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 3ol6_1_I DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVGNKITEV DEYMKEAVDH YAGQLMSLDI NTEQMCLEDA DATA SEQUENCE MYGTDGLEAL DLSTSAGYPY VAMGKKKRDI LNKQTRDTKE MQKLLDTYGI DATA SEQUENCE NLPLVTYVKD ELRSKTKVEQ GKSRLIEASS LNDSVAMRMA FGNLYAAFHK DATA SEQUENCE NPGVITGSAV GCDPDLFWSK IPVLMEEKLF AFDYTGYDAS LSPAWFEALK DATA SEQUENCE MVLEKIGFGD RVDYIDYLNH SHHLYKNKTY CVKGGMPSGC SGTSIFNSMI DATA SEQUENCE NNLIIRTLLL KTYKGIDLDH LKMIAYGDDV IASYPHEVDA SLLAQSGKDY DATA SEQUENCE GLTMTPADKS ATFETVTWEN VTFLKRFFRA DEKYPFLIHP VMPMKEIHES DATA SEQUENCE IRWTKDPRNT QDHVRSLCLL AWHNGEEEYN KFLAKIRSVP IGRALDLPEY DATA SEQUENCE STLYRRWLDS F 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 G HA2 0.000 nan 3.960 nan 0.000 0.244 1 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 1 G C 0.000 174.988 174.900 0.147 0.000 0.946 1 G CA 0.000 45.190 45.100 0.149 0.000 0.502 2 E N -0.500 119.717 120.200 0.029 0.000 2.356 2 E HA 0.539 4.890 4.350 0.001 0.000 0.275 2 E C -0.836 175.691 176.600 -0.121 0.000 0.904 2 E CA -0.918 55.484 56.400 0.004 0.000 0.757 2 E CB 2.136 31.857 29.700 0.034 0.000 1.232 2 E HN 0.437 nan 8.360 nan 0.000 0.442 3 I N 4.101 124.582 120.570 -0.148 0.000 2.471 3 I HA 0.004 4.175 4.170 0.001 0.000 0.286 3 I C 0.976 177.023 176.117 -0.116 0.000 1.079 3 I CA -0.202 60.971 61.300 -0.211 0.000 1.398 3 I CB 1.196 39.057 38.000 -0.232 0.000 1.403 3 I HN 0.558 nan 8.210 nan 0.000 0.530 4 Q N 6.581 126.287 119.800 -0.157 0.000 2.402 4 Q HA 0.086 4.427 4.340 0.001 0.000 0.206 4 Q C -0.169 175.975 176.000 0.239 0.000 0.919 4 Q CA 0.717 56.538 55.803 0.029 0.000 0.923 4 Q CB 0.722 29.516 28.738 0.093 0.000 1.048 4 Q HN 0.755 nan 8.270 nan 0.000 0.515 5 W N -1.570 119.735 121.300 0.008 0.000 2.760 5 W HA 0.567 5.228 4.660 0.001 0.000 0.430 5 W C -1.489 175.045 176.519 0.024 0.000 1.072 5 W CA -0.972 56.381 57.345 0.014 0.000 1.181 5 W CB 0.354 29.832 29.460 0.031 0.000 1.466 5 W HN -0.127 nan 8.180 nan 0.000 0.597 6 M N 2.526 122.359 119.600 0.389 0.000 2.596 6 M HA 0.300 4.781 4.480 0.001 0.000 0.152 6 M C -1.713 174.736 176.300 0.249 0.000 0.955 6 M CA 0.021 55.456 55.300 0.224 0.000 0.820 6 M CB 0.699 33.294 32.600 -0.009 0.000 3.088 6 M HN 0.409 nan 8.290 nan 0.000 0.358 7 R N 2.518 123.234 120.500 0.360 0.000 2.828 7 R HA 0.761 5.102 4.340 0.001 0.000 0.264 7 R C -2.844 173.562 176.300 0.177 0.000 1.022 7 R CA -1.918 54.313 56.100 0.218 0.000 1.021 7 R CB 0.596 31.004 30.300 0.180 0.000 1.163 7 R HN 0.245 nan 8.270 nan 0.000 0.494 8 P HA 0.006 nan 4.420 nan 0.000 0.269 8 P C 0.211 177.574 177.300 0.106 0.000 1.217 8 P CA 0.314 63.465 63.100 0.086 0.000 0.783 8 P CB 0.616 32.346 31.700 0.050 0.000 0.898 9 S N 0.820 116.581 115.700 0.102 0.000 2.336 9 S HA -0.096 4.375 4.470 0.001 0.000 0.216 9 S C 1.639 176.284 174.600 0.075 0.000 1.032 9 S CA 1.018 59.297 58.200 0.132 0.000 0.973 9 S CB -0.436 62.849 63.200 0.142 0.000 0.888 9 S HN 0.421 nan 8.310 nan 0.000 0.455 10 K N 1.566 121.997 120.400 0.052 0.000 2.127 10 K HA -0.147 4.174 4.320 0.001 0.000 0.208 10 K C 1.772 178.366 176.600 -0.009 0.000 1.047 10 K CA 1.154 57.454 56.287 0.022 0.000 0.927 10 K CB -0.648 31.865 32.500 0.022 0.000 0.716 10 K HN 0.542 nan 8.250 nan 0.000 0.450 11 E N 0.698 120.898 120.200 0.000 0.000 2.501 11 E HA -0.118 4.233 4.350 0.001 0.000 0.203 11 E C 0.234 176.801 176.600 -0.055 0.000 1.072 11 E CA 0.564 56.953 56.400 -0.019 0.000 0.885 11 E CB 0.286 29.987 29.700 0.002 0.000 0.813 11 E HN 0.007 nan 8.360 nan 0.000 0.556 12 V N -1.621 118.244 119.914 -0.082 0.000 3.440 12 V HA 0.274 4.395 4.120 0.001 0.000 0.301 12 V C 0.840 176.705 176.094 -0.380 0.000 1.555 12 V CA 0.181 62.368 62.300 -0.188 0.000 1.095 12 V CB 0.865 32.621 31.823 -0.111 0.000 0.936 12 V HN 0.319 nan 8.190 nan 0.000 0.452 13 G N -0.068 108.587 108.800 -0.242 0.000 2.234 13 G HA2 -0.285 3.676 3.960 0.001 0.000 0.235 13 G HA3 -0.285 3.676 3.960 0.001 0.000 0.235 13 G C -0.010 174.818 174.900 -0.120 0.000 0.997 13 G CA 0.118 45.084 45.100 -0.223 0.000 0.623 13 G HN 0.385 nan 8.290 nan 0.000 0.514 14 Y N 2.071 122.373 120.300 0.003 0.000 2.299 14 Y HA 0.553 5.104 4.550 0.001 0.000 0.335 14 Y C -1.421 174.500 175.900 0.035 0.000 1.287 14 Y CA -1.960 56.134 58.100 -0.009 0.000 1.424 14 Y CB 0.327 38.723 38.460 -0.106 0.000 1.326 14 Y HN 0.104 nan 8.280 nan 0.000 0.567 15 P HA 0.383 nan 4.420 nan 0.000 0.289 15 P C -1.120 176.252 177.300 0.120 0.000 1.300 15 P CA -0.599 62.598 63.100 0.162 0.000 0.828 15 P CB 1.209 33.009 31.700 0.167 0.000 1.235 16 I N 0.210 120.831 120.570 0.086 0.000 2.365 16 I HA 0.236 4.407 4.170 0.001 0.000 0.291 16 I C 0.201 176.355 176.117 0.062 0.000 1.004 16 I CA 0.020 61.355 61.300 0.058 0.000 1.311 16 I CB 0.090 38.113 38.000 0.039 0.000 1.401 16 I HN 0.113 nan 8.210 nan 0.000 0.491 17 I N 6.339 126.937 120.570 0.048 0.000 2.406 17 I HA 0.346 4.517 4.170 0.001 0.000 0.290 17 I C -0.369 175.786 176.117 0.062 0.000 0.999 17 I CA -0.261 61.080 61.300 0.068 0.000 1.124 17 I CB 1.143 39.178 38.000 0.060 0.000 1.289 17 I HN 0.407 nan 8.210 nan 0.000 0.441 18 N N 4.691 123.451 118.700 0.100 0.000 2.417 18 N HA 0.703 5.444 4.740 0.001 0.000 0.274 18 N C -0.708 174.913 175.510 0.184 0.000 0.987 18 N CA -0.412 52.701 53.050 0.105 0.000 0.912 18 N CB 1.930 40.461 38.487 0.073 0.000 1.177 18 N HN 0.671 nan 8.380 nan 0.000 0.490 19 A N 2.903 125.862 122.820 0.231 0.000 2.304 19 A HA 0.686 5.007 4.320 0.001 0.000 0.301 19 A C -2.012 175.686 177.584 0.190 0.000 1.132 19 A CA -1.118 51.109 52.037 0.317 0.000 0.819 19 A CB -0.193 19.115 19.000 0.514 0.000 1.094 19 A HN 0.488 nan 8.150 nan 0.000 0.492 20 P HA 0.057 nan 4.420 nan 0.000 0.267 20 P C 0.345 177.699 177.300 0.089 0.000 1.195 20 P CA 0.316 63.468 63.100 0.088 0.000 0.773 20 P CB 0.452 32.186 31.700 0.057 0.000 0.837 21 S N -0.244 115.494 115.700 0.062 0.000 2.601 21 S HA 0.275 4.746 4.470 0.001 0.000 0.244 21 S C 0.083 174.700 174.600 0.028 0.000 1.001 21 S CA -0.430 57.800 58.200 0.051 0.000 0.984 21 S CB -0.163 63.063 63.200 0.042 0.000 0.842 21 S HN 0.365 nan 8.310 nan 0.000 0.474 22 K N 1.257 121.674 120.400 0.029 0.000 2.553 22 K HA 0.325 4.646 4.320 0.001 0.000 0.250 22 K C -0.821 175.788 176.600 0.015 0.000 0.953 22 K CA -0.359 55.939 56.287 0.018 0.000 0.800 22 K CB 1.899 34.411 32.500 0.021 0.000 1.243 22 K HN 0.073 nan 8.250 nan 0.000 0.435 23 T N 1.671 116.229 114.554 0.006 0.000 2.946 23 T HA -0.025 4.326 4.350 0.001 0.000 0.312 23 T C 1.029 175.739 174.700 0.016 0.000 1.066 23 T CA 0.453 62.552 62.100 -0.001 0.000 1.138 23 T CB 0.353 69.211 68.868 -0.017 0.000 1.014 23 T HN 0.374 nan 8.240 nan 0.000 0.544 24 K N 3.424 123.830 120.400 0.011 0.000 2.426 24 K HA 0.188 4.509 4.320 0.001 0.000 0.193 24 K C 0.370 177.003 176.600 0.054 0.000 1.028 24 K CA 0.175 56.477 56.287 0.026 0.000 1.047 24 K CB 0.052 32.559 32.500 0.011 0.000 0.821 24 K HN 0.583 nan 8.250 nan 0.000 0.513 25 L N 2.986 124.243 121.223 0.055 0.000 2.325 25 L HA 0.085 4.426 4.340 0.001 0.000 0.284 25 L C 0.016 177.056 176.870 0.284 0.000 1.089 25 L CA -0.072 54.845 54.840 0.128 0.000 0.836 25 L CB 0.364 42.410 42.059 -0.022 0.000 1.184 25 L HN 0.070 nan 8.230 nan 0.000 0.444 26 E N 4.290 124.684 120.200 0.323 0.000 2.263 26 E HA 0.563 4.914 4.350 0.001 0.000 0.264 26 E C -2.659 174.057 176.600 0.194 0.000 0.923 26 E CA -2.629 53.934 56.400 0.271 0.000 0.802 26 E CB 0.816 30.584 29.700 0.113 0.000 1.228 26 E HN 0.211 nan 8.360 nan 0.000 0.417 27 P HA -0.052 nan 4.420 nan 0.000 0.267 27 P C -0.671 176.497 177.300 -0.221 0.000 1.200 27 P CA 0.191 62.956 63.100 -0.559 0.000 0.772 27 P CB 0.753 31.930 31.700 -0.871 0.000 0.855 28 S N 1.614 117.216 115.700 -0.162 0.000 2.690 28 S HA 0.511 4.982 4.470 0.001 0.000 0.291 28 S C 1.521 176.062 174.600 -0.099 0.000 1.138 28 S CA -0.049 58.141 58.200 -0.017 0.000 1.013 28 S CB 0.599 63.881 63.200 0.136 0.000 1.053 28 S HN 0.404 nan 8.310 nan 0.000 0.539 29 A N 2.102 124.795 122.820 -0.212 0.000 2.009 29 A HA -0.093 4.228 4.320 0.001 0.000 0.222 29 A C 1.071 178.368 177.584 -0.479 0.000 1.175 29 A CA 1.871 53.625 52.037 -0.472 0.000 0.651 29 A CB -0.853 17.631 19.000 -0.861 0.000 0.815 29 A HN 0.780 nan 8.150 nan 0.000 0.459 30 F N -1.881 118.083 119.950 0.023 0.000 2.645 30 F HA 0.212 4.740 4.527 0.001 0.000 0.300 30 F C 1.551 177.375 175.800 0.041 0.000 1.115 30 F CA 0.282 58.330 58.000 0.081 0.000 1.355 30 F CB -0.700 38.422 39.000 0.203 0.000 1.026 30 F HN 0.390 nan 8.300 nan 0.000 0.536 31 H N -0.954 118.038 119.070 -0.131 0.000 2.456 31 H HA -0.157 4.400 4.556 0.001 0.000 0.296 31 H C 1.214 176.235 175.328 -0.513 0.000 1.079 31 H CA 2.090 57.867 56.048 -0.452 0.000 1.322 31 H CB 0.032 29.309 29.762 -0.808 0.000 1.388 31 H HN 0.373 nan 8.280 nan 0.000 0.538 32 Y N -2.235 118.079 120.300 0.023 0.000 2.498 32 Y HA 0.081 4.632 4.550 0.001 0.000 0.259 32 Y C 2.258 178.107 175.900 -0.084 0.000 1.086 32 Y CA 0.202 58.283 58.100 -0.032 0.000 1.287 32 Y CB 0.496 38.949 38.460 -0.012 0.000 1.146 32 Y HN 0.010 nan 8.280 nan 0.000 0.523 33 V N 0.082 120.002 119.914 0.009 0.000 2.231 33 V HA -0.261 3.860 4.120 0.001 0.000 0.248 33 V C 0.549 176.394 176.094 -0.416 0.000 1.054 33 V CA 1.617 63.770 62.300 -0.245 0.000 1.015 33 V CB -0.579 31.038 31.823 -0.343 0.000 0.638 33 V HN 0.086 nan 8.190 nan 0.000 0.444 34 F N -0.230 119.679 119.950 -0.068 0.000 2.497 34 F HA 0.529 5.057 4.527 0.001 0.000 0.331 34 F C 0.580 176.295 175.800 -0.143 0.000 1.060 34 F CA -1.081 56.829 58.000 -0.150 0.000 0.989 34 F CB 0.730 39.619 39.000 -0.186 0.000 1.245 34 F HN 0.105 nan 8.300 nan 0.000 0.486 35 E N 0.164 120.417 120.200 0.088 0.000 2.259 35 E HA 0.860 5.211 4.350 0.001 0.000 0.257 35 E C -0.405 176.236 176.600 0.069 0.000 0.998 35 E CA -1.163 55.256 56.400 0.032 0.000 0.866 35 E CB 2.153 31.873 29.700 0.034 0.000 1.220 35 E HN 0.761 nan 8.360 nan 0.000 0.415 36 G N -0.921 107.911 108.800 0.053 0.000 2.570 36 G HA2 0.389 4.350 3.960 0.001 0.000 0.310 36 G HA3 0.389 4.350 3.960 0.001 0.000 0.310 36 G C -0.222 174.734 174.900 0.093 0.000 1.266 36 G CA -0.129 45.028 45.100 0.095 0.000 0.825 36 G HN 0.766 nan 8.290 nan 0.000 0.483 37 V N -3.390 116.588 119.914 0.107 0.000 3.400 37 V HA 0.486 4.606 4.120 0.001 0.000 0.281 37 V C 0.313 176.468 176.094 0.101 0.000 1.617 37 V CA 0.080 62.437 62.300 0.095 0.000 1.044 37 V CB -0.183 31.680 31.823 0.066 0.000 0.858 37 V HN 0.380 nan 8.190 nan 0.000 0.425 38 K N 2.263 122.731 120.400 0.113 0.000 2.098 38 K HA 0.696 5.017 4.320 0.001 0.000 0.261 38 K C -0.197 176.429 176.600 0.043 0.000 0.987 38 K CA -0.111 56.201 56.287 0.042 0.000 0.916 38 K CB 1.095 33.582 32.500 -0.021 0.000 1.039 38 K HN 0.765 nan 8.250 nan 0.000 0.455 39 E N 0.810 120.915 120.200 -0.158 0.000 2.437 39 E HA 0.343 4.694 4.350 0.001 0.000 0.280 39 E C -2.989 173.337 176.600 -0.457 0.000 1.044 39 E CA -2.528 53.630 56.400 -0.404 0.000 0.826 39 E CB 1.101 30.803 29.700 0.004 0.000 1.358 39 E HN 0.104 nan 8.360 nan 0.000 0.459 40 P HA -0.044 nan 4.420 nan 0.000 0.266 40 P C -0.724 176.463 177.300 -0.188 0.000 1.180 40 P CA 0.654 63.551 63.100 -0.339 0.000 0.765 40 P CB 0.377 31.937 31.700 -0.234 0.000 0.806 41 A N 3.055 125.791 122.820 -0.140 0.000 2.304 41 A HA 0.317 4.638 4.320 0.001 0.000 0.271 41 A C -0.200 177.342 177.584 -0.070 0.000 1.091 41 A CA -0.531 51.456 52.037 -0.083 0.000 0.812 41 A CB 0.135 19.101 19.000 -0.056 0.000 1.056 41 A HN 0.379 nan 8.150 nan 0.000 0.489 42 V N 2.039 121.914 119.914 -0.065 0.000 2.540 42 V HA -0.018 4.103 4.120 0.001 0.000 0.297 42 V C 0.883 176.898 176.094 -0.133 0.000 1.024 42 V CA 0.236 62.442 62.300 -0.156 0.000 1.105 42 V CB 0.291 31.971 31.823 -0.239 0.000 0.938 42 V HN 0.781 nan 8.190 nan 0.000 0.482 43 L N 4.253 125.378 121.223 -0.163 0.000 2.425 43 L HA 0.223 4.564 4.340 0.001 0.000 0.215 43 L C 1.184 178.026 176.870 -0.048 0.000 1.065 43 L CA 1.297 56.120 54.840 -0.029 0.000 0.842 43 L CB 0.013 42.073 42.059 0.002 0.000 1.033 43 L HN 0.987 nan 8.230 nan 0.000 0.474 44 T N -5.384 108.995 114.554 -0.292 0.000 2.804 44 T HA 0.332 4.682 4.350 0.001 0.000 0.290 44 T C 0.785 175.189 174.700 -0.492 0.000 1.099 44 T CA -0.726 61.246 62.100 -0.213 0.000 1.011 44 T CB 1.606 70.447 68.868 -0.044 0.000 1.291 44 T HN -0.168 nan 8.240 nan 0.000 0.523 45 K N 0.720 121.045 120.400 -0.125 0.000 2.076 45 K HA 0.048 4.369 4.320 0.001 0.000 0.204 45 K C 0.289 176.843 176.600 -0.077 0.000 1.051 45 K CA 0.763 57.028 56.287 -0.036 0.000 0.949 45 K CB -0.901 31.686 32.500 0.145 0.000 0.726 45 K HN 0.534 nan 8.250 nan 0.000 0.443 46 N N 3.043 121.711 118.700 -0.053 0.000 2.971 46 N HA 0.008 4.749 4.740 0.001 0.000 0.294 46 N C -0.879 174.588 175.510 -0.071 0.000 1.210 46 N CA 0.318 53.343 53.050 -0.041 0.000 1.157 46 N CB -0.051 38.427 38.487 -0.015 0.000 1.450 46 N HN 0.221 nan 8.380 nan 0.000 0.527 47 D N 0.530 120.871 120.400 -0.098 0.000 2.696 47 D HA 0.241 4.882 4.640 0.001 0.000 0.251 47 D C -2.015 174.247 176.300 -0.063 0.000 1.188 47 D CA -1.807 52.133 54.000 -0.100 0.000 0.876 47 D CB 2.638 43.334 40.800 -0.174 0.000 1.334 47 D HN -0.052 nan 8.370 nan 0.000 0.540 48 P HA -0.026 nan 4.420 nan 0.000 0.219 48 P C 0.987 178.280 177.300 -0.011 0.000 1.146 48 P CA 0.808 63.899 63.100 -0.015 0.000 0.808 48 P CB 0.288 31.985 31.700 -0.004 0.000 0.779 49 R N -1.121 119.366 120.500 -0.021 0.000 2.276 49 R HA 0.107 4.448 4.340 0.001 0.000 0.203 49 R C 0.507 176.801 176.300 -0.009 0.000 1.017 49 R CA 0.058 56.153 56.100 -0.010 0.000 1.010 49 R CB -0.492 29.800 30.300 -0.012 0.000 0.900 49 R HN 0.251 nan 8.270 nan 0.000 0.469 50 L N 2.541 123.751 121.223 -0.021 0.000 2.361 50 L HA 0.071 4.411 4.340 0.001 0.000 0.278 50 L C 0.369 177.247 176.870 0.014 0.000 1.113 50 L CA 0.204 55.041 54.840 -0.005 0.000 0.849 50 L CB 0.739 42.788 42.059 -0.016 0.000 1.155 50 L HN 0.054 nan 8.230 nan 0.000 0.452 51 K N 1.253 121.668 120.400 0.024 0.000 3.109 51 K HA 0.463 4.784 4.320 0.001 0.000 0.214 51 K C -0.206 176.416 176.600 0.037 0.000 1.196 51 K CA -0.431 55.873 56.287 0.028 0.000 1.115 51 K CB 0.789 33.304 32.500 0.025 0.000 1.103 51 K HN 0.456 nan 8.250 nan 0.000 0.467 52 T N -0.175 114.407 114.554 0.048 0.000 2.800 52 T HA 0.004 4.355 4.350 0.001 0.000 0.327 52 T C -1.974 172.777 174.700 0.086 0.000 1.838 52 T CA -0.884 61.252 62.100 0.059 0.000 1.024 52 T CB 1.291 70.194 68.868 0.058 0.000 1.755 52 T HN 0.418 nan 8.240 nan 0.000 0.507 53 D N 1.272 121.726 120.400 0.090 0.000 2.390 53 D HA 0.323 4.964 4.640 0.001 0.000 0.249 53 D C 0.835 177.245 176.300 0.183 0.000 1.144 53 D CA -0.175 53.898 54.000 0.121 0.000 0.880 53 D CB 0.363 41.219 40.800 0.092 0.000 1.182 53 D HN 0.303 nan 8.370 nan 0.000 0.451 54 F N 3.139 123.107 119.950 0.030 0.000 1.990 54 F HA -0.080 4.448 4.527 0.001 0.000 0.294 54 F C 1.850 177.667 175.800 0.029 0.000 1.177 54 F CA 1.549 59.562 58.000 0.022 0.000 1.167 54 F CB -0.579 38.441 39.000 0.033 0.000 0.971 54 F HN 0.571 nan 8.300 nan 0.000 0.483 55 E N -0.167 119.997 120.200 -0.060 0.000 2.219 55 E HA -0.305 4.045 4.350 0.001 0.000 0.198 55 E C 2.092 178.707 176.600 0.024 0.000 0.998 55 E CA 1.412 57.751 56.400 -0.100 0.000 0.818 55 E CB -0.384 29.408 29.700 0.153 0.000 0.741 55 E HN 0.626 nan 8.360 nan 0.000 0.477 56 E N 0.578 120.801 120.200 0.039 0.000 2.072 56 E HA -0.173 4.178 4.350 0.001 0.000 0.191 56 E C 1.970 178.569 176.600 -0.002 0.000 0.985 56 E CA 1.031 57.458 56.400 0.045 0.000 0.801 56 E CB -0.009 29.721 29.700 0.051 0.000 0.750 56 E HN 0.240 nan 8.360 nan 0.000 0.452 57 A N 1.257 124.050 122.820 -0.046 0.000 1.975 57 A HA -0.013 4.308 4.320 0.001 0.000 0.215 57 A C 2.191 179.664 177.584 -0.185 0.000 1.170 57 A CA 0.862 52.858 52.037 -0.067 0.000 0.656 57 A CB -0.589 18.410 19.000 -0.001 0.000 0.821 57 A HN 0.531 nan 8.150 nan 0.000 0.449 58 I N -5.165 115.175 120.570 -0.383 0.000 2.617 58 I HA 0.075 4.246 4.170 0.001 0.000 0.256 58 I C 1.286 176.988 176.117 -0.692 0.000 1.167 58 I CA 1.219 62.153 61.300 -0.609 0.000 1.469 58 I CB -0.213 37.199 38.000 -0.980 0.000 1.098 58 I HN 0.085 nan 8.210 nan 0.000 0.436 59 F N 1.893 121.669 119.950 -0.290 0.000 2.693 59 F HA 0.190 4.718 4.527 0.001 0.000 0.303 59 F C 2.566 178.264 175.800 -0.169 0.000 1.097 59 F CA 0.353 58.212 58.000 -0.236 0.000 1.330 59 F CB -0.200 38.724 39.000 -0.126 0.000 1.067 59 F HN 0.165 nan 8.300 nan 0.000 0.565 60 S N 0.591 116.266 115.700 -0.042 0.000 2.469 60 S HA -0.220 4.251 4.470 0.001 0.000 0.238 60 S C 1.912 176.492 174.600 -0.034 0.000 0.998 60 S CA 1.166 59.357 58.200 -0.015 0.000 0.957 60 S CB -0.485 62.696 63.200 -0.031 0.000 0.764 60 S HN 0.623 nan 8.310 nan 0.000 0.514 61 K N -0.364 119.955 120.400 -0.134 0.000 2.116 61 K HA 0.012 4.333 4.320 0.001 0.000 0.203 61 K C -0.010 176.555 176.600 -0.058 0.000 1.052 61 K CA 0.413 56.614 56.287 -0.144 0.000 0.952 61 K CB -0.648 31.694 32.500 -0.264 0.000 0.729 61 K HN 0.331 nan 8.250 nan 0.000 0.446 62 Y N 3.268 123.592 120.300 0.039 0.000 2.641 62 Y HA 0.032 4.583 4.550 0.002 0.000 0.338 62 Y C 0.573 176.490 175.900 0.029 0.000 1.203 62 Y CA -0.959 57.163 58.100 0.037 0.000 1.954 62 Y CB -0.829 37.654 38.460 0.039 0.000 1.960 62 Y HN -0.005 nan 8.280 nan 0.000 0.417 63 V N 0.522 120.532 119.914 0.161 0.000 2.863 63 V HA 0.807 4.928 4.120 0.001 0.000 0.307 63 V C 0.837 176.993 176.094 0.104 0.000 1.061 63 V CA -0.642 61.725 62.300 0.110 0.000 1.024 63 V CB 1.216 33.087 31.823 0.081 0.000 1.049 63 V HN 0.621 nan 8.190 nan 0.000 0.471 64 G N 3.109 111.957 108.800 0.079 0.000 2.414 64 G HA2 0.066 4.027 3.960 0.001 0.000 0.236 64 G HA3 0.066 4.027 3.960 0.001 0.000 0.236 64 G C 0.073 175.017 174.900 0.073 0.000 1.293 64 G CA -0.427 44.714 45.100 0.068 0.000 0.869 64 G HN 0.914 nan 8.290 nan 0.000 0.556 65 N N 1.341 120.081 118.700 0.067 0.000 2.411 65 N HA 0.040 4.781 4.740 0.001 0.000 0.261 65 N C 0.760 176.310 175.510 0.065 0.000 1.248 65 N CA 0.482 53.576 53.050 0.073 0.000 0.885 65 N CB 1.611 40.132 38.487 0.057 0.000 1.062 65 N HN 0.586 nan 8.380 nan 0.000 0.471 66 K N 1.287 121.734 120.400 0.078 0.000 4.501 66 K HA 0.355 4.676 4.320 0.001 0.000 0.199 66 K C 0.699 177.329 176.600 0.051 0.000 1.152 66 K CA -0.609 55.716 56.287 0.063 0.000 1.896 66 K CB -0.061 32.484 32.500 0.076 0.000 2.663 66 K HN 0.564 nan 8.250 nan 0.000 0.544 67 I N 1.659 122.262 120.570 0.055 0.000 2.710 67 I HA -0.044 4.127 4.170 0.001 0.000 0.286 67 I C 0.482 176.607 176.117 0.013 0.000 1.181 67 I CA 0.662 61.976 61.300 0.024 0.000 1.430 67 I CB 1.151 39.164 38.000 0.022 0.000 1.367 67 I HN 0.612 nan 8.210 nan 0.000 0.577 68 T N 1.275 115.825 114.554 -0.007 0.000 2.986 68 T HA 0.307 4.658 4.350 0.001 0.000 0.264 68 T C 0.403 175.083 174.700 -0.034 0.000 0.964 68 T CA -0.251 61.843 62.100 -0.009 0.000 0.895 68 T CB -0.109 68.761 68.868 0.002 0.000 1.163 68 T HN 0.753 nan 8.240 nan 0.000 0.517 69 E N 1.620 121.794 120.200 -0.044 0.000 2.134 69 E HA 0.462 4.812 4.350 0.001 0.000 0.278 69 E C -0.818 175.736 176.600 -0.076 0.000 0.959 69 E CA -0.605 55.765 56.400 -0.050 0.000 0.783 69 E CB 1.737 31.415 29.700 -0.036 0.000 1.095 69 E HN 0.136 nan 8.360 nan 0.000 0.399 70 V N 5.588 125.450 119.914 -0.087 0.000 2.356 70 V HA -0.072 4.048 4.120 0.001 0.000 0.244 70 V C 0.259 176.315 176.094 -0.063 0.000 1.120 70 V CA -0.049 62.186 62.300 -0.107 0.000 1.181 70 V CB -1.336 30.437 31.823 -0.083 0.000 1.244 70 V HN 0.699 nan 8.190 nan 0.000 0.487 71 D N 3.169 123.550 120.400 -0.033 0.000 2.312 71 D HA 0.011 4.652 4.640 0.001 0.000 0.244 71 D C 0.855 177.121 176.300 -0.057 0.000 1.328 71 D CA -0.247 53.737 54.000 -0.027 0.000 0.965 71 D CB 0.710 41.540 40.800 0.050 0.000 1.140 71 D HN 0.461 nan 8.370 nan 0.000 0.523 72 E N -1.746 118.356 120.200 -0.164 0.000 2.435 72 E HA -0.004 4.347 4.350 0.001 0.000 0.195 72 E C 1.380 177.893 176.600 -0.146 0.000 1.029 72 E CA 0.632 56.923 56.400 -0.182 0.000 0.865 72 E CB -0.496 29.046 29.700 -0.263 0.000 0.833 72 E HN 0.551 nan 8.360 nan 0.000 0.510 73 Y N 0.624 120.958 120.300 0.057 0.000 2.184 73 Y HA -0.064 4.487 4.550 0.002 0.000 0.290 73 Y C 2.250 178.183 175.900 0.054 0.000 1.129 73 Y CA 0.811 58.954 58.100 0.072 0.000 1.144 73 Y CB -0.329 38.204 38.460 0.121 0.000 0.995 73 Y HN -0.065 nan 8.280 nan 0.000 0.513 74 M N 0.337 120.033 119.600 0.160 0.000 2.089 74 M HA -0.312 4.169 4.480 0.001 0.000 0.257 74 M C 2.044 178.387 176.300 0.071 0.000 1.071 74 M CA 1.946 57.268 55.300 0.037 0.000 1.096 74 M CB -0.515 31.982 32.600 -0.172 0.000 1.330 74 M HN 0.120 nan 8.290 nan 0.000 0.403 75 K N 0.042 120.467 120.400 0.043 0.000 2.074 75 K HA -0.199 4.122 4.320 0.001 0.000 0.209 75 K C 2.022 178.673 176.600 0.086 0.000 1.048 75 K CA 1.570 57.886 56.287 0.048 0.000 0.926 75 K CB -0.177 32.330 32.500 0.012 0.000 0.713 75 K HN 0.362 nan 8.250 nan 0.000 0.444 76 E N 0.011 120.271 120.200 0.101 0.000 2.107 76 E HA -0.151 4.200 4.350 0.001 0.000 0.191 76 E C 1.921 178.628 176.600 0.178 0.000 0.982 76 E CA 0.727 57.203 56.400 0.127 0.000 0.809 76 E CB 0.016 29.788 29.700 0.120 0.000 0.756 76 E HN 0.322 nan 8.360 nan 0.000 0.459 77 A N 0.910 123.843 122.820 0.188 0.000 1.852 77 A HA -0.246 4.075 4.320 0.001 0.000 0.217 77 A C 2.423 180.163 177.584 0.260 0.000 1.215 77 A CA 2.117 54.290 52.037 0.226 0.000 0.641 77 A CB -1.226 17.904 19.000 0.218 0.000 0.838 77 A HN 0.204 nan 8.150 nan 0.000 0.450 78 V N 0.774 120.818 119.914 0.217 0.000 2.277 78 V HA -0.367 3.754 4.120 0.001 0.000 0.253 78 V C 2.261 178.469 176.094 0.191 0.000 1.067 78 V CA 2.622 65.046 62.300 0.208 0.000 1.047 78 V CB -0.983 30.925 31.823 0.143 0.000 0.649 78 V HN 0.577 nan 8.190 nan 0.000 0.447 79 D N -1.719 118.781 120.400 0.166 0.000 2.144 79 D HA -0.161 4.480 4.640 0.001 0.000 0.199 79 D C 2.067 178.465 176.300 0.165 0.000 0.984 79 D CA 1.557 55.641 54.000 0.140 0.000 0.834 79 D CB -0.322 40.551 40.800 0.122 0.000 0.955 79 D HN 0.646 nan 8.370 nan 0.000 0.465 80 H N -0.867 118.281 119.070 0.131 0.000 2.415 80 H HA -0.122 4.435 4.556 0.001 0.000 0.297 80 H C 1.935 177.374 175.328 0.186 0.000 1.048 80 H CA 0.711 56.839 56.048 0.132 0.000 1.365 80 H CB 0.007 29.847 29.762 0.130 0.000 1.421 80 H HN 0.067 nan 8.280 nan 0.000 0.533 81 Y N 1.524 121.822 120.300 -0.003 0.000 2.200 81 Y HA -0.078 4.473 4.550 0.002 0.000 0.290 81 Y C 2.684 178.562 175.900 -0.036 0.000 1.137 81 Y CA 1.560 59.634 58.100 -0.043 0.000 1.163 81 Y CB -0.864 37.644 38.460 0.081 0.000 0.988 81 Y HN 0.279 nan 8.280 nan 0.000 0.518 82 A N -0.252 122.548 122.820 -0.033 0.000 1.933 82 A HA -0.088 4.233 4.320 0.001 0.000 0.218 82 A C 2.494 180.012 177.584 -0.110 0.000 1.175 82 A CA 1.679 53.656 52.037 -0.100 0.000 0.628 82 A CB -1.548 17.460 19.000 0.013 0.000 0.814 82 A HN 0.546 nan 8.150 nan 0.000 0.444 83 G N -1.389 107.363 108.800 -0.080 0.000 2.448 83 G HA2 -0.141 3.820 3.960 0.001 0.000 0.218 83 G HA3 -0.141 3.820 3.960 0.001 0.000 0.218 83 G C 1.576 176.402 174.900 -0.123 0.000 1.135 83 G CA 0.889 45.945 45.100 -0.073 0.000 0.784 83 G HN 0.598 nan 8.290 nan 0.000 0.543 84 Q N -0.398 119.282 119.800 -0.201 0.000 2.020 84 Q HA 0.092 4.433 4.340 0.001 0.000 0.198 84 Q C 2.598 178.488 176.000 -0.183 0.000 0.974 84 Q CA 0.695 56.383 55.803 -0.192 0.000 0.829 84 Q CB -0.194 28.427 28.738 -0.195 0.000 0.894 84 Q HN 0.447 nan 8.270 nan 0.000 0.433 85 L N -0.036 121.024 121.223 -0.272 0.000 2.187 85 L HA -0.210 4.131 4.340 0.001 0.000 0.213 85 L C 2.421 179.218 176.870 -0.123 0.000 1.100 85 L CA 0.577 55.273 54.840 -0.239 0.000 0.765 85 L CB -0.318 41.567 42.059 -0.291 0.000 0.904 85 L HN 0.366 nan 8.230 nan 0.000 0.437 86 M N 0.161 119.705 119.600 -0.094 0.000 2.279 86 M HA -0.161 4.320 4.480 0.001 0.000 0.264 86 M C 2.503 178.782 176.300 -0.036 0.000 1.062 86 M CA 1.831 57.106 55.300 -0.042 0.000 1.099 86 M CB -0.365 32.216 32.600 -0.032 0.000 1.394 86 M HN 0.331 nan 8.290 nan 0.000 0.426 87 S N -0.961 114.707 115.700 -0.053 0.000 2.447 87 S HA -0.061 4.410 4.470 0.001 0.000 0.233 87 S C 1.730 176.307 174.600 -0.040 0.000 1.006 87 S CA 0.772 58.948 58.200 -0.041 0.000 0.957 87 S CB -0.875 62.299 63.200 -0.044 0.000 0.773 87 S HN 0.582 nan 8.310 nan 0.000 0.507 88 L N 0.971 122.161 121.223 -0.055 0.000 2.478 88 L HA 0.091 4.432 4.340 0.001 0.000 0.223 88 L C -0.203 176.654 176.870 -0.021 0.000 1.140 88 L CA 0.197 55.006 54.840 -0.052 0.000 0.842 88 L CB -0.784 41.218 42.059 -0.095 0.000 0.953 88 L HN 0.137 nan 8.230 nan 0.000 0.452 89 D N 1.011 121.407 120.400 -0.008 0.000 2.746 89 D HA -0.171 4.470 4.640 0.001 0.000 0.241 89 D C -0.058 176.260 176.300 0.030 0.000 1.140 89 D CA 0.759 54.764 54.000 0.010 0.000 0.707 89 D CB -1.175 39.627 40.800 0.003 0.000 1.034 89 D HN 0.237 nan 8.370 nan 0.000 0.423 90 I N 0.541 121.147 120.570 0.061 0.000 2.533 90 I HA -0.037 4.134 4.170 0.001 0.000 0.284 90 I C 1.285 177.471 176.117 0.116 0.000 1.109 90 I CA -0.306 61.063 61.300 0.115 0.000 1.412 90 I CB 0.453 38.573 38.000 0.200 0.000 1.396 90 I HN 0.009 nan 8.210 nan 0.000 0.543 91 N N 4.716 123.470 118.700 0.091 0.000 2.452 91 N HA -0.029 4.712 4.740 0.001 0.000 0.266 91 N C 0.838 176.339 175.510 -0.014 0.000 1.209 91 N CA 0.148 53.215 53.050 0.029 0.000 0.929 91 N CB 0.861 39.360 38.487 0.021 0.000 1.063 91 N HN 0.705 nan 8.380 nan 0.000 0.472 92 T N -0.298 114.142 114.554 -0.190 0.000 3.069 92 T HA 0.181 4.532 4.350 0.001 0.000 0.252 92 T C 0.425 174.808 174.700 -0.528 0.000 1.053 92 T CA -0.137 61.603 62.100 -0.601 0.000 0.964 92 T CB -0.078 68.472 68.868 -0.530 0.000 1.005 92 T HN 0.442 nan 8.240 nan 0.000 0.532 93 E N 1.876 121.920 120.200 -0.260 0.000 2.390 93 E HA 0.127 4.478 4.350 0.001 0.000 0.261 93 E C -0.044 176.450 176.600 -0.177 0.000 1.076 93 E CA -0.336 55.948 56.400 -0.193 0.000 0.905 93 E CB 0.599 30.232 29.700 -0.112 0.000 0.984 93 E HN 0.431 nan 8.360 nan 0.000 0.427 94 Q N 1.620 121.323 119.800 -0.162 0.000 2.304 94 Q HA -0.052 4.289 4.340 0.001 0.000 0.301 94 Q C -0.158 175.789 176.000 -0.087 0.000 1.063 94 Q CA 0.679 56.399 55.803 -0.137 0.000 0.947 94 Q CB 0.558 29.227 28.738 -0.115 0.000 1.201 94 Q HN 0.412 nan 8.270 nan 0.000 0.389 95 M N 3.527 123.082 119.600 -0.076 0.000 2.216 95 M HA 0.160 4.641 4.480 0.001 0.000 0.356 95 M C -0.180 176.104 176.300 -0.027 0.000 1.205 95 M CA -0.683 54.594 55.300 -0.039 0.000 1.122 95 M CB 0.436 33.018 32.600 -0.029 0.000 1.571 95 M HN 0.845 nan 8.290 nan 0.000 0.464 96 C N 3.904 123.200 119.300 -0.006 0.000 2.703 96 C HA 0.080 4.541 4.460 0.001 0.000 0.411 96 C C 1.713 176.714 174.990 0.017 0.000 1.290 96 C CA -0.953 58.069 59.018 0.006 0.000 2.054 96 C CB -0.333 27.418 27.740 0.018 0.000 2.732 96 C HN 1.095 nan 8.230 nan 0.000 0.650 97 L N 1.152 122.389 121.223 0.023 0.000 2.081 97 L HA -0.130 4.211 4.340 0.001 0.000 0.212 97 L C 2.562 179.458 176.870 0.043 0.000 1.080 97 L CA 2.337 57.192 54.840 0.026 0.000 0.754 97 L CB -1.178 40.901 42.059 0.033 0.000 0.893 97 L HN 0.974 nan 8.230 nan 0.000 0.433 98 E N -0.792 119.459 120.200 0.086 0.000 2.031 98 E HA -0.251 4.100 4.350 0.001 0.000 0.193 98 E C 1.669 178.371 176.600 0.170 0.000 0.994 98 E CA 1.598 58.105 56.400 0.178 0.000 0.800 98 E CB -0.056 29.738 29.700 0.156 0.000 0.752 98 E HN 0.542 nan 8.360 nan 0.000 0.447 99 D N -0.097 120.366 120.400 0.105 0.000 2.219 99 D HA -0.088 4.553 4.640 0.001 0.000 0.205 99 D C 1.666 178.002 176.300 0.059 0.000 0.970 99 D CA 1.046 55.101 54.000 0.092 0.000 0.851 99 D CB -0.182 40.657 40.800 0.066 0.000 0.943 99 D HN 0.277 nan 8.370 nan 0.000 0.488 100 A N 0.221 123.059 122.820 0.029 0.000 1.930 100 A HA -0.117 4.204 4.320 0.001 0.000 0.217 100 A C 2.175 179.739 177.584 -0.034 0.000 1.175 100 A CA 1.101 53.145 52.037 0.011 0.000 0.627 100 A CB -0.328 18.673 19.000 0.001 0.000 0.815 100 A HN 0.158 nan 8.150 nan 0.000 0.443 101 M N -2.864 116.662 119.600 -0.124 0.000 2.299 101 M HA 0.053 4.534 4.480 0.001 0.000 0.264 101 M C 1.631 177.672 176.300 -0.430 0.000 1.095 101 M CA 1.310 56.390 55.300 -0.367 0.000 1.165 101 M CB -0.120 32.065 32.600 -0.691 0.000 1.349 101 M HN 0.500 nan 8.290 nan 0.000 0.446 102 Y N 0.090 120.407 120.300 0.027 0.000 2.458 102 Y HA 0.409 4.960 4.550 0.001 0.000 0.254 102 Y C 1.115 177.032 175.900 0.029 0.000 1.120 102 Y CA 0.121 58.234 58.100 0.022 0.000 1.282 102 Y CB 0.680 39.149 38.460 0.015 0.000 1.109 102 Y HN 0.333 nan 8.280 nan 0.000 0.526 103 G N 0.227 109.110 108.800 0.138 0.000 2.629 103 G HA2 0.131 4.092 3.960 0.001 0.000 0.686 103 G HA3 0.131 4.092 3.960 0.001 0.000 0.686 103 G C -0.730 174.234 174.900 0.106 0.000 1.232 103 G CA -0.326 44.842 45.100 0.112 0.000 0.803 103 G HN 0.205 nan 8.290 nan 0.000 0.638 104 T N -1.154 113.455 114.554 0.092 0.000 2.645 104 T HA 0.530 4.881 4.350 0.001 0.000 0.300 104 T C -1.119 173.626 174.700 0.075 0.000 1.210 104 T CA 0.571 62.716 62.100 0.076 0.000 1.034 104 T CB 1.638 70.547 68.868 0.067 0.000 1.537 104 T HN 1.124 nan 8.240 nan 0.000 0.492 105 D N -0.016 120.421 120.400 0.063 0.000 2.402 105 D HA 0.415 5.056 4.640 0.001 0.000 0.268 105 D C 1.229 177.579 176.300 0.083 0.000 1.294 105 D CA 2.200 56.238 54.000 0.063 0.000 0.945 105 D CB -0.547 40.282 40.800 0.049 0.000 1.112 105 D HN 1.066 nan 8.370 nan 0.000 0.517 106 G N 2.770 111.633 108.800 0.104 0.000 2.201 106 G HA2 -0.177 3.784 3.960 0.001 0.000 0.212 106 G HA3 -0.177 3.784 3.960 0.001 0.000 0.212 106 G C -0.260 174.795 174.900 0.258 0.000 0.994 106 G CA -0.003 45.191 45.100 0.157 0.000 0.644 106 G HN 0.596 nan 8.290 nan 0.000 0.508 107 L N 1.802 123.140 121.223 0.192 0.000 2.441 107 L HA 0.684 5.025 4.340 0.001 0.000 0.270 107 L C -0.079 176.868 176.870 0.129 0.000 0.973 107 L CA -1.106 53.864 54.840 0.217 0.000 0.842 107 L CB 1.369 43.554 42.059 0.210 0.000 1.239 107 L HN 0.100 nan 8.230 nan 0.000 0.406 108 E N 2.410 122.664 120.200 0.089 0.000 2.408 108 E HA 0.367 4.718 4.350 0.001 0.000 0.259 108 E C -0.024 176.611 176.600 0.059 0.000 1.110 108 E CA 0.123 56.554 56.400 0.052 0.000 0.929 108 E CB 0.903 30.610 29.700 0.011 0.000 0.971 108 E HN 0.747 nan 8.360 nan 0.000 0.438 109 A N 1.845 124.697 122.820 0.054 0.000 2.310 109 A HA 0.239 4.560 4.320 0.001 0.000 0.260 109 A C 0.371 177.961 177.584 0.010 0.000 1.112 109 A CA -0.417 51.646 52.037 0.042 0.000 0.804 109 A CB 0.081 19.129 19.000 0.079 0.000 1.081 109 A HN 0.548 nan 8.150 nan 0.000 0.499 110 L N 0.525 121.730 121.223 -0.030 0.000 2.483 110 L HA 0.033 4.374 4.340 0.001 0.000 0.276 110 L C 0.441 177.298 176.870 -0.023 0.000 1.213 110 L CA -0.078 54.742 54.840 -0.033 0.000 0.843 110 L CB 0.176 42.191 42.059 -0.074 0.000 1.107 110 L HN 0.700 nan 8.230 nan 0.000 0.487 111 D N 2.511 122.899 120.400 -0.019 0.000 2.325 111 D HA 0.114 4.754 4.640 0.001 0.000 0.251 111 D C 0.657 176.945 176.300 -0.020 0.000 1.196 111 D CA 0.116 54.106 54.000 -0.017 0.000 0.866 111 D CB 0.996 41.784 40.800 -0.020 0.000 1.101 111 D HN 0.342 nan 8.370 nan 0.000 0.476 112 L N 2.732 123.947 121.223 -0.012 0.000 2.558 112 L HA -0.021 4.320 4.340 0.001 0.000 0.225 112 L C 1.905 178.766 176.870 -0.015 0.000 1.128 112 L CA 0.317 55.150 54.840 -0.013 0.000 0.868 112 L CB -0.122 41.939 42.059 0.004 0.000 1.006 112 L HN 0.364 nan 8.230 nan 0.000 0.454 113 S N -2.105 113.585 115.700 -0.017 0.000 2.556 113 S HA 0.067 4.538 4.470 0.001 0.000 0.216 113 S C 0.805 175.388 174.600 -0.028 0.000 0.970 113 S CA -0.213 57.975 58.200 -0.020 0.000 0.912 113 S CB -0.405 62.783 63.200 -0.019 0.000 0.790 113 S HN 0.353 nan 8.310 nan 0.000 0.504 114 T N -0.754 113.783 114.554 -0.028 0.000 2.942 114 T HA 0.634 4.985 4.350 0.001 0.000 0.289 114 T C -0.083 174.601 174.700 -0.026 0.000 1.044 114 T CA -0.667 61.413 62.100 -0.034 0.000 1.023 114 T CB 1.442 70.292 68.868 -0.030 0.000 1.123 114 T HN 0.079 nan 8.240 nan 0.000 0.512 115 S N -0.279 115.405 115.700 -0.025 0.000 2.566 115 S HA 0.362 4.833 4.470 0.001 0.000 0.280 115 S C 1.381 175.996 174.600 0.026 0.000 1.343 115 S CA -0.165 58.037 58.200 0.002 0.000 1.036 115 S CB -0.148 63.055 63.200 0.006 0.000 0.866 115 S HN 1.057 nan 8.310 nan 0.000 0.526 116 A N 3.659 126.505 122.820 0.043 0.000 2.278 116 A HA 0.510 4.831 4.320 0.001 0.000 0.212 116 A C 1.394 179.084 177.584 0.177 0.000 1.213 116 A CA 0.587 52.654 52.037 0.050 0.000 0.840 116 A CB -1.566 17.400 19.000 -0.056 0.000 0.866 116 A HN 1.890 nan 8.150 nan 0.000 0.489 117 G N -0.847 108.053 108.800 0.167 0.000 2.622 117 G HA2 -0.292 3.668 3.960 0.001 0.000 0.272 117 G HA3 -0.292 3.668 3.960 0.001 0.000 0.272 117 G C -0.026 174.982 174.900 0.179 0.000 1.308 117 G CA 0.193 45.410 45.100 0.195 0.000 0.919 117 G HN 0.998 nan 8.290 nan 0.000 0.565 118 Y N 2.865 123.164 120.300 -0.002 0.000 2.511 118 Y HA 0.414 4.965 4.550 0.001 0.000 0.332 118 Y C -0.547 175.168 175.900 -0.309 0.000 1.177 118 Y CA -0.541 57.472 58.100 -0.146 0.000 1.422 118 Y CB 1.399 39.741 38.460 -0.196 0.000 1.271 118 Y HN 0.305 nan 8.280 nan 0.000 0.550 119 P HA -0.001 nan 4.420 nan 0.000 0.267 119 P C 0.190 176.920 177.300 -0.950 0.000 1.289 119 P CA 0.597 62.570 63.100 -1.878 0.000 0.866 119 P CB 0.067 30.554 31.700 -2.021 0.000 1.309 120 Y N -0.512 119.546 120.300 -0.403 0.000 2.421 120 Y HA -0.086 4.465 4.550 0.001 0.000 0.292 120 Y C 2.510 178.336 175.900 -0.123 0.000 1.136 120 Y CA 0.592 58.554 58.100 -0.230 0.000 1.255 120 Y CB -1.416 36.951 38.460 -0.155 0.000 0.991 120 Y HN -0.151 nan 8.280 nan 0.000 0.552 121 V N -0.440 119.495 119.914 0.034 0.000 3.141 121 V HA -0.086 4.035 4.120 0.001 0.000 0.265 121 V C 1.905 178.030 176.094 0.052 0.000 1.126 121 V CA 1.456 63.805 62.300 0.080 0.000 1.141 121 V CB -0.395 31.517 31.823 0.148 0.000 0.743 121 V HN 0.427 nan 8.190 nan 0.000 0.492 122 A N -0.232 122.578 122.820 -0.018 0.000 2.167 122 A HA 0.219 4.540 4.320 0.001 0.000 0.208 122 A C 1.865 179.437 177.584 -0.020 0.000 1.198 122 A CA 0.638 52.676 52.037 0.001 0.000 0.863 122 A CB -0.044 18.968 19.000 0.021 0.000 0.904 122 A HN 0.586 nan 8.150 nan 0.000 0.484 123 M N -1.956 117.608 119.600 -0.061 0.000 2.494 123 M HA 0.393 4.874 4.480 0.001 0.000 0.232 123 M C 1.118 177.425 176.300 0.012 0.000 1.137 123 M CA 0.588 55.870 55.300 -0.030 0.000 1.012 123 M CB -0.038 32.526 32.600 -0.061 0.000 1.567 123 M HN 0.508 nan 8.290 nan 0.000 0.486 124 G N 2.093 110.907 108.800 0.024 0.000 2.153 124 G HA2 -0.286 3.674 3.960 0.001 0.000 0.252 124 G HA3 -0.286 3.674 3.960 0.001 0.000 0.252 124 G C -0.078 174.847 174.900 0.042 0.000 0.994 124 G CA 0.474 45.595 45.100 0.035 0.000 0.698 124 G HN 0.576 nan 8.290 nan 0.000 0.521 125 K N 0.189 120.625 120.400 0.061 0.000 2.143 125 K HA 0.604 4.925 4.320 0.001 0.000 0.272 125 K C 0.507 177.133 176.600 0.044 0.000 1.001 125 K CA -0.467 55.860 56.287 0.067 0.000 0.915 125 K CB 0.590 33.168 32.500 0.131 0.000 1.047 125 K HN 0.218 nan 8.250 nan 0.000 0.458 126 K N 2.025 122.424 120.400 -0.000 0.000 2.350 126 K HA 0.270 4.591 4.320 0.001 0.000 0.241 126 K C 0.517 177.073 176.600 -0.073 0.000 0.994 126 K CA -0.932 55.342 56.287 -0.022 0.000 0.839 126 K CB 1.560 34.054 32.500 -0.010 0.000 1.244 126 K HN 0.366 nan 8.250 nan 0.000 0.443 127 K N 1.113 121.465 120.400 -0.079 0.000 2.032 127 K HA -0.171 4.150 4.320 0.001 0.000 0.209 127 K C 1.826 178.387 176.600 -0.065 0.000 1.048 127 K CA 1.617 57.842 56.287 -0.103 0.000 0.927 127 K CB -0.037 32.418 32.500 -0.076 0.000 0.712 127 K HN 0.400 nan 8.250 nan 0.000 0.441 128 R N 0.845 121.326 120.500 -0.032 0.000 2.127 128 R HA -0.136 4.205 4.340 0.001 0.000 0.238 128 R C 1.690 177.987 176.300 -0.005 0.000 1.134 128 R CA 1.344 57.440 56.100 -0.007 0.000 0.975 128 R CB -0.217 30.083 30.300 -0.001 0.000 0.865 128 R HN 0.275 nan 8.270 nan 0.000 0.447 129 D N 0.248 120.637 120.400 -0.018 0.000 2.219 129 D HA -0.105 4.535 4.640 0.001 0.000 0.205 129 D C 1.724 178.014 176.300 -0.016 0.000 0.970 129 D CA 1.172 55.165 54.000 -0.011 0.000 0.851 129 D CB 0.104 40.898 40.800 -0.011 0.000 0.943 129 D HN 0.299 nan 8.370 nan 0.000 0.488 130 I N -0.563 119.980 120.570 -0.046 0.000 3.172 130 I HA -0.006 4.165 4.170 0.001 0.000 0.278 130 I C 0.424 176.540 176.117 -0.002 0.000 1.174 130 I CA 0.104 61.371 61.300 -0.054 0.000 1.445 130 I CB 0.403 38.308 38.000 -0.158 0.000 1.175 130 I HN -0.183 nan 8.210 nan 0.000 0.447 131 L N 0.657 121.888 121.223 0.013 0.000 2.352 131 L HA 0.409 4.750 4.340 0.001 0.000 0.269 131 L C -0.062 176.913 176.870 0.175 0.000 1.034 131 L CA -0.057 54.855 54.840 0.119 0.000 0.806 131 L CB 0.772 42.857 42.059 0.044 0.000 1.244 131 L HN 0.029 nan 8.230 nan 0.000 0.447 132 N N 0.689 119.570 118.700 0.302 0.000 2.621 132 N HA 0.150 4.891 4.740 0.001 0.000 0.271 132 N C 0.056 175.552 175.510 -0.023 0.000 1.181 132 N CA -0.230 52.887 53.050 0.112 0.000 0.805 132 N CB 1.065 39.569 38.487 0.030 0.000 1.351 132 N HN 0.568 nan 8.380 nan 0.000 0.539 133 K N 0.933 121.365 120.400 0.052 0.000 2.281 133 K HA -0.192 4.129 4.320 0.001 0.000 0.203 133 K C 1.354 177.843 176.600 -0.184 0.000 1.046 133 K CA 1.150 57.405 56.287 -0.052 0.000 0.938 133 K CB 0.336 32.876 32.500 0.067 0.000 0.737 133 K HN 0.418 nan 8.250 nan 0.000 0.458 134 Q N 0.837 120.564 119.800 -0.122 0.000 2.033 134 Q HA -0.098 4.243 4.340 0.001 0.000 0.196 134 Q C 1.936 177.846 176.000 -0.149 0.000 0.970 134 Q CA 2.353 58.092 55.803 -0.107 0.000 0.828 134 Q CB -0.376 28.328 28.738 -0.057 0.000 0.895 134 Q HN 0.374 nan 8.270 nan 0.000 0.440 135 T N -2.487 111.969 114.554 -0.165 0.000 3.043 135 T HA 0.105 4.456 4.350 0.001 0.000 0.263 135 T C 0.296 174.825 174.700 -0.285 0.000 1.094 135 T CA 0.379 62.380 62.100 -0.164 0.000 1.127 135 T CB -0.167 68.643 68.868 -0.097 0.000 0.905 135 T HN 0.432 nan 8.240 nan 0.000 0.490 136 R N 1.512 121.655 120.500 -0.594 0.000 3.336 136 R HA -0.138 4.203 4.340 0.001 0.000 0.260 136 R C -0.964 175.080 176.300 -0.427 0.000 1.032 136 R CA 0.643 56.040 56.100 -1.172 0.000 0.693 136 R CB -2.263 27.637 30.300 -0.666 0.000 1.134 136 R HN 0.627 nan 8.270 nan 0.000 0.433 137 D N -0.324 119.990 120.400 -0.145 0.000 2.256 137 D HA 0.172 4.813 4.640 0.001 0.000 0.250 137 D C 1.295 177.735 176.300 0.232 0.000 1.093 137 D CA 0.408 54.448 54.000 0.066 0.000 0.882 137 D CB 1.127 41.952 40.800 0.041 0.000 1.185 137 D HN 0.210 nan 8.370 nan 0.000 0.437 138 T N -0.210 114.439 114.554 0.159 0.000 2.985 138 T HA 0.111 4.462 4.350 0.001 0.000 0.254 138 T C 1.471 176.219 174.700 0.081 0.000 1.021 138 T CA -0.192 61.991 62.100 0.139 0.000 0.957 138 T CB -0.051 68.889 68.868 0.120 0.000 1.047 138 T HN 0.292 nan 8.240 nan 0.000 0.511 139 K N 1.223 121.662 120.400 0.065 0.000 2.089 139 K HA -0.205 4.116 4.320 0.001 0.000 0.210 139 K C 2.244 178.873 176.600 0.048 0.000 1.048 139 K CA 2.053 58.369 56.287 0.048 0.000 0.926 139 K CB -0.142 32.380 32.500 0.038 0.000 0.714 139 K HN 0.381 nan 8.250 nan 0.000 0.448 140 E N 0.837 121.068 120.200 0.051 0.000 2.107 140 E HA -0.165 4.186 4.350 0.001 0.000 0.191 140 E C 1.901 178.529 176.600 0.047 0.000 0.982 140 E CA 1.000 57.428 56.400 0.048 0.000 0.809 140 E CB -0.035 29.689 29.700 0.041 0.000 0.756 140 E HN 0.111 nan 8.360 nan 0.000 0.459 141 M N 0.306 119.928 119.600 0.037 0.000 2.067 141 M HA -0.140 4.340 4.480 0.001 0.000 0.260 141 M C 2.160 178.492 176.300 0.054 0.000 1.069 141 M CA 1.831 57.146 55.300 0.025 0.000 1.117 141 M CB -0.585 32.013 32.600 -0.003 0.000 1.334 141 M HN 0.109 nan 8.290 nan 0.000 0.407 142 Q N 0.650 120.480 119.800 0.050 0.000 2.096 142 Q HA -0.272 4.069 4.340 0.001 0.000 0.208 142 Q C 2.081 178.114 176.000 0.055 0.000 0.993 142 Q CA 2.606 58.440 55.803 0.051 0.000 0.862 142 Q CB -0.574 28.190 28.738 0.043 0.000 0.915 142 Q HN 0.634 nan 8.270 nan 0.000 0.416 143 K N -0.664 119.769 120.400 0.054 0.000 2.097 143 K HA -0.126 4.195 4.320 0.001 0.000 0.206 143 K C 1.984 178.629 176.600 0.076 0.000 1.049 143 K CA 1.326 57.643 56.287 0.050 0.000 0.933 143 K CB -0.152 32.376 32.500 0.048 0.000 0.717 143 K HN 0.322 nan 8.250 nan 0.000 0.442 144 L N 0.745 122.049 121.223 0.134 0.000 2.179 144 L HA -0.105 4.236 4.340 0.001 0.000 0.208 144 L C 2.272 179.289 176.870 0.245 0.000 1.096 144 L CA 0.443 55.441 54.840 0.263 0.000 0.779 144 L CB -0.205 42.049 42.059 0.325 0.000 0.922 144 L HN 0.186 nan 8.230 nan 0.000 0.443 145 L N -0.338 120.977 121.223 0.153 0.000 1.994 145 L HA -0.234 4.106 4.340 0.001 0.000 0.208 145 L C 2.256 179.177 176.870 0.085 0.000 1.071 145 L CA 1.277 56.194 54.840 0.128 0.000 0.745 145 L CB -0.589 41.526 42.059 0.093 0.000 0.892 145 L HN 0.271 nan 8.230 nan 0.000 0.431 146 D N -0.782 119.646 120.400 0.048 0.000 2.149 146 D HA -0.160 4.481 4.640 0.001 0.000 0.198 146 D C 2.117 178.386 176.300 -0.051 0.000 0.990 146 D CA 1.661 55.665 54.000 0.005 0.000 0.839 146 D CB -0.256 40.545 40.800 0.001 0.000 0.948 146 D HN 0.309 nan 8.370 nan 0.000 0.460 147 T N -0.533 113.963 114.554 -0.097 0.000 2.809 147 T HA -0.092 4.259 4.350 0.001 0.000 0.260 147 T C 1.491 175.907 174.700 -0.474 0.000 1.039 147 T CA 0.868 62.765 62.100 -0.338 0.000 1.141 147 T CB -0.185 68.373 68.868 -0.518 0.000 0.869 147 T HN 0.200 nan 8.240 nan 0.000 0.437 148 Y N 0.647 120.959 120.300 0.020 0.000 2.462 148 Y HA 0.428 4.979 4.550 0.002 0.000 0.253 148 Y C 1.773 177.683 175.900 0.016 0.000 1.095 148 Y CA -0.143 57.957 58.100 0.001 0.000 1.283 148 Y CB -0.185 38.242 38.460 -0.055 0.000 1.138 148 Y HN 0.393 nan 8.280 nan 0.000 0.522 149 G N 1.834 110.710 108.800 0.126 0.000 2.601 149 G HA2 -0.291 3.670 3.960 0.001 0.000 0.252 149 G HA3 -0.291 3.670 3.960 0.001 0.000 0.252 149 G C -0.082 174.870 174.900 0.087 0.000 1.294 149 G CA 0.067 45.214 45.100 0.079 0.000 0.912 149 G HN 0.467 nan 8.290 nan 0.000 0.574 150 I N -3.830 116.751 120.570 0.019 0.000 3.516 150 I HA 0.743 4.913 4.170 0.001 0.000 0.297 150 I C 0.779 176.831 176.117 -0.109 0.000 1.139 150 I CA -0.425 60.868 61.300 -0.012 0.000 1.020 150 I CB 1.627 39.615 38.000 -0.019 0.000 1.341 150 I HN 0.719 nan 8.210 nan 0.000 0.490 151 N N 0.968 119.566 118.700 -0.170 0.000 2.740 151 N HA -0.124 4.617 4.740 0.001 0.000 0.248 151 N C -0.837 174.590 175.510 -0.138 0.000 1.062 151 N CA 0.590 53.502 53.050 -0.230 0.000 0.704 151 N CB -1.036 37.200 38.487 -0.418 0.000 0.968 151 N HN 0.443 nan 8.380 nan 0.000 0.547 152 L N 0.656 121.837 121.223 -0.070 0.000 2.439 152 L HA 0.488 4.829 4.340 0.001 0.000 0.259 152 L C -1.490 175.280 176.870 -0.167 0.000 1.129 152 L CA -1.514 53.293 54.840 -0.055 0.000 0.803 152 L CB 0.417 42.527 42.059 0.086 0.000 1.161 152 L HN -0.063 nan 8.230 nan 0.000 0.462 153 P HA 0.190 nan 4.420 nan 0.000 0.275 153 P C -1.057 176.047 177.300 -0.327 0.000 1.228 153 P CA -0.443 62.390 63.100 -0.445 0.000 0.786 153 P CB 0.861 32.094 31.700 -0.779 0.000 0.927 154 L N 2.548 123.563 121.223 -0.346 0.000 2.312 154 L HA 0.210 4.551 4.340 0.001 0.000 0.281 154 L C 0.315 177.106 176.870 -0.133 0.000 1.070 154 L CA -0.410 54.316 54.840 -0.190 0.000 0.805 154 L CB 0.970 42.912 42.059 -0.195 0.000 1.174 154 L HN 0.136 nan 8.230 nan 0.000 0.434 155 V N 2.170 122.065 119.914 -0.032 0.000 2.488 155 V HA 0.226 4.347 4.120 0.001 0.000 0.277 155 V C 0.438 176.467 176.094 -0.109 0.000 1.046 155 V CA -0.511 61.739 62.300 -0.082 0.000 0.986 155 V CB 0.866 32.657 31.823 -0.052 0.000 0.989 155 V HN 0.802 nan 8.190 nan 0.000 0.475 156 T N 5.782 120.269 114.554 -0.112 0.000 2.817 156 T HA 0.566 4.917 4.350 0.001 0.000 0.293 156 T C -0.742 173.790 174.700 -0.280 0.000 0.964 156 T CA 0.123 62.187 62.100 -0.060 0.000 1.085 156 T CB 0.278 69.185 68.868 0.066 0.000 0.921 156 T HN 0.484 nan 8.240 nan 0.000 0.502 157 Y N 0.424 120.765 120.300 0.069 0.000 2.605 157 Y HA 0.564 5.115 4.550 0.001 0.000 0.343 157 Y C -0.122 175.774 175.900 -0.007 0.000 1.036 157 Y CA -1.238 56.907 58.100 0.076 0.000 1.065 157 Y CB 1.445 39.951 38.460 0.075 0.000 1.288 157 Y HN 0.317 nan 8.280 nan 0.000 0.481 158 V N 1.613 121.643 119.914 0.193 0.000 2.617 158 V HA 0.316 4.437 4.120 0.001 0.000 0.298 158 V C -0.278 175.867 176.094 0.086 0.000 1.048 158 V CA -1.345 61.006 62.300 0.086 0.000 0.964 158 V CB 1.558 33.458 31.823 0.129 0.000 1.004 158 V HN 0.584 nan 8.190 nan 0.000 0.466 159 K N 2.514 122.932 120.400 0.030 0.000 2.285 159 K HA 0.142 4.463 4.320 0.001 0.000 0.286 159 K C -0.297 176.295 176.600 -0.013 0.000 1.072 159 K CA -0.504 55.786 56.287 0.005 0.000 0.913 159 K CB 0.381 32.868 32.500 -0.020 0.000 1.067 159 K HN 0.679 nan 8.250 nan 0.000 0.479 160 D N 5.030 125.419 120.400 -0.019 0.000 2.356 160 D HA -0.016 4.625 4.640 0.001 0.000 0.272 160 D C -0.745 175.512 176.300 -0.072 0.000 1.337 160 D CA 0.644 54.619 54.000 -0.041 0.000 0.970 160 D CB 0.218 40.997 40.800 -0.036 0.000 1.092 160 D HN 0.660 nan 8.370 nan 0.000 0.516 161 E N 1.530 121.670 120.200 -0.099 0.000 2.409 161 E HA 0.325 4.676 4.350 0.001 0.000 0.280 161 E C -0.942 175.548 176.600 -0.183 0.000 1.079 161 E CA -0.945 55.378 56.400 -0.129 0.000 0.840 161 E CB 0.428 30.068 29.700 -0.100 0.000 1.309 161 E HN 0.109 nan 8.360 nan 0.000 0.447 162 L N 1.484 122.576 121.223 -0.219 0.000 2.367 162 L HA 0.456 4.797 4.340 0.001 0.000 0.275 162 L C 0.127 176.893 176.870 -0.173 0.000 1.129 162 L CA -0.447 54.224 54.840 -0.282 0.000 0.839 162 L CB 0.228 42.094 42.059 -0.322 0.000 1.133 162 L HN 0.383 nan 8.230 nan 0.000 0.453 163 R N 1.314 121.721 120.500 -0.155 0.000 2.795 163 R HA 0.422 4.762 4.340 0.001 0.000 0.275 163 R C -0.209 176.054 176.300 -0.062 0.000 0.981 163 R CA -0.687 55.359 56.100 -0.089 0.000 0.917 163 R CB 1.945 32.203 30.300 -0.070 0.000 1.202 163 R HN 0.758 nan 8.270 nan 0.000 0.469 164 S N 0.680 116.361 115.700 -0.032 0.000 2.650 164 S HA 0.073 4.544 4.470 0.001 0.000 0.251 164 S C 1.140 175.741 174.600 0.002 0.000 1.325 164 S CA -0.011 58.185 58.200 -0.006 0.000 0.967 164 S CB 0.782 63.983 63.200 0.002 0.000 1.000 164 S HN 0.552 nan 8.310 nan 0.000 0.584 165 K N 0.224 120.635 120.400 0.018 0.000 1.995 165 K HA -0.012 4.309 4.320 0.001 0.000 0.207 165 K C 2.513 179.124 176.600 0.017 0.000 1.041 165 K CA 1.524 57.824 56.287 0.023 0.000 0.942 165 K CB -0.893 31.627 32.500 0.034 0.000 0.731 165 K HN 0.883 nan 8.250 nan 0.000 0.439 166 T N 0.231 114.795 114.554 0.018 0.000 2.946 166 T HA -0.071 4.280 4.350 0.001 0.000 0.271 166 T C 1.440 176.149 174.700 0.014 0.000 1.104 166 T CA 0.953 63.064 62.100 0.018 0.000 1.114 166 T CB -0.035 68.844 68.868 0.019 0.000 0.867 166 T HN -0.000 nan 8.240 nan 0.000 0.513 167 K N 0.514 120.919 120.400 0.008 0.000 2.361 167 K HA 0.261 4.582 4.320 0.001 0.000 0.196 167 K C 2.078 178.682 176.600 0.007 0.000 1.039 167 K CA 0.299 56.588 56.287 0.003 0.000 1.001 167 K CB 0.034 32.529 32.500 -0.009 0.000 0.795 167 K HN 0.369 nan 8.250 nan 0.000 0.495 168 V N 0.836 120.752 119.914 0.004 0.000 2.492 168 V HA -0.067 4.054 4.120 0.001 0.000 0.241 168 V C 1.949 178.049 176.094 0.010 0.000 1.041 168 V CA 1.021 63.321 62.300 0.000 0.000 1.057 168 V CB -0.208 31.608 31.823 -0.012 0.000 0.711 168 V HN 0.229 nan 8.190 nan 0.000 0.468 169 E N 0.387 120.596 120.200 0.015 0.000 2.070 169 E HA -0.282 4.069 4.350 0.001 0.000 0.197 169 E C 1.986 178.604 176.600 0.030 0.000 1.004 169 E CA 1.512 57.924 56.400 0.020 0.000 0.805 169 E CB -0.118 29.596 29.700 0.022 0.000 0.744 169 E HN 0.629 nan 8.360 nan 0.000 0.451 170 Q N -0.670 119.150 119.800 0.033 0.000 2.322 170 Q HA 0.096 4.437 4.340 0.001 0.000 0.203 170 Q C 0.679 176.719 176.000 0.066 0.000 0.923 170 Q CA 0.287 56.115 55.803 0.042 0.000 0.949 170 Q CB 0.760 29.515 28.738 0.029 0.000 1.039 170 Q HN 0.385 nan 8.270 nan 0.000 0.496 171 G N 2.086 110.936 108.800 0.084 0.000 2.258 171 G HA2 -0.327 3.634 3.960 0.001 0.000 0.274 171 G HA3 -0.327 3.634 3.960 0.001 0.000 0.274 171 G C 0.044 175.035 174.900 0.152 0.000 1.021 171 G CA 0.269 45.473 45.100 0.174 0.000 0.798 171 G HN 0.296 nan 8.290 nan 0.000 0.507 172 K N 1.148 121.584 120.400 0.060 0.000 2.715 172 K HA 0.248 4.569 4.320 0.001 0.000 0.248 172 K C 0.486 177.085 176.600 -0.001 0.000 1.276 172 K CA -0.020 56.271 56.287 0.006 0.000 1.209 172 K CB 0.082 32.577 32.500 -0.009 0.000 1.509 172 K HN 0.312 nan 8.250 nan 0.000 0.261 173 S N 1.242 116.963 115.700 0.035 0.000 2.545 173 S HA 0.219 4.690 4.470 0.001 0.000 0.275 173 S C 0.310 174.867 174.600 -0.072 0.000 1.299 173 S CA -0.600 57.608 58.200 0.014 0.000 1.048 173 S CB 1.023 64.294 63.200 0.120 0.000 0.938 173 S HN 0.383 nan 8.310 nan 0.000 0.496 174 R N 1.695 122.152 120.500 -0.071 0.000 2.543 174 R HA 0.348 4.689 4.340 0.001 0.000 0.277 174 R C -0.346 175.888 176.300 -0.110 0.000 1.074 174 R CA 0.044 56.086 56.100 -0.098 0.000 1.076 174 R CB 0.224 30.482 30.300 -0.071 0.000 0.993 174 R HN 0.546 nan 8.270 nan 0.000 0.459 175 L N 3.751 124.881 121.223 -0.154 0.000 2.375 175 L HA 0.524 4.865 4.340 0.001 0.000 0.268 175 L C -0.186 176.656 176.870 -0.047 0.000 1.058 175 L CA -0.691 54.059 54.840 -0.150 0.000 0.803 175 L CB 1.159 43.059 42.059 -0.265 0.000 1.212 175 L HN 0.527 nan 8.230 nan 0.000 0.451 176 I N 1.052 121.630 120.570 0.013 0.000 2.569 176 I HA 0.206 4.377 4.170 0.001 0.000 0.290 176 I C -0.941 175.260 176.117 0.140 0.000 1.088 176 I CA -0.562 60.786 61.300 0.081 0.000 1.047 176 I CB 2.298 40.355 38.000 0.095 0.000 1.237 176 I HN 0.486 nan 8.210 nan 0.000 0.421 177 E N 6.112 126.403 120.200 0.152 0.000 2.063 177 E HA 0.381 4.732 4.350 0.001 0.000 0.265 177 E C -0.404 176.290 176.600 0.156 0.000 0.919 177 E CA -0.622 55.886 56.400 0.181 0.000 0.756 177 E CB 1.730 31.570 29.700 0.233 0.000 1.120 177 E HN 0.569 nan 8.360 nan 0.000 0.414 178 A N 3.168 126.108 122.820 0.201 0.000 2.489 178 A HA 0.092 4.413 4.320 0.001 0.000 0.289 178 A C 0.804 178.463 177.584 0.125 0.000 1.216 178 A CA -0.056 52.097 52.037 0.193 0.000 0.883 178 A CB -0.222 18.974 19.000 0.327 0.000 1.110 178 A HN 0.470 nan 8.150 nan 0.000 0.523 179 S N 3.145 118.902 115.700 0.096 0.000 2.558 179 S HA 0.191 4.662 4.470 0.001 0.000 0.288 179 S C 0.765 175.426 174.600 0.100 0.000 1.318 179 S CA 0.281 58.529 58.200 0.080 0.000 1.056 179 S CB 0.344 63.596 63.200 0.086 0.000 0.853 179 S HN 1.152 nan 8.310 nan 0.000 0.505 180 S N 3.092 118.853 115.700 0.102 0.000 2.579 180 S HA 0.109 4.580 4.470 0.001 0.000 0.275 180 S C 1.205 175.894 174.600 0.148 0.000 1.345 180 S CA -0.616 57.672 58.200 0.147 0.000 1.031 180 S CB 0.390 63.676 63.200 0.143 0.000 0.892 180 S HN 0.820 nan 8.310 nan 0.000 0.529 181 L N 4.662 125.989 121.223 0.174 0.000 2.079 181 L HA -0.067 4.274 4.340 0.001 0.000 0.210 181 L C 1.810 178.743 176.870 0.105 0.000 1.081 181 L CA 2.008 56.895 54.840 0.077 0.000 0.752 181 L CB -1.270 40.737 42.059 -0.086 0.000 0.896 181 L HN 0.721 nan 8.230 nan 0.000 0.433 182 N N -0.064 118.750 118.700 0.190 0.000 2.120 182 N HA -0.170 4.571 4.740 0.001 0.000 0.188 182 N C 1.575 177.174 175.510 0.148 0.000 1.024 182 N CA 1.592 54.746 53.050 0.173 0.000 0.852 182 N CB -0.342 38.271 38.487 0.209 0.000 1.003 182 N HN 0.466 nan 8.380 nan 0.000 0.424 183 D N -0.421 120.065 120.400 0.144 0.000 2.183 183 D HA 0.023 4.664 4.640 0.001 0.000 0.203 183 D C 1.530 177.944 176.300 0.190 0.000 0.969 183 D CA 0.666 54.763 54.000 0.161 0.000 0.842 183 D CB 0.079 40.955 40.800 0.126 0.000 0.957 183 D HN 0.169 nan 8.370 nan 0.000 0.484 184 S N 0.245 116.034 115.700 0.149 0.000 2.383 184 S HA -0.079 4.392 4.470 0.001 0.000 0.227 184 S C 2.317 176.998 174.600 0.134 0.000 1.026 184 S CA 0.315 58.602 58.200 0.145 0.000 0.981 184 S CB -0.070 63.188 63.200 0.096 0.000 0.818 184 S HN 0.072 nan 8.310 nan 0.000 0.472 185 V N 2.005 121.979 119.914 0.099 0.000 2.358 185 V HA -0.180 3.941 4.120 0.001 0.000 0.246 185 V C 2.661 178.813 176.094 0.097 0.000 1.047 185 V CA 1.709 64.051 62.300 0.070 0.000 1.035 185 V CB -1.112 30.734 31.823 0.037 0.000 0.658 185 V HN 0.538 nan 8.190 nan 0.000 0.452 186 A N -0.786 122.126 122.820 0.154 0.000 1.902 186 A HA -0.214 4.107 4.320 0.001 0.000 0.217 186 A C 2.232 179.919 177.584 0.173 0.000 1.181 186 A CA 1.909 54.069 52.037 0.206 0.000 0.623 186 A CB -0.477 18.735 19.000 0.353 0.000 0.818 186 A HN 0.388 nan 8.150 nan 0.000 0.443 187 M N -0.592 119.169 119.600 0.268 0.000 2.080 187 M HA -0.132 4.349 4.480 0.001 0.000 0.260 187 M C 2.198 178.590 176.300 0.154 0.000 1.068 187 M CA 1.648 57.134 55.300 0.310 0.000 1.109 187 M CB -1.126 31.737 32.600 0.439 0.000 1.342 187 M HN 0.404 nan 8.290 nan 0.000 0.405 188 R N -0.833 119.748 120.500 0.135 0.000 2.148 188 R HA -0.011 4.329 4.340 0.001 0.000 0.227 188 R C 2.243 178.503 176.300 -0.066 0.000 1.103 188 R CA 1.087 57.217 56.100 0.049 0.000 0.983 188 R CB -0.167 30.211 30.300 0.130 0.000 0.874 188 R HN 0.371 nan 8.270 nan 0.000 0.451 189 M N -0.386 119.174 119.600 -0.067 0.000 2.099 189 M HA -0.089 4.392 4.480 0.001 0.000 0.262 189 M C 2.472 178.633 176.300 -0.231 0.000 1.067 189 M CA 1.680 56.914 55.300 -0.110 0.000 1.124 189 M CB -0.252 32.308 32.600 -0.067 0.000 1.353 189 M HN 0.251 nan 8.290 nan 0.000 0.410 190 A N -0.142 122.428 122.820 -0.417 0.000 1.877 190 A HA -0.125 4.196 4.320 0.001 0.000 0.216 190 A C 1.430 178.621 177.584 -0.655 0.000 1.186 190 A CA 1.650 53.233 52.037 -0.757 0.000 0.620 190 A CB -0.538 17.576 19.000 -1.478 0.000 0.822 190 A HN 0.494 nan 8.150 nan 0.000 0.443 191 F N -1.148 118.652 119.950 -0.251 0.000 2.706 191 F HA 0.287 4.815 4.527 0.002 0.000 0.313 191 F C 2.178 177.541 175.800 -0.728 0.000 1.096 191 F CA -0.334 57.418 58.000 -0.413 0.000 1.219 191 F CB -0.382 38.283 39.000 -0.558 0.000 1.051 191 F HN 0.213 nan 8.300 nan 0.000 0.568 192 G N 0.619 109.191 108.800 -0.380 0.000 2.469 192 G HA2 -0.287 3.673 3.960 0.001 0.000 0.220 192 G HA3 -0.287 3.673 3.960 0.001 0.000 0.220 192 G C 1.688 176.538 174.900 -0.083 0.000 1.136 192 G CA 1.088 46.036 45.100 -0.255 0.000 0.759 192 G HN 0.225 nan 8.290 nan 0.000 0.562 193 N N -0.102 118.601 118.700 0.005 0.000 2.354 193 N HA -0.011 4.729 4.740 0.001 0.000 0.179 193 N C 2.008 177.612 175.510 0.156 0.000 1.021 193 N CA 0.548 53.656 53.050 0.096 0.000 0.887 193 N CB -0.027 38.528 38.487 0.114 0.000 0.974 193 N HN 0.335 nan 8.380 nan 0.000 0.437 194 L N 0.204 121.515 121.223 0.145 0.000 2.072 194 L HA -0.036 4.305 4.340 0.001 0.000 0.205 194 L C 1.727 178.649 176.870 0.086 0.000 1.079 194 L CA 1.435 56.317 54.840 0.071 0.000 0.752 194 L CB -0.685 41.210 42.059 -0.273 0.000 0.906 194 L HN -0.014 nan 8.230 nan 0.000 0.436 195 Y N 0.283 120.502 120.300 -0.136 0.000 2.181 195 Y HA -0.124 4.427 4.550 0.002 0.000 0.288 195 Y C 2.669 178.262 175.900 -0.512 0.000 1.146 195 Y CA 0.656 58.517 58.100 -0.399 0.000 1.164 195 Y CB -1.706 36.564 38.460 -0.318 0.000 0.982 195 Y HN 0.321 nan 8.280 nan 0.000 0.515 196 A N 0.306 123.102 122.820 -0.040 0.000 1.845 196 A HA -0.097 4.224 4.320 0.001 0.000 0.215 196 A C 2.594 180.191 177.584 0.023 0.000 1.195 196 A CA 2.199 54.234 52.037 -0.004 0.000 0.616 196 A CB -1.346 17.693 19.000 0.066 0.000 0.832 196 A HN 0.373 nan 8.150 nan 0.000 0.443 197 A N -1.127 121.732 122.820 0.066 0.000 1.903 197 A HA -0.184 4.136 4.320 0.001 0.000 0.219 197 A C 2.005 179.612 177.584 0.037 0.000 1.191 197 A CA 1.983 54.056 52.037 0.061 0.000 0.638 197 A CB -0.923 18.128 19.000 0.085 0.000 0.823 197 A HN 0.494 nan 8.150 nan 0.000 0.451 198 F N -0.399 119.493 119.950 -0.095 0.000 2.134 198 F HA -0.165 4.363 4.527 0.001 0.000 0.299 198 F C 2.425 178.216 175.800 -0.015 0.000 1.097 198 F CA 2.089 60.041 58.000 -0.081 0.000 1.264 198 F CB -0.662 38.262 39.000 -0.126 0.000 1.001 198 F HN 0.429 nan 8.300 nan 0.000 0.479 199 H N -0.856 118.307 119.070 0.155 0.000 2.389 199 H HA -0.089 4.468 4.556 0.001 0.000 0.299 199 H C 1.839 177.176 175.328 0.016 0.000 1.081 199 H CA 1.010 57.087 56.048 0.049 0.000 1.345 199 H CB -0.101 29.685 29.762 0.040 0.000 1.393 199 H HN 0.175 nan 8.280 nan 0.000 0.520 200 K N 0.484 120.965 120.400 0.134 0.000 2.504 200 K HA 0.004 4.325 4.320 0.001 0.000 0.195 200 K C 0.157 176.776 176.600 0.032 0.000 1.036 200 K CA 0.417 56.746 56.287 0.071 0.000 0.984 200 K CB 0.356 32.890 32.500 0.056 0.000 0.788 200 K HN 0.333 nan 8.250 nan 0.000 0.488 201 N N 1.401 120.103 118.700 0.004 0.000 2.679 201 N HA 0.146 4.886 4.740 0.001 0.000 0.302 201 N C -2.850 172.641 175.510 -0.032 0.000 1.941 201 N CA -0.916 52.117 53.050 -0.028 0.000 0.875 201 N CB 1.404 39.836 38.487 -0.091 0.000 1.278 201 N HN 0.052 nan 8.380 nan 0.000 0.490 202 P HA 0.266 nan 4.420 nan 0.000 0.271 202 P C 0.513 177.916 177.300 0.172 0.000 1.216 202 P CA 0.705 63.791 63.100 -0.024 0.000 0.776 202 P CB 1.414 32.942 31.700 -0.287 0.000 0.881 203 G N 0.672 109.620 108.800 0.248 0.000 2.339 203 G HA2 0.082 4.043 3.960 0.001 0.000 0.275 203 G HA3 0.082 4.043 3.960 0.001 0.000 0.275 203 G C 0.153 175.143 174.900 0.150 0.000 1.323 203 G CA -0.160 45.112 45.100 0.287 0.000 0.927 203 G HN 0.403 nan 8.290 nan 0.000 0.486 204 V N -0.732 119.239 119.914 0.096 0.000 3.647 204 V HA 0.368 4.489 4.120 0.001 0.000 0.279 204 V C 1.946 178.073 176.094 0.055 0.000 1.314 204 V CA 0.640 62.979 62.300 0.065 0.000 1.125 204 V CB -0.287 31.561 31.823 0.042 0.000 0.907 204 V HN 0.602 nan 8.190 nan 0.000 0.434 205 I N 2.530 123.115 120.570 0.025 0.000 2.296 205 I HA -0.080 4.091 4.170 0.001 0.000 0.242 205 I C 2.792 178.885 176.117 -0.040 0.000 1.087 205 I CA 2.182 63.472 61.300 -0.016 0.000 1.393 205 I CB -1.581 36.389 38.000 -0.050 0.000 1.093 205 I HN 0.553 nan 8.210 nan 0.000 0.421 206 T N -1.114 113.375 114.554 -0.108 0.000 3.023 206 T HA 0.104 4.454 4.350 0.001 0.000 0.266 206 T C 1.596 176.388 174.700 0.153 0.000 1.093 206 T CA 0.660 62.641 62.100 -0.198 0.000 1.129 206 T CB -0.499 68.001 68.868 -0.614 0.000 0.899 206 T HN 0.509 nan 8.240 nan 0.000 0.491 207 G N 0.711 109.592 108.800 0.135 0.000 2.273 207 G HA2 -0.181 3.780 3.960 0.001 0.000 0.280 207 G HA3 -0.181 3.780 3.960 0.001 0.000 0.280 207 G C 0.003 174.993 174.900 0.149 0.000 1.047 207 G CA 0.418 45.599 45.100 0.135 0.000 0.869 207 G HN 1.068 nan 8.290 nan 0.000 0.502 208 S N -1.450 114.344 115.700 0.156 0.000 2.540 208 S HA 0.775 5.246 4.470 0.001 0.000 0.275 208 S C 0.698 175.355 174.600 0.095 0.000 1.123 208 S CA 0.454 58.743 58.200 0.148 0.000 0.907 208 S CB 1.665 65.030 63.200 0.276 0.000 1.081 208 S HN 1.618 nan 8.310 nan 0.000 0.476 209 A N 3.502 126.354 122.820 0.053 0.000 2.308 209 A HA 0.417 4.738 4.320 0.001 0.000 0.217 209 A C 0.396 177.805 177.584 -0.292 0.000 1.216 209 A CA -0.002 52.024 52.037 -0.017 0.000 0.864 209 A CB -0.218 18.992 19.000 0.350 0.000 0.902 209 A HN 0.752 nan 8.150 nan 0.000 0.499 210 V N 0.560 120.155 119.914 -0.531 0.000 2.557 210 V HA 0.365 4.486 4.120 0.001 0.000 0.301 210 V C 1.621 177.614 176.094 -0.168 0.000 1.026 210 V CA 1.466 63.465 62.300 -0.502 0.000 1.137 210 V CB -0.019 31.584 31.823 -0.367 0.000 0.917 210 V HN 1.096 nan 8.190 nan 0.000 0.484 211 G N 2.968 111.684 108.800 -0.140 0.000 2.175 211 G HA2 -0.251 3.709 3.960 0.001 0.000 0.244 211 G HA3 -0.251 3.709 3.960 0.001 0.000 0.244 211 G C 0.412 175.227 174.900 -0.142 0.000 0.982 211 G CA -0.004 45.032 45.100 -0.107 0.000 0.641 211 G HN 1.333 nan 8.290 nan 0.000 0.527 212 C N 0.110 119.273 119.300 -0.230 0.000 2.520 212 C HA 0.739 5.200 4.460 0.001 0.000 0.376 212 C C 0.262 175.191 174.990 -0.101 0.000 1.268 212 C CA -0.578 58.234 59.018 -0.343 0.000 2.414 212 C CB 1.663 28.858 27.740 -0.908 0.000 2.521 212 C HN 0.472 nan 8.230 nan 0.000 0.618 213 D N 2.498 122.895 120.400 -0.005 0.000 2.460 213 D HA 0.396 5.037 4.640 0.001 0.000 0.232 213 D C -1.652 174.734 176.300 0.144 0.000 1.079 213 D CA -2.208 51.819 54.000 0.045 0.000 0.864 213 D CB 1.329 42.153 40.800 0.039 0.000 1.048 213 D HN 0.320 nan 8.370 nan 0.000 0.523 214 P HA -0.129 nan 4.420 nan 0.000 0.218 214 P C 0.632 177.915 177.300 -0.028 0.000 1.146 214 P CA 0.862 63.947 63.100 -0.025 0.000 0.820 214 P CB 0.351 31.689 31.700 -0.604 0.000 0.778 215 D N -1.345 119.070 120.400 0.025 0.000 2.263 215 D HA -0.072 4.569 4.640 0.001 0.000 0.208 215 D C 1.765 178.270 176.300 0.341 0.000 0.971 215 D CA 1.032 55.159 54.000 0.211 0.000 0.867 215 D CB -0.144 40.835 40.800 0.298 0.000 0.929 215 D HN 0.281 nan 8.370 nan 0.000 0.492 216 L N -1.518 119.839 121.223 0.223 0.000 2.609 216 L HA 0.121 4.462 4.340 0.001 0.000 0.230 216 L C 1.745 178.857 176.870 0.404 0.000 1.064 216 L CA -0.098 54.832 54.840 0.150 0.000 0.873 216 L CB 0.206 42.258 42.059 -0.012 0.000 1.139 216 L HN -0.132 nan 8.230 nan 0.000 0.490 217 F N -0.326 119.814 119.950 0.316 0.000 2.335 217 F HA -0.052 4.476 4.527 0.001 0.000 0.296 217 F C 2.114 178.198 175.800 0.474 0.000 1.091 217 F CA 0.970 59.187 58.000 0.362 0.000 1.399 217 F CB -0.098 39.130 39.000 0.380 0.000 1.067 217 F HN 0.052 nan 8.300 nan 0.000 0.520 218 W N 0.284 121.718 121.300 0.224 0.000 2.331 218 W HA -0.242 4.419 4.660 0.001 0.000 0.291 218 W C 2.167 178.755 176.519 0.115 0.000 1.214 218 W CA 1.294 58.743 57.345 0.174 0.000 1.228 218 W CB -0.410 29.103 29.460 0.089 0.000 1.135 218 W HN -0.025 nan 8.180 nan 0.000 0.537 219 S N -0.591 115.295 115.700 0.309 0.000 2.522 219 S HA -0.070 4.401 4.470 0.001 0.000 0.227 219 S C 1.535 176.137 174.600 0.003 0.000 0.986 219 S CA 0.683 58.957 58.200 0.123 0.000 0.929 219 S CB -0.055 63.194 63.200 0.081 0.000 0.769 219 S HN 0.240 nan 8.310 nan 0.000 0.529 220 K N 0.692 121.056 120.400 -0.060 0.000 2.284 220 K HA 0.252 4.573 4.320 0.001 0.000 0.198 220 K C 1.687 178.130 176.600 -0.262 0.000 1.048 220 K CA 0.301 56.489 56.287 -0.166 0.000 0.987 220 K CB 0.035 32.390 32.500 -0.241 0.000 0.800 220 K HN 0.297 nan 8.250 nan 0.000 0.486 221 I N 1.352 121.724 120.570 -0.330 0.000 2.193 221 I HA -0.158 4.013 4.170 0.001 0.000 0.240 221 I C -1.100 174.913 176.117 -0.174 0.000 1.084 221 I CA 0.878 61.994 61.300 -0.307 0.000 1.365 221 I CB -0.771 37.045 38.000 -0.308 0.000 1.064 221 I HN 0.026 nan 8.210 nan 0.000 0.410 222 P HA -0.136 nan 4.420 nan 0.000 0.217 222 P C 1.844 179.061 177.300 -0.139 0.000 1.148 222 P CA 1.200 64.066 63.100 -0.392 0.000 0.828 222 P CB 0.020 31.204 31.700 -0.860 0.000 0.783 223 V N -0.653 119.178 119.914 -0.139 0.000 2.358 223 V HA -0.195 3.926 4.120 0.001 0.000 0.246 223 V C 2.391 178.454 176.094 -0.052 0.000 1.047 223 V CA 1.536 63.786 62.300 -0.083 0.000 1.035 223 V CB -1.216 30.560 31.823 -0.078 0.000 0.658 223 V HN 0.083 nan 8.190 nan 0.000 0.452 224 L N -0.979 120.204 121.223 -0.067 0.000 2.141 224 L HA -0.059 4.282 4.340 0.001 0.000 0.209 224 L C 1.377 178.233 176.870 -0.024 0.000 1.094 224 L CA 0.693 55.505 54.840 -0.046 0.000 0.763 224 L CB -0.402 41.615 42.059 -0.070 0.000 0.908 224 L HN 0.319 nan 8.230 nan 0.000 0.437 225 M N -0.200 119.398 119.600 -0.003 0.000 2.202 225 M HA 0.112 4.593 4.480 0.001 0.000 0.316 225 M C 0.877 177.182 176.300 0.008 0.000 1.138 225 M CA 0.264 55.564 55.300 0.001 0.000 1.151 225 M CB 0.579 33.203 32.600 0.040 0.000 1.422 225 M HN -0.031 nan 8.290 nan 0.000 0.471 226 E N 0.989 121.175 120.200 -0.023 0.000 4.471 226 E HA 0.008 4.359 4.350 0.001 0.000 0.438 226 E C 0.916 177.499 176.600 -0.029 0.000 1.497 226 E CA 0.012 56.382 56.400 -0.051 0.000 2.657 226 E CB 0.265 29.908 29.700 -0.095 0.000 1.488 226 E HN 0.429 nan 8.360 nan 0.000 0.743 227 E N 0.060 120.221 120.200 -0.066 0.000 2.340 227 E HA 0.033 4.384 4.350 0.001 0.000 0.194 227 E C -0.290 176.291 176.600 -0.030 0.000 0.996 227 E CA 0.599 56.984 56.400 -0.026 0.000 0.869 227 E CB 0.473 30.138 29.700 -0.057 0.000 0.835 227 E HN 0.113 nan 8.360 nan 0.000 0.493 228 K N 0.811 121.183 120.400 -0.047 0.000 2.471 228 K HA 0.425 4.746 4.320 0.001 0.000 0.252 228 K C -0.189 176.385 176.600 -0.043 0.000 0.938 228 K CA -0.417 55.846 56.287 -0.039 0.000 0.796 228 K CB 2.172 34.691 32.500 0.031 0.000 1.161 228 K HN -0.080 nan 8.250 nan 0.000 0.425 229 L N 3.203 124.323 121.223 -0.172 0.000 2.375 229 L HA 0.642 4.983 4.340 0.001 0.000 0.268 229 L C -0.054 176.803 176.870 -0.020 0.000 1.058 229 L CA -1.065 53.617 54.840 -0.263 0.000 0.803 229 L CB 0.447 42.145 42.059 -0.602 0.000 1.212 229 L HN 0.573 nan 8.230 nan 0.000 0.451 230 F N -0.241 119.593 119.950 -0.193 0.000 2.686 230 F HA 0.936 5.464 4.527 0.001 0.000 0.311 230 F C -0.805 174.923 175.800 -0.119 0.000 1.128 230 F CA -0.829 57.107 58.000 -0.107 0.000 0.946 230 F CB 1.456 40.438 39.000 -0.032 0.000 1.336 230 F HN 0.618 nan 8.300 nan 0.000 0.457 231 A N 1.291 124.143 122.820 0.052 0.000 2.511 231 A HA 0.903 5.224 4.320 0.001 0.000 0.293 231 A C -1.928 175.707 177.584 0.086 0.000 1.098 231 A CA -0.297 51.631 52.037 -0.181 0.000 0.643 231 A CB 1.333 20.136 19.000 -0.329 0.000 1.302 231 A HN 2.056 nan 8.150 nan 0.000 0.446 232 F N -1.845 118.018 119.950 -0.144 0.000 2.829 232 F HA 0.660 5.188 4.527 0.001 0.000 0.319 232 F C -1.486 174.178 175.800 -0.226 0.000 1.153 232 F CA -1.002 56.884 58.000 -0.189 0.000 0.912 232 F CB 0.139 39.073 39.000 -0.109 0.000 1.292 232 F HN 0.446 nan 8.300 nan 0.000 0.447 233 D N 0.065 120.448 120.400 -0.028 0.000 2.437 233 D HA 0.503 5.143 4.640 0.001 0.000 0.259 233 D C -1.328 174.971 176.300 -0.002 0.000 1.118 233 D CA -0.042 53.930 54.000 -0.046 0.000 1.017 233 D CB 1.022 41.814 40.800 -0.014 0.000 1.120 233 D HN 0.555 nan 8.370 nan 0.000 0.541 234 Y N -0.920 119.482 120.300 0.170 0.000 2.524 234 Y HA 0.426 4.977 4.550 0.002 0.000 0.344 234 Y C 0.257 176.241 175.900 0.141 0.000 1.012 234 Y CA -0.768 57.461 58.100 0.216 0.000 1.068 234 Y CB 2.056 40.699 38.460 0.306 0.000 1.249 234 Y HN 0.032 nan 8.280 nan 0.000 0.468 235 T N 0.759 115.496 114.554 0.304 0.000 2.794 235 T HA 0.453 4.804 4.350 0.001 0.000 0.280 235 T C 0.369 175.174 174.700 0.174 0.000 0.987 235 T CA -0.440 61.773 62.100 0.188 0.000 0.993 235 T CB 1.169 70.117 68.868 0.132 0.000 0.939 235 T HN 1.070 nan 8.240 nan 0.000 0.449 236 G N 1.929 110.803 108.800 0.124 0.000 2.306 236 G HA2 -0.311 3.650 3.960 0.001 0.000 0.274 236 G HA3 -0.311 3.650 3.960 0.001 0.000 0.274 236 G C 0.364 175.328 174.900 0.106 0.000 0.890 236 G CA 0.720 45.874 45.100 0.089 0.000 1.298 236 G HN 0.913 nan 8.290 nan 0.000 0.445 237 Y N 0.660 120.954 120.300 -0.011 0.000 2.036 237 Y HA -0.197 4.354 4.550 0.001 0.000 0.273 237 Y C 2.446 178.279 175.900 -0.112 0.000 1.135 237 Y CA 2.366 60.384 58.100 -0.137 0.000 1.106 237 Y CB -0.073 38.224 38.460 -0.271 0.000 0.976 237 Y HN 0.431 nan 8.280 nan 0.000 0.483 238 D N 0.450 120.942 120.400 0.154 0.000 2.127 238 D HA -0.294 4.347 4.640 0.001 0.000 0.190 238 D C 2.309 178.636 176.300 0.045 0.000 1.000 238 D CA 1.906 55.966 54.000 0.100 0.000 0.839 238 D CB -1.052 39.847 40.800 0.166 0.000 0.955 238 D HN 0.514 nan 8.370 nan 0.000 0.446 239 A N 0.677 123.528 122.820 0.052 0.000 1.958 239 A HA -0.217 4.104 4.320 0.001 0.000 0.221 239 A C 2.199 179.823 177.584 0.067 0.000 1.178 239 A CA 2.713 54.787 52.037 0.061 0.000 0.642 239 A CB -0.607 18.401 19.000 0.013 0.000 0.816 239 A HN 0.358 nan 8.150 nan 0.000 0.453 240 S N -1.158 114.546 115.700 0.008 0.000 2.575 240 S HA 0.317 4.788 4.470 0.001 0.000 0.215 240 S C 0.420 175.016 174.600 -0.008 0.000 0.966 240 S CA -0.453 57.757 58.200 0.016 0.000 0.911 240 S CB -0.555 62.653 63.200 0.013 0.000 0.780 240 S HN 0.355 nan 8.310 nan 0.000 0.514 241 L N 3.819 125.002 121.223 -0.066 0.000 2.562 241 L HA 0.190 4.531 4.340 0.001 0.000 0.271 241 L C 0.670 177.696 176.870 0.260 0.000 1.167 241 L CA -0.298 54.517 54.840 -0.042 0.000 0.917 241 L CB 0.321 42.291 42.059 -0.149 0.000 1.187 241 L HN 0.432 nan 8.230 nan 0.000 0.482 242 S N 3.171 119.079 115.700 0.347 0.000 2.608 242 S HA 0.444 4.915 4.470 0.001 0.000 0.291 242 S C -1.870 172.950 174.600 0.367 0.000 1.146 242 S CA -1.516 56.881 58.200 0.329 0.000 1.043 242 S CB 1.804 65.163 63.200 0.264 0.000 1.037 242 S HN 0.318 nan 8.310 nan 0.000 0.520 243 P HA -0.212 nan 4.420 nan 0.000 0.218 243 P C 1.553 178.957 177.300 0.174 0.000 1.152 243 P CA 2.345 65.596 63.100 0.252 0.000 0.857 243 P CB -0.225 31.545 31.700 0.115 0.000 0.787 244 A N -2.078 120.753 122.820 0.018 0.000 1.933 244 A HA -0.186 4.135 4.320 0.001 0.000 0.218 244 A C 2.114 179.583 177.584 -0.190 0.000 1.175 244 A CA 1.515 53.461 52.037 -0.152 0.000 0.628 244 A CB -1.807 16.997 19.000 -0.326 0.000 0.814 244 A HN 0.261 nan 8.150 nan 0.000 0.444 245 W N -1.463 119.831 121.300 -0.011 0.000 2.381 245 W HA -0.070 4.591 4.660 0.001 0.000 0.301 245 W C 1.956 178.362 176.519 -0.189 0.000 1.205 245 W CA 0.502 57.755 57.345 -0.153 0.000 1.285 245 W CB -0.462 28.815 29.460 -0.305 0.000 1.133 245 W HN 0.342 nan 8.180 nan 0.000 0.521 246 F N 0.476 120.541 119.950 0.192 0.000 2.171 246 F HA -0.201 4.327 4.527 0.001 0.000 0.300 246 F C 2.336 178.152 175.800 0.027 0.000 1.090 246 F CA 1.833 59.877 58.000 0.073 0.000 1.293 246 F CB -1.048 37.979 39.000 0.044 0.000 1.013 246 F HN -0.127 nan 8.300 nan 0.000 0.486 247 E N 0.602 120.916 120.200 0.190 0.000 2.051 247 E HA -0.172 4.179 4.350 0.001 0.000 0.192 247 E C 2.215 178.854 176.600 0.065 0.000 0.991 247 E CA 1.416 57.871 56.400 0.090 0.000 0.799 247 E CB -0.377 29.347 29.700 0.040 0.000 0.748 247 E HN 0.217 nan 8.360 nan 0.000 0.449 248 A N 0.502 123.355 122.820 0.055 0.000 1.972 248 A HA -0.104 4.216 4.320 0.001 0.000 0.219 248 A C 2.133 179.782 177.584 0.108 0.000 1.169 248 A CA 1.348 53.429 52.037 0.074 0.000 0.635 248 A CB -0.767 18.280 19.000 0.078 0.000 0.810 248 A HN 0.402 nan 8.150 nan 0.000 0.446 249 L N 0.228 121.511 121.223 0.101 0.000 1.956 249 L HA -0.209 4.132 4.340 0.001 0.000 0.216 249 L C 2.205 179.091 176.870 0.026 0.000 1.073 249 L CA 2.583 57.455 54.840 0.053 0.000 0.762 249 L CB -0.793 41.252 42.059 -0.023 0.000 0.889 249 L HN 0.385 nan 8.230 nan 0.000 0.433 250 K N -1.039 119.376 120.400 0.025 0.000 2.127 250 K HA -0.244 4.077 4.320 0.001 0.000 0.208 250 K C 2.040 178.678 176.600 0.063 0.000 1.047 250 K CA 2.279 58.589 56.287 0.038 0.000 0.927 250 K CB -0.387 32.140 32.500 0.046 0.000 0.716 250 K HN 0.405 nan 8.250 nan 0.000 0.450 251 M N 0.137 119.776 119.600 0.066 0.000 2.175 251 M HA -0.147 4.334 4.480 0.001 0.000 0.264 251 M C 2.119 178.469 176.300 0.084 0.000 1.063 251 M CA 1.152 56.494 55.300 0.071 0.000 1.119 251 M CB -0.066 32.572 32.600 0.064 0.000 1.377 251 M HN -0.047 nan 8.290 nan 0.000 0.415 252 V N 0.582 120.553 119.914 0.096 0.000 2.358 252 V HA -0.230 3.891 4.120 0.001 0.000 0.246 252 V C 2.244 178.391 176.094 0.087 0.000 1.047 252 V CA 1.454 63.812 62.300 0.096 0.000 1.035 252 V CB -0.598 31.306 31.823 0.134 0.000 0.658 252 V HN 0.461 nan 8.190 nan 0.000 0.452 253 L N -0.111 121.163 121.223 0.085 0.000 2.046 253 L HA -0.212 4.129 4.340 0.001 0.000 0.208 253 L C 2.597 179.592 176.870 0.208 0.000 1.077 253 L CA 1.824 56.743 54.840 0.132 0.000 0.747 253 L CB -0.654 41.476 42.059 0.119 0.000 0.896 253 L HN 0.421 nan 8.230 nan 0.000 0.432 254 E N 0.082 120.371 120.200 0.148 0.000 2.072 254 E HA -0.197 4.154 4.350 0.001 0.000 0.191 254 E C 2.103 178.771 176.600 0.113 0.000 0.985 254 E CA 0.881 57.358 56.400 0.128 0.000 0.801 254 E CB -0.059 29.694 29.700 0.088 0.000 0.750 254 E HN 0.369 nan 8.360 nan 0.000 0.452 255 K N 0.813 121.272 120.400 0.098 0.000 2.209 255 K HA -0.099 4.222 4.320 0.001 0.000 0.204 255 K C 2.173 178.827 176.600 0.089 0.000 1.048 255 K CA 1.207 57.541 56.287 0.078 0.000 0.940 255 K CB -0.138 32.399 32.500 0.062 0.000 0.729 255 K HN 0.381 nan 8.250 nan 0.000 0.451 256 I N -4.208 116.446 120.570 0.140 0.000 3.883 256 I HA 0.271 4.442 4.170 0.001 0.000 0.326 256 I C 0.754 177.027 176.117 0.261 0.000 1.283 256 I CA 0.369 61.777 61.300 0.181 0.000 1.161 256 I CB 0.641 38.750 38.000 0.182 0.000 1.012 256 I HN 0.116 nan 8.210 nan 0.000 0.421 257 G N 1.219 110.156 108.800 0.228 0.000 2.151 257 G HA2 -0.200 3.761 3.960 0.001 0.000 0.140 257 G HA3 -0.200 3.761 3.960 0.001 0.000 0.140 257 G C -0.045 174.810 174.900 -0.074 0.000 1.020 257 G CA -0.231 44.903 45.100 0.057 0.000 0.688 257 G HN 0.346 nan 8.290 nan 0.000 0.500 258 F N 1.064 121.048 119.950 0.056 0.000 2.724 258 F HA 0.375 4.903 4.527 0.002 0.000 0.310 258 F C 2.228 178.069 175.800 0.069 0.000 1.107 258 F CA 0.337 58.377 58.000 0.068 0.000 1.218 258 F CB 0.547 39.656 39.000 0.182 0.000 1.042 258 F HN 0.164 nan 8.300 nan 0.000 0.540 259 G N 0.905 109.812 108.800 0.178 0.000 2.545 259 G HA2 -0.357 3.603 3.960 0.001 0.000 0.222 259 G HA3 -0.357 3.603 3.960 0.001 0.000 0.222 259 G C 1.462 176.419 174.900 0.094 0.000 1.126 259 G CA 1.601 46.774 45.100 0.123 0.000 0.754 259 G HN 0.441 nan 8.290 nan 0.000 0.583 260 D N 0.734 121.167 120.400 0.054 0.000 2.350 260 D HA -0.108 4.533 4.640 0.001 0.000 0.216 260 D C 1.803 178.139 176.300 0.059 0.000 0.968 260 D CA 0.590 54.611 54.000 0.035 0.000 0.894 260 D CB -0.269 40.526 40.800 -0.009 0.000 0.909 260 D HN 0.537 nan 8.370 nan 0.000 0.520 261 R N 0.891 121.443 120.500 0.087 0.000 2.629 261 R HA 0.203 4.544 4.340 0.001 0.000 0.386 261 R C 1.611 178.091 176.300 0.299 0.000 1.071 261 R CA 0.070 56.245 56.100 0.126 0.000 1.104 261 R CB -0.488 29.671 30.300 -0.233 0.000 1.370 261 R HN 0.146 nan 8.270 nan 0.000 0.574 262 V N -0.578 119.473 119.914 0.227 0.000 2.759 262 V HA -0.218 3.902 4.120 0.001 0.000 0.256 262 V C 1.733 177.888 176.094 0.101 0.000 1.080 262 V CA 1.759 64.170 62.300 0.184 0.000 1.101 262 V CB -0.516 31.372 31.823 0.109 0.000 0.698 262 V HN 0.171 nan 8.190 nan 0.000 0.477 263 D N 0.083 120.511 120.400 0.045 0.000 2.149 263 D HA -0.318 4.323 4.640 0.001 0.000 0.194 263 D C 2.023 178.118 176.300 -0.342 0.000 1.001 263 D CA 2.211 56.095 54.000 -0.193 0.000 0.849 263 D CB -0.800 39.867 40.800 -0.221 0.000 0.939 263 D HN 0.583 nan 8.370 nan 0.000 0.449 264 Y N 0.886 121.113 120.300 -0.121 0.000 2.193 264 Y HA -0.198 4.353 4.550 0.001 0.000 0.285 264 Y C 2.646 178.602 175.900 0.094 0.000 1.166 264 Y CA 0.535 58.700 58.100 0.109 0.000 1.181 264 Y CB -0.084 38.622 38.460 0.410 0.000 0.976 264 Y HN -0.053 nan 8.280 nan 0.000 0.520 265 I N 0.041 120.709 120.570 0.164 0.000 2.208 265 I HA -0.300 3.871 4.170 0.001 0.000 0.245 265 I C 1.871 177.964 176.117 -0.040 0.000 1.097 265 I CA 1.423 62.731 61.300 0.013 0.000 1.363 265 I CB -1.298 36.672 38.000 -0.051 0.000 1.051 265 I HN 0.273 nan 8.210 nan 0.000 0.413 266 D N 0.254 120.594 120.400 -0.100 0.000 2.092 266 D HA -0.219 4.421 4.640 0.001 0.000 0.193 266 D C 2.247 178.547 176.300 0.001 0.000 0.994 266 D CA 1.358 55.293 54.000 -0.108 0.000 0.828 266 D CB -0.430 40.270 40.800 -0.167 0.000 0.963 266 D HN 0.244 nan 8.370 nan 0.000 0.450 267 Y N 1.411 121.719 120.300 0.014 0.000 2.040 267 Y HA -0.215 4.336 4.550 0.001 0.000 0.275 267 Y C 2.700 178.594 175.900 -0.011 0.000 1.171 267 Y CA 0.361 58.462 58.100 0.002 0.000 1.123 267 Y CB -1.291 37.126 38.460 -0.072 0.000 0.963 267 Y HN -0.011 nan 8.280 nan 0.000 0.493 268 L N -0.023 121.300 121.223 0.166 0.000 1.991 268 L HA -0.384 3.957 4.340 0.001 0.000 0.221 268 L C 2.029 178.865 176.870 -0.055 0.000 1.079 268 L CA 2.250 57.127 54.840 0.063 0.000 0.778 268 L CB -0.940 41.160 42.059 0.068 0.000 0.893 268 L HN 0.371 nan 8.230 nan 0.000 0.437 269 N N -1.907 116.695 118.700 -0.163 0.000 2.348 269 N HA -0.206 4.535 4.740 0.001 0.000 0.185 269 N C 0.908 176.386 175.510 -0.055 0.000 1.019 269 N CA 0.386 53.290 53.050 -0.243 0.000 0.880 269 N CB -0.095 38.211 38.487 -0.301 0.000 0.965 269 N HN 0.407 nan 8.380 nan 0.000 0.437 270 H N 0.399 119.408 119.070 -0.101 0.000 2.439 270 H HA 0.232 4.788 4.556 0.001 0.000 0.239 270 H C -0.988 174.237 175.328 -0.172 0.000 1.432 270 H CA -0.684 55.298 56.048 -0.110 0.000 1.373 270 H CB 0.188 29.951 29.762 0.000 0.000 1.463 270 H HN 0.022 nan 8.280 nan 0.000 0.530 271 S N 2.838 118.315 115.700 -0.371 0.000 2.475 271 S HA 0.320 4.791 4.470 0.001 0.000 0.298 271 S C -0.756 173.369 174.600 -0.793 0.000 1.119 271 S CA -0.908 56.995 58.200 -0.494 0.000 1.085 271 S CB 1.557 64.534 63.200 -0.372 0.000 1.028 271 S HN 0.573 nan 8.310 nan 0.000 0.489 272 H N 1.712 120.423 119.070 -0.598 0.000 2.488 272 H HA 0.479 5.036 4.556 0.002 0.000 0.322 272 H C -0.137 174.745 175.328 -0.743 0.000 1.078 272 H CA -0.397 55.302 56.048 -0.581 0.000 1.260 272 H CB 0.638 30.158 29.762 -0.404 0.000 1.425 272 H HN 0.639 nan 8.280 nan 0.000 0.471 273 H N 3.016 121.670 119.070 -0.692 0.000 2.495 273 H HA 0.305 4.862 4.556 0.002 0.000 0.348 273 H C -0.415 174.645 175.328 -0.448 0.000 1.113 273 H CA -0.782 54.865 56.048 -0.668 0.000 1.195 273 H CB 2.150 31.274 29.762 -1.064 0.000 1.521 273 H HN 0.378 nan 8.280 nan 0.000 0.509 274 L N 3.596 124.736 121.223 -0.137 0.000 2.272 274 L HA 0.172 4.512 4.340 0.001 0.000 0.289 274 L C -0.956 176.026 176.870 0.187 0.000 1.032 274 L CA -0.686 54.139 54.840 -0.025 0.000 0.810 274 L CB 0.655 42.609 42.059 -0.175 0.000 1.205 274 L HN 0.520 nan 8.230 nan 0.000 0.422 275 Y N 5.251 125.631 120.300 0.132 0.000 2.402 275 Y HA 0.318 4.869 4.550 0.001 0.000 0.325 275 Y C 0.312 176.262 175.900 0.082 0.000 1.009 275 Y CA -1.181 56.997 58.100 0.130 0.000 1.278 275 Y CB 0.338 38.973 38.460 0.292 0.000 1.105 275 Y HN 0.655 nan 8.280 nan 0.000 0.476 276 K N 1.636 121.937 120.400 -0.164 0.000 3.807 276 K HA -0.347 3.974 4.320 0.001 0.000 0.199 276 K C 0.758 177.306 176.600 -0.086 0.000 0.845 276 K CA 2.042 58.195 56.287 -0.223 0.000 0.580 276 K CB -1.110 31.101 32.500 -0.482 0.000 0.757 276 K HN 0.806 nan 8.250 nan 0.000 0.744 277 N N 1.626 120.271 118.700 -0.091 0.000 2.236 277 N HA 0.040 4.781 4.740 0.001 0.000 0.196 277 N C -0.167 175.359 175.510 0.027 0.000 1.114 277 N CA -0.057 52.985 53.050 -0.013 0.000 0.859 277 N CB 0.482 38.960 38.487 -0.014 0.000 0.982 277 N HN 0.104 nan 8.380 nan 0.000 0.493 278 K N 1.129 121.545 120.400 0.027 0.000 2.132 278 K HA 0.410 4.731 4.320 0.001 0.000 0.241 278 K C -0.479 176.228 176.600 0.180 0.000 1.000 278 K CA -0.228 56.119 56.287 0.099 0.000 0.911 278 K CB 1.504 34.051 32.500 0.077 0.000 1.093 278 K HN -0.144 nan 8.250 nan 0.000 0.460 279 T N 1.814 116.506 114.554 0.231 0.000 3.170 279 T HA 0.335 4.685 4.350 0.001 0.000 0.315 279 T C -1.031 173.784 174.700 0.191 0.000 0.967 279 T CA -0.770 61.470 62.100 0.234 0.000 1.024 279 T CB 0.146 69.205 68.868 0.318 0.000 1.018 279 T HN 0.470 nan 8.240 nan 0.000 0.449 280 Y N -0.126 120.067 120.300 -0.179 0.000 2.568 280 Y HA 0.877 5.428 4.550 0.002 0.000 0.327 280 Y C 0.150 175.607 175.900 -0.738 0.000 1.163 280 Y CA -1.407 56.413 58.100 -0.466 0.000 1.219 280 Y CB 0.844 39.051 38.460 -0.421 0.000 1.308 280 Y HN 0.651 nan 8.280 nan 0.000 0.503 281 C N 1.788 120.452 119.300 -1.060 0.000 2.561 281 C HA 0.887 5.348 4.460 0.001 0.000 0.319 281 C C -1.002 173.602 174.990 -0.643 0.000 1.198 281 C CA -0.393 57.987 59.018 -1.062 0.000 1.665 281 C CB 0.888 27.815 27.740 -1.356 0.000 2.258 281 C HN 0.757 nan 8.230 nan 0.000 0.493 282 V N 5.559 125.168 119.914 -0.509 0.000 2.577 282 V HA 0.498 4.619 4.120 0.001 0.000 0.303 282 V C -0.468 175.524 176.094 -0.170 0.000 1.042 282 V CA -0.565 61.538 62.300 -0.328 0.000 0.872 282 V CB 1.722 33.336 31.823 -0.349 0.000 0.998 282 V HN 0.864 nan 8.190 nan 0.000 0.423 283 K N 2.699 123.043 120.400 -0.094 0.000 2.164 283 K HA 0.744 5.065 4.320 0.001 0.000 0.258 283 K C 0.421 177.000 176.600 -0.036 0.000 0.951 283 K CA 0.128 56.396 56.287 -0.032 0.000 0.844 283 K CB 1.917 34.408 32.500 -0.015 0.000 1.099 283 K HN 1.157 nan 8.250 nan 0.000 0.435 284 G N 1.050 109.813 108.800 -0.062 0.000 2.814 284 G HA2 0.131 4.092 3.960 0.001 0.000 0.677 284 G HA3 0.131 4.092 3.960 0.001 0.000 0.677 284 G C 0.105 174.955 174.900 -0.084 0.000 1.429 284 G CA -0.488 44.572 45.100 -0.066 0.000 0.868 284 G HN 1.054 nan 8.290 nan 0.000 0.553 285 G N -1.013 107.760 108.800 -0.044 0.000 2.819 285 G HA2 0.280 4.241 3.960 0.001 0.000 0.682 285 G HA3 0.280 4.241 3.960 0.001 0.000 0.682 285 G C -0.070 174.773 174.900 -0.095 0.000 1.481 285 G CA 0.624 45.781 45.100 0.095 0.000 0.904 285 G HN 2.261 nan 8.290 nan 0.000 0.563 286 M N 1.821 121.538 119.600 0.195 0.000 2.197 286 M HA 0.533 5.014 4.480 0.001 0.000 0.301 286 M C -2.468 173.959 176.300 0.212 0.000 0.987 286 M CA -2.058 53.353 55.300 0.184 0.000 0.921 286 M CB 2.018 34.862 32.600 0.408 0.000 1.569 286 M HN 0.366 nan 8.290 nan 0.000 0.431 287 P HA 0.147 nan 4.420 nan 0.000 0.267 287 P C 0.297 177.698 177.300 0.167 0.000 1.205 287 P CA -0.138 63.089 63.100 0.212 0.000 0.765 287 P CB 0.858 32.687 31.700 0.215 0.000 0.828 288 S N 2.475 118.261 115.700 0.144 0.000 2.374 288 S HA -0.168 4.303 4.470 0.001 0.000 0.227 288 S C 2.009 176.659 174.600 0.083 0.000 1.037 288 S CA 1.372 59.633 58.200 0.101 0.000 1.024 288 S CB -1.641 61.602 63.200 0.071 0.000 0.861 288 S HN 0.558 nan 8.310 nan 0.000 0.456 289 G N 0.284 109.141 108.800 0.095 0.000 2.807 289 G HA2 0.123 4.084 3.960 0.001 0.000 0.207 289 G HA3 0.123 4.084 3.960 0.001 0.000 0.207 289 G C 0.429 175.377 174.900 0.080 0.000 1.151 289 G CA 0.161 45.310 45.100 0.082 0.000 0.800 289 G HN 0.580 nan 8.290 nan 0.000 0.523 290 C N -0.210 119.146 119.300 0.094 0.000 2.520 290 C HA 0.580 5.041 4.460 0.001 0.000 0.376 290 C C 1.341 176.383 174.990 0.087 0.000 1.268 290 C CA -0.764 58.322 59.018 0.113 0.000 2.414 290 C CB 1.217 29.052 27.740 0.158 0.000 2.521 290 C HN 0.362 nan 8.230 nan 0.000 0.618 291 S N 0.721 116.493 115.700 0.121 0.000 2.533 291 S HA 0.423 4.893 4.470 0.001 0.000 0.282 291 S C 1.130 175.745 174.600 0.025 0.000 1.304 291 S CA 0.826 59.078 58.200 0.086 0.000 1.063 291 S CB -0.081 63.255 63.200 0.227 0.000 0.881 291 S HN 1.831 nan 8.310 nan 0.000 0.493 292 G N 3.345 111.929 108.800 -0.360 0.000 2.217 292 G HA2 -0.339 3.621 3.960 0.001 0.000 0.246 292 G HA3 -0.339 3.621 3.960 0.001 0.000 0.246 292 G C 1.045 175.559 174.900 -0.642 0.000 0.990 292 G CA 1.011 45.639 45.100 -0.786 0.000 0.627 292 G HN 1.409 nan 8.290 nan 0.000 0.522 293 T N -1.021 113.406 114.554 -0.213 0.000 2.720 293 T HA -0.114 4.236 4.350 0.001 0.000 0.268 293 T C 2.423 177.069 174.700 -0.091 0.000 1.037 293 T CA 2.455 64.543 62.100 -0.020 0.000 1.144 293 T CB -0.496 68.409 68.868 0.063 0.000 0.864 293 T HN 1.162 nan 8.240 nan 0.000 0.444 294 S N 0.670 116.273 115.700 -0.163 0.000 2.399 294 S HA 0.018 4.489 4.470 0.001 0.000 0.231 294 S C 2.007 176.483 174.600 -0.207 0.000 1.022 294 S CA 0.860 58.990 58.200 -0.117 0.000 0.983 294 S CB -0.618 62.544 63.200 -0.062 0.000 0.803 294 S HN 0.619 nan 8.310 nan 0.000 0.480 295 I N -0.098 120.240 120.570 -0.388 0.000 2.480 295 I HA 0.005 4.176 4.170 0.001 0.000 0.251 295 I C 1.713 177.630 176.117 -0.333 0.000 1.124 295 I CA 0.607 61.607 61.300 -0.500 0.000 1.444 295 I CB -0.252 37.283 38.000 -0.776 0.000 1.098 295 I HN 0.265 nan 8.210 nan 0.000 0.428 296 F N 1.337 121.157 119.950 -0.217 0.000 2.134 296 F HA -0.182 4.346 4.527 0.001 0.000 0.299 296 F C 2.385 178.137 175.800 -0.081 0.000 1.097 296 F CA 1.007 58.923 58.000 -0.139 0.000 1.264 296 F CB -1.381 37.576 39.000 -0.072 0.000 1.001 296 F HN 0.122 nan 8.300 nan 0.000 0.479 297 N N 0.084 118.860 118.700 0.126 0.000 2.120 297 N HA -0.138 4.603 4.740 0.001 0.000 0.188 297 N C 2.005 177.512 175.510 -0.005 0.000 1.024 297 N CA 1.514 54.613 53.050 0.081 0.000 0.852 297 N CB -0.580 37.934 38.487 0.045 0.000 1.003 297 N HN 0.137 nan 8.380 nan 0.000 0.424 298 S N 0.942 116.621 115.700 -0.036 0.000 2.356 298 S HA -0.040 4.430 4.470 0.001 0.000 0.223 298 S C 2.060 176.673 174.600 0.023 0.000 1.032 298 S CA 0.933 59.122 58.200 -0.020 0.000 1.005 298 S CB -0.145 63.045 63.200 -0.017 0.000 0.867 298 S HN 0.305 nan 8.310 nan 0.000 0.449 299 M N 0.867 120.513 119.600 0.078 0.000 2.080 299 M HA -0.088 4.393 4.480 0.001 0.000 0.260 299 M C 2.078 178.389 176.300 0.018 0.000 1.068 299 M CA 1.538 56.952 55.300 0.190 0.000 1.109 299 M CB -0.663 32.119 32.600 0.304 0.000 1.342 299 M HN 0.253 nan 8.290 nan 0.000 0.405 300 I N 0.128 120.703 120.570 0.007 0.000 2.127 300 I HA -0.362 3.808 4.170 0.001 0.000 0.241 300 I C 2.354 178.368 176.117 -0.171 0.000 1.075 300 I CA 1.195 62.443 61.300 -0.087 0.000 1.334 300 I CB -0.770 37.133 38.000 -0.162 0.000 1.040 300 I HN 0.408 nan 8.210 nan 0.000 0.405 301 N N 1.534 120.184 118.700 -0.083 0.000 2.069 301 N HA -0.262 4.479 4.740 0.001 0.000 0.196 301 N C 1.474 176.915 175.510 -0.114 0.000 1.024 301 N CA 1.792 54.808 53.050 -0.058 0.000 0.869 301 N CB -0.517 37.943 38.487 -0.045 0.000 1.035 301 N HN 0.382 nan 8.380 nan 0.000 0.434 302 N N 0.233 118.796 118.700 -0.228 0.000 2.149 302 N HA -0.122 4.619 4.740 0.001 0.000 0.188 302 N C 1.831 177.172 175.510 -0.283 0.000 1.019 302 N CA 0.824 53.642 53.050 -0.387 0.000 0.857 302 N CB -0.076 37.796 38.487 -1.025 0.000 0.997 302 N HN 0.335 nan 8.380 nan 0.000 0.426 303 L N 0.773 121.876 121.223 -0.201 0.000 2.068 303 L HA -0.044 4.296 4.340 0.001 0.000 0.204 303 L C 2.318 179.225 176.870 0.061 0.000 1.076 303 L CA 0.574 55.436 54.840 0.037 0.000 0.753 303 L CB -0.353 41.837 42.059 0.218 0.000 0.910 303 L HN 0.058 nan 8.230 nan 0.000 0.439 304 I N 0.172 120.594 120.570 -0.246 0.000 2.118 304 I HA -0.373 3.798 4.170 0.001 0.000 0.241 304 I C 2.440 178.542 176.117 -0.025 0.000 1.070 304 I CA 1.808 62.872 61.300 -0.392 0.000 1.327 304 I CB -0.183 37.501 38.000 -0.527 0.000 1.034 304 I HN 0.175 nan 8.210 nan 0.000 0.405 305 I N -0.047 120.555 120.570 0.054 0.000 2.202 305 I HA -0.270 3.901 4.170 0.001 0.000 0.242 305 I C 2.685 178.867 176.117 0.108 0.000 1.091 305 I CA 1.231 62.623 61.300 0.154 0.000 1.368 305 I CB -0.342 37.793 38.000 0.225 0.000 1.058 305 I HN 0.092 nan 8.210 nan 0.000 0.410 306 R N -0.023 120.532 120.500 0.092 0.000 2.119 306 R HA -0.194 4.147 4.340 0.001 0.000 0.246 306 R C 2.280 178.635 176.300 0.092 0.000 1.146 306 R CA 2.141 58.301 56.100 0.101 0.000 0.962 306 R CB -0.598 29.791 30.300 0.150 0.000 0.863 306 R HN 0.344 nan 8.270 nan 0.000 0.442 307 T N 1.023 115.646 114.554 0.115 0.000 2.821 307 T HA -0.037 4.314 4.350 0.001 0.000 0.267 307 T C 1.740 176.463 174.700 0.039 0.000 1.046 307 T CA 1.006 63.176 62.100 0.117 0.000 1.139 307 T CB -0.011 68.949 68.868 0.153 0.000 0.871 307 T HN 0.146 nan 8.240 nan 0.000 0.454 308 L N 0.406 121.644 121.223 0.025 0.000 2.095 308 L HA 0.091 4.432 4.340 0.001 0.000 0.204 308 L C 2.469 179.311 176.870 -0.046 0.000 1.080 308 L CA 0.841 55.678 54.840 -0.005 0.000 0.759 308 L CB -0.750 41.304 42.059 -0.009 0.000 0.914 308 L HN 0.210 nan 8.230 nan 0.000 0.439 309 L N -0.044 121.145 121.223 -0.055 0.000 2.129 309 L HA -0.257 4.084 4.340 0.001 0.000 0.212 309 L C 2.520 179.359 176.870 -0.051 0.000 1.087 309 L CA 1.382 56.156 54.840 -0.110 0.000 0.757 309 L CB -0.404 41.559 42.059 -0.161 0.000 0.896 309 L HN 0.349 nan 8.230 nan 0.000 0.434 310 L N -0.697 120.501 121.223 -0.042 0.000 2.127 310 L HA -0.152 4.189 4.340 0.001 0.000 0.203 310 L C 2.614 179.378 176.870 -0.177 0.000 1.080 310 L CA 0.766 55.598 54.840 -0.013 0.000 0.768 310 L CB -0.295 41.833 42.059 0.115 0.000 0.924 310 L HN 0.187 nan 8.230 nan 0.000 0.444 311 K N -0.018 120.106 120.400 -0.458 0.000 1.987 311 K HA -0.201 4.120 4.320 0.001 0.000 0.216 311 K C 1.937 178.352 176.600 -0.308 0.000 1.051 311 K CA 2.475 58.322 56.287 -0.733 0.000 0.942 311 K CB -0.205 31.988 32.500 -0.512 0.000 0.722 311 K HN 0.140 nan 8.250 nan 0.000 0.444 312 T N -0.471 113.988 114.554 -0.157 0.000 2.639 312 T HA -0.122 4.229 4.350 0.001 0.000 0.261 312 T C 0.423 175.014 174.700 -0.182 0.000 1.053 312 T CA 1.326 63.347 62.100 -0.132 0.000 1.158 312 T CB -0.343 68.521 68.868 -0.006 0.000 0.863 312 T HN 0.214 nan 8.240 nan 0.000 0.413 313 Y N 2.685 122.886 120.300 -0.165 0.000 2.714 313 Y HA 0.312 4.862 4.550 0.001 0.000 0.333 313 Y C 0.654 176.502 175.900 -0.088 0.000 1.220 313 Y CA -0.864 57.154 58.100 -0.137 0.000 1.513 313 Y CB -0.061 38.283 38.460 -0.193 0.000 1.435 313 Y HN 0.044 nan 8.280 nan 0.000 0.489 314 K N 1.494 121.892 120.400 -0.004 0.000 2.586 314 K HA -0.024 4.297 4.320 0.001 0.000 0.280 314 K C 1.171 177.804 176.600 0.056 0.000 0.972 314 K CA 1.177 57.481 56.287 0.027 0.000 1.040 314 K CB 0.068 32.573 32.500 0.007 0.000 0.870 314 K HN 0.932 nan 8.250 nan 0.000 0.497 315 G N 3.892 112.732 108.800 0.067 0.000 2.283 315 G HA2 -0.291 3.670 3.960 0.001 0.000 0.280 315 G HA3 -0.291 3.670 3.960 0.001 0.000 0.280 315 G C 0.089 175.051 174.900 0.104 0.000 1.029 315 G CA 0.494 45.641 45.100 0.077 0.000 0.840 315 G HN 0.706 nan 8.290 nan 0.000 0.505 316 I N -0.137 120.487 120.570 0.091 0.000 2.575 316 I HA 0.364 4.535 4.170 0.001 0.000 0.285 316 I C -0.001 176.193 176.117 0.129 0.000 1.085 316 I CA -0.601 60.757 61.300 0.096 0.000 1.403 316 I CB 0.771 38.726 38.000 -0.075 0.000 1.409 316 I HN 0.089 nan 8.210 nan 0.000 0.557 317 D N 6.266 126.832 120.400 0.276 0.000 2.274 317 D HA 0.210 4.851 4.640 0.001 0.000 0.239 317 D C 0.749 177.157 176.300 0.180 0.000 1.104 317 D CA -0.090 54.035 54.000 0.209 0.000 0.840 317 D CB 1.287 42.249 40.800 0.270 0.000 1.100 317 D HN 0.481 nan 8.370 nan 0.000 0.477 318 L N 2.437 123.618 121.223 -0.069 0.000 2.313 318 L HA -0.029 4.312 4.340 0.001 0.000 0.214 318 L C 0.807 177.618 176.870 -0.098 0.000 1.119 318 L CA 0.576 55.269 54.840 -0.246 0.000 0.809 318 L CB 0.014 41.536 42.059 -0.894 0.000 0.933 318 L HN 0.369 nan 8.230 nan 0.000 0.449 319 D N -1.125 119.215 120.400 -0.101 0.000 2.392 319 D HA -0.104 4.537 4.640 0.001 0.000 0.228 319 D C 1.197 177.324 176.300 -0.288 0.000 1.003 319 D CA 0.863 54.798 54.000 -0.109 0.000 0.917 319 D CB 0.004 40.668 40.800 -0.227 0.000 0.890 319 D HN 0.303 nan 8.370 nan 0.000 0.532 320 H N -0.697 118.436 119.070 0.104 0.000 2.785 320 H HA 0.211 4.768 4.556 0.001 0.000 0.268 320 H C -0.113 175.297 175.328 0.136 0.000 1.153 320 H CA -0.576 55.466 56.048 -0.010 0.000 1.111 320 H CB 0.366 29.979 29.762 -0.248 0.000 1.633 320 H HN 0.070 nan 8.280 nan 0.000 0.576 321 L N 2.507 123.931 121.223 0.335 0.000 2.278 321 L HA 0.305 4.646 4.340 0.001 0.000 0.287 321 L C -0.429 176.560 176.870 0.197 0.000 1.072 321 L CA -0.414 54.627 54.840 0.335 0.000 0.819 321 L CB 0.548 42.767 42.059 0.267 0.000 1.176 321 L HN -0.244 nan 8.230 nan 0.000 0.435 322 K N 7.606 128.086 120.400 0.133 0.000 2.404 322 K HA 0.496 4.816 4.320 0.001 0.000 0.257 322 K C -0.760 175.818 176.600 -0.036 0.000 1.026 322 K CA -0.158 56.156 56.287 0.045 0.000 0.951 322 K CB 1.141 33.650 32.500 0.015 0.000 1.203 322 K HN 0.821 nan 8.250 nan 0.000 0.446 323 M N 1.065 120.642 119.600 -0.037 0.000 2.572 323 M HA 0.656 5.136 4.480 0.001 0.000 0.299 323 M C -0.889 175.353 176.300 -0.097 0.000 1.205 323 M CA -0.794 54.427 55.300 -0.132 0.000 0.876 323 M CB 2.085 34.606 32.600 -0.131 0.000 1.728 323 M HN 0.215 nan 8.290 nan 0.000 0.458 324 I N 2.075 122.535 120.570 -0.184 0.000 2.468 324 I HA 0.711 4.882 4.170 0.001 0.000 0.285 324 I C -0.609 175.461 176.117 -0.078 0.000 1.039 324 I CA -0.779 60.478 61.300 -0.071 0.000 1.074 324 I CB 1.953 39.941 38.000 -0.019 0.000 1.228 324 I HN 0.990 nan 8.210 nan 0.000 0.436 325 A N 5.436 128.306 122.820 0.083 0.000 2.294 325 A HA 0.718 5.039 4.320 0.001 0.000 0.330 325 A C -1.570 176.210 177.584 0.325 0.000 1.133 325 A CA -0.290 51.848 52.037 0.168 0.000 0.836 325 A CB 1.019 20.045 19.000 0.044 0.000 1.190 325 A HN 0.608 nan 8.150 nan 0.000 0.492 326 Y N 1.055 121.484 120.300 0.216 0.000 2.535 326 Y HA 0.475 5.026 4.550 0.002 0.000 0.341 326 Y C 0.869 176.728 175.900 -0.069 0.000 1.041 326 Y CA 0.211 58.338 58.100 0.046 0.000 1.307 326 Y CB 0.713 39.122 38.460 -0.086 0.000 1.095 326 Y HN 1.620 nan 8.280 nan 0.000 0.534 327 G N 4.151 113.017 108.800 0.111 0.000 2.591 327 G HA2 -0.408 3.553 3.960 0.001 0.000 0.298 327 G HA3 -0.408 3.553 3.960 0.001 0.000 0.298 327 G C 0.963 175.666 174.900 -0.328 0.000 1.195 327 G CA 0.761 45.807 45.100 -0.089 0.000 0.989 327 G HN 0.641 nan 8.290 nan 0.000 0.551 328 D N 1.154 121.219 120.400 -0.559 0.000 2.277 328 D HA 0.042 4.683 4.640 0.001 0.000 0.208 328 D C 0.691 176.893 176.300 -0.163 0.000 0.962 328 D CA 0.942 54.480 54.000 -0.771 0.000 0.865 328 D CB -0.361 39.805 40.800 -1.057 0.000 0.939 328 D HN 0.370 nan 8.370 nan 0.000 0.510 329 D N 0.467 120.833 120.400 -0.055 0.000 2.423 329 D HA 0.227 4.867 4.640 0.001 0.000 0.238 329 D C -0.700 175.714 176.300 0.191 0.000 1.142 329 D CA 0.018 54.073 54.000 0.092 0.000 0.884 329 D CB 1.617 42.490 40.800 0.123 0.000 1.199 329 D HN -0.079 nan 8.370 nan 0.000 0.438 330 V N 4.595 124.548 119.914 0.066 0.000 3.098 330 V HA 0.422 4.543 4.120 0.001 0.000 0.294 330 V C -1.523 174.256 176.094 -0.525 0.000 1.351 330 V CA -0.866 61.304 62.300 -0.217 0.000 0.999 330 V CB 2.118 33.761 31.823 -0.300 0.000 1.104 330 V HN 0.546 nan 8.190 nan 0.000 0.438 331 I N 5.335 125.408 120.570 -0.828 0.000 2.436 331 I HA 0.897 5.067 4.170 0.001 0.000 0.289 331 I C -0.282 175.417 176.117 -0.696 0.000 1.010 331 I CA -0.273 60.556 61.300 -0.785 0.000 1.098 331 I CB 1.599 39.055 38.000 -0.906 0.000 1.266 331 I HN 0.946 nan 8.210 nan 0.000 0.434 332 A N 5.211 127.554 122.820 -0.795 0.000 2.413 332 A HA 0.882 5.203 4.320 0.001 0.000 0.307 332 A C -0.757 176.340 177.584 -0.812 0.000 1.087 332 A CA -0.286 51.221 52.037 -0.883 0.000 0.750 332 A CB 1.909 20.102 19.000 -1.346 0.000 1.296 332 A HN 0.764 nan 8.150 nan 0.000 0.423 333 S N -0.074 115.392 115.700 -0.390 0.000 2.732 333 S HA 0.904 5.374 4.470 0.001 0.000 0.293 333 S C -1.109 173.643 174.600 0.254 0.000 1.159 333 S CA -0.607 57.536 58.200 -0.095 0.000 0.847 333 S CB 1.511 64.624 63.200 -0.146 0.000 1.169 333 S HN 1.984 nan 8.310 nan 0.000 0.501 334 Y N -0.366 119.968 120.300 0.058 0.000 2.575 334 Y HA 0.362 4.913 4.550 0.001 0.000 0.346 334 Y C -2.931 172.940 175.900 -0.048 0.000 1.260 334 Y CA -1.064 57.063 58.100 0.045 0.000 1.317 334 Y CB 1.301 39.807 38.460 0.078 0.000 1.352 334 Y HN 0.506 nan 8.280 nan 0.000 0.492 335 P HA 0.001 nan 4.420 nan 0.000 0.223 335 P C -0.478 176.494 177.300 -0.547 0.000 1.151 335 P CA 1.594 64.330 63.100 -0.606 0.000 0.787 335 P CB 0.247 31.441 31.700 -0.844 0.000 0.788 336 H N -1.140 117.898 119.070 -0.053 0.000 2.670 336 H HA 0.261 4.817 4.556 0.001 0.000 0.361 336 H C 0.142 175.581 175.328 0.185 0.000 1.169 336 H CA -0.808 55.297 56.048 0.097 0.000 1.198 336 H CB 1.256 31.100 29.762 0.135 0.000 1.700 336 H HN -0.024 nan 8.280 nan 0.000 0.542 337 E N 1.747 122.076 120.200 0.216 0.000 2.404 337 E HA 0.220 4.571 4.350 0.001 0.000 0.261 337 E C -0.682 175.904 176.600 -0.023 0.000 1.074 337 E CA -0.293 56.168 56.400 0.100 0.000 0.917 337 E CB 1.000 30.747 29.700 0.077 0.000 0.965 337 E HN 0.411 nan 8.360 nan 0.000 0.433 338 V N 1.357 121.156 119.914 -0.192 0.000 2.789 338 V HA 0.403 4.524 4.120 0.001 0.000 0.311 338 V C -0.764 175.188 176.094 -0.237 0.000 1.073 338 V CA -1.031 60.974 62.300 -0.492 0.000 0.921 338 V CB 1.919 33.049 31.823 -1.154 0.000 1.009 338 V HN 0.624 nan 8.190 nan 0.000 0.426 339 D N 3.905 124.285 120.400 -0.033 0.000 2.249 339 D HA 0.628 5.268 4.640 0.001 0.000 0.246 339 D C 0.751 177.038 176.300 -0.022 0.000 1.114 339 D CA 0.252 54.265 54.000 0.022 0.000 0.854 339 D CB 2.099 42.931 40.800 0.055 0.000 1.132 339 D HN 0.880 nan 8.370 nan 0.000 0.461 340 A N 2.862 125.730 122.820 0.079 0.000 2.132 340 A HA -0.026 4.295 4.320 0.001 0.000 0.213 340 A C 1.994 179.567 177.584 -0.019 0.000 1.154 340 A CA 0.973 53.092 52.037 0.137 0.000 0.753 340 A CB -0.365 18.889 19.000 0.423 0.000 0.826 340 A HN 0.607 nan 8.150 nan 0.000 0.469 341 S N 0.634 116.165 115.700 -0.281 0.000 2.382 341 S HA -0.147 4.323 4.470 0.001 0.000 0.228 341 S C 1.820 176.155 174.600 -0.442 0.000 1.027 341 S CA 1.449 59.137 58.200 -0.854 0.000 0.991 341 S CB -0.738 62.074 63.200 -0.647 0.000 0.823 341 S HN 0.481 nan 8.310 nan 0.000 0.469 342 L N 0.855 121.936 121.223 -0.237 0.000 1.988 342 L HA -0.005 4.336 4.340 0.001 0.000 0.207 342 L C 2.699 179.477 176.870 -0.154 0.000 1.071 342 L CA 1.206 55.946 54.840 -0.167 0.000 0.744 342 L CB -0.884 41.116 42.059 -0.099 0.000 0.893 342 L HN 0.269 nan 8.230 nan 0.000 0.433 343 L N 0.173 121.312 121.223 -0.141 0.000 2.081 343 L HA -0.236 4.105 4.340 0.001 0.000 0.212 343 L C 2.806 179.544 176.870 -0.220 0.000 1.080 343 L CA 1.263 55.998 54.840 -0.174 0.000 0.754 343 L CB -0.772 41.143 42.059 -0.240 0.000 0.893 343 L HN 0.286 nan 8.230 nan 0.000 0.433 344 A N -0.798 121.872 122.820 -0.249 0.000 2.014 344 A HA -0.208 4.113 4.320 0.001 0.000 0.218 344 A C 2.172 179.675 177.584 -0.135 0.000 1.163 344 A CA 1.392 53.305 52.037 -0.207 0.000 0.652 344 A CB -0.311 18.609 19.000 -0.133 0.000 0.808 344 A HN 0.411 nan 8.150 nan 0.000 0.449 345 Q N 0.841 120.546 119.800 -0.158 0.000 1.942 345 Q HA -0.130 4.211 4.340 0.001 0.000 0.203 345 Q C 2.125 178.085 176.000 -0.068 0.000 0.987 345 Q CA 2.703 58.434 55.803 -0.119 0.000 0.844 345 Q CB -0.727 27.925 28.738 -0.142 0.000 0.911 345 Q HN 0.501 nan 8.270 nan 0.000 0.423 346 S N 0.149 115.814 115.700 -0.059 0.000 2.407 346 S HA -0.200 4.271 4.470 0.001 0.000 0.235 346 S C 1.913 176.576 174.600 0.104 0.000 1.036 346 S CA 1.077 59.276 58.200 -0.001 0.000 1.013 346 S CB -1.202 62.007 63.200 0.015 0.000 0.820 346 S HN 0.683 nan 8.310 nan 0.000 0.476 347 G N 2.780 111.631 108.800 0.084 0.000 2.505 347 G HA2 -0.297 3.664 3.960 0.001 0.000 0.220 347 G HA3 -0.297 3.664 3.960 0.001 0.000 0.220 347 G C 1.326 176.332 174.900 0.176 0.000 1.145 347 G CA 1.112 46.307 45.100 0.159 0.000 0.761 347 G HN 0.601 nan 8.290 nan 0.000 0.571 348 K N 0.456 120.898 120.400 0.071 0.000 2.211 348 K HA -0.096 4.225 4.320 0.001 0.000 0.204 348 K C 1.800 178.417 176.600 0.029 0.000 1.047 348 K CA 1.305 57.622 56.287 0.051 0.000 0.935 348 K CB -0.212 32.294 32.500 0.009 0.000 0.728 348 K HN 0.145 nan 8.250 nan 0.000 0.452 349 D N 0.233 120.607 120.400 -0.042 0.000 2.263 349 D HA -0.116 4.525 4.640 0.001 0.000 0.208 349 D C 0.772 176.920 176.300 -0.253 0.000 0.971 349 D CA 1.114 54.989 54.000 -0.209 0.000 0.867 349 D CB -0.041 40.522 40.800 -0.394 0.000 0.929 349 D HN 0.355 nan 8.370 nan 0.000 0.492 350 Y N -1.199 119.174 120.300 0.122 0.000 2.584 350 Y HA 0.373 4.924 4.550 0.001 0.000 0.254 350 Y C 1.697 177.728 175.900 0.218 0.000 1.177 350 Y CA -0.053 58.163 58.100 0.194 0.000 1.216 350 Y CB 0.798 39.485 38.460 0.379 0.000 1.172 350 Y HN -0.035 nan 8.280 nan 0.000 0.529 351 G N 0.605 109.552 108.800 0.245 0.000 2.143 351 G HA2 -0.273 3.688 3.960 0.001 0.000 0.249 351 G HA3 -0.273 3.688 3.960 0.001 0.000 0.249 351 G C -0.102 174.908 174.900 0.184 0.000 0.981 351 G CA -0.141 45.071 45.100 0.187 0.000 0.665 351 G HN 0.257 nan 8.290 nan 0.000 0.528 352 L N 1.169 122.526 121.223 0.222 0.000 2.292 352 L HA 0.499 4.839 4.340 0.001 0.000 0.284 352 L C 0.329 177.306 176.870 0.177 0.000 1.065 352 L CA -0.315 54.648 54.840 0.206 0.000 0.806 352 L CB 1.564 43.770 42.059 0.246 0.000 1.175 352 L HN 0.063 nan 8.230 nan 0.000 0.431 353 T N 4.493 119.167 114.554 0.200 0.000 3.145 353 T HA 0.445 4.796 4.350 0.001 0.000 0.362 353 T C 0.045 174.849 174.700 0.174 0.000 1.340 353 T CA -0.331 61.867 62.100 0.163 0.000 1.069 353 T CB -0.033 68.922 68.868 0.144 0.000 1.129 353 T HN 0.378 nan 8.240 nan 0.000 0.585 354 M N 3.423 123.085 119.600 0.104 0.000 2.080 354 M HA 0.337 4.818 4.480 0.001 0.000 0.350 354 M C 0.838 177.246 176.300 0.180 0.000 1.173 354 M CA -0.636 54.693 55.300 0.050 0.000 1.052 354 M CB 0.868 33.346 32.600 -0.203 0.000 1.577 354 M HN 0.483 nan 8.290 nan 0.000 0.455 355 T N 0.687 115.328 114.554 0.145 0.000 2.937 355 T HA 0.754 5.105 4.350 0.001 0.000 0.283 355 T C -2.778 171.777 174.700 -0.241 0.000 1.012 355 T CA -2.123 60.032 62.100 0.091 0.000 0.997 355 T CB 1.528 70.426 68.868 0.050 0.000 1.136 355 T HN 0.331 nan 8.240 nan 0.000 0.551 356 P HA 0.360 nan 4.420 nan 0.000 0.274 356 P C -0.574 176.501 177.300 -0.375 0.000 1.237 356 P CA -0.438 62.079 63.100 -0.972 0.000 0.793 356 P CB 0.245 31.325 31.700 -1.034 0.000 0.977 357 A N 1.949 124.601 122.820 -0.280 0.000 2.524 357 A HA 0.166 4.486 4.320 0.001 0.000 0.250 357 A C 0.275 177.787 177.584 -0.121 0.000 1.078 357 A CA 0.299 52.237 52.037 -0.165 0.000 0.761 357 A CB -1.145 17.768 19.000 -0.146 0.000 1.012 357 A HN 0.662 nan 8.150 nan 0.000 0.500 358 D N 0.930 121.274 120.400 -0.093 0.000 2.835 358 D HA -0.167 4.474 4.640 0.001 0.000 0.230 358 D C 0.371 176.649 176.300 -0.037 0.000 1.130 358 D CA 1.485 55.451 54.000 -0.057 0.000 0.738 358 D CB -1.829 38.946 40.800 -0.043 0.000 1.090 358 D HN 0.909 nan 8.370 nan 0.000 0.433 359 K N -2.066 118.304 120.400 -0.050 0.000 3.349 359 K HA -0.234 4.087 4.320 0.001 0.000 0.310 359 K C -0.104 176.479 176.600 -0.028 0.000 1.267 359 K CA 1.231 57.500 56.287 -0.031 0.000 0.920 359 K CB -1.440 31.056 32.500 -0.007 0.000 1.240 359 K HN 0.457 nan 8.250 nan 0.000 0.453 360 S N 0.006 115.678 115.700 -0.046 0.000 2.554 360 S HA 0.122 4.593 4.470 0.001 0.000 0.290 360 S C 1.636 176.216 174.600 -0.033 0.000 1.309 360 S CA 0.075 58.254 58.200 -0.034 0.000 1.047 360 S CB 1.213 64.381 63.200 -0.053 0.000 0.828 360 S HN 0.419 nan 8.310 nan 0.000 0.509 361 A N 1.867 124.689 122.820 0.003 0.000 2.067 361 A HA 0.179 4.499 4.320 0.001 0.000 0.217 361 A C 1.279 178.898 177.584 0.058 0.000 1.156 361 A CA 1.061 53.114 52.037 0.028 0.000 0.683 361 A CB -0.359 18.662 19.000 0.035 0.000 0.808 361 A HN 0.868 nan 8.150 nan 0.000 0.455 362 T N -4.676 109.911 114.554 0.054 0.000 2.907 362 T HA 0.614 4.965 4.350 0.001 0.000 0.292 362 T C -0.628 174.142 174.700 0.116 0.000 1.043 362 T CA -0.678 61.500 62.100 0.130 0.000 1.003 362 T CB 0.911 69.843 68.868 0.107 0.000 1.084 362 T HN 0.054 nan 8.240 nan 0.000 0.483 363 F N 1.883 121.844 119.950 0.020 0.000 2.600 363 F HA 0.330 4.857 4.527 0.001 0.000 0.345 363 F C 1.105 176.920 175.800 0.024 0.000 1.271 363 F CA -0.462 57.552 58.000 0.024 0.000 1.138 363 F CB -0.060 38.949 39.000 0.016 0.000 1.449 363 F HN 0.608 nan 8.300 nan 0.000 0.645 364 E N 0.761 121.018 120.200 0.095 0.000 2.283 364 E HA 0.229 4.580 4.350 0.001 0.000 0.267 364 E C 0.018 176.656 176.600 0.064 0.000 1.045 364 E CA -0.609 55.837 56.400 0.077 0.000 0.884 364 E CB 0.939 30.667 29.700 0.047 0.000 1.106 364 E HN 0.234 nan 8.360 nan 0.000 0.408 365 T N 1.256 115.843 114.554 0.056 0.000 2.866 365 T HA 0.043 4.394 4.350 0.001 0.000 0.293 365 T C -0.191 174.513 174.700 0.007 0.000 1.005 365 T CA -0.192 61.931 62.100 0.038 0.000 1.162 365 T CB 0.103 68.988 68.868 0.029 0.000 0.968 365 T HN 0.096 nan 8.240 nan 0.000 0.530 366 V N 5.427 125.330 119.914 -0.019 0.000 2.530 366 V HA 0.458 4.579 4.120 0.001 0.000 0.282 366 V C 0.839 176.842 176.094 -0.152 0.000 1.048 366 V CA -0.459 61.789 62.300 -0.086 0.000 0.997 366 V CB 0.926 32.670 31.823 -0.130 0.000 0.987 366 V HN 1.136 nan 8.190 nan 0.000 0.477 367 T N -0.060 114.409 114.554 -0.141 0.000 2.906 367 T HA 0.355 4.706 4.350 0.001 0.000 0.295 367 T C 0.283 174.897 174.700 -0.144 0.000 1.075 367 T CA -0.721 61.288 62.100 -0.152 0.000 1.005 367 T CB 1.089 69.952 68.868 -0.007 0.000 1.136 367 T HN 0.502 nan 8.240 nan 0.000 0.498 368 W N 0.345 121.616 121.300 -0.049 0.000 2.361 368 W HA -0.069 4.592 4.660 0.001 0.000 0.270 368 W C 2.294 178.858 176.519 0.074 0.000 1.210 368 W CA 0.822 58.132 57.345 -0.059 0.000 1.174 368 W CB 0.196 29.621 29.460 -0.057 0.000 1.131 368 W HN 0.810 nan 8.180 nan 0.000 0.575 369 E N 0.603 120.975 120.200 0.285 0.000 2.340 369 E HA -0.126 4.225 4.350 0.001 0.000 0.194 369 E C 1.521 178.305 176.600 0.308 0.000 0.996 369 E CA 0.999 57.559 56.400 0.267 0.000 0.869 369 E CB -0.109 29.694 29.700 0.171 0.000 0.835 369 E HN 0.377 nan 8.360 nan 0.000 0.493 370 N N 0.270 119.121 118.700 0.251 0.000 2.171 370 N HA -0.023 4.718 4.740 0.001 0.000 0.212 370 N C 0.226 175.856 175.510 0.201 0.000 1.184 370 N CA -0.166 53.069 53.050 0.309 0.000 0.888 370 N CB 0.180 38.775 38.487 0.179 0.000 1.038 370 N HN -0.085 nan 8.380 nan 0.000 0.517 371 V N 2.173 122.154 119.914 0.112 0.000 2.637 371 V HA 0.430 4.551 4.120 0.001 0.000 0.296 371 V C -0.008 176.114 176.094 0.047 0.000 1.046 371 V CA 0.253 62.531 62.300 -0.036 0.000 1.066 371 V CB 0.718 32.385 31.823 -0.260 0.000 0.968 371 V HN 0.573 nan 8.190 nan 0.000 0.483 372 T N 4.282 118.797 114.554 -0.065 0.000 2.907 372 T HA 0.718 5.069 4.350 0.001 0.000 0.292 372 T C -1.104 173.738 174.700 0.237 0.000 1.043 372 T CA -0.620 61.465 62.100 -0.026 0.000 1.003 372 T CB 1.758 70.363 68.868 -0.439 0.000 1.084 372 T HN 0.649 nan 8.240 nan 0.000 0.483 373 F N 3.107 123.154 119.950 0.161 0.000 2.596 373 F HA 0.538 5.066 4.527 0.001 0.000 0.311 373 F C 0.055 176.003 175.800 0.247 0.000 1.116 373 F CA -2.308 55.801 58.000 0.181 0.000 0.957 373 F CB 1.194 40.327 39.000 0.221 0.000 1.250 373 F HN 0.803 nan 8.300 nan 0.000 0.444 374 L N 5.364 126.464 121.223 -0.205 0.000 3.839 374 L HA -0.378 3.963 4.340 0.001 0.000 0.416 374 L C 0.900 177.665 176.870 -0.175 0.000 1.195 374 L CA 1.072 55.738 54.840 -0.290 0.000 0.946 374 L CB -1.544 40.320 42.059 -0.325 0.000 1.891 374 L HN 0.919 nan 8.230 nan 0.000 0.963 375 K N -2.000 118.333 120.400 -0.112 0.000 3.472 375 K HA -0.191 4.130 4.320 0.001 0.000 0.315 375 K C 0.353 176.879 176.600 -0.123 0.000 1.320 375 K CA 1.715 57.928 56.287 -0.122 0.000 0.962 375 K CB -0.486 31.937 32.500 -0.129 0.000 1.251 375 K HN 0.557 nan 8.250 nan 0.000 0.443 376 R N -0.162 120.281 120.500 -0.095 0.000 2.589 376 R HA 0.475 4.816 4.340 0.001 0.000 0.293 376 R C -0.061 176.229 176.300 -0.017 0.000 0.963 376 R CA -0.747 55.294 56.100 -0.098 0.000 0.905 376 R CB 0.728 30.811 30.300 -0.361 0.000 1.144 376 R HN -0.131 nan 8.270 nan 0.000 0.459 377 F N 0.980 120.962 119.950 0.054 0.000 2.352 377 F HA 0.389 4.917 4.527 0.001 0.000 0.304 377 F C 0.193 176.106 175.800 0.188 0.000 1.215 377 F CA -0.034 58.090 58.000 0.207 0.000 1.121 377 F CB 0.560 39.649 39.000 0.148 0.000 1.329 377 F HN 0.248 nan 8.300 nan 0.000 0.528 378 F N 0.986 121.274 119.950 0.563 0.000 2.493 378 F HA 0.621 5.149 4.527 0.001 0.000 0.329 378 F C -0.407 175.583 175.800 0.316 0.000 1.126 378 F CA -0.903 57.382 58.000 0.475 0.000 0.937 378 F CB 1.389 40.611 39.000 0.370 0.000 1.146 378 F HN 0.025 nan 8.300 nan 0.000 0.442 379 R N 2.142 122.870 120.500 0.380 0.000 2.512 379 R HA 0.569 4.910 4.340 0.001 0.000 0.291 379 R C -0.764 175.693 176.300 0.262 0.000 1.097 379 R CA -1.081 55.173 56.100 0.257 0.000 0.940 379 R CB 1.678 32.073 30.300 0.159 0.000 1.198 379 R HN 0.744 nan 8.270 nan 0.000 0.429 380 A N 2.026 124.958 122.820 0.188 0.000 2.483 380 A HA 0.098 4.419 4.320 0.001 0.000 0.238 380 A C 0.122 177.859 177.584 0.254 0.000 1.070 380 A CA -0.034 52.102 52.037 0.164 0.000 0.770 380 A CB 0.141 19.186 19.000 0.074 0.000 1.008 380 A HN 0.630 nan 8.150 nan 0.000 0.497 381 D N 0.425 121.005 120.400 0.299 0.000 2.399 381 D HA 0.116 4.757 4.640 0.001 0.000 0.241 381 D C 1.112 177.559 176.300 0.245 0.000 1.133 381 D CA 0.343 54.600 54.000 0.429 0.000 0.890 381 D CB 0.605 41.727 40.800 0.538 0.000 1.201 381 D HN 0.609 nan 8.370 nan 0.000 0.432 382 E N 1.369 121.703 120.200 0.223 0.000 2.110 382 E HA -0.165 4.186 4.350 0.001 0.000 0.193 382 E C 1.352 177.992 176.600 0.067 0.000 0.988 382 E CA 1.040 57.508 56.400 0.114 0.000 0.804 382 E CB 0.273 30.020 29.700 0.079 0.000 0.745 382 E HN 0.419 nan 8.360 nan 0.000 0.458 383 K N -0.481 119.978 120.400 0.099 0.000 2.128 383 K HA -0.001 4.320 4.320 0.001 0.000 0.202 383 K C 0.033 176.382 176.600 -0.418 0.000 1.050 383 K CA 0.610 56.793 56.287 -0.173 0.000 0.966 383 K CB 0.327 32.710 32.500 -0.196 0.000 0.759 383 K HN 0.072 nan 8.250 nan 0.000 0.454 384 Y N 0.708 120.991 120.300 -0.028 0.000 2.919 384 Y HA 0.230 4.781 4.550 0.001 0.000 0.341 384 Y C -2.125 173.510 175.900 -0.441 0.000 1.045 384 Y CA -2.579 55.317 58.100 -0.340 0.000 1.218 384 Y CB 0.985 39.039 38.460 -0.676 0.000 1.137 384 Y HN 0.055 nan 8.280 nan 0.000 0.577 385 P HA -0.203 nan 4.420 nan 0.000 0.221 385 P C 1.120 178.421 177.300 0.002 0.000 1.145 385 P CA 1.384 64.497 63.100 0.020 0.000 0.795 385 P CB -0.201 31.549 31.700 0.083 0.000 0.775 386 F N -2.200 117.738 119.950 -0.019 0.000 2.748 386 F HA 0.158 4.686 4.527 0.001 0.000 0.299 386 F C 0.619 176.321 175.800 -0.163 0.000 1.154 386 F CA -0.238 57.705 58.000 -0.095 0.000 1.446 386 F CB -1.075 37.859 39.000 -0.110 0.000 1.112 386 F HN -0.266 nan 8.300 nan 0.000 0.584 387 L N 3.221 124.093 121.223 -0.586 0.000 2.264 387 L HA 0.359 4.700 4.340 0.001 0.000 0.289 387 L C -0.408 176.408 176.870 -0.090 0.000 1.044 387 L CA -0.804 53.703 54.840 -0.555 0.000 0.807 387 L CB 1.314 42.752 42.059 -1.034 0.000 1.192 387 L HN -0.018 nan 8.230 nan 0.000 0.425 388 I N 2.710 123.334 120.570 0.089 0.000 2.336 388 I HA 0.269 4.440 4.170 0.001 0.000 0.292 388 I C 0.358 176.702 176.117 0.378 0.000 0.991 388 I CA -0.533 60.922 61.300 0.260 0.000 1.227 388 I CB 1.013 39.178 38.000 0.275 0.000 1.366 388 I HN 0.454 nan 8.210 nan 0.000 0.466 389 H N 6.817 126.034 119.070 0.245 0.000 2.690 389 H HA 0.202 4.759 4.556 0.002 0.000 0.314 389 H C -2.090 173.027 175.328 -0.352 0.000 1.069 389 H CA -1.523 54.368 56.048 -0.260 0.000 1.436 389 H CB 0.852 30.377 29.762 -0.396 0.000 1.462 389 H HN 0.186 nan 8.280 nan 0.000 0.511 390 P HA -0.042 nan 4.420 nan 0.000 0.273 390 P C -0.158 176.731 177.300 -0.685 0.000 1.319 390 P CA -0.111 62.324 63.100 -1.107 0.000 0.885 390 P CB 0.164 31.024 31.700 -1.400 0.000 1.015 391 V N 4.027 123.763 119.914 -0.298 0.000 2.311 391 V HA 0.480 4.601 4.120 0.001 0.000 0.275 391 V C -0.273 175.805 176.094 -0.026 0.000 1.022 391 V CA -0.884 61.316 62.300 -0.167 0.000 0.830 391 V CB 0.773 32.528 31.823 -0.113 0.000 1.012 391 V HN 0.387 nan 8.190 nan 0.000 0.452 392 M N 8.800 128.322 119.600 -0.130 0.000 2.180 392 M HA 0.584 5.065 4.480 0.001 0.000 0.358 392 M C -2.448 173.801 176.300 -0.085 0.000 1.233 392 M CA -1.432 53.819 55.300 -0.082 0.000 1.114 392 M CB 1.482 33.986 32.600 -0.161 0.000 1.594 392 M HN 0.447 nan 8.290 nan 0.000 0.467 393 P HA 0.032 nan 4.420 nan 0.000 0.269 393 P C 0.374 177.548 177.300 -0.211 0.000 1.209 393 P CA -0.227 62.822 63.100 -0.085 0.000 0.776 393 P CB 0.523 32.227 31.700 0.008 0.000 0.876 394 M N 1.923 121.344 119.600 -0.299 0.000 2.279 394 M HA -0.141 4.339 4.480 0.001 0.000 0.264 394 M C 1.806 177.694 176.300 -0.687 0.000 1.062 394 M CA 1.594 56.543 55.300 -0.586 0.000 1.099 394 M CB -1.220 31.041 32.600 -0.566 0.000 1.394 394 M HN 0.455 nan 8.290 nan 0.000 0.426 395 K N 0.892 121.108 120.400 -0.306 0.000 2.107 395 K HA -0.223 4.098 4.320 0.001 0.000 0.211 395 K C 1.506 178.037 176.600 -0.115 0.000 1.049 395 K CA 1.902 58.117 56.287 -0.120 0.000 0.927 395 K CB 0.080 32.561 32.500 -0.031 0.000 0.714 395 K HN 0.493 nan 8.250 nan 0.000 0.452 396 E N -0.316 119.794 120.200 -0.150 0.000 2.340 396 E HA -0.037 4.314 4.350 0.001 0.000 0.194 396 E C 2.125 178.654 176.600 -0.119 0.000 0.996 396 E CA 0.406 56.749 56.400 -0.094 0.000 0.869 396 E CB 0.061 29.711 29.700 -0.084 0.000 0.835 396 E HN 0.393 nan 8.360 nan 0.000 0.493 397 I N 1.215 121.640 120.570 -0.242 0.000 2.315 397 I HA -0.222 3.949 4.170 0.001 0.000 0.248 397 I C 2.154 178.142 176.117 -0.214 0.000 1.117 397 I CA 1.245 62.384 61.300 -0.269 0.000 1.404 397 I CB -0.371 37.349 38.000 -0.467 0.000 1.071 397 I HN 0.144 nan 8.210 nan 0.000 0.419 398 H N 0.306 119.244 119.070 -0.220 0.000 2.389 398 H HA -0.106 4.451 4.556 0.001 0.000 0.299 398 H C 2.113 177.391 175.328 -0.083 0.000 1.081 398 H CA 0.758 56.665 56.048 -0.236 0.000 1.345 398 H CB 0.199 29.909 29.762 -0.086 0.000 1.393 398 H HN 0.266 nan 8.280 nan 0.000 0.520 399 E N 0.499 120.762 120.200 0.106 0.000 2.051 399 E HA -0.175 4.176 4.350 0.001 0.000 0.192 399 E C 2.426 179.157 176.600 0.218 0.000 0.991 399 E CA 1.043 57.535 56.400 0.154 0.000 0.799 399 E CB -0.404 29.354 29.700 0.096 0.000 0.748 399 E HN 0.276 nan 8.360 nan 0.000 0.449 400 S N 0.758 116.543 115.700 0.142 0.000 2.382 400 S HA -0.122 4.349 4.470 0.001 0.000 0.228 400 S C 2.025 176.817 174.600 0.319 0.000 1.027 400 S CA 0.784 59.121 58.200 0.228 0.000 0.991 400 S CB -0.144 63.173 63.200 0.196 0.000 0.823 400 S HN 0.271 nan 8.310 nan 0.000 0.469 401 I N 0.779 121.411 120.570 0.103 0.000 2.617 401 I HA 0.058 4.229 4.170 0.001 0.000 0.256 401 I C 2.085 178.261 176.117 0.099 0.000 1.167 401 I CA 0.485 61.740 61.300 -0.075 0.000 1.469 401 I CB -0.094 37.729 38.000 -0.296 0.000 1.098 401 I HN 0.224 nan 8.210 nan 0.000 0.436 402 R N -0.046 120.531 120.500 0.128 0.000 2.377 402 R HA -0.098 4.243 4.340 0.001 0.000 0.207 402 R C -0.786 175.383 176.300 -0.219 0.000 1.075 402 R CA 0.723 56.790 56.100 -0.055 0.000 1.035 402 R CB -0.182 29.970 30.300 -0.246 0.000 0.857 402 R HN 0.272 nan 8.270 nan 0.000 0.475 403 W N -1.724 119.699 121.300 0.205 0.000 3.083 403 W HA 0.383 5.044 4.660 0.001 0.000 0.333 403 W C -0.229 176.432 176.519 0.237 0.000 1.217 403 W CA -0.706 56.758 57.345 0.198 0.000 1.170 403 W CB 1.367 30.916 29.460 0.149 0.000 1.437 403 W HN -0.368 nan 8.180 nan 0.000 0.557 404 T N -0.144 114.665 114.554 0.424 0.000 2.894 404 T HA 0.375 4.726 4.350 0.001 0.000 0.309 404 T C -0.212 174.613 174.700 0.208 0.000 1.208 404 T CA -0.675 61.608 62.100 0.306 0.000 1.016 404 T CB 1.707 70.727 68.868 0.254 0.000 1.192 404 T HN 0.540 nan 8.240 nan 0.000 0.491 405 K N 1.005 121.480 120.400 0.126 0.000 2.358 405 K HA 0.231 4.552 4.320 0.001 0.000 0.200 405 K C -0.695 175.943 176.600 0.064 0.000 1.030 405 K CA -0.017 56.316 56.287 0.077 0.000 1.097 405 K CB 0.438 32.954 32.500 0.027 0.000 0.862 405 K HN 0.558 nan 8.250 nan 0.000 0.534 406 D N -0.512 119.935 120.400 0.078 0.000 2.192 406 D HA 0.078 4.719 4.640 0.001 0.000 0.200 406 D C -2.512 173.835 176.300 0.078 0.000 1.281 406 D CA -1.146 52.892 54.000 0.063 0.000 0.895 406 D CB 1.369 42.194 40.800 0.042 0.000 1.643 406 D HN -0.277 nan 8.370 nan 0.000 0.510 407 P HA -0.181 nan 4.420 nan 0.000 0.218 407 P C 1.341 178.683 177.300 0.071 0.000 1.146 407 P CA 0.793 63.938 63.100 0.076 0.000 0.820 407 P CB 0.134 31.860 31.700 0.043 0.000 0.778 408 R N -0.075 120.458 120.500 0.055 0.000 2.261 408 R HA -0.132 4.209 4.340 0.001 0.000 0.236 408 R C 0.737 177.073 176.300 0.060 0.000 1.141 408 R CA 1.247 57.376 56.100 0.048 0.000 1.001 408 R CB -0.524 29.796 30.300 0.035 0.000 0.866 408 R HN 0.200 nan 8.270 nan 0.000 0.468 409 N N -0.184 118.564 118.700 0.080 0.000 2.268 409 N HA -0.004 4.737 4.740 0.001 0.000 0.204 409 N C 0.641 176.236 175.510 0.143 0.000 1.124 409 N CA 0.252 53.358 53.050 0.094 0.000 0.838 409 N CB 0.648 39.185 38.487 0.083 0.000 0.994 409 N HN 0.130 nan 8.380 nan 0.000 0.489 410 T N 1.018 115.659 114.554 0.145 0.000 2.720 410 T HA -0.200 4.151 4.350 0.001 0.000 0.268 410 T C 1.937 176.722 174.700 0.142 0.000 1.037 410 T CA 1.414 63.622 62.100 0.179 0.000 1.144 410 T CB 0.045 69.025 68.868 0.187 0.000 0.864 410 T HN 0.225 nan 8.240 nan 0.000 0.444 411 Q N 1.250 121.113 119.800 0.105 0.000 2.030 411 Q HA -0.152 4.189 4.340 0.001 0.000 0.204 411 Q C 1.841 177.887 176.000 0.076 0.000 0.986 411 Q CA 1.993 57.841 55.803 0.075 0.000 0.843 411 Q CB -0.519 28.253 28.738 0.056 0.000 0.904 411 Q HN 0.389 nan 8.270 nan 0.000 0.420 412 D N -1.086 119.366 120.400 0.087 0.000 2.084 412 D HA -0.176 4.465 4.640 0.001 0.000 0.194 412 D C 1.753 178.134 176.300 0.135 0.000 0.990 412 D CA 1.594 55.644 54.000 0.084 0.000 0.826 412 D CB -0.562 40.277 40.800 0.065 0.000 0.971 412 D HN 0.555 nan 8.370 nan 0.000 0.453 413 H N 0.185 119.276 119.070 0.034 0.000 2.251 413 H HA -0.136 4.421 4.556 0.001 0.000 0.294 413 H C 2.038 177.381 175.328 0.025 0.000 1.078 413 H CA 1.660 57.729 56.048 0.035 0.000 1.246 413 H CB 0.003 29.800 29.762 0.058 0.000 1.358 413 H HN -0.075 nan 8.280 nan 0.000 0.488 414 V N 1.090 121.021 119.914 0.028 0.000 2.343 414 V HA -0.256 3.865 4.120 0.001 0.000 0.247 414 V C 2.672 178.771 176.094 0.008 0.000 1.051 414 V CA 2.119 64.350 62.300 -0.115 0.000 1.036 414 V CB -0.667 31.018 31.823 -0.230 0.000 0.654 414 V HN 0.416 nan 8.190 nan 0.000 0.451 415 R N -0.046 120.480 120.500 0.042 0.000 2.073 415 R HA -0.163 4.178 4.340 0.001 0.000 0.234 415 R C 2.604 178.957 176.300 0.088 0.000 1.134 415 R CA 1.825 57.963 56.100 0.063 0.000 0.952 415 R CB -0.374 29.953 30.300 0.045 0.000 0.850 415 R HN 0.492 nan 8.270 nan 0.000 0.433 416 S N 1.038 116.792 115.700 0.090 0.000 2.380 416 S HA -0.163 4.308 4.470 0.001 0.000 0.229 416 S C 1.854 176.511 174.600 0.094 0.000 1.043 416 S CA 1.382 59.632 58.200 0.083 0.000 1.038 416 S CB -0.228 63.024 63.200 0.086 0.000 0.872 416 S HN 0.311 nan 8.310 nan 0.000 0.456 417 L N 0.447 121.746 121.223 0.126 0.000 2.131 417 L HA -0.156 4.185 4.340 0.001 0.000 0.210 417 L C 2.506 179.478 176.870 0.170 0.000 1.092 417 L CA 0.783 55.690 54.840 0.112 0.000 0.759 417 L CB -0.777 41.352 42.059 0.116 0.000 0.903 417 L HN 0.438 nan 8.230 nan 0.000 0.435 418 C N -0.365 119.100 119.300 0.275 0.000 2.422 418 C HA -0.133 4.328 4.460 0.001 0.000 0.279 418 C C 2.716 177.852 174.990 0.244 0.000 1.305 418 C CA 0.218 59.483 59.018 0.412 0.000 1.757 418 C CB -0.717 27.275 27.740 0.420 0.000 1.962 418 C HN 0.432 nan 8.230 nan 0.000 0.499 419 L N 0.222 121.530 121.223 0.142 0.000 2.201 419 L HA -0.083 4.258 4.340 0.001 0.000 0.212 419 L C 2.248 179.212 176.870 0.157 0.000 1.105 419 L CA 1.747 56.668 54.840 0.135 0.000 0.775 419 L CB -0.771 41.327 42.059 0.066 0.000 0.913 419 L HN 0.461 nan 8.230 nan 0.000 0.440 420 L N -1.207 120.053 121.223 0.062 0.000 2.202 420 L HA 0.020 4.361 4.340 0.001 0.000 0.205 420 L C 2.706 179.509 176.870 -0.111 0.000 1.083 420 L CA 0.676 55.496 54.840 -0.033 0.000 0.790 420 L CB -0.464 41.546 42.059 -0.081 0.000 0.942 420 L HN 0.112 nan 8.230 nan 0.000 0.452 421 A N 0.706 123.477 122.820 -0.081 0.000 1.929 421 A HA -0.183 4.137 4.320 0.001 0.000 0.216 421 A C 2.100 179.633 177.584 -0.085 0.000 1.176 421 A CA 1.061 53.006 52.037 -0.154 0.000 0.628 421 A CB -0.818 18.009 19.000 -0.288 0.000 0.816 421 A HN 0.690 nan 8.150 nan 0.000 0.444 422 W N -0.030 121.107 121.300 -0.273 0.000 2.421 422 W HA -0.168 4.493 4.660 0.002 0.000 0.270 422 W C 1.184 177.472 176.519 -0.385 0.000 1.233 422 W CA 1.313 58.368 57.345 -0.484 0.000 1.226 422 W CB -1.116 27.692 29.460 -1.087 0.000 1.121 422 W HN 0.475 nan 8.180 nan 0.000 0.579 423 H N 1.188 119.521 119.070 -1.228 0.000 2.489 423 H HA -0.079 4.478 4.556 0.001 0.000 0.293 423 H C 1.689 176.596 175.328 -0.702 0.000 1.066 423 H CA 1.263 56.555 56.048 -1.260 0.000 1.305 423 H CB -0.545 28.604 29.762 -1.022 0.000 1.386 423 H HN 0.320 nan 8.280 nan 0.000 0.551 424 N N 0.515 119.024 118.700 -0.318 0.000 2.573 424 N HA -0.032 4.709 4.740 0.001 0.000 0.187 424 N C 0.635 176.045 175.510 -0.167 0.000 1.107 424 N CA 0.911 53.834 53.050 -0.211 0.000 0.918 424 N CB 0.549 38.944 38.487 -0.154 0.000 0.966 424 N HN 0.416 nan 8.380 nan 0.000 0.448 425 G N 0.847 109.563 108.800 -0.141 0.000 2.617 425 G HA2 -0.174 3.787 3.960 0.001 0.000 0.686 425 G HA3 -0.174 3.787 3.960 0.001 0.000 0.686 425 G C 0.282 175.159 174.900 -0.039 0.000 1.214 425 G CA -0.179 44.868 45.100 -0.089 0.000 0.796 425 G HN 0.165 nan 8.290 nan 0.000 0.654 426 E N -0.316 119.610 120.200 -0.457 0.000 2.097 426 E HA -0.220 4.131 4.350 0.001 0.000 0.196 426 E C 2.002 178.478 176.600 -0.206 0.000 1.000 426 E CA 1.922 57.860 56.400 -0.770 0.000 0.804 426 E CB -0.015 28.994 29.700 -1.152 0.000 0.740 426 E HN 0.639 nan 8.360 nan 0.000 0.454 427 E N -0.116 119.993 120.200 -0.151 0.000 2.072 427 E HA -0.216 4.135 4.350 0.001 0.000 0.191 427 E C 1.980 178.587 176.600 0.012 0.000 0.985 427 E CA 0.953 57.316 56.400 -0.062 0.000 0.801 427 E CB 0.099 29.760 29.700 -0.066 0.000 0.750 427 E HN 0.245 nan 8.360 nan 0.000 0.452 428 E N -0.064 120.155 120.200 0.031 0.000 2.046 428 E HA -0.177 4.174 4.350 0.001 0.000 0.190 428 E C 1.923 178.632 176.600 0.182 0.000 0.982 428 E CA 0.757 57.205 56.400 0.079 0.000 0.800 428 E CB -0.472 29.246 29.700 0.031 0.000 0.756 428 E HN 0.358 nan 8.360 nan 0.000 0.449 429 Y N 2.813 123.178 120.300 0.109 0.000 2.081 429 Y HA -0.256 4.295 4.550 0.001 0.000 0.280 429 Y C 1.905 177.948 175.900 0.238 0.000 1.163 429 Y CA 1.884 60.121 58.100 0.230 0.000 1.135 429 Y CB -0.389 38.276 38.460 0.343 0.000 0.970 429 Y HN 0.033 nan 8.280 nan 0.000 0.498 430 N N 0.377 119.153 118.700 0.126 0.000 2.289 430 N HA -0.166 4.574 4.740 0.001 0.000 0.184 430 N C 1.847 177.350 175.510 -0.013 0.000 1.016 430 N CA 1.209 54.256 53.050 -0.005 0.000 0.872 430 N CB -0.351 38.155 38.487 0.032 0.000 0.973 430 N HN 0.433 nan 8.380 nan 0.000 0.433 431 K N -0.232 120.200 120.400 0.053 0.000 2.103 431 K HA -0.081 4.240 4.320 0.001 0.000 0.204 431 K C 1.812 178.492 176.600 0.133 0.000 1.052 431 K CA 0.507 56.836 56.287 0.069 0.000 0.945 431 K CB -0.155 32.398 32.500 0.090 0.000 0.722 431 K HN 0.024 nan 8.250 nan 0.000 0.443 432 F N 2.223 122.176 119.950 0.005 0.000 2.046 432 F HA -0.188 4.340 4.527 0.001 0.000 0.297 432 F C 1.824 177.603 175.800 -0.036 0.000 1.123 432 F CA 1.376 59.411 58.000 0.059 0.000 1.199 432 F CB -0.612 38.395 39.000 0.012 0.000 0.972 432 F HN -0.064 nan 8.300 nan 0.000 0.474 433 L N -0.215 120.831 121.223 -0.295 0.000 2.187 433 L HA -0.249 4.092 4.340 0.001 0.000 0.213 433 L C 2.638 179.373 176.870 -0.225 0.000 1.100 433 L CA 1.049 55.657 54.840 -0.387 0.000 0.765 433 L CB -1.296 40.530 42.059 -0.388 0.000 0.904 433 L HN 0.310 nan 8.230 nan 0.000 0.437 434 A N 0.298 123.036 122.820 -0.137 0.000 1.841 434 A HA -0.196 4.125 4.320 0.001 0.000 0.214 434 A C 2.335 179.847 177.584 -0.119 0.000 1.195 434 A CA 1.438 53.415 52.037 -0.099 0.000 0.611 434 A CB -0.347 18.615 19.000 -0.063 0.000 0.835 434 A HN 0.256 nan 8.150 nan 0.000 0.443 435 K N -0.451 119.865 120.400 -0.139 0.000 2.074 435 K HA -0.131 4.190 4.320 0.001 0.000 0.209 435 K C 1.866 178.349 176.600 -0.195 0.000 1.048 435 K CA 1.598 57.732 56.287 -0.255 0.000 0.926 435 K CB -0.455 31.742 32.500 -0.504 0.000 0.713 435 K HN 0.553 nan 8.250 nan 0.000 0.444 436 I N 0.750 121.223 120.570 -0.160 0.000 2.179 436 I HA -0.281 3.890 4.170 0.001 0.000 0.242 436 I C 2.081 178.240 176.117 0.069 0.000 1.088 436 I CA 1.359 62.602 61.300 -0.094 0.000 1.357 436 I CB -0.190 37.566 38.000 -0.407 0.000 1.051 436 I HN 0.134 nan 8.210 nan 0.000 0.409 437 R N 0.515 120.991 120.500 -0.040 0.000 2.323 437 R HA -0.033 4.308 4.340 0.001 0.000 0.198 437 R C 2.053 178.343 176.300 -0.017 0.000 0.988 437 R CA 0.923 57.015 56.100 -0.013 0.000 1.041 437 R CB -0.211 30.061 30.300 -0.047 0.000 0.926 437 R HN 0.407 nan 8.270 nan 0.000 0.476 438 S N -0.231 115.448 115.700 -0.034 0.000 2.603 438 S HA 0.009 4.480 4.470 0.001 0.000 0.229 438 S C 0.760 175.333 174.600 -0.044 0.000 0.972 438 S CA -0.045 58.122 58.200 -0.055 0.000 0.935 438 S CB -0.355 62.787 63.200 -0.097 0.000 0.769 438 S HN 0.114 nan 8.310 nan 0.000 0.536 439 V N -4.415 115.488 119.914 -0.019 0.000 3.007 439 V HA 0.597 4.718 4.120 0.001 0.000 0.311 439 V C -2.549 173.515 176.094 -0.049 0.000 1.120 439 V CA -2.325 59.942 62.300 -0.055 0.000 0.980 439 V CB 1.435 33.189 31.823 -0.115 0.000 1.033 439 V HN -0.146 nan 8.190 nan 0.000 0.429 440 P HA -0.008 nan 4.420 nan 0.000 0.215 440 P C 1.702 178.976 177.300 -0.044 0.000 1.153 440 P CA 1.460 64.531 63.100 -0.050 0.000 0.853 440 P CB 0.207 31.873 31.700 -0.056 0.000 0.788 441 I N -0.544 119.972 120.570 -0.091 0.000 2.208 441 I HA -0.209 3.962 4.170 0.001 0.000 0.245 441 I C 2.483 178.624 176.117 0.041 0.000 1.097 441 I CA 1.851 63.106 61.300 -0.075 0.000 1.363 441 I CB -1.162 36.723 38.000 -0.192 0.000 1.051 441 I HN 0.012 nan 8.210 nan 0.000 0.413 442 G N 0.400 109.270 108.800 0.116 0.000 2.475 442 G HA2 -0.267 3.694 3.960 0.001 0.000 0.220 442 G HA3 -0.267 3.694 3.960 0.001 0.000 0.220 442 G C 1.748 176.712 174.900 0.107 0.000 1.125 442 G CA 0.565 45.842 45.100 0.294 0.000 0.755 442 G HN 0.345 nan 8.290 nan 0.000 0.565 443 R N 0.195 120.724 120.500 0.049 0.000 2.307 443 R HA 0.231 4.572 4.340 0.001 0.000 0.199 443 R C 2.504 178.814 176.300 0.017 0.000 1.000 443 R CA 0.555 56.665 56.100 0.017 0.000 1.023 443 R CB 0.018 30.318 30.300 0.000 0.000 0.908 443 R HN 0.342 nan 8.270 nan 0.000 0.473 444 A N 0.575 123.412 122.820 0.028 0.000 2.218 444 A HA 0.153 4.474 4.320 0.001 0.000 0.209 444 A C 0.637 178.240 177.584 0.032 0.000 1.168 444 A CA 0.027 52.078 52.037 0.024 0.000 0.804 444 A CB 0.132 19.144 19.000 0.020 0.000 0.834 444 A HN 0.085 nan 8.150 nan 0.000 0.482 445 L N 0.590 121.838 121.223 0.042 0.000 2.305 445 L HA 0.279 4.620 4.340 0.001 0.000 0.281 445 L C -0.360 176.518 176.870 0.014 0.000 1.085 445 L CA -0.716 54.145 54.840 0.035 0.000 0.813 445 L CB 0.885 42.968 42.059 0.040 0.000 1.157 445 L HN 0.069 nan 8.230 nan 0.000 0.436 446 D N 4.549 124.957 120.400 0.014 0.000 2.422 446 D HA 0.334 4.975 4.640 0.001 0.000 0.227 446 D C -0.727 175.579 176.300 0.010 0.000 1.190 446 D CA 0.013 54.019 54.000 0.010 0.000 0.905 446 D CB 0.243 41.049 40.800 0.010 0.000 1.034 446 D HN 0.276 nan 8.370 nan 0.000 0.507 447 L N 4.755 125.982 121.223 0.008 0.000 2.317 447 L HA 0.540 4.881 4.340 0.001 0.000 0.281 447 L C -1.923 174.977 176.870 0.050 0.000 1.024 447 L CA -1.962 52.892 54.840 0.022 0.000 0.810 447 L CB 1.658 43.706 42.059 -0.017 0.000 1.240 447 L HN 0.264 nan 8.230 nan 0.000 0.427 448 P HA 0.276 nan 4.420 nan 0.000 0.282 448 P C -0.831 176.570 177.300 0.168 0.000 1.249 448 P CA -0.613 62.521 63.100 0.058 0.000 0.806 448 P CB 0.967 32.647 31.700 -0.033 0.000 0.984 449 E N 0.871 121.141 120.200 0.117 0.000 2.349 449 E HA 0.023 4.373 4.350 0.001 0.000 0.265 449 E C 0.881 177.571 176.600 0.151 0.000 1.064 449 E CA -0.393 56.139 56.400 0.219 0.000 0.886 449 E CB 0.391 30.174 29.700 0.139 0.000 1.036 449 E HN 0.484 nan 8.360 nan 0.000 0.413 450 Y N 2.831 123.237 120.300 0.177 0.000 2.029 450 Y HA -0.401 4.150 4.550 0.002 0.000 0.269 450 Y C 2.413 178.250 175.900 -0.105 0.000 1.201 450 Y CA 3.038 61.105 58.100 -0.055 0.000 1.115 450 Y CB -0.332 38.203 38.460 0.126 0.000 0.945 450 Y HN 0.601 nan 8.280 nan 0.000 0.497 451 S N -1.861 113.982 115.700 0.238 0.000 2.419 451 S HA -0.212 4.259 4.470 0.001 0.000 0.235 451 S C 1.790 176.395 174.600 0.009 0.000 1.019 451 S CA 1.687 60.014 58.200 0.211 0.000 0.982 451 S CB -1.034 62.294 63.200 0.214 0.000 0.789 451 S HN 0.573 nan 8.310 nan 0.000 0.490 452 T N 2.735 117.232 114.554 -0.095 0.000 2.809 452 T HA 0.207 4.558 4.350 0.001 0.000 0.260 452 T C 1.751 176.257 174.700 -0.323 0.000 1.039 452 T CA 1.171 63.181 62.100 -0.150 0.000 1.141 452 T CB -0.439 68.359 68.868 -0.117 0.000 0.869 452 T HN 0.293 nan 8.240 nan 0.000 0.437 453 L N -0.230 120.624 121.223 -0.615 0.000 2.017 453 L HA -0.112 4.229 4.340 0.001 0.000 0.208 453 L C 2.456 178.628 176.870 -1.163 0.000 1.073 453 L CA 1.535 55.699 54.840 -1.126 0.000 0.745 453 L CB -0.596 40.281 42.059 -1.969 0.000 0.894 453 L HN 0.223 nan 8.230 nan 0.000 0.432 454 Y N 1.179 120.765 120.300 -1.191 0.000 2.128 454 Y HA -0.317 4.234 4.550 0.002 0.000 0.284 454 Y C 2.882 178.777 175.900 -0.009 0.000 1.154 454 Y CA 1.992 59.843 58.100 -0.414 0.000 1.149 454 Y CB -0.419 37.956 38.460 -0.143 0.000 0.976 454 Y HN 0.084 nan 8.280 nan 0.000 0.505 455 R N 0.140 120.582 120.500 -0.096 0.000 2.096 455 R HA -0.147 4.194 4.340 0.001 0.000 0.235 455 R C 2.503 178.744 176.300 -0.098 0.000 1.127 455 R CA 1.605 57.638 56.100 -0.112 0.000 0.968 455 R CB -0.433 29.834 30.300 -0.054 0.000 0.861 455 R HN 0.239 nan 8.270 nan 0.000 0.440 456 R N -0.589 119.842 120.500 -0.115 0.000 2.081 456 R HA -0.189 4.152 4.340 0.001 0.000 0.235 456 R C 1.893 178.201 176.300 0.012 0.000 1.131 456 R CA 1.841 57.891 56.100 -0.083 0.000 0.960 456 R CB -0.476 29.739 30.300 -0.141 0.000 0.856 456 R HN 0.388 nan 8.270 nan 0.000 0.436 457 W N 1.313 122.537 121.300 -0.126 0.000 2.333 457 W HA -0.189 4.472 4.660 0.002 0.000 0.316 457 W C 1.691 178.231 176.519 0.035 0.000 1.215 457 W CA 1.480 58.844 57.345 0.032 0.000 1.278 457 W CB -0.656 29.023 29.460 0.364 0.000 1.154 457 W HN 0.026 nan 8.180 nan 0.000 0.486 458 L N 0.241 121.480 121.223 0.027 0.000 2.042 458 L HA -0.267 4.074 4.340 0.001 0.000 0.210 458 L C 2.187 178.993 176.870 -0.106 0.000 1.076 458 L CA 1.838 56.577 54.840 -0.168 0.000 0.749 458 L CB -1.070 40.785 42.059 -0.339 0.000 0.893 458 L HN -0.062 nan 8.230 nan 0.000 0.432 459 D N -0.330 120.010 120.400 -0.100 0.000 2.178 459 D HA -0.141 4.499 4.640 0.001 0.000 0.201 459 D C 2.362 178.598 176.300 -0.107 0.000 0.980 459 D CA 1.614 55.563 54.000 -0.085 0.000 0.842 459 D CB -0.134 40.623 40.800 -0.072 0.000 0.948 459 D HN 0.373 nan 8.370 nan 0.000 0.472 460 S N -0.525 115.067 115.700 -0.181 0.000 2.474 460 S HA -0.090 4.381 4.470 0.001 0.000 0.235 460 S C 0.895 175.254 174.600 -0.402 0.000 0.997 460 S CA 0.107 58.137 58.200 -0.283 0.000 0.949 460 S CB -0.485 62.526 63.200 -0.315 0.000 0.766 460 S HN 0.044 nan 8.310 nan 0.000 0.517 461 F N 0.000 119.823 119.950 -0.212 0.000 2.286 461 F HA 0.000 4.528 4.527 0.001 0.000 0.279 461 F CA 0.000 57.884 58.000 -0.193 0.000 1.383 461 F CB 0.000 38.824 39.000 -0.294 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574