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 1qq5_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIKAVVFDAY GTLFDVQSVA DATERAYPGR GEYITQVWRQ KQLEYSWLRA DATA SEQUENCE LMGRYADFWS VTREALAYTL GTLGLEPDES FLADMAQAYN RLTPYPDAAQ DATA SEQUENCE CLAELAPLKR AILSNGAPDM LQALVANAGL TDSFDAVISV DAKRVFKPHP DATA SEQUENCE DSYALVEEVL GVTPAEVLFV SSNGFDVGGA KNFGFSVARV ARLSQEALAR DATA SEQUENCE ELVSGTIAPL TMFKALRMRE ETYAEAPDFV VPALGDLPRL VRGMA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.325 176.300 0.041 0.000 1.140 1 M CA 0.000 55.322 55.300 0.036 0.000 0.988 1 M CB 0.000 32.615 32.600 0.026 0.000 1.302 2 I N 2.717 123.310 120.570 0.038 0.000 2.494 2 I HA 0.182 4.360 4.170 0.013 0.000 0.289 2 I C 0.611 176.743 176.117 0.024 0.000 1.106 2 I CA 0.462 61.783 61.300 0.035 0.000 1.369 2 I CB 0.427 38.443 38.000 0.026 0.000 1.410 2 I HN 0.795 nan 8.210 nan 0.000 0.523 3 K N 4.371 124.788 120.400 0.029 0.000 2.367 3 K HA 0.410 4.737 4.320 0.013 0.000 0.195 3 K C 0.284 176.898 176.600 0.024 0.000 1.060 3 K CA 0.148 56.452 56.287 0.027 0.000 1.022 3 K CB 0.973 33.494 32.500 0.035 0.000 0.894 3 K HN 0.654 nan 8.250 nan 0.000 0.540 4 A N 0.991 123.819 122.820 0.014 0.000 2.488 4 A HA 0.521 4.849 4.320 0.013 0.000 0.298 4 A C -1.167 176.399 177.584 -0.029 0.000 1.044 4 A CA -0.603 51.439 52.037 0.008 0.000 0.693 4 A CB 1.679 20.685 19.000 0.010 0.000 1.272 4 A HN -0.078 nan 8.150 nan 0.000 0.402 5 V N 2.542 122.449 119.914 -0.012 0.000 2.328 5 V HA 0.446 4.574 4.120 0.013 0.000 0.278 5 V C -0.348 175.688 176.094 -0.098 0.000 1.021 5 V CA -0.484 61.753 62.300 -0.106 0.000 0.838 5 V CB 1.168 32.959 31.823 -0.053 0.000 0.999 5 V HN 0.638 nan 8.190 nan 0.000 0.447 6 V N 5.868 125.599 119.914 -0.305 0.000 2.370 6 V HA 0.519 4.647 4.120 0.013 0.000 0.283 6 V C -0.505 175.181 176.094 -0.680 0.000 1.023 6 V CA -0.457 61.663 62.300 -0.299 0.000 0.857 6 V CB 1.347 33.015 31.823 -0.259 0.000 0.985 6 V HN 0.626 nan 8.190 nan 0.000 0.443 7 F N 2.252 121.937 119.950 -0.441 0.000 2.421 7 F HA 0.436 4.970 4.527 0.012 0.000 0.337 7 F C 0.512 176.040 175.800 -0.455 0.000 1.105 7 F CA -0.843 56.888 58.000 -0.448 0.000 1.049 7 F CB 1.235 40.111 39.000 -0.208 0.000 1.139 7 F HN 0.538 nan 8.300 nan 0.000 0.479 8 D N 1.419 121.670 120.400 -0.248 0.000 2.382 8 D HA 0.413 5.060 4.640 0.013 0.000 0.240 8 D C 0.406 176.728 176.300 0.036 0.000 1.146 8 D CA 0.266 54.251 54.000 -0.025 0.000 0.897 8 D CB 1.444 42.293 40.800 0.082 0.000 1.197 8 D HN 0.550 nan 8.370 nan 0.000 0.432 9 A N 2.294 125.126 122.820 0.019 0.000 1.982 9 A HA 0.097 4.425 4.320 0.013 0.000 0.217 9 A C 0.048 177.720 177.584 0.147 0.000 1.457 9 A CA 0.164 52.214 52.037 0.020 0.000 0.654 9 A CB -0.758 18.078 19.000 -0.273 0.000 1.150 9 A HN 0.642 nan 8.150 nan 0.000 0.509 10 Y N 0.654 121.144 120.300 0.317 0.000 2.650 10 Y HA 0.373 4.931 4.550 0.013 0.000 0.342 10 Y C 1.610 177.686 175.900 0.294 0.000 1.110 10 Y CA 0.750 59.045 58.100 0.325 0.000 1.438 10 Y CB -0.146 38.515 38.460 0.334 0.000 1.181 10 Y HN 0.680 nan 8.280 nan 0.000 0.526 11 G N 1.883 110.941 108.800 0.431 0.000 2.234 11 G HA2 -0.322 3.645 3.960 0.013 0.000 0.235 11 G HA3 -0.322 3.645 3.960 0.013 0.000 0.235 11 G C 0.973 176.085 174.900 0.353 0.000 0.997 11 G CA 0.595 45.921 45.100 0.378 0.000 0.623 11 G HN 0.589 nan 8.290 nan 0.000 0.514 12 T N 0.101 114.825 114.554 0.282 0.000 3.111 12 T HA 0.346 4.703 4.350 0.013 0.000 0.236 12 T C 2.288 177.078 174.700 0.150 0.000 0.984 12 T CA 1.090 63.289 62.100 0.166 0.000 1.195 12 T CB 0.023 68.967 68.868 0.127 0.000 0.929 12 T HN 0.163 nan 8.240 nan 0.000 0.431 13 L N -0.570 120.668 121.223 0.025 0.000 2.354 13 L HA 0.362 4.709 4.340 0.013 0.000 0.212 13 L C -0.448 176.084 176.870 -0.565 0.000 1.091 13 L CA 0.465 55.099 54.840 -0.343 0.000 0.828 13 L CB 0.261 41.870 42.059 -0.751 0.000 0.973 13 L HN 0.161 nan 8.230 nan 0.000 0.461 14 F N -1.073 118.961 119.950 0.141 0.000 2.551 14 F HA 0.295 4.829 4.527 0.012 0.000 0.316 14 F C 0.002 175.724 175.800 -0.129 0.000 1.089 14 F CA -1.467 56.502 58.000 -0.051 0.000 0.915 14 F CB 1.032 40.008 39.000 -0.041 0.000 1.186 14 F HN -0.282 nan 8.300 nan 0.000 0.456 15 D N 2.032 122.265 120.400 -0.278 0.000 2.365 15 D HA 0.155 4.802 4.640 0.013 0.000 0.237 15 D C 0.936 177.157 176.300 -0.131 0.000 1.190 15 D CA -0.029 53.758 54.000 -0.355 0.000 0.867 15 D CB 1.438 41.890 40.800 -0.580 0.000 1.050 15 D HN 0.413 nan 8.370 nan 0.000 0.491 16 V N 2.033 121.930 119.914 -0.028 0.000 3.510 16 V HA -0.038 4.090 4.120 0.013 0.000 0.270 16 V C 1.316 177.307 176.094 -0.171 0.000 1.201 16 V CA 0.761 62.979 62.300 -0.136 0.000 1.166 16 V CB -0.177 31.658 31.823 0.020 0.000 0.825 16 V HN 0.386 nan 8.190 nan 0.000 0.484 17 Q N 1.589 121.330 119.800 -0.098 0.000 2.424 17 Q HA 0.079 4.427 4.340 0.013 0.000 0.204 17 Q C 2.300 178.244 176.000 -0.094 0.000 0.933 17 Q CA 1.223 56.982 55.803 -0.074 0.000 0.929 17 Q CB 0.240 28.965 28.738 -0.021 0.000 1.037 17 Q HN 0.920 nan 8.270 nan 0.000 0.511 18 S N -0.063 115.555 115.700 -0.137 0.000 2.607 18 S HA -0.031 4.446 4.470 0.013 0.000 0.224 18 S C 1.649 176.179 174.600 -0.116 0.000 0.969 18 S CA 0.541 58.670 58.200 -0.118 0.000 0.927 18 S CB -0.512 62.609 63.200 -0.131 0.000 0.772 18 S HN 0.221 nan 8.310 nan 0.000 0.533 19 V N -1.916 117.907 119.914 -0.152 0.000 3.573 19 V HA 0.482 4.609 4.120 0.013 0.000 0.270 19 V C 2.212 178.316 176.094 0.017 0.000 1.221 19 V CA 0.407 62.654 62.300 -0.089 0.000 1.163 19 V CB -1.320 30.413 31.823 -0.151 0.000 0.847 19 V HN 0.439 nan 8.190 nan 0.000 0.468 20 A N 1.243 124.062 122.820 -0.002 0.000 1.883 20 A HA -0.274 4.054 4.320 0.013 0.000 0.217 20 A C 1.946 179.557 177.584 0.045 0.000 1.186 20 A CA 2.305 54.359 52.037 0.029 0.000 0.624 20 A CB -0.857 18.150 19.000 0.012 0.000 0.822 20 A HN 0.623 nan 8.150 nan 0.000 0.444 21 D N -0.480 119.937 120.400 0.029 0.000 2.117 21 D HA -0.030 4.617 4.640 0.013 0.000 0.197 21 D C 2.000 178.328 176.300 0.047 0.000 0.987 21 D CA 1.631 55.651 54.000 0.033 0.000 0.829 21 D CB -0.172 40.638 40.800 0.018 0.000 0.961 21 D HN 0.351 nan 8.370 nan 0.000 0.460 22 A N -0.530 122.323 122.820 0.056 0.000 1.929 22 A HA -0.090 4.238 4.320 0.013 0.000 0.216 22 A C 2.351 179.995 177.584 0.100 0.000 1.176 22 A CA 2.276 54.355 52.037 0.070 0.000 0.628 22 A CB -1.147 17.901 19.000 0.080 0.000 0.816 22 A HN 0.440 nan 8.150 nan 0.000 0.444 23 T N -2.141 112.494 114.554 0.134 0.000 2.904 23 T HA -0.121 4.237 4.350 0.013 0.000 0.267 23 T C 1.602 176.382 174.700 0.134 0.000 1.059 23 T CA 1.540 63.730 62.100 0.150 0.000 1.137 23 T CB -0.289 68.692 68.868 0.187 0.000 0.879 23 T HN 0.390 nan 8.240 nan 0.000 0.467 24 E N 0.984 121.250 120.200 0.110 0.000 2.331 24 E HA -0.079 4.278 4.350 0.013 0.000 0.199 24 E C 2.155 178.814 176.600 0.097 0.000 1.008 24 E CA 0.773 57.236 56.400 0.104 0.000 0.843 24 E CB -0.173 29.572 29.700 0.075 0.000 0.761 24 E HN 0.353 nan 8.360 nan 0.000 0.507 25 R N -0.496 120.060 120.500 0.093 0.000 2.080 25 R HA 0.268 4.616 4.340 0.013 0.000 0.222 25 R C 2.111 178.478 176.300 0.111 0.000 1.107 25 R CA 1.260 57.410 56.100 0.083 0.000 0.980 25 R CB -0.845 29.498 30.300 0.071 0.000 0.879 25 R HN 0.197 nan 8.270 nan 0.000 0.439 26 A N -1.228 121.692 122.820 0.166 0.000 2.070 26 A HA -0.116 4.211 4.320 0.013 0.000 0.220 26 A C -0.059 177.634 177.584 0.181 0.000 1.159 26 A CA 1.084 53.258 52.037 0.227 0.000 0.656 26 A CB -0.139 19.023 19.000 0.271 0.000 0.800 26 A HN 0.345 nan 8.150 nan 0.000 0.453 27 Y N -1.247 119.086 120.300 0.055 0.000 2.323 27 Y HA 0.335 4.891 4.550 0.011 0.000 0.333 27 Y C -2.995 172.926 175.900 0.035 0.000 1.173 27 Y CA -2.719 55.400 58.100 0.032 0.000 1.342 27 Y CB 1.147 39.625 38.460 0.031 0.000 1.168 27 Y HN -0.023 nan 8.280 nan 0.000 0.464 28 P HA 0.184 nan 4.420 nan 0.000 0.262 28 P C 0.762 178.153 177.300 0.151 0.000 1.182 28 P CA 2.443 65.585 63.100 0.071 0.000 0.761 28 P CB 0.754 32.450 31.700 -0.007 0.000 0.795 29 G N 3.056 111.938 108.800 0.137 0.000 2.225 29 G HA2 -0.244 3.724 3.960 0.013 0.000 0.254 29 G HA3 -0.244 3.724 3.960 0.013 0.000 0.254 29 G C 0.943 175.934 174.900 0.152 0.000 0.988 29 G CA -0.260 44.921 45.100 0.136 0.000 0.625 29 G HN 0.494 nan 8.290 nan 0.000 0.527 30 R N 0.478 121.104 120.500 0.210 0.000 2.596 30 R HA 0.332 4.679 4.340 0.013 0.000 0.369 30 R C 2.133 178.539 176.300 0.177 0.000 1.042 30 R CA 0.705 56.899 56.100 0.157 0.000 1.120 30 R CB -0.187 30.123 30.300 0.017 0.000 1.353 30 R HN 0.393 nan 8.270 nan 0.000 0.564 31 G N 1.053 109.943 108.800 0.150 0.000 2.440 31 G HA2 -0.308 3.660 3.960 0.013 0.000 0.218 31 G HA3 -0.308 3.660 3.960 0.013 0.000 0.218 31 G C 1.287 176.240 174.900 0.088 0.000 1.154 31 G CA 0.810 45.983 45.100 0.122 0.000 0.767 31 G HN 0.408 nan 8.290 nan 0.000 0.552 32 E N -0.667 119.580 120.200 0.078 0.000 2.051 32 E HA -0.221 4.137 4.350 0.013 0.000 0.192 32 E C 2.105 178.701 176.600 -0.007 0.000 0.991 32 E CA 1.041 57.461 56.400 0.034 0.000 0.799 32 E CB -0.376 29.355 29.700 0.051 0.000 0.748 32 E HN 0.488 nan 8.360 nan 0.000 0.449 33 Y N 1.427 121.694 120.300 -0.055 0.000 2.081 33 Y HA -0.253 4.305 4.550 0.013 0.000 0.280 33 Y C 2.023 177.862 175.900 -0.102 0.000 1.163 33 Y CA 2.170 60.220 58.100 -0.085 0.000 1.135 33 Y CB -0.389 38.038 38.460 -0.055 0.000 0.970 33 Y HN 0.053 nan 8.280 nan 0.000 0.498 34 I N -0.555 119.950 120.570 -0.108 0.000 2.163 34 I HA -0.361 3.817 4.170 0.013 0.000 0.243 34 I C 2.264 178.335 176.117 -0.077 0.000 1.085 34 I CA 1.925 63.138 61.300 -0.146 0.000 1.347 34 I CB -0.816 37.214 38.000 0.049 0.000 1.044 34 I HN 0.254 nan 8.210 nan 0.000 0.408 35 T N 0.273 114.819 114.554 -0.013 0.000 2.699 35 T HA -0.214 4.143 4.350 0.013 0.000 0.268 35 T C 1.892 176.504 174.700 -0.146 0.000 1.036 35 T CA 1.274 63.385 62.100 0.019 0.000 1.147 35 T CB -0.168 68.687 68.868 -0.021 0.000 0.862 35 T HN 0.316 nan 8.240 nan 0.000 0.446 36 Q N 0.393 119.938 119.800 -0.426 0.000 2.049 36 Q HA 0.050 4.397 4.340 0.013 0.000 0.198 36 Q C 2.719 178.341 176.000 -0.629 0.000 0.971 36 Q CA 0.894 56.206 55.803 -0.819 0.000 0.833 36 Q CB -1.021 26.578 28.738 -1.897 0.000 0.896 36 Q HN 0.413 nan 8.270 nan 0.000 0.434 37 V N 0.167 119.743 119.914 -0.563 0.000 2.427 37 V HA -0.190 3.938 4.120 0.013 0.000 0.248 37 V C 1.933 177.976 176.094 -0.085 0.000 1.051 37 V CA 1.407 63.575 62.300 -0.221 0.000 1.048 37 V CB -0.641 30.946 31.823 -0.392 0.000 0.666 37 V HN 0.389 nan 8.190 nan 0.000 0.456 38 W N 1.887 123.011 121.300 -0.293 0.000 2.335 38 W HA -0.221 4.446 4.660 0.011 0.000 0.311 38 W C 2.692 179.030 176.519 -0.302 0.000 1.213 38 W CA 2.307 59.495 57.345 -0.262 0.000 1.274 38 W CB -0.649 28.707 29.460 -0.173 0.000 1.148 38 W HN 0.166 nan 8.180 nan 0.000 0.498 39 R N 0.938 121.389 120.500 -0.082 0.000 2.073 39 R HA -0.213 4.134 4.340 0.013 0.000 0.234 39 R C 2.241 178.430 176.300 -0.186 0.000 1.134 39 R CA 2.409 58.397 56.100 -0.188 0.000 0.952 39 R CB -1.389 28.871 30.300 -0.067 0.000 0.850 39 R HN 0.218 nan 8.270 nan 0.000 0.433 40 Q N 0.508 120.251 119.800 -0.095 0.000 2.061 40 Q HA -0.125 4.223 4.340 0.013 0.000 0.204 40 Q C 1.531 177.333 176.000 -0.329 0.000 0.984 40 Q CA 1.982 57.726 55.803 -0.099 0.000 0.846 40 Q CB -0.069 28.740 28.738 0.118 0.000 0.902 40 Q HN 0.152 nan 8.270 nan 0.000 0.421 41 K N 0.062 120.220 120.400 -0.403 0.000 2.217 41 K HA -0.111 4.216 4.320 0.013 0.000 0.202 41 K C 1.967 178.042 176.600 -0.876 0.000 1.051 41 K CA 1.101 56.925 56.287 -0.772 0.000 0.952 41 K CB -0.173 31.786 32.500 -0.902 0.000 0.736 41 K HN 0.498 nan 8.250 nan 0.000 0.453 42 Q N 0.874 120.308 119.800 -0.611 0.000 2.061 42 Q HA -0.134 4.214 4.340 0.013 0.000 0.204 42 Q C 2.161 177.786 176.000 -0.624 0.000 0.984 42 Q CA 1.282 56.706 55.803 -0.632 0.000 0.846 42 Q CB -0.041 28.270 28.738 -0.710 0.000 0.902 42 Q HN 0.221 nan 8.270 nan 0.000 0.421 43 L N 0.371 121.197 121.223 -0.662 0.000 1.994 43 L HA -0.215 4.132 4.340 0.013 0.000 0.208 43 L C 2.455 178.396 176.870 -1.549 0.000 1.071 43 L CA 1.621 55.814 54.840 -1.078 0.000 0.745 43 L CB -0.525 40.887 42.059 -1.078 0.000 0.892 43 L HN 0.316 nan 8.230 nan 0.000 0.431 44 E N -0.697 118.859 120.200 -1.072 0.000 2.085 44 E HA -0.243 4.115 4.350 0.013 0.000 0.194 44 E C 2.182 178.678 176.600 -0.174 0.000 0.994 44 E CA 1.383 57.447 56.400 -0.561 0.000 0.801 44 E CB -0.108 29.434 29.700 -0.262 0.000 0.743 44 E HN 0.429 nan 8.360 nan 0.000 0.453 45 Y N 0.754 120.801 120.300 -0.421 0.000 2.293 45 Y HA -0.149 4.409 4.550 0.014 0.000 0.291 45 Y C 2.831 178.571 175.900 -0.267 0.000 1.137 45 Y CA 1.053 58.979 58.100 -0.290 0.000 1.202 45 Y CB -1.016 37.260 38.460 -0.307 0.000 0.990 45 Y HN 0.084 nan 8.280 nan 0.000 0.537 46 S N -0.886 114.625 115.700 -0.314 0.000 2.368 46 S HA -0.179 4.299 4.470 0.013 0.000 0.225 46 S C 1.870 176.537 174.600 0.113 0.000 1.030 46 S CA 1.154 59.072 58.200 -0.469 0.000 0.999 46 S CB -0.875 61.834 63.200 -0.819 0.000 0.844 46 S HN 0.412 nan 8.310 nan 0.000 0.459 47 W N 1.653 122.973 121.300 0.033 0.000 2.379 47 W HA 0.228 4.896 4.660 0.012 0.000 0.307 47 W C 2.318 178.903 176.519 0.111 0.000 1.200 47 W CA -0.079 57.316 57.345 0.083 0.000 1.297 47 W CB -1.352 28.098 29.460 -0.017 0.000 1.140 47 W HN 0.337 nan 8.180 nan 0.000 0.507 48 L N -0.219 121.182 121.223 0.297 0.000 2.109 48 L HA -0.087 4.261 4.340 0.013 0.000 0.207 48 L C 2.741 179.699 176.870 0.147 0.000 1.086 48 L CA 1.099 56.050 54.840 0.185 0.000 0.760 48 L CB -0.747 41.380 42.059 0.114 0.000 0.910 48 L HN -0.137 nan 8.230 nan 0.000 0.437 49 R N -0.047 120.544 120.500 0.152 0.000 2.073 49 R HA -0.159 4.188 4.340 0.013 0.000 0.234 49 R C 2.419 178.862 176.300 0.238 0.000 1.134 49 R CA 1.491 57.688 56.100 0.161 0.000 0.952 49 R CB -0.461 29.951 30.300 0.185 0.000 0.850 49 R HN 0.355 nan 8.270 nan 0.000 0.433 50 A N 0.902 123.937 122.820 0.358 0.000 1.902 50 A HA -0.156 4.171 4.320 0.013 0.000 0.217 50 A C 2.014 179.739 177.584 0.236 0.000 1.181 50 A CA 1.053 53.285 52.037 0.325 0.000 0.623 50 A CB -0.434 18.823 19.000 0.429 0.000 0.818 50 A HN 0.216 nan 8.150 nan 0.000 0.443 51 L N -0.810 120.547 121.223 0.223 0.000 2.201 51 L HA 0.026 4.374 4.340 0.013 0.000 0.212 51 L C 2.319 179.257 176.870 0.115 0.000 1.105 51 L CA 1.560 56.496 54.840 0.160 0.000 0.775 51 L CB -0.427 41.714 42.059 0.136 0.000 0.913 51 L HN 0.404 nan 8.230 nan 0.000 0.440 52 M N -1.471 118.194 119.600 0.108 0.000 2.492 52 M HA 0.134 4.622 4.480 0.013 0.000 0.262 52 M C 1.281 177.626 176.300 0.074 0.000 1.090 52 M CA 0.894 56.239 55.300 0.075 0.000 1.110 52 M CB -0.171 32.462 32.600 0.056 0.000 1.407 52 M HN 0.436 nan 8.290 nan 0.000 0.470 53 G N 1.672 110.530 108.800 0.097 0.000 2.160 53 G HA2 -0.211 3.757 3.960 0.013 0.000 0.244 53 G HA3 -0.211 3.757 3.960 0.013 0.000 0.244 53 G C -0.206 174.745 174.900 0.084 0.000 1.022 53 G CA -0.218 44.932 45.100 0.083 0.000 0.741 53 G HN 0.342 nan 8.290 nan 0.000 0.508 54 R N -0.410 120.152 120.500 0.103 0.000 2.868 54 R HA 0.273 4.621 4.340 0.013 0.000 0.289 54 R C -0.088 176.289 176.300 0.129 0.000 1.443 54 R CA -1.064 55.091 56.100 0.091 0.000 1.651 54 R CB -0.116 30.212 30.300 0.048 0.000 1.242 54 R HN 0.438 nan 8.270 nan 0.000 0.621 55 Y N 1.045 121.360 120.300 0.026 0.000 2.480 55 Y HA 0.297 4.855 4.550 0.013 0.000 0.338 55 Y C -0.227 175.708 175.900 0.058 0.000 1.220 55 Y CA -0.119 57.995 58.100 0.022 0.000 1.430 55 Y CB 0.790 39.191 38.460 -0.099 0.000 1.311 55 Y HN 0.519 nan 8.280 nan 0.000 0.575 56 A N 4.720 127.153 122.820 -0.646 0.000 2.549 56 A HA 0.451 4.779 4.320 0.013 0.000 0.297 56 A C -1.228 175.901 177.584 -0.758 0.000 1.061 56 A CA -0.621 51.117 52.037 -0.499 0.000 0.690 56 A CB 0.738 19.642 19.000 -0.160 0.000 1.287 56 A HN 0.812 nan 8.150 nan 0.000 0.402 57 D N -0.069 120.124 120.400 -0.345 0.000 2.371 57 D HA 0.147 4.794 4.640 0.013 0.000 0.242 57 D C 0.532 177.026 176.300 0.323 0.000 1.218 57 D CA -0.373 53.635 54.000 0.014 0.000 0.945 57 D CB 0.148 41.093 40.800 0.241 0.000 1.137 57 D HN 0.270 nan 8.370 nan 0.000 0.464 58 F N -0.518 119.633 119.950 0.334 0.000 2.333 58 F HA -0.021 4.514 4.527 0.013 0.000 0.300 58 F C 1.693 177.571 175.800 0.130 0.000 1.083 58 F CA 0.556 58.669 58.000 0.187 0.000 1.395 58 F CB -0.196 38.948 39.000 0.239 0.000 1.056 58 F HN 0.579 nan 8.300 nan 0.000 0.529 59 W N -0.370 120.984 121.300 0.090 0.000 2.381 59 W HA -0.202 4.466 4.660 0.013 0.000 0.301 59 W C 2.487 178.968 176.519 -0.063 0.000 1.205 59 W CA 1.421 58.761 57.345 -0.008 0.000 1.285 59 W CB -0.563 28.928 29.460 0.051 0.000 1.133 59 W HN 0.061 nan 8.180 nan 0.000 0.521 60 S N 0.317 115.992 115.700 -0.041 0.000 2.355 60 S HA -0.181 4.296 4.470 0.013 0.000 0.222 60 S C 1.813 176.279 174.600 -0.224 0.000 1.031 60 S CA 1.731 59.836 58.200 -0.159 0.000 0.993 60 S CB -0.750 62.420 63.200 -0.051 0.000 0.859 60 S HN 0.055 nan 8.310 nan 0.000 0.453 61 V N 1.594 121.381 119.914 -0.211 0.000 2.282 61 V HA -0.186 3.942 4.120 0.013 0.000 0.249 61 V C 2.703 178.544 176.094 -0.423 0.000 1.057 61 V CA 2.450 64.575 62.300 -0.291 0.000 1.032 61 V CB -1.450 30.121 31.823 -0.420 0.000 0.645 61 V HN 0.574 nan 8.190 nan 0.000 0.447 62 T N -0.539 113.637 114.554 -0.630 0.000 2.788 62 T HA -0.197 4.161 4.350 0.013 0.000 0.268 62 T C 2.046 176.570 174.700 -0.293 0.000 1.044 62 T CA 1.559 63.301 62.100 -0.597 0.000 1.139 62 T CB -0.225 68.212 68.868 -0.717 0.000 0.867 62 T HN 0.448 nan 8.240 nan 0.000 0.454 63 R N 0.701 120.931 120.500 -0.451 0.000 2.093 63 R HA 0.029 4.377 4.340 0.013 0.000 0.224 63 R C 2.533 178.690 176.300 -0.237 0.000 1.101 63 R CA 1.004 56.867 56.100 -0.395 0.000 0.979 63 R CB -0.091 29.903 30.300 -0.511 0.000 0.877 63 R HN 0.527 nan 8.270 nan 0.000 0.441 64 E N 0.737 120.840 120.200 -0.162 0.000 2.077 64 E HA -0.158 4.200 4.350 0.013 0.000 0.193 64 E C 2.033 178.684 176.600 0.084 0.000 0.989 64 E CA 1.168 57.559 56.400 -0.014 0.000 0.800 64 E CB -0.084 29.634 29.700 0.030 0.000 0.746 64 E HN 0.334 nan 8.360 nan 0.000 0.452 65 A N 1.244 124.050 122.820 -0.024 0.000 1.930 65 A HA -0.150 4.178 4.320 0.013 0.000 0.217 65 A C 2.159 179.620 177.584 -0.206 0.000 1.175 65 A CA 0.923 52.848 52.037 -0.187 0.000 0.627 65 A CB -0.444 18.393 19.000 -0.272 0.000 0.815 65 A HN 0.209 nan 8.150 nan 0.000 0.443 66 L N -0.227 120.740 121.223 -0.426 0.000 2.056 66 L HA -0.019 4.329 4.340 0.013 0.000 0.207 66 L C 2.647 179.282 176.870 -0.391 0.000 1.078 66 L CA 2.078 56.414 54.840 -0.839 0.000 0.749 66 L CB -0.833 40.570 42.059 -1.094 0.000 0.901 66 L HN 0.335 nan 8.230 nan 0.000 0.433 67 A N -1.333 121.360 122.820 -0.212 0.000 1.902 67 A HA -0.299 4.029 4.320 0.013 0.000 0.217 67 A C 2.311 179.866 177.584 -0.049 0.000 1.181 67 A CA 1.883 53.855 52.037 -0.108 0.000 0.623 67 A CB -1.213 17.751 19.000 -0.060 0.000 0.818 67 A HN 0.634 nan 8.150 nan 0.000 0.443 68 Y N 1.288 121.533 120.300 -0.090 0.000 2.114 68 Y HA -0.208 4.349 4.550 0.012 0.000 0.284 68 Y C 2.676 178.531 175.900 -0.074 0.000 1.143 68 Y CA 2.457 60.533 58.100 -0.040 0.000 1.135 68 Y CB -0.762 37.709 38.460 0.019 0.000 0.980 68 Y HN 0.314 nan 8.280 nan 0.000 0.499 69 T N 1.522 116.113 114.554 0.061 0.000 2.652 69 T HA -0.217 4.141 4.350 0.013 0.000 0.267 69 T C 2.009 176.665 174.700 -0.073 0.000 1.039 69 T CA 2.027 64.118 62.100 -0.016 0.000 1.153 69 T CB -0.649 68.145 68.868 -0.124 0.000 0.863 69 T HN 0.333 nan 8.240 nan 0.000 0.428 70 L N 0.680 121.829 121.223 -0.123 0.000 2.131 70 L HA 0.015 4.363 4.340 0.013 0.000 0.210 70 L C 2.991 179.797 176.870 -0.107 0.000 1.092 70 L CA 1.150 55.935 54.840 -0.091 0.000 0.759 70 L CB -0.988 41.011 42.059 -0.101 0.000 0.903 70 L HN 0.368 nan 8.230 nan 0.000 0.435 71 G N 0.091 108.797 108.800 -0.156 0.000 2.422 71 G HA2 -0.267 3.700 3.960 0.013 0.000 0.218 71 G HA3 -0.267 3.700 3.960 0.013 0.000 0.218 71 G C 1.717 176.496 174.900 -0.202 0.000 1.140 71 G CA 1.215 46.207 45.100 -0.180 0.000 0.775 71 G HN 0.457 nan 8.290 nan 0.000 0.545 72 T N -0.246 114.165 114.554 -0.240 0.000 2.881 72 T HA 0.008 4.365 4.350 0.013 0.000 0.270 72 T C 2.226 176.839 174.700 -0.145 0.000 1.068 72 T CA 0.883 62.873 62.100 -0.183 0.000 1.131 72 T CB -0.245 68.583 68.868 -0.067 0.000 0.871 72 T HN 0.199 nan 8.240 nan 0.000 0.479 73 L N 0.563 121.698 121.223 -0.146 0.000 2.599 73 L HA 0.357 4.705 4.340 0.013 0.000 0.230 73 L C 2.064 178.871 176.870 -0.104 0.000 1.141 73 L CA 0.474 55.184 54.840 -0.218 0.000 0.877 73 L CB -0.445 41.403 42.059 -0.352 0.000 1.009 73 L HN 0.633 nan 8.230 nan 0.000 0.447 74 G N 0.057 108.806 108.800 -0.085 0.000 2.141 74 G HA2 -0.233 3.735 3.960 0.013 0.000 0.231 74 G HA3 -0.233 3.735 3.960 0.013 0.000 0.231 74 G C 0.161 175.037 174.900 -0.040 0.000 0.984 74 G CA -0.279 44.788 45.100 -0.054 0.000 0.660 74 G HN 0.193 nan 8.290 nan 0.000 0.525 75 L N -0.118 121.078 121.223 -0.045 0.000 2.421 75 L HA 0.714 5.061 4.340 0.013 0.000 0.263 75 L C 0.356 177.166 176.870 -0.101 0.000 1.122 75 L CA -0.671 54.129 54.840 -0.067 0.000 0.804 75 L CB 0.962 42.983 42.059 -0.063 0.000 1.150 75 L HN -0.062 nan 8.230 nan 0.000 0.457 76 E N 1.826 121.952 120.200 -0.125 0.000 3.909 76 E HA 0.247 4.605 4.350 0.013 0.000 0.236 76 E C -2.304 174.209 176.600 -0.145 0.000 1.222 76 E CA -1.177 55.154 56.400 -0.115 0.000 1.205 76 E CB 0.658 30.306 29.700 -0.087 0.000 1.249 76 E HN 0.449 nan 8.360 nan 0.000 0.411 77 P HA 0.135 nan 4.420 nan 0.000 0.275 77 P C -0.229 177.021 177.300 -0.083 0.000 1.228 77 P CA -0.252 62.697 63.100 -0.251 0.000 0.786 77 P CB 1.098 32.558 31.700 -0.400 0.000 0.927 78 D N 0.301 120.685 120.400 -0.027 0.000 2.383 78 D HA 0.026 4.674 4.640 0.013 0.000 0.248 78 D C 1.030 177.371 176.300 0.068 0.000 1.170 78 D CA -0.461 53.551 54.000 0.020 0.000 0.977 78 D CB 0.529 41.345 40.800 0.026 0.000 1.120 78 D HN 0.206 nan 8.370 nan 0.000 0.481 79 E N 0.051 120.275 120.200 0.041 0.000 2.118 79 E HA -0.217 4.140 4.350 0.013 0.000 0.195 79 E C 1.834 178.472 176.600 0.063 0.000 0.992 79 E CA 1.115 57.536 56.400 0.036 0.000 0.804 79 E CB -0.599 29.115 29.700 0.024 0.000 0.741 79 E HN 0.528 nan 8.360 nan 0.000 0.458 80 S N 0.160 115.909 115.700 0.080 0.000 2.359 80 S HA -0.179 4.299 4.470 0.013 0.000 0.224 80 S C 1.844 176.500 174.600 0.095 0.000 1.035 80 S CA 1.133 59.384 58.200 0.085 0.000 1.018 80 S CB -0.367 62.882 63.200 0.081 0.000 0.876 80 S HN 0.291 nan 8.310 nan 0.000 0.448 81 F N 1.906 121.849 119.950 -0.011 0.000 2.134 81 F HA 0.006 4.541 4.527 0.012 0.000 0.299 81 F C 1.868 177.643 175.800 -0.041 0.000 1.097 81 F CA 1.508 59.495 58.000 -0.022 0.000 1.264 81 F CB -0.356 38.621 39.000 -0.038 0.000 1.001 81 F HN 0.199 nan 8.300 nan 0.000 0.479 82 L N -0.105 121.200 121.223 0.137 0.000 2.017 82 L HA -0.219 4.129 4.340 0.013 0.000 0.208 82 L C 2.819 179.621 176.870 -0.114 0.000 1.073 82 L CA 1.258 56.083 54.840 -0.025 0.000 0.745 82 L CB -1.297 40.733 42.059 -0.049 0.000 0.894 82 L HN 0.240 nan 8.230 nan 0.000 0.432 83 A N -0.037 122.766 122.820 -0.029 0.000 1.933 83 A HA -0.293 4.034 4.320 0.013 0.000 0.218 83 A C 1.953 179.630 177.584 0.156 0.000 1.175 83 A CA 2.178 54.279 52.037 0.107 0.000 0.628 83 A CB -0.641 18.480 19.000 0.202 0.000 0.814 83 A HN 0.502 nan 8.150 nan 0.000 0.444 84 D N -1.127 119.274 120.400 0.001 0.000 2.117 84 D HA -0.155 4.493 4.640 0.013 0.000 0.198 84 D C 1.950 178.207 176.300 -0.072 0.000 0.982 84 D CA 1.599 55.574 54.000 -0.041 0.000 0.828 84 D CB -0.193 40.517 40.800 -0.150 0.000 0.967 84 D HN 0.409 nan 8.370 nan 0.000 0.464 85 M N -0.230 119.232 119.600 -0.229 0.000 2.200 85 M HA -0.009 4.479 4.480 0.013 0.000 0.265 85 M C 1.992 178.359 176.300 0.112 0.000 1.066 85 M CA 1.454 56.650 55.300 -0.175 0.000 1.127 85 M CB 0.011 32.377 32.600 -0.389 0.000 1.379 85 M HN 0.131 nan 8.290 nan 0.000 0.420 86 A N -0.072 122.818 122.820 0.118 0.000 2.070 86 A HA -0.171 4.156 4.320 0.013 0.000 0.220 86 A C 1.855 179.741 177.584 0.503 0.000 1.159 86 A CA 1.153 53.373 52.037 0.307 0.000 0.656 86 A CB -0.639 18.213 19.000 -0.248 0.000 0.800 86 A HN 0.601 nan 8.150 nan 0.000 0.453 87 Q N -0.425 119.658 119.800 0.473 0.000 2.376 87 Q HA -0.176 4.171 4.340 0.013 0.000 0.211 87 Q C 2.248 178.393 176.000 0.241 0.000 0.986 87 Q CA 1.213 57.239 55.803 0.372 0.000 0.886 87 Q CB -0.683 28.175 28.738 0.200 0.000 0.927 87 Q HN 0.724 nan 8.270 nan 0.000 0.457 88 A N -0.321 122.644 122.820 0.241 0.000 1.978 88 A HA -0.202 4.125 4.320 0.013 0.000 0.220 88 A C 1.680 179.262 177.584 -0.004 0.000 1.170 88 A CA 1.098 53.205 52.037 0.118 0.000 0.636 88 A CB -0.728 18.377 19.000 0.174 0.000 0.810 88 A HN 0.365 nan 8.150 nan 0.000 0.448 89 Y N 0.346 120.658 120.300 0.019 0.000 2.571 89 Y HA -0.047 4.511 4.550 0.012 0.000 0.294 89 Y C 1.468 177.404 175.900 0.061 0.000 1.141 89 Y CA 1.124 59.189 58.100 -0.058 0.000 1.308 89 Y CB 0.181 38.534 38.460 -0.179 0.000 1.002 89 Y HN 0.341 nan 8.280 nan 0.000 0.551 90 N N -0.090 118.706 118.700 0.161 0.000 2.270 90 N HA 0.073 4.821 4.740 0.013 0.000 0.198 90 N C 0.225 175.713 175.510 -0.037 0.000 1.117 90 N CA 0.393 53.481 53.050 0.063 0.000 0.845 90 N CB 0.218 38.730 38.487 0.042 0.000 0.980 90 N HN 0.403 nan 8.380 nan 0.000 0.486 91 R N 0.057 120.524 120.500 -0.055 0.000 2.642 91 R HA 0.302 4.650 4.340 0.013 0.000 0.435 91 R C -0.239 176.005 176.300 -0.093 0.000 1.046 91 R CA -0.281 55.778 56.100 -0.069 0.000 1.103 91 R CB 0.604 30.883 30.300 -0.034 0.000 1.425 91 R HN -0.015 nan 8.270 nan 0.000 0.586 92 L N 2.610 123.748 121.223 -0.142 0.000 2.499 92 L HA 0.043 4.390 4.340 0.013 0.000 0.273 92 L C 1.044 177.913 176.870 -0.001 0.000 1.195 92 L CA 0.369 55.137 54.840 -0.119 0.000 0.882 92 L CB 0.317 42.307 42.059 -0.114 0.000 1.133 92 L HN 0.182 nan 8.230 nan 0.000 0.483 93 T N 1.850 116.386 114.554 -0.031 0.000 2.870 93 T HA 0.255 4.613 4.350 0.013 0.000 0.300 93 T C -2.041 172.663 174.700 0.006 0.000 0.989 93 T CA -1.476 60.618 62.100 -0.010 0.000 1.139 93 T CB 0.730 69.557 68.868 -0.068 0.000 0.920 93 T HN 0.400 nan 8.240 nan 0.000 0.537 94 P HA 0.114 nan 4.420 nan 0.000 0.272 94 P C -0.568 176.630 177.300 -0.169 0.000 1.240 94 P CA -0.569 62.494 63.100 -0.061 0.000 0.791 94 P CB 0.411 32.083 31.700 -0.045 0.000 0.978 95 Y N 1.087 121.316 120.300 -0.118 0.000 2.497 95 Y HA 0.039 4.597 4.550 0.012 0.000 0.334 95 Y C -0.755 175.103 175.900 -0.071 0.000 1.199 95 Y CA -0.923 57.133 58.100 -0.073 0.000 1.425 95 Y CB -0.968 37.446 38.460 -0.077 0.000 1.291 95 Y HN 0.416 nan 8.280 nan 0.000 0.562 96 P HA -0.231 nan 4.420 nan 0.000 0.218 96 P C 0.454 177.767 177.300 0.022 0.000 1.154 96 P CA 2.156 65.284 63.100 0.048 0.000 0.872 96 P CB 0.170 31.904 31.700 0.056 0.000 0.790 97 D N -2.095 118.323 120.400 0.030 0.000 2.388 97 D HA 0.189 4.836 4.640 0.013 0.000 0.221 97 D C 1.340 177.620 176.300 -0.033 0.000 1.133 97 D CA -0.061 53.935 54.000 -0.007 0.000 0.831 97 D CB -0.606 40.190 40.800 -0.007 0.000 0.962 97 D HN 0.069 nan 8.370 nan 0.000 0.502 98 A N 1.075 123.868 122.820 -0.044 0.000 1.855 98 A HA 0.151 4.478 4.320 0.013 0.000 0.215 98 A C 2.388 179.875 177.584 -0.161 0.000 1.191 98 A CA 1.750 53.715 52.037 -0.119 0.000 0.613 98 A CB -0.874 18.027 19.000 -0.164 0.000 0.829 98 A HN 0.335 nan 8.150 nan 0.000 0.442 99 A N -0.917 121.825 122.820 -0.130 0.000 1.859 99 A HA -0.273 4.055 4.320 0.013 0.000 0.217 99 A C 2.178 179.686 177.584 -0.125 0.000 1.198 99 A CA 2.382 54.336 52.037 -0.138 0.000 0.629 99 A CB -0.715 18.229 19.000 -0.093 0.000 0.830 99 A HN 0.504 nan 8.150 nan 0.000 0.446 100 Q N -0.374 119.374 119.800 -0.086 0.000 2.135 100 Q HA -0.182 4.166 4.340 0.013 0.000 0.204 100 Q C 2.142 178.098 176.000 -0.074 0.000 0.981 100 Q CA 1.947 57.708 55.803 -0.070 0.000 0.856 100 Q CB -1.224 27.485 28.738 -0.048 0.000 0.902 100 Q HN 0.691 nan 8.270 nan 0.000 0.425 101 C N -0.681 118.574 119.300 -0.076 0.000 2.413 101 C HA -0.116 4.352 4.460 0.013 0.000 0.278 101 C C 2.516 177.462 174.990 -0.074 0.000 1.224 101 C CA 1.070 60.056 59.018 -0.053 0.000 1.732 101 C CB -1.235 26.489 27.740 -0.028 0.000 2.050 101 C HN 0.665 nan 8.230 nan 0.000 0.463 102 L N 1.274 122.396 121.223 -0.169 0.000 2.079 102 L HA -0.127 4.221 4.340 0.013 0.000 0.210 102 L C 3.016 179.785 176.870 -0.168 0.000 1.081 102 L CA 1.698 56.397 54.840 -0.236 0.000 0.752 102 L CB -0.824 40.958 42.059 -0.462 0.000 0.896 102 L HN 0.525 nan 8.230 nan 0.000 0.433 103 A N 0.290 123.022 122.820 -0.147 0.000 1.851 103 A HA -0.237 4.091 4.320 0.013 0.000 0.216 103 A C 2.092 179.631 177.584 -0.074 0.000 1.195 103 A CA 1.821 53.793 52.037 -0.109 0.000 0.622 103 A CB -0.580 18.365 19.000 -0.092 0.000 0.831 103 A HN 0.494 nan 8.150 nan 0.000 0.444 104 E N -0.296 119.869 120.200 -0.059 0.000 2.463 104 E HA -0.047 4.310 4.350 0.013 0.000 0.201 104 E C 0.855 177.437 176.600 -0.031 0.000 1.045 104 E CA 0.476 56.852 56.400 -0.041 0.000 0.872 104 E CB -0.224 29.455 29.700 -0.035 0.000 0.797 104 E HN 0.620 nan 8.360 nan 0.000 0.538 105 L N -0.043 121.163 121.223 -0.029 0.000 2.700 105 L HA 0.251 4.599 4.340 0.013 0.000 0.234 105 L C 2.035 178.895 176.870 -0.017 0.000 1.156 105 L CA -0.300 54.536 54.840 -0.007 0.000 0.946 105 L CB 0.130 42.214 42.059 0.041 0.000 1.216 105 L HN 0.065 nan 8.230 nan 0.000 0.493 106 A N 1.185 123.983 122.820 -0.038 0.000 1.940 106 A HA -0.109 4.219 4.320 0.013 0.000 0.219 106 A C -0.005 177.566 177.584 -0.022 0.000 1.176 106 A CA 1.495 53.507 52.037 -0.042 0.000 0.631 106 A CB -1.345 17.625 19.000 -0.049 0.000 0.814 106 A HN 0.293 nan 8.150 nan 0.000 0.446 107 P HA -0.067 nan 4.420 nan 0.000 0.214 107 P C 0.447 177.748 177.300 0.001 0.000 1.163 107 P CA 0.746 63.841 63.100 -0.008 0.000 0.883 107 P CB -0.108 31.587 31.700 -0.009 0.000 0.788 108 L N -0.613 120.613 121.223 0.005 0.000 2.472 108 L HA 0.087 4.434 4.340 0.013 0.000 0.260 108 L C 0.918 177.804 176.870 0.028 0.000 1.209 108 L CA -0.487 54.362 54.840 0.016 0.000 0.817 108 L CB -0.014 42.056 42.059 0.017 0.000 1.106 108 L HN -0.118 nan 8.230 nan 0.000 0.479 109 K N 1.597 122.020 120.400 0.037 0.000 2.350 109 K HA 0.267 4.594 4.320 0.013 0.000 0.279 109 K C -0.658 175.995 176.600 0.089 0.000 1.027 109 K CA -0.051 56.268 56.287 0.055 0.000 0.969 109 K CB 0.581 33.112 32.500 0.052 0.000 0.954 109 K HN 0.449 nan 8.250 nan 0.000 0.474 110 R N 1.277 121.854 120.500 0.128 0.000 2.480 110 R HA 0.572 4.920 4.340 0.013 0.000 0.306 110 R C -1.055 175.467 176.300 0.371 0.000 0.958 110 R CA -0.575 55.671 56.100 0.244 0.000 0.861 110 R CB 2.004 32.391 30.300 0.145 0.000 1.171 110 R HN 0.656 nan 8.270 nan 0.000 0.445 111 A N 3.231 126.277 122.820 0.376 0.000 2.569 111 A HA 0.745 5.073 4.320 0.013 0.000 0.290 111 A C -1.221 176.336 177.584 -0.046 0.000 1.136 111 A CA -0.727 51.413 52.037 0.173 0.000 0.710 111 A CB 1.436 20.480 19.000 0.072 0.000 1.303 111 A HN 0.616 nan 8.150 nan 0.000 0.413 112 I N 0.506 120.901 120.570 -0.291 0.000 2.465 112 I HA 0.432 4.610 4.170 0.013 0.000 0.291 112 I C -1.371 174.659 176.117 -0.144 0.000 1.014 112 I CA -0.720 60.388 61.300 -0.320 0.000 1.093 112 I CB 1.962 39.626 38.000 -0.560 0.000 1.267 112 I HN 0.524 nan 8.210 nan 0.000 0.431 113 L N 6.566 127.748 121.223 -0.069 0.000 2.319 113 L HA 0.632 4.980 4.340 0.013 0.000 0.281 113 L C -0.634 176.263 176.870 0.045 0.000 1.005 113 L CA 0.320 55.183 54.840 0.038 0.000 0.828 113 L CB 1.436 43.631 42.059 0.227 0.000 1.227 113 L HN 0.567 nan 8.230 nan 0.000 0.415 114 S N 3.216 118.918 115.700 0.003 0.000 2.564 114 S HA 0.474 4.952 4.470 0.013 0.000 0.274 114 S C 0.459 175.064 174.600 0.008 0.000 1.124 114 S CA -0.728 57.470 58.200 -0.003 0.000 0.869 114 S CB 1.273 64.414 63.200 -0.098 0.000 1.105 114 S HN 0.695 nan 8.310 nan 0.000 0.472 115 N N 1.919 120.593 118.700 -0.043 0.000 2.381 115 N HA 0.024 4.772 4.740 0.013 0.000 0.182 115 N C 1.059 176.467 175.510 -0.170 0.000 1.025 115 N CA 0.869 53.845 53.050 -0.124 0.000 0.888 115 N CB -0.738 37.359 38.487 -0.650 0.000 0.965 115 N HN 0.741 nan 8.380 nan 0.000 0.438 116 G N 0.349 109.116 108.800 -0.054 0.000 2.321 116 G HA2 0.308 4.275 3.960 0.013 0.000 0.237 116 G HA3 0.308 4.275 3.960 0.013 0.000 0.237 116 G C 0.149 175.233 174.900 0.306 0.000 1.282 116 G CA 0.084 45.388 45.100 0.341 0.000 0.886 116 G HN 0.314 nan 8.290 nan 0.000 0.528 117 A N 4.372 127.438 122.820 0.409 0.000 2.466 117 A HA 0.470 4.797 4.320 0.013 0.000 0.238 117 A C -0.424 177.258 177.584 0.164 0.000 1.074 117 A CA -0.668 51.542 52.037 0.289 0.000 0.774 117 A CB 0.343 19.528 19.000 0.308 0.000 1.015 117 A HN 0.500 nan 8.150 nan 0.000 0.498 118 P HA -0.216 nan 4.420 nan 0.000 0.217 118 P C 0.711 178.022 177.300 0.018 0.000 1.162 118 P CA 1.876 65.005 63.100 0.048 0.000 0.901 118 P CB 0.112 31.834 31.700 0.037 0.000 0.793 119 D N -1.690 118.707 120.400 -0.006 0.000 2.144 119 D HA -0.085 4.563 4.640 0.013 0.000 0.200 119 D C 1.950 178.207 176.300 -0.070 0.000 0.978 119 D CA 1.141 55.103 54.000 -0.062 0.000 0.833 119 D CB -0.432 40.292 40.800 -0.126 0.000 0.961 119 D HN 0.218 nan 8.370 nan 0.000 0.470 120 M N 0.225 119.811 119.600 -0.023 0.000 2.080 120 M HA -0.140 4.347 4.480 0.013 0.000 0.260 120 M C 2.370 178.688 176.300 0.030 0.000 1.068 120 M CA 1.190 56.513 55.300 0.039 0.000 1.109 120 M CB -0.250 32.501 32.600 0.250 0.000 1.342 120 M HN -0.010 nan 8.290 nan 0.000 0.405 121 L N -0.462 120.780 121.223 0.030 0.000 2.046 121 L HA -0.236 4.112 4.340 0.013 0.000 0.208 121 L C 2.647 179.476 176.870 -0.069 0.000 1.077 121 L CA 1.430 56.242 54.840 -0.047 0.000 0.747 121 L CB -0.762 41.273 42.059 -0.041 0.000 0.896 121 L HN 0.441 nan 8.230 nan 0.000 0.432 122 Q N 0.119 119.894 119.800 -0.041 0.000 2.050 122 Q HA -0.219 4.129 4.340 0.013 0.000 0.202 122 Q C 2.318 178.292 176.000 -0.044 0.000 0.980 122 Q CA 1.861 57.645 55.803 -0.032 0.000 0.840 122 Q CB -0.067 28.656 28.738 -0.025 0.000 0.898 122 Q HN 0.491 nan 8.270 nan 0.000 0.424 123 A N 0.779 123.563 122.820 -0.060 0.000 1.883 123 A HA -0.206 4.121 4.320 0.013 0.000 0.217 123 A C 2.018 179.550 177.584 -0.088 0.000 1.186 123 A CA 1.500 53.497 52.037 -0.066 0.000 0.624 123 A CB -0.947 18.006 19.000 -0.077 0.000 0.822 123 A HN 0.506 nan 8.150 nan 0.000 0.444 124 L N -0.019 121.119 121.223 -0.141 0.000 2.012 124 L HA -0.151 4.196 4.340 0.013 0.000 0.210 124 L C 2.396 179.100 176.870 -0.277 0.000 1.073 124 L CA 2.216 56.878 54.840 -0.297 0.000 0.748 124 L CB -0.470 41.299 42.059 -0.484 0.000 0.891 124 L HN 0.173 nan 8.230 nan 0.000 0.431 125 V N -0.204 119.630 119.914 -0.132 0.000 2.323 125 V HA -0.209 3.919 4.120 0.013 0.000 0.244 125 V C 2.750 178.895 176.094 0.085 0.000 1.041 125 V CA 1.451 63.805 62.300 0.090 0.000 1.025 125 V CB -1.366 30.545 31.823 0.146 0.000 0.656 125 V HN 0.600 nan 8.190 nan 0.000 0.451 126 A N 0.835 123.672 122.820 0.028 0.000 1.851 126 A HA -0.264 4.064 4.320 0.013 0.000 0.216 126 A C 2.052 179.645 177.584 0.014 0.000 1.195 126 A CA 2.254 54.303 52.037 0.020 0.000 0.622 126 A CB -0.858 18.142 19.000 -0.001 0.000 0.831 126 A HN 0.569 nan 8.150 nan 0.000 0.444 127 N N 0.386 119.082 118.700 -0.007 0.000 2.205 127 N HA -0.114 4.634 4.740 0.013 0.000 0.186 127 N C 1.551 177.074 175.510 0.021 0.000 1.015 127 N CA 1.484 54.530 53.050 -0.007 0.000 0.862 127 N CB -0.516 37.953 38.487 -0.031 0.000 0.986 127 N HN 0.514 nan 8.380 nan 0.000 0.429 128 A N -0.213 122.644 122.820 0.062 0.000 2.208 128 A HA 0.366 4.694 4.320 0.013 0.000 0.209 128 A C 1.455 179.088 177.584 0.082 0.000 1.161 128 A CA 0.786 52.899 52.037 0.127 0.000 0.782 128 A CB -0.402 18.807 19.000 0.349 0.000 0.816 128 A HN 0.304 nan 8.150 nan 0.000 0.477 129 G N -1.035 107.798 108.800 0.055 0.000 2.176 129 G HA2 -0.222 3.746 3.960 0.013 0.000 0.252 129 G HA3 -0.222 3.746 3.960 0.013 0.000 0.252 129 G C 0.354 175.263 174.900 0.015 0.000 1.024 129 G CA 0.515 45.630 45.100 0.025 0.000 0.755 129 G HN 0.579 nan 8.290 nan 0.000 0.507 130 L N 0.004 121.260 121.223 0.054 0.000 3.014 130 L HA 0.177 4.525 4.340 0.013 0.000 0.263 130 L C 2.293 179.192 176.870 0.047 0.000 1.207 130 L CA 0.506 55.355 54.840 0.015 0.000 1.017 130 L CB 0.157 42.262 42.059 0.077 0.000 1.360 130 L HN 0.200 nan 8.230 nan 0.000 0.560 131 T N -0.708 113.888 114.554 0.069 0.000 2.759 131 T HA -0.154 4.204 4.350 0.013 0.000 0.269 131 T C 1.051 175.776 174.700 0.042 0.000 1.042 131 T CA 1.415 63.569 62.100 0.091 0.000 1.140 131 T CB -0.099 68.801 68.868 0.054 0.000 0.864 131 T HN 0.263 nan 8.240 nan 0.000 0.455 132 D N 0.845 121.231 120.400 -0.025 0.000 2.336 132 D HA 0.130 4.778 4.640 0.013 0.000 0.229 132 D C 1.358 177.580 176.300 -0.130 0.000 1.061 132 D CA 0.233 54.201 54.000 -0.053 0.000 0.875 132 D CB 0.004 40.774 40.800 -0.050 0.000 0.904 132 D HN 0.263 nan 8.370 nan 0.000 0.525 133 S N -0.457 115.090 115.700 -0.255 0.000 2.540 133 S HA 0.176 4.654 4.470 0.013 0.000 0.218 133 S C 0.030 174.208 174.600 -0.703 0.000 0.977 133 S CA -0.315 57.578 58.200 -0.512 0.000 0.918 133 S CB 0.524 63.289 63.200 -0.725 0.000 0.806 133 S HN 0.041 nan 8.310 nan 0.000 0.496 134 F N 1.372 121.298 119.950 -0.041 0.000 2.540 134 F HA 0.425 4.959 4.527 0.012 0.000 0.317 134 F C 0.647 176.442 175.800 -0.009 0.000 1.104 134 F CA -1.599 56.385 58.000 -0.027 0.000 0.913 134 F CB 1.307 40.291 39.000 -0.026 0.000 1.170 134 F HN -0.101 nan 8.300 nan 0.000 0.450 135 D N 1.754 122.271 120.400 0.195 0.000 2.323 135 D HA 0.224 4.872 4.640 0.013 0.000 0.209 135 D C 0.295 176.660 176.300 0.109 0.000 0.973 135 D CA 0.733 54.802 54.000 0.114 0.000 0.874 135 D CB 0.526 41.377 40.800 0.085 0.000 0.930 135 D HN 0.415 nan 8.370 nan 0.000 0.521 136 A N 0.157 123.058 122.820 0.134 0.000 2.540 136 A HA 0.468 4.796 4.320 0.013 0.000 0.297 136 A C -1.310 176.280 177.584 0.011 0.000 1.056 136 A CA -0.566 51.513 52.037 0.069 0.000 0.700 136 A CB 1.752 20.781 19.000 0.049 0.000 1.280 136 A HN -0.100 nan 8.150 nan 0.000 0.398 137 V N 3.707 123.606 119.914 -0.025 0.000 2.304 137 V HA 0.346 4.474 4.120 0.013 0.000 0.278 137 V C -0.438 175.617 176.094 -0.065 0.000 1.018 137 V CA -0.040 62.194 62.300 -0.110 0.000 0.814 137 V CB 0.691 32.452 31.823 -0.103 0.000 1.021 137 V HN 0.677 nan 8.190 nan 0.000 0.440 138 I N 3.565 124.095 120.570 -0.066 0.000 2.331 138 I HA 0.405 4.582 4.170 0.013 0.000 0.292 138 I C 0.534 176.635 176.117 -0.026 0.000 0.998 138 I CA 0.160 61.443 61.300 -0.029 0.000 1.267 138 I CB 1.629 39.624 38.000 -0.009 0.000 1.386 138 I HN 0.544 nan 8.210 nan 0.000 0.476 139 S N 4.467 120.161 115.700 -0.010 0.000 2.525 139 S HA 0.291 4.769 4.470 0.013 0.000 0.290 139 S C 1.000 175.594 174.600 -0.011 0.000 1.152 139 S CA -0.883 57.323 58.200 0.010 0.000 1.072 139 S CB 1.709 64.933 63.200 0.041 0.000 1.027 139 S HN 0.510 nan 8.310 nan 0.000 0.500 140 V N 2.010 121.919 119.914 -0.009 0.000 3.141 140 V HA 0.043 4.170 4.120 0.013 0.000 0.265 140 V C 1.684 177.686 176.094 -0.154 0.000 1.126 140 V CA 1.907 64.156 62.300 -0.085 0.000 1.141 140 V CB -1.147 30.635 31.823 -0.068 0.000 0.743 140 V HN 0.905 nan 8.190 nan 0.000 0.492 141 D N 1.820 122.192 120.400 -0.047 0.000 2.158 141 D HA -0.200 4.448 4.640 0.013 0.000 0.197 141 D C 2.111 178.295 176.300 -0.192 0.000 0.995 141 D CA 1.925 55.900 54.000 -0.041 0.000 0.846 141 D CB -0.190 40.680 40.800 0.117 0.000 0.941 141 D HN 0.554 nan 8.370 nan 0.000 0.456 142 A N 0.057 122.797 122.820 -0.134 0.000 1.972 142 A HA -0.160 4.168 4.320 0.013 0.000 0.219 142 A C 2.026 179.487 177.584 -0.206 0.000 1.169 142 A CA 1.260 53.218 52.037 -0.131 0.000 0.635 142 A CB -0.304 18.649 19.000 -0.078 0.000 0.810 142 A HN 0.089 nan 8.150 nan 0.000 0.446 143 K N -0.979 119.258 120.400 -0.271 0.000 2.400 143 K HA 0.067 4.394 4.320 0.013 0.000 0.194 143 K C 0.043 176.345 176.600 -0.495 0.000 1.033 143 K CA 0.268 56.369 56.287 -0.310 0.000 1.021 143 K CB -0.004 32.332 32.500 -0.274 0.000 0.808 143 K HN 0.564 nan 8.250 nan 0.000 0.505 144 R N 0.332 120.358 120.500 -0.790 0.000 3.416 144 R HA -0.151 4.197 4.340 0.013 0.000 0.263 144 R C 0.031 175.642 176.300 -1.148 0.000 1.053 144 R CA 0.704 55.927 56.100 -1.462 0.000 0.705 144 R CB -2.428 27.391 30.300 -0.802 0.000 1.124 144 R HN 0.185 nan 8.270 nan 0.000 0.444 145 V N -4.292 115.075 119.914 -0.912 0.000 3.182 145 V HA 0.886 5.014 4.120 0.013 0.000 0.308 145 V C -0.539 175.286 176.094 -0.447 0.000 1.240 145 V CA -1.164 60.823 62.300 -0.521 0.000 1.063 145 V CB 2.256 33.714 31.823 -0.608 0.000 1.076 145 V HN -0.022 nan 8.190 nan 0.000 0.446 146 F N 0.084 120.133 119.950 0.165 0.000 2.579 146 F HA 0.663 5.198 4.527 0.014 0.000 0.324 146 F C 0.604 176.540 175.800 0.227 0.000 1.058 146 F CA -1.051 57.076 58.000 0.212 0.000 0.944 146 F CB 1.863 41.041 39.000 0.296 0.000 1.245 146 F HN 0.486 nan 8.300 nan 0.000 0.477 147 K N 2.736 123.398 120.400 0.436 0.000 2.469 147 K HA 0.073 4.401 4.320 0.013 0.000 0.274 147 K C -1.937 175.043 176.600 0.634 0.000 0.983 147 K CA -0.953 55.564 56.287 0.383 0.000 0.974 147 K CB 0.219 32.939 32.500 0.368 0.000 0.913 147 K HN 0.283 nan 8.250 nan 0.000 0.493 148 P HA -0.034 nan 4.420 nan 0.000 0.254 148 P C -0.505 177.038 177.300 0.404 0.000 1.494 148 P CA 0.037 63.443 63.100 0.509 0.000 0.961 148 P CB 0.016 31.989 31.700 0.456 0.000 1.493 149 H N 3.506 122.700 119.070 0.206 0.000 3.034 149 H HA 0.022 4.585 4.556 0.013 0.000 0.324 149 H C -1.088 174.308 175.328 0.113 0.000 1.015 149 H CA -0.798 55.330 56.048 0.133 0.000 1.429 149 H CB 0.956 30.769 29.762 0.085 0.000 1.429 149 H HN 0.025 nan 8.280 nan 0.000 0.585 150 P HA -0.183 nan 4.420 nan 0.000 0.217 150 P C 1.008 178.425 177.300 0.195 0.000 1.148 150 P CA 1.100 64.372 63.100 0.287 0.000 0.828 150 P CB 0.418 32.271 31.700 0.255 0.000 0.783 151 D N -0.407 120.226 120.400 0.388 0.000 2.221 151 D HA -0.082 4.566 4.640 0.013 0.000 0.204 151 D C 2.018 178.268 176.300 -0.082 0.000 0.982 151 D CA 0.947 55.022 54.000 0.125 0.000 0.857 151 D CB -0.129 40.691 40.800 0.033 0.000 0.934 151 D HN 0.170 nan 8.370 nan 0.000 0.475 152 S N -0.045 115.561 115.700 -0.156 0.000 2.355 152 S HA -0.153 4.324 4.470 0.013 0.000 0.222 152 S C 1.785 176.129 174.600 -0.426 0.000 1.031 152 S CA 0.759 58.764 58.200 -0.326 0.000 0.993 152 S CB -0.348 62.589 63.200 -0.439 0.000 0.859 152 S HN 0.357 nan 8.310 nan 0.000 0.453 153 Y N 1.631 121.708 120.300 -0.372 0.000 2.439 153 Y HA 0.155 4.712 4.550 0.012 0.000 0.292 153 Y C 2.496 177.975 175.900 -0.702 0.000 1.130 153 Y CA 0.123 57.863 58.100 -0.601 0.000 1.254 153 Y CB -0.799 36.948 38.460 -1.189 0.000 1.000 153 Y HN 0.254 nan 8.280 nan 0.000 0.554 154 A N 0.253 122.744 122.820 -0.550 0.000 1.972 154 A HA -0.154 4.174 4.320 0.013 0.000 0.219 154 A C 2.168 179.791 177.584 0.066 0.000 1.169 154 A CA 1.294 53.303 52.037 -0.046 0.000 0.635 154 A CB -1.062 18.006 19.000 0.112 0.000 0.810 154 A HN 0.510 nan 8.150 nan 0.000 0.446 155 L N -0.520 120.703 121.223 0.001 0.000 2.127 155 L HA -0.197 4.151 4.340 0.013 0.000 0.211 155 L C 2.452 179.375 176.870 0.088 0.000 1.089 155 L CA 0.954 55.813 54.840 0.031 0.000 0.757 155 L CB -0.568 41.484 42.059 -0.013 0.000 0.899 155 L HN 0.267 nan 8.230 nan 0.000 0.434 156 V N -0.021 119.985 119.914 0.153 0.000 2.287 156 V HA -0.332 3.796 4.120 0.013 0.000 0.248 156 V C 2.474 178.673 176.094 0.174 0.000 1.053 156 V CA 2.248 64.654 62.300 0.176 0.000 1.027 156 V CB -0.477 31.497 31.823 0.252 0.000 0.646 156 V HN 0.536 nan 8.190 nan 0.000 0.447 157 E N 0.170 120.511 120.200 0.235 0.000 2.106 157 E HA -0.228 4.129 4.350 0.013 0.000 0.192 157 E C 2.140 178.818 176.600 0.130 0.000 0.984 157 E CA 1.355 57.872 56.400 0.196 0.000 0.806 157 E CB -0.138 29.706 29.700 0.240 0.000 0.750 157 E HN 0.687 nan 8.360 nan 0.000 0.458 158 E N -0.333 119.936 120.200 0.116 0.000 2.153 158 E HA -0.158 4.200 4.350 0.013 0.000 0.194 158 E C 1.948 178.585 176.600 0.062 0.000 0.988 158 E CA 1.269 57.716 56.400 0.078 0.000 0.811 158 E CB 0.281 30.018 29.700 0.061 0.000 0.746 158 E HN 0.199 nan 8.360 nan 0.000 0.466 159 V N 0.334 120.287 119.914 0.065 0.000 2.672 159 V HA -0.057 4.071 4.120 0.013 0.000 0.242 159 V C 1.903 178.030 176.094 0.055 0.000 1.059 159 V CA 0.784 63.115 62.300 0.051 0.000 1.081 159 V CB 0.042 31.891 31.823 0.044 0.000 0.752 159 V HN 0.210 nan 8.190 nan 0.000 0.472 160 L N 0.096 121.359 121.223 0.067 0.000 2.416 160 L HA 0.336 4.684 4.340 0.013 0.000 0.216 160 L C 1.880 178.789 176.870 0.065 0.000 1.098 160 L CA 1.022 55.900 54.840 0.063 0.000 0.840 160 L CB -0.174 41.924 42.059 0.065 0.000 0.981 160 L HN 0.567 nan 8.230 nan 0.000 0.462 161 G N 0.749 109.594 108.800 0.075 0.000 2.179 161 G HA2 -0.272 3.696 3.960 0.013 0.000 0.260 161 G HA3 -0.272 3.696 3.960 0.013 0.000 0.260 161 G C 0.406 175.354 174.900 0.079 0.000 0.977 161 G CA 0.321 45.464 45.100 0.071 0.000 0.641 161 G HN 0.249 nan 8.290 nan 0.000 0.533 162 V N -0.312 119.657 119.914 0.093 0.000 2.743 162 V HA 0.881 5.009 4.120 0.013 0.000 0.301 162 V C 0.774 176.957 176.094 0.147 0.000 1.057 162 V CA 0.103 62.463 62.300 0.101 0.000 1.006 162 V CB 1.294 33.169 31.823 0.086 0.000 1.024 162 V HN 1.088 nan 8.190 nan 0.000 0.473 163 T N 0.650 115.289 114.554 0.140 0.000 2.899 163 T HA 0.458 4.816 4.350 0.013 0.000 0.284 163 T C -1.699 173.156 174.700 0.258 0.000 1.004 163 T CA -1.539 60.664 62.100 0.171 0.000 1.043 163 T CB 1.115 70.045 68.868 0.103 0.000 1.013 163 T HN 0.554 nan 8.240 nan 0.000 0.518 164 P HA -0.112 nan 4.420 nan 0.000 0.217 164 P C 1.583 179.112 177.300 0.381 0.000 1.151 164 P CA 1.619 65.029 63.100 0.517 0.000 0.849 164 P CB -0.278 31.481 31.700 0.097 0.000 0.787 165 A N -0.343 122.587 122.820 0.183 0.000 2.070 165 A HA -0.185 4.143 4.320 0.013 0.000 0.220 165 A C 1.710 179.369 177.584 0.125 0.000 1.159 165 A CA 1.399 53.511 52.037 0.125 0.000 0.656 165 A CB -0.914 18.126 19.000 0.066 0.000 0.800 165 A HN 0.266 nan 8.150 nan 0.000 0.453 166 E N -0.687 119.593 120.200 0.133 0.000 2.465 166 E HA 0.233 4.590 4.350 0.013 0.000 0.195 166 E C -0.890 175.757 176.600 0.078 0.000 1.028 166 E CA -0.274 56.182 56.400 0.093 0.000 0.899 166 E CB 0.631 30.378 29.700 0.079 0.000 1.032 166 E HN 0.291 nan 8.360 nan 0.000 0.468 167 V N 1.962 121.935 119.914 0.097 0.000 2.459 167 V HA 0.235 4.362 4.120 0.013 0.000 0.295 167 V C -0.648 175.446 176.094 -0.000 0.000 1.029 167 V CA -0.950 61.337 62.300 -0.020 0.000 0.874 167 V CB 1.821 33.495 31.823 -0.250 0.000 0.985 167 V HN 0.105 nan 8.190 nan 0.000 0.438 168 L N 5.609 126.806 121.223 -0.043 0.000 2.262 168 L HA 0.557 4.905 4.340 0.013 0.000 0.288 168 L C -0.854 175.945 176.870 -0.117 0.000 1.035 168 L CA 0.080 54.910 54.840 -0.018 0.000 0.820 168 L CB 0.633 42.672 42.059 -0.033 0.000 1.204 168 L HN 0.533 nan 8.230 nan 0.000 0.424 169 F N 5.150 124.988 119.950 -0.187 0.000 2.404 169 F HA 0.618 5.153 4.527 0.012 0.000 0.345 169 F C -0.409 175.278 175.800 -0.189 0.000 1.110 169 F CA -0.235 57.634 58.000 -0.219 0.000 1.130 169 F CB 1.275 40.215 39.000 -0.099 0.000 1.129 169 F HN 0.205 nan 8.300 nan 0.000 0.500 170 V N 4.859 124.396 119.914 -0.628 0.000 2.448 170 V HA 0.604 4.731 4.120 0.013 0.000 0.295 170 V C -0.602 175.329 176.094 -0.273 0.000 1.025 170 V CA -0.490 61.552 62.300 -0.430 0.000 0.859 170 V CB 1.428 32.785 31.823 -0.778 0.000 0.988 170 V HN 0.774 nan 8.190 nan 0.000 0.431 171 S N 2.472 118.154 115.700 -0.031 0.000 2.537 171 S HA 0.443 4.921 4.470 0.013 0.000 0.270 171 S C 0.453 175.080 174.600 0.045 0.000 1.142 171 S CA -0.280 57.948 58.200 0.047 0.000 0.870 171 S CB 2.328 65.630 63.200 0.169 0.000 1.112 171 S HN 0.617 nan 8.310 nan 0.000 0.466 172 S N 2.130 117.865 115.700 0.058 0.000 2.548 172 S HA 0.230 4.708 4.470 0.013 0.000 0.215 172 S C 0.243 174.895 174.600 0.088 0.000 0.976 172 S CA -0.193 58.041 58.200 0.057 0.000 0.908 172 S CB -0.148 63.086 63.200 0.057 0.000 0.781 172 S HN 0.647 nan 8.310 nan 0.000 0.519 173 N N 1.608 120.353 118.700 0.076 0.000 2.426 173 N HA 0.211 4.959 4.740 0.013 0.000 0.257 173 N C 1.110 176.612 175.510 -0.013 0.000 1.002 173 N CA 0.001 53.097 53.050 0.076 0.000 0.942 173 N CB 1.586 40.075 38.487 0.002 0.000 1.112 173 N HN 0.255 nan 8.380 nan 0.000 0.499 174 G N 2.289 111.154 108.800 0.108 0.000 2.469 174 G HA2 -0.310 3.657 3.960 0.013 0.000 0.219 174 G HA3 -0.310 3.657 3.960 0.013 0.000 0.219 174 G C 1.171 176.104 174.900 0.054 0.000 1.150 174 G CA 0.827 45.966 45.100 0.066 0.000 0.763 174 G HN 0.666 nan 8.290 nan 0.000 0.561 175 F N 1.138 121.187 119.950 0.165 0.000 2.293 175 F HA 0.089 4.623 4.527 0.012 0.000 0.300 175 F C 1.751 177.681 175.800 0.216 0.000 1.086 175 F CA 1.289 59.407 58.000 0.197 0.000 1.375 175 F CB -0.475 38.646 39.000 0.201 0.000 1.045 175 F HN 0.157 nan 8.300 nan 0.000 0.516 176 D N 0.860 120.794 120.400 -0.778 0.000 2.162 176 D HA -0.103 4.544 4.640 0.013 0.000 0.203 176 D C 2.208 178.447 176.300 -0.102 0.000 0.967 176 D CA 1.060 54.815 54.000 -0.408 0.000 0.840 176 D CB -0.129 40.399 40.800 -0.453 0.000 0.972 176 D HN 0.164 nan 8.370 nan 0.000 0.482 177 V N 0.330 120.194 119.914 -0.083 0.000 2.332 177 V HA -0.156 3.972 4.120 0.013 0.000 0.248 177 V C 2.494 178.522 176.094 -0.110 0.000 1.055 177 V CA 1.987 64.260 62.300 -0.044 0.000 1.038 177 V CB -0.991 30.813 31.823 -0.032 0.000 0.651 177 V HN 0.360 nan 8.190 nan 0.000 0.450 178 G N -0.243 108.499 108.800 -0.098 0.000 2.402 178 G HA2 -0.125 3.843 3.960 0.013 0.000 0.216 178 G HA3 -0.125 3.843 3.960 0.013 0.000 0.216 178 G C 1.612 176.462 174.900 -0.084 0.000 1.162 178 G CA 0.884 45.931 45.100 -0.088 0.000 0.777 178 G HN 0.587 nan 8.290 nan 0.000 0.539 179 G N 0.975 109.735 108.800 -0.066 0.000 2.402 179 G HA2 0.099 4.066 3.960 0.013 0.000 0.216 179 G HA3 0.099 4.066 3.960 0.013 0.000 0.216 179 G C 2.033 176.426 174.900 -0.845 0.000 1.162 179 G CA 1.447 46.449 45.100 -0.164 0.000 0.777 179 G HN 0.613 nan 8.290 nan 0.000 0.539 180 A N 0.696 122.912 122.820 -1.008 0.000 1.902 180 A HA 0.029 4.357 4.320 0.013 0.000 0.217 180 A C 2.386 179.672 177.584 -0.497 0.000 1.181 180 A CA 1.821 53.210 52.037 -1.081 0.000 0.623 180 A CB -0.255 18.231 19.000 -0.857 0.000 0.818 180 A HN 0.192 nan 8.150 nan 0.000 0.443 181 K N 0.063 120.285 120.400 -0.297 0.000 2.025 181 K HA -0.160 4.168 4.320 0.013 0.000 0.207 181 K C 1.824 178.306 176.600 -0.197 0.000 1.049 181 K CA 1.637 57.814 56.287 -0.183 0.000 0.933 181 K CB -0.768 31.651 32.500 -0.135 0.000 0.714 181 K HN 0.600 nan 8.250 nan 0.000 0.438 182 N N 0.568 119.154 118.700 -0.190 0.000 2.205 182 N HA -0.185 4.562 4.740 0.013 0.000 0.186 182 N C 1.557 176.960 175.510 -0.178 0.000 1.015 182 N CA 1.054 54.019 53.050 -0.142 0.000 0.862 182 N CB -0.278 38.162 38.487 -0.078 0.000 0.986 182 N HN 0.102 nan 8.380 nan 0.000 0.429 183 F N -0.665 119.019 119.950 -0.443 0.000 2.367 183 F HA 0.221 4.756 4.527 0.013 0.000 0.298 183 F C 1.673 177.164 175.800 -0.514 0.000 1.094 183 F CA 1.336 59.034 58.000 -0.504 0.000 1.409 183 F CB 0.114 38.658 39.000 -0.760 0.000 1.064 183 F HN 0.187 nan 8.300 nan 0.000 0.528 184 G N -1.260 107.285 108.800 -0.425 0.000 2.227 184 G HA2 -0.178 3.790 3.960 0.013 0.000 0.168 184 G HA3 -0.178 3.790 3.960 0.013 0.000 0.168 184 G C 0.108 174.936 174.900 -0.119 0.000 1.006 184 G CA -0.351 44.558 45.100 -0.318 0.000 0.684 184 G HN 0.083 nan 8.290 nan 0.000 0.489 185 F N 2.276 122.218 119.950 -0.014 0.000 2.406 185 F HA 0.666 5.201 4.527 0.013 0.000 0.327 185 F C 1.254 177.051 175.800 -0.005 0.000 1.153 185 F CA -0.694 57.321 58.000 0.025 0.000 1.218 185 F CB 0.926 39.952 39.000 0.043 0.000 1.215 185 F HN -0.020 nan 8.300 nan 0.000 0.570 186 S N 0.603 116.454 115.700 0.250 0.000 2.565 186 S HA 0.552 5.030 4.470 0.013 0.000 0.276 186 S C -0.502 174.197 174.600 0.165 0.000 1.326 186 S CA -0.643 57.639 58.200 0.135 0.000 1.045 186 S CB 1.109 64.399 63.200 0.151 0.000 0.918 186 S HN 0.317 nan 8.310 nan 0.000 0.505 187 V N 1.819 121.786 119.914 0.090 0.000 2.638 187 V HA 0.716 4.844 4.120 0.013 0.000 0.306 187 V C -0.261 175.910 176.094 0.130 0.000 1.052 187 V CA -0.866 61.510 62.300 0.127 0.000 0.885 187 V CB 1.731 33.607 31.823 0.089 0.000 0.999 187 V HN 0.950 nan 8.190 nan 0.000 0.424 188 A N 4.682 127.591 122.820 0.148 0.000 2.267 188 A HA 0.722 5.050 4.320 0.013 0.000 0.315 188 A C -0.093 177.530 177.584 0.064 0.000 1.297 188 A CA -0.597 51.535 52.037 0.157 0.000 0.865 188 A CB 0.491 19.556 19.000 0.109 0.000 1.165 188 A HN 0.865 nan 8.150 nan 0.000 0.513 189 R N 2.667 123.204 120.500 0.062 0.000 2.308 189 R HA 0.489 4.837 4.340 0.013 0.000 0.305 189 R C -1.283 175.028 176.300 0.020 0.000 1.053 189 R CA -0.267 55.853 56.100 0.034 0.000 0.957 189 R CB 0.806 31.120 30.300 0.023 0.000 1.022 189 R HN 0.400 nan 8.270 nan 0.000 0.461 190 V N 4.393 124.308 119.914 0.002 0.000 2.334 190 V HA 0.369 4.496 4.120 0.013 0.000 0.267 190 V C 0.011 176.092 176.094 -0.021 0.000 1.040 190 V CA -0.540 61.746 62.300 -0.023 0.000 0.866 190 V CB 0.960 32.750 31.823 -0.055 0.000 1.019 190 V HN 0.878 nan 8.190 nan 0.000 0.468 191 A N 5.678 128.489 122.820 -0.014 0.000 2.412 191 A HA 0.491 4.819 4.320 0.013 0.000 0.334 191 A C 1.019 178.594 177.584 -0.014 0.000 1.419 191 A CA -0.532 51.504 52.037 -0.003 0.000 0.930 191 A CB 0.132 19.138 19.000 0.009 0.000 1.149 191 A HN 0.831 nan 8.150 nan 0.000 0.515 192 R N 0.874 121.360 120.500 -0.023 0.000 2.276 192 R HA 0.076 4.424 4.340 0.013 0.000 0.196 192 R C -0.258 176.047 176.300 0.008 0.000 0.961 192 R CA 0.272 56.355 56.100 -0.028 0.000 1.024 192 R CB 0.055 30.318 30.300 -0.063 0.000 0.940 192 R HN 0.523 nan 8.270 nan 0.000 0.480 193 L N 1.318 122.555 121.223 0.024 0.000 2.294 193 L HA 0.273 4.621 4.340 0.013 0.000 0.283 193 L C -0.671 176.217 176.870 0.030 0.000 1.015 193 L CA -0.306 54.555 54.840 0.036 0.000 0.831 193 L CB 1.832 43.923 42.059 0.053 0.000 1.217 193 L HN -0.128 nan 8.230 nan 0.000 0.420 194 S N 3.838 119.554 115.700 0.026 0.000 2.533 194 S HA 0.085 4.563 4.470 0.013 0.000 0.282 194 S C 1.078 175.693 174.600 0.025 0.000 1.304 194 S CA -0.372 57.841 58.200 0.022 0.000 1.063 194 S CB 0.907 64.119 63.200 0.019 0.000 0.881 194 S HN 0.754 nan 8.310 nan 0.000 0.493 195 Q N 1.818 121.632 119.800 0.023 0.000 2.112 195 Q HA -0.223 4.125 4.340 0.013 0.000 0.206 195 Q C 2.196 178.210 176.000 0.023 0.000 0.987 195 Q CA 1.627 57.444 55.803 0.023 0.000 0.858 195 Q CB -0.154 28.595 28.738 0.018 0.000 0.905 195 Q HN 0.848 nan 8.270 nan 0.000 0.420 196 E N 0.400 120.612 120.200 0.020 0.000 2.150 196 E HA -0.144 4.214 4.350 0.013 0.000 0.193 196 E C 1.809 178.422 176.600 0.022 0.000 0.985 196 E CA 1.173 57.584 56.400 0.019 0.000 0.814 196 E CB -0.170 29.539 29.700 0.016 0.000 0.752 196 E HN 0.299 nan 8.360 nan 0.000 0.466 197 A N 1.769 124.604 122.820 0.024 0.000 1.897 197 A HA -0.053 4.274 4.320 0.013 0.000 0.215 197 A C 2.263 179.866 177.584 0.032 0.000 1.181 197 A CA 1.205 53.259 52.037 0.028 0.000 0.620 197 A CB -0.616 18.402 19.000 0.030 0.000 0.821 197 A HN 0.264 nan 8.150 nan 0.000 0.443 198 L N 0.027 121.271 121.223 0.035 0.000 2.017 198 L HA -0.077 4.270 4.340 0.013 0.000 0.208 198 L C 2.648 179.538 176.870 0.034 0.000 1.073 198 L CA 2.294 57.158 54.840 0.040 0.000 0.745 198 L CB -0.921 41.164 42.059 0.043 0.000 0.894 198 L HN 0.345 nan 8.230 nan 0.000 0.432 199 A N -0.286 122.551 122.820 0.029 0.000 1.892 199 A HA -0.262 4.066 4.320 0.013 0.000 0.218 199 A C 2.451 180.050 177.584 0.024 0.000 1.188 199 A CA 2.142 54.194 52.037 0.025 0.000 0.631 199 A CB -0.618 18.395 19.000 0.021 0.000 0.822 199 A HN 0.543 nan 8.150 nan 0.000 0.447 200 R N -1.007 119.508 120.500 0.024 0.000 2.092 200 R HA -0.094 4.253 4.340 0.013 0.000 0.231 200 R C 2.297 178.613 176.300 0.027 0.000 1.119 200 R CA 1.257 57.371 56.100 0.023 0.000 0.970 200 R CB -0.265 30.048 30.300 0.022 0.000 0.864 200 R HN 0.786 nan 8.270 nan 0.000 0.440 201 E N 1.122 121.341 120.200 0.031 0.000 2.077 201 E HA -0.162 4.195 4.350 0.013 0.000 0.193 201 E C 1.817 178.438 176.600 0.036 0.000 0.989 201 E CA 0.844 57.265 56.400 0.036 0.000 0.800 201 E CB 0.037 29.763 29.700 0.043 0.000 0.746 201 E HN 0.274 nan 8.360 nan 0.000 0.452 202 L N 0.504 121.748 121.223 0.034 0.000 2.456 202 L HA -0.097 4.250 4.340 0.013 0.000 0.224 202 L C 1.892 178.778 176.870 0.026 0.000 1.148 202 L CA 0.535 55.394 54.840 0.031 0.000 0.825 202 L CB 0.153 42.229 42.059 0.028 0.000 0.937 202 L HN 0.214 nan 8.230 nan 0.000 0.450 203 V N -5.594 114.334 119.914 0.024 0.000 3.253 203 V HA 0.157 4.284 4.120 0.013 0.000 0.320 203 V C 1.548 177.655 176.094 0.021 0.000 1.442 203 V CA 0.320 62.632 62.300 0.021 0.000 1.097 203 V CB 0.210 32.044 31.823 0.018 0.000 1.008 203 V HN 0.316 nan 8.190 nan 0.000 0.463 204 S N 0.411 116.126 115.700 0.024 0.000 2.851 204 S HA 0.558 5.035 4.470 0.013 0.000 0.227 204 S C 1.055 175.670 174.600 0.024 0.000 0.958 204 S CA 0.676 58.890 58.200 0.024 0.000 0.990 204 S CB -0.792 62.425 63.200 0.027 0.000 0.790 204 S HN 1.925 nan 8.310 nan 0.000 0.509 205 G N 0.462 109.276 108.800 0.023 0.000 2.378 205 G HA2 -0.091 3.877 3.960 0.013 0.000 0.198 205 G HA3 -0.091 3.877 3.960 0.013 0.000 0.198 205 G C -0.413 174.502 174.900 0.024 0.000 1.223 205 G CA -0.554 44.559 45.100 0.022 0.000 1.088 205 G HN 0.484 nan 8.290 nan 0.000 0.530 206 T N 1.211 115.779 114.554 0.025 0.000 2.908 206 T HA 0.363 4.720 4.350 0.013 0.000 0.301 206 T C 0.957 175.677 174.700 0.034 0.000 1.019 206 T CA 0.595 62.711 62.100 0.027 0.000 1.152 206 T CB 0.051 68.934 68.868 0.027 0.000 0.966 206 T HN 0.543 nan 8.240 nan 0.000 0.540 207 I N 3.248 123.839 120.570 0.035 0.000 2.379 207 I HA 0.321 4.499 4.170 0.013 0.000 0.290 207 I C 0.988 177.140 176.117 0.058 0.000 1.063 207 I CA -0.566 60.760 61.300 0.044 0.000 1.351 207 I CB 0.418 38.440 38.000 0.037 0.000 1.410 207 I HN 0.645 nan 8.210 nan 0.000 0.505 208 A N 8.638 131.500 122.820 0.070 0.000 2.332 208 A HA 0.403 4.731 4.320 0.013 0.000 0.258 208 A C -1.643 176.017 177.584 0.127 0.000 1.087 208 A CA -1.211 50.879 52.037 0.088 0.000 0.802 208 A CB 0.019 19.069 19.000 0.083 0.000 1.042 208 A HN 0.500 nan 8.150 nan 0.000 0.489 209 P HA -0.199 nan 4.420 nan 0.000 0.213 209 P C 1.662 179.173 177.300 0.351 0.000 1.176 209 P CA 1.092 64.353 63.100 0.268 0.000 0.919 209 P CB -0.008 31.852 31.700 0.266 0.000 0.791 210 L N -0.882 120.494 121.223 0.254 0.000 2.129 210 L HA -0.187 4.161 4.340 0.013 0.000 0.212 210 L C 1.931 178.951 176.870 0.249 0.000 1.087 210 L CA 2.185 57.169 54.840 0.241 0.000 0.757 210 L CB -1.651 40.486 42.059 0.130 0.000 0.896 210 L HN -0.004 nan 8.230 nan 0.000 0.434 211 T N -0.928 113.734 114.554 0.180 0.000 2.821 211 T HA -0.158 4.200 4.350 0.013 0.000 0.267 211 T C 1.945 176.716 174.700 0.118 0.000 1.046 211 T CA 1.516 63.695 62.100 0.131 0.000 1.139 211 T CB -0.168 68.754 68.868 0.090 0.000 0.871 211 T HN 0.209 nan 8.240 nan 0.000 0.454 212 M N 0.747 120.410 119.600 0.105 0.000 2.073 212 M HA -0.025 4.463 4.480 0.013 0.000 0.258 212 M C 2.030 178.269 176.300 -0.103 0.000 1.070 212 M CA 1.643 56.916 55.300 -0.046 0.000 1.103 212 M CB -1.535 30.959 32.600 -0.178 0.000 1.321 212 M HN 0.269 nan 8.290 nan 0.000 0.405 213 F N 0.613 120.600 119.950 0.061 0.000 2.146 213 F HA -0.112 4.420 4.527 0.009 0.000 0.298 213 F C 2.410 178.254 175.800 0.074 0.000 1.096 213 F CA 1.126 59.163 58.000 0.062 0.000 1.275 213 F CB -0.770 38.260 39.000 0.050 0.000 1.008 213 F HN 0.158 nan 8.300 nan 0.000 0.480 214 K N 0.352 120.902 120.400 0.249 0.000 2.074 214 K HA -0.206 4.121 4.320 0.013 0.000 0.209 214 K C 2.304 178.978 176.600 0.123 0.000 1.048 214 K CA 1.440 57.827 56.287 0.167 0.000 0.926 214 K CB -0.609 31.972 32.500 0.134 0.000 0.713 214 K HN 0.259 nan 8.250 nan 0.000 0.444 215 A N 1.058 123.932 122.820 0.090 0.000 2.019 215 A HA -0.098 4.229 4.320 0.013 0.000 0.219 215 A C 2.000 179.618 177.584 0.057 0.000 1.164 215 A CA 1.201 53.272 52.037 0.057 0.000 0.644 215 A CB -0.398 18.619 19.000 0.027 0.000 0.805 215 A HN 0.178 nan 8.150 nan 0.000 0.449 216 L N -2.070 119.187 121.223 0.056 0.000 2.375 216 L HA 0.093 4.441 4.340 0.013 0.000 0.215 216 L C 2.284 179.243 176.870 0.148 0.000 1.108 216 L CA 0.424 55.306 54.840 0.070 0.000 0.830 216 L CB -0.074 41.989 42.059 0.006 0.000 0.959 216 L HN 0.238 nan 8.230 nan 0.000 0.457 217 R N -1.027 119.576 120.500 0.173 0.000 2.517 217 R HA 0.265 4.613 4.340 0.013 0.000 0.265 217 R C 0.881 177.301 176.300 0.201 0.000 0.921 217 R CA 0.204 56.438 56.100 0.224 0.000 1.054 217 R CB 0.782 31.230 30.300 0.248 0.000 1.340 217 R HN 0.195 nan 8.270 nan 0.000 0.551 218 M N 0.882 120.574 119.600 0.153 0.000 2.576 218 M HA 0.286 4.774 4.480 0.013 0.000 0.322 218 M C -0.177 176.179 176.300 0.093 0.000 1.184 218 M CA 0.168 55.543 55.300 0.125 0.000 0.967 218 M CB 0.350 33.017 32.600 0.112 0.000 1.372 218 M HN -0.232 nan 8.290 nan 0.000 0.509 219 R N 0.567 121.122 120.500 0.092 0.000 2.892 219 R HA 0.551 4.898 4.340 0.013 0.000 0.265 219 R C -0.244 176.085 176.300 0.048 0.000 1.025 219 R CA -0.677 55.459 56.100 0.060 0.000 0.982 219 R CB 1.041 31.372 30.300 0.052 0.000 1.185 219 R HN 0.205 nan 8.270 nan 0.000 0.484 220 E N 1.825 122.032 120.200 0.013 0.000 2.392 220 E HA 0.024 4.381 4.350 0.013 0.000 0.264 220 E C -0.342 176.228 176.600 -0.049 0.000 1.024 220 E CA 0.022 56.406 56.400 -0.026 0.000 0.903 220 E CB 0.670 30.343 29.700 -0.045 0.000 0.963 220 E HN 0.148 nan 8.360 nan 0.000 0.432 221 E N 1.522 121.647 120.200 -0.125 0.000 2.249 221 E HA 0.021 4.379 4.350 0.013 0.000 0.280 221 E C 0.911 177.339 176.600 -0.286 0.000 1.016 221 E CA -0.059 56.230 56.400 -0.185 0.000 0.830 221 E CB 1.371 30.891 29.700 -0.299 0.000 1.081 221 E HN 0.646 nan 8.360 nan 0.000 0.395 222 T N -0.517 113.963 114.554 -0.124 0.000 2.915 222 T HA -0.209 4.149 4.350 0.013 0.000 0.269 222 T C 1.720 176.370 174.700 -0.083 0.000 1.071 222 T CA 1.236 63.291 62.100 -0.076 0.000 1.132 222 T CB -0.477 68.395 68.868 0.007 0.000 0.878 222 T HN 0.596 nan 8.240 nan 0.000 0.479 223 Y N 1.930 122.222 120.300 -0.013 0.000 2.561 223 Y HA 0.665 5.222 4.550 0.012 0.000 0.291 223 Y C 0.989 176.873 175.900 -0.027 0.000 1.141 223 Y CA -1.194 56.892 58.100 -0.023 0.000 1.303 223 Y CB -0.717 37.724 38.460 -0.031 0.000 1.015 223 Y HN 0.351 nan 8.280 nan 0.000 0.547 224 A N 1.460 123.868 122.820 -0.686 0.000 2.293 224 A HA 0.286 4.613 4.320 0.013 0.000 0.302 224 A C -0.210 177.241 177.584 -0.222 0.000 1.119 224 A CA -0.661 51.080 52.037 -0.494 0.000 0.823 224 A CB 0.287 18.888 19.000 -0.665 0.000 1.097 224 A HN 0.509 nan 8.150 nan 0.000 0.491 225 E N 1.285 121.400 120.200 -0.142 0.000 2.392 225 E HA 0.420 4.778 4.350 0.013 0.000 0.264 225 E C 0.398 176.925 176.600 -0.122 0.000 1.024 225 E CA -0.170 56.163 56.400 -0.112 0.000 0.903 225 E CB 0.675 30.318 29.700 -0.096 0.000 0.963 225 E HN 0.813 nan 8.360 nan 0.000 0.432 226 A N 5.578 128.333 122.820 -0.107 0.000 2.425 226 A HA 0.273 4.601 4.320 0.013 0.000 0.242 226 A C -2.087 175.432 177.584 -0.109 0.000 1.077 226 A CA -1.073 50.903 52.037 -0.102 0.000 0.781 226 A CB -0.126 18.820 19.000 -0.089 0.000 1.020 226 A HN 0.611 nan 8.150 nan 0.000 0.494 227 P HA 0.151 nan 4.420 nan 0.000 0.274 227 P C -0.596 176.591 177.300 -0.187 0.000 1.237 227 P CA -0.051 62.988 63.100 -0.102 0.000 0.793 227 P CB 0.681 32.352 31.700 -0.047 0.000 0.977 228 D N 0.073 120.289 120.400 -0.308 0.000 2.144 228 D HA -0.017 4.631 4.640 0.013 0.000 0.200 228 D C 0.016 175.788 176.300 -0.881 0.000 0.978 228 D CA 1.728 55.325 54.000 -0.672 0.000 0.833 228 D CB -0.256 39.968 40.800 -0.960 0.000 0.961 228 D HN 0.336 nan 8.370 nan 0.000 0.470 229 F N -0.786 119.155 119.950 -0.015 0.000 2.599 229 F HA 0.535 5.069 4.527 0.012 0.000 0.311 229 F C -0.571 175.216 175.800 -0.021 0.000 1.076 229 F CA -1.369 56.619 58.000 -0.019 0.000 0.937 229 F CB 1.695 40.681 39.000 -0.023 0.000 1.282 229 F HN -0.443 nan 8.300 nan 0.000 0.460 230 V N 2.847 122.861 119.914 0.168 0.000 2.525 230 V HA 0.688 4.815 4.120 0.013 0.000 0.299 230 V C -0.745 175.389 176.094 0.065 0.000 1.034 230 V CA -0.858 61.493 62.300 0.085 0.000 0.863 230 V CB 1.700 33.548 31.823 0.043 0.000 0.999 230 V HN 0.709 nan 8.190 nan 0.000 0.423 231 V N 3.179 123.115 119.914 0.038 0.000 2.919 231 V HA 0.697 4.825 4.120 0.013 0.000 0.316 231 V C -1.919 174.170 176.094 -0.008 0.000 1.077 231 V CA -1.893 60.413 62.300 0.009 0.000 0.977 231 V CB 2.210 34.028 31.823 -0.009 0.000 1.039 231 V HN 0.580 nan 8.190 nan 0.000 0.441 232 P HA 0.316 nan 4.420 nan 0.000 0.240 232 P C 0.231 177.500 177.300 -0.052 0.000 1.190 232 P CA 0.937 64.021 63.100 -0.026 0.000 0.781 232 P CB 0.735 32.425 31.700 -0.016 0.000 0.931 233 A N -0.910 121.879 122.820 -0.052 0.000 2.604 233 A HA 0.398 4.726 4.320 0.013 0.000 0.295 233 A C 0.701 178.255 177.584 -0.050 0.000 1.067 233 A CA -0.568 51.426 52.037 -0.072 0.000 0.683 233 A CB 0.049 19.016 19.000 -0.055 0.000 1.281 233 A HN -0.096 nan 8.150 nan 0.000 0.407 234 L N 1.316 122.507 121.223 -0.052 0.000 2.081 234 L HA -0.161 4.187 4.340 0.013 0.000 0.212 234 L C 2.605 179.479 176.870 0.007 0.000 1.080 234 L CA 1.959 56.803 54.840 0.007 0.000 0.754 234 L CB -0.362 41.704 42.059 0.013 0.000 0.893 234 L HN 0.985 nan 8.230 nan 0.000 0.433 235 G N -0.745 108.045 108.800 -0.016 0.000 2.470 235 G HA2 -0.213 3.755 3.960 0.013 0.000 0.220 235 G HA3 -0.213 3.755 3.960 0.013 0.000 0.220 235 G C 1.074 175.960 174.900 -0.022 0.000 1.121 235 G CA 0.679 45.768 45.100 -0.019 0.000 0.766 235 G HN 0.364 nan 8.290 nan 0.000 0.553 236 D N 0.062 120.446 120.400 -0.026 0.000 2.349 236 D HA 0.072 4.720 4.640 0.013 0.000 0.224 236 D C 2.396 178.665 176.300 -0.051 0.000 1.029 236 D CA -0.058 53.920 54.000 -0.037 0.000 0.879 236 D CB 0.350 41.129 40.800 -0.035 0.000 0.906 236 D HN 0.303 nan 8.370 nan 0.000 0.528 237 L N 0.853 122.054 121.223 -0.036 0.000 2.005 237 L HA -0.093 4.255 4.340 0.013 0.000 0.207 237 L C -0.418 176.412 176.870 -0.066 0.000 1.072 237 L CA 1.332 56.140 54.840 -0.053 0.000 0.744 237 L CB -1.411 40.647 42.059 -0.001 0.000 0.895 237 L HN -0.016 nan 8.230 nan 0.000 0.433 238 P HA -0.229 nan 4.420 nan 0.000 0.215 238 P C 1.421 178.683 177.300 -0.064 0.000 1.157 238 P CA 1.480 64.555 63.100 -0.042 0.000 0.874 238 P CB -0.086 31.596 31.700 -0.030 0.000 0.790 239 R N -0.579 119.882 120.500 -0.065 0.000 2.148 239 R HA -0.100 4.248 4.340 0.013 0.000 0.227 239 R C 2.073 178.308 176.300 -0.108 0.000 1.103 239 R CA 0.809 56.866 56.100 -0.072 0.000 0.983 239 R CB -0.844 29.422 30.300 -0.057 0.000 0.874 239 R HN 0.096 nan 8.270 nan 0.000 0.451 240 L N 0.263 121.398 121.223 -0.146 0.000 2.056 240 L HA -0.085 4.263 4.340 0.013 0.000 0.207 240 L C 1.901 178.600 176.870 -0.284 0.000 1.078 240 L CA 1.487 56.175 54.840 -0.252 0.000 0.749 240 L CB -0.223 41.650 42.059 -0.310 0.000 0.901 240 L HN -0.026 nan 8.230 nan 0.000 0.433 241 V N 0.065 119.858 119.914 -0.203 0.000 2.427 241 V HA -0.176 3.952 4.120 0.013 0.000 0.248 241 V C 2.753 178.781 176.094 -0.110 0.000 1.051 241 V CA 1.234 63.439 62.300 -0.159 0.000 1.048 241 V CB -0.871 30.892 31.823 -0.101 0.000 0.666 241 V HN 0.396 nan 8.190 nan 0.000 0.456 242 R N 1.303 121.749 120.500 -0.091 0.000 2.126 242 R HA -0.093 4.254 4.340 0.013 0.000 0.224 242 R C 2.089 178.350 176.300 -0.065 0.000 1.128 242 R CA 1.670 57.732 56.100 -0.064 0.000 0.895 242 R CB -1.631 28.636 30.300 -0.054 0.000 0.817 242 R HN 0.506 nan 8.270 nan 0.000 0.435 243 G N 0.818 109.574 108.800 -0.073 0.000 3.397 243 G HA2 0.095 4.062 3.960 0.013 0.000 0.248 243 G HA3 0.095 4.062 3.960 0.013 0.000 0.248 243 G C 0.943 175.795 174.900 -0.079 0.000 1.284 243 G CA -0.113 44.951 45.100 -0.061 0.000 1.570 243 G HN 0.229 nan 8.290 nan 0.000 0.587 244 M N 0.319 119.864 119.600 -0.092 0.000 2.697 244 M HA 0.560 5.048 4.480 0.013 0.000 0.221 244 M C 1.766 178.062 176.300 -0.006 0.000 1.309 244 M CA 0.294 55.533 55.300 -0.101 0.000 1.296 244 M CB 0.140 32.633 32.600 -0.177 0.000 1.101 244 M HN 0.189 nan 8.290 nan 0.000 0.516 245 A N 0.000 122.820 122.820 0.000 0.000 2.254 245 A HA 0.000 4.328 4.320 0.013 0.000 0.244 245 A CA 0.000 52.052 52.037 0.025 0.000 0.836 245 A CB 0.000 19.012 19.000 0.021 0.000 0.831 245 A HN 0.000 nan 8.150 nan 0.000 0.486