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 2ywb_1_A DATA FIRST_RESID 1 DATA SEQUENCE MVLVLDFGSQ YTRLIARRLR ELRAFSLILP GDAPLEEVLK HRPQALILSG DATA SEQUENCE GPRSVFDPDA PRPDPRLFSS GLPLLGICYG MQLLAQELGG RVERXXXAEY DATA SEQUENCE GKALLTRHEG PLFRGLEGEV QVWMSHQDAV TAPPPGWRVV AETEENPVAA DATA SEQUENCE IASPDGRAYG VQFHPEVAHT PKGMQILENF LELAGVKRDW TPEHVLEELL DATA SEQUENCE REVRERAGKD RVLLAVSGGV DSSTLALLLA KAGVDHLAVF VDHGLLRLGE DATA SEQUENCE REEVEGALRA LGVNLLVVDA KERFLKALKG VEDPEEKRKI IGREFVAAFS DATA SEQUENCE QVARERGPFR FLAQGTLYPD VIEXXXXXXX XXXXXXXXXX GLPEDLEFEL DATA SEQUENCE LEPFRLLFKD EVRELALLLG LPDTLRLRHP FPGPGLAVRV LGEVTEERLE DATA SEQUENCE ILRRADDIFT SLLREWGLYE KVAQALAVLT PVXXXXXXXX XXXXGYVLAL DATA SEQUENCE RAVTTEDFMT ADWARLPLEF LDEAARRITR RVPEIGRVVY DLTSKPPATI DATA SEQUENCE EWE 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.323 176.300 0.038 0.000 1.140 1 M CA 0.000 55.376 55.300 0.127 0.000 0.988 1 M CB 0.000 32.703 32.600 0.172 0.000 1.302 2 V N 5.120 125.012 119.914 -0.038 0.000 2.487 2 V HA 0.632 4.752 4.120 -0.000 0.000 0.298 2 V C -0.845 175.200 176.094 -0.082 0.000 1.028 2 V CA -0.799 61.487 62.300 -0.023 0.000 0.860 2 V CB 1.982 33.808 31.823 0.005 0.000 0.991 2 V HN 0.783 nan 8.190 nan 0.000 0.427 3 L N 6.152 127.347 121.223 -0.047 0.000 2.275 3 L HA 0.540 4.880 4.340 -0.000 0.000 0.288 3 L C -0.324 176.514 176.870 -0.054 0.000 1.046 3 L CA 0.024 54.811 54.840 -0.088 0.000 0.805 3 L CB 1.715 43.723 42.059 -0.085 0.000 1.193 3 L HN 0.449 nan 8.230 nan 0.000 0.426 4 V N 6.995 126.865 119.914 -0.073 0.000 2.348 4 V HA 0.257 4.377 4.120 -0.000 0.000 0.270 4 V C 0.511 176.558 176.094 -0.078 0.000 1.037 4 V CA -0.554 61.722 62.300 -0.039 0.000 0.872 4 V CB 1.331 33.142 31.823 -0.020 0.000 1.002 4 V HN 0.540 nan 8.190 nan 0.000 0.464 5 L N 4.467 125.645 121.223 -0.075 0.000 2.315 5 L HA 0.313 4.653 4.340 -0.000 0.000 0.283 5 L C 0.254 176.908 176.870 -0.361 0.000 1.089 5 L CA -0.223 54.476 54.840 -0.235 0.000 0.833 5 L CB 0.702 42.649 42.059 -0.187 0.000 1.170 5 L HN 0.587 nan 8.230 nan 0.000 0.442 6 D N 3.121 123.278 120.400 -0.406 0.000 2.339 6 D HA 0.121 4.761 4.640 -0.000 0.000 0.241 6 D C -0.038 175.971 176.300 -0.484 0.000 1.183 6 D CA -0.007 53.806 54.000 -0.311 0.000 0.859 6 D CB 0.519 41.210 40.800 -0.181 0.000 1.067 6 D HN 0.199 nan 8.370 nan 0.000 0.484 7 F N 1.967 121.908 119.950 -0.016 0.000 2.668 7 F HA 0.336 4.863 4.527 -0.000 0.000 0.297 7 F C 1.906 177.596 175.800 -0.183 0.000 1.124 7 F CA -0.009 57.929 58.000 -0.103 0.000 1.353 7 F CB 0.627 39.576 39.000 -0.085 0.000 0.992 7 F HN 0.640 nan 8.300 nan 0.000 0.524 8 G N -0.436 108.355 108.800 -0.015 0.000 2.213 8 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.226 8 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.226 8 G C 0.552 175.448 174.900 -0.008 0.000 0.992 8 G CA 0.103 45.183 45.100 -0.034 0.000 0.632 8 G HN 0.411 nan 8.290 nan 0.000 0.511 9 S N 0.709 116.440 115.700 0.053 0.000 2.558 9 S HA 0.263 4.732 4.470 -0.000 0.000 0.291 9 S C 1.929 176.519 174.600 -0.017 0.000 1.306 9 S CA 1.005 59.255 58.200 0.083 0.000 1.056 9 S CB 0.736 64.074 63.200 0.231 0.000 0.836 9 S HN 0.779 nan 8.310 nan 0.000 0.504 10 Q N 3.344 123.049 119.800 -0.159 0.000 2.364 10 Q HA -0.122 4.218 4.340 -0.000 0.000 0.207 10 Q C 0.354 176.200 176.000 -0.258 0.000 0.970 10 Q CA 1.591 57.233 55.803 -0.269 0.000 0.888 10 Q CB -0.358 28.119 28.738 -0.435 0.000 0.951 10 Q HN 0.912 nan 8.270 nan 0.000 0.469 11 Y N 0.814 121.135 120.300 0.036 0.000 2.457 11 Y HA 0.211 4.761 4.550 -0.000 0.000 0.263 11 Y C 2.001 177.929 175.900 0.047 0.000 1.164 11 Y CA 0.204 58.318 58.100 0.023 0.000 1.274 11 Y CB 0.066 38.515 38.460 -0.019 0.000 1.097 11 Y HN 0.073 nan 8.280 nan 0.000 0.523 12 T N 0.021 114.669 114.554 0.158 0.000 2.665 12 T HA -0.285 4.065 4.350 -0.000 0.000 0.268 12 T C 2.095 176.849 174.700 0.090 0.000 1.035 12 T CA 1.962 64.128 62.100 0.109 0.000 1.151 12 T CB -0.103 68.794 68.868 0.049 0.000 0.862 12 T HN 0.338 nan 8.240 nan 0.000 0.438 13 R N 0.181 120.730 120.500 0.082 0.000 2.092 13 R HA -0.027 4.313 4.340 -0.000 0.000 0.231 13 R C 2.379 178.711 176.300 0.053 0.000 1.119 13 R CA 0.966 57.128 56.100 0.102 0.000 0.970 13 R CB -0.446 29.911 30.300 0.096 0.000 0.864 13 R HN 0.265 nan 8.270 nan 0.000 0.440 14 L N 1.117 122.375 121.223 0.059 0.000 2.042 14 L HA -0.134 4.205 4.340 -0.000 0.000 0.210 14 L C 1.888 178.740 176.870 -0.031 0.000 1.076 14 L CA 1.673 56.516 54.840 0.006 0.000 0.749 14 L CB -0.341 41.803 42.059 0.140 0.000 0.893 14 L HN 0.248 nan 8.230 nan 0.000 0.432 15 I N -0.421 120.171 120.570 0.038 0.000 2.163 15 I HA -0.315 3.855 4.170 -0.000 0.000 0.243 15 I C 2.573 178.680 176.117 -0.016 0.000 1.085 15 I CA 1.278 62.592 61.300 0.022 0.000 1.347 15 I CB -0.733 37.303 38.000 0.059 0.000 1.044 15 I HN 0.352 nan 8.210 nan 0.000 0.408 16 A N 0.517 123.345 122.820 0.013 0.000 2.024 16 A HA -0.244 4.075 4.320 -0.000 0.000 0.220 16 A C 2.457 180.010 177.584 -0.051 0.000 1.164 16 A CA 1.666 53.727 52.037 0.041 0.000 0.643 16 A CB -0.652 18.483 19.000 0.224 0.000 0.806 16 A HN 0.379 nan 8.150 nan 0.000 0.451 17 R N -1.004 119.311 120.500 -0.309 0.000 2.093 17 R HA -0.075 4.265 4.340 -0.000 0.000 0.224 17 R C 2.136 178.246 176.300 -0.316 0.000 1.101 17 R CA 0.769 56.452 56.100 -0.696 0.000 0.979 17 R CB -0.141 29.571 30.300 -0.980 0.000 0.877 17 R HN 0.306 nan 8.270 nan 0.000 0.441 18 R N 0.787 121.183 120.500 -0.174 0.000 2.096 18 R HA -0.081 4.259 4.340 -0.000 0.000 0.235 18 R C 2.282 178.557 176.300 -0.041 0.000 1.127 18 R CA 0.969 57.021 56.100 -0.081 0.000 0.968 18 R CB -0.857 29.420 30.300 -0.037 0.000 0.861 18 R HN 0.322 nan 8.270 nan 0.000 0.440 19 L N 0.593 121.791 121.223 -0.041 0.000 2.131 19 L HA -0.125 4.215 4.340 -0.000 0.000 0.210 19 L C 2.533 179.398 176.870 -0.008 0.000 1.092 19 L CA 1.099 55.928 54.840 -0.017 0.000 0.759 19 L CB -0.341 41.694 42.059 -0.039 0.000 0.903 19 L HN 0.039 nan 8.230 nan 0.000 0.435 20 R N 0.649 121.134 120.500 -0.025 0.000 2.066 20 R HA -0.109 4.231 4.340 -0.000 0.000 0.232 20 R C 1.875 178.267 176.300 0.154 0.000 1.131 20 R CA 1.114 57.256 56.100 0.071 0.000 0.955 20 R CB -0.689 29.695 30.300 0.141 0.000 0.851 20 R HN 0.491 nan 8.270 nan 0.000 0.432 21 E N 0.697 120.931 120.200 0.056 0.000 2.463 21 E HA -0.072 4.277 4.350 -0.000 0.000 0.201 21 E C 0.839 177.478 176.600 0.064 0.000 1.045 21 E CA 0.466 56.898 56.400 0.054 0.000 0.872 21 E CB 0.020 29.720 29.700 -0.000 0.000 0.797 21 E HN 0.251 nan 8.360 nan 0.000 0.538 22 L N 0.637 121.903 121.223 0.071 0.000 3.066 22 L HA 0.233 4.573 4.340 -0.000 0.000 0.265 22 L C -0.306 176.621 176.870 0.095 0.000 1.232 22 L CA -0.461 54.418 54.840 0.065 0.000 1.031 22 L CB 0.396 42.481 42.059 0.044 0.000 1.379 22 L HN -0.033 nan 8.230 nan 0.000 0.563 23 R N -0.853 119.743 120.500 0.160 0.000 3.525 23 R HA -0.178 4.162 4.340 -0.000 0.000 0.276 23 R C -0.064 176.374 176.300 0.230 0.000 1.116 23 R CA 0.858 57.095 56.100 0.229 0.000 0.745 23 R CB -2.738 27.648 30.300 0.142 0.000 1.185 23 R HN 0.339 nan 8.270 nan 0.000 0.454 24 A N 0.742 123.668 122.820 0.176 0.000 2.310 24 A HA 0.574 4.893 4.320 -0.000 0.000 0.304 24 A C -0.252 177.337 177.584 0.008 0.000 1.231 24 A CA -0.750 51.356 52.037 0.115 0.000 0.799 24 A CB 0.563 19.593 19.000 0.051 0.000 1.162 24 A HN 0.215 nan 8.150 nan 0.000 0.486 25 F N 3.804 123.661 119.950 -0.155 0.000 2.607 25 F HA 0.353 4.880 4.527 -0.000 0.000 0.374 25 F C 0.781 176.372 175.800 -0.348 0.000 1.104 25 F CA 0.800 58.461 58.000 -0.565 0.000 1.296 25 F CB 0.670 39.382 39.000 -0.481 0.000 1.085 25 F HN 0.579 nan 8.300 nan 0.000 0.584 26 S N 6.498 121.502 115.700 -1.161 0.000 2.542 26 S HA 0.825 5.294 4.470 -0.000 0.000 0.293 26 S C -1.481 172.511 174.600 -1.013 0.000 1.089 26 S CA -0.919 56.817 58.200 -0.772 0.000 0.961 26 S CB 2.154 65.132 63.200 -0.369 0.000 1.062 26 S HN 0.667 nan 8.310 nan 0.000 0.483 27 L N 1.728 122.604 121.223 -0.578 0.000 2.388 27 L HA 0.659 4.999 4.340 -0.000 0.000 0.264 27 L C -1.139 175.633 176.870 -0.164 0.000 0.998 27 L CA -0.816 53.784 54.840 -0.400 0.000 0.817 27 L CB 1.906 43.748 42.059 -0.362 0.000 1.338 27 L HN 0.873 nan 8.230 nan 0.000 0.414 28 I N 3.784 124.344 120.570 -0.016 0.000 2.412 28 I HA 0.472 4.642 4.170 -0.000 0.000 0.296 28 I C -1.016 175.045 176.117 -0.094 0.000 0.987 28 I CA -0.650 60.625 61.300 -0.042 0.000 1.180 28 I CB 1.664 39.662 38.000 -0.003 0.000 1.340 28 I HN 0.319 nan 8.210 nan 0.000 0.455 29 L N 7.820 128.962 121.223 -0.135 0.000 2.371 29 L HA 0.588 4.927 4.340 -0.000 0.000 0.262 29 L C -2.482 174.277 176.870 -0.185 0.000 1.006 29 L CA -1.666 53.084 54.840 -0.150 0.000 0.818 29 L CB 2.122 44.082 42.059 -0.165 0.000 1.354 29 L HN 0.270 nan 8.230 nan 0.000 0.415 30 P HA 0.105 nan 4.420 nan 0.000 0.267 30 P C 0.551 177.663 177.300 -0.312 0.000 1.200 30 P CA 0.116 63.096 63.100 -0.201 0.000 0.772 30 P CB 0.728 32.354 31.700 -0.123 0.000 0.855 31 G N 2.740 111.229 108.800 -0.519 0.000 2.476 31 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.218 31 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.218 31 G C 0.428 175.157 174.900 -0.285 0.000 1.164 31 G CA 0.926 45.450 45.100 -0.960 0.000 0.768 31 G HN 0.658 nan 8.290 nan 0.000 0.560 32 D N 0.686 121.037 120.400 -0.082 0.000 2.856 32 D HA 0.481 5.120 4.640 -0.000 0.000 0.242 32 D C 0.623 176.914 176.300 -0.015 0.000 1.226 32 D CA -0.039 53.977 54.000 0.027 0.000 0.855 32 D CB -0.057 40.778 40.800 0.058 0.000 1.065 32 D HN 0.314 nan 8.370 nan 0.000 0.462 33 A N 1.948 124.735 122.820 -0.055 0.000 2.362 33 A HA 0.421 4.741 4.320 -0.000 0.000 0.276 33 A C -1.960 175.612 177.584 -0.019 0.000 1.153 33 A CA -1.394 50.616 52.037 -0.045 0.000 0.813 33 A CB 0.214 19.168 19.000 -0.076 0.000 1.081 33 A HN 0.252 nan 8.150 nan 0.000 0.507 34 P HA -0.064 nan 4.420 nan 0.000 0.265 34 P C 0.998 178.301 177.300 0.005 0.000 1.193 34 P CA -0.240 62.864 63.100 0.007 0.000 0.765 34 P CB 0.652 32.360 31.700 0.014 0.000 0.823 35 L N 3.665 124.891 121.223 0.004 0.000 2.064 35 L HA -0.276 4.064 4.340 -0.000 0.000 0.216 35 L C 2.138 179.018 176.870 0.016 0.000 1.077 35 L CA 2.229 57.071 54.840 0.002 0.000 0.766 35 L CB -1.139 40.923 42.059 0.005 0.000 0.890 35 L HN 0.287 nan 8.230 nan 0.000 0.435 36 E N -0.238 119.975 120.200 0.022 0.000 2.031 36 E HA -0.264 4.086 4.350 -0.000 0.000 0.193 36 E C 2.182 178.810 176.600 0.046 0.000 0.994 36 E CA 1.578 57.996 56.400 0.030 0.000 0.800 36 E CB -0.316 29.400 29.700 0.027 0.000 0.752 36 E HN 0.702 nan 8.360 nan 0.000 0.447 37 E N 0.260 120.487 120.200 0.046 0.000 2.153 37 E HA -0.166 4.183 4.350 -0.000 0.000 0.194 37 E C 1.886 178.546 176.600 0.100 0.000 0.988 37 E CA 1.454 57.898 56.400 0.074 0.000 0.811 37 E CB 0.112 29.842 29.700 0.049 0.000 0.746 37 E HN 0.261 nan 8.360 nan 0.000 0.466 38 V N -1.451 118.492 119.914 0.047 0.000 2.951 38 V HA -0.012 4.107 4.120 -0.000 0.000 0.255 38 V C 1.949 178.084 176.094 0.068 0.000 1.088 38 V CA 0.831 63.145 62.300 0.024 0.000 1.109 38 V CB -0.248 31.563 31.823 -0.020 0.000 0.724 38 V HN 0.210 nan 8.190 nan 0.000 0.471 39 L N 0.820 122.086 121.223 0.071 0.000 2.375 39 L HA 0.074 4.414 4.340 -0.000 0.000 0.215 39 L C 2.736 179.659 176.870 0.089 0.000 1.108 39 L CA 1.215 56.096 54.840 0.069 0.000 0.830 39 L CB -0.434 41.651 42.059 0.043 0.000 0.959 39 L HN 0.429 nan 8.230 nan 0.000 0.457 40 K N -0.569 119.897 120.400 0.111 0.000 2.209 40 K HA -0.196 4.123 4.320 -0.000 0.000 0.204 40 K C 1.246 177.853 176.600 0.011 0.000 1.048 40 K CA 1.539 57.859 56.287 0.055 0.000 0.940 40 K CB -0.398 32.120 32.500 0.031 0.000 0.729 40 K HN 0.337 nan 8.250 nan 0.000 0.451 41 H N 0.464 119.550 119.070 0.027 0.000 2.539 41 H HA 0.222 4.778 4.556 -0.000 0.000 0.267 41 H C -0.108 175.244 175.328 0.041 0.000 0.982 41 H CA 0.006 56.077 56.048 0.040 0.000 1.146 41 H CB 0.296 30.083 29.762 0.042 0.000 1.382 41 H HN 0.080 nan 8.280 nan 0.000 0.577 42 R N 1.294 121.871 120.500 0.128 0.000 3.127 42 R HA -0.108 4.232 4.340 -0.000 0.000 0.247 42 R C -2.787 173.568 176.300 0.092 0.000 0.896 42 R CA 0.058 56.209 56.100 0.085 0.000 0.624 42 R CB -1.588 28.747 30.300 0.059 0.000 1.154 42 R HN 0.375 nan 8.270 nan 0.000 0.474 43 P HA 0.086 nan 4.420 nan 0.000 0.275 43 P C 0.339 177.671 177.300 0.053 0.000 1.227 43 P CA -0.191 62.950 63.100 0.069 0.000 0.781 43 P CB 0.653 32.380 31.700 0.046 0.000 0.906 44 Q N 0.879 120.707 119.800 0.047 0.000 2.269 44 Q HA 0.183 4.523 4.340 -0.000 0.000 0.201 44 Q C 0.601 176.621 176.000 0.033 0.000 0.946 44 Q CA 0.784 56.605 55.803 0.030 0.000 0.877 44 Q CB 0.282 29.030 28.738 0.015 0.000 0.963 44 Q HN 0.636 nan 8.270 nan 0.000 0.472 45 A N 0.036 122.891 122.820 0.059 0.000 2.609 45 A HA 0.705 5.025 4.320 -0.000 0.000 0.291 45 A C -1.765 175.899 177.584 0.134 0.000 1.096 45 A CA -0.700 51.408 52.037 0.118 0.000 0.684 45 A CB 1.184 20.270 19.000 0.143 0.000 1.282 45 A HN 0.131 nan 8.150 nan 0.000 0.412 46 L N 0.621 121.955 121.223 0.185 0.000 2.381 46 L HA 0.655 4.995 4.340 -0.000 0.000 0.268 46 L C -1.046 175.906 176.870 0.137 0.000 0.997 46 L CA -0.384 54.530 54.840 0.122 0.000 0.818 46 L CB 2.059 44.167 42.059 0.081 0.000 1.310 46 L HN 0.592 nan 8.230 nan 0.000 0.416 47 I N 3.471 124.088 120.570 0.077 0.000 2.447 47 I HA 0.303 4.473 4.170 -0.000 0.000 0.287 47 I C -1.070 175.101 176.117 0.090 0.000 1.023 47 I CA -0.657 60.655 61.300 0.020 0.000 1.083 47 I CB 2.140 40.131 38.000 -0.015 0.000 1.245 47 I HN 0.308 nan 8.210 nan 0.000 0.434 48 L N 6.187 127.497 121.223 0.145 0.000 2.260 48 L HA 0.296 4.636 4.340 -0.000 0.000 0.289 48 L C 0.775 177.828 176.870 0.305 0.000 1.057 48 L CA 0.164 55.212 54.840 0.347 0.000 0.811 48 L CB 1.196 43.472 42.059 0.361 0.000 1.184 48 L HN 0.654 nan 8.230 nan 0.000 0.429 49 S N 1.791 117.725 115.700 0.391 0.000 2.617 49 S HA 0.645 5.115 4.470 -0.000 0.000 0.259 49 S C 0.641 175.468 174.600 0.379 0.000 1.301 49 S CA -0.255 58.132 58.200 0.311 0.000 0.984 49 S CB 0.947 64.290 63.200 0.239 0.000 0.954 49 S HN 0.686 nan 8.310 nan 0.000 0.572 50 G N -0.665 108.336 108.800 0.335 0.000 2.553 50 G HA2 0.583 4.543 3.960 -0.000 0.000 0.278 50 G HA3 0.583 4.543 3.960 -0.000 0.000 0.278 50 G C 0.157 175.210 174.900 0.256 0.000 1.349 50 G CA -0.504 44.805 45.100 0.348 0.000 1.037 50 G HN 1.348 nan 8.290 nan 0.000 0.508 51 G N -1.996 106.892 108.800 0.147 0.000 2.632 51 G HA2 0.564 4.523 3.960 -0.000 0.000 0.292 51 G HA3 0.564 4.523 3.960 -0.000 0.000 0.292 51 G C -1.907 172.965 174.900 -0.046 0.000 1.465 51 G CA -0.226 44.822 45.100 -0.085 0.000 0.824 51 G HN 0.378 nan 8.290 nan 0.000 0.509 52 P HA 0.027 nan 4.420 nan 0.000 0.225 52 P C 0.532 177.805 177.300 -0.045 0.000 1.156 52 P CA 0.342 63.417 63.100 -0.042 0.000 0.787 52 P CB 0.622 32.296 31.700 -0.044 0.000 0.802 53 R N -0.131 120.316 120.500 -0.088 0.000 2.596 53 R HA 0.478 4.818 4.340 -0.000 0.000 0.267 53 R C 0.581 176.914 176.300 0.054 0.000 1.026 53 R CA -0.527 55.554 56.100 -0.032 0.000 1.087 53 R CB 0.747 31.020 30.300 -0.045 0.000 1.132 53 R HN -0.049 nan 8.270 nan 0.000 0.531 54 S N -0.223 115.536 115.700 0.097 0.000 2.617 54 S HA 0.082 4.552 4.470 -0.000 0.000 0.269 54 S C 1.235 175.881 174.600 0.076 0.000 1.292 54 S CA -0.818 57.441 58.200 0.098 0.000 1.010 54 S CB 1.108 64.376 63.200 0.113 0.000 0.944 54 S HN 0.386 nan 8.310 nan 0.000 0.536 55 V N 3.695 123.458 119.914 -0.252 0.000 3.241 55 V HA -0.017 4.103 4.120 -0.000 0.000 0.269 55 V C 0.973 176.784 176.094 -0.472 0.000 1.151 55 V CA 1.367 63.376 62.300 -0.486 0.000 1.158 55 V CB -1.360 29.953 31.823 -0.849 0.000 0.764 55 V HN 0.803 nan 8.190 nan 0.000 0.508 56 F N -1.232 118.737 119.950 0.031 0.000 2.653 56 F HA 0.312 4.839 4.527 -0.000 0.000 0.288 56 F C 1.178 176.998 175.800 0.033 0.000 1.121 56 F CA -0.958 57.051 58.000 0.016 0.000 1.384 56 F CB -0.143 38.858 39.000 0.002 0.000 1.115 56 F HN 0.041 nan 8.300 nan 0.000 0.599 57 D N 2.927 123.443 120.400 0.193 0.000 2.520 57 D HA -0.052 4.588 4.640 -0.000 0.000 0.243 57 D C -1.708 174.656 176.300 0.107 0.000 1.160 57 D CA -0.791 53.288 54.000 0.131 0.000 0.877 57 D CB 1.364 42.223 40.800 0.098 0.000 1.150 57 D HN 0.024 nan 8.370 nan 0.000 0.494 58 P HA -0.107 nan 4.420 nan 0.000 0.216 58 P C -0.215 177.124 177.300 0.065 0.000 1.150 58 P CA 1.072 64.215 63.100 0.072 0.000 0.837 58 P CB 0.206 31.940 31.700 0.055 0.000 0.786 59 D N -0.705 119.729 120.400 0.056 0.000 3.038 59 D HA 0.315 4.955 4.640 -0.000 0.000 0.243 59 D C -0.094 176.236 176.300 0.050 0.000 1.245 59 D CA 0.064 54.092 54.000 0.046 0.000 0.871 59 D CB -0.611 40.207 40.800 0.031 0.000 1.089 59 D HN 0.078 nan 8.370 nan 0.000 0.464 60 A N 1.946 124.813 122.820 0.078 0.000 2.304 60 A HA 0.534 4.854 4.320 -0.000 0.000 0.314 60 A C -2.345 175.331 177.584 0.152 0.000 1.187 60 A CA -1.587 50.508 52.037 0.098 0.000 0.810 60 A CB 0.905 20.001 19.000 0.161 0.000 1.183 60 A HN 0.002 nan 8.150 nan 0.000 0.487 61 P HA 0.095 nan 4.420 nan 0.000 0.262 61 P C -0.827 176.711 177.300 0.396 0.000 1.182 61 P CA 0.271 63.525 63.100 0.255 0.000 0.761 61 P CB 0.505 32.366 31.700 0.268 0.000 0.795 62 R N 4.150 124.833 120.500 0.306 0.000 2.664 62 R HA 0.550 4.890 4.340 -0.000 0.000 0.286 62 R C -2.035 174.462 176.300 0.329 0.000 0.967 62 R CA -2.179 54.087 56.100 0.275 0.000 0.933 62 R CB 1.275 31.672 30.300 0.161 0.000 1.146 62 R HN 0.411 nan 8.270 nan 0.000 0.468 63 P HA 0.045 nan 4.420 nan 0.000 0.302 63 P C -0.712 176.648 177.300 0.099 0.000 1.307 63 P CA -0.396 62.849 63.100 0.241 0.000 0.754 63 P CB 0.608 32.410 31.700 0.169 0.000 1.298 64 D N -0.108 120.300 120.400 0.014 0.000 2.336 64 D HA 0.111 4.751 4.640 -0.000 0.000 0.249 64 D C -1.521 174.777 176.300 -0.002 0.000 1.213 64 D CA -1.982 52.024 54.000 0.010 0.000 0.870 64 D CB 0.610 41.404 40.800 -0.010 0.000 1.076 64 D HN -0.010 nan 8.370 nan 0.000 0.483 65 P HA -0.218 nan 4.420 nan 0.000 0.222 65 P C 1.005 178.369 177.300 0.107 0.000 1.159 65 P CA 1.590 64.765 63.100 0.125 0.000 0.920 65 P CB 0.154 31.915 31.700 0.101 0.000 0.793 66 R N -1.514 119.018 120.500 0.054 0.000 2.293 66 R HA -0.093 4.246 4.340 -0.000 0.000 0.219 66 R C 2.112 178.416 176.300 0.006 0.000 1.091 66 R CA 0.374 56.501 56.100 0.045 0.000 1.004 66 R CB -0.932 29.387 30.300 0.032 0.000 0.865 66 R HN 0.191 nan 8.270 nan 0.000 0.469 67 L N 0.172 121.341 121.223 -0.090 0.000 1.989 67 L HA -0.157 4.182 4.340 -0.000 0.000 0.211 67 L C 1.438 178.189 176.870 -0.198 0.000 1.071 67 L CA 1.790 56.501 54.840 -0.215 0.000 0.749 67 L CB -0.378 41.423 42.059 -0.429 0.000 0.890 67 L HN 0.020 nan 8.230 nan 0.000 0.431 68 F N -0.836 119.154 119.950 0.067 0.000 2.664 68 F HA -0.010 4.517 4.527 -0.000 0.000 0.297 68 F C 1.246 177.090 175.800 0.073 0.000 1.164 68 F CA 0.401 58.445 58.000 0.074 0.000 1.472 68 F CB -0.709 38.325 39.000 0.057 0.000 1.108 68 F HN -0.007 nan 8.300 nan 0.000 0.596 69 S N -0.495 115.306 115.700 0.168 0.000 2.150 69 S HA 0.288 4.758 4.470 -0.000 0.000 0.171 69 S C 0.527 175.173 174.600 0.077 0.000 1.620 69 S CA -0.278 57.996 58.200 0.124 0.000 1.190 69 S CB 0.350 63.615 63.200 0.108 0.000 1.102 69 S HN 0.211 nan 8.310 nan 0.000 0.464 70 S N -0.287 115.458 115.700 0.074 0.000 3.101 70 S HA 0.373 4.843 4.470 -0.000 0.000 0.252 70 S C 1.272 175.905 174.600 0.054 0.000 0.920 70 S CA 0.045 58.277 58.200 0.052 0.000 1.158 70 S CB -0.060 63.163 63.200 0.038 0.000 1.125 70 S HN 0.950 nan 8.310 nan 0.000 0.608 71 G N 1.960 110.796 108.800 0.060 0.000 2.249 71 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.273 71 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.273 71 G C 0.169 175.100 174.900 0.051 0.000 0.995 71 G CA 1.003 46.132 45.100 0.049 0.000 0.671 71 G HN 0.663 nan 8.290 nan 0.000 0.539 72 L N 1.441 122.702 121.223 0.063 0.000 2.418 72 L HA 0.227 4.567 4.340 -0.000 0.000 0.274 72 L C -1.528 175.405 176.870 0.106 0.000 1.135 72 L CA -1.723 53.159 54.840 0.070 0.000 0.870 72 L CB 0.643 42.741 42.059 0.065 0.000 1.154 72 L HN -0.060 nan 8.230 nan 0.000 0.462 73 P HA 0.123 nan 4.420 nan 0.000 0.267 73 P C -0.933 176.560 177.300 0.322 0.000 1.200 73 P CA 0.214 63.420 63.100 0.178 0.000 0.772 73 P CB 0.576 32.316 31.700 0.066 0.000 0.855 74 L N 1.990 123.461 121.223 0.413 0.000 2.409 74 L HA 0.602 4.942 4.340 -0.000 0.000 0.262 74 L C -0.935 176.059 176.870 0.206 0.000 0.992 74 L CA -0.969 54.073 54.840 0.336 0.000 0.817 74 L CB 2.086 44.313 42.059 0.279 0.000 1.350 74 L HN 0.168 nan 8.230 nan 0.000 0.411 75 L N 1.771 122.919 121.223 -0.125 0.000 2.415 75 L HA 0.740 5.080 4.340 -0.000 0.000 0.268 75 L C -0.246 176.527 176.870 -0.163 0.000 0.984 75 L CA 0.058 54.653 54.840 -0.408 0.000 0.853 75 L CB 1.596 42.923 42.059 -1.220 0.000 1.215 75 L HN 0.569 nan 8.230 nan 0.000 0.419 76 G N 5.891 114.659 108.800 -0.054 0.000 2.322 76 G HA2 0.575 4.535 3.960 -0.000 0.000 0.309 76 G HA3 0.575 4.535 3.960 -0.000 0.000 0.309 76 G C -0.665 174.171 174.900 -0.106 0.000 1.121 76 G CA -0.404 44.682 45.100 -0.024 0.000 0.886 76 G HN 0.583 nan 8.290 nan 0.000 0.447 77 I N 2.530 123.046 120.570 -0.089 0.000 2.330 77 I HA 0.191 4.361 4.170 -0.000 0.000 0.289 77 I C 0.899 176.937 176.117 -0.132 0.000 1.001 77 I CA -0.419 60.779 61.300 -0.170 0.000 1.193 77 I CB 0.840 38.762 38.000 -0.130 0.000 1.345 77 I HN 0.681 nan 8.210 nan 0.000 0.461 78 C N 4.273 123.453 119.300 -0.201 0.000 5.333 78 C HA -0.386 4.073 4.460 -0.000 0.000 0.297 78 C C 2.067 177.034 174.990 -0.038 0.000 2.206 78 C CA 1.319 60.271 59.018 -0.110 0.000 2.002 78 C CB -1.736 25.951 27.740 -0.088 0.000 3.232 78 C HN 0.865 nan 8.230 nan 0.000 0.528 79 Y N 2.621 122.876 120.300 -0.075 0.000 2.139 79 Y HA -0.127 4.422 4.550 -0.000 0.000 0.282 79 Y C 2.182 177.961 175.900 -0.201 0.000 1.179 79 Y CA 3.056 61.081 58.100 -0.125 0.000 1.161 79 Y CB -0.984 37.430 38.460 -0.075 0.000 0.970 79 Y HN 0.633 nan 8.280 nan 0.000 0.511 80 G N 0.071 108.849 108.800 -0.036 0.000 2.440 80 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.218 80 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.218 80 G C 1.755 176.561 174.900 -0.158 0.000 1.154 80 G CA 1.032 46.063 45.100 -0.116 0.000 0.767 80 G HN 0.553 nan 8.290 nan 0.000 0.552 81 M N 0.075 119.588 119.600 -0.145 0.000 2.132 81 M HA -0.078 4.402 4.480 -0.000 0.000 0.263 81 M C 2.675 178.842 176.300 -0.221 0.000 1.065 81 M CA 1.602 56.819 55.300 -0.138 0.000 1.122 81 M CB -0.159 32.368 32.600 -0.122 0.000 1.365 81 M HN 0.293 nan 8.290 nan 0.000 0.411 82 Q N 0.390 120.016 119.800 -0.289 0.000 2.084 82 Q HA -0.152 4.187 4.340 -0.000 0.000 0.202 82 Q C 2.096 177.823 176.000 -0.456 0.000 0.978 82 Q CA 1.611 57.196 55.803 -0.363 0.000 0.844 82 Q CB -0.362 28.136 28.738 -0.400 0.000 0.898 82 Q HN 0.545 nan 8.270 nan 0.000 0.426 83 L N 0.358 121.246 121.223 -0.557 0.000 2.127 83 L HA -0.202 4.138 4.340 -0.000 0.000 0.211 83 L C 2.238 178.814 176.870 -0.489 0.000 1.089 83 L CA 0.444 54.980 54.840 -0.506 0.000 0.757 83 L CB -0.311 41.476 42.059 -0.453 0.000 0.899 83 L HN 0.299 nan 8.230 nan 0.000 0.434 84 L N -0.390 120.571 121.223 -0.437 0.000 2.027 84 L HA -0.134 4.206 4.340 -0.000 0.000 0.206 84 L C 2.768 179.264 176.870 -0.623 0.000 1.074 84 L CA 2.164 56.685 54.840 -0.530 0.000 0.745 84 L CB -1.410 40.502 42.059 -0.245 0.000 0.898 84 L HN 0.210 nan 8.230 nan 0.000 0.433 85 A N -1.006 121.520 122.820 -0.489 0.000 1.855 85 A HA -0.261 4.059 4.320 -0.000 0.000 0.215 85 A C 2.248 179.589 177.584 -0.405 0.000 1.191 85 A CA 1.657 53.416 52.037 -0.464 0.000 0.613 85 A CB -0.604 18.202 19.000 -0.323 0.000 0.829 85 A HN 0.539 nan 8.150 nan 0.000 0.442 86 Q N -0.402 119.183 119.800 -0.360 0.000 2.084 86 Q HA -0.173 4.167 4.340 -0.000 0.000 0.202 86 Q C 1.158 176.985 176.000 -0.288 0.000 0.978 86 Q CA 1.735 57.368 55.803 -0.283 0.000 0.844 86 Q CB -0.107 28.465 28.738 -0.278 0.000 0.898 86 Q HN 0.734 nan 8.270 nan 0.000 0.426 87 E N -0.409 119.551 120.200 -0.399 0.000 2.419 87 E HA 0.119 4.468 4.350 -0.000 0.000 0.190 87 E C 0.128 176.481 176.600 -0.413 0.000 1.040 87 E CA -0.145 56.031 56.400 -0.374 0.000 0.900 87 E CB 0.512 29.971 29.700 -0.402 0.000 1.054 87 E HN 0.340 nan 8.360 nan 0.000 0.462 88 L N -0.850 120.118 121.223 -0.424 0.000 3.439 88 L HA 0.283 4.622 4.340 -0.000 0.000 0.313 88 L C 0.781 177.462 176.870 -0.316 0.000 1.292 88 L CA -0.092 54.522 54.840 -0.375 0.000 1.020 88 L CB 1.155 42.905 42.059 -0.515 0.000 1.424 88 L HN 0.216 nan 8.230 nan 0.000 0.612 89 G N 0.103 108.752 108.800 -0.252 0.000 2.132 89 G HA2 -0.201 3.758 3.960 -0.000 0.000 0.234 89 G HA3 -0.201 3.758 3.960 -0.000 0.000 0.234 89 G C 0.392 175.166 174.900 -0.210 0.000 0.989 89 G CA -0.047 44.937 45.100 -0.193 0.000 0.676 89 G HN 0.519 nan 8.290 nan 0.000 0.522 90 G N -1.066 107.574 108.800 -0.266 0.000 2.613 90 G HA2 0.709 4.669 3.960 -0.000 0.000 0.303 90 G HA3 0.709 4.669 3.960 -0.000 0.000 0.303 90 G C -0.245 174.557 174.900 -0.164 0.000 1.312 90 G CA -0.410 44.546 45.100 -0.239 0.000 1.036 90 G HN 0.557 nan 8.290 nan 0.000 0.513 91 R N -0.792 119.633 120.500 -0.125 0.000 2.534 91 R HA 0.589 4.929 4.340 -0.000 0.000 0.301 91 R C -1.600 174.668 176.300 -0.053 0.000 0.961 91 R CA -0.406 55.652 56.100 -0.070 0.000 0.871 91 R CB 1.898 32.170 30.300 -0.046 0.000 1.170 91 R HN 0.293 nan 8.270 nan 0.000 0.446 92 V N 3.708 123.620 119.914 -0.002 0.000 2.604 92 V HA 0.462 4.582 4.120 -0.000 0.000 0.305 92 V C -0.433 175.796 176.094 0.225 0.000 1.043 92 V CA -0.675 61.647 62.300 0.036 0.000 0.888 92 V CB 1.948 33.721 31.823 -0.083 0.000 0.995 92 V HN 0.870 nan 8.190 nan 0.000 0.429 93 E N 2.306 122.620 120.200 0.190 0.000 2.423 93 E HA 0.609 4.959 4.350 -0.000 0.000 0.269 93 E C -0.795 175.958 176.600 0.255 0.000 0.948 93 E CA -1.041 55.482 56.400 0.205 0.000 0.802 93 E CB 2.758 32.497 29.700 0.066 0.000 1.339 93 E HN 0.500 nan 8.360 nan 0.000 0.445 99 E N 0.538 120.569 120.200 -0.282 0.000 2.388 99 E HA 0.627 4.977 4.350 -0.000 0.000 0.281 99 E C -1.602 174.650 176.600 -0.579 0.000 1.046 99 E CA -0.962 55.191 56.400 -0.412 0.000 0.825 99 E CB 0.756 30.369 29.700 -0.146 0.000 1.243 99 E HN 0.340 nan 8.360 nan 0.000 0.438 100 Y N 0.329 120.389 120.300 -0.400 0.000 2.545 100 Y HA 0.876 5.426 4.550 -0.000 0.000 0.324 100 Y C 0.854 176.099 175.900 -1.092 0.000 1.220 100 Y CA -0.045 57.483 58.100 -0.953 0.000 1.290 100 Y CB 2.029 39.701 38.460 -1.314 0.000 1.355 100 Y HN 0.830 nan 8.280 nan 0.000 0.516 101 G N 0.210 108.246 108.800 -1.273 0.000 2.473 101 G HA2 0.360 4.320 3.960 -0.000 0.000 0.298 101 G HA3 0.360 4.320 3.960 -0.000 0.000 0.298 101 G C -1.956 172.761 174.900 -0.306 0.000 1.575 101 G CA -1.327 43.407 45.100 -0.609 0.000 0.846 101 G HN 0.385 nan 8.290 nan 0.000 0.585 102 K N 0.021 120.482 120.400 0.101 0.000 2.270 102 K HA 0.686 5.006 4.320 -0.000 0.000 0.276 102 K C 0.111 176.787 176.600 0.128 0.000 1.023 102 K CA 0.108 56.532 56.287 0.228 0.000 0.955 102 K CB 1.652 34.294 32.500 0.236 0.000 0.975 102 K HN 0.926 nan 8.250 nan 0.000 0.471 103 A N 2.708 125.591 122.820 0.104 0.000 2.612 103 A HA 0.528 4.848 4.320 -0.000 0.000 0.293 103 A C -1.463 176.130 177.584 0.016 0.000 1.075 103 A CA -0.880 51.195 52.037 0.064 0.000 0.680 103 A CB 1.046 20.095 19.000 0.082 0.000 1.279 103 A HN 0.571 nan 8.150 nan 0.000 0.411 104 L N 1.514 122.740 121.223 0.004 0.000 2.295 104 L HA 0.459 4.799 4.340 -0.000 0.000 0.285 104 L C -0.579 176.272 176.870 -0.032 0.000 1.035 104 L CA -0.588 54.237 54.840 -0.025 0.000 0.806 104 L CB 1.418 43.472 42.059 -0.008 0.000 1.214 104 L HN 0.603 nan 8.230 nan 0.000 0.426 105 L N 2.694 123.874 121.223 -0.072 0.000 2.361 105 L HA 0.112 4.452 4.340 -0.000 0.000 0.278 105 L C 1.411 178.301 176.870 0.032 0.000 1.113 105 L CA -0.166 54.648 54.840 -0.043 0.000 0.849 105 L CB 1.094 43.080 42.059 -0.121 0.000 1.155 105 L HN 0.759 nan 8.230 nan 0.000 0.452 106 T N 0.125 114.688 114.554 0.015 0.000 3.113 106 T HA 0.062 4.412 4.350 -0.000 0.000 0.256 106 T C 0.674 175.349 174.700 -0.042 0.000 1.131 106 T CA 0.025 62.127 62.100 0.003 0.000 1.074 106 T CB 0.098 68.963 68.868 -0.006 0.000 0.944 106 T HN 0.576 nan 8.240 nan 0.000 0.516 107 R N 1.136 121.599 120.500 -0.061 0.000 2.579 107 R HA 0.318 4.658 4.340 -0.000 0.000 0.260 107 R C -1.866 174.274 176.300 -0.267 0.000 1.103 107 R CA -0.730 55.240 56.100 -0.216 0.000 0.942 107 R CB 0.999 31.221 30.300 -0.130 0.000 1.251 107 R HN 0.570 nan 8.270 nan 0.000 0.450 108 H N 2.777 121.659 119.070 -0.313 0.000 3.093 108 H HA 0.258 4.813 4.556 -0.000 0.000 0.311 108 H C -1.437 173.733 175.328 -0.263 0.000 1.294 108 H CA -0.877 54.763 56.048 -0.680 0.000 1.628 108 H CB 0.724 29.852 29.762 -1.058 0.000 1.874 108 H HN 0.744 nan 8.280 nan 0.000 0.574 109 E N 1.878 122.066 120.200 -0.019 0.000 2.299 109 E HA 0.685 5.035 4.350 -0.000 0.000 0.260 109 E C 0.112 176.899 176.600 0.311 0.000 0.944 109 E CA -1.214 55.261 56.400 0.125 0.000 0.815 109 E CB 2.809 32.528 29.700 0.032 0.000 1.252 109 E HN 0.726 nan 8.360 nan 0.000 0.418 110 G N 0.603 109.540 108.800 0.228 0.000 2.712 110 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.683 110 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.683 110 G C -2.308 172.713 174.900 0.202 0.000 1.320 110 G CA -0.481 44.751 45.100 0.220 0.000 0.847 110 G HN 0.453 nan 8.290 nan 0.000 0.553 111 P HA -0.062 nan 4.420 nan 0.000 0.216 111 P C 2.250 179.533 177.300 -0.027 0.000 1.150 111 P CA 1.256 64.397 63.100 0.069 0.000 0.843 111 P CB 0.086 31.832 31.700 0.076 0.000 0.787 112 L N -2.235 118.915 121.223 -0.121 0.000 2.265 112 L HA -0.058 4.282 4.340 -0.000 0.000 0.215 112 L C 1.167 177.737 176.870 -0.500 0.000 1.117 112 L CA 1.810 56.378 54.840 -0.453 0.000 0.782 112 L CB -0.754 40.883 42.059 -0.705 0.000 0.914 112 L HN -0.117 nan 8.230 nan 0.000 0.441 113 F N -1.037 118.950 119.950 0.061 0.000 2.698 113 F HA 0.338 4.865 4.527 -0.000 0.000 0.304 113 F C 0.985 176.833 175.800 0.081 0.000 1.108 113 F CA -0.637 57.418 58.000 0.091 0.000 1.263 113 F CB -0.262 38.847 39.000 0.181 0.000 1.013 113 F HN -0.167 nan 8.300 nan 0.000 0.532 114 R N 0.869 121.463 120.500 0.157 0.000 2.473 114 R HA 0.290 4.630 4.340 -0.000 0.000 0.315 114 R C 1.242 177.597 176.300 0.092 0.000 0.972 114 R CA 1.475 57.642 56.100 0.112 0.000 1.047 114 R CB -0.233 30.101 30.300 0.056 0.000 0.932 114 R HN 0.583 nan 8.270 nan 0.000 0.411 115 G N 3.427 112.285 108.800 0.098 0.000 2.313 115 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.215 115 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.215 115 G C -0.352 174.592 174.900 0.074 0.000 1.023 115 G CA -0.183 44.959 45.100 0.071 0.000 0.626 115 G HN 0.488 nan 8.290 nan 0.000 0.503 116 L N 2.373 123.656 121.223 0.100 0.000 2.418 116 L HA 0.593 4.933 4.340 -0.000 0.000 0.274 116 L C 0.354 177.262 176.870 0.064 0.000 1.135 116 L CA 0.376 55.248 54.840 0.052 0.000 0.870 116 L CB 0.951 43.023 42.059 0.020 0.000 1.154 116 L HN 0.224 nan 8.230 nan 0.000 0.462 117 E N 1.528 121.749 120.200 0.036 0.000 2.393 117 E HA 0.779 5.129 4.350 -0.000 0.000 0.265 117 E C 0.382 176.998 176.600 0.027 0.000 0.941 117 E CA -0.120 56.324 56.400 0.072 0.000 0.801 117 E CB 1.545 31.280 29.700 0.059 0.000 1.313 117 E HN 0.583 nan 8.360 nan 0.000 0.435 118 G N 1.408 110.238 108.800 0.050 0.000 2.562 118 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.250 118 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.250 118 G C -0.455 174.447 174.900 0.004 0.000 1.269 118 G CA 0.328 45.441 45.100 0.022 0.000 0.919 118 G HN 0.690 nan 8.290 nan 0.000 0.574 119 E N -0.984 119.205 120.200 -0.019 0.000 2.313 119 E HA 0.528 4.877 4.350 -0.000 0.000 0.276 119 E C -0.337 176.205 176.600 -0.096 0.000 1.031 119 E CA -0.857 55.520 56.400 -0.038 0.000 0.857 119 E CB 1.753 31.439 29.700 -0.023 0.000 1.040 119 E HN 0.642 nan 8.360 nan 0.000 0.408 120 V N 4.076 123.899 119.914 -0.152 0.000 2.250 120 V HA 0.099 4.219 4.120 -0.000 0.000 0.268 120 V C -0.054 175.935 176.094 -0.175 0.000 1.043 120 V CA -0.637 61.534 62.300 -0.214 0.000 0.814 120 V CB 0.472 32.049 31.823 -0.410 0.000 1.072 120 V HN 0.775 nan 8.190 nan 0.000 0.451 121 Q N 3.603 123.337 119.800 -0.110 0.000 2.304 121 Q HA 0.541 4.881 4.340 -0.000 0.000 0.260 121 Q C -0.602 175.340 176.000 -0.098 0.000 0.965 121 Q CA -0.200 55.562 55.803 -0.068 0.000 0.898 121 Q CB 1.689 30.422 28.738 -0.009 0.000 1.196 121 Q HN 0.713 nan 8.270 nan 0.000 0.402 122 V N 1.198 121.056 119.914 -0.093 0.000 2.962 122 V HA 0.488 4.608 4.120 -0.000 0.000 0.313 122 V C -1.055 175.156 176.094 0.195 0.000 1.099 122 V CA -1.132 61.105 62.300 -0.105 0.000 0.971 122 V CB 1.770 33.220 31.823 -0.622 0.000 1.028 122 V HN 1.003 nan 8.190 nan 0.000 0.430 123 W N 5.730 127.061 121.300 0.053 0.000 2.226 123 W HA 0.415 5.074 4.660 -0.000 0.000 0.379 123 W C -0.486 176.152 176.519 0.199 0.000 0.923 123 W CA -0.999 56.398 57.345 0.088 0.000 1.524 123 W CB 1.064 30.556 29.460 0.052 0.000 1.552 123 W HN 0.577 nan 8.180 nan 0.000 0.337 124 M N 2.938 122.544 119.600 0.010 0.000 2.238 124 M HA -0.004 4.476 4.480 -0.000 0.000 0.347 124 M C 0.518 176.663 176.300 -0.258 0.000 1.173 124 M CA 0.559 55.847 55.300 -0.020 0.000 1.147 124 M CB 1.182 33.805 32.600 0.038 0.000 1.547 124 M HN 0.181 nan 8.290 nan 0.000 0.455 125 S N 1.169 116.845 115.700 -0.039 0.000 2.508 125 S HA 0.307 4.776 4.470 -0.000 0.000 0.284 125 S C 0.475 175.045 174.600 -0.050 0.000 1.192 125 S CA -0.439 57.758 58.200 -0.005 0.000 1.070 125 S CB 0.406 63.706 63.200 0.167 0.000 1.004 125 S HN 0.731 nan 8.310 nan 0.000 0.493 126 H N 1.712 120.765 119.070 -0.029 0.000 2.740 126 H HA 0.265 4.821 4.556 -0.000 0.000 0.265 126 H C 0.557 175.873 175.328 -0.021 0.000 0.978 126 H CA -0.261 55.767 56.048 -0.033 0.000 1.198 126 H CB 0.406 30.129 29.762 -0.064 0.000 1.467 126 H HN 0.537 nan 8.280 nan 0.000 0.511 127 Q N 2.630 122.480 119.800 0.082 0.000 2.244 127 Q HA -0.032 4.308 4.340 -0.000 0.000 0.278 127 Q C -0.583 175.454 176.000 0.061 0.000 1.093 127 Q CA -0.080 55.761 55.803 0.062 0.000 0.916 127 Q CB 0.168 28.932 28.738 0.043 0.000 1.159 127 Q HN 0.339 nan 8.270 nan 0.000 0.384 128 D N 0.822 121.265 120.400 0.072 0.000 4.121 128 D HA -0.219 4.420 4.640 -0.000 0.000 0.291 128 D C -1.091 175.236 176.300 0.046 0.000 2.247 128 D CA 1.162 55.205 54.000 0.071 0.000 1.125 128 D CB -0.761 40.056 40.800 0.029 0.000 1.032 128 D HN 0.787 nan 8.370 nan 0.000 1.224 129 A N -1.451 121.384 122.820 0.025 0.000 2.586 129 A HA 0.511 4.830 4.320 -0.000 0.000 0.296 129 A C -1.290 176.291 177.584 -0.005 0.000 1.040 129 A CA -0.445 51.602 52.037 0.017 0.000 0.701 129 A CB 1.257 20.277 19.000 0.034 0.000 1.277 129 A HN 0.543 nan 8.150 nan 0.000 0.413 130 V N 2.348 122.250 119.914 -0.020 0.000 2.383 130 V HA 0.489 4.609 4.120 -0.000 0.000 0.275 130 V C 1.325 177.408 176.094 -0.017 0.000 1.036 130 V CA 0.645 62.919 62.300 -0.042 0.000 0.889 130 V CB 1.086 32.869 31.823 -0.066 0.000 0.985 130 V HN 1.291 nan 8.190 nan 0.000 0.459 131 T N 0.824 115.366 114.554 -0.019 0.000 3.001 131 T HA 0.489 4.839 4.350 -0.000 0.000 0.251 131 T C 0.438 175.126 174.700 -0.020 0.000 1.040 131 T CA 0.483 62.577 62.100 -0.010 0.000 0.985 131 T CB 0.538 69.402 68.868 -0.005 0.000 1.011 131 T HN 0.844 nan 8.240 nan 0.000 0.509 132 A N 2.766 125.561 122.820 -0.042 0.000 2.414 132 A HA 0.723 5.043 4.320 -0.000 0.000 0.286 132 A C -3.115 174.412 177.584 -0.095 0.000 1.073 132 A CA -1.749 50.256 52.037 -0.054 0.000 0.727 132 A CB 1.600 20.566 19.000 -0.058 0.000 1.215 132 A HN 0.133 nan 8.150 nan 0.000 0.430 133 P HA 0.392 nan 4.420 nan 0.000 0.276 133 P C -2.765 174.392 177.300 -0.237 0.000 1.244 133 P CA -1.413 61.611 63.100 -0.126 0.000 0.801 133 P CB 0.019 31.734 31.700 0.024 0.000 1.006 134 P HA 0.063 nan 4.420 nan 0.000 0.266 134 P C -2.074 175.060 177.300 -0.276 0.000 1.193 134 P CA -0.694 62.031 63.100 -0.626 0.000 0.770 134 P CB -1.235 29.624 31.700 -1.402 0.000 0.836 135 P HA -0.107 nan 4.420 nan 0.000 0.261 135 P C 0.935 178.314 177.300 0.132 0.000 1.183 135 P CA 1.367 64.466 63.100 -0.002 0.000 0.761 135 P CB 0.060 31.751 31.700 -0.015 0.000 0.785 136 G N 2.031 110.918 108.800 0.145 0.000 2.299 136 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.237 136 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.237 136 G C -0.277 174.769 174.900 0.244 0.000 1.027 136 G CA -0.404 44.802 45.100 0.177 0.000 0.619 136 G HN 0.382 nan 8.290 nan 0.000 0.513 137 W N 2.576 123.855 121.300 -0.035 0.000 2.126 137 W HA 0.676 5.336 4.660 -0.000 0.000 0.346 137 W C 1.252 177.760 176.519 -0.018 0.000 1.279 137 W CA -0.132 57.189 57.345 -0.039 0.000 1.259 137 W CB 0.331 29.759 29.460 -0.054 0.000 1.133 137 W HN 0.501 nan 8.180 nan 0.000 0.592 138 R N 0.358 120.982 120.500 0.208 0.000 2.711 138 R HA 0.749 5.088 4.340 -0.000 0.000 0.284 138 R C -1.402 174.997 176.300 0.165 0.000 0.968 138 R CA -1.143 55.042 56.100 0.143 0.000 0.924 138 R CB 0.877 31.230 30.300 0.088 0.000 1.162 138 R HN 0.150 nan 8.270 nan 0.000 0.465 139 V N 3.031 123.024 119.914 0.132 0.000 2.427 139 V HA 0.030 4.150 4.120 -0.000 0.000 0.268 139 V C 1.177 177.357 176.094 0.143 0.000 1.046 139 V CA -0.206 62.176 62.300 0.135 0.000 0.970 139 V CB 1.270 33.149 31.823 0.093 0.000 1.001 139 V HN 0.806 nan 8.190 nan 0.000 0.476 140 V N 1.979 122.016 119.914 0.206 0.000 3.660 140 V HA 0.737 4.857 4.120 -0.000 0.000 0.276 140 V C 0.601 176.791 176.094 0.160 0.000 1.317 140 V CA 0.652 63.094 62.300 0.238 0.000 1.097 140 V CB -0.089 31.976 31.823 0.403 0.000 0.863 140 V HN 0.854 nan 8.190 nan 0.000 0.438 141 A N 0.772 123.680 122.820 0.147 0.000 2.606 141 A HA 0.846 5.165 4.320 -0.000 0.000 0.293 141 A C -0.926 176.708 177.584 0.082 0.000 1.082 141 A CA -0.280 51.779 52.037 0.036 0.000 0.685 141 A CB 1.675 20.684 19.000 0.014 0.000 1.284 141 A HN 0.616 nan 8.150 nan 0.000 0.408 142 E N -0.545 119.679 120.200 0.040 0.000 2.416 142 E HA 0.676 5.026 4.350 -0.000 0.000 0.280 142 E C -0.743 175.880 176.600 0.038 0.000 1.055 142 E CA -0.556 55.877 56.400 0.056 0.000 0.825 142 E CB 1.498 31.220 29.700 0.038 0.000 1.312 142 E HN 0.879 nan 8.360 nan 0.000 0.452 143 T N -2.179 112.404 114.554 0.047 0.000 2.905 143 T HA 0.312 4.661 4.350 -0.000 0.000 0.283 143 T C 0.764 175.478 174.700 0.024 0.000 1.031 143 T CA -0.661 61.460 62.100 0.034 0.000 1.002 143 T CB 1.647 70.547 68.868 0.053 0.000 1.200 143 T HN 0.437 nan 8.240 nan 0.000 0.560 144 E N 0.237 120.448 120.200 0.018 0.000 2.077 144 E HA -0.112 4.237 4.350 -0.000 0.000 0.193 144 E C 1.736 178.341 176.600 0.008 0.000 0.989 144 E CA 1.450 57.856 56.400 0.010 0.000 0.800 144 E CB -0.111 29.593 29.700 0.007 0.000 0.746 144 E HN 0.734 nan 8.360 nan 0.000 0.452 145 E N 0.095 120.302 120.200 0.010 0.000 2.385 145 E HA 0.016 4.366 4.350 -0.000 0.000 0.194 145 E C 0.066 176.672 176.600 0.010 0.000 1.013 145 E CA 0.090 56.490 56.400 -0.000 0.000 0.866 145 E CB 0.246 29.934 29.700 -0.020 0.000 0.832 145 E HN -0.053 nan 8.360 nan 0.000 0.500 146 N N -0.056 118.663 118.700 0.031 0.000 2.531 146 N HA 0.124 4.864 4.740 -0.000 0.000 0.268 146 N C -2.338 173.200 175.510 0.046 0.000 1.023 146 N CA -1.992 51.083 53.050 0.042 0.000 0.896 146 N CB 1.674 40.204 38.487 0.071 0.000 1.233 146 N HN -0.166 nan 8.380 nan 0.000 0.512 147 P HA -0.021 nan 4.420 nan 0.000 0.234 147 P C -0.159 177.169 177.300 0.047 0.000 1.167 147 P CA 0.540 63.660 63.100 0.033 0.000 0.763 147 P CB 0.587 32.300 31.700 0.021 0.000 0.835 148 V N 0.129 120.077 119.914 0.057 0.000 2.320 148 V HA 0.377 4.497 4.120 -0.000 0.000 0.257 148 V C 1.375 177.528 176.094 0.099 0.000 0.996 148 V CA -0.094 62.249 62.300 0.071 0.000 0.928 148 V CB 0.440 32.290 31.823 0.046 0.000 1.169 148 V HN -0.031 nan 8.190 nan 0.000 0.475 149 A N 1.924 124.828 122.820 0.140 0.000 2.072 149 A HA 0.737 5.057 4.320 -0.000 0.000 0.216 149 A C 1.113 178.852 177.584 0.258 0.000 1.156 149 A CA 1.041 53.209 52.037 0.218 0.000 0.701 149 A CB 0.272 19.426 19.000 0.257 0.000 0.816 149 A HN 1.099 nan 8.150 nan 0.000 0.458 150 A N -0.356 122.612 122.820 0.247 0.000 2.547 150 A HA 0.628 4.947 4.320 -0.000 0.000 0.297 150 A C -0.684 177.054 177.584 0.256 0.000 1.056 150 A CA -0.425 51.776 52.037 0.273 0.000 0.688 150 A CB 0.673 19.987 19.000 0.524 0.000 1.282 150 A HN 0.820 nan 8.150 nan 0.000 0.400 151 I N -1.327 119.392 120.570 0.249 0.000 2.892 151 I HA 0.996 5.166 4.170 -0.000 0.000 0.306 151 I C -0.237 176.065 176.117 0.308 0.000 1.078 151 I CA -1.206 60.270 61.300 0.295 0.000 1.032 151 I CB 2.406 40.592 38.000 0.309 0.000 1.229 151 I HN 1.059 nan 8.210 nan 0.000 0.435 152 A N 2.582 125.523 122.820 0.201 0.000 2.459 152 A HA 0.654 4.974 4.320 -0.000 0.000 0.296 152 A C -0.327 176.862 177.584 -0.658 0.000 1.039 152 A CA -0.411 51.462 52.037 -0.273 0.000 0.698 152 A CB 1.417 20.337 19.000 -0.134 0.000 1.261 152 A HN 0.988 nan 8.150 nan 0.000 0.405 153 S N 2.900 117.652 115.700 -1.580 0.000 2.584 153 S HA 0.369 4.839 4.470 -0.000 0.000 0.270 153 S C -1.206 172.914 174.600 -0.801 0.000 1.346 153 S CA -0.214 56.852 58.200 -1.890 0.000 1.018 153 S CB 0.384 62.474 63.200 -1.850 0.000 0.899 153 S HN 0.564 nan 8.310 nan 0.000 0.542 154 P HA -0.108 nan 4.420 nan 0.000 0.222 154 P C 0.421 177.597 177.300 -0.206 0.000 1.147 154 P CA 1.310 64.267 63.100 -0.238 0.000 0.790 154 P CB -0.214 31.414 31.700 -0.119 0.000 0.780 155 D N -1.488 118.759 120.400 -0.255 0.000 2.340 155 D HA 0.117 4.757 4.640 -0.000 0.000 0.217 155 D C 1.296 177.488 176.300 -0.180 0.000 1.081 155 D CA 0.041 53.939 54.000 -0.170 0.000 0.842 155 D CB -1.085 39.639 40.800 -0.126 0.000 0.934 155 D HN 0.160 nan 8.370 nan 0.000 0.511 156 G N 1.453 110.075 108.800 -0.297 0.000 2.283 156 G HA2 -0.411 3.549 3.960 -0.000 0.000 0.280 156 G HA3 -0.411 3.549 3.960 -0.000 0.000 0.280 156 G C 0.886 175.673 174.900 -0.188 0.000 1.029 156 G CA 0.700 45.638 45.100 -0.269 0.000 0.840 156 G HN 0.553 nan 8.290 nan 0.000 0.505 157 R N -0.500 119.819 120.500 -0.301 0.000 2.195 157 R HA 0.609 4.949 4.340 -0.000 0.000 0.197 157 R C 1.297 177.562 176.300 -0.059 0.000 0.990 157 R CA 1.141 57.186 56.100 -0.093 0.000 1.048 157 R CB 0.265 30.519 30.300 -0.076 0.000 0.997 157 R HN 0.808 nan 8.270 nan 0.000 0.502 158 A N 0.224 122.806 122.820 -0.397 0.000 2.330 158 A HA 0.635 4.955 4.320 -0.000 0.000 0.327 158 A C -1.644 175.588 177.584 -0.587 0.000 1.155 158 A CA -0.529 51.361 52.037 -0.246 0.000 0.803 158 A CB 0.666 19.590 19.000 -0.126 0.000 1.208 158 A HN 0.285 nan 8.150 nan 0.000 0.477 159 Y N -0.010 120.306 120.300 0.027 0.000 2.562 159 Y HA 0.641 5.191 4.550 -0.000 0.000 0.345 159 Y C 0.594 176.515 175.900 0.035 0.000 1.045 159 Y CA -0.479 57.632 58.100 0.019 0.000 1.028 159 Y CB 2.801 41.244 38.460 -0.029 0.000 1.297 159 Y HN 0.929 nan 8.280 nan 0.000 0.463 160 G N 0.668 109.599 108.800 0.219 0.000 2.591 160 G HA2 0.634 4.594 3.960 -0.000 0.000 0.306 160 G HA3 0.634 4.594 3.960 -0.000 0.000 0.306 160 G C -1.716 173.168 174.900 -0.026 0.000 1.334 160 G CA -0.959 44.182 45.100 0.068 0.000 0.981 160 G HN 0.811 nan 8.290 nan 0.000 0.491 161 V N -0.006 119.780 119.914 -0.214 0.000 2.789 161 V HA 0.635 4.755 4.120 -0.000 0.000 0.311 161 V C 0.303 176.131 176.094 -0.444 0.000 1.073 161 V CA -0.974 61.052 62.300 -0.457 0.000 0.921 161 V CB 2.002 33.209 31.823 -1.028 0.000 1.009 161 V HN 0.637 nan 8.190 nan 0.000 0.426 162 Q N 2.371 121.996 119.800 -0.291 0.000 2.365 162 Q HA 0.364 4.704 4.340 -0.000 0.000 0.203 162 Q C -0.214 175.765 176.000 -0.034 0.000 0.929 162 Q CA 0.445 56.192 55.803 -0.093 0.000 0.948 162 Q CB -0.261 28.521 28.738 0.073 0.000 1.043 162 Q HN 0.850 nan 8.270 nan 0.000 0.505 163 F N -2.978 116.949 119.950 -0.038 0.000 2.654 163 F HA 0.562 5.089 4.527 -0.000 0.000 0.334 163 F C -0.344 175.367 175.800 -0.148 0.000 1.078 163 F CA -1.384 56.592 58.000 -0.040 0.000 0.986 163 F CB 0.785 39.831 39.000 0.076 0.000 1.362 163 F HN -0.204 nan 8.300 nan 0.000 0.498 164 H N 2.015 121.299 119.070 0.357 0.000 2.685 164 H HA 0.237 4.793 4.556 -0.000 0.000 0.286 164 H C -1.998 173.472 175.328 0.236 0.000 1.102 164 H CA -1.551 54.608 56.048 0.184 0.000 1.254 164 H CB 1.324 31.119 29.762 0.055 0.000 1.397 164 H HN 0.413 nan 8.280 nan 0.000 0.473 165 P HA -0.081 nan 4.420 nan 0.000 0.241 165 P C 1.072 178.428 177.300 0.093 0.000 1.191 165 P CA 0.598 63.843 63.100 0.240 0.000 0.771 165 P CB 0.492 32.316 31.700 0.207 0.000 0.929 166 E N -0.183 120.050 120.200 0.055 0.000 2.442 166 E HA 0.030 4.380 4.350 -0.000 0.000 0.195 166 E C 0.494 177.029 176.600 -0.107 0.000 1.030 166 E CA 0.054 56.445 56.400 -0.014 0.000 0.869 166 E CB -0.428 29.276 29.700 0.007 0.000 0.857 166 E HN 0.070 nan 8.360 nan 0.000 0.505 167 V N 0.872 120.677 119.914 -0.183 0.000 2.716 167 V HA 0.435 4.555 4.120 -0.000 0.000 0.304 167 V C 1.361 177.277 176.094 -0.298 0.000 1.053 167 V CA 0.319 62.406 62.300 -0.355 0.000 0.984 167 V CB 1.488 32.921 31.823 -0.650 0.000 1.021 167 V HN 0.273 nan 8.190 nan 0.000 0.467 168 A N 2.925 125.502 122.820 -0.405 0.000 1.978 168 A HA -0.179 4.141 4.320 -0.000 0.000 0.220 168 A C 1.665 179.007 177.584 -0.404 0.000 1.170 168 A CA 1.606 53.405 52.037 -0.396 0.000 0.636 168 A CB -0.734 17.976 19.000 -0.483 0.000 0.810 168 A HN 0.976 nan 8.150 nan 0.000 0.448 169 H N -0.245 118.566 119.070 -0.432 0.000 2.568 169 H HA -0.006 4.550 4.556 -0.000 0.000 0.281 169 H C -0.107 175.134 175.328 -0.145 0.000 1.028 169 H CA 1.366 57.174 56.048 -0.400 0.000 1.199 169 H CB -0.232 28.997 29.762 -0.888 0.000 1.352 169 H HN 0.311 nan 8.280 nan 0.000 0.605 170 T N 3.333 117.873 114.554 -0.025 0.000 3.331 170 T HA 0.105 4.455 4.350 -0.000 0.000 0.381 170 T C -1.541 173.136 174.700 -0.038 0.000 1.656 170 T CA -1.238 60.868 62.100 0.010 0.000 1.453 170 T CB 1.852 70.770 68.868 0.083 0.000 1.066 170 T HN 0.183 nan 8.240 nan 0.000 0.655 171 P HA -0.161 nan 4.420 nan 0.000 0.217 171 P C 0.714 177.988 177.300 -0.043 0.000 1.151 171 P CA 1.257 64.319 63.100 -0.063 0.000 0.849 171 P CB 0.294 31.958 31.700 -0.060 0.000 0.787 172 K N -0.623 119.757 120.400 -0.035 0.000 2.410 172 K HA 0.198 4.518 4.320 -0.000 0.000 0.200 172 K C 2.091 178.698 176.600 0.010 0.000 1.023 172 K CA 0.235 56.511 56.287 -0.018 0.000 1.149 172 K CB -0.354 32.130 32.500 -0.027 0.000 0.859 172 K HN 0.091 nan 8.250 nan 0.000 0.514 173 G N 1.626 110.437 108.800 0.019 0.000 2.442 173 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 173 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 173 G C 1.437 176.360 174.900 0.038 0.000 1.141 173 G CA 0.562 45.699 45.100 0.061 0.000 0.763 173 G HN 0.128 nan 8.290 nan 0.000 0.554 174 M N 0.346 119.954 119.600 0.013 0.000 2.213 174 M HA -0.065 4.415 4.480 -0.000 0.000 0.263 174 M C 2.554 178.861 176.300 0.011 0.000 1.062 174 M CA 1.049 56.355 55.300 0.009 0.000 1.105 174 M CB -1.003 31.597 32.600 0.001 0.000 1.385 174 M HN 0.393 nan 8.290 nan 0.000 0.417 175 Q N -0.256 119.550 119.800 0.010 0.000 2.123 175 Q HA -0.039 4.300 4.340 -0.000 0.000 0.199 175 Q C 2.127 178.124 176.000 -0.005 0.000 0.966 175 Q CA 1.009 56.816 55.803 0.007 0.000 0.845 175 Q CB 0.002 28.747 28.738 0.012 0.000 0.907 175 Q HN 0.489 nan 8.270 nan 0.000 0.439 176 I N 0.639 121.208 120.570 -0.001 0.000 2.179 176 I HA -0.299 3.871 4.170 -0.000 0.000 0.242 176 I C 2.153 178.242 176.117 -0.048 0.000 1.088 176 I CA 1.136 62.401 61.300 -0.057 0.000 1.357 176 I CB -0.264 37.735 38.000 -0.001 0.000 1.051 176 I HN 0.208 nan 8.210 nan 0.000 0.409 177 L N 0.128 121.351 121.223 0.001 0.000 2.079 177 L HA -0.224 4.116 4.340 -0.000 0.000 0.210 177 L C 2.693 179.604 176.870 0.069 0.000 1.081 177 L CA 1.242 56.107 54.840 0.042 0.000 0.752 177 L CB -0.645 41.436 42.059 0.036 0.000 0.896 177 L HN 0.301 nan 8.230 nan 0.000 0.433 178 E N 0.677 120.892 120.200 0.025 0.000 2.023 178 E HA -0.231 4.119 4.350 -0.000 0.000 0.196 178 E C 1.871 178.461 176.600 -0.018 0.000 1.003 178 E CA 1.655 58.060 56.400 0.008 0.000 0.809 178 E CB -0.327 29.373 29.700 -0.000 0.000 0.755 178 E HN 0.599 nan 8.360 nan 0.000 0.449 179 N N -0.191 118.486 118.700 -0.039 0.000 2.060 179 N HA -0.225 4.515 4.740 -0.000 0.000 0.195 179 N C 1.866 177.309 175.510 -0.112 0.000 1.028 179 N CA 1.380 54.381 53.050 -0.083 0.000 0.861 179 N CB -0.371 38.042 38.487 -0.123 0.000 1.029 179 N HN 0.088 nan 8.380 nan 0.000 0.428 180 F N 1.944 121.756 119.950 -0.229 0.000 2.134 180 F HA -0.086 4.441 4.527 -0.000 0.000 0.299 180 F C 1.904 177.639 175.800 -0.109 0.000 1.097 180 F CA 1.133 58.992 58.000 -0.235 0.000 1.264 180 F CB -0.361 38.509 39.000 -0.216 0.000 1.001 180 F HN -0.031 nan 8.300 nan 0.000 0.479 181 L N 0.065 121.132 121.223 -0.261 0.000 2.046 181 L HA -0.220 4.120 4.340 -0.000 0.000 0.208 181 L C 2.416 179.115 176.870 -0.286 0.000 1.077 181 L CA 1.802 56.458 54.840 -0.306 0.000 0.747 181 L CB -0.804 41.207 42.059 -0.079 0.000 0.896 181 L HN 0.208 nan 8.230 nan 0.000 0.432 182 E N 0.256 120.341 120.200 -0.192 0.000 2.031 182 E HA -0.221 4.129 4.350 -0.000 0.000 0.193 182 E C 2.316 178.815 176.600 -0.168 0.000 0.994 182 E CA 1.097 57.413 56.400 -0.139 0.000 0.800 182 E CB -0.237 29.409 29.700 -0.089 0.000 0.752 182 E HN 0.432 nan 8.360 nan 0.000 0.447 183 L N 0.551 121.652 121.223 -0.204 0.000 2.187 183 L HA -0.175 4.164 4.340 -0.000 0.000 0.213 183 L C 2.325 179.073 176.870 -0.203 0.000 1.100 183 L CA 0.917 55.665 54.840 -0.153 0.000 0.765 183 L CB -0.366 41.626 42.059 -0.111 0.000 0.904 183 L HN 0.145 nan 8.230 nan 0.000 0.437 184 A N -0.544 122.026 122.820 -0.417 0.000 2.251 184 A HA 0.305 4.625 4.320 -0.000 0.000 0.209 184 A C 1.754 179.215 177.584 -0.204 0.000 1.187 184 A CA 0.608 52.416 52.037 -0.382 0.000 0.823 184 A CB -0.372 18.194 19.000 -0.724 0.000 0.846 184 A HN 0.484 nan 8.150 nan 0.000 0.486 185 G N -0.735 107.966 108.800 -0.165 0.000 2.203 185 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.263 185 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.263 185 G C 0.194 175.044 174.900 -0.083 0.000 1.012 185 G CA 0.301 45.343 45.100 -0.097 0.000 0.749 185 G HN 0.751 nan 8.290 nan 0.000 0.512 186 V N 2.709 122.556 119.914 -0.111 0.000 2.446 186 V HA 0.262 4.382 4.120 -0.000 0.000 0.276 186 V C 1.185 177.259 176.094 -0.034 0.000 1.030 186 V CA 0.014 62.273 62.300 -0.067 0.000 1.033 186 V CB 1.052 32.827 31.823 -0.081 0.000 0.993 186 V HN 0.594 nan 8.190 nan 0.000 0.477 187 K N 7.050 127.443 120.400 -0.011 0.000 2.295 187 K HA 0.191 4.511 4.320 -0.000 0.000 0.270 187 K C -0.247 176.366 176.600 0.021 0.000 1.011 187 K CA -0.290 55.996 56.287 -0.002 0.000 0.953 187 K CB 0.646 33.146 32.500 -0.001 0.000 0.956 187 K HN 0.427 nan 8.250 nan 0.000 0.477 188 R N 3.420 123.932 120.500 0.020 0.000 3.436 188 R HA 0.161 4.501 4.340 -0.000 0.000 0.247 188 R C -0.768 175.561 176.300 0.048 0.000 1.434 188 R CA -0.264 55.867 56.100 0.052 0.000 1.543 188 R CB -0.150 30.175 30.300 0.042 0.000 1.289 188 R HN 0.566 nan 8.270 nan 0.000 0.664 189 D N 0.197 120.635 120.400 0.063 0.000 2.587 189 D HA 0.001 4.641 4.640 -0.000 0.000 0.233 189 D C -0.219 176.144 176.300 0.105 0.000 1.213 189 D CA 0.147 54.126 54.000 -0.035 0.000 0.827 189 D CB 0.344 41.070 40.800 -0.123 0.000 1.006 189 D HN 0.459 nan 8.370 nan 0.000 0.490 190 W N 3.157 124.467 121.300 0.017 0.000 1.950 190 W HA 0.126 4.786 4.660 -0.000 0.000 0.289 190 W C -0.585 175.990 176.519 0.093 0.000 0.883 190 W CA -0.505 56.907 57.345 0.111 0.000 2.031 190 W CB 0.689 30.255 29.460 0.175 0.000 2.266 190 W HN -0.187 nan 8.180 nan 0.000 0.400 191 T N 0.077 114.593 114.554 -0.063 0.000 2.929 191 T HA 0.402 4.752 4.350 -0.000 0.000 0.284 191 T C -1.173 173.412 174.700 -0.192 0.000 1.014 191 T CA -1.687 60.367 62.100 -0.077 0.000 1.051 191 T CB 2.289 71.142 68.868 -0.026 0.000 1.028 191 T HN 0.035 nan 8.240 nan 0.000 0.485 192 P HA -0.214 nan 4.420 nan 0.000 0.216 192 P C 1.410 178.615 177.300 -0.158 0.000 1.153 192 P CA 1.445 64.442 63.100 -0.171 0.000 0.858 192 P CB 0.125 31.766 31.700 -0.098 0.000 0.789 193 E N 0.016 120.158 120.200 -0.096 0.000 2.150 193 E HA -0.245 4.105 4.350 -0.000 0.000 0.193 193 E C 2.083 178.631 176.600 -0.087 0.000 0.985 193 E CA 1.226 57.580 56.400 -0.078 0.000 0.814 193 E CB -1.312 28.364 29.700 -0.041 0.000 0.752 193 E HN 0.341 nan 8.360 nan 0.000 0.466 194 H N 1.554 120.516 119.070 -0.179 0.000 2.326 194 H HA -0.035 4.521 4.556 -0.000 0.000 0.301 194 H C 2.075 177.243 175.328 -0.267 0.000 1.081 194 H CA 2.035 57.968 56.048 -0.192 0.000 1.334 194 H CB -0.187 29.464 29.762 -0.185 0.000 1.385 194 H HN -0.005 nan 8.280 nan 0.000 0.504 195 V N 0.639 120.253 119.914 -0.500 0.000 2.255 195 V HA -0.249 3.871 4.120 -0.000 0.000 0.247 195 V C 2.648 178.515 176.094 -0.379 0.000 1.051 195 V CA 1.748 63.675 62.300 -0.621 0.000 1.018 195 V CB -0.942 30.455 31.823 -0.711 0.000 0.641 195 V HN 0.393 nan 8.190 nan 0.000 0.445 196 L N 0.499 121.566 121.223 -0.260 0.000 1.971 196 L HA -0.242 4.098 4.340 -0.000 0.000 0.215 196 L C 2.450 179.227 176.870 -0.156 0.000 1.072 196 L CA 2.177 56.921 54.840 -0.159 0.000 0.758 196 L CB -0.935 41.055 42.059 -0.115 0.000 0.889 196 L HN 0.417 nan 8.230 nan 0.000 0.433 197 E N -0.793 119.302 120.200 -0.173 0.000 2.085 197 E HA -0.299 4.051 4.350 -0.000 0.000 0.194 197 E C 2.118 178.609 176.600 -0.182 0.000 0.994 197 E CA 1.499 57.810 56.400 -0.148 0.000 0.801 197 E CB -0.185 29.440 29.700 -0.124 0.000 0.743 197 E HN 0.651 nan 8.360 nan 0.000 0.453 198 E N 0.735 120.757 120.200 -0.297 0.000 2.051 198 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 198 E C 2.125 178.618 176.600 -0.179 0.000 0.991 198 E CA 0.750 56.978 56.400 -0.287 0.000 0.799 198 E CB 0.038 29.456 29.700 -0.469 0.000 0.748 198 E HN 0.212 nan 8.360 nan 0.000 0.449 199 L N 0.518 121.646 121.223 -0.157 0.000 2.093 199 L HA -0.175 4.165 4.340 -0.000 0.000 0.208 199 L C 2.567 179.387 176.870 -0.083 0.000 1.085 199 L CA 0.656 55.444 54.840 -0.087 0.000 0.755 199 L CB -0.349 41.701 42.059 -0.015 0.000 0.904 199 L HN 0.253 nan 8.230 nan 0.000 0.435 200 L N -0.498 120.675 121.223 -0.083 0.000 2.046 200 L HA -0.213 4.127 4.340 -0.000 0.000 0.208 200 L C 2.890 179.716 176.870 -0.074 0.000 1.077 200 L CA 1.162 55.959 54.840 -0.072 0.000 0.747 200 L CB -0.476 41.545 42.059 -0.064 0.000 0.896 200 L HN 0.250 nan 8.230 nan 0.000 0.432 201 R N 0.463 120.915 120.500 -0.080 0.000 2.080 201 R HA -0.206 4.133 4.340 -0.000 0.000 0.236 201 R C 2.145 178.402 176.300 -0.071 0.000 1.137 201 R CA 1.993 58.052 56.100 -0.070 0.000 0.943 201 R CB -0.175 30.080 30.300 -0.074 0.000 0.846 201 R HN 0.424 nan 8.270 nan 0.000 0.431 202 E N -0.221 119.929 120.200 -0.083 0.000 2.058 202 E HA -0.174 4.176 4.350 -0.000 0.000 0.194 202 E C 2.060 178.593 176.600 -0.111 0.000 0.997 202 E CA 1.610 57.957 56.400 -0.087 0.000 0.801 202 E CB -0.079 29.569 29.700 -0.087 0.000 0.746 202 E HN 0.183 nan 8.360 nan 0.000 0.450 203 V N 1.336 121.177 119.914 -0.122 0.000 2.332 203 V HA -0.280 3.840 4.120 -0.000 0.000 0.248 203 V C 2.299 178.317 176.094 -0.127 0.000 1.055 203 V CA 1.864 64.071 62.300 -0.154 0.000 1.038 203 V CB -0.522 31.215 31.823 -0.144 0.000 0.651 203 V HN 0.190 nan 8.190 nan 0.000 0.450 204 R N -0.185 120.264 120.500 -0.084 0.000 2.070 204 R HA -0.165 4.175 4.340 -0.000 0.000 0.233 204 R C 2.403 178.676 176.300 -0.045 0.000 1.137 204 R CA 1.905 57.973 56.100 -0.053 0.000 0.945 204 R CB -0.354 29.924 30.300 -0.037 0.000 0.845 204 R HN 0.609 nan 8.270 nan 0.000 0.430 205 E N -0.078 120.093 120.200 -0.048 0.000 2.058 205 E HA -0.245 4.105 4.350 -0.000 0.000 0.194 205 E C 2.113 178.694 176.600 -0.032 0.000 0.997 205 E CA 1.080 57.463 56.400 -0.029 0.000 0.801 205 E CB -0.075 29.608 29.700 -0.028 0.000 0.746 205 E HN 0.070 nan 8.360 nan 0.000 0.450 206 R N 1.030 121.475 120.500 -0.091 0.000 2.082 206 R HA -0.138 4.202 4.340 -0.000 0.000 0.234 206 R C 2.052 178.238 176.300 -0.190 0.000 1.136 206 R CA 1.999 58.004 56.100 -0.157 0.000 0.935 206 R CB -0.726 29.396 30.300 -0.297 0.000 0.842 206 R HN 0.163 nan 8.270 nan 0.000 0.430 207 A N -0.767 121.889 122.820 -0.273 0.000 2.016 207 A HA 0.232 4.552 4.320 -0.000 0.000 0.217 207 A C 1.624 179.305 177.584 0.161 0.000 1.162 207 A CA 1.224 53.215 52.037 -0.076 0.000 0.662 207 A CB -1.030 17.902 19.000 -0.113 0.000 0.812 207 A HN 0.663 nan 8.150 nan 0.000 0.450 208 G N 0.168 109.010 108.800 0.070 0.000 2.634 208 G HA2 -0.389 3.571 3.960 -0.000 0.000 0.309 208 G HA3 -0.389 3.571 3.960 -0.000 0.000 0.309 208 G C 0.836 175.788 174.900 0.086 0.000 1.265 208 G CA 0.719 45.865 45.100 0.077 0.000 0.998 208 G HN 0.387 nan 8.290 nan 0.000 0.551 209 K N 1.920 122.372 120.400 0.086 0.000 2.400 209 K HA 0.138 4.458 4.320 -0.000 0.000 0.194 209 K C 0.829 177.483 176.600 0.091 0.000 1.033 209 K CA 0.531 56.861 56.287 0.072 0.000 1.021 209 K CB -0.136 32.393 32.500 0.048 0.000 0.808 209 K HN 0.577 nan 8.250 nan 0.000 0.505 210 D N 1.536 122.019 120.400 0.138 0.000 2.369 210 D HA 0.016 4.656 4.640 -0.000 0.000 0.241 210 D C 0.117 176.536 176.300 0.198 0.000 1.271 210 D CA 0.085 54.179 54.000 0.157 0.000 0.942 210 D CB 0.886 41.807 40.800 0.202 0.000 1.129 210 D HN -0.145 nan 8.370 nan 0.000 0.476 211 R N 0.023 120.642 120.500 0.198 0.000 2.407 211 R HA 0.446 4.786 4.340 -0.000 0.000 0.303 211 R C -1.209 175.349 176.300 0.429 0.000 0.981 211 R CA -0.644 55.616 56.100 0.266 0.000 0.905 211 R CB 1.023 31.410 30.300 0.143 0.000 1.099 211 R HN 0.121 nan 8.270 nan 0.000 0.459 212 V N 5.803 125.950 119.914 0.388 0.000 2.417 212 V HA 0.350 4.469 4.120 -0.000 0.000 0.291 212 V C -0.497 175.656 176.094 0.099 0.000 1.024 212 V CA -0.864 61.606 62.300 0.284 0.000 0.861 212 V CB 1.417 33.347 31.823 0.179 0.000 0.985 212 V HN 0.610 nan 8.190 nan 0.000 0.436 213 L N 6.989 128.070 121.223 -0.237 0.000 2.334 213 L HA 0.917 5.257 4.340 -0.000 0.000 0.275 213 L C -0.707 176.015 176.870 -0.246 0.000 1.036 213 L CA -0.043 54.411 54.840 -0.643 0.000 0.807 213 L CB 1.566 42.747 42.059 -1.462 0.000 1.231 213 L HN 0.718 nan 8.230 nan 0.000 0.438 214 L N 2.243 123.426 121.223 -0.066 0.000 2.653 214 L HA 0.954 5.294 4.340 -0.000 0.000 0.257 214 L C -1.343 175.638 176.870 0.185 0.000 0.969 214 L CA -0.869 54.018 54.840 0.079 0.000 0.869 214 L CB 1.580 43.647 42.059 0.015 0.000 1.439 214 L HN 0.744 nan 8.230 nan 0.000 0.414 215 A N 1.830 124.686 122.820 0.061 0.000 2.310 215 A HA 0.838 5.157 4.320 -0.000 0.000 0.299 215 A C -0.645 176.980 177.584 0.067 0.000 1.147 215 A CA -0.589 51.446 52.037 -0.004 0.000 0.818 215 A CB 1.535 20.378 19.000 -0.262 0.000 1.096 215 A HN 0.621 nan 8.150 nan 0.000 0.495 216 V N 1.878 121.884 119.914 0.154 0.000 2.588 216 V HA 0.458 4.578 4.120 -0.000 0.000 0.304 216 V C 0.834 177.108 176.094 0.301 0.000 1.042 216 V CA 0.417 62.848 62.300 0.218 0.000 0.877 216 V CB 2.084 34.066 31.823 0.264 0.000 0.996 216 V HN 1.231 nan 8.190 nan 0.000 0.425 217 S N 1.818 117.665 115.700 0.245 0.000 2.549 217 S HA 0.394 4.864 4.470 -0.000 0.000 0.225 217 S C 1.207 176.079 174.600 0.454 0.000 1.039 217 S CA 0.731 59.056 58.200 0.208 0.000 0.942 217 S CB 1.092 64.320 63.200 0.047 0.000 0.881 217 S HN 1.902 nan 8.310 nan 0.000 0.503 218 G N 0.684 109.686 108.800 0.337 0.000 2.231 218 G HA2 -0.035 3.925 3.960 -0.000 0.000 0.206 218 G HA3 -0.035 3.925 3.960 -0.000 0.000 0.206 218 G C 0.485 175.462 174.900 0.128 0.000 0.996 218 G CA -0.246 44.973 45.100 0.198 0.000 0.645 218 G HN 1.059 nan 8.290 nan 0.000 0.498 219 G N -0.336 108.551 108.800 0.146 0.000 2.527 219 G HA2 0.518 4.477 3.960 -0.000 0.000 0.248 219 G HA3 0.518 4.477 3.960 -0.000 0.000 0.248 219 G C 1.265 176.223 174.900 0.097 0.000 1.231 219 G CA 0.574 45.748 45.100 0.124 0.000 0.838 219 G HN 0.966 nan 8.290 nan 0.000 0.570 220 V N 0.704 120.668 119.914 0.083 0.000 2.469 220 V HA -0.148 3.972 4.120 -0.000 0.000 0.251 220 V C 2.292 178.430 176.094 0.074 0.000 1.064 220 V CA 2.745 65.082 62.300 0.062 0.000 1.066 220 V CB -0.340 31.510 31.823 0.046 0.000 0.667 220 V HN 0.877 nan 8.190 nan 0.000 0.461 221 D N 0.221 120.677 120.400 0.094 0.000 2.095 221 D HA -0.178 4.462 4.640 -0.000 0.000 0.192 221 D C 2.392 178.820 176.300 0.212 0.000 0.990 221 D CA 2.288 56.375 54.000 0.146 0.000 0.836 221 D CB -0.332 40.554 40.800 0.143 0.000 0.979 221 D HN 0.626 nan 8.370 nan 0.000 0.447 222 S N -0.526 115.263 115.700 0.147 0.000 2.399 222 S HA -0.094 4.376 4.470 -0.000 0.000 0.231 222 S C 2.258 176.924 174.600 0.110 0.000 1.022 222 S CA 1.488 59.759 58.200 0.119 0.000 0.983 222 S CB -0.347 62.905 63.200 0.087 0.000 0.803 222 S HN 0.133 nan 8.310 nan 0.000 0.480 223 S N 1.572 117.334 115.700 0.102 0.000 2.368 223 S HA -0.055 4.415 4.470 -0.000 0.000 0.224 223 S C 2.036 176.682 174.600 0.077 0.000 1.029 223 S CA 1.650 59.893 58.200 0.071 0.000 0.988 223 S CB -0.830 62.397 63.200 0.046 0.000 0.838 223 S HN 0.755 nan 8.310 nan 0.000 0.462 224 T N 2.510 117.134 114.554 0.116 0.000 2.867 224 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 224 T C 1.694 176.540 174.700 0.242 0.000 1.057 224 T CA 0.649 62.835 62.100 0.143 0.000 1.136 224 T CB -0.300 68.623 68.868 0.092 0.000 0.874 224 T HN 0.142 nan 8.240 nan 0.000 0.466 225 L N 1.775 123.162 121.223 0.274 0.000 2.046 225 L HA 0.133 4.473 4.340 -0.000 0.000 0.208 225 L C 2.605 179.447 176.870 -0.047 0.000 1.077 225 L CA 1.768 56.643 54.840 0.060 0.000 0.747 225 L CB -1.279 40.743 42.059 -0.063 0.000 0.896 225 L HN 0.220 nan 8.230 nan 0.000 0.432 226 A N -0.808 121.998 122.820 -0.024 0.000 1.877 226 A HA -0.177 4.143 4.320 -0.000 0.000 0.216 226 A C 2.124 179.628 177.584 -0.133 0.000 1.186 226 A CA 1.886 53.868 52.037 -0.093 0.000 0.620 226 A CB -0.854 18.140 19.000 -0.010 0.000 0.822 226 A HN 0.417 nan 8.150 nan 0.000 0.443 227 L N -1.006 120.192 121.223 -0.043 0.000 2.131 227 L HA -0.114 4.225 4.340 -0.000 0.000 0.210 227 L C 2.341 179.182 176.870 -0.048 0.000 1.092 227 L CA 1.394 56.213 54.840 -0.035 0.000 0.759 227 L CB -0.962 41.098 42.059 0.002 0.000 0.903 227 L HN 0.464 nan 8.230 nan 0.000 0.435 228 L N -1.110 120.095 121.223 -0.031 0.000 2.027 228 L HA -0.164 4.176 4.340 -0.000 0.000 0.206 228 L C 2.314 179.122 176.870 -0.104 0.000 1.074 228 L CA 1.663 56.483 54.840 -0.034 0.000 0.745 228 L CB -0.452 41.612 42.059 0.009 0.000 0.898 228 L HN 0.149 nan 8.230 nan 0.000 0.433 229 L N -0.575 120.537 121.223 -0.185 0.000 2.017 229 L HA -0.205 4.135 4.340 -0.000 0.000 0.208 229 L C 2.700 179.434 176.870 -0.226 0.000 1.073 229 L CA 1.335 56.031 54.840 -0.240 0.000 0.745 229 L CB -1.100 40.731 42.059 -0.380 0.000 0.894 229 L HN 0.374 nan 8.230 nan 0.000 0.432 230 A N 0.098 122.737 122.820 -0.301 0.000 1.902 230 A HA -0.259 4.061 4.320 -0.000 0.000 0.217 230 A C 2.318 179.892 177.584 -0.016 0.000 1.181 230 A CA 2.103 54.088 52.037 -0.086 0.000 0.623 230 A CB -0.413 18.570 19.000 -0.029 0.000 0.818 230 A HN 0.246 nan 8.150 nan 0.000 0.443 231 K N 0.137 120.513 120.400 -0.040 0.000 2.097 231 K HA 0.114 4.433 4.320 -0.000 0.000 0.205 231 K C 1.812 178.399 176.600 -0.021 0.000 1.050 231 K CA 1.420 57.694 56.287 -0.022 0.000 0.938 231 K CB -0.501 31.983 32.500 -0.026 0.000 0.718 231 K HN 0.313 nan 8.250 nan 0.000 0.442 232 A N -0.448 122.350 122.820 -0.035 0.000 2.119 232 A HA 0.190 4.510 4.320 -0.000 0.000 0.217 232 A C 1.500 179.079 177.584 -0.008 0.000 1.153 232 A CA 1.068 53.086 52.037 -0.031 0.000 0.692 232 A CB -0.733 18.236 19.000 -0.052 0.000 0.799 232 A HN 0.546 nan 8.150 nan 0.000 0.458 233 G N -1.082 107.725 108.800 0.012 0.000 2.136 233 G HA2 -0.125 3.834 3.960 -0.000 0.000 0.242 233 G HA3 -0.125 3.834 3.960 -0.000 0.000 0.242 233 G C 0.405 175.343 174.900 0.064 0.000 0.989 233 G CA 0.606 45.730 45.100 0.041 0.000 0.682 233 G HN 1.814 nan 8.290 nan 0.000 0.522 234 V N -1.360 118.595 119.914 0.068 0.000 2.649 234 V HA 0.668 4.788 4.120 -0.000 0.000 0.292 234 V C 0.469 176.689 176.094 0.210 0.000 1.055 234 V CA -0.584 61.774 62.300 0.096 0.000 1.023 234 V CB 1.741 33.590 31.823 0.044 0.000 0.992 234 V HN 0.274 nan 8.190 nan 0.000 0.480 235 D N 4.645 125.146 120.400 0.169 0.000 2.417 235 D HA 0.302 4.942 4.640 -0.000 0.000 0.250 235 D C -0.067 176.377 176.300 0.239 0.000 1.166 235 D CA 0.682 54.775 54.000 0.156 0.000 0.881 235 D CB 0.187 41.046 40.800 0.098 0.000 1.164 235 D HN 1.071 nan 8.370 nan 0.000 0.467 236 H N 1.774 120.912 119.070 0.114 0.000 2.981 236 H HA 0.543 5.099 4.556 -0.000 0.000 0.327 236 H C -2.005 173.407 175.328 0.140 0.000 1.342 236 H CA -1.157 54.971 56.048 0.132 0.000 1.123 236 H CB 0.416 30.216 29.762 0.062 0.000 1.851 236 H HN 0.321 nan 8.280 nan 0.000 0.531 237 L N 1.591 122.884 121.223 0.117 0.000 2.441 237 L HA 0.714 5.054 4.340 -0.000 0.000 0.270 237 L C -1.065 175.864 176.870 0.097 0.000 0.973 237 L CA -0.228 54.645 54.840 0.055 0.000 0.842 237 L CB 1.413 43.545 42.059 0.122 0.000 1.239 237 L HN 0.938 nan 8.230 nan 0.000 0.406 238 A N 4.877 127.802 122.820 0.175 0.000 2.274 238 A HA 0.742 5.062 4.320 -0.000 0.000 0.309 238 A C -0.906 176.775 177.584 0.163 0.000 1.226 238 A CA -0.468 51.674 52.037 0.174 0.000 0.853 238 A CB 0.955 20.069 19.000 0.190 0.000 1.146 238 A HN 0.524 nan 8.150 nan 0.000 0.518 239 V N 3.168 123.205 119.914 0.206 0.000 2.384 239 V HA 0.340 4.460 4.120 -0.000 0.000 0.287 239 V C -0.897 175.363 176.094 0.276 0.000 1.020 239 V CA -0.223 62.219 62.300 0.237 0.000 0.850 239 V CB 0.974 32.984 31.823 0.313 0.000 0.987 239 V HN 0.760 nan 8.190 nan 0.000 0.436 240 F N 5.797 125.799 119.950 0.086 0.000 2.332 240 F HA 0.566 5.093 4.527 -0.000 0.000 0.368 240 F C -0.012 175.815 175.800 0.045 0.000 1.110 240 F CA -0.622 57.413 58.000 0.060 0.000 1.087 240 F CB 1.304 40.324 39.000 0.033 0.000 1.235 240 F HN 0.271 nan 8.300 nan 0.000 0.470 241 V N 5.656 125.382 119.914 -0.313 0.000 2.389 241 V HA 0.083 4.203 4.120 -0.000 0.000 0.264 241 V C -0.054 175.706 176.094 -0.557 0.000 1.049 241 V CA -0.491 61.645 62.300 -0.274 0.000 0.932 241 V CB 0.790 32.520 31.823 -0.154 0.000 1.011 241 V HN 0.550 nan 8.190 nan 0.000 0.475 242 D N 4.314 124.534 120.400 -0.300 0.000 2.453 242 D HA 0.086 4.726 4.640 -0.000 0.000 0.223 242 D C 1.349 177.558 176.300 -0.152 0.000 1.183 242 D CA -0.289 53.573 54.000 -0.229 0.000 0.933 242 D CB 0.306 41.130 40.800 0.040 0.000 1.038 242 D HN 0.820 nan 8.370 nan 0.000 0.513 243 H N 1.623 120.451 119.070 -0.402 0.000 2.556 243 H HA 0.219 4.775 4.556 -0.000 0.000 0.273 243 H C 1.290 176.453 175.328 -0.275 0.000 1.030 243 H CA 0.026 55.649 56.048 -0.708 0.000 1.156 243 H CB 0.128 29.012 29.762 -1.464 0.000 1.326 243 H HN 0.460 nan 8.280 nan 0.000 0.609 244 G N 1.571 110.456 108.800 0.142 0.000 2.175 244 G HA2 -0.312 3.648 3.960 -0.000 0.000 0.265 244 G HA3 -0.312 3.648 3.960 -0.000 0.000 0.265 244 G C 0.573 175.500 174.900 0.046 0.000 0.979 244 G CA 0.588 45.748 45.100 0.100 0.000 0.663 244 G HN 0.525 nan 8.290 nan 0.000 0.533 245 L N -0.140 121.070 121.223 -0.022 0.000 2.965 245 L HA 0.463 4.803 4.340 -0.000 0.000 0.254 245 L C 1.082 178.037 176.870 0.143 0.000 1.220 245 L CA -0.362 54.374 54.840 -0.173 0.000 1.023 245 L CB 0.074 41.722 42.059 -0.684 0.000 1.355 245 L HN 0.128 nan 8.230 nan 0.000 0.545 246 L N -0.333 121.042 121.223 0.254 0.000 2.431 246 L HA 0.420 4.760 4.340 -0.000 0.000 0.260 246 L C 0.734 177.651 176.870 0.077 0.000 1.098 246 L CA -0.736 54.250 54.840 0.244 0.000 0.800 246 L CB 0.720 42.892 42.059 0.188 0.000 1.210 246 L HN 0.138 nan 8.230 nan 0.000 0.465 247 R N 0.178 120.595 120.500 -0.139 0.000 2.679 247 R HA 0.239 4.579 4.340 -0.000 0.000 0.269 247 R C -0.639 175.634 176.300 -0.046 0.000 1.076 247 R CA -0.846 55.184 56.100 -0.116 0.000 1.160 247 R CB 0.288 30.431 30.300 -0.261 0.000 1.054 247 R HN 0.234 nan 8.270 nan 0.000 0.507 248 L N 1.893 123.104 121.223 -0.019 0.000 2.559 248 L HA 0.055 4.395 4.340 -0.000 0.000 0.274 248 L C 1.174 178.031 176.870 -0.022 0.000 1.205 248 L CA 1.874 56.710 54.840 -0.007 0.000 0.907 248 L CB 0.314 42.373 42.059 0.001 0.000 1.153 248 L HN 0.915 nan 8.230 nan 0.000 0.490 249 G N 2.669 111.462 108.800 -0.011 0.000 2.168 249 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.263 249 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.263 249 G C 0.997 175.875 174.900 -0.036 0.000 0.977 249 G CA 0.816 45.903 45.100 -0.022 0.000 0.659 249 G HN 0.734 nan 8.290 nan 0.000 0.533 250 E N 0.108 120.287 120.200 -0.034 0.000 2.072 250 E HA -0.088 4.262 4.350 -0.000 0.000 0.191 250 E C 2.363 178.946 176.600 -0.030 0.000 0.985 250 E CA 1.178 57.551 56.400 -0.046 0.000 0.801 250 E CB -0.184 29.478 29.700 -0.064 0.000 0.750 250 E HN 0.602 nan 8.360 nan 0.000 0.452 251 R N 0.644 121.171 120.500 0.046 0.000 2.080 251 R HA -0.217 4.122 4.340 -0.000 0.000 0.236 251 R C 2.124 178.352 176.300 -0.121 0.000 1.137 251 R CA 2.180 58.298 56.100 0.031 0.000 0.943 251 R CB -0.225 30.178 30.300 0.172 0.000 0.846 251 R HN 0.268 nan 8.270 nan 0.000 0.431 252 E N 0.101 120.265 120.200 -0.059 0.000 2.085 252 E HA -0.220 4.129 4.350 -0.000 0.000 0.194 252 E C 2.075 178.613 176.600 -0.102 0.000 0.994 252 E CA 1.502 57.860 56.400 -0.071 0.000 0.801 252 E CB -0.080 29.597 29.700 -0.038 0.000 0.743 252 E HN 0.529 nan 8.360 nan 0.000 0.453 253 E N 0.384 120.522 120.200 -0.103 0.000 2.051 253 E HA -0.172 4.178 4.350 -0.000 0.000 0.192 253 E C 2.262 178.775 176.600 -0.145 0.000 0.991 253 E CA 1.235 57.571 56.400 -0.108 0.000 0.799 253 E CB 0.069 29.710 29.700 -0.099 0.000 0.748 253 E HN 0.064 nan 8.360 nan 0.000 0.449 254 V N 1.988 121.773 119.914 -0.215 0.000 2.270 254 V HA -0.279 3.841 4.120 -0.000 0.000 0.245 254 V C 2.459 178.375 176.094 -0.297 0.000 1.043 254 V CA 2.266 64.393 62.300 -0.289 0.000 1.014 254 V CB -0.747 30.779 31.823 -0.496 0.000 0.645 254 V HN 0.415 nan 8.190 nan 0.000 0.447 255 E N 1.054 121.047 120.200 -0.345 0.000 2.077 255 E HA -0.161 4.189 4.350 -0.000 0.000 0.193 255 E C 2.264 178.786 176.600 -0.129 0.000 0.989 255 E CA 1.661 57.919 56.400 -0.236 0.000 0.800 255 E CB -0.785 28.797 29.700 -0.195 0.000 0.746 255 E HN 0.477 nan 8.360 nan 0.000 0.452 256 G N 1.203 109.936 108.800 -0.112 0.000 2.421 256 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.216 256 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.216 256 G C 1.777 176.639 174.900 -0.065 0.000 1.171 256 G CA 1.259 46.316 45.100 -0.073 0.000 0.775 256 G HN 0.465 nan 8.290 nan 0.000 0.543 257 A N 0.477 123.251 122.820 -0.076 0.000 1.872 257 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 257 A C 2.438 179.993 177.584 -0.048 0.000 1.187 257 A CA 1.146 53.147 52.037 -0.060 0.000 0.614 257 A CB -0.391 18.570 19.000 -0.065 0.000 0.826 257 A HN 0.333 nan 8.150 nan 0.000 0.442 258 L N -1.025 120.162 121.223 -0.060 0.000 2.093 258 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 258 L C 2.842 179.705 176.870 -0.011 0.000 1.085 258 L CA 1.164 55.984 54.840 -0.033 0.000 0.755 258 L CB -0.517 41.518 42.059 -0.040 0.000 0.904 258 L HN 0.362 nan 8.230 nan 0.000 0.435 259 R N 0.081 120.568 120.500 -0.022 0.000 2.092 259 R HA -0.076 4.264 4.340 -0.000 0.000 0.231 259 R C 2.440 178.738 176.300 -0.004 0.000 1.119 259 R CA 1.222 57.319 56.100 -0.006 0.000 0.970 259 R CB -0.416 29.875 30.300 -0.015 0.000 0.864 259 R HN 0.321 nan 8.270 nan 0.000 0.440 260 A N 1.145 123.956 122.820 -0.015 0.000 1.972 260 A HA -0.101 4.219 4.320 -0.000 0.000 0.219 260 A C 1.954 179.534 177.584 -0.006 0.000 1.169 260 A CA 1.130 53.160 52.037 -0.013 0.000 0.635 260 A CB -0.334 18.654 19.000 -0.021 0.000 0.810 260 A HN 0.196 nan 8.150 nan 0.000 0.446 261 L N -1.161 120.059 121.223 -0.004 0.000 2.612 261 L HA 0.226 4.566 4.340 -0.000 0.000 0.230 261 L C 1.432 178.312 176.870 0.016 0.000 1.140 261 L CA 0.461 55.302 54.840 0.001 0.000 0.896 261 L CB -0.069 41.988 42.059 -0.004 0.000 1.065 261 L HN 0.581 nan 8.230 nan 0.000 0.447 262 G N 0.854 109.670 108.800 0.026 0.000 2.149 262 G HA2 -0.237 3.723 3.960 -0.000 0.000 0.235 262 G HA3 -0.237 3.723 3.960 -0.000 0.000 0.235 262 G C 0.141 175.101 174.900 0.100 0.000 1.018 262 G CA 0.193 45.322 45.100 0.048 0.000 0.728 262 G HN 0.252 nan 8.290 nan 0.000 0.508 263 V N -1.761 118.219 119.914 0.111 0.000 2.539 263 V HA 0.718 4.838 4.120 -0.000 0.000 0.292 263 V C 0.184 176.404 176.094 0.210 0.000 1.045 263 V CA -1.488 60.960 62.300 0.247 0.000 0.945 263 V CB 1.536 33.460 31.823 0.167 0.000 0.993 263 V HN 0.187 nan 8.190 nan 0.000 0.464 264 N N 4.565 123.396 118.700 0.218 0.000 2.399 264 N HA 0.358 5.098 4.740 -0.000 0.000 0.259 264 N C -0.705 174.834 175.510 0.048 0.000 1.160 264 N CA 0.069 53.093 53.050 -0.043 0.000 0.946 264 N CB 1.065 39.346 38.487 -0.342 0.000 1.156 264 N HN 0.786 nan 8.380 nan 0.000 0.489 265 L N 2.864 124.118 121.223 0.052 0.000 2.346 265 L HA 0.574 4.914 4.340 -0.000 0.000 0.274 265 L C -1.035 175.874 176.870 0.065 0.000 1.007 265 L CA -0.628 54.254 54.840 0.071 0.000 0.818 265 L CB 1.713 43.801 42.059 0.048 0.000 1.284 265 L HN 0.395 nan 8.230 nan 0.000 0.424 266 L N 5.861 127.141 121.223 0.096 0.000 2.372 266 L HA 0.584 4.924 4.340 -0.000 0.000 0.274 266 L C -1.387 175.568 176.870 0.141 0.000 0.988 266 L CA -0.696 54.201 54.840 0.095 0.000 0.833 266 L CB 1.833 43.944 42.059 0.085 0.000 1.236 266 L HN 0.435 nan 8.230 nan 0.000 0.410 267 V N 5.589 125.584 119.914 0.135 0.000 2.407 267 V HA 0.329 4.449 4.120 -0.000 0.000 0.278 267 V C 0.075 176.254 176.094 0.143 0.000 1.037 267 V CA -0.506 61.913 62.300 0.199 0.000 0.900 267 V CB 1.712 33.643 31.823 0.179 0.000 0.983 267 V HN 0.471 nan 8.190 nan 0.000 0.459 268 V N 3.878 123.872 119.914 0.132 0.000 2.370 268 V HA 0.305 4.425 4.120 -0.000 0.000 0.283 268 V C -0.031 176.114 176.094 0.084 0.000 1.023 268 V CA -0.547 61.806 62.300 0.088 0.000 0.857 268 V CB 1.701 33.562 31.823 0.063 0.000 0.985 268 V HN 0.880 nan 8.190 nan 0.000 0.443 269 D N 4.743 125.196 120.400 0.088 0.000 2.393 269 D HA 0.415 5.054 4.640 -0.000 0.000 0.232 269 D C 0.423 176.790 176.300 0.112 0.000 1.192 269 D CA -0.100 53.956 54.000 0.092 0.000 0.882 269 D CB 1.529 42.378 40.800 0.082 0.000 1.038 269 D HN 0.640 nan 8.370 nan 0.000 0.499 270 A N 4.397 127.304 122.820 0.146 0.000 2.631 270 A HA 0.131 4.451 4.320 -0.000 0.000 0.294 270 A C 1.695 179.474 177.584 0.324 0.000 1.156 270 A CA -0.395 51.793 52.037 0.252 0.000 0.963 270 A CB 0.135 19.376 19.000 0.402 0.000 1.202 270 A HN 0.476 nan 8.150 nan 0.000 0.523 271 K N 0.428 120.947 120.400 0.197 0.000 2.020 271 K HA -0.176 4.144 4.320 -0.000 0.000 0.212 271 K C 1.352 178.068 176.600 0.193 0.000 1.050 271 K CA 1.681 58.076 56.287 0.180 0.000 0.929 271 K CB 0.001 32.571 32.500 0.117 0.000 0.714 271 K HN 0.370 nan 8.250 nan 0.000 0.443 272 E N 0.629 120.918 120.200 0.148 0.000 2.072 272 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 272 E C 2.006 178.678 176.600 0.120 0.000 0.985 272 E CA 0.891 57.359 56.400 0.115 0.000 0.801 272 E CB -0.209 29.539 29.700 0.080 0.000 0.750 272 E HN 0.268 nan 8.360 nan 0.000 0.452 273 R N -0.115 120.467 120.500 0.137 0.000 2.097 273 R HA -0.165 4.174 4.340 -0.000 0.000 0.236 273 R C 2.364 178.674 176.300 0.017 0.000 1.135 273 R CA 1.694 57.829 56.100 0.059 0.000 0.934 273 R CB -0.403 29.924 30.300 0.047 0.000 0.846 273 R HN 0.106 nan 8.270 nan 0.000 0.431 274 F N 0.356 120.344 119.950 0.063 0.000 2.102 274 F HA -0.192 4.334 4.527 -0.000 0.000 0.298 274 F C 2.244 178.067 175.800 0.039 0.000 1.105 274 F CA 1.004 59.041 58.000 0.062 0.000 1.239 274 F CB -0.510 38.544 39.000 0.090 0.000 0.991 274 F HN 0.121 nan 8.300 nan 0.000 0.474 275 L N 0.690 122.048 121.223 0.225 0.000 2.012 275 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 275 L C 2.319 179.237 176.870 0.081 0.000 1.073 275 L CA 1.893 56.810 54.840 0.127 0.000 0.748 275 L CB -0.802 41.319 42.059 0.103 0.000 0.891 275 L HN 0.041 nan 8.230 nan 0.000 0.431 276 K N -0.834 119.606 120.400 0.066 0.000 2.032 276 K HA -0.169 4.151 4.320 -0.000 0.000 0.209 276 K C 1.928 178.540 176.600 0.020 0.000 1.048 276 K CA 1.395 57.704 56.287 0.036 0.000 0.927 276 K CB -0.269 32.247 32.500 0.025 0.000 0.712 276 K HN 0.469 nan 8.250 nan 0.000 0.441 277 A N 0.655 123.476 122.820 0.003 0.000 2.067 277 A HA -0.056 4.264 4.320 -0.000 0.000 0.219 277 A C 1.829 179.419 177.584 0.009 0.000 1.158 277 A CA 0.990 53.015 52.037 -0.020 0.000 0.661 277 A CB -0.223 18.723 19.000 -0.090 0.000 0.801 277 A HN 0.310 nan 8.150 nan 0.000 0.452 278 L N -1.094 120.152 121.223 0.038 0.000 2.585 278 L HA 0.108 4.448 4.340 -0.000 0.000 0.226 278 L C 1.018 177.910 176.870 0.037 0.000 1.113 278 L CA -0.171 54.697 54.840 0.045 0.000 0.876 278 L CB -0.083 42.016 42.059 0.067 0.000 1.072 278 L HN 0.263 nan 8.230 nan 0.000 0.468 279 K N 0.916 121.335 120.400 0.033 0.000 2.530 279 K HA 0.015 4.335 4.320 -0.000 0.000 0.280 279 K C 1.220 177.835 176.600 0.025 0.000 1.004 279 K CA 1.010 57.315 56.287 0.030 0.000 1.071 279 K CB 0.238 32.754 32.500 0.026 0.000 0.876 279 K HN 0.230 nan 8.250 nan 0.000 0.487 280 G N 2.060 110.876 108.800 0.026 0.000 2.189 280 G HA2 -0.257 3.702 3.960 -0.000 0.000 0.267 280 G HA3 -0.257 3.702 3.960 -0.000 0.000 0.267 280 G C -0.071 174.842 174.900 0.023 0.000 0.975 280 G CA 0.348 45.462 45.100 0.023 0.000 0.644 280 G HN 0.505 nan 8.290 nan 0.000 0.537 281 V N 0.215 120.144 119.914 0.025 0.000 2.406 281 V HA 0.556 4.676 4.120 -0.000 0.000 0.272 281 V C 0.934 177.044 176.094 0.027 0.000 1.043 281 V CA 0.217 62.531 62.300 0.024 0.000 0.915 281 V CB 1.503 33.341 31.823 0.025 0.000 0.988 281 V HN 0.304 nan 8.190 nan 0.000 0.466 282 E N 1.461 121.676 120.200 0.025 0.000 2.364 282 E HA 0.080 4.430 4.350 -0.000 0.000 0.203 282 E C 0.451 177.068 176.600 0.027 0.000 0.888 282 E CA -0.049 56.368 56.400 0.028 0.000 0.989 282 E CB 0.114 29.830 29.700 0.027 0.000 0.985 282 E HN 0.838 nan 8.360 nan 0.000 0.499 283 D N 2.337 122.751 120.400 0.022 0.000 2.434 283 D HA -0.027 4.612 4.640 -0.000 0.000 0.252 283 D C -1.356 174.957 176.300 0.021 0.000 1.185 283 D CA -1.314 52.697 54.000 0.020 0.000 0.886 283 D CB 1.113 41.922 40.800 0.015 0.000 1.148 283 D HN -0.104 nan 8.370 nan 0.000 0.483 284 P HA -0.227 nan 4.420 nan 0.000 0.215 284 P C 1.109 178.418 177.300 0.016 0.000 1.157 284 P CA 1.221 64.334 63.100 0.022 0.000 0.868 284 P CB 0.231 31.947 31.700 0.025 0.000 0.788 285 E N -0.301 119.907 120.200 0.014 0.000 2.150 285 E HA -0.215 4.135 4.350 -0.000 0.000 0.193 285 E C 2.135 178.744 176.600 0.015 0.000 0.985 285 E CA 0.778 57.185 56.400 0.012 0.000 0.814 285 E CB -0.119 29.586 29.700 0.009 0.000 0.752 285 E HN 0.037 nan 8.360 nan 0.000 0.466 286 E N 1.026 121.236 120.200 0.016 0.000 2.046 286 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 286 E C 1.705 178.319 176.600 0.024 0.000 0.982 286 E CA 1.424 57.836 56.400 0.019 0.000 0.800 286 E CB 0.060 29.770 29.700 0.017 0.000 0.756 286 E HN 0.132 nan 8.360 nan 0.000 0.449 287 K N -0.044 120.371 120.400 0.025 0.000 2.044 287 K HA -0.159 4.161 4.320 -0.000 0.000 0.210 287 K C 2.373 178.996 176.600 0.038 0.000 1.049 287 K CA 1.708 58.014 56.287 0.031 0.000 0.927 287 K CB -0.193 32.321 32.500 0.024 0.000 0.713 287 K HN 0.052 nan 8.250 nan 0.000 0.443 288 R N 0.608 121.124 120.500 0.026 0.000 2.115 288 R HA -0.044 4.296 4.340 -0.000 0.000 0.230 288 R C 2.181 178.505 176.300 0.039 0.000 1.111 288 R CA 0.872 56.987 56.100 0.025 0.000 0.976 288 R CB 0.039 30.345 30.300 0.009 0.000 0.870 288 R HN 0.036 nan 8.270 nan 0.000 0.445 289 K N 0.758 121.179 120.400 0.034 0.000 2.031 289 K HA -0.034 4.286 4.320 -0.000 0.000 0.205 289 K C 2.079 178.707 176.600 0.047 0.000 1.049 289 K CA 1.107 57.416 56.287 0.037 0.000 0.939 289 K CB -0.224 32.292 32.500 0.026 0.000 0.717 289 K HN 0.204 nan 8.250 nan 0.000 0.438 290 I N 1.254 121.850 120.570 0.043 0.000 2.179 290 I HA -0.268 3.902 4.170 -0.000 0.000 0.242 290 I C 2.135 178.292 176.117 0.067 0.000 1.088 290 I CA 0.838 62.158 61.300 0.034 0.000 1.357 290 I CB -0.276 37.740 38.000 0.026 0.000 1.051 290 I HN 0.017 nan 8.210 nan 0.000 0.409 291 I N 1.036 121.688 120.570 0.136 0.000 2.163 291 I HA -0.217 3.952 4.170 -0.000 0.000 0.243 291 I C 2.743 179.052 176.117 0.320 0.000 1.085 291 I CA 1.935 63.415 61.300 0.299 0.000 1.347 291 I CB -2.117 36.019 38.000 0.225 0.000 1.044 291 I HN 0.244 nan 8.210 nan 0.000 0.408 292 G N 0.557 109.466 108.800 0.181 0.000 2.446 292 G HA2 -0.306 3.653 3.960 -0.000 0.000 0.217 292 G HA3 -0.306 3.653 3.960 -0.000 0.000 0.217 292 G C 1.915 176.936 174.900 0.202 0.000 1.168 292 G CA 0.983 46.186 45.100 0.171 0.000 0.771 292 G HN 0.313 nan 8.290 nan 0.000 0.551 293 R N 0.178 120.749 120.500 0.119 0.000 2.080 293 R HA -0.106 4.234 4.340 -0.000 0.000 0.236 293 R C 2.478 178.805 176.300 0.045 0.000 1.137 293 R CA 1.714 57.858 56.100 0.074 0.000 0.943 293 R CB -0.247 30.069 30.300 0.025 0.000 0.846 293 R HN 0.218 nan 8.270 nan 0.000 0.431 294 E N -0.085 120.079 120.200 -0.060 0.000 2.160 294 E HA -0.223 4.127 4.350 -0.000 0.000 0.195 294 E C 1.669 178.231 176.600 -0.063 0.000 0.991 294 E CA 1.064 57.270 56.400 -0.323 0.000 0.810 294 E CB -0.314 28.733 29.700 -1.088 0.000 0.742 294 E HN 0.382 nan 8.360 nan 0.000 0.466 295 F N 1.323 121.385 119.950 0.187 0.000 2.128 295 F HA -0.196 4.331 4.527 -0.000 0.000 0.295 295 F C 2.350 178.271 175.800 0.203 0.000 1.100 295 F CA 1.473 59.673 58.000 0.333 0.000 1.260 295 F CB -0.213 38.939 39.000 0.253 0.000 1.009 295 F HN -0.072 nan 8.300 nan 0.000 0.476 296 V N -0.503 119.578 119.914 0.279 0.000 2.490 296 V HA -0.145 3.975 4.120 -0.000 0.000 0.250 296 V C 2.333 178.498 176.094 0.119 0.000 1.061 296 V CA 1.611 64.043 62.300 0.220 0.000 1.064 296 V CB -1.957 30.001 31.823 0.225 0.000 0.670 296 V HN 0.358 nan 8.190 nan 0.000 0.461 297 A N 0.776 123.631 122.820 0.059 0.000 1.898 297 A HA 0.148 4.468 4.320 -0.000 0.000 0.216 297 A C 2.490 180.074 177.584 -0.001 0.000 1.181 297 A CA 2.239 54.286 52.037 0.018 0.000 0.620 297 A CB -1.066 17.921 19.000 -0.022 0.000 0.819 297 A HN 0.956 nan 8.150 nan 0.000 0.442 298 A N -1.561 121.245 122.820 -0.023 0.000 1.929 298 A HA 0.054 4.373 4.320 -0.000 0.000 0.216 298 A C 2.001 179.569 177.584 -0.026 0.000 1.176 298 A CA 1.454 53.482 52.037 -0.017 0.000 0.628 298 A CB -0.621 18.398 19.000 0.031 0.000 0.816 298 A HN 0.581 nan 8.150 nan 0.000 0.444 299 F N 1.308 121.081 119.950 -0.294 0.000 2.146 299 F HA -0.090 4.437 4.527 -0.000 0.000 0.298 299 F C 2.516 178.258 175.800 -0.097 0.000 1.096 299 F CA 1.599 59.427 58.000 -0.287 0.000 1.275 299 F CB -0.424 38.309 39.000 -0.446 0.000 1.008 299 F HN 0.191 nan 8.300 nan 0.000 0.480 300 S N -0.247 115.444 115.700 -0.014 0.000 2.382 300 S HA -0.259 4.211 4.470 -0.000 0.000 0.228 300 S C 1.973 176.545 174.600 -0.047 0.000 1.027 300 S CA 1.302 59.483 58.200 -0.031 0.000 0.991 300 S CB -0.451 62.779 63.200 0.050 0.000 0.823 300 S HN 0.540 nan 8.310 nan 0.000 0.469 301 Q N 0.603 120.382 119.800 -0.034 0.000 2.124 301 Q HA -0.107 4.233 4.340 -0.000 0.000 0.202 301 Q C 2.053 178.037 176.000 -0.026 0.000 0.977 301 Q CA 1.318 57.109 55.803 -0.019 0.000 0.850 301 Q CB -0.112 28.621 28.738 -0.008 0.000 0.901 301 Q HN 0.376 nan 8.270 nan 0.000 0.429 302 V N 0.660 120.531 119.914 -0.071 0.000 2.295 302 V HA -0.274 3.846 4.120 -0.000 0.000 0.246 302 V C 2.322 178.399 176.094 -0.028 0.000 1.049 302 V CA 1.797 64.058 62.300 -0.065 0.000 1.024 302 V CB -1.051 30.695 31.823 -0.130 0.000 0.648 302 V HN 0.513 nan 8.190 nan 0.000 0.447 303 A N -0.273 122.466 122.820 -0.135 0.000 1.940 303 A HA -0.251 4.069 4.320 -0.000 0.000 0.219 303 A C 2.383 180.098 177.584 0.217 0.000 1.176 303 A CA 1.980 54.063 52.037 0.076 0.000 0.631 303 A CB -0.481 18.539 19.000 0.034 0.000 0.814 303 A HN 0.520 nan 8.150 nan 0.000 0.446 304 R N -0.565 119.988 120.500 0.089 0.000 2.057 304 R HA -0.086 4.254 4.340 -0.000 0.000 0.229 304 R C 2.162 178.487 176.300 0.041 0.000 1.136 304 R CA 1.549 57.685 56.100 0.059 0.000 0.952 304 R CB -0.327 29.986 30.300 0.022 0.000 0.848 304 R HN 0.693 nan 8.270 nan 0.000 0.430 305 E N 0.183 120.405 120.200 0.036 0.000 2.106 305 E HA -0.138 4.212 4.350 -0.000 0.000 0.192 305 E C 1.649 178.263 176.600 0.023 0.000 0.984 305 E CA 0.868 57.282 56.400 0.022 0.000 0.806 305 E CB 0.052 29.764 29.700 0.020 0.000 0.750 305 E HN 0.211 nan 8.360 nan 0.000 0.458 306 R N 0.845 121.389 120.500 0.073 0.000 2.393 306 R HA 0.138 4.478 4.340 -0.000 0.000 0.244 306 R C 0.890 177.103 176.300 -0.145 0.000 0.920 306 R CA -0.138 55.994 56.100 0.054 0.000 1.076 306 R CB 0.718 31.127 30.300 0.182 0.000 1.119 306 R HN 0.005 nan 8.270 nan 0.000 0.524 307 G N 2.424 111.149 108.800 -0.125 0.000 2.647 307 G HA2 0.113 4.073 3.960 -0.000 0.000 0.271 307 G HA3 0.113 4.073 3.960 -0.000 0.000 0.271 307 G C -1.875 172.788 174.900 -0.395 0.000 1.300 307 G CA -0.673 44.197 45.100 -0.383 0.000 0.997 307 G HN 0.027 nan 8.290 nan 0.000 0.533 308 P HA 0.495 nan 4.420 nan 0.000 0.278 308 P C -1.538 175.491 177.300 -0.452 0.000 1.258 308 P CA -0.348 62.596 63.100 -0.260 0.000 0.811 308 P CB 1.180 32.801 31.700 -0.130 0.000 1.063 309 F N 0.060 120.116 119.950 0.177 0.000 2.536 309 F HA 0.422 4.949 4.527 -0.000 0.000 0.322 309 F C 1.627 177.583 175.800 0.261 0.000 1.144 309 F CA -0.677 57.438 58.000 0.192 0.000 0.924 309 F CB 2.203 41.277 39.000 0.123 0.000 1.181 309 F HN 0.270 nan 8.300 nan 0.000 0.438 310 R N 1.991 122.623 120.500 0.219 0.000 2.100 310 R HA 0.186 4.526 4.340 -0.000 0.000 0.220 310 R C -0.451 175.739 176.300 -0.183 0.000 1.091 310 R CA 1.058 57.105 56.100 -0.088 0.000 0.986 310 R CB 0.260 30.326 30.300 -0.391 0.000 0.888 310 R HN 0.404 nan 8.270 nan 0.000 0.444 311 F N 0.394 120.482 119.950 0.229 0.000 2.508 311 F HA 0.365 4.892 4.527 -0.000 0.000 0.325 311 F C -0.516 175.248 175.800 -0.060 0.000 1.090 311 F CA -1.255 56.816 58.000 0.119 0.000 0.945 311 F CB 1.736 40.778 39.000 0.069 0.000 1.156 311 F HN -0.170 nan 8.300 nan 0.000 0.463 312 L N 3.171 124.478 121.223 0.140 0.000 2.316 312 L HA 0.820 5.160 4.340 -0.000 0.000 0.280 312 L C -0.572 176.316 176.870 0.029 0.000 1.006 312 L CA -0.580 54.209 54.840 -0.085 0.000 0.836 312 L CB 0.577 42.592 42.059 -0.073 0.000 1.221 312 L HN 0.654 nan 8.230 nan 0.000 0.418 313 A N 5.125 127.934 122.820 -0.019 0.000 2.309 313 A HA 0.764 5.083 4.320 -0.000 0.000 0.298 313 A C -0.501 177.051 177.584 -0.053 0.000 1.165 313 A CA -0.368 51.637 52.037 -0.054 0.000 0.821 313 A CB 0.539 19.478 19.000 -0.102 0.000 1.102 313 A HN 0.778 nan 8.150 nan 0.000 0.500 314 Q N 0.698 120.457 119.800 -0.068 0.000 2.421 314 Q HA 0.496 4.836 4.340 -0.000 0.000 0.280 314 Q C 0.409 176.368 176.000 -0.069 0.000 1.085 314 Q CA -0.524 55.251 55.803 -0.047 0.000 0.807 314 Q CB 2.154 30.887 28.738 -0.009 0.000 1.405 314 Q HN 0.828 nan 8.270 nan 0.000 0.419 315 G N 0.960 109.756 108.800 -0.008 0.000 3.379 315 G HA2 0.021 3.981 3.960 -0.000 0.000 0.253 315 G HA3 0.021 3.981 3.960 -0.000 0.000 0.253 315 G C 0.137 175.119 174.900 0.137 0.000 1.262 315 G CA -0.145 45.010 45.100 0.091 0.000 0.959 315 G HN 0.439 nan 8.290 nan 0.000 0.524 316 T N 1.578 116.174 114.554 0.070 0.000 2.849 316 T HA 0.100 4.450 4.350 -0.000 0.000 0.289 316 T C 0.593 175.368 174.700 0.125 0.000 1.010 316 T CA 0.553 62.698 62.100 0.075 0.000 1.161 316 T CB 0.682 69.580 68.868 0.050 0.000 0.989 316 T HN 0.075 nan 8.240 nan 0.000 0.523 317 L N 2.367 123.651 121.223 0.101 0.000 2.365 317 L HA 0.376 4.716 4.340 -0.000 0.000 0.267 317 L C 1.376 178.276 176.870 0.051 0.000 1.033 317 L CA -1.139 53.758 54.840 0.096 0.000 0.802 317 L CB 0.429 42.530 42.059 0.071 0.000 1.267 317 L HN 0.502 nan 8.230 nan 0.000 0.457 318 Y N 2.119 122.298 120.300 -0.201 0.000 2.207 318 Y HA -0.108 4.442 4.550 -0.000 0.000 0.287 318 Y C -0.777 174.984 175.900 -0.232 0.000 1.156 318 Y CA 1.287 59.202 58.100 -0.308 0.000 1.182 318 Y CB -1.209 36.843 38.460 -0.680 0.000 0.979 318 Y HN 0.424 nan 8.280 nan 0.000 0.521 319 P HA -0.122 nan 4.420 nan 0.000 0.218 319 P C 1.221 178.426 177.300 -0.157 0.000 1.149 319 P CA 2.073 65.067 63.100 -0.177 0.000 0.817 319 P CB 0.049 31.747 31.700 -0.004 0.000 0.785 320 D N -0.870 119.471 120.400 -0.098 0.000 2.117 320 D HA -0.083 4.557 4.640 -0.000 0.000 0.198 320 D C 1.992 178.241 176.300 -0.085 0.000 0.982 320 D CA 1.058 55.021 54.000 -0.062 0.000 0.828 320 D CB -0.573 40.218 40.800 -0.014 0.000 0.967 320 D HN 0.006 nan 8.370 nan 0.000 0.464 321 V N 2.003 121.854 119.914 -0.106 0.000 2.490 321 V HA -0.200 3.920 4.120 -0.000 0.000 0.250 321 V C 2.398 178.389 176.094 -0.172 0.000 1.061 321 V CA 0.897 63.142 62.300 -0.091 0.000 1.064 321 V CB -0.247 31.570 31.823 -0.009 0.000 0.670 321 V HN 0.189 nan 8.190 nan 0.000 0.461 322 I N -0.727 119.653 120.570 -0.317 0.000 2.493 322 I HA -0.040 4.130 4.170 -0.000 0.000 0.254 322 I C 1.526 177.549 176.117 -0.156 0.000 1.160 322 I CA 0.790 61.914 61.300 -0.293 0.000 1.445 322 I CB -0.920 36.853 38.000 -0.379 0.000 1.086 322 I HN 0.378 nan 8.210 nan 0.000 0.433 342 L N 1.747 123.054 121.223 0.140 0.000 2.466 342 L HA 0.399 4.739 4.340 -0.000 0.000 0.257 342 L C -1.319 175.603 176.870 0.087 0.000 1.189 342 L CA -1.597 53.335 54.840 0.153 0.000 0.813 342 L CB 0.603 42.791 42.059 0.215 0.000 1.118 342 L HN 0.280 nan 8.230 nan 0.000 0.471 343 P HA 0.021 nan 4.420 nan 0.000 0.271 343 P C 0.221 177.521 177.300 -0.001 0.000 1.238 343 P CA -0.242 62.876 63.100 0.030 0.000 0.794 343 P CB 0.521 32.235 31.700 0.024 0.000 0.959 344 E N 0.557 120.750 120.200 -0.010 0.000 2.028 344 E HA -0.202 4.148 4.350 -0.000 0.000 0.191 344 E C 1.498 178.065 176.600 -0.055 0.000 0.988 344 E CA 1.430 57.814 56.400 -0.027 0.000 0.799 344 E CB -0.366 29.322 29.700 -0.020 0.000 0.755 344 E HN 0.632 nan 8.360 nan 0.000 0.447 345 D N 1.130 121.498 120.400 -0.052 0.000 2.190 345 D HA -0.193 4.447 4.640 -0.000 0.000 0.200 345 D C 0.742 176.965 176.300 -0.129 0.000 0.992 345 D CA 0.845 54.802 54.000 -0.072 0.000 0.854 345 D CB -0.249 40.521 40.800 -0.050 0.000 0.936 345 D HN 0.159 nan 8.370 nan 0.000 0.462 346 L N 0.597 121.727 121.223 -0.156 0.000 2.292 346 L HA 0.396 4.736 4.340 -0.000 0.000 0.284 346 L C 0.140 176.747 176.870 -0.439 0.000 1.065 346 L CA -0.221 54.413 54.840 -0.343 0.000 0.806 346 L CB 1.226 43.136 42.059 -0.247 0.000 1.175 346 L HN -0.119 nan 8.230 nan 0.000 0.431 347 E N 3.352 123.129 120.200 -0.704 0.000 2.294 347 E HA 0.473 4.823 4.350 -0.000 0.000 0.272 347 E C -1.579 174.656 176.600 -0.607 0.000 0.896 347 E CA -0.420 55.690 56.400 -0.483 0.000 0.802 347 E CB 2.018 31.575 29.700 -0.238 0.000 1.267 347 E HN 0.228 nan 8.360 nan 0.000 0.406 348 F N 0.584 120.551 119.950 0.028 0.000 2.631 348 F HA 0.395 4.922 4.527 -0.000 0.000 0.328 348 F C 0.280 176.098 175.800 0.030 0.000 1.067 348 F CA -0.990 57.025 58.000 0.024 0.000 0.969 348 F CB 1.372 40.417 39.000 0.075 0.000 1.332 348 F HN 0.253 nan 8.300 nan 0.000 0.490 349 E N 1.386 121.735 120.200 0.249 0.000 2.133 349 E HA 0.386 4.736 4.350 -0.000 0.000 0.274 349 E C -1.126 175.693 176.600 0.364 0.000 0.930 349 E CA -0.550 55.988 56.400 0.230 0.000 0.770 349 E CB 1.038 30.817 29.700 0.131 0.000 1.104 349 E HN 0.559 nan 8.360 nan 0.000 0.403 350 L N 4.949 126.324 121.223 0.253 0.000 2.513 350 L HA 0.010 4.350 4.340 -0.000 0.000 0.272 350 L C -0.270 176.694 176.870 0.156 0.000 1.187 350 L CA 0.068 55.022 54.840 0.190 0.000 0.895 350 L CB 0.268 42.403 42.059 0.127 0.000 1.147 350 L HN 0.495 nan 8.230 nan 0.000 0.483 351 L N 5.138 126.411 121.223 0.083 0.000 2.324 351 L HA 0.317 4.657 4.340 -0.000 0.000 0.274 351 L C -0.550 176.266 176.870 -0.089 0.000 1.012 351 L CA 0.067 54.875 54.840 -0.053 0.000 0.859 351 L CB 1.149 43.119 42.059 -0.148 0.000 1.224 351 L HN 0.501 nan 8.230 nan 0.000 0.429 352 E N 6.112 126.264 120.200 -0.080 0.000 2.683 352 E HA 0.290 4.640 4.350 -0.000 0.000 0.224 352 E C -1.958 174.573 176.600 -0.115 0.000 1.046 352 E CA -1.476 54.868 56.400 -0.092 0.000 0.811 352 E CB 0.920 30.612 29.700 -0.013 0.000 1.296 352 E HN 0.486 nan 8.360 nan 0.000 0.421 353 P HA -0.093 nan 4.420 nan 0.000 0.220 353 P C 0.269 177.581 177.300 0.020 0.000 1.148 353 P CA 0.871 63.837 63.100 -0.223 0.000 0.803 353 P CB 0.175 31.608 31.700 -0.445 0.000 0.782 354 F N -0.529 119.428 119.950 0.011 0.000 2.664 354 F HA 0.234 4.761 4.527 -0.000 0.000 0.303 354 F C 1.878 177.708 175.800 0.049 0.000 1.092 354 F CA -0.756 57.264 58.000 0.034 0.000 1.305 354 F CB -1.022 37.995 39.000 0.028 0.000 1.054 354 F HN -0.069 nan 8.300 nan 0.000 0.565 355 R N 0.598 121.217 120.500 0.198 0.000 2.249 355 R HA -0.111 4.229 4.340 -0.000 0.000 0.230 355 R C 0.915 177.331 176.300 0.193 0.000 1.121 355 R CA 1.444 57.641 56.100 0.163 0.000 0.997 355 R CB -0.679 29.691 30.300 0.117 0.000 0.867 355 R HN 0.342 nan 8.270 nan 0.000 0.465 356 L N 0.442 121.759 121.223 0.157 0.000 2.640 356 L HA 0.267 4.606 4.340 -0.000 0.000 0.230 356 L C -0.156 176.670 176.870 -0.074 0.000 1.123 356 L CA -0.438 54.412 54.840 0.016 0.000 0.900 356 L CB 0.207 42.339 42.059 0.121 0.000 1.146 356 L HN 0.039 nan 8.230 nan 0.000 0.484 357 L N -1.033 120.234 121.223 0.073 0.000 2.358 357 L HA 0.452 4.792 4.340 -0.000 0.000 0.268 357 L C -0.270 176.529 176.870 -0.119 0.000 1.032 357 L CA -0.090 54.794 54.840 0.073 0.000 0.805 357 L CB 0.836 42.986 42.059 0.151 0.000 1.253 357 L HN -0.253 nan 8.230 nan 0.000 0.452 358 F N -0.044 119.981 119.950 0.124 0.000 2.440 358 F HA 0.367 4.894 4.527 -0.000 0.000 0.328 358 F C 1.448 177.250 175.800 0.004 0.000 1.070 358 F CA -0.500 57.533 58.000 0.056 0.000 1.011 358 F CB 1.105 40.104 39.000 -0.002 0.000 1.226 358 F HN 0.484 nan 8.300 nan 0.000 0.491 359 K N 0.792 121.302 120.400 0.184 0.000 2.020 359 K HA -0.241 4.078 4.320 -0.000 0.000 0.212 359 K C 1.395 178.024 176.600 0.048 0.000 1.050 359 K CA 2.500 58.834 56.287 0.078 0.000 0.929 359 K CB -0.290 32.261 32.500 0.084 0.000 0.714 359 K HN 0.798 nan 8.250 nan 0.000 0.443 360 D N 0.071 120.510 120.400 0.066 0.000 2.190 360 D HA -0.233 4.407 4.640 -0.000 0.000 0.200 360 D C 1.724 178.044 176.300 0.033 0.000 0.992 360 D CA 1.466 55.492 54.000 0.044 0.000 0.854 360 D CB -0.363 40.458 40.800 0.035 0.000 0.936 360 D HN 0.425 nan 8.370 nan 0.000 0.462 361 E N 0.524 120.765 120.200 0.069 0.000 2.150 361 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 361 E C 1.873 178.422 176.600 -0.085 0.000 0.985 361 E CA 0.695 57.125 56.400 0.049 0.000 0.814 361 E CB -0.179 29.631 29.700 0.183 0.000 0.752 361 E HN 0.221 nan 8.360 nan 0.000 0.466 362 V N 0.565 120.383 119.914 -0.160 0.000 2.453 362 V HA -0.134 3.986 4.120 -0.000 0.000 0.247 362 V C 2.525 178.500 176.094 -0.199 0.000 1.048 362 V CA 1.881 63.967 62.300 -0.357 0.000 1.049 362 V CB -0.507 31.033 31.823 -0.472 0.000 0.672 362 V HN 0.244 nan 8.190 nan 0.000 0.457 363 R N -0.031 120.412 120.500 -0.095 0.000 2.152 363 R HA -0.216 4.124 4.340 -0.000 0.000 0.232 363 R C 2.274 178.547 176.300 -0.045 0.000 1.117 363 R CA 1.647 57.720 56.100 -0.045 0.000 0.981 363 R CB -0.024 30.275 30.300 -0.003 0.000 0.870 363 R HN 0.565 nan 8.270 nan 0.000 0.451 364 E N 0.373 120.541 120.200 -0.054 0.000 2.158 364 E HA -0.078 4.272 4.350 -0.000 0.000 0.191 364 E C 1.764 178.323 176.600 -0.068 0.000 0.982 364 E CA 0.893 57.264 56.400 -0.048 0.000 0.823 364 E CB -0.109 29.567 29.700 -0.039 0.000 0.766 364 E HN 0.322 nan 8.360 nan 0.000 0.468 365 L N 0.042 121.202 121.223 -0.104 0.000 2.056 365 L HA -0.073 4.267 4.340 -0.000 0.000 0.207 365 L C 2.511 179.341 176.870 -0.066 0.000 1.078 365 L CA 1.039 55.817 54.840 -0.103 0.000 0.749 365 L CB -0.666 41.298 42.059 -0.157 0.000 0.901 365 L HN 0.226 nan 8.230 nan 0.000 0.433 366 A N 0.202 122.983 122.820 -0.064 0.000 1.940 366 A HA -0.248 4.072 4.320 -0.000 0.000 0.219 366 A C 2.208 179.775 177.584 -0.028 0.000 1.176 366 A CA 1.844 53.861 52.037 -0.034 0.000 0.631 366 A CB -0.639 18.344 19.000 -0.028 0.000 0.814 366 A HN 0.350 nan 8.150 nan 0.000 0.446 367 L N -0.846 120.358 121.223 -0.032 0.000 2.027 367 L HA -0.060 4.279 4.340 -0.000 0.000 0.206 367 L C 2.026 178.879 176.870 -0.028 0.000 1.074 367 L CA 1.713 56.537 54.840 -0.027 0.000 0.745 367 L CB -0.685 41.359 42.059 -0.025 0.000 0.898 367 L HN 0.235 nan 8.230 nan 0.000 0.433 368 L N -0.655 120.547 121.223 -0.035 0.000 2.191 368 L HA -0.123 4.217 4.340 -0.000 0.000 0.212 368 L C 2.227 179.079 176.870 -0.029 0.000 1.103 368 L CA 1.436 56.255 54.840 -0.035 0.000 0.769 368 L CB -0.810 41.221 42.059 -0.047 0.000 0.908 368 L HN 0.251 nan 8.230 nan 0.000 0.438 369 L N -1.105 120.103 121.223 -0.026 0.000 2.591 369 L HA 0.227 4.566 4.340 -0.000 0.000 0.228 369 L C 1.305 178.166 176.870 -0.016 0.000 1.133 369 L CA 0.527 55.356 54.840 -0.018 0.000 0.880 369 L CB -0.354 41.700 42.059 -0.009 0.000 1.033 369 L HN 0.479 nan 8.230 nan 0.000 0.450 370 G N 0.831 109.620 108.800 -0.018 0.000 2.132 370 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.228 370 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.228 370 G C -0.149 174.741 174.900 -0.018 0.000 1.000 370 G CA -0.228 44.862 45.100 -0.018 0.000 0.693 370 G HN 0.153 nan 8.290 nan 0.000 0.515 371 L N 2.808 124.020 121.223 -0.017 0.000 2.360 371 L HA 0.518 4.858 4.340 -0.000 0.000 0.276 371 L C -1.116 175.740 176.870 -0.023 0.000 1.121 371 L CA -1.979 52.850 54.840 -0.018 0.000 0.845 371 L CB 0.194 42.245 42.059 -0.014 0.000 1.143 371 L HN 0.072 nan 8.230 nan 0.000 0.452 372 P HA 0.025 nan 4.420 nan 0.000 0.268 372 P C -0.287 176.992 177.300 -0.036 0.000 1.205 372 P CA -0.173 62.908 63.100 -0.033 0.000 0.771 372 P CB 0.690 32.367 31.700 -0.038 0.000 0.858 373 D N 1.179 121.557 120.400 -0.036 0.000 2.271 373 D HA -0.144 4.496 4.640 -0.000 0.000 0.207 373 D C 1.850 178.117 176.300 -0.055 0.000 0.983 373 D CA 1.918 55.895 54.000 -0.037 0.000 0.878 373 D CB -0.620 40.159 40.800 -0.035 0.000 0.920 373 D HN 0.534 nan 8.370 nan 0.000 0.479 374 T N -1.587 112.926 114.554 -0.068 0.000 2.833 374 T HA -0.119 4.231 4.350 -0.000 0.000 0.269 374 T C 1.704 176.352 174.700 -0.087 0.000 1.054 374 T CA 0.640 62.683 62.100 -0.094 0.000 1.135 374 T CB -0.005 68.808 68.868 -0.092 0.000 0.869 374 T HN 0.063 nan 8.240 nan 0.000 0.466 375 L N -0.184 121.004 121.223 -0.059 0.000 2.609 375 L HA 0.442 4.782 4.340 -0.000 0.000 0.230 375 L C 2.510 179.370 176.870 -0.016 0.000 1.087 375 L CA 0.518 55.333 54.840 -0.041 0.000 0.874 375 L CB -0.788 41.247 42.059 -0.040 0.000 1.114 375 L HN 0.277 nan 8.230 nan 0.000 0.488 376 R N 0.241 120.731 120.500 -0.017 0.000 2.161 376 R HA 0.081 4.421 4.340 -0.000 0.000 0.213 376 R C 1.054 177.362 176.300 0.014 0.000 1.055 376 R CA 0.603 56.702 56.100 -0.002 0.000 0.996 376 R CB 0.334 30.629 30.300 -0.009 0.000 0.901 376 R HN 0.241 nan 8.270 nan 0.000 0.456 377 L N 2.373 123.601 121.223 0.010 0.000 3.017 377 L HA 0.281 4.621 4.340 -0.000 0.000 0.255 377 L C 0.029 176.941 176.870 0.071 0.000 1.247 377 L CA -0.512 54.352 54.840 0.040 0.000 1.038 377 L CB 0.268 42.347 42.059 0.032 0.000 1.380 377 L HN 0.088 nan 8.230 nan 0.000 0.548 378 R N -1.330 119.206 120.500 0.059 0.000 2.543 378 R HA 0.365 4.705 4.340 -0.000 0.000 0.268 378 R C -0.600 175.782 176.300 0.136 0.000 1.067 378 R CA -0.658 55.499 56.100 0.094 0.000 1.142 378 R CB 0.530 30.856 30.300 0.043 0.000 1.110 378 R HN 0.163 nan 8.270 nan 0.000 0.549 379 H N 0.726 119.942 119.070 0.243 0.000 2.679 379 H HA 0.176 4.731 4.556 -0.000 0.000 0.369 379 H C -1.713 173.710 175.328 0.158 0.000 1.178 379 H CA -1.574 54.539 56.048 0.109 0.000 1.419 379 H CB 0.414 30.179 29.762 0.005 0.000 1.458 379 H HN 0.513 nan 8.280 nan 0.000 0.605 380 P HA -0.029 nan 4.420 nan 0.000 0.269 380 P C -1.065 176.421 177.300 0.310 0.000 1.209 380 P CA 0.274 63.512 63.100 0.230 0.000 0.776 380 P CB 0.624 32.416 31.700 0.154 0.000 0.876 381 F N 3.659 123.668 119.950 0.099 0.000 2.539 381 F HA 0.403 4.930 4.527 -0.000 0.000 0.318 381 F C -2.149 173.688 175.800 0.061 0.000 1.135 381 F CA -2.582 55.472 58.000 0.091 0.000 0.915 381 F CB 1.315 40.377 39.000 0.103 0.000 1.176 381 F HN 0.204 nan 8.300 nan 0.000 0.440 382 P HA 0.191 nan 4.420 nan 0.000 0.270 382 P C 0.582 177.722 177.300 -0.266 0.000 1.223 382 P CA 0.025 62.956 63.100 -0.282 0.000 0.785 382 P CB 1.013 32.539 31.700 -0.291 0.000 0.923 383 G N 2.222 110.931 108.800 -0.152 0.000 2.446 383 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.217 383 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.217 383 G C -0.718 174.147 174.900 -0.058 0.000 1.168 383 G CA 0.502 45.528 45.100 -0.124 0.000 0.771 383 G HN 0.533 nan 8.290 nan 0.000 0.551 384 P HA 0.095 nan 4.420 nan 0.000 0.242 384 P C 1.549 178.693 177.300 -0.260 0.000 1.197 384 P CA 1.001 64.021 63.100 -0.134 0.000 0.765 384 P CB -0.221 31.424 31.700 -0.092 0.000 0.936 385 G N 1.805 110.387 108.800 -0.364 0.000 2.627 385 G HA2 -0.349 3.611 3.960 -0.000 0.000 0.312 385 G HA3 -0.349 3.611 3.960 -0.000 0.000 0.312 385 G C 0.915 175.613 174.900 -0.336 0.000 1.299 385 G CA 0.425 45.193 45.100 -0.553 0.000 0.989 385 G HN 0.287 nan 8.290 nan 0.000 0.547 386 L N 1.224 122.428 121.223 -0.031 0.000 2.450 386 L HA 0.035 4.375 4.340 -0.000 0.000 0.224 386 L C 3.324 180.166 176.870 -0.045 0.000 1.149 386 L CA 1.341 56.191 54.840 0.017 0.000 0.816 386 L CB -0.779 41.340 42.059 0.100 0.000 0.932 386 L HN 0.712 nan 8.230 nan 0.000 0.449 387 A N 0.311 123.075 122.820 -0.093 0.000 2.019 387 A HA -0.118 4.202 4.320 -0.000 0.000 0.219 387 A C 2.013 179.574 177.584 -0.038 0.000 1.164 387 A CA 1.641 53.642 52.037 -0.059 0.000 0.644 387 A CB -0.528 18.433 19.000 -0.065 0.000 0.805 387 A HN 0.345 nan 8.150 nan 0.000 0.449 388 V N -4.039 115.839 119.914 -0.059 0.000 3.633 388 V HA 0.270 4.390 4.120 -0.000 0.000 0.283 388 V C 1.179 177.269 176.094 -0.007 0.000 1.305 388 V CA 0.497 62.781 62.300 -0.026 0.000 1.153 388 V CB -0.705 31.095 31.823 -0.038 0.000 0.950 388 V HN 0.454 nan 8.190 nan 0.000 0.432 389 R N -0.189 120.295 120.500 -0.025 0.000 2.508 389 R HA 0.452 4.791 4.340 -0.000 0.000 0.300 389 R C -0.499 175.774 176.300 -0.045 0.000 0.970 389 R CA -0.045 56.031 56.100 -0.039 0.000 1.102 389 R CB 1.557 31.836 30.300 -0.035 0.000 1.246 389 R HN 0.434 nan 8.270 nan 0.000 0.539 390 V N 2.272 122.179 119.914 -0.012 0.000 2.378 390 V HA 0.230 4.350 4.120 -0.000 0.000 0.288 390 V C -0.559 175.557 176.094 0.036 0.000 1.016 390 V CA -0.818 61.483 62.300 0.002 0.000 0.840 390 V CB 1.760 33.587 31.823 0.006 0.000 0.994 390 V HN 0.087 nan 8.190 nan 0.000 0.431 391 L N 5.979 127.235 121.223 0.056 0.000 2.385 391 L HA 0.743 5.083 4.340 -0.000 0.000 0.285 391 L C 0.845 177.761 176.870 0.076 0.000 1.125 391 L CA 1.326 56.218 54.840 0.086 0.000 0.890 391 L CB 0.042 42.177 42.059 0.127 0.000 1.251 391 L HN 0.981 nan 8.230 nan 0.000 0.445 392 G N 2.366 111.203 108.800 0.062 0.000 2.343 392 G HA2 -0.088 3.872 3.960 -0.000 0.000 0.562 392 G HA3 -0.088 3.872 3.960 -0.000 0.000 0.562 392 G C -0.700 174.229 174.900 0.049 0.000 1.269 392 G CA -0.791 44.341 45.100 0.054 0.000 1.011 392 G HN 0.554 nan 8.290 nan 0.000 0.498 393 E N -0.659 119.569 120.200 0.046 0.000 2.452 393 E HA 0.296 4.646 4.350 -0.000 0.000 0.261 393 E C 0.175 176.802 176.600 0.045 0.000 0.987 393 E CA -0.281 56.144 56.400 0.042 0.000 0.926 393 E CB 0.637 30.361 29.700 0.040 0.000 0.934 393 E HN 0.489 nan 8.360 nan 0.000 0.452 394 V N 5.620 125.557 119.914 0.038 0.000 2.389 394 V HA 0.160 4.280 4.120 -0.000 0.000 0.264 394 V C 0.534 176.650 176.094 0.037 0.000 1.049 394 V CA 0.109 62.428 62.300 0.033 0.000 0.932 394 V CB 0.596 32.434 31.823 0.026 0.000 1.011 394 V HN 0.823 nan 8.190 nan 0.000 0.475 395 T N 0.711 115.287 114.554 0.036 0.000 2.926 395 T HA 0.465 4.814 4.350 -0.000 0.000 0.289 395 T C 0.729 175.446 174.700 0.027 0.000 1.054 395 T CA -0.550 61.572 62.100 0.037 0.000 1.015 395 T CB 2.132 71.028 68.868 0.046 0.000 1.167 395 T HN 0.406 nan 8.240 nan 0.000 0.526 396 E N 0.329 120.547 120.200 0.029 0.000 2.106 396 E HA -0.134 4.216 4.350 -0.000 0.000 0.192 396 E C 1.865 178.470 176.600 0.009 0.000 0.984 396 E CA 1.670 58.084 56.400 0.023 0.000 0.806 396 E CB -0.244 29.474 29.700 0.030 0.000 0.750 396 E HN 0.837 nan 8.360 nan 0.000 0.458 397 E N -0.023 120.184 120.200 0.012 0.000 2.110 397 E HA -0.207 4.143 4.350 -0.000 0.000 0.193 397 E C 2.073 178.640 176.600 -0.055 0.000 0.988 397 E CA 0.873 57.270 56.400 -0.004 0.000 0.804 397 E CB 0.010 29.725 29.700 0.026 0.000 0.745 397 E HN 0.180 nan 8.360 nan 0.000 0.458 398 R N 0.073 120.544 120.500 -0.048 0.000 2.075 398 R HA -0.065 4.275 4.340 -0.000 0.000 0.232 398 R C 2.617 178.854 176.300 -0.106 0.000 1.126 398 R CA 1.119 57.148 56.100 -0.118 0.000 0.963 398 R CB -0.262 30.019 30.300 -0.031 0.000 0.858 398 R HN 0.249 nan 8.270 nan 0.000 0.435 399 L N 0.704 121.899 121.223 -0.046 0.000 2.083 399 L HA -0.158 4.182 4.340 -0.000 0.000 0.209 399 L C 2.741 179.592 176.870 -0.031 0.000 1.083 399 L CA 1.039 55.863 54.840 -0.027 0.000 0.752 399 L CB -0.387 41.671 42.059 -0.001 0.000 0.899 399 L HN 0.241 nan 8.230 nan 0.000 0.433 400 E N 0.909 121.087 120.200 -0.037 0.000 2.072 400 E HA -0.196 4.154 4.350 -0.000 0.000 0.191 400 E C 2.212 178.777 176.600 -0.058 0.000 0.985 400 E CA 1.361 57.741 56.400 -0.033 0.000 0.801 400 E CB -0.000 29.685 29.700 -0.025 0.000 0.750 400 E HN 0.497 nan 8.360 nan 0.000 0.452 401 I N 0.708 121.211 120.570 -0.113 0.000 2.163 401 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 401 I C 2.648 178.691 176.117 -0.125 0.000 1.081 401 I CA 0.585 61.791 61.300 -0.155 0.000 1.353 401 I CB -0.343 37.464 38.000 -0.321 0.000 1.054 401 I HN 0.143 nan 8.210 nan 0.000 0.407 402 L N 1.138 122.284 121.223 -0.128 0.000 2.012 402 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 402 L C 2.631 179.489 176.870 -0.021 0.000 1.073 402 L CA 1.853 56.646 54.840 -0.078 0.000 0.748 402 L CB -0.674 41.347 42.059 -0.062 0.000 0.891 402 L HN 0.090 nan 8.230 nan 0.000 0.431 403 R N -0.827 119.669 120.500 -0.007 0.000 2.091 403 R HA -0.167 4.173 4.340 -0.000 0.000 0.238 403 R C 2.375 178.686 176.300 0.019 0.000 1.136 403 R CA 1.838 57.950 56.100 0.019 0.000 0.959 403 R CB -0.361 29.949 30.300 0.016 0.000 0.856 403 R HN 0.442 nan 8.270 nan 0.000 0.437 404 R N -0.062 120.438 120.500 0.000 0.000 2.075 404 R HA -0.041 4.299 4.340 -0.000 0.000 0.232 404 R C 2.322 178.634 176.300 0.020 0.000 1.126 404 R CA 1.255 57.359 56.100 0.007 0.000 0.963 404 R CB -0.251 30.044 30.300 -0.008 0.000 0.858 404 R HN 0.198 nan 8.270 nan 0.000 0.435 405 A N 1.152 123.975 122.820 0.005 0.000 1.873 405 A HA -0.219 4.101 4.320 -0.000 0.000 0.215 405 A C 1.775 179.407 177.584 0.080 0.000 1.186 405 A CA 1.823 53.867 52.037 0.013 0.000 0.616 405 A CB -0.547 18.431 19.000 -0.036 0.000 0.823 405 A HN 0.352 nan 8.150 nan 0.000 0.442 406 D N -0.309 120.147 120.400 0.093 0.000 2.104 406 D HA -0.229 4.411 4.640 -0.000 0.000 0.194 406 D C 1.630 178.047 176.300 0.194 0.000 0.994 406 D CA 1.712 55.821 54.000 0.182 0.000 0.830 406 D CB -0.222 40.666 40.800 0.147 0.000 0.959 406 D HN 0.454 nan 8.370 nan 0.000 0.452 407 D N -0.667 119.801 120.400 0.114 0.000 2.123 407 D HA -0.155 4.485 4.640 -0.000 0.000 0.196 407 D C 2.056 178.421 176.300 0.109 0.000 0.992 407 D CA 1.161 55.211 54.000 0.085 0.000 0.833 407 D CB -0.174 40.654 40.800 0.045 0.000 0.954 407 D HN 0.388 nan 8.370 nan 0.000 0.455 408 I N -0.431 120.212 120.570 0.122 0.000 2.315 408 I HA -0.158 4.012 4.170 -0.000 0.000 0.248 408 I C 1.944 178.197 176.117 0.227 0.000 1.117 408 I CA 0.376 61.757 61.300 0.134 0.000 1.404 408 I CB -0.301 37.754 38.000 0.092 0.000 1.071 408 I HN 0.087 nan 8.210 nan 0.000 0.419 409 F N 1.906 121.903 119.950 0.079 0.000 2.075 409 F HA -0.229 4.298 4.527 -0.000 0.000 0.297 409 F C 2.587 178.523 175.800 0.226 0.000 1.113 409 F CA 1.984 60.064 58.000 0.132 0.000 1.218 409 F CB -1.014 38.056 39.000 0.117 0.000 0.984 409 F HN -0.061 nan 8.300 nan 0.000 0.472 410 T N -0.123 114.511 114.554 0.133 0.000 2.684 410 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 410 T C 2.258 177.004 174.700 0.075 0.000 1.036 410 T CA 1.942 64.078 62.100 0.060 0.000 1.148 410 T CB -0.545 68.382 68.868 0.098 0.000 0.863 410 T HN 0.269 nan 8.240 nan 0.000 0.436 411 S N 1.108 116.864 115.700 0.093 0.000 2.368 411 S HA 0.045 4.515 4.470 -0.000 0.000 0.225 411 S C 2.038 176.745 174.600 0.178 0.000 1.030 411 S CA 0.850 59.103 58.200 0.088 0.000 0.999 411 S CB -0.425 62.823 63.200 0.080 0.000 0.844 411 S HN 0.353 nan 8.310 nan 0.000 0.459 412 L N 0.940 122.323 121.223 0.268 0.000 2.093 412 L HA -0.074 4.266 4.340 -0.000 0.000 0.208 412 L C 2.239 179.447 176.870 0.562 0.000 1.085 412 L CA 0.879 55.992 54.840 0.456 0.000 0.755 412 L CB -0.538 41.758 42.059 0.396 0.000 0.904 412 L HN 0.287 nan 8.230 nan 0.000 0.435 413 L N -0.609 120.816 121.223 0.336 0.000 2.012 413 L HA -0.240 4.100 4.340 -0.000 0.000 0.210 413 L C 2.881 179.838 176.870 0.146 0.000 1.073 413 L CA 1.426 56.294 54.840 0.047 0.000 0.748 413 L CB -0.442 41.581 42.059 -0.062 0.000 0.891 413 L HN 0.213 nan 8.230 nan 0.000 0.431 414 R N -0.257 120.333 120.500 0.149 0.000 2.081 414 R HA -0.218 4.122 4.340 -0.000 0.000 0.235 414 R C 2.209 178.572 176.300 0.105 0.000 1.131 414 R CA 1.629 57.773 56.100 0.074 0.000 0.960 414 R CB -0.359 29.902 30.300 -0.064 0.000 0.856 414 R HN 0.419 nan 8.270 nan 0.000 0.436 415 E N 0.121 120.425 120.200 0.173 0.000 2.097 415 E HA -0.219 4.131 4.350 -0.000 0.000 0.196 415 E C 1.038 177.667 176.600 0.049 0.000 1.000 415 E CA 1.406 57.872 56.400 0.111 0.000 0.804 415 E CB -0.052 29.741 29.700 0.155 0.000 0.740 415 E HN 0.376 nan 8.360 nan 0.000 0.454 416 W N -0.246 121.074 121.300 0.033 0.000 3.256 416 W HA 0.355 5.015 4.660 -0.000 0.000 0.269 416 W C 1.334 177.829 176.519 -0.041 0.000 1.310 416 W CA 0.614 57.962 57.345 0.005 0.000 1.673 416 W CB 0.209 29.675 29.460 0.010 0.000 1.115 416 W HN 0.302 nan 8.180 nan 0.000 0.686 417 G N 0.492 109.378 108.800 0.143 0.000 2.143 417 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.248 417 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.248 417 G C 0.717 175.647 174.900 0.050 0.000 0.991 417 G CA 0.473 45.618 45.100 0.075 0.000 0.689 417 G HN 0.357 nan 8.290 nan 0.000 0.522 418 L N -1.404 119.825 121.223 0.009 0.000 2.446 418 L HA 0.194 4.534 4.340 -0.000 0.000 0.219 418 L C 2.271 179.107 176.870 -0.056 0.000 1.116 418 L CA 0.582 55.358 54.840 -0.107 0.000 0.844 418 L CB -0.277 41.557 42.059 -0.374 0.000 0.970 418 L HN 0.346 nan 8.230 nan 0.000 0.457 419 Y N 1.705 121.953 120.300 -0.087 0.000 2.128 419 Y HA -0.291 4.259 4.550 -0.000 0.000 0.284 419 Y C 2.248 178.189 175.900 0.069 0.000 1.154 419 Y CA 1.862 59.948 58.100 -0.023 0.000 1.149 419 Y CB 0.087 38.494 38.460 -0.089 0.000 0.976 419 Y HN 0.209 nan 8.280 nan 0.000 0.505 420 E N -0.309 120.002 120.200 0.185 0.000 2.482 420 E HA -0.083 4.267 4.350 -0.000 0.000 0.196 420 E C 1.149 177.777 176.600 0.047 0.000 1.047 420 E CA 0.447 56.924 56.400 0.128 0.000 0.869 420 E CB -0.001 29.767 29.700 0.112 0.000 0.836 420 E HN 0.514 nan 8.360 nan 0.000 0.520 421 K N 0.945 121.346 120.400 0.001 0.000 2.410 421 K HA 0.096 4.416 4.320 -0.000 0.000 0.200 421 K C 0.175 176.728 176.600 -0.079 0.000 1.023 421 K CA 0.000 56.263 56.287 -0.040 0.000 1.149 421 K CB 0.882 33.353 32.500 -0.048 0.000 0.859 421 K HN -0.037 nan 8.250 nan 0.000 0.514 422 V N -4.335 115.518 119.914 -0.102 0.000 2.962 422 V HA 0.623 4.743 4.120 -0.000 0.000 0.313 422 V C 0.504 176.449 176.094 -0.247 0.000 1.099 422 V CA -0.895 61.301 62.300 -0.172 0.000 0.971 422 V CB 1.749 33.447 31.823 -0.209 0.000 1.028 422 V HN -0.082 nan 8.190 nan 0.000 0.430 423 A N 1.252 123.923 122.820 -0.248 0.000 2.072 423 A HA 0.401 4.721 4.320 -0.000 0.000 0.216 423 A C 0.897 178.224 177.584 -0.429 0.000 1.156 423 A CA 1.362 53.264 52.037 -0.224 0.000 0.701 423 A CB -0.129 18.801 19.000 -0.117 0.000 0.816 423 A HN 1.233 nan 8.150 nan 0.000 0.458 424 Q N -2.079 117.385 119.800 -0.559 0.000 2.386 424 Q HA 0.628 4.968 4.340 -0.000 0.000 0.274 424 Q C -1.682 174.089 176.000 -0.382 0.000 1.011 424 Q CA 0.299 55.784 55.803 -0.529 0.000 0.867 424 Q CB 1.689 30.336 28.738 -0.152 0.000 1.409 424 Q HN 0.645 nan 8.270 nan 0.000 0.395 425 A N 3.023 125.700 122.820 -0.238 0.000 2.437 425 A HA 0.801 5.121 4.320 -0.000 0.000 0.293 425 A C -1.819 175.920 177.584 0.258 0.000 1.038 425 A CA -0.403 51.663 52.037 0.048 0.000 0.708 425 A CB 0.574 19.477 19.000 -0.162 0.000 1.251 425 A HN 0.957 nan 8.150 nan 0.000 0.409 426 L N -0.814 120.653 121.223 0.405 0.000 2.491 426 L HA 1.080 5.420 4.340 -0.000 0.000 0.254 426 L C -0.354 176.670 176.870 0.258 0.000 1.048 426 L CA -0.804 54.236 54.840 0.333 0.000 0.855 426 L CB 1.659 43.832 42.059 0.190 0.000 1.466 426 L HN 1.205 nan 8.230 nan 0.000 0.409 427 A N 0.690 123.582 122.820 0.121 0.000 2.386 427 A HA 0.903 5.223 4.320 -0.000 0.000 0.311 427 A C -1.175 176.306 177.584 -0.171 0.000 1.068 427 A CA -0.714 51.276 52.037 -0.078 0.000 0.743 427 A CB 1.874 20.852 19.000 -0.036 0.000 1.258 427 A HN 0.661 nan 8.150 nan 0.000 0.429 428 V N 2.613 122.314 119.914 -0.356 0.000 2.540 428 V HA 0.445 4.565 4.120 -0.000 0.000 0.302 428 V C -0.822 175.081 176.094 -0.318 0.000 1.035 428 V CA -0.524 61.520 62.300 -0.426 0.000 0.873 428 V CB 1.517 32.780 31.823 -0.933 0.000 0.992 428 V HN 0.824 nan 8.190 nan 0.000 0.428 429 L N 4.889 126.005 121.223 -0.179 0.000 2.272 429 L HA 0.672 5.012 4.340 -0.000 0.000 0.289 429 L C 0.118 176.986 176.870 -0.004 0.000 1.032 429 L CA 0.684 55.470 54.840 -0.089 0.000 0.810 429 L CB 1.590 43.596 42.059 -0.089 0.000 1.205 429 L HN 0.723 nan 8.230 nan 0.000 0.422 430 T N 6.872 121.457 114.554 0.052 0.000 2.791 430 T HA 0.468 4.817 4.350 -0.000 0.000 0.288 430 T C -2.602 172.193 174.700 0.158 0.000 0.999 430 T CA -1.061 61.097 62.100 0.097 0.000 0.952 430 T CB 1.341 70.255 68.868 0.077 0.000 0.938 430 T HN 0.400 nan 8.240 nan 0.000 0.444 431 P HA 0.445 nan 4.420 nan 0.000 0.276 431 P C -0.786 176.453 177.300 -0.102 0.000 1.235 431 P CA -0.231 62.858 63.100 -0.019 0.000 0.772 431 P CB 0.844 32.569 31.700 0.041 0.000 0.871 446 Y N -0.629 119.662 120.300 -0.014 0.000 2.519 446 Y HA 0.578 5.128 4.550 -0.000 0.000 0.336 446 Y C -0.281 175.601 175.900 -0.029 0.000 1.089 446 Y CA -1.031 57.056 58.100 -0.021 0.000 1.025 446 Y CB 2.488 40.934 38.460 -0.024 0.000 1.318 446 Y HN 0.154 nan 8.280 nan 0.000 0.452 447 V N 4.295 124.285 119.914 0.127 0.000 2.459 447 V HA 0.487 4.607 4.120 -0.000 0.000 0.295 447 V C -0.893 175.204 176.094 0.005 0.000 1.029 447 V CA -0.746 61.581 62.300 0.046 0.000 0.874 447 V CB 1.877 33.716 31.823 0.027 0.000 0.985 447 V HN 0.592 nan 8.190 nan 0.000 0.438 448 L N 4.544 125.740 121.223 -0.045 0.000 2.322 448 L HA 0.883 5.223 4.340 -0.000 0.000 0.281 448 L C 0.182 176.947 176.870 -0.175 0.000 1.014 448 L CA -0.051 54.717 54.840 -0.120 0.000 0.815 448 L CB 1.463 43.451 42.059 -0.118 0.000 1.247 448 L HN 0.754 nan 8.230 nan 0.000 0.421 449 A N 6.284 128.929 122.820 -0.292 0.000 2.288 449 A HA 0.662 4.982 4.320 -0.000 0.000 0.320 449 A C -0.884 176.505 177.584 -0.324 0.000 1.217 449 A CA -0.576 51.270 52.037 -0.318 0.000 0.840 449 A CB 0.385 19.029 19.000 -0.593 0.000 1.179 449 A HN 0.714 nan 8.150 nan 0.000 0.504 450 L N 2.790 123.885 121.223 -0.213 0.000 2.292 450 L HA 0.550 4.890 4.340 -0.000 0.000 0.284 450 L C 0.570 177.473 176.870 0.056 0.000 1.065 450 L CA -0.517 54.150 54.840 -0.289 0.000 0.806 450 L CB 0.795 42.576 42.059 -0.464 0.000 1.175 450 L HN 0.628 nan 8.230 nan 0.000 0.431 451 R N 3.011 123.595 120.500 0.140 0.000 2.473 451 R HA 0.734 5.074 4.340 -0.000 0.000 0.303 451 R C -1.593 174.922 176.300 0.359 0.000 1.002 451 R CA -0.392 55.836 56.100 0.212 0.000 0.884 451 R CB 1.818 32.205 30.300 0.146 0.000 1.173 451 R HN 0.744 nan 8.270 nan 0.000 0.464 452 A N 3.479 126.538 122.820 0.399 0.000 2.414 452 A HA 0.745 5.065 4.320 -0.000 0.000 0.306 452 A C -0.810 176.897 177.584 0.205 0.000 1.054 452 A CA -0.593 51.632 52.037 0.313 0.000 0.724 452 A CB 1.667 20.910 19.000 0.406 0.000 1.267 452 A HN 0.463 nan 8.150 nan 0.000 0.418 453 V N -0.945 119.011 119.914 0.070 0.000 3.130 453 V HA 0.986 5.106 4.120 -0.000 0.000 0.310 453 V C -0.265 175.798 176.094 -0.051 0.000 1.158 453 V CA -0.116 62.205 62.300 0.034 0.000 1.029 453 V CB 1.481 33.322 31.823 0.031 0.000 1.057 453 V HN 1.489 nan 8.190 nan 0.000 0.436 454 T N -1.269 113.241 114.554 -0.073 0.000 2.906 454 T HA 0.837 5.187 4.350 -0.000 0.000 0.295 454 T C -0.410 174.208 174.700 -0.136 0.000 1.075 454 T CA -0.307 61.723 62.100 -0.118 0.000 1.005 454 T CB 1.845 70.633 68.868 -0.134 0.000 1.136 454 T HN 1.508 nan 8.240 nan 0.000 0.498 455 T N -0.149 114.296 114.554 -0.182 0.000 2.932 455 T HA 0.520 4.870 4.350 -0.000 0.000 0.318 455 T C -0.695 173.784 174.700 -0.369 0.000 1.265 455 T CA -0.506 61.451 62.100 -0.238 0.000 1.036 455 T CB 2.026 70.766 68.868 -0.213 0.000 1.209 455 T HN 0.682 nan 8.240 nan 0.000 0.484 456 E N 1.048 121.004 120.200 -0.406 0.000 2.508 456 E HA 0.169 4.519 4.350 -0.000 0.000 0.217 456 E C 0.496 176.742 176.600 -0.591 0.000 0.896 456 E CA 0.129 56.231 56.400 -0.497 0.000 1.118 456 E CB 0.627 30.077 29.700 -0.416 0.000 1.133 456 E HN 0.715 nan 8.360 nan 0.000 0.526 457 D N -0.882 119.241 120.400 -0.463 0.000 2.469 457 D HA 0.006 4.646 4.640 -0.000 0.000 0.213 457 D C -0.033 176.265 176.300 -0.003 0.000 1.135 457 D CA -0.600 53.267 54.000 -0.222 0.000 0.834 457 D CB -0.516 40.262 40.800 -0.037 0.000 1.009 457 D HN 0.075 nan 8.370 nan 0.000 0.507 458 F N -0.304 119.625 119.950 -0.036 0.000 3.069 458 F HA -0.319 4.208 4.527 -0.000 0.000 0.285 458 F C 1.271 177.073 175.800 0.004 0.000 0.827 458 F CA 1.056 59.047 58.000 -0.014 0.000 1.108 458 F CB -2.289 36.703 39.000 -0.014 0.000 1.252 458 F HN 0.105 nan 8.300 nan 0.000 0.483 459 M N -2.099 117.566 119.600 0.107 0.000 2.227 459 M HA 0.107 4.587 4.480 -0.000 0.000 0.226 459 M C 1.019 177.340 176.300 0.035 0.000 1.423 459 M CA 1.023 56.369 55.300 0.076 0.000 1.055 459 M CB 0.688 33.329 32.600 0.067 0.000 1.572 459 M HN 0.112 nan 8.290 nan 0.000 0.567 460 T N -0.184 114.377 114.554 0.012 0.000 2.944 460 T HA 0.846 5.196 4.350 -0.000 0.000 0.284 460 T C -0.532 174.153 174.700 -0.025 0.000 1.010 460 T CA -0.731 61.370 62.100 0.002 0.000 1.025 460 T CB 2.252 71.125 68.868 0.009 0.000 1.079 460 T HN 0.254 nan 8.240 nan 0.000 0.516 461 A N 1.329 124.141 122.820 -0.013 0.000 2.459 461 A HA 0.633 4.952 4.320 -0.000 0.000 0.296 461 A C -1.332 176.251 177.584 -0.001 0.000 1.039 461 A CA -0.919 51.104 52.037 -0.023 0.000 0.698 461 A CB 1.308 20.306 19.000 -0.004 0.000 1.261 461 A HN 0.817 nan 8.150 nan 0.000 0.405 462 D N 2.672 123.052 120.400 -0.032 0.000 2.181 462 D HA 0.351 4.991 4.640 -0.000 0.000 0.248 462 D C 0.153 176.463 176.300 0.017 0.000 1.020 462 D CA 0.000 53.983 54.000 -0.029 0.000 0.891 462 D CB 1.050 41.761 40.800 -0.149 0.000 1.187 462 D HN 0.690 nan 8.370 nan 0.000 0.443 463 W N 0.600 121.883 121.300 -0.028 0.000 2.264 463 W HA 0.416 5.076 4.660 -0.000 0.000 0.331 463 W C -0.375 176.166 176.519 0.037 0.000 1.364 463 W CA -1.154 56.170 57.345 -0.035 0.000 1.253 463 W CB -0.340 29.053 29.460 -0.113 0.000 1.215 463 W HN 0.209 nan 8.180 nan 0.000 0.561 464 A N 5.864 128.811 122.820 0.212 0.000 2.524 464 A HA 0.160 4.480 4.320 -0.000 0.000 0.250 464 A C 0.648 178.275 177.584 0.071 0.000 1.078 464 A CA -0.442 51.648 52.037 0.087 0.000 0.761 464 A CB 0.116 19.212 19.000 0.160 0.000 1.012 464 A HN 0.550 nan 8.150 nan 0.000 0.500 465 R N 3.298 123.677 120.500 -0.202 0.000 3.268 465 R HA 0.199 4.538 4.340 -0.000 0.000 0.217 465 R C -0.532 175.749 176.300 -0.031 0.000 1.568 465 R CA 0.166 56.144 56.100 -0.204 0.000 1.322 465 R CB -0.916 29.212 30.300 -0.287 0.000 1.280 465 R HN 0.668 nan 8.270 nan 0.000 0.667 466 L N 2.741 124.007 121.223 0.072 0.000 2.418 466 L HA 0.332 4.672 4.340 -0.000 0.000 0.265 466 L C -1.639 175.247 176.870 0.026 0.000 1.143 466 L CA -1.975 52.873 54.840 0.013 0.000 0.809 466 L CB 0.428 42.493 42.059 0.011 0.000 1.124 466 L HN 0.078 nan 8.230 nan 0.000 0.456 467 P HA 0.038 nan 4.420 nan 0.000 0.264 467 P C 0.669 177.988 177.300 0.032 0.000 1.193 467 P CA 0.001 63.118 63.100 0.028 0.000 0.763 467 P CB 0.538 32.255 31.700 0.028 0.000 0.810 468 L N 1.829 123.068 121.223 0.026 0.000 2.191 468 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 468 L C 2.208 179.051 176.870 -0.046 0.000 1.103 468 L CA 1.292 56.133 54.840 0.001 0.000 0.769 468 L CB -0.481 41.593 42.059 0.025 0.000 0.908 468 L HN 0.522 nan 8.230 nan 0.000 0.438 469 E N 0.486 120.665 120.200 -0.035 0.000 2.150 469 E HA -0.251 4.099 4.350 -0.000 0.000 0.193 469 E C 2.082 178.547 176.600 -0.225 0.000 0.985 469 E CA 1.206 57.564 56.400 -0.071 0.000 0.814 469 E CB -0.076 29.631 29.700 0.011 0.000 0.752 469 E HN 0.440 nan 8.360 nan 0.000 0.466 470 F N 1.260 120.955 119.950 -0.425 0.000 2.146 470 F HA -0.111 4.416 4.527 -0.000 0.000 0.298 470 F C 2.129 177.707 175.800 -0.370 0.000 1.096 470 F CA 1.132 58.743 58.000 -0.649 0.000 1.275 470 F CB -0.357 38.259 39.000 -0.640 0.000 1.008 470 F HN -0.047 nan 8.300 nan 0.000 0.480 471 L N 0.131 121.116 121.223 -0.396 0.000 2.131 471 L HA -0.207 4.133 4.340 -0.000 0.000 0.210 471 L C 2.120 178.774 176.870 -0.361 0.000 1.092 471 L CA 1.848 56.441 54.840 -0.412 0.000 0.759 471 L CB -0.885 41.017 42.059 -0.262 0.000 0.903 471 L HN 0.221 nan 8.230 nan 0.000 0.435 472 D N 0.070 120.308 120.400 -0.268 0.000 2.117 472 D HA -0.247 4.393 4.640 -0.000 0.000 0.198 472 D C 2.136 178.307 176.300 -0.216 0.000 0.982 472 D CA 1.137 55.025 54.000 -0.187 0.000 0.828 472 D CB 0.144 40.877 40.800 -0.111 0.000 0.967 472 D HN 0.250 nan 8.370 nan 0.000 0.464 473 E N -0.521 119.504 120.200 -0.291 0.000 2.110 473 E HA -0.191 4.158 4.350 -0.000 0.000 0.193 473 E C 1.965 178.394 176.600 -0.286 0.000 0.988 473 E CA 0.932 57.190 56.400 -0.238 0.000 0.804 473 E CB -0.157 29.407 29.700 -0.227 0.000 0.745 473 E HN 0.350 nan 8.360 nan 0.000 0.458 474 A N 1.204 123.725 122.820 -0.498 0.000 1.877 474 A HA -0.094 4.226 4.320 -0.000 0.000 0.216 474 A C 2.392 179.842 177.584 -0.224 0.000 1.186 474 A CA 1.777 53.583 52.037 -0.385 0.000 0.620 474 A CB -0.758 17.925 19.000 -0.528 0.000 0.822 474 A HN 0.405 nan 8.150 nan 0.000 0.443 475 A N -0.315 122.371 122.820 -0.223 0.000 1.902 475 A HA -0.149 4.171 4.320 -0.000 0.000 0.217 475 A C 2.265 179.790 177.584 -0.099 0.000 1.181 475 A CA 1.528 53.476 52.037 -0.147 0.000 0.623 475 A CB -0.448 18.474 19.000 -0.130 0.000 0.818 475 A HN 0.544 nan 8.150 nan 0.000 0.443 476 R N -1.138 119.306 120.500 -0.093 0.000 2.066 476 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 476 R C 2.547 178.822 176.300 -0.040 0.000 1.131 476 R CA 1.580 57.647 56.100 -0.055 0.000 0.955 476 R CB -0.292 29.981 30.300 -0.045 0.000 0.851 476 R HN 0.546 nan 8.270 nan 0.000 0.432 477 R N 0.881 121.355 120.500 -0.044 0.000 2.081 477 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 477 R C 2.161 178.451 176.300 -0.017 0.000 1.131 477 R CA 1.318 57.407 56.100 -0.018 0.000 0.960 477 R CB -0.172 30.125 30.300 -0.005 0.000 0.856 477 R HN 0.179 nan 8.270 nan 0.000 0.436 478 I N 0.181 120.730 120.570 -0.035 0.000 2.163 478 I HA -0.272 3.898 4.170 -0.000 0.000 0.240 478 I C 2.375 178.476 176.117 -0.026 0.000 1.081 478 I CA 1.894 63.175 61.300 -0.032 0.000 1.353 478 I CB -0.553 37.413 38.000 -0.058 0.000 1.054 478 I HN 0.399 nan 8.210 nan 0.000 0.407 479 T N -0.993 113.543 114.554 -0.030 0.000 2.881 479 T HA -0.227 4.123 4.350 -0.000 0.000 0.270 479 T C 1.934 176.629 174.700 -0.008 0.000 1.068 479 T CA 1.129 63.219 62.100 -0.017 0.000 1.131 479 T CB -0.396 68.461 68.868 -0.018 0.000 0.871 479 T HN 0.346 nan 8.240 nan 0.000 0.479 480 R N 0.861 121.355 120.500 -0.009 0.000 2.075 480 R HA 0.073 4.413 4.340 -0.000 0.000 0.226 480 R C 2.441 178.742 176.300 0.002 0.000 1.114 480 R CA 0.528 56.627 56.100 -0.002 0.000 0.972 480 R CB 0.038 30.337 30.300 -0.001 0.000 0.869 480 R HN 0.202 nan 8.270 nan 0.000 0.437 481 R N 0.041 120.542 120.500 0.001 0.000 2.246 481 R HA 0.123 4.462 4.340 -0.000 0.000 0.199 481 R C 0.153 176.454 176.300 0.001 0.000 0.984 481 R CA 0.403 56.505 56.100 0.004 0.000 1.015 481 R CB 0.581 30.887 30.300 0.009 0.000 0.930 481 R HN 0.081 nan 8.270 nan 0.000 0.475 482 V N 4.004 123.916 119.914 -0.003 0.000 2.313 482 V HA 0.138 4.258 4.120 -0.000 0.000 0.262 482 V C -1.574 174.521 176.094 0.001 0.000 1.011 482 V CA -1.178 61.117 62.300 -0.008 0.000 0.858 482 V CB 1.739 33.549 31.823 -0.022 0.000 1.104 482 V HN -0.024 nan 8.190 nan 0.000 0.456 483 P HA -0.209 nan 4.420 nan 0.000 0.217 483 P C 1.054 178.379 177.300 0.043 0.000 1.148 483 P CA 1.421 64.534 63.100 0.021 0.000 0.834 483 P CB 0.662 32.374 31.700 0.020 0.000 0.783 484 E N -0.604 119.627 120.200 0.052 0.000 2.204 484 E HA -0.050 4.300 4.350 -0.000 0.000 0.195 484 E C 0.927 177.633 176.600 0.176 0.000 0.990 484 E CA 0.509 56.985 56.400 0.127 0.000 0.821 484 E CB -0.412 29.348 29.700 0.100 0.000 0.750 484 E HN 0.264 nan 8.360 nan 0.000 0.477 485 I N 1.033 121.653 120.570 0.083 0.000 2.379 485 I HA 0.094 4.264 4.170 -0.000 0.000 0.290 485 I C 1.341 177.490 176.117 0.053 0.000 1.063 485 I CA 0.281 61.628 61.300 0.078 0.000 1.351 485 I CB 0.793 38.799 38.000 0.010 0.000 1.410 485 I HN 0.039 nan 8.210 nan 0.000 0.505 486 G N 6.645 115.480 108.800 0.058 0.000 3.126 486 G HA2 0.143 4.103 3.960 -0.000 0.000 0.224 486 G HA3 0.143 4.103 3.960 -0.000 0.000 0.224 486 G C 0.685 175.591 174.900 0.010 0.000 1.142 486 G CA -0.129 44.987 45.100 0.026 0.000 0.759 486 G HN 0.513 nan 8.290 nan 0.000 0.550 487 R N -0.667 119.838 120.500 0.008 0.000 2.579 487 R HA 0.461 4.801 4.340 -0.000 0.000 0.260 487 R C -2.044 174.243 176.300 -0.021 0.000 1.103 487 R CA -0.380 55.716 56.100 -0.007 0.000 0.942 487 R CB 2.235 32.534 30.300 -0.002 0.000 1.251 487 R HN -0.046 nan 8.270 nan 0.000 0.450 488 V N 4.466 124.357 119.914 -0.037 0.000 2.604 488 V HA 0.625 4.745 4.120 -0.000 0.000 0.305 488 V C -0.171 175.896 176.094 -0.044 0.000 1.043 488 V CA -0.651 61.611 62.300 -0.063 0.000 0.888 488 V CB 1.765 33.532 31.823 -0.094 0.000 0.995 488 V HN 0.578 nan 8.190 nan 0.000 0.429 489 V N 1.891 121.783 119.914 -0.037 0.000 3.141 489 V HA 0.735 4.855 4.120 -0.000 0.000 0.312 489 V C -1.640 174.496 176.094 0.070 0.000 1.157 489 V CA -0.931 61.377 62.300 0.013 0.000 1.041 489 V CB 2.255 34.094 31.823 0.026 0.000 1.071 489 V HN 0.711 nan 8.190 nan 0.000 0.441 490 Y N 1.071 121.334 120.300 -0.062 0.000 2.376 490 Y HA 0.586 5.136 4.550 -0.000 0.000 0.340 490 Y C -0.297 175.581 175.900 -0.037 0.000 0.965 490 Y CA -1.310 56.762 58.100 -0.047 0.000 1.078 490 Y CB 1.540 39.986 38.460 -0.023 0.000 1.193 490 Y HN 0.969 nan 8.280 nan 0.000 0.452 491 D N 5.350 125.507 120.400 -0.405 0.000 2.383 491 D HA 0.129 4.768 4.640 -0.000 0.000 0.252 491 D C 0.110 175.987 176.300 -0.705 0.000 1.166 491 D CA 0.429 54.240 54.000 -0.315 0.000 0.879 491 D CB 0.849 41.653 40.800 0.006 0.000 1.164 491 D HN 0.785 nan 8.370 nan 0.000 0.462 492 L N 3.004 123.814 121.223 -0.690 0.000 2.872 492 L HA 0.153 4.493 4.340 -0.000 0.000 0.245 492 L C 0.398 176.772 176.870 -0.827 0.000 1.211 492 L CA -0.057 54.029 54.840 -1.257 0.000 1.013 492 L CB 0.361 41.783 42.059 -1.061 0.000 1.326 492 L HN 0.200 nan 8.230 nan 0.000 0.525 493 T N -0.875 113.456 114.554 -0.372 0.000 2.767 493 T HA 0.406 4.756 4.350 -0.000 0.000 0.284 493 T C 0.362 175.083 174.700 0.033 0.000 0.973 493 T CA -0.261 61.750 62.100 -0.149 0.000 0.996 493 T CB 2.081 70.841 68.868 -0.180 0.000 0.927 493 T HN -0.030 nan 8.240 nan 0.000 0.456 494 S N 1.927 117.696 115.700 0.114 0.000 2.707 494 S HA 0.509 4.979 4.470 -0.000 0.000 0.276 494 S C -0.045 174.586 174.600 0.053 0.000 1.179 494 S CA -0.924 57.357 58.200 0.134 0.000 0.992 494 S CB 0.898 64.198 63.200 0.167 0.000 1.030 494 S HN 0.655 nan 8.310 nan 0.000 0.554 495 K N 2.402 122.829 120.400 0.045 0.000 2.483 495 K HA 0.374 4.694 4.320 -0.000 0.000 0.256 495 K C -2.710 173.905 176.600 0.025 0.000 0.961 495 K CA -2.158 54.142 56.287 0.023 0.000 0.873 495 K CB 1.079 33.592 32.500 0.021 0.000 1.107 495 K HN 0.296 nan 8.250 nan 0.000 0.432 496 P HA 0.138 nan 4.420 nan 0.000 0.275 496 P C -2.338 174.971 177.300 0.016 0.000 1.266 496 P CA -1.032 62.076 63.100 0.014 0.000 0.793 496 P CB 0.670 32.380 31.700 0.016 0.000 1.074 497 P HA 0.183 nan 4.420 nan 0.000 0.267 497 P C 0.142 177.417 177.300 -0.041 0.000 1.289 497 P CA 0.338 63.426 63.100 -0.019 0.000 0.866 497 P CB 0.399 32.084 31.700 -0.024 0.000 1.309 498 A N 0.350 123.140 122.820 -0.049 0.000 2.282 498 A HA 0.671 4.991 4.320 -0.000 0.000 0.324 498 A C 0.322 177.877 177.584 -0.049 0.000 1.119 498 A CA -0.222 51.767 52.037 -0.081 0.000 0.880 498 A CB 0.302 19.218 19.000 -0.140 0.000 1.294 498 A HN 0.142 nan 8.150 nan 0.000 0.493 499 T N -1.329 113.192 114.554 -0.056 0.000 2.902 499 T HA 0.518 4.867 4.350 -0.000 0.000 0.280 499 T C 1.184 175.897 174.700 0.022 0.000 0.992 499 T CA -0.452 61.641 62.100 -0.012 0.000 1.015 499 T CB 0.565 69.430 68.868 -0.006 0.000 1.044 499 T HN 0.358 nan 8.240 nan 0.000 0.520 500 I N -0.191 120.410 120.570 0.052 0.000 2.163 500 I HA -0.037 4.132 4.170 -0.000 0.000 0.240 500 I C 1.473 177.690 176.117 0.166 0.000 1.081 500 I CA 1.085 62.440 61.300 0.092 0.000 1.353 500 I CB -0.175 37.865 38.000 0.067 0.000 1.054 500 I HN 0.636 nan 8.210 nan 0.000 0.407 501 E N -0.185 120.100 120.200 0.141 0.000 2.371 501 E HA -0.078 4.272 4.350 -0.000 0.000 0.257 501 E C 0.130 176.909 176.600 0.299 0.000 1.134 501 E CA -0.180 56.335 56.400 0.192 0.000 0.919 501 E CB 0.618 30.372 29.700 0.091 0.000 1.025 501 E HN 0.220 nan 8.360 nan 0.000 0.438 502 W N 0.794 122.085 121.300 -0.015 0.000 3.003 502 W HA 0.027 4.687 4.660 -0.000 0.000 0.257 502 W C 0.848 177.356 176.519 -0.018 0.000 1.308 502 W CA 0.162 57.496 57.345 -0.018 0.000 1.529 502 W CB 0.424 29.875 29.460 -0.015 0.000 1.115 502 W HN 0.556 nan 8.180 nan 0.000 0.659 503 E N 0.000 120.306 120.200 0.176 0.000 2.725 503 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 503 E CA 0.000 56.453 56.400 0.089 0.000 0.976 503 E CB 0.000 29.756 29.700 0.093 0.000 0.812 503 E HN 0.000 nan 8.360 nan 0.000 0.440