 176.870 -0.193 0.000 1.106 353 L CA -0.241 54.515 54.840 -0.140 0.000 0.824 353 L CB 0.470 42.478 42.059 -0.085 0.000 1.142 353 L HN 0.383 nan 8.230 nan 0.000 0.443 354 H N 3.575 122.626 119.070 -0.031 0.000 2.652 354 H HA 0.093 4.649 4.556 0.000 0.000 0.349 354 H C -1.580 173.707 175.328 -0.068 0.000 1.099 354 H CA -1.634 54.399 56.048 -0.024 0.000 1.417 354 H CB 1.234 30.994 29.762 -0.003 0.000 1.457 354 H HN 0.373 nan 8.280 nan 0.000 0.568 355 P HA -0.150 nan 4.420 nan 0.000 0.216 355 P C 1.045 178.271 177.300 -0.123 0.000 1.150 355 P CA 1.314 64.341 63.100 -0.122 0.000 0.843 355 P CB 0.435 32.168 31.700 0.054 0.000 0.787 356 E N -1.195 119.069 120.200 0.106 0.000 2.085 356 E HA -0.143 4.207 4.350 0.000 0.000 0.194 356 E C 1.954 178.605 176.600 0.085 0.000 0.994 356 E CA 1.705 58.200 56.400 0.159 0.000 0.801 356 E CB -1.335 28.431 29.700 0.109 0.000 0.743 356 E HN 0.245 nan 8.360 nan 0.000 0.453 357 T N 0.135 114.718 114.554 0.049 0.000 2.746 357 T HA -0.120 4.230 4.350 0.000 0.000 0.267 357 T C 2.016 176.693 174.700 -0.038 0.000 1.039 357 T CA 1.238 63.354 62.100 0.026 0.000 1.142 357 T CB -0.320 68.577 68.868 0.049 0.000 0.866 357 T HN -0.025 nan 8.240 nan 0.000 0.444 358 V N 1.036 120.856 119.914 -0.157 0.000 2.295 358 V HA -0.145 3.975 4.120 0.000 0.000 0.246 358 V C 2.203 178.171 176.094 -0.209 0.000 1.049 358 V CA 1.688 63.836 62.300 -0.254 0.000 1.024 358 V CB -0.852 30.695 31.823 -0.460 0.000 0.648 358 V HN 0.359 nan 8.190 nan 0.000 0.447 359 F N 0.632 120.583 119.950 0.001 0.000 2.134 359 F HA -0.119 4.408 4.527 0.000 0.000 0.299 359 F C 2.302 178.082 175.800 -0.032 0.000 1.097 359 F CA 1.325 59.302 58.000 -0.038 0.000 1.264 359 F CB -1.021 37.946 39.000 -0.055 0.000 1.001 359 F HN 0.200 nan 8.300 nan 0.000 0.479 360 D N -0.404 120.083 120.400 0.145 0.000 2.123 360 D HA -0.134 4.506 4.640 0.000 0.000 0.196 360 D C 2.288 178.627 176.300 0.064 0.000 0.992 360 D CA 1.882 55.934 54.000 0.087 0.000 0.833 360 D CB -0.730 40.108 40.800 0.064 0.000 0.954 360 D HN 0.196 nan 8.370 nan 0.000 0.455 361 T N 0.912 115.496 114.554 0.049 0.000 2.777 361 T HA -0.043 4.307 4.350 0.000 0.000 0.266 361 T C 2.231 176.967 174.700 0.061 0.000 1.040 361 T CA 0.442 62.566 62.100 0.040 0.000 1.141 361 T CB -0.243 68.636 68.868 0.019 0.000 0.868 361 T HN 0.112 nan 8.240 nan 0.000 0.444 362 L N 1.178 122.451 121.223 0.083 0.000 2.017 362 L HA -0.142 4.198 4.340 0.000 0.000 0.208 362 L C 2.644 179.603 176.870 0.148 0.000 1.073 362 L CA 1.361 56.283 54.840 0.137 0.000 0.745 362 L CB -0.578 41.600 42.059 0.198 0.000 0.894 362 L HN 0.280 nan 8.230 nan 0.000 0.432 363 N N -0.063 118.701 118.700 0.107 0.000 2.166 363 N HA -0.214 4.526 4.740 0.000 0.000 0.186 363 N C 1.454 177.008 175.510 0.074 0.000 1.019 363 N CA 1.552 54.653 53.050 0.086 0.000 0.856 363 N CB 0.015 38.527 38.487 0.041 0.000 0.993 363 N HN 0.208 nan 8.380 nan 0.000 0.426 364 D N -0.419 120.018 120.400 0.061 0.000 2.097 364 D HA -0.084 4.556 4.640 0.000 0.000 0.197 364 D C 1.744 178.071 176.300 0.045 0.000 0.984 364 D CA 1.153 55.180 54.000 0.045 0.000 0.826 364 D CB -0.108 40.714 40.800 0.037 0.000 0.973 364 D HN 0.447 nan 8.370 nan 0.000 0.460 365 M N 0.156 119.788 119.600 0.053 0.000 2.486 365 M HA 0.172 4.652 4.480 0.000 0.000 0.264 365 M C 0.904 177.231 176.300 0.045 0.000 1.125 365 M CA -0.021 55.305 55.300 0.044 0.000 1.144 365 M CB 0.431 33.055 32.600 0.040 0.000 1.353 365 M HN -0.177 nan 8.290 nan 0.000 0.466 366 A N 2.036 124.900 122.820 0.073 0.000 2.386 366 A HA 0.433 4.753 4.320 0.000 0.000 0.248 366 A C -2.129 175.471 177.584 0.027 0.000 1.082 366 A CA -1.204 50.867 52.037 0.056 0.000 0.789 366 A CB -0.607 18.464 19.000 0.117 0.000 1.025 366 A HN 0.084 nan 8.150 nan 0.000 0.490 367 P HA 0.111 nan 4.420 nan 0.000 0.270 367 P C 0.154 177.444 177.300 -0.015 0.000 1.223 367 P CA -0.073 63.016 63.100 -0.019 0.000 0.785 367 P CB 0.432 32.109 31.700 -0.039 0.000 0.923 368 E N 0.781 120.974 120.200 -0.011 0.000 2.409 368 E HA -0.139 4.211 4.350 0.000 0.000 0.198 368 E C 0.721 177.308 176.600 -0.023 0.000 1.024 368 E CA 0.722 57.118 56.400 -0.007 0.000 0.861 368 E CB -0.211 29.484 29.700 -0.009 0.000 0.788 368 E HN 0.485 nan 8.360 nan 0.000 0.521 369 N N 0.289 118.963 118.700 -0.042 0.000 2.328 369 N HA 0.128 4.868 4.740 0.000 0.000 0.247 369 N C -0.268 175.185 175.510 -0.095 0.000 1.165 369 N CA -0.158 52.858 53.050 -0.055 0.000 0.873 369 N CB 0.241 38.701 38.487 -0.045 0.000 1.125 369 N HN -0.075 nan 8.380 nan 0.000 0.513 370 A N 0.699 123.432 122.820 -0.145 0.000 2.406 370 A HA 0.521 4.841 4.320 0.000 0.000 0.243 370 A C 0.038 177.409 177.584 -0.355 0.000 1.082 370 A CA -0.184 51.676 52.037 -0.294 0.000 0.786 370 A CB 0.180 18.905 19.000 -0.458 0.000 1.029 370 A HN 0.391 nan 8.150 nan 0.000 0.495 371 I N 0.486 120.821 120.570 -0.391 0.000 2.436 371 I HA 0.356 4.526 4.170 0.000 0.000 0.289 371 I C -1.346 174.567 176.117 -0.339 0.000 1.010 371 I CA -0.284 60.876 61.300 -0.233 0.000 1.098 371 I CB 1.545 39.521 38.000 -0.040 0.000 1.266 371 I HN 0.599 nan 8.210 nan 0.000 0.434 372 Y N 5.949 126.266 120.300 0.027 0.000 2.409 372 Y HA 0.650 5.200 4.550 0.000 0.000 0.339 372 Y C -0.479 175.408 175.900 -0.022 0.000 1.033 372 Y CA -0.831 57.278 58.100 0.015 0.000 1.094 372 Y CB 1.594 40.070 38.460 0.026 0.000 1.210 372 Y HN 0.310 nan 8.280 nan 0.000 0.456 373 L N 2.879 124.189 121.223 0.145 0.000 2.365 373 L HA 0.462 4.802 4.340 0.000 0.000 0.273 373 L C -0.702 176.214 176.870 0.076 0.000 1.000 373 L CA -0.592 54.285 54.840 0.062 0.000 0.819 373 L CB 1.698 43.800 42.059 0.071 0.000 1.284 373 L HN 0.593 nan 8.230 nan 0.000 0.418 374 N N 1.688 120.410 118.700 0.035 0.000 2.443 374 N HA 0.318 5.058 4.740 0.000 0.000 0.269 374 N C -0.784 174.943 175.510 0.361 0.000 0.985 374 N CA -0.242 52.933 53.050 0.208 0.000 0.921 374 N CB 1.370 39.986 38.487 0.215 0.000 1.195 374 N HN 0.669 nan 8.380 nan 0.000 0.492 375 E N 1.948 122.326 120.200 0.297 0.000 3.843 375 E HA 0.145 4.495 4.350 0.000 0.000 0.189 375 E C -1.327 175.430 176.600 0.261 0.000 1.013 375 E CA -0.096 56.465 56.400 0.270 0.000 1.395 375 E CB 0.194 29.999 29.700 0.175 0.000 1.136 375 E HN 0.349 nan 8.360 nan 0.000 0.444 376 S N 0.314 116.195 115.700 0.302 0.000 2.328 376 S HA 0.090 4.560 4.470 0.000 0.000 0.204 376 S C 1.282 176.053 174.600 0.285 0.000 1.475 376 S CA -0.082 58.278 58.200 0.267 0.000 1.148 376 S CB 0.353 63.723 63.200 0.283 0.000 1.077 376 S HN 0.435 nan 8.310 nan 0.000 0.479 377 T N 0.785 115.513 114.554 0.290 0.000 2.737 377 T HA -0.164 4.186 4.350 0.000 0.000 0.269 377 T C 1.839 176.650 174.700 0.184 0.000 1.040 377 T CA 1.799 64.076 62.100 0.295 0.000 1.142 377 T CB -0.628 68.432 68.868 0.321 0.000 0.861 377 T HN 0.680 nan 8.240 nan 0.000 0.456 378 S N 1.340 117.126 115.700 0.144 0.000 2.603 378 S HA 0.055 4.525 4.470 0.000 0.000 0.220 378 S C 1.684 176.301 174.600 0.027 0.000 0.967 378 S CA 0.479 58.698 58.200 0.031 0.000 0.920 378 S CB -0.628 62.604 63.200 0.053 0.000 0.773 378 S HN 0.777 nan 8.310 nan 0.000 0.529 379 T N -3.103 111.525 114.554 0.125 0.000 3.132 379 T HA 0.230 4.581 4.350 0.000 0.000 0.274 379 T C 1.195 175.968 174.700 0.121 0.000 1.011 379 T CA 0.173 62.385 62.100 0.186 0.000 0.899 379 T CB -0.191 68.908 68.868 0.385 0.000 1.089 379 T HN 0.168 nan 8.240 nan 0.000 0.543 380 T N 2.281 116.875 114.554 0.067 0.000 2.720 380 T HA -0.050 4.300 4.350 0.000 0.000 0.268 380 T C 2.384 177.113 174.700 0.049 0.000 1.037 380 T CA 1.647 63.774 62.100 0.046 0.000 1.144 380 T CB -0.673 68.195 68.868 -0.001 0.000 0.864 380 T HN 0.643 nan 8.240 nan 0.000 0.444 381 A N 1.227 124.042 122.820 -0.009 0.000 1.902 381 A HA -0.177 4.143 4.320 0.000 0.000 0.217 381 A C 2.297 179.884 177.584 0.003 0.000 1.181 381 A CA 1.688 53.718 52.037 -0.013 0.000 0.623 381 A CB -0.654 18.305 19.000 -0.069 0.000 0.818 381 A HN 0.485 nan 8.150 nan 0.000 0.443 382 Q N -1.122 118.671 119.800 -0.013 0.000 2.079 382 Q HA -0.071 4.269 4.340 0.000 0.000 0.200 382 Q C 2.143 178.012 176.000 -0.219 0.000 0.974 382 Q CA 1.650 57.451 55.803 -0.003 0.000 0.840 382 Q CB -0.389 28.447 28.738 0.165 0.000 0.898 382 Q HN 0.771 nan 8.270 nan 0.000 0.430 383 M N -1.029 118.214 119.600 -0.595 0.000 2.080 383 M HA -0.214 4.266 4.480 0.000 0.000 0.260 383 M C 1.193 177.162 176.300 -0.552 0.000 1.068 383 M CA 1.711 56.327 55.300 -1.141 0.000 1.109 383 M CB -0.131 31.785 32.600 -1.139 0.000 1.342 383 M HN 0.291 nan 8.290 nan 0.000 0.405 384 W N 0.677 121.752 121.300 -0.376 0.000 2.374 384 W HA -0.179 4.481 4.660 0.000 0.000 0.288 384 W C 2.317 178.746 176.519 -0.149 0.000 1.218 384 W CA 1.402 58.588 57.345 -0.265 0.000 1.245 384 W CB -0.140 29.192 29.460 -0.213 0.000 1.126 384 W HN 0.367 nan 8.180 nan 0.000 0.545 385 Q N -0.748 119.106 119.800 0.090 0.000 2.331 385 Q HA 0.009 4.349 4.340 0.000 0.000 0.203 385 Q C 1.793 177.803 176.000 0.016 0.000 0.944 385 Q CA 0.760 56.608 55.803 0.076 0.000 0.892 385 Q CB -0.027 28.743 28.738 0.053 0.000 0.983 385 Q HN 0.307 nan 8.270 nan 0.000 0.482 386 R N -0.403 120.064 120.500 -0.055 0.000 2.334 386 R HA 0.244 4.584 4.340 0.000 0.000 0.212 386 R C -0.098 176.152 176.300 -0.084 0.000 0.897 386 R CA 0.009 56.088 56.100 -0.036 0.000 1.056 386 R CB 0.671 30.997 30.300 0.043 0.000 1.046 386 R HN 0.068 nan 8.270 nan 0.000 0.513 387 L N 1.430 122.536 121.223 -0.195 0.000 2.296 387 L HA 0.295 4.635 4.340 0.000 0.000 0.286 387 L C -0.387 176.381 176.870 -0.169 0.000 1.023 387 L CA -0.582 54.112 54.840 -0.244 0.000 0.812 387 L CB 1.648 43.390 42.059 -0.528 0.000 1.223 387 L HN 0.085 nan 8.230 nan 0.000 0.421 388 N N 4.652 123.302 118.700 -0.084 0.000 2.415 388 N HA 0.345 5.086 4.740 0.000 0.000 0.246 388 N C -0.872 174.607 175.510 -0.051 0.000 1.078 388 N CA -0.440 52.569 53.050 -0.068 0.000 0.942 388 N CB 0.562 39.032 38.487 -0.029 0.000 1.140 388 N HN 0.560 nan 8.380 nan 0.000 0.501 389 M N 3.655 123.188 119.600 -0.112 0.000 2.060 389 M HA 0.250 4.730 4.480 0.000 0.000 0.342 389 M C 0.783 177.011 176.300 -0.121 0.000 1.031 389 M CA -0.463 54.788 55.300 -0.083 0.000 0.981 389 M CB 1.541 34.063 32.600 -0.128 0.000 1.376 389 M HN 0.481 nan 8.290 nan 0.000 0.397 390 R N 0.350 120.800 120.500 -0.084 0.000 2.127 390 R HA 0.113 4.453 4.340 0.000 0.000 0.217 390 R C 0.371 176.608 176.300 -0.106 0.000 1.074 390 R CA 0.723 56.764 56.100 -0.098 0.000 0.991 390 R CB 0.135 30.395 30.300 -0.067 0.000 0.895 390 R HN 0.597 nan 8.270 nan 0.000 0.450 391 N N 0.988 119.640 118.700 -0.080 0.000 2.477 391 N HA 0.298 5.038 4.740 0.000 0.000 0.284 391 N C -2.609 172.862 175.510 -0.064 0.000 1.182 391 N CA -1.685 51.323 53.050 -0.070 0.000 0.949 391 N CB 0.943 39.401 38.487 -0.049 0.000 1.204 391 N HN -0.222 nan 8.380 nan 0.000 0.526 392 P HA 0.133 nan 4.420 nan 0.000 0.272 392 P C 0.440 177.730 177.300 -0.016 0.000 1.240 392 P CA 0.241 63.322 63.100 -0.032 0.000 0.791 392 P CB 0.323 32.011 31.700 -0.019 0.000 0.978 393 G N 0.656 109.447 108.800 -0.015 0.000 2.305 393 G HA2 -0.262 3.698 3.960 0.000 0.000 0.287 393 G HA3 -0.262 3.698 3.960 0.000 0.000 0.287 393 G C 0.631 175.523 174.900 -0.013 0.000 1.036 393 G CA 0.504 45.609 45.100 0.008 0.000 0.887 393 G HN 0.442 nan 8.290 nan 0.000 0.505 394 S N -1.500 114.158 115.700 -0.070 0.000 2.540 394 S HA 0.392 4.862 4.470 0.000 0.000 0.218 394 S C -0.035 174.585 174.600 0.034 0.000 0.977 394 S CA 0.313 58.505 58.200 -0.014 0.000 0.918 394 S CB 0.463 63.661 63.200 -0.003 0.000 0.806 394 S HN 0.805 nan 8.310 nan 0.000 0.496 395 Y N 0.561 120.655 120.300 -0.343 0.000 2.482 395 Y HA 0.553 5.103 4.550 0.000 0.000 0.334 395 Y C -2.215 173.369 175.900 -0.526 0.000 1.091 395 Y CA -1.354 56.572 58.100 -0.289 0.000 1.027 395 Y CB 0.994 39.255 38.460 -0.332 0.000 1.306 395 Y HN 0.039 nan 8.280 nan 0.000 0.446 396 Y N 6.233 126.290 120.300 -0.406 0.000 2.470 396 Y HA 0.609 5.159 4.550 0.000 0.000 0.341 396 Y C -1.483 174.323 175.900 -0.158 0.000 1.021 396 Y CA -1.220 56.824 58.100 -0.092 0.000 1.025 396 Y CB 2.232 40.796 38.460 0.174 0.000 1.266 396 Y HN 0.592 nan 8.280 nan 0.000 0.448 397 F N 2.564 122.543 119.950 0.049 0.000 2.596 397 F HA 0.532 5.059 4.527 0.000 0.000 0.311 397 F C -0.460 175.298 175.800 -0.069 0.000 1.116 397 F CA -1.764 56.276 58.000 0.067 0.000 0.957 397 F CB 0.939 40.030 39.000 0.152 0.000 1.250 397 F HN 0.742 nan 8.300 nan 0.000 0.444 398 C N 4.434 123.211 119.300 -0.871 0.000 2.421 398 C HA 0.419 4.879 4.460 0.000 0.000 0.401 398 C C 1.649 176.231 174.990 -0.680 0.000 1.493 398 C CA -0.004 58.425 59.018 -0.982 0.000 1.416 398 C CB -1.218 26.110 27.740 -0.686 0.000 2.451 398 C HN 1.057 nan 8.230 nan 0.000 0.624 399 A N 3.300 125.840 122.820 -0.468 0.000 2.024 399 A HA 0.206 4.526 4.320 0.000 0.000 0.220 399 A C 2.206 179.713 177.584 -0.129 0.000 1.164 399 A CA 1.809 53.735 52.037 -0.184 0.000 0.643 399 A CB -0.378 18.517 19.000 -0.176 0.000 0.806 399 A HN 1.690 nan 8.150 nan 0.000 0.451 400 A N -2.323 120.386 122.820 -0.185 0.000 2.470 400 A HA 0.473 4.793 4.320 0.000 0.000 0.251 400 A C 1.558 179.056 177.584 -0.144 0.000 1.245 400 A CA 0.946 52.915 52.037 -0.113 0.000 0.932 400 A CB -0.613 18.342 19.000 -0.076 0.000 1.037 400 A HN 1.807 nan 8.150 nan 0.000 0.522 401 G N -0.892 107.775 108.800 -0.222 0.000 2.153 401 G HA2 -0.088 3.872 3.960 0.000 0.000 0.252 401 G HA3 -0.088 3.872 3.960 0.000 0.000 0.252 401 G C 0.646 175.413 174.900 -0.223 0.000 0.994 401 G CA 0.227 45.195 45.100 -0.219 0.000 0.698 401 G HN 1.457 nan 8.290 nan 0.000 0.521 402 G N 0.165 108.823 108.800 -0.235 0.000 2.356 402 G HA2 0.586 4.546 3.960 0.000 0.000 0.300 402 G HA3 0.586 4.546 3.960 0.000 0.000 0.300 402 G C 0.542 175.300 174.900 -0.237 0.000 1.107 402 G CA -0.603 44.374 45.100 -0.206 0.000 0.960 402 G HN 0.591 nan 8.290 nan 0.000 0.418 403 L N 1.709 122.719 121.223 -0.355 0.000 2.473 403 L HA 0.423 4.763 4.340 0.000 0.000 0.268 403 L C 1.539 178.215 176.870 -0.323 0.000 1.215 403 L CA 0.828 55.415 54.840 -0.421 0.000 0.823 403 L CB 0.801 42.390 42.059 -0.782 0.000 1.099 403 L HN 0.819 nan 8.230 nan 0.000 0.483 404 G N 1.123 109.873 108.800 -0.084 0.000 2.163 404 G HA2 -0.306 3.654 3.960 0.000 0.000 0.213 404 G HA3 -0.306 3.654 3.960 0.000 0.000 0.213 404 G C 0.189 175.146 174.900 0.095 0.000 0.991 404 G CA 0.285 45.434 45.100 0.082 0.000 0.653 404 G HN 0.638 nan 8.290 nan 0.000 0.518 405 F N 1.577 121.488 119.950 -0.065 0.000 2.164 405 F HA 0.525 5.052 4.527 0.000 0.000 0.287 405 F C 2.526 178.310 175.800 -0.026 0.000 1.086 405 F CA 1.927 59.890 58.000 -0.063 0.000 1.249 405 F CB -0.527 38.403 39.000 -0.118 0.000 1.059 405 F HN 0.232 nan 8.300 nan 0.000 0.490 406 A N 1.220 123.952 122.820 -0.145 0.000 1.908 406 A HA -0.194 4.126 4.320 0.000 0.000 0.218 406 A C 2.329 179.831 177.584 -0.136 0.000 1.181 406 A CA 2.001 53.908 52.037 -0.217 0.000 0.627 406 A CB -1.409 17.628 19.000 0.060 0.000 0.818 406 A HN 0.598 nan 8.150 nan 0.000 0.445 407 L N 0.071 121.287 121.223 -0.012 0.000 1.970 407 L HA -0.102 4.238 4.340 0.000 0.000 0.212 407 L C -0.360 176.539 176.870 0.047 0.000 1.071 407 L CA 2.072 56.960 54.840 0.079 0.000 0.751 407 L CB -0.781 41.286 42.059 0.012 0.000 0.889 407 L HN 0.279 nan 8.230 nan 0.000 0.432 408 P HA -0.129 nan 4.420 nan 0.000 0.217 408 P C 1.276 178.477 177.300 -0.165 0.000 1.151 408 P CA 1.867 64.926 63.100 -0.069 0.000 0.828 408 P CB -0.072 31.585 31.700 -0.072 0.000 0.788 409 A N 0.813 123.398 122.820 -0.392 0.000 1.972 409 A HA -0.077 4.243 4.320 0.000 0.000 0.219 409 A C 2.498 179.875 177.584 -0.345 0.000 1.169 409 A CA 2.092 53.799 52.037 -0.550 0.000 0.635 409 A CB -1.534 16.665 19.000 -1.335 0.000 0.810 409 A HN 0.227 nan 8.150 nan 0.000 0.446 410 A N 0.015 122.701 122.820 -0.223 0.000 1.933 410 A HA -0.099 4.221 4.320 0.000 0.000 0.218 410 A C 2.086 179.618 177.584 -0.086 0.000 1.175 410 A CA 1.545 53.506 52.037 -0.127 0.000 0.628 410 A CB -0.579 18.392 19.000 -0.048 0.000 0.814 410 A HN 0.530 nan 8.150 nan 0.000 0.444 411 I N -0.563 120.004 120.570 -0.005 0.000 2.252 411 I HA -0.160 4.010 4.170 0.000 0.000 0.245 411 I C 2.692 178.816 176.117 0.011 0.000 1.102 411 I CA 1.077 62.399 61.300 0.037 0.000 1.385 411 I CB -0.658 37.405 38.000 0.106 0.000 1.064 411 I HN 0.389 nan 8.210 nan 0.000 0.414 412 G N 0.599 109.379 108.800 -0.034 0.000 2.402 412 G HA2 -0.156 3.804 3.960 0.000 0.000 0.216 412 G HA3 -0.156 3.804 3.960 0.000 0.000 0.216 412 G C 1.719 176.647 174.900 0.047 0.000 1.162 412 G CA 0.724 45.833 45.100 0.014 0.000 0.777 412 G HN 0.222 nan 8.290 nan 0.000 0.539 413 V N 0.536 120.395 119.914 -0.093 0.000 2.343 413 V HA -0.205 3.915 4.120 0.000 0.000 0.247 413 V C 2.765 178.836 176.094 -0.037 0.000 1.051 413 V CA 2.202 64.431 62.300 -0.118 0.000 1.036 413 V CB -0.412 31.288 31.823 -0.206 0.000 0.654 413 V HN 0.408 nan 8.190 nan 0.000 0.451 414 Q N -0.172 119.607 119.800 -0.035 0.000 2.124 414 Q HA -0.191 4.149 4.340 0.000 0.000 0.202 414 Q C 1.926 177.944 176.000 0.030 0.000 0.977 414 Q CA 1.712 57.501 55.803 -0.024 0.000 0.850 414 Q CB -0.519 28.188 28.738 -0.052 0.000 0.901 414 Q HN 0.530 nan 8.270 nan 0.000 0.429 415 L N -0.222 121.053 121.223 0.086 0.000 2.093 415 L HA 0.030 4.370 4.340 0.000 0.000 0.208 415 L C 1.975 178.987 176.870 0.236 0.000 1.085 415 L CA 2.100 57.032 54.840 0.152 0.000 0.755 415 L CB -0.929 41.237 42.059 0.178 0.000 0.904 415 L HN 0.241 nan 8.230 nan 0.000 0.435 416 A N -1.641 121.308 122.820 0.214 0.000 1.970 416 A HA -0.005 4.315 4.320 0.000 0.000 0.216 416 A C 1.062 178.638 177.584 -0.012 0.000 1.170 416 A CA 0.875 52.924 52.037 0.019 0.000 0.645 416 A CB -0.177 18.665 19.000 -0.264 0.000 0.816 416 A HN 0.418 nan 8.150 nan 0.000 0.447 417 E N -0.240 119.959 120.200 -0.001 0.000 2.916 417 E HA 0.165 4.515 4.350 0.000 0.000 0.217 417 E C -2.164 174.432 176.600 -0.007 0.000 1.100 417 E CA -1.676 54.718 56.400 -0.011 0.000 0.891 417 E CB 0.946 30.635 29.700 -0.018 0.000 1.311 417 E HN 0.376 nan 8.360 nan 0.000 0.421 418 P HA -0.131 nan 4.420 nan 0.000 0.221 418 P C 0.520 177.812 177.300 -0.013 0.000 1.145 418 P CA 1.034 64.134 63.100 0.001 0.000 0.795 418 P CB 0.515 32.222 31.700 0.011 0.000 0.775 419 E N -0.851 119.339 120.200 -0.016 0.000 2.463 419 E HA 0.118 4.468 4.350 0.000 0.000 0.193 419 E C 0.385 176.965 176.600 -0.033 0.000 1.041 419 E CA -0.090 56.296 56.400 -0.022 0.000 0.879 419 E CB 0.169 29.859 29.700 -0.018 0.000 0.997 419 E HN 0.267 nan 8.360 nan 0.000 0.478 420 R N 1.221 121.697 120.500 -0.040 0.000 2.480 420 R HA 0.225 4.565 4.340 0.000 0.000 0.306 420 R C -0.643 175.609 176.300 -0.079 0.000 0.958 420 R CA -0.865 55.200 56.100 -0.058 0.000 0.861 420 R CB 1.415 31.683 30.300 -0.053 0.000 1.171 420 R HN -0.088 nan 8.270 nan 0.000 0.445 421 Q N 2.433 122.173 119.800 -0.099 0.000 2.271 421 Q HA 0.118 4.458 4.340 0.000 0.000 0.273 421 Q C -0.885 175.012 176.000 -0.172 0.000 1.051 421 Q CA 0.154 55.883 55.803 -0.122 0.000 0.901 421 Q CB 0.949 29.618 28.738 -0.115 0.000 1.174 421 Q HN 0.390 nan 8.270 nan 0.000 0.385 422 V N 6.756 126.570 119.914 -0.166 0.000 2.465 422 V HA 0.421 4.541 4.120 0.000 0.000 0.279 422 V C 0.106 176.068 176.094 -0.219 0.000 1.045 422 V CA -0.421 61.766 62.300 -0.189 0.000 0.938 422 V CB 1.067 32.796 31.823 -0.158 0.000 0.986 422 V HN 0.726 nan 8.190 nan 0.000 0.467 423 I N 4.165 124.614 120.570 -0.202 0.000 2.468 423 I HA 0.599 4.769 4.170 0.000 0.000 0.284 423 I C 0.099 176.223 176.117 0.012 0.000 1.038 423 I CA -0.493 60.740 61.300 -0.111 0.000 1.083 423 I CB 1.759 39.732 38.000 -0.045 0.000 1.223 423 I HN 0.642 nan 8.210 nan 0.000 0.443 424 A N 6.573 129.387 122.820 -0.012 0.000 2.260 424 A HA 0.711 5.031 4.320 0.000 0.000 0.308 424 A C -0.427 177.257 177.584 0.166 0.000 1.254 424 A CA -0.437 51.657 52.037 0.094 0.000 0.874 424 A CB 0.815 19.886 19.000 0.119 0.000 1.153 424 A HN 0.456 nan 8.150 nan 0.000 0.527 425 V N 4.984 125.020 119.914 0.204 0.000 2.333 425 V HA 0.379 4.499 4.120 0.000 0.000 0.274 425 V C -0.262 175.951 176.094 0.198 0.000 1.028 425 V CA 0.091 62.520 62.300 0.215 0.000 0.851 425 V CB 0.260 32.273 31.823 0.316 0.000 1.000 425 V HN 0.720 nan 8.190 nan 0.000 0.456 426 I N 3.508 124.166 120.570 0.147 0.000 2.545 426 I HA 0.602 4.772 4.170 0.000 0.000 0.292 426 I C 0.909 177.068 176.117 0.069 0.000 1.040 426 I CA -0.542 60.834 61.300 0.127 0.000 1.068 426 I CB 2.073 40.141 38.000 0.114 0.000 1.251 426 I HN 0.639 nan 8.210 nan 0.000 0.424 427 G N 2.564 111.432 108.800 0.114 0.000 2.569 427 G HA2 0.077 4.037 3.960 0.000 0.000 0.249 427 G HA3 0.077 4.037 3.960 0.000 0.000 0.249 427 G C 0.784 175.703 174.900 0.032 0.000 1.216 427 G CA -0.277 44.880 45.100 0.095 0.000 0.845 427 G HN 0.833 nan 8.290 nan 0.000 0.568 428 D N 0.580 120.971 120.400 -0.015 0.000 2.178 428 D HA -0.107 4.533 4.640 0.000 0.000 0.201 428 D C 2.080 178.525 176.300 0.241 0.000 0.980 428 D CA 1.302 55.274 54.000 -0.048 0.000 0.842 428 D CB -0.695 40.153 40.800 0.080 0.000 0.948 428 D HN 0.461 nan 8.370 nan 0.000 0.472 429 G N 0.460 109.437 108.800 0.294 0.000 2.404 429 G HA2 -0.205 3.755 3.960 0.000 0.000 0.214 429 G HA3 -0.205 3.755 3.960 0.000 0.000 0.214 429 G C 1.852 177.082 174.900 0.549 0.000 1.189 429 G CA 0.892 46.285 45.100 0.487 0.000 0.789 429 G HN 0.338 nan 8.290 nan 0.000 0.533 430 S N 1.191 117.173 115.700 0.471 0.000 2.399 430 S HA -0.026 4.444 4.470 0.000 0.000 0.231 430 S C 2.725 177.577 174.600 0.419 0.000 1.022 430 S CA 1.085 59.565 58.200 0.465 0.000 0.983 430 S CB -0.332 63.020 63.200 0.252 0.000 0.803 430 S HN 0.582 nan 8.310 nan 0.000 0.480 431 A N 2.748 125.734 122.820 0.275 0.000 1.978 431 A HA -0.175 4.145 4.320 0.000 0.000 0.220 431 A C 1.884 179.632 177.584 0.273 0.000 1.170 431 A CA 1.480 53.648 52.037 0.219 0.000 0.636 431 A CB -0.559 18.501 19.000 0.101 0.000 0.810 431 A HN 0.511 nan 8.150 nan 0.000 0.448 432 N N -1.243 117.624 118.700 0.279 0.000 2.331 432 N HA -0.132 4.608 4.740 0.000 0.000 0.180 432 N C 1.422 176.969 175.510 0.061 0.000 1.019 432 N CA 1.374 54.504 53.050 0.134 0.000 0.881 432 N CB -0.468 38.035 38.487 0.026 0.000 0.972 432 N HN 0.665 nan 8.380 nan 0.000 0.435 433 Y N 1.201 121.576 120.300 0.124 0.000 2.207 433 Y HA -0.063 4.487 4.550 0.000 0.000 0.287 433 Y C 1.430 177.368 175.900 0.064 0.000 1.156 433 Y CA 0.912 59.066 58.100 0.089 0.000 1.182 433 Y CB 0.041 38.550 38.460 0.082 0.000 0.979 433 Y HN -0.081 nan 8.280 nan 0.000 0.521 434 S N -0.916 114.906 115.700 0.204 0.000 2.794 434 S HA 0.138 4.608 4.470 0.000 0.000 0.244 434 S C 1.076 175.705 174.600 0.048 0.000 1.045 434 S CA -0.352 57.910 58.200 0.103 0.000 1.114 434 S CB -0.083 63.167 63.200 0.083 0.000 1.085 434 S HN 0.218 nan 8.310 nan 0.000 0.488 435 I N 2.879 123.492 120.570 0.071 0.000 2.264 435 I HA -0.188 3.982 4.170 0.000 0.000 0.248 435 I C 2.324 178.414 176.117 -0.045 0.000 1.111 435 I CA 1.849 63.189 61.300 0.067 0.000 1.382 435 I CB -0.259 37.835 38.000 0.155 0.000 1.060 435 I HN 0.474 nan 8.210 nan 0.000 0.418 436 S N 0.552 116.179 115.700 -0.122 0.000 2.500 436 S HA -0.042 4.428 4.470 0.000 0.000 0.239 436 S C 2.161 176.523 174.600 -0.398 0.000 0.989 436 S CA 0.632 58.536 58.200 -0.494 0.000 0.951 436 S CB -0.924 62.099 63.200 -0.295 0.000 0.759 436 S HN 0.497 nan 8.310 nan 0.000 0.523 437 A N 2.081 124.798 122.820 -0.171 0.000 2.019 437 A HA 0.111 4.431 4.320 0.000 0.000 0.219 437 A C 2.164 179.710 177.584 -0.064 0.000 1.164 437 A CA 1.188 53.185 52.037 -0.067 0.000 0.644 437 A CB -0.831 18.149 19.000 -0.034 0.000 0.805 437 A HN 0.576 nan 8.150 nan 0.000 0.449 438 L N -2.535 118.584 121.223 -0.174 0.000 2.081 438 L HA -0.260 4.080 4.340 0.000 0.000 0.212 438 L C 2.447 179.335 176.870 0.030 0.000 1.080 438 L CA 1.835 56.602 54.840 -0.122 0.000 0.754 438 L CB -0.495 41.515 42.059 -0.082 0.000 0.893 438 L HN 0.780 nan 8.230 nan 0.000 0.433 439 W N 0.883 122.031 121.300 -0.253 0.000 2.338 439 W HA -0.237 4.423 4.660 0.000 0.000 0.304 439 W C 2.536 179.060 176.519 0.008 0.000 1.212 439 W CA 2.205 59.491 57.345 -0.099 0.000 1.264 439 W CB -0.305 29.029 29.460 -0.210 0.000 1.142 439 W HN -0.019 nan 8.180 nan 0.000 0.512 440 T N 0.440 115.121 114.554 0.212 0.000 2.746 440 T HA -0.201 4.149 4.350 0.000 0.000 0.267 440 T C 1.944 176.714 174.700 0.117 0.000 1.039 440 T CA 1.922 64.135 62.100 0.189 0.000 1.142 440 T CB -0.904 68.137 68.868 0.288 0.000 0.866 440 T HN 0.262 nan 8.240 nan 0.000 0.444 441 A N 1.442 124.328 122.820 0.111 0.000 1.902 441 A HA 0.146 4.466 4.320 0.000 0.000 0.217 441 A C 2.638 180.242 177.584 0.033 0.000 1.181 441 A CA 1.850 53.965 52.037 0.131 0.000 0.623 441 A CB -1.096 18.058 19.000 0.256 0.000 0.818 441 A HN 0.508 nan 8.150 nan 0.000 0.443 442 A N -1.205 121.583 122.820 -0.054 0.000 1.873 442 A HA -0.162 4.158 4.320 0.000 0.000 0.215 442 A C 2.135 179.549 177.584 -0.283 0.000 1.186 442 A CA 1.609 53.568 52.037 -0.131 0.000 0.616 442 A CB -0.491 18.433 19.000 -0.127 0.000 0.823 442 A HN 0.479 nan 8.150 nan 0.000 0.442 443 Q N -1.266 118.200 119.800 -0.557 0.000 2.124 443 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 443 Q C 1.250 176.861 176.000 -0.650 0.000 0.977 443 Q CA 1.555 56.892 55.803 -0.776 0.000 0.850 443 Q CB -0.344 27.559 28.738 -1.393 0.000 0.901 443 Q HN 0.884 nan 8.270 nan 0.000 0.429 444 Y N -0.232 119.941 120.300 -0.211 0.000 2.458 444 Y HA 0.128 4.678 4.550 0.000 0.000 0.256 444 Y C 0.367 176.220 175.900 -0.079 0.000 1.159 444 Y CA -0.305 57.724 58.100 -0.118 0.000 1.261 444 Y CB 0.067 38.475 38.460 -0.086 0.000 1.119 444 Y HN 0.132 nan 8.280 nan 0.000 0.524 445 N N 1.174 119.877 118.700 0.004 0.000 2.714 445 N HA -0.220 4.520 4.740 0.000 0.000 0.253 445 N C -1.178 174.357 175.510 0.040 0.000 1.024 445 N CA 0.264 53.320 53.050 0.009 0.000 0.726 445 N CB -1.307 37.175 38.487 -0.010 0.000 0.908 445 N HN 0.366 nan 8.380 nan 0.000 0.542 446 I N 1.305 121.913 120.570 0.063 0.000 2.301 446 I HA 0.218 4.388 4.170 0.000 0.000 0.292 446 I C -1.316 174.814 176.117 0.023 0.000 1.046 446 I CA -1.933 59.396 61.300 0.049 0.000 1.282 446 I CB 1.174 39.216 38.000 0.069 0.000 1.409 446 I HN 0.101 nan 8.210 nan 0.000 0.484 447 P HA -0.008 nan 4.420 nan 0.000 0.277 447 P C -0.071 177.164 177.300 -0.109 0.000 1.617 447 P CA -0.010 63.067 63.100 -0.038 0.000 0.829 447 P CB -0.647 31.034 31.700 -0.031 0.000 1.774 448 T N 1.287 115.734 114.554 -0.178 0.000 2.918 448 T HA 0.292 4.642 4.350 0.000 0.000 0.302 448 T C 0.728 175.088 174.700 -0.567 0.000 1.045 448 T CA 0.139 61.989 62.100 -0.417 0.000 1.114 448 T CB 0.781 69.271 68.868 -0.630 0.000 0.965 448 T HN 0.083 nan 8.240 nan 0.000 0.540 449 I N 2.969 123.222 120.570 -0.527 0.000 2.354 449 I HA 0.381 4.551 4.170 0.000 0.000 0.292 449 I C -0.898 174.951 176.117 -0.447 0.000 0.989 449 I CA -0.669 60.422 61.300 -0.350 0.000 1.188 449 I CB 0.967 38.880 38.000 -0.145 0.000 1.342 449 I HN 0.507 nan 8.210 nan 0.000 0.457 450 F N 5.739 125.707 119.950 0.031 0.000 2.426 450 F HA 0.447 4.974 4.527 0.000 0.000 0.348 450 F C -0.036 175.780 175.800 0.026 0.000 1.124 450 F CA -0.926 57.093 58.000 0.032 0.000 1.008 450 F CB 1.489 40.511 39.000 0.036 0.000 1.139 450 F HN -0.009 nan 8.300 nan 0.000 0.452 451 V N 5.508 125.528 119.914 0.177 0.000 2.328 451 V HA 0.331 4.452 4.120 0.000 0.000 0.278 451 V C -0.070 176.056 176.094 0.053 0.000 1.021 451 V CA -0.624 61.734 62.300 0.097 0.000 0.838 451 V CB 1.010 32.879 31.823 0.077 0.000 0.999 451 V HN 0.437 nan 8.190 nan 0.000 0.447 452 I N 5.979 126.537 120.570 -0.020 0.000 2.325 452 I HA 0.348 4.519 4.170 0.000 0.000 0.291 452 I C 0.200 176.236 176.117 -0.135 0.000 1.019 452 I CA -0.468 60.738 61.300 -0.157 0.000 1.302 452 I CB 1.401 39.150 38.000 -0.419 0.000 1.401 452 I HN 0.451 nan 8.210 nan 0.000 0.485 453 M N 5.645 125.187 119.600 -0.096 0.000 2.319 453 M HA 0.153 4.633 4.480 0.000 0.000 0.343 453 M C 0.129 176.393 176.300 -0.060 0.000 1.364 453 M CA -0.168 55.096 55.300 -0.059 0.000 1.292 453 M CB -0.633 31.960 32.600 -0.011 0.000 1.432 453 M HN 0.361 nan 8.290 nan 0.000 0.448 454 N N 3.774 122.442 118.700 -0.054 0.000 2.437 454 N HA 0.125 4.865 4.740 0.000 0.000 0.243 454 N C 0.106 175.634 175.510 0.030 0.000 1.041 454 N CA -0.028 53.021 53.050 -0.001 0.000 0.940 454 N CB 0.431 38.951 38.487 0.056 0.000 1.133 454 N HN 0.477 nan 8.380 nan 0.000 0.506 455 N N 2.409 121.137 118.700 0.046 0.000 2.177 455 N HA 0.156 4.896 4.740 0.000 0.000 0.218 455 N C 0.948 176.490 175.510 0.053 0.000 1.182 455 N CA 0.206 53.283 53.050 0.045 0.000 0.882 455 N CB -0.017 38.499 38.487 0.050 0.000 1.052 455 N HN 0.478 nan 8.380 nan 0.000 0.519 456 G N -1.038 107.799 108.800 0.063 0.000 2.175 456 G HA2 -0.266 3.694 3.960 0.000 0.000 0.265 456 G HA3 -0.266 3.694 3.960 0.000 0.000 0.265 456 G C 0.026 174.928 174.900 0.004 0.000 0.979 456 G CA 0.980 46.105 45.100 0.042 0.000 0.663 456 G HN 0.800 nan 8.290 nan 0.000 0.533 457 T N -1.766 112.801 114.554 0.022 0.000 2.843 457 T HA 0.540 4.890 4.350 0.000 0.000 0.302 457 T C -1.205 173.558 174.700 0.105 0.000 1.232 457 T CA -0.582 61.525 62.100 0.011 0.000 1.009 457 T CB 0.915 69.827 68.868 0.074 0.000 1.254 457 T HN 0.257 nan 8.240 nan 0.000 0.504 458 Y N 2.574 122.964 120.300 0.150 0.000 2.636 458 Y HA 0.321 4.871 4.550 0.000 0.000 0.334 458 Y C 1.664 177.678 175.900 0.189 0.000 1.286 458 Y CA -0.504 57.704 58.100 0.180 0.000 1.688 458 Y CB -0.181 38.392 38.460 0.189 0.000 1.662 458 Y HN 0.851 nan 8.280 nan 0.000 0.465 459 G N 1.517 110.504 108.800 0.312 0.000 2.529 459 G HA2 -0.360 3.600 3.960 0.000 0.000 0.219 459 G HA3 -0.360 3.600 3.960 0.000 0.000 0.219 459 G C 1.870 176.934 174.900 0.273 0.000 1.177 459 G CA 1.072 46.320 45.100 0.247 0.000 0.773 459 G HN 0.628 nan 8.290 nan 0.000 0.573 460 A N 0.297 123.284 122.820 0.278 0.000 1.940 460 A HA 0.054 4.374 4.320 0.000 0.000 0.219 460 A C 2.470 180.347 177.584 0.488 0.000 1.176 460 A CA 1.466 53.678 52.037 0.292 0.000 0.631 460 A CB -0.350 18.848 19.000 0.330 0.000 0.814 460 A HN 0.391 nan 8.150 nan 0.000 0.446 461 L N -1.519 119.986 121.223 0.469 0.000 2.072 461 L HA -0.119 4.221 4.340 0.000 0.000 0.205 461 L C 2.827 179.927 176.870 0.384 0.000 1.079 461 L CA 1.138 56.262 54.840 0.473 0.000 0.752 461 L CB -0.484 41.769 42.059 0.324 0.000 0.906 461 L HN 0.351 nan 8.230 nan 0.000 0.436 462 R N -0.929 119.762 120.500 0.319 0.000 2.120 462 R HA -0.232 4.108 4.340 0.000 0.000 0.234 462 R C 2.071 178.501 176.300 0.218 0.000 1.123 462 R CA 1.884 58.125 56.100 0.234 0.000 0.975 462 R CB -0.371 30.051 30.300 0.204 0.000 0.866 462 R HN 0.420 nan 8.270 nan 0.000 0.446 463 W N 0.613 121.951 121.300 0.064 0.000 2.378 463 W HA -0.145 4.515 4.660 0.000 0.000 0.313 463 W C 1.527 178.020 176.519 -0.043 0.000 1.197 463 W CA 1.296 58.613 57.345 -0.047 0.000 1.304 463 W CB -0.472 28.884 29.460 -0.174 0.000 1.148 463 W HN -0.101 nan 8.180 nan 0.000 0.494 464 F N 0.967 121.019 119.950 0.170 0.000 2.126 464 F HA -0.167 4.360 4.527 0.000 0.000 0.299 464 F C 2.578 178.294 175.800 -0.141 0.000 1.096 464 F CA 1.974 59.924 58.000 -0.084 0.000 1.255 464 F CB -1.497 37.576 39.000 0.121 0.000 0.997 464 F HN -0.008 nan 8.300 nan 0.000 0.479 465 A N 0.156 123.071 122.820 0.158 0.000 2.076 465 A HA -0.071 4.249 4.320 0.000 0.000 0.220 465 A C 2.510 180.080 177.584 -0.023 0.000 1.160 465 A CA 1.765 53.847 52.037 0.076 0.000 0.653 465 A CB -1.490 17.574 19.000 0.106 0.000 0.801 465 A HN 0.425 nan 8.150 nan 0.000 0.455 466 G N -0.430 108.300 108.800 -0.116 0.000 2.411 466 G HA2 0.018 3.978 3.960 0.000 0.000 0.213 466 G HA3 0.018 3.978 3.960 0.000 0.000 0.213 466 G C 1.640 176.382 174.900 -0.265 0.000 1.166 466 G CA 1.389 46.378 45.100 -0.186 0.000 0.802 466 G HN 0.902 nan 8.290 nan 0.000 0.533 467 V N 0.593 120.242 119.914 -0.442 0.000 2.237 467 V HA -0.102 4.018 4.120 0.000 0.000 0.245 467 V C 2.684 178.672 176.094 -0.177 0.000 1.046 467 V CA 1.882 63.953 62.300 -0.382 0.000 1.007 467 V CB -0.891 30.613 31.823 -0.531 0.000 0.638 467 V HN 0.279 nan 8.190 nan 0.000 0.445 468 L N 0.524 121.683 121.223 -0.107 0.000 2.351 468 L HA -0.099 4.241 4.340 0.000 0.000 0.220 468 L C 1.674 178.519 176.870 -0.041 0.000 1.127 468 L CA 1.751 56.567 54.840 -0.041 0.000 0.786 468 L CB -1.186 40.872 42.059 -0.002 0.000 0.914 468 L HN 0.801 nan 8.230 nan 0.000 0.443 469 E N -0.026 120.138 120.200 -0.061 0.000 2.252 469 E HA -0.206 4.144 4.350 0.000 0.000 0.199 469 E C -0.266 176.322 176.600 -0.019 0.000 1.352 469 E CA 0.098 56.471 56.400 -0.044 0.000 0.682 469 E CB -0.616 29.060 29.700 -0.039 0.000 1.142 469 E HN 0.455 nan 8.360 nan 0.000 0.367 470 A N 2.910 125.724 122.820 -0.010 0.000 2.317 470 A HA 0.676 4.996 4.320 0.000 0.000 0.327 470 A C -0.216 177.377 177.584 0.014 0.000 1.178 470 A CA -0.453 51.589 52.037 0.008 0.000 0.817 470 A CB 1.035 20.048 19.000 0.021 0.000 1.189 470 A HN 0.391 nan 8.150 nan 0.000 0.489 471 E N 1.065 121.275 120.200 0.016 0.000 2.359 471 E HA 0.398 4.748 4.350 0.000 0.000 0.266 471 E C -0.812 175.803 176.600 0.025 0.000 0.920 471 E CA -1.256 55.156 56.400 0.020 0.000 0.788 471 E CB 1.124 30.832 29.700 0.013 0.000 1.279 471 E HN 0.633 nan 8.360 nan 0.000 0.438 472 N N -0.274 118.443 118.700 0.029 0.000 2.740 472 N HA -0.142 4.598 4.740 0.000 0.000 0.248 472 N C -1.029 174.504 175.510 0.038 0.000 1.062 472 N CA 0.462 53.531 53.050 0.031 0.000 0.704 472 N CB -1.322 37.179 38.487 0.024 0.000 0.968 472 N HN 0.158 nan 8.380 nan 0.000 0.547 473 V N 1.919 121.862 119.914 0.048 0.000 2.406 473 V HA 0.321 4.441 4.120 0.000 0.000 0.272 473 V C -0.930 175.206 176.094 0.069 0.000 1.043 473 V CA -0.922 61.413 62.300 0.060 0.000 0.915 473 V CB 1.250 33.117 31.823 0.073 0.000 0.988 473 V HN 0.137 nan 8.190 nan 0.000 0.466 474 P HA 0.375 nan 4.420 nan 0.000 0.278 474 P C 0.591 177.951 177.300 0.099 0.000 1.266 474 P CA 0.177 63.319 63.100 0.070 0.000 0.807 474 P CB 1.010 32.744 31.700 0.055 0.000 1.094 475 G N 0.138 108.998 108.800 0.101 0.000 2.221 475 G HA2 -0.227 3.733 3.960 0.000 0.000 0.265 475 G HA3 -0.227 3.733 3.960 0.000 0.000 0.265 475 G C 0.445 175.482 174.900 0.228 0.000 1.041 475 G CA 0.365 45.550 45.100 0.142 0.000 0.807 475 G HN 0.480 nan 8.290 nan 0.000 0.502 476 L N -0.931 120.401 121.223 0.182 0.000 2.554 476 L HA 0.278 4.618 4.340 0.000 0.000 0.225 476 L C 0.322 177.244 176.870 0.085 0.000 1.104 476 L CA 0.042 55.035 54.840 0.254 0.000 0.866 476 L CB 0.089 42.276 42.059 0.213 0.000 1.047 476 L HN 0.126 nan 8.230 nan 0.000 0.468 477 D N 0.567 120.957 120.400 -0.018 0.000 2.248 477 D HA 0.337 4.977 4.640 0.000 0.000 0.246 477 D C -0.043 176.139 176.300 -0.197 0.000 1.027 477 D CA -0.115 53.825 54.000 -0.100 0.000 0.853 477 D CB 3.088 43.872 40.800 -0.025 0.000 1.243 477 D HN -0.197 nan 8.370 nan 0.000 0.462 478 V N -0.823 118.953 119.914 -0.229 0.000 2.454 478 V HA 0.362 4.482 4.120 0.000 0.000 0.255 478 V C -2.523 173.523 176.094 -0.080 0.000 1.009 478 V CA -1.369 60.810 62.300 -0.200 0.000 1.149 478 V CB 0.468 32.100 31.823 -0.317 0.000 1.418 478 V HN 0.321 nan 8.190 nan 0.000 0.567 479 P HA 0.453 nan 4.420 nan 0.000 0.276 479 P C 0.794 178.071 177.300 -0.038 0.000 1.261 479 P CA 0.862 63.946 63.100 -0.026 0.000 0.800 479 P CB 1.456 33.144 31.700 -0.020 0.000 1.066 480 G N 0.157 108.936 108.800 -0.034 0.000 2.198 480 G HA2 -0.187 3.773 3.960 0.000 0.000 0.257 480 G HA3 -0.187 3.773 3.960 0.000 0.000 0.257 480 G C -0.176 174.660 174.900 -0.106 0.000 1.042 480 G CA -0.129 44.938 45.100 -0.056 0.000 0.791 480 G HN 0.488 nan 8.290 nan 0.000 0.502 481 I N 0.391 120.875 120.570 -0.142 0.000 2.389 481 I HA 0.317 4.487 4.170 0.000 0.000 0.288 481 I C -0.753 175.134 176.117 -0.384 0.000 0.999 481 I CA -0.866 60.232 61.300 -0.337 0.000 1.129 481 I CB 1.872 39.562 38.000 -0.518 0.000 1.288 481 I HN 0.037 nan 8.210 nan 0.000 0.444 482 D N 6.148 126.333 120.400 -0.358 0.000 2.443 482 D HA 0.223 4.863 4.640 0.000 0.000 0.221 482 D C 0.513 176.644 176.300 -0.282 0.000 1.097 482 D CA -0.322 53.551 54.000 -0.211 0.000 0.865 482 D CB 0.638 41.370 40.800 -0.114 0.000 1.034 482 D HN 0.284 nan 8.370 nan 0.000 0.511 483 F N 2.148 122.106 119.950 0.014 0.000 2.293 483 F HA 0.021 4.548 4.527 0.000 0.000 0.300 483 F C 2.324 178.138 175.800 0.024 0.000 1.086 483 F CA 0.577 58.591 58.000 0.023 0.000 1.375 483 F CB 0.010 39.030 39.000 0.034 0.000 1.045 483 F HN 0.266 nan 8.300 nan 0.000 0.516 484 R N 0.039 120.627 120.500 0.147 0.000 2.092 484 R HA -0.066 4.274 4.340 0.000 0.000 0.231 484 R C 2.468 178.796 176.300 0.047 0.000 1.119 484 R CA 1.130 57.289 56.100 0.098 0.000 0.970 484 R CB -0.672 29.673 30.300 0.076 0.000 0.864 484 R HN 0.255 nan 8.270 nan 0.000 0.440 485 A N 1.088 123.909 122.820 0.002 0.000 1.898 485 A HA -0.097 4.223 4.320 0.000 0.000 0.216 485 A C 2.130 179.685 177.584 -0.048 0.000 1.181 485 A CA 1.046 53.063 52.037 -0.033 0.000 0.620 485 A CB -0.495 18.467 19.000 -0.063 0.000 0.819 485 A HN 0.163 nan 8.150 nan 0.000 0.442 486 L N -0.750 120.444 121.223 -0.048 0.000 2.046 486 L HA -0.219 4.121 4.340 0.000 0.000 0.208 486 L C 3.119 180.014 176.870 0.041 0.000 1.077 486 L CA 1.168 55.989 54.840 -0.033 0.000 0.747 486 L CB -0.637 41.425 42.059 0.004 0.000 0.896 486 L HN 0.449 nan 8.230 nan 0.000 0.432 487 A N 0.088 122.964 122.820 0.094 0.000 1.902 487 A HA -0.257 4.063 4.320 0.000 0.000 0.217 487 A C 2.416 180.056 177.584 0.093 0.000 1.181 487 A CA 1.982 54.092 52.037 0.122 0.000 0.623 487 A CB -0.471 18.602 19.000 0.122 0.000 0.818 487 A HN 0.342 nan 8.150 nan 0.000 0.443 488 K N -0.562 119.865 120.400 0.045 0.000 2.057 488 K HA -0.125 4.195 4.320 0.000 0.000 0.207 488 K C 2.049 178.645 176.600 -0.006 0.000 1.049 488 K CA 1.470 57.771 56.287 0.024 0.000 0.931 488 K CB -0.610 31.893 32.500 0.005 0.000 0.714 488 K HN 0.378 nan 8.250 nan 0.000 0.440 489 G N -0.095 108.654 108.800 -0.084 0.000 2.469 489 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 489 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 489 G C 0.783 175.553 174.900 -0.217 0.000 1.136 489 G CA 0.905 45.875 45.100 -0.218 0.000 0.759 489 G HN 0.358 nan 8.290 nan 0.000 0.562 490 Y N 0.388 120.750 120.300 0.103 0.000 2.493 490 Y HA 0.390 4.940 4.550 0.000 0.000 0.275 490 Y C 1.925 177.906 175.900 0.135 0.000 1.183 490 Y CA -0.714 57.495 58.100 0.183 0.000 1.258 490 Y CB 0.116 38.687 38.460 0.185 0.000 1.108 490 Y HN 0.294 nan 8.280 nan 0.000 0.521 491 G N 0.137 109.047 108.800 0.183 0.000 2.143 491 G HA2 -0.239 3.721 3.960 0.000 0.000 0.248 491 G HA3 -0.239 3.721 3.960 0.000 0.000 0.248 491 G C -0.309 174.640 174.900 0.081 0.000 0.991 491 G CA 0.251 45.411 45.100 0.101 0.000 0.689 491 G HN 0.130 nan 8.290 nan 0.000 0.522 492 V N 0.939 120.920 119.914 0.111 0.000 2.435 492 V HA 0.457 4.577 4.120 0.000 0.000 0.290 492 V C 0.851 177.005 176.094 0.099 0.000 1.030 492 V CA -0.562 61.805 62.300 0.112 0.000 0.881 492 V CB 1.845 33.757 31.823 0.148 0.000 0.983 492 V HN 0.526 nan 8.190 nan 0.000 0.445 493 Q N 2.838 122.691 119.800 0.089 0.000 2.330 493 Q HA 0.444 4.784 4.340 0.000 0.000 0.279 493 Q C -0.300 175.756 176.000 0.092 0.000 1.024 493 Q CA 0.027 55.875 55.803 0.075 0.000 0.900 493 Q CB 0.852 29.627 28.738 0.062 0.000 1.221 493 Q HN 0.930 nan 8.270 nan 0.000 0.396 494 A N 4.911 127.779 122.820 0.079 0.000 2.386 494 A HA 0.764 5.084 4.320 0.000 0.000 0.311 494 A C -1.372 176.255 177.584 0.072 0.000 1.068 494 A CA -0.740 51.350 52.037 0.089 0.000 0.743 494 A CB 1.163 20.219 19.000 0.093 0.000 1.258 494 A HN 0.754 nan 8.150 nan 0.000 0.429 495 L N 0.631 121.899 121.223 0.075 0.000 2.327 495 L HA 0.670 5.010 4.340 0.000 0.000 0.258 495 L C -0.214 176.693 176.870 0.061 0.000 1.024 495 L CA -0.782 54.093 54.840 0.058 0.000 0.825 495 L CB 2.484 44.574 42.059 0.051 0.000 1.386 495 L HN 0.756 nan 8.230 nan 0.000 0.417 496 K N 0.724 121.153 120.400 0.048 0.000 2.371 496 K HA 0.833 5.153 4.320 0.000 0.000 0.251 496 K C -1.515 175.104 176.600 0.031 0.000 0.934 496 K CA -0.582 55.732 56.287 0.046 0.000 0.798 496 K CB 2.318 34.846 32.500 0.046 0.000 1.204 496 K HN 0.695 nan 8.250 nan 0.000 0.427 497 A N 3.189 126.023 122.820 0.025 0.000 2.410 497 A HA 0.303 4.623 4.320 0.000 0.000 0.289 497 A C -0.779 176.808 177.584 0.005 0.000 1.200 497 A CA -0.586 51.458 52.037 0.012 0.000 0.751 497 A CB 0.660 19.663 19.000 0.005 0.000 1.161 497 A HN 0.802 nan 8.150 nan 0.000 0.459 498 D N 0.962 121.365 120.400 0.005 0.000 2.367 498 D HA 0.080 4.720 4.640 0.000 0.000 0.207 498 D C 0.198 176.492 176.300 -0.010 0.000 1.034 498 D CA 1.056 55.055 54.000 -0.001 0.000 0.861 498 D CB 0.417 41.220 40.800 0.005 0.000 0.943 498 D HN 0.788 nan 8.370 nan 0.000 0.515 499 N N -1.318 117.377 118.700 -0.008 0.000 3.106 499 N HA 0.074 4.814 4.740 0.000 0.000 0.253 499 N C 0.240 175.746 175.510 -0.007 0.000 1.506 499 N CA -0.727 52.316 53.050 -0.011 0.000 0.876 499 N CB 0.988 39.473 38.487 -0.004 0.000 1.452 499 N HN -0.228 nan 8.380 nan 0.000 0.542 500 L N 0.101 121.322 121.223 -0.003 0.000 2.042 500 L HA -0.008 4.332 4.340 0.000 0.000 0.210 500 L C 2.055 178.928 176.870 0.005 0.000 1.076 500 L CA 2.018 56.859 54.840 0.002 0.000 0.749 500 L CB -0.819 41.246 42.059 0.010 0.000 0.893 500 L HN 0.893 nan 8.230 nan 0.000 0.432 501 E N -1.049 119.155 120.200 0.007 0.000 2.058 501 E HA -0.290 4.060 4.350 0.000 0.000 0.194 501 E C 2.096 178.701 176.600 0.008 0.000 0.997 501 E CA 1.678 58.083 56.400 0.008 0.000 0.801 501 E CB -0.132 29.573 29.700 0.008 0.000 0.746 501 E HN 0.698 nan 8.360 nan 0.000 0.450 502 Q N 0.016 119.820 119.800 0.007 0.000 2.119 502 Q HA -0.154 4.186 4.340 0.000 0.000 0.201 502 Q C 2.346 178.351 176.000 0.009 0.000 0.972 502 Q CA 0.945 56.753 55.803 0.009 0.000 0.847 502 Q CB -0.105 28.638 28.738 0.009 0.000 0.903 502 Q HN 0.269 nan 8.270 nan 0.000 0.433 503 L N 1.456 122.682 121.223 0.005 0.000 2.017 503 L HA -0.209 4.131 4.340 0.000 0.000 0.208 503 L C 1.847 178.722 176.870 0.009 0.000 1.073 503 L CA 1.915 56.757 54.840 0.003 0.000 0.745 503 L CB -0.275 41.779 42.059 -0.007 0.000 0.894 503 L HN -0.017 nan 8.230 nan 0.000 0.432 504 K N -0.657 119.749 120.400 0.010 0.000 2.057 504 K HA -0.086 4.234 4.320 0.000 0.000 0.207 504 K C 2.018 178.626 176.600 0.014 0.000 1.049 504 K CA 1.228 57.523 56.287 0.013 0.000 0.931 504 K CB -0.744 31.764 32.500 0.013 0.000 0.714 504 K HN 0.564 nan 8.250 nan 0.000 0.440 505 G N 0.784 109.592 108.800 0.013 0.000 2.421 505 G HA2 -0.233 3.727 3.960 0.000 0.000 0.216 505 G HA3 -0.233 3.727 3.960 0.000 0.000 0.216 505 G C 1.552 176.461 174.900 0.016 0.000 1.171 505 G CA 0.845 45.953 45.100 0.013 0.000 0.775 505 G HN 0.181 nan 8.290 nan 0.000 0.543 506 S N 0.475 116.185 115.700 0.017 0.000 2.370 506 S HA -0.027 4.443 4.470 0.000 0.000 0.226 506 S C 2.294 176.907 174.600 0.022 0.000 1.033 506 S CA 0.833 59.047 58.200 0.022 0.000 1.011 506 S CB -0.256 62.959 63.200 0.025 0.000 0.852 506 S HN 0.292 nan 8.310 nan 0.000 0.457 507 L N 1.122 122.358 121.223 0.021 0.000 2.056 507 L HA -0.168 4.172 4.340 0.000 0.000 0.207 507 L C 2.767 179.647 176.870 0.017 0.000 1.078 507 L CA 1.203 56.056 54.840 0.021 0.000 0.749 507 L CB -0.491 41.584 42.059 0.025 0.000 0.901 507 L HN 0.361 nan 8.230 nan 0.000 0.433 508 Q N -0.381 119.429 119.800 0.015 0.000 2.061 508 Q HA -0.288 4.052 4.340 0.000 0.000 0.204 508 Q C 2.144 178.150 176.000 0.010 0.000 0.984 508 Q CA 1.950 57.760 55.803 0.012 0.000 0.846 508 Q CB -0.111 28.634 28.738 0.011 0.000 0.902 508 Q HN 0.453 nan 8.270 nan 0.000 0.421 509 E N 0.098 120.306 120.200 0.013 0.000 2.051 509 E HA -0.218 4.132 4.350 0.000 0.000 0.192 509 E C 1.950 178.557 176.600 0.013 0.000 0.991 509 E CA 0.969 57.377 56.400 0.013 0.000 0.799 509 E CB -0.094 29.616 29.700 0.017 0.000 0.748 509 E HN 0.360 nan 8.360 nan 0.000 0.449 510 A N 0.989 123.818 122.820 0.015 0.000 1.883 510 A HA -0.191 4.129 4.320 0.000 0.000 0.217 510 A C 2.191 179.775 177.584 -0.001 0.000 1.186 510 A CA 1.339 53.383 52.037 0.012 0.000 0.624 510 A CB -0.771 18.239 19.000 0.017 0.000 0.822 510 A HN 0.319 nan 8.150 nan 0.000 0.444 511 L N -0.391 120.831 121.223 -0.002 0.000 2.275 511 L HA -0.108 4.232 4.340 0.000 0.000 0.215 511 L C 2.217 179.081 176.870 -0.010 0.000 1.119 511 L CA 1.249 56.083 54.840 -0.011 0.000 0.790 511 L CB -0.158 41.898 42.059 -0.006 0.000 0.919 511 L HN 0.305 nan 8.230 nan 0.000 0.443 512 S N -0.636 115.062 115.700 -0.003 0.000 2.548 512 S HA 0.250 4.720 4.470 0.000 0.000 0.215 512 S C 0.994 175.592 174.600 -0.002 0.000 0.976 512 S CA 0.003 58.202 58.200 -0.003 0.000 0.908 512 S CB 0.068 63.268 63.200 0.001 0.000 0.781 512 S HN 0.351 nan 8.310 nan 0.000 0.519 513 A N 1.858 124.678 122.820 -0.001 0.000 2.448 513 A HA 0.286 4.606 4.320 0.000 0.000 0.239 513 A C 0.842 178.425 177.584 -0.002 0.000 1.080 513 A CA 0.117 52.156 52.037 0.002 0.000 0.779 513 A CB 0.273 19.278 19.000 0.008 0.000 1.026 513 A HN 0.076 nan 8.150 nan 0.000 0.499 514 K N 0.583 120.983 120.400 0.001 0.000 2.514 514 K HA 0.297 4.617 4.320 0.000 0.000 0.207 514 K C 0.412 177.012 176.600 -0.000 0.000 1.035 514 K CA 0.736 57.021 56.287 -0.002 0.000 1.113 514 K CB 0.368 32.867 32.500 -0.002 0.000 0.846 514 K HN 0.872 nan 8.250 nan 0.000 0.491 515 G N 1.429 110.231 108.800 0.004 0.000 2.663 515 G HA2 0.361 4.321 3.960 0.000 0.000 0.299 515 G HA3 0.361 4.321 3.960 0.000 0.000 0.299 515 G C -3.154 171.759 174.900 0.023 0.000 1.372 515 G CA -0.923 44.184 45.100 0.012 0.000 0.781 515 G HN -0.234 nan 8.290 nan 0.000 0.491 516 P HA 0.415 nan 4.420 nan 0.000 0.271 516 P C -0.733 176.644 177.300 0.128 0.000 1.218 516 P CA -0.061 63.095 63.100 0.094 0.000 0.780 516 P CB 1.718 33.541 31.700 0.205 0.000 0.901 517 V N 3.770 123.767 119.914 0.137 0.000 2.841 517 V HA 0.406 4.526 4.120 0.000 0.000 0.310 517 V C -0.054 176.192 176.094 0.253 0.000 1.090 517 V CA -0.810 61.581 62.300 0.151 0.000 0.930 517 V CB 2.220 34.087 31.823 0.074 0.000 1.014 517 V HN 0.479 nan 8.190 nan 0.000 0.425 518 L N 5.253 126.621 121.223 0.241 0.000 2.341 518 L HA 0.727 5.067 4.340 0.000 0.000 0.278 518 L C -1.192 175.772 176.870 0.157 0.000 1.005 518 L CA -0.310 54.685 54.840 0.258 0.000 0.818 518 L CB 1.373 43.563 42.059 0.219 0.000 1.259 518 L HN 0.615 nan 8.230 nan 0.000 0.418 519 I N 4.499 125.149 120.570 0.133 0.000 2.410 519 I HA 0.335 4.505 4.170 0.000 0.000 0.286 519 I C -0.417 175.738 176.117 0.063 0.000 1.009 519 I CA -0.466 60.885 61.300 0.085 0.000 1.111 519 I CB 1.856 39.893 38.000 0.062 0.000 1.262 519 I HN 0.621 nan 8.210 nan 0.000 0.443 520 E N 6.398 126.638 120.200 0.067 0.000 2.130 520 E HA 0.403 4.753 4.350 0.000 0.000 0.284 520 E C -1.355 175.262 176.600 0.028 0.000 1.018 520 E CA -0.509 55.921 56.400 0.050 0.000 0.817 520 E CB 1.297 31.076 29.700 0.131 0.000 1.078 520 E HN 0.368 nan 8.360 nan 0.000 0.396 521 V N 3.955 123.865 119.914 -0.006 0.000 2.398 521 V HA 0.184 4.304 4.120 0.000 0.000 0.286 521 V C -0.204 175.880 176.094 -0.017 0.000 1.026 521 V CA -0.798 61.492 62.300 -0.016 0.000 0.868 521 V CB 1.745 33.543 31.823 -0.042 0.000 0.982 521 V HN 0.655 nan 8.190 nan 0.000 0.443 522 S N 3.704 119.398 115.700 -0.011 0.000 2.405 522 S HA 0.409 4.879 4.470 0.000 0.000 0.291 522 S C 0.447 175.025 174.600 -0.037 0.000 1.137 522 S CA -0.566 57.628 58.200 -0.009 0.000 1.061 522 S CB 0.392 63.590 63.200 -0.004 0.000 1.001 522 S HN 0.956 nan 8.310 nan 0.000 0.507 523 T N -0.544 113.988 114.554 -0.037 0.000 2.945 523 T HA 0.673 5.023 4.350 0.000 0.000 0.286 523 T C 0.698 175.364 174.700 -0.056 0.000 1.025 523 T CA -0.988 61.076 62.100 -0.060 0.000 1.039 523 T CB 0.855 69.692 68.868 -0.051 0.000 1.068 523 T HN 0.414 nan 8.240 nan 0.000 0.497 524 V N 0.000 119.855 119.914 -0.098 0.000 2.409 524 V HA 0.000 4.120 4.120 0.000 0.000 0.244 524 V CA 0.000 62.249 62.300 -0.084 0.000 1.235 524 V CB 0.000 31.721 31.823 -0.170 0.000 1.184 524 V HN 0.000 nan 8.190 nan 0.000 0.556