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 2ijf_1_A DATA FIRST_RESID 1 DATA SEQUENCE GEIQWMRPSK EVGYPIINAP SKTKLEPSAF HYVFEGVKEP AVLTKNDPRL DATA SEQUENCE KTDFEEAIFS KYVSNKITEV 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 STLYDRWLDS 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 0.000 174.983 174.900 0.139 0.000 0.946 1 G CA 0.000 45.200 45.100 0.166 0.000 0.502 2 E N 2.733 122.932 120.200 -0.002 0.000 2.343 2 E HA 0.356 4.706 4.350 0.001 0.000 0.286 2 E C -0.653 175.813 176.600 -0.223 0.000 0.915 2 E CA -0.840 55.521 56.400 -0.065 0.000 0.784 2 E CB 1.825 31.500 29.700 -0.043 0.000 1.251 2 E HN 0.451 nan 8.360 nan 0.000 0.407 3 I N 4.479 124.884 120.570 -0.276 0.000 2.533 3 I HA -0.024 4.147 4.170 0.001 0.000 0.284 3 I C 1.371 177.351 176.117 -0.229 0.000 1.109 3 I CA -0.080 61.012 61.300 -0.346 0.000 1.412 3 I CB 1.005 38.768 38.000 -0.395 0.000 1.396 3 I HN 0.572 nan 8.210 nan 0.000 0.543 4 Q N 6.544 126.179 119.800 -0.276 0.000 2.204 4 Q HA 0.071 4.412 4.340 0.001 0.000 0.198 4 Q C -0.266 175.773 176.000 0.065 0.000 0.946 4 Q CA 1.017 56.750 55.803 -0.117 0.000 0.859 4 Q CB 0.599 29.280 28.738 -0.094 0.000 0.946 4 Q HN 0.774 nan 8.270 nan 0.000 0.474 5 W N -1.554 119.728 121.300 -0.030 0.000 3.161 5 W HA 0.627 5.288 4.660 0.002 0.000 0.314 5 W C -1.644 174.868 176.519 -0.012 0.000 1.245 5 W CA -0.922 56.408 57.345 -0.025 0.000 1.191 5 W CB 0.359 29.817 29.460 -0.004 0.000 1.392 5 W HN -0.124 nan 8.180 nan 0.000 0.568 6 M N 3.120 122.913 119.600 0.323 0.000 2.465 6 M HA 0.683 5.163 4.480 0.001 0.000 0.284 6 M C -1.423 175.025 176.300 0.248 0.000 1.212 6 M CA -0.416 55.007 55.300 0.205 0.000 0.910 6 M CB 2.854 35.392 32.600 -0.102 0.000 1.725 6 M HN 0.661 nan 8.290 nan 0.000 0.477 7 R N 1.700 122.349 120.500 0.248 0.000 2.780 7 R HA 0.576 4.916 4.340 0.001 0.000 0.280 7 R C -3.331 173.068 176.300 0.165 0.000 1.016 7 R CA -1.602 54.605 56.100 0.178 0.000 0.854 7 R CB 0.142 30.541 30.300 0.166 0.000 1.293 7 R HN 0.290 nan 8.270 nan 0.000 0.483 8 P HA 0.067 nan 4.420 nan 0.000 0.262 8 P C 0.070 177.452 177.300 0.137 0.000 1.199 8 P CA 0.257 63.424 63.100 0.111 0.000 0.763 8 P CB 0.957 32.706 31.700 0.081 0.000 0.790 9 S N 3.579 119.365 115.700 0.144 0.000 2.402 9 S HA -0.238 4.233 4.470 0.001 0.000 0.233 9 S C 1.581 176.296 174.600 0.191 0.000 1.030 9 S CA 1.621 59.932 58.200 0.184 0.000 1.003 9 S CB -0.490 62.802 63.200 0.153 0.000 0.813 9 S HN 0.619 nan 8.310 nan 0.000 0.477 10 K N 1.621 122.097 120.400 0.128 0.000 2.097 10 K HA -0.080 4.241 4.320 0.001 0.000 0.206 10 K C 1.582 178.228 176.600 0.077 0.000 1.049 10 K CA 1.496 57.839 56.287 0.094 0.000 0.933 10 K CB -0.342 32.199 32.500 0.068 0.000 0.717 10 K HN 0.337 nan 8.250 nan 0.000 0.442 11 E N 1.055 121.303 120.200 0.080 0.000 2.204 11 E HA -0.121 4.230 4.350 0.001 0.000 0.195 11 E C 1.455 178.085 176.600 0.049 0.000 0.990 11 E CA 1.533 57.963 56.400 0.051 0.000 0.821 11 E CB 0.089 29.814 29.700 0.042 0.000 0.750 11 E HN 0.430 nan 8.360 nan 0.000 0.477 12 V N -3.470 116.509 119.914 0.109 0.000 3.214 12 V HA 0.491 4.611 4.120 0.001 0.000 0.330 12 V C 0.838 176.978 176.094 0.076 0.000 1.403 12 V CA 0.039 62.412 62.300 0.122 0.000 1.143 12 V CB 0.014 31.970 31.823 0.221 0.000 1.098 12 V HN 0.182 nan 8.190 nan 0.000 0.463 13 G N 0.109 108.923 108.800 0.023 0.000 2.225 13 G HA2 -0.289 3.672 3.960 0.001 0.000 0.264 13 G HA3 -0.289 3.672 3.960 0.001 0.000 0.264 13 G C -0.446 174.325 174.900 -0.215 0.000 1.060 13 G CA 0.583 45.627 45.100 -0.093 0.000 0.833 13 G HN 0.671 nan 8.290 nan 0.000 0.498 14 Y N -0.002 120.328 120.300 0.050 0.000 2.468 14 Y HA 0.619 5.170 4.550 0.002 0.000 0.342 14 Y C -1.565 174.370 175.900 0.059 0.000 1.021 14 Y CA -2.128 55.994 58.100 0.037 0.000 1.079 14 Y CB 2.316 40.740 38.460 -0.060 0.000 1.226 14 Y HN 0.089 nan 8.280 nan 0.000 0.460 15 P HA 0.328 nan 4.420 nan 0.000 0.282 15 P C -0.594 176.794 177.300 0.146 0.000 1.287 15 P CA -0.298 62.909 63.100 0.178 0.000 0.792 15 P CB 1.517 33.328 31.700 0.184 0.000 1.163 16 I N -0.014 120.617 120.570 0.101 0.000 2.612 16 I HA 0.242 4.413 4.170 0.001 0.000 0.295 16 I C 0.507 176.659 176.117 0.059 0.000 1.011 16 I CA -0.736 60.602 61.300 0.063 0.000 1.326 16 I CB 0.439 38.466 38.000 0.045 0.000 1.427 16 I HN 0.059 nan 8.210 nan 0.000 0.537 17 I N 3.988 124.570 120.570 0.020 0.000 2.412 17 I HA 0.204 4.374 4.170 0.001 0.000 0.296 17 I C -0.241 175.887 176.117 0.018 0.000 0.987 17 I CA -0.606 60.707 61.300 0.023 0.000 1.180 17 I CB 1.222 39.205 38.000 -0.028 0.000 1.340 17 I HN 0.487 nan 8.210 nan 0.000 0.455 18 N N 4.744 123.481 118.700 0.062 0.000 3.324 18 N HA 0.297 5.037 4.740 0.001 0.000 0.302 18 N C 0.184 175.757 175.510 0.105 0.000 1.360 18 N CA -0.200 52.889 53.050 0.064 0.000 1.190 18 N CB 0.503 39.026 38.487 0.061 0.000 1.462 18 N HN 0.664 nan 8.380 nan 0.000 0.532 19 A N 1.757 124.647 122.820 0.118 0.000 2.546 19 A HA 0.221 4.541 4.320 0.001 0.000 0.243 19 A C -1.589 176.065 177.584 0.118 0.000 1.063 19 A CA -0.815 51.347 52.037 0.207 0.000 0.757 19 A CB -0.318 18.824 19.000 0.238 0.000 0.991 19 A HN 0.267 nan 8.150 nan 0.000 0.503 20 P HA -0.015 nan 4.420 nan 0.000 0.261 20 P C 0.786 178.111 177.300 0.042 0.000 1.173 20 P CA 0.573 63.702 63.100 0.048 0.000 0.760 20 P CB 0.646 32.358 31.700 0.021 0.000 0.783 21 S N 1.722 117.437 115.700 0.026 0.000 2.496 21 S HA -0.010 4.461 4.470 0.001 0.000 0.224 21 S C 0.710 175.310 174.600 -0.001 0.000 0.996 21 S CA 0.336 58.543 58.200 0.012 0.000 0.927 21 S CB 0.023 63.226 63.200 0.004 0.000 0.774 21 S HN 0.521 nan 8.310 nan 0.000 0.524 22 K N 1.493 121.896 120.400 0.004 0.000 2.316 22 K HA 0.364 4.685 4.320 0.001 0.000 0.251 22 K C -0.443 176.157 176.600 -0.001 0.000 0.934 22 K CA -0.467 55.819 56.287 -0.001 0.000 0.802 22 K CB 1.870 34.372 32.500 0.004 0.000 1.171 22 K HN 0.073 nan 8.250 nan 0.000 0.426 23 T N 1.539 116.089 114.554 -0.006 0.000 2.900 23 T HA 0.109 4.459 4.350 0.001 0.000 0.307 23 T C 0.665 175.366 174.700 0.003 0.000 1.065 23 T CA 0.291 62.383 62.100 -0.012 0.000 1.105 23 T CB 0.580 69.429 68.868 -0.031 0.000 0.979 23 T HN 0.691 nan 8.240 nan 0.000 0.544 24 K N 2.491 122.890 120.400 -0.002 0.000 2.393 24 K HA 0.250 4.570 4.320 0.001 0.000 0.193 24 K C 0.274 176.902 176.600 0.047 0.000 1.026 24 K CA 0.039 56.335 56.287 0.015 0.000 1.064 24 K CB 0.164 32.664 32.500 0.000 0.000 0.833 24 K HN 0.523 nan 8.250 nan 0.000 0.521 25 L N 3.069 124.317 121.223 0.042 0.000 2.361 25 L HA 0.092 4.433 4.340 0.001 0.000 0.278 25 L C 0.082 177.113 176.870 0.267 0.000 1.113 25 L CA 0.097 55.007 54.840 0.116 0.000 0.849 25 L CB 0.393 42.417 42.059 -0.059 0.000 1.155 25 L HN 0.214 nan 8.230 nan 0.000 0.452 26 E N 3.862 124.303 120.200 0.402 0.000 2.383 26 E HA 0.510 4.861 4.350 0.001 0.000 0.275 26 E C -2.845 173.884 176.600 0.215 0.000 0.918 26 E CA -2.656 53.953 56.400 0.349 0.000 0.764 26 E CB 1.627 31.413 29.700 0.143 0.000 1.252 26 E HN 0.150 nan 8.360 nan 0.000 0.449 27 P HA -0.085 nan 4.420 nan 0.000 0.260 27 P C -0.403 176.761 177.300 -0.227 0.000 1.172 27 P CA 0.508 63.211 63.100 -0.661 0.000 0.760 27 P CB 0.550 31.634 31.700 -1.027 0.000 0.773 28 S N 2.628 118.261 115.700 -0.111 0.000 2.713 28 S HA 0.528 4.999 4.470 0.001 0.000 0.277 28 S C 1.509 176.083 174.600 -0.043 0.000 1.168 28 S CA -0.110 58.105 58.200 0.024 0.000 0.994 28 S CB 0.758 64.079 63.200 0.202 0.000 1.054 28 S HN 0.383 nan 8.310 nan 0.000 0.555 29 A N -0.211 122.502 122.820 -0.178 0.000 2.131 29 A HA 0.076 4.397 4.320 0.001 0.000 0.220 29 A C 1.128 178.389 177.584 -0.539 0.000 1.158 29 A CA 1.119 52.884 52.037 -0.453 0.000 0.665 29 A CB -1.041 17.513 19.000 -0.743 0.000 0.795 29 A HN 0.770 nan 8.150 nan 0.000 0.460 30 F N -2.716 117.286 119.950 0.087 0.000 2.653 30 F HA 0.211 4.739 4.527 0.001 0.000 0.304 30 F C 1.596 177.467 175.800 0.117 0.000 1.092 30 F CA 0.062 58.157 58.000 0.159 0.000 1.279 30 F CB -0.434 38.727 39.000 0.269 0.000 1.044 30 F HN 0.327 nan 8.300 nan 0.000 0.564 31 H N -0.034 119.023 119.070 -0.021 0.000 2.319 31 H HA -0.245 4.312 4.556 0.002 0.000 0.297 31 H C 1.217 176.309 175.328 -0.393 0.000 1.097 31 H CA 2.370 58.211 56.048 -0.344 0.000 1.285 31 H CB -0.163 29.222 29.762 -0.629 0.000 1.368 31 H HN 0.329 nan 8.280 nan 0.000 0.495 32 Y N -1.434 118.897 120.300 0.051 0.000 2.457 32 Y HA 0.147 4.697 4.550 0.001 0.000 0.263 32 Y C 1.767 177.640 175.900 -0.045 0.000 1.164 32 Y CA -0.040 58.054 58.100 -0.009 0.000 1.274 32 Y CB 0.791 39.260 38.460 0.015 0.000 1.097 32 Y HN 0.080 nan 8.280 nan 0.000 0.523 33 V N -1.422 118.531 119.914 0.065 0.000 3.471 33 V HA 0.042 4.163 4.120 0.001 0.000 0.258 33 V C -0.058 175.822 176.094 -0.357 0.000 1.192 33 V CA 0.648 62.871 62.300 -0.130 0.000 1.116 33 V CB -0.281 31.461 31.823 -0.136 0.000 0.792 33 V HN 0.003 nan 8.190 nan 0.000 0.459 34 F N -0.348 119.597 119.950 -0.010 0.000 2.579 34 F HA 0.539 5.067 4.527 0.001 0.000 0.324 34 F C 0.386 176.114 175.800 -0.119 0.000 1.058 34 F CA -1.075 56.891 58.000 -0.057 0.000 0.944 34 F CB 1.382 40.408 39.000 0.044 0.000 1.245 34 F HN -0.153 nan 8.300 nan 0.000 0.477 35 E N 0.531 120.768 120.200 0.061 0.000 2.197 35 E HA 0.618 4.969 4.350 0.001 0.000 0.281 35 E C -0.386 176.240 176.600 0.042 0.000 0.995 35 E CA -0.606 55.794 56.400 -0.001 0.000 0.808 35 E CB 1.706 31.384 29.700 -0.035 0.000 1.093 35 E HN 0.780 nan 8.360 nan 0.000 0.394 36 G N 0.409 109.221 108.800 0.020 0.000 2.755 36 G HA2 0.327 4.288 3.960 0.001 0.000 0.297 36 G HA3 0.327 4.288 3.960 0.001 0.000 0.297 36 G C -0.015 174.930 174.900 0.076 0.000 1.441 36 G CA -0.714 44.430 45.100 0.073 0.000 0.964 36 G HN 0.383 nan 8.290 nan 0.000 0.540 37 V N -1.693 118.277 119.914 0.093 0.000 3.376 37 V HA 0.440 4.561 4.120 0.001 0.000 0.313 37 V C 0.571 176.729 176.094 0.107 0.000 1.393 37 V CA -0.243 62.111 62.300 0.091 0.000 1.125 37 V CB -0.754 31.106 31.823 0.062 0.000 1.037 37 V HN 0.420 nan 8.190 nan 0.000 0.440 38 K N 1.389 121.872 120.400 0.139 0.000 2.110 38 K HA 0.685 5.006 4.320 0.001 0.000 0.263 38 K C -0.484 176.154 176.600 0.063 0.000 0.975 38 K CA -0.288 56.041 56.287 0.071 0.000 0.895 38 K CB 1.668 34.173 32.500 0.008 0.000 1.060 38 K HN 0.493 nan 8.250 nan 0.000 0.448 39 E N 1.629 121.762 120.200 -0.111 0.000 2.369 39 E HA 0.307 4.658 4.350 0.001 0.000 0.270 39 E C -2.670 173.672 176.600 -0.430 0.000 0.909 39 E CA -2.438 53.806 56.400 -0.260 0.000 0.775 39 E CB 1.806 31.488 29.700 -0.029 0.000 1.270 39 E HN 0.245 nan 8.360 nan 0.000 0.445 40 P HA -0.046 nan 4.420 nan 0.000 0.266 40 P C -0.822 176.361 177.300 -0.196 0.000 1.195 40 P CA 0.269 63.135 63.100 -0.390 0.000 0.768 40 P CB 0.441 31.954 31.700 -0.310 0.000 0.838 41 A N 3.207 125.942 122.820 -0.143 0.000 2.409 41 A HA 0.179 4.500 4.320 0.001 0.000 0.246 41 A C -0.006 177.557 177.584 -0.035 0.000 1.099 41 A CA -0.208 51.789 52.037 -0.067 0.000 0.789 41 A CB -0.169 18.806 19.000 -0.041 0.000 1.053 41 A HN 0.392 nan 8.150 nan 0.000 0.503 42 V N 1.618 121.541 119.914 0.015 0.000 2.530 42 V HA 0.146 4.267 4.120 0.001 0.000 0.282 42 V C 1.064 177.172 176.094 0.023 0.000 1.048 42 V CA 0.195 62.489 62.300 -0.010 0.000 0.997 42 V CB 0.686 32.530 31.823 0.034 0.000 0.987 42 V HN 0.787 nan 8.190 nan 0.000 0.477 43 L N 3.023 124.195 121.223 -0.085 0.000 2.433 43 L HA 0.205 4.545 4.340 0.001 0.000 0.200 43 L C 1.174 177.973 176.870 -0.119 0.000 1.059 43 L CA 0.591 55.429 54.840 -0.002 0.000 0.835 43 L CB 0.261 42.327 42.059 0.011 0.000 1.076 43 L HN 0.831 nan 8.230 nan 0.000 0.481 44 T N -3.836 110.508 114.554 -0.350 0.000 2.926 44 T HA 0.331 4.682 4.350 0.001 0.000 0.289 44 T C 0.457 174.687 174.700 -0.782 0.000 1.054 44 T CA -0.751 61.104 62.100 -0.408 0.000 1.015 44 T CB 2.114 70.896 68.868 -0.142 0.000 1.167 44 T HN -0.196 nan 8.240 nan 0.000 0.526 45 K N 0.805 120.929 120.400 -0.460 0.000 2.211 45 K HA 0.006 4.327 4.320 0.001 0.000 0.204 45 K C 1.831 178.322 176.600 -0.182 0.000 1.047 45 K CA 1.117 57.249 56.287 -0.258 0.000 0.935 45 K CB -0.434 32.097 32.500 0.053 0.000 0.728 45 K HN 0.458 nan 8.250 nan 0.000 0.452 46 N N 1.124 119.728 118.700 -0.160 0.000 2.396 46 N HA -0.111 4.630 4.740 0.001 0.000 0.180 46 N C -0.137 175.316 175.510 -0.094 0.000 1.028 46 N CA 0.484 53.478 53.050 -0.093 0.000 0.893 46 N CB -0.354 38.095 38.487 -0.064 0.000 0.967 46 N HN 0.229 nan 8.380 nan 0.000 0.440 47 D N 2.163 122.475 120.400 -0.146 0.000 2.662 47 D HA -0.057 4.584 4.640 0.001 0.000 0.237 47 D C -1.471 174.795 176.300 -0.057 0.000 1.154 47 D CA -1.061 52.875 54.000 -0.105 0.000 0.861 47 D CB 0.971 41.684 40.800 -0.145 0.000 1.146 47 D HN 0.088 nan 8.370 nan 0.000 0.518 48 P HA -0.092 nan 4.420 nan 0.000 0.221 48 P C 0.787 178.088 177.300 0.001 0.000 1.145 48 P CA 0.932 64.026 63.100 -0.009 0.000 0.795 48 P CB 0.177 31.877 31.700 -0.000 0.000 0.775 49 R N -1.088 119.411 120.500 -0.002 0.000 2.313 49 R HA 0.140 4.481 4.340 0.001 0.000 0.199 49 R C 0.475 176.785 176.300 0.016 0.000 0.958 49 R CA -0.063 56.043 56.100 0.011 0.000 1.047 49 R CB -0.420 29.888 30.300 0.013 0.000 0.955 49 R HN 0.265 nan 8.270 nan 0.000 0.481 50 L N 1.108 122.339 121.223 0.012 0.000 2.380 50 L HA 0.092 4.433 4.340 0.001 0.000 0.273 50 L C 1.208 178.101 176.870 0.038 0.000 1.138 50 L CA 0.206 55.066 54.840 0.034 0.000 0.832 50 L CB 1.018 43.102 42.059 0.041 0.000 1.124 50 L HN 0.024 nan 8.230 nan 0.000 0.454 51 K N 0.678 121.104 120.400 0.044 0.000 2.262 51 K HA 0.095 4.416 4.320 0.001 0.000 0.200 51 K C 0.742 177.367 176.600 0.042 0.000 1.058 51 K CA 0.300 56.610 56.287 0.037 0.000 0.974 51 K CB 0.640 33.159 32.500 0.030 0.000 0.910 51 K HN 0.610 nan 8.250 nan 0.000 0.484 52 T N 0.371 114.955 114.554 0.051 0.000 2.948 52 T HA 0.097 4.448 4.350 0.001 0.000 0.285 52 T C -1.105 173.641 174.700 0.078 0.000 1.019 52 T CA -0.775 61.356 62.100 0.051 0.000 1.013 52 T CB 1.356 70.246 68.868 0.037 0.000 1.117 52 T HN 0.033 nan 8.240 nan 0.000 0.533 53 D N 0.656 121.100 120.400 0.073 0.000 2.472 53 D HA 0.037 4.678 4.640 0.001 0.000 0.237 53 D C 0.577 176.962 176.300 0.141 0.000 1.141 53 D CA 0.118 54.181 54.000 0.103 0.000 0.875 53 D CB 0.238 41.083 40.800 0.075 0.000 1.192 53 D HN 0.411 nan 8.370 nan 0.000 0.450 54 F N 2.921 122.888 119.950 0.027 0.000 2.074 54 F HA -0.047 4.481 4.527 0.001 0.000 0.290 54 F C 2.036 177.853 175.800 0.029 0.000 1.118 54 F CA 1.087 59.100 58.000 0.022 0.000 1.199 54 F CB -0.154 38.866 39.000 0.033 0.000 1.012 54 F HN 0.415 nan 8.300 nan 0.000 0.472 55 E N 0.660 120.857 120.200 -0.005 0.000 2.086 55 E HA -0.331 4.020 4.350 0.001 0.000 0.200 55 E C 2.142 178.731 176.600 -0.019 0.000 1.012 55 E CA 1.872 58.257 56.400 -0.024 0.000 0.812 55 E CB -0.836 28.952 29.700 0.148 0.000 0.743 55 E HN 0.663 nan 8.360 nan 0.000 0.453 56 E N 0.487 120.685 120.200 -0.005 0.000 2.038 56 E HA -0.193 4.158 4.350 0.001 0.000 0.195 56 E C 2.065 178.628 176.600 -0.061 0.000 1.000 56 E CA 1.172 57.571 56.400 -0.002 0.000 0.803 56 E CB -0.084 29.619 29.700 0.003 0.000 0.750 56 E HN 0.190 nan 8.360 nan 0.000 0.448 57 A N 1.907 124.655 122.820 -0.121 0.000 1.859 57 A HA -0.242 4.079 4.320 0.001 0.000 0.217 57 A C 2.317 179.744 177.584 -0.261 0.000 1.198 57 A CA 2.211 54.153 52.037 -0.158 0.000 0.629 57 A CB -1.168 17.755 19.000 -0.128 0.000 0.830 57 A HN 0.584 nan 8.150 nan 0.000 0.446 58 I N -4.518 115.771 120.570 -0.468 0.000 2.286 58 I HA -0.163 4.008 4.170 0.001 0.000 0.248 58 I C 2.206 177.956 176.117 -0.612 0.000 1.115 58 I CA 1.810 62.738 61.300 -0.621 0.000 1.392 58 I CB -0.566 36.866 38.000 -0.947 0.000 1.065 58 I HN 0.186 nan 8.210 nan 0.000 0.418 59 F N 2.270 122.028 119.950 -0.319 0.000 2.615 59 F HA -0.033 4.495 4.527 0.001 0.000 0.297 59 F C 2.814 178.525 175.800 -0.148 0.000 1.124 59 F CA 0.891 58.762 58.000 -0.215 0.000 1.451 59 F CB -0.253 38.612 39.000 -0.226 0.000 1.103 59 F HN 0.179 nan 8.300 nan 0.000 0.569 60 S N 1.043 116.727 115.700 -0.027 0.000 2.528 60 S HA -0.232 4.239 4.470 0.001 0.000 0.244 60 S C 1.733 176.275 174.600 -0.097 0.000 0.982 60 S CA 1.013 59.191 58.200 -0.036 0.000 0.953 60 S CB -0.844 62.326 63.200 -0.050 0.000 0.754 60 S HN 0.641 nan 8.310 nan 0.000 0.529 61 K N 0.179 120.436 120.400 -0.238 0.000 2.365 61 K HA -0.055 4.266 4.320 0.001 0.000 0.199 61 K C -0.278 176.124 176.600 -0.330 0.000 1.045 61 K CA 0.454 56.545 56.287 -0.328 0.000 0.962 61 K CB -0.489 31.728 32.500 -0.471 0.000 0.759 61 K HN 0.507 nan 8.250 nan 0.000 0.469 62 Y N 2.705 122.978 120.300 -0.044 0.000 2.627 62 Y HA 0.040 4.591 4.550 0.002 0.000 0.347 62 Y C 1.546 177.426 175.900 -0.034 0.000 1.099 62 Y CA -1.170 56.905 58.100 -0.041 0.000 1.408 62 Y CB 0.383 38.808 38.460 -0.057 0.000 1.247 62 Y HN -0.110 nan 8.280 nan 0.000 0.506 63 V N -0.128 119.838 119.914 0.086 0.000 2.259 63 V HA -0.024 4.097 4.120 0.001 0.000 0.226 63 V C 0.879 177.006 176.094 0.055 0.000 1.016 63 V CA 1.025 63.358 62.300 0.054 0.000 1.000 63 V CB -0.545 31.301 31.823 0.039 0.000 0.647 63 V HN 0.526 nan 8.190 nan 0.000 0.466 64 S N -1.787 113.945 115.700 0.053 0.000 2.683 64 S HA 0.401 4.871 4.470 0.001 0.000 0.269 64 S C -1.870 172.756 174.600 0.044 0.000 1.165 64 S CA -0.742 57.480 58.200 0.036 0.000 0.840 64 S CB 1.276 64.491 63.200 0.024 0.000 1.169 64 S HN 0.720 nan 8.310 nan 0.000 0.490 65 N N 1.840 120.558 118.700 0.030 0.000 2.446 65 N HA 0.372 5.113 4.740 0.001 0.000 0.265 65 N C 0.079 175.605 175.510 0.027 0.000 0.975 65 N CA -0.424 52.650 53.050 0.039 0.000 0.928 65 N CB 1.735 40.238 38.487 0.026 0.000 1.160 65 N HN 0.501 nan 8.380 nan 0.000 0.495 66 K N 2.216 122.638 120.400 0.037 0.000 2.186 66 K HA 0.203 4.524 4.320 0.001 0.000 0.202 66 K C 0.492 177.079 176.600 -0.022 0.000 1.052 66 K CA 0.869 57.162 56.287 0.010 0.000 0.965 66 K CB 0.161 32.676 32.500 0.024 0.000 0.746 66 K HN 0.735 nan 8.250 nan 0.000 0.457 67 I N -2.992 117.570 120.570 -0.014 0.000 2.689 67 I HA 0.403 4.574 4.170 0.001 0.000 0.299 67 I C -0.062 176.033 176.117 -0.037 0.000 1.059 67 I CA -0.751 60.516 61.300 -0.056 0.000 1.055 67 I CB 2.519 40.453 38.000 -0.111 0.000 1.243 67 I HN -0.233 nan 8.210 nan 0.000 0.425 68 T N 1.945 116.473 114.554 -0.043 0.000 3.045 68 T HA 0.208 4.559 4.350 0.001 0.000 0.239 68 T C 0.499 175.179 174.700 -0.033 0.000 1.008 68 T CA 0.453 62.538 62.100 -0.024 0.000 1.143 68 T CB 0.014 68.873 68.868 -0.015 0.000 0.894 68 T HN 0.671 nan 8.240 nan 0.000 0.451 69 E N 0.814 120.986 120.200 -0.047 0.000 2.243 69 E HA 0.544 4.895 4.350 0.001 0.000 0.260 69 E C -1.193 175.363 176.600 -0.073 0.000 0.985 69 E CA -0.736 55.637 56.400 -0.046 0.000 0.858 69 E CB 2.025 31.708 29.700 -0.029 0.000 1.210 69 E HN -0.098 nan 8.360 nan 0.000 0.411 70 V N 2.965 122.845 119.914 -0.058 0.000 2.408 70 V HA 0.044 4.164 4.120 0.001 0.000 0.267 70 V C -0.156 175.927 176.094 -0.019 0.000 1.047 70 V CA -0.329 61.931 62.300 -0.066 0.000 0.937 70 V CB 0.269 32.068 31.823 -0.039 0.000 0.999 70 V HN 0.658 nan 8.190 nan 0.000 0.472 71 D N 3.019 123.430 120.400 0.018 0.000 2.451 71 D HA 0.135 4.776 4.640 0.001 0.000 0.259 71 D C 1.237 177.555 176.300 0.030 0.000 1.201 71 D CA -0.377 53.654 54.000 0.052 0.000 1.028 71 D CB 0.617 41.499 40.800 0.138 0.000 1.095 71 D HN 0.618 nan 8.370 nan 0.000 0.539 72 E N -0.603 119.563 120.200 -0.057 0.000 2.097 72 E HA -0.347 4.004 4.350 0.001 0.000 0.196 72 E C 1.714 178.217 176.600 -0.162 0.000 1.000 72 E CA 1.354 57.651 56.400 -0.172 0.000 0.804 72 E CB -0.830 28.668 29.700 -0.337 0.000 0.740 72 E HN 0.619 nan 8.360 nan 0.000 0.454 73 Y N 0.846 121.184 120.300 0.062 0.000 2.145 73 Y HA -0.123 4.428 4.550 0.002 0.000 0.286 73 Y C 2.681 178.612 175.900 0.052 0.000 1.145 73 Y CA 1.506 59.643 58.100 0.062 0.000 1.148 73 Y CB -0.349 38.162 38.460 0.086 0.000 0.981 73 Y HN -0.020 nan 8.280 nan 0.000 0.507 74 M N 0.084 119.797 119.600 0.189 0.000 2.117 74 M HA -0.240 4.241 4.480 0.001 0.000 0.262 74 M C 2.025 178.391 176.300 0.110 0.000 1.065 74 M CA 1.770 57.133 55.300 0.105 0.000 1.114 74 M CB -0.407 32.173 32.600 -0.033 0.000 1.361 74 M HN 0.147 nan 8.290 nan 0.000 0.408 75 K N 0.150 120.595 120.400 0.075 0.000 2.063 75 K HA -0.224 4.097 4.320 0.001 0.000 0.208 75 K C 1.943 178.600 176.600 0.095 0.000 1.048 75 K CA 1.609 57.938 56.287 0.070 0.000 0.928 75 K CB -0.258 32.263 32.500 0.034 0.000 0.713 75 K HN 0.419 nan 8.250 nan 0.000 0.442 76 E N 0.598 120.853 120.200 0.091 0.000 2.107 76 E HA -0.137 4.214 4.350 0.001 0.000 0.191 76 E C 1.949 178.650 176.600 0.169 0.000 0.982 76 E CA 0.763 57.230 56.400 0.113 0.000 0.809 76 E CB 0.022 29.774 29.700 0.086 0.000 0.756 76 E HN 0.307 nan 8.360 nan 0.000 0.459 77 A N 0.626 123.551 122.820 0.175 0.000 1.883 77 A HA -0.165 4.156 4.320 0.001 0.000 0.217 77 A C 2.400 180.142 177.584 0.264 0.000 1.186 77 A CA 1.588 53.751 52.037 0.209 0.000 0.624 77 A CB -0.864 18.255 19.000 0.198 0.000 0.822 77 A HN 0.217 nan 8.150 nan 0.000 0.444 78 V N 0.803 120.854 119.914 0.229 0.000 2.252 78 V HA -0.317 3.804 4.120 0.001 0.000 0.249 78 V C 2.295 178.524 176.094 0.225 0.000 1.056 78 V CA 2.477 64.919 62.300 0.238 0.000 1.022 78 V CB -0.972 30.957 31.823 0.177 0.000 0.641 78 V HN 0.531 nan 8.190 nan 0.000 0.445 79 D N -1.097 119.413 120.400 0.183 0.000 2.103 79 D HA -0.218 4.423 4.640 0.001 0.000 0.190 79 D C 2.089 178.494 176.300 0.175 0.000 0.997 79 D CA 1.845 55.937 54.000 0.153 0.000 0.833 79 D CB -0.608 40.269 40.800 0.129 0.000 0.961 79 D HN 0.573 nan 8.370 nan 0.000 0.447 80 H N -0.581 118.573 119.070 0.140 0.000 2.265 80 H HA -0.224 4.333 4.556 0.002 0.000 0.295 80 H C 2.210 177.648 175.328 0.184 0.000 1.084 80 H CA 1.806 57.942 56.048 0.147 0.000 1.261 80 H CB -0.441 29.414 29.762 0.155 0.000 1.360 80 H HN 0.177 nan 8.280 nan 0.000 0.487 81 Y N 1.032 121.425 120.300 0.154 0.000 2.181 81 Y HA -0.125 4.426 4.550 0.002 0.000 0.288 81 Y C 2.717 178.647 175.900 0.050 0.000 1.146 81 Y CA 1.550 59.711 58.100 0.101 0.000 1.164 81 Y CB -0.826 37.738 38.460 0.173 0.000 0.982 81 Y HN 0.312 nan 8.280 nan 0.000 0.515 82 A N 0.013 122.846 122.820 0.021 0.000 1.902 82 A HA -0.120 4.201 4.320 0.001 0.000 0.217 82 A C 2.566 180.093 177.584 -0.094 0.000 1.181 82 A CA 1.777 53.780 52.037 -0.057 0.000 0.623 82 A CB -1.696 17.335 19.000 0.052 0.000 0.818 82 A HN 0.560 nan 8.150 nan 0.000 0.443 83 G N -0.873 107.886 108.800 -0.070 0.000 2.469 83 G HA2 -0.285 3.676 3.960 0.001 0.000 0.219 83 G HA3 -0.285 3.676 3.960 0.001 0.000 0.219 83 G C 1.628 176.442 174.900 -0.144 0.000 1.150 83 G CA 1.129 46.172 45.100 -0.095 0.000 0.763 83 G HN 0.661 nan 8.290 nan 0.000 0.561 84 Q N -0.302 119.373 119.800 -0.208 0.000 2.046 84 Q HA 0.092 4.433 4.340 0.001 0.000 0.200 84 Q C 2.701 178.591 176.000 -0.184 0.000 0.975 84 Q CA 0.807 56.498 55.803 -0.188 0.000 0.836 84 Q CB -0.279 28.366 28.738 -0.155 0.000 0.896 84 Q HN 0.447 nan 8.270 nan 0.000 0.428 85 L N 0.287 121.349 121.223 -0.269 0.000 2.261 85 L HA -0.181 4.160 4.340 0.001 0.000 0.216 85 L C 2.372 179.184 176.870 -0.096 0.000 1.114 85 L CA 0.766 55.475 54.840 -0.217 0.000 0.777 85 L CB -0.449 41.456 42.059 -0.258 0.000 0.910 85 L HN 0.357 nan 8.230 nan 0.000 0.440 86 M N -0.539 119.015 119.600 -0.076 0.000 2.319 86 M HA -0.106 4.375 4.480 0.001 0.000 0.265 86 M C 2.533 178.816 176.300 -0.028 0.000 1.068 86 M CA 1.607 56.890 55.300 -0.027 0.000 1.118 86 M CB -0.514 32.077 32.600 -0.015 0.000 1.395 86 M HN 0.396 nan 8.290 nan 0.000 0.435 87 S N 0.811 116.481 115.700 -0.050 0.000 2.474 87 S HA -0.047 4.424 4.470 0.001 0.000 0.235 87 S C 1.691 176.270 174.600 -0.035 0.000 0.997 87 S CA 0.730 58.905 58.200 -0.041 0.000 0.949 87 S CB -0.696 62.473 63.200 -0.051 0.000 0.766 87 S HN 0.508 nan 8.310 nan 0.000 0.517 88 L N 1.016 122.213 121.223 -0.043 0.000 2.395 88 L HA 0.107 4.447 4.340 0.001 0.000 0.218 88 L C 0.642 177.509 176.870 -0.004 0.000 1.130 88 L CA 0.525 55.344 54.840 -0.035 0.000 0.826 88 L CB -0.837 41.184 42.059 -0.063 0.000 0.941 88 L HN 0.293 nan 8.230 nan 0.000 0.451 89 D N 1.298 121.702 120.400 0.007 0.000 2.927 89 D HA -0.214 4.426 4.640 0.001 0.000 0.236 89 D C -0.117 176.211 176.300 0.046 0.000 1.163 89 D CA 0.359 54.373 54.000 0.024 0.000 0.801 89 D CB -0.869 39.939 40.800 0.013 0.000 0.975 89 D HN 0.189 nan 8.370 nan 0.000 0.413 90 I N 0.759 121.378 120.570 0.081 0.000 2.575 90 I HA 0.040 4.211 4.170 0.001 0.000 0.285 90 I C 1.297 177.492 176.117 0.129 0.000 1.085 90 I CA -0.564 60.816 61.300 0.133 0.000 1.403 90 I CB 0.550 38.683 38.000 0.222 0.000 1.409 90 I HN 0.219 nan 8.210 nan 0.000 0.557 91 N N 4.325 123.096 118.700 0.118 0.000 2.406 91 N HA -0.033 4.708 4.740 0.001 0.000 0.265 91 N C 0.997 176.536 175.510 0.047 0.000 1.203 91 N CA 0.027 53.116 53.050 0.065 0.000 0.945 91 N CB 0.669 39.192 38.487 0.060 0.000 1.165 91 N HN 0.708 nan 8.380 nan 0.000 0.485 92 T N -0.079 114.405 114.554 -0.118 0.000 3.160 92 T HA 0.066 4.416 4.350 0.001 0.000 0.257 92 T C 0.487 174.923 174.700 -0.440 0.000 1.147 92 T CA 0.205 61.992 62.100 -0.521 0.000 1.064 92 T CB -0.170 68.369 68.868 -0.548 0.000 0.949 92 T HN 0.480 nan 8.240 nan 0.000 0.526 93 E N 1.298 121.388 120.200 -0.184 0.000 2.410 93 E HA 0.172 4.522 4.350 0.001 0.000 0.255 93 E C 0.105 176.648 176.600 -0.095 0.000 1.194 93 E CA -0.391 55.933 56.400 -0.126 0.000 0.955 93 E CB 0.487 30.151 29.700 -0.060 0.000 0.988 93 E HN 0.443 nan 8.360 nan 0.000 0.461 94 Q N 0.976 120.730 119.800 -0.076 0.000 2.317 94 Q HA 0.286 4.627 4.340 0.001 0.000 0.229 94 Q C -0.827 175.160 176.000 -0.022 0.000 0.984 94 Q CA -0.322 55.448 55.803 -0.056 0.000 0.911 94 Q CB 0.984 29.686 28.738 -0.060 0.000 1.217 94 Q HN 0.443 nan 8.270 nan 0.000 0.501 95 M N 2.917 122.509 119.600 -0.014 0.000 2.238 95 M HA 0.312 4.793 4.480 0.001 0.000 0.350 95 M C -0.532 175.773 176.300 0.008 0.000 1.138 95 M CA -0.830 54.476 55.300 0.010 0.000 1.040 95 M CB 0.642 33.257 32.600 0.026 0.000 1.639 95 M HN 0.943 nan 8.290 nan 0.000 0.451 96 C N 3.686 122.998 119.300 0.020 0.000 2.702 96 C HA 0.084 4.545 4.460 0.001 0.000 0.411 96 C C 1.697 176.706 174.990 0.030 0.000 1.286 96 C CA -0.819 58.214 59.018 0.024 0.000 1.979 96 C CB -0.228 27.531 27.740 0.032 0.000 2.728 96 C HN 1.103 nan 8.230 nan 0.000 0.652 97 L N 1.292 122.533 121.223 0.031 0.000 2.079 97 L HA -0.114 4.227 4.340 0.001 0.000 0.210 97 L C 2.623 179.520 176.870 0.046 0.000 1.081 97 L CA 2.424 57.281 54.840 0.029 0.000 0.752 97 L CB -1.110 40.969 42.059 0.033 0.000 0.896 97 L HN 0.993 nan 8.230 nan 0.000 0.433 98 E N -0.764 119.489 120.200 0.088 0.000 2.017 98 E HA -0.256 4.094 4.350 0.001 0.000 0.193 98 E C 1.744 178.439 176.600 0.157 0.000 0.997 98 E CA 1.687 58.190 56.400 0.170 0.000 0.804 98 E CB -0.075 29.717 29.700 0.154 0.000 0.757 98 E HN 0.531 nan 8.360 nan 0.000 0.448 99 D N 0.250 120.712 120.400 0.103 0.000 2.104 99 D HA -0.162 4.479 4.640 0.001 0.000 0.194 99 D C 1.862 178.199 176.300 0.062 0.000 0.994 99 D CA 1.446 55.500 54.000 0.090 0.000 0.830 99 D CB -0.526 40.319 40.800 0.074 0.000 0.959 99 D HN 0.324 nan 8.370 nan 0.000 0.452 100 A N 0.129 122.973 122.820 0.040 0.000 2.032 100 A HA -0.192 4.129 4.320 0.001 0.000 0.221 100 A C 2.166 179.728 177.584 -0.036 0.000 1.165 100 A CA 1.524 53.575 52.037 0.023 0.000 0.645 100 A CB -0.398 18.610 19.000 0.013 0.000 0.807 100 A HN 0.209 nan 8.150 nan 0.000 0.453 101 M N -3.260 116.270 119.600 -0.116 0.000 2.556 101 M HA 0.128 4.609 4.480 0.001 0.000 0.259 101 M C 0.873 176.915 176.300 -0.429 0.000 1.175 101 M CA 0.937 56.022 55.300 -0.358 0.000 1.202 101 M CB 0.191 32.400 32.600 -0.651 0.000 1.298 101 M HN 0.422 nan 8.290 nan 0.000 0.492 102 Y N 0.802 121.115 120.300 0.022 0.000 2.625 102 Y HA 0.490 5.041 4.550 0.001 0.000 0.285 102 Y C 1.024 176.935 175.900 0.018 0.000 1.168 102 Y CA -0.092 58.018 58.100 0.016 0.000 1.250 102 Y CB -0.248 38.219 38.460 0.012 0.000 1.130 102 Y HN 0.377 nan 8.280 nan 0.000 0.526 103 G N 0.176 109.044 108.800 0.112 0.000 2.795 103 G HA2 0.068 4.029 3.960 0.001 0.000 0.664 103 G HA3 0.068 4.029 3.960 0.001 0.000 0.664 103 G C -0.468 174.485 174.900 0.089 0.000 1.381 103 G CA -0.201 44.952 45.100 0.087 0.000 0.853 103 G HN 0.444 nan 8.290 nan 0.000 0.545 104 T N -1.394 113.203 114.554 0.072 0.000 2.669 104 T HA 0.413 4.764 4.350 0.001 0.000 0.305 104 T C -1.489 173.248 174.700 0.062 0.000 1.838 104 T CA 0.722 62.862 62.100 0.067 0.000 0.978 104 T CB 1.304 70.215 68.868 0.072 0.000 1.851 104 T HN 1.507 nan 8.240 nan 0.000 0.503 105 D N 0.294 120.728 120.400 0.057 0.000 2.451 105 D HA 0.405 5.046 4.640 0.001 0.000 0.254 105 D C 1.456 177.802 176.300 0.078 0.000 1.204 105 D CA 2.421 56.454 54.000 0.056 0.000 0.896 105 D CB -0.210 40.619 40.800 0.049 0.000 1.136 105 D HN 1.232 nan 8.370 nan 0.000 0.499 106 G N 2.638 111.485 108.800 0.080 0.000 2.213 106 G HA2 -0.212 3.749 3.960 0.001 0.000 0.236 106 G HA3 -0.212 3.749 3.960 0.001 0.000 0.236 106 G C -0.093 174.905 174.900 0.163 0.000 0.991 106 G CA 0.225 45.404 45.100 0.132 0.000 0.629 106 G HN 0.676 nan 8.290 nan 0.000 0.517 107 L N 1.581 122.866 121.223 0.103 0.000 2.439 107 L HA 0.672 5.012 4.340 0.001 0.000 0.270 107 L C 0.019 176.901 176.870 0.020 0.000 0.972 107 L CA -0.931 53.960 54.840 0.084 0.000 0.836 107 L CB 1.434 43.593 42.059 0.168 0.000 1.255 107 L HN 0.248 nan 8.230 nan 0.000 0.404 108 E N 2.452 122.624 120.200 -0.047 0.000 2.409 108 E HA 0.485 4.836 4.350 0.001 0.000 0.257 108 E C -0.200 176.399 176.600 -0.001 0.000 1.150 108 E CA -0.112 56.269 56.400 -0.032 0.000 0.942 108 E CB 0.772 30.431 29.700 -0.069 0.000 0.979 108 E HN 0.783 nan 8.360 nan 0.000 0.447 109 A N 1.930 124.760 122.820 0.016 0.000 2.332 109 A HA 0.212 4.533 4.320 0.001 0.000 0.258 109 A C 0.037 177.615 177.584 -0.011 0.000 1.087 109 A CA -0.445 51.606 52.037 0.022 0.000 0.802 109 A CB 0.168 19.215 19.000 0.078 0.000 1.042 109 A HN 0.562 nan 8.150 nan 0.000 0.489 110 L N 1.185 122.380 121.223 -0.047 0.000 2.559 110 L HA -0.032 4.309 4.340 0.001 0.000 0.282 110 L C 0.482 177.337 176.870 -0.025 0.000 1.232 110 L CA -0.030 54.781 54.840 -0.048 0.000 0.885 110 L CB 0.188 42.195 42.059 -0.086 0.000 1.131 110 L HN 0.703 nan 8.230 nan 0.000 0.498 111 D N 3.836 124.224 120.400 -0.019 0.000 2.349 111 D HA 0.023 4.664 4.640 0.001 0.000 0.266 111 D C 1.049 177.344 176.300 -0.009 0.000 1.293 111 D CA 0.144 54.137 54.000 -0.011 0.000 0.926 111 D CB 0.782 41.575 40.800 -0.012 0.000 1.090 111 D HN 0.360 nan 8.370 nan 0.000 0.502 112 L N 2.786 124.007 121.223 -0.003 0.000 2.353 112 L HA -0.177 4.164 4.340 0.001 0.000 0.220 112 L C 2.260 179.127 176.870 -0.005 0.000 1.133 112 L CA 0.968 55.807 54.840 -0.001 0.000 0.798 112 L CB -0.452 41.613 42.059 0.010 0.000 0.922 112 L HN 0.365 nan 8.230 nan 0.000 0.445 113 S N -1.978 113.717 115.700 -0.009 0.000 2.427 113 S HA -0.021 4.450 4.470 0.001 0.000 0.224 113 S C 1.228 175.814 174.600 -0.023 0.000 1.047 113 S CA 0.218 58.409 58.200 -0.016 0.000 0.953 113 S CB -0.728 62.461 63.200 -0.019 0.000 0.824 113 S HN 0.458 nan 8.310 nan 0.000 0.502 114 T N 1.634 116.178 114.554 -0.016 0.000 2.903 114 T HA 0.342 4.693 4.350 0.001 0.000 0.314 114 T C 0.286 174.991 174.700 0.008 0.000 1.078 114 T CA -0.166 61.926 62.100 -0.014 0.000 1.114 114 T CB 0.516 69.389 68.868 0.008 0.000 0.987 114 T HN 0.294 nan 8.240 nan 0.000 0.548 115 S N 0.667 116.376 115.700 0.014 0.000 2.553 115 S HA 0.182 4.653 4.470 0.001 0.000 0.293 115 S C 1.381 176.061 174.600 0.133 0.000 1.296 115 S CA -0.152 58.104 58.200 0.094 0.000 1.046 115 S CB -0.387 62.965 63.200 0.252 0.000 0.810 115 S HN 1.097 nan 8.310 nan 0.000 0.505 116 A N 4.060 126.970 122.820 0.149 0.000 2.195 116 A HA 0.551 4.872 4.320 0.001 0.000 0.210 116 A C 1.342 179.083 177.584 0.262 0.000 1.165 116 A CA 0.743 52.870 52.037 0.150 0.000 0.806 116 A CB -1.207 17.846 19.000 0.088 0.000 0.847 116 A HN 2.130 nan 8.150 nan 0.000 0.482 117 G N -1.485 107.473 108.800 0.263 0.000 2.855 117 G HA2 -0.199 3.762 3.960 0.001 0.000 0.352 117 G HA3 -0.199 3.762 3.960 0.001 0.000 0.352 117 G C -0.261 174.762 174.900 0.205 0.000 1.415 117 G CA -0.117 45.128 45.100 0.243 0.000 0.871 117 G HN 1.073 nan 8.290 nan 0.000 0.543 118 Y N 2.333 122.632 120.300 -0.002 0.000 2.411 118 Y HA 0.471 5.022 4.550 0.001 0.000 0.333 118 Y C -0.602 175.096 175.900 -0.337 0.000 1.186 118 Y CA -0.763 57.264 58.100 -0.122 0.000 1.381 118 Y CB 1.515 39.928 38.460 -0.078 0.000 1.273 118 Y HN 0.333 nan 8.280 nan 0.000 0.546 119 P HA -0.026 nan 4.420 nan 0.000 0.255 119 P C 0.433 177.237 177.300 -0.826 0.000 1.248 119 P CA 0.940 63.128 63.100 -1.520 0.000 0.807 119 P CB -0.057 30.660 31.700 -1.638 0.000 1.150 120 Y N -0.129 119.977 120.300 -0.324 0.000 2.165 120 Y HA -0.149 4.402 4.550 0.001 0.000 0.286 120 Y C 2.575 178.430 175.900 -0.076 0.000 1.155 120 Y CA 0.574 58.573 58.100 -0.169 0.000 1.164 120 Y CB -1.409 36.995 38.460 -0.092 0.000 0.978 120 Y HN -0.174 nan 8.280 nan 0.000 0.513 121 V N 0.065 120.046 119.914 0.111 0.000 3.026 121 V HA -0.164 3.957 4.120 0.001 0.000 0.265 121 V C 1.805 177.949 176.094 0.084 0.000 1.121 121 V CA 1.629 64.008 62.300 0.131 0.000 1.142 121 V CB -0.532 31.410 31.823 0.200 0.000 0.730 121 V HN 0.430 nan 8.190 nan 0.000 0.503 122 A N -1.184 121.641 122.820 0.009 0.000 2.343 122 A HA 0.344 4.665 4.320 0.001 0.000 0.223 122 A C 1.796 179.371 177.584 -0.016 0.000 1.214 122 A CA 0.350 52.394 52.037 0.011 0.000 0.900 122 A CB 0.027 19.041 19.000 0.024 0.000 0.942 122 A HN 0.532 nan 8.150 nan 0.000 0.507 123 M N -1.517 118.065 119.600 -0.030 0.000 2.337 123 M HA 0.243 4.723 4.480 0.001 0.000 0.256 123 M C 1.305 177.626 176.300 0.035 0.000 1.075 123 M CA 0.761 56.058 55.300 -0.004 0.000 1.024 123 M CB 0.648 33.239 32.600 -0.014 0.000 1.429 123 M HN 0.540 nan 8.290 nan 0.000 0.497 124 G N 2.194 111.023 108.800 0.048 0.000 2.148 124 G HA2 -0.281 3.680 3.960 0.001 0.000 0.254 124 G HA3 -0.281 3.680 3.960 0.001 0.000 0.254 124 G C 0.065 175.000 174.900 0.058 0.000 0.981 124 G CA 0.210 45.342 45.100 0.054 0.000 0.670 124 G HN 0.457 nan 8.290 nan 0.000 0.528 125 K N 0.937 121.385 120.400 0.079 0.000 2.285 125 K HA 0.465 4.786 4.320 0.001 0.000 0.286 125 K C 0.709 177.338 176.600 0.049 0.000 1.072 125 K CA -0.396 55.934 56.287 0.071 0.000 0.913 125 K CB 0.302 32.871 32.500 0.116 0.000 1.067 125 K HN 0.304 nan 8.250 nan 0.000 0.479 126 K N 2.782 123.190 120.400 0.014 0.000 2.177 126 K HA 0.203 4.524 4.320 0.001 0.000 0.238 126 K C 0.756 177.327 176.600 -0.048 0.000 1.015 126 K CA -0.764 55.523 56.287 -0.002 0.000 0.922 126 K CB 1.019 33.523 32.500 0.008 0.000 1.127 126 K HN 0.384 nan 8.250 nan 0.000 0.469 127 K N 1.032 121.405 120.400 -0.045 0.000 2.097 127 K HA -0.110 4.211 4.320 0.001 0.000 0.205 127 K C 1.690 178.268 176.600 -0.037 0.000 1.050 127 K CA 1.303 57.552 56.287 -0.064 0.000 0.938 127 K CB 0.004 32.477 32.500 -0.043 0.000 0.718 127 K HN 0.348 nan 8.250 nan 0.000 0.442 128 R N 0.928 121.420 120.500 -0.014 0.000 2.303 128 R HA -0.106 4.235 4.340 0.001 0.000 0.225 128 R C 0.823 177.125 176.300 0.004 0.000 1.114 128 R CA 0.847 56.948 56.100 0.003 0.000 1.007 128 R CB -0.108 30.196 30.300 0.007 0.000 0.861 128 R HN 0.242 nan 8.270 nan 0.000 0.471 129 D N 0.015 120.408 120.400 -0.011 0.000 2.354 129 D HA 0.065 4.705 4.640 0.001 0.000 0.209 129 D C 1.440 177.733 176.300 -0.012 0.000 1.015 129 D CA 0.713 54.708 54.000 -0.008 0.000 0.867 129 D CB 0.437 41.230 40.800 -0.012 0.000 0.933 129 D HN 0.282 nan 8.370 nan 0.000 0.520 130 I N -0.120 120.433 120.570 -0.028 0.000 4.139 130 I HA 0.141 4.312 4.170 0.001 0.000 0.335 130 I C 0.281 176.420 176.117 0.037 0.000 1.327 130 I CA 0.219 61.503 61.300 -0.026 0.000 1.112 130 I CB 0.660 38.594 38.000 -0.109 0.000 1.058 130 I HN -0.267 nan 8.210 nan 0.000 0.396 131 L N 0.185 121.450 121.223 0.069 0.000 2.350 131 L HA 0.501 4.842 4.340 0.001 0.000 0.260 131 L C -0.973 176.005 176.870 0.179 0.000 1.015 131 L CA -0.579 54.379 54.840 0.197 0.000 0.821 131 L CB 2.239 44.404 42.059 0.176 0.000 1.370 131 L HN -0.003 nan 8.230 nan 0.000 0.416 132 N N 0.209 119.036 118.700 0.212 0.000 2.533 132 N HA 0.146 4.887 4.740 0.001 0.000 0.289 132 N C 0.042 175.446 175.510 -0.177 0.000 1.103 132 N CA -0.554 52.499 53.050 0.005 0.000 0.877 132 N CB 1.798 40.251 38.487 -0.058 0.000 1.419 132 N HN 0.619 nan 8.380 nan 0.000 0.517 133 K N 1.039 121.406 120.400 -0.055 0.000 2.360 133 K HA -0.173 4.148 4.320 0.001 0.000 0.201 133 K C 1.289 177.789 176.600 -0.168 0.000 1.046 133 K CA 1.188 57.423 56.287 -0.086 0.000 0.945 133 K CB 0.153 32.667 32.500 0.024 0.000 0.750 133 K HN 0.492 nan 8.250 nan 0.000 0.464 134 Q N 0.622 120.333 119.800 -0.148 0.000 2.390 134 Q HA 0.063 4.404 4.340 0.001 0.000 0.216 134 Q C 1.521 177.430 176.000 -0.152 0.000 0.916 134 Q CA 1.131 56.860 55.803 -0.122 0.000 0.911 134 Q CB -0.480 28.217 28.738 -0.068 0.000 1.035 134 Q HN 0.191 nan 8.270 nan 0.000 0.541 135 T N 1.386 115.838 114.554 -0.170 0.000 2.896 135 T HA 0.101 4.451 4.350 0.001 0.000 0.263 135 T C 0.223 174.783 174.700 -0.234 0.000 1.050 135 T CA 0.590 62.600 62.100 -0.149 0.000 1.140 135 T CB -0.073 68.736 68.868 -0.099 0.000 0.877 135 T HN 0.391 nan 8.240 nan 0.000 0.457 136 R N 1.579 121.790 120.500 -0.482 0.000 3.525 136 R HA -0.135 4.206 4.340 0.001 0.000 0.276 136 R C -0.793 175.325 176.300 -0.304 0.000 1.116 136 R CA 0.346 55.935 56.100 -0.851 0.000 0.745 136 R CB -1.928 28.055 30.300 -0.527 0.000 1.185 136 R HN 0.425 nan 8.270 nan 0.000 0.454 137 D N 0.377 120.701 120.400 -0.126 0.000 2.382 137 D HA 0.084 4.725 4.640 0.001 0.000 0.245 137 D C 1.279 177.704 176.300 0.209 0.000 1.120 137 D CA 0.934 54.966 54.000 0.053 0.000 0.890 137 D CB 1.004 41.828 40.800 0.042 0.000 1.201 137 D HN 0.266 nan 8.370 nan 0.000 0.433 138 T N -0.609 114.033 114.554 0.147 0.000 3.016 138 T HA 0.135 4.486 4.350 0.001 0.000 0.271 138 T C 1.369 176.118 174.700 0.081 0.000 0.968 138 T CA -0.319 61.864 62.100 0.138 0.000 0.891 138 T CB -0.041 68.902 68.868 0.126 0.000 1.149 138 T HN 0.312 nan 8.240 nan 0.000 0.524 139 K N 1.161 121.601 120.400 0.066 0.000 2.152 139 K HA -0.116 4.205 4.320 0.001 0.000 0.206 139 K C 2.127 178.756 176.600 0.049 0.000 1.048 139 K CA 1.644 57.960 56.287 0.048 0.000 0.933 139 K CB -0.063 32.459 32.500 0.038 0.000 0.721 139 K HN 0.309 nan 8.250 nan 0.000 0.447 140 E N 1.171 121.404 120.200 0.054 0.000 2.001 140 E HA -0.141 4.210 4.350 0.001 0.000 0.195 140 E C 1.981 178.609 176.600 0.048 0.000 1.002 140 E CA 1.359 57.787 56.400 0.047 0.000 0.819 140 E CB -0.087 29.637 29.700 0.041 0.000 0.769 140 E HN 0.031 nan 8.360 nan 0.000 0.454 141 M N 0.238 119.861 119.600 0.039 0.000 2.088 141 M HA -0.246 4.235 4.480 0.001 0.000 0.256 141 M C 2.369 178.706 176.300 0.061 0.000 1.071 141 M CA 2.016 57.337 55.300 0.036 0.000 1.097 141 M CB -1.157 31.449 32.600 0.011 0.000 1.315 141 M HN 0.239 nan 8.290 nan 0.000 0.406 142 Q N 0.597 120.429 119.800 0.054 0.000 2.133 142 Q HA -0.233 4.108 4.340 0.001 0.000 0.208 142 Q C 1.884 177.916 176.000 0.054 0.000 0.991 142 Q CA 2.384 58.218 55.803 0.051 0.000 0.867 142 Q CB -0.415 28.349 28.738 0.043 0.000 0.911 142 Q HN 0.477 nan 8.270 nan 0.000 0.417 143 K N -0.715 119.717 120.400 0.054 0.000 2.097 143 K HA -0.089 4.232 4.320 0.001 0.000 0.205 143 K C 1.958 178.600 176.600 0.070 0.000 1.050 143 K CA 1.227 57.543 56.287 0.049 0.000 0.938 143 K CB -0.131 32.396 32.500 0.045 0.000 0.718 143 K HN 0.315 nan 8.250 nan 0.000 0.442 144 L N 0.845 122.143 121.223 0.125 0.000 2.217 144 L HA -0.111 4.229 4.340 0.001 0.000 0.211 144 L C 2.156 179.170 176.870 0.240 0.000 1.107 144 L CA 0.548 55.532 54.840 0.241 0.000 0.783 144 L CB -0.179 42.069 42.059 0.315 0.000 0.919 144 L HN 0.207 nan 8.230 nan 0.000 0.442 145 L N -0.717 120.598 121.223 0.154 0.000 2.179 145 L HA -0.137 4.204 4.340 0.001 0.000 0.208 145 L C 2.034 178.955 176.870 0.085 0.000 1.096 145 L CA 0.780 55.698 54.840 0.131 0.000 0.779 145 L CB -0.414 41.702 42.059 0.095 0.000 0.922 145 L HN 0.251 nan 8.230 nan 0.000 0.443 146 D N -0.702 119.728 120.400 0.050 0.000 2.183 146 D HA -0.110 4.531 4.640 0.001 0.000 0.203 146 D C 2.120 178.398 176.300 -0.037 0.000 0.969 146 D CA 1.404 55.410 54.000 0.010 0.000 0.842 146 D CB 0.015 40.817 40.800 0.002 0.000 0.957 146 D HN 0.250 nan 8.370 nan 0.000 0.484 147 T N -0.427 114.081 114.554 -0.076 0.000 2.809 147 T HA -0.093 4.258 4.350 0.001 0.000 0.260 147 T C 1.300 175.751 174.700 -0.415 0.000 1.039 147 T CA 0.865 62.787 62.100 -0.297 0.000 1.141 147 T CB -0.190 68.408 68.868 -0.450 0.000 0.869 147 T HN 0.233 nan 8.240 nan 0.000 0.437 148 Y N 0.732 121.052 120.300 0.033 0.000 2.531 148 Y HA 0.448 4.999 4.550 0.002 0.000 0.249 148 Y C 1.731 177.655 175.900 0.039 0.000 1.168 148 Y CA -0.419 57.691 58.100 0.016 0.000 1.226 148 Y CB -0.065 38.369 38.460 -0.043 0.000 1.177 148 Y HN 0.376 nan 8.280 nan 0.000 0.527 149 G N 2.232 111.115 108.800 0.139 0.000 2.581 149 G HA2 -0.333 3.628 3.960 0.001 0.000 0.291 149 G HA3 -0.333 3.628 3.960 0.001 0.000 0.291 149 G C 0.038 175.008 174.900 0.117 0.000 1.277 149 G CA 0.525 45.687 45.100 0.103 0.000 0.959 149 G HN 0.458 nan 8.290 nan 0.000 0.554 150 I N -3.862 116.755 120.570 0.078 0.000 3.516 150 I HA 0.750 4.921 4.170 0.001 0.000 0.302 150 I C 0.393 176.523 176.117 0.022 0.000 1.143 150 I CA -0.528 60.799 61.300 0.045 0.000 1.003 150 I CB 1.766 39.781 38.000 0.026 0.000 1.347 150 I HN 0.640 nan 8.210 nan 0.000 0.486 151 N N 1.098 119.752 118.700 -0.077 0.000 2.756 151 N HA -0.108 4.633 4.740 0.001 0.000 0.248 151 N C -1.143 174.478 175.510 0.185 0.000 1.062 151 N CA 0.577 53.634 53.050 0.011 0.000 0.696 151 N CB -1.205 37.311 38.487 0.049 0.000 0.946 151 N HN 0.487 nan 8.380 nan 0.000 0.548 152 L N 0.208 121.554 121.223 0.205 0.000 2.360 152 L HA 0.529 4.870 4.340 0.001 0.000 0.271 152 L C -1.606 175.387 176.870 0.205 0.000 1.057 152 L CA -1.801 53.183 54.840 0.240 0.000 0.803 152 L CB 0.667 42.869 42.059 0.238 0.000 1.207 152 L HN -0.142 nan 8.230 nan 0.000 0.445 153 P HA 0.016 nan 4.420 nan 0.000 0.269 153 P C -1.003 176.149 177.300 -0.247 0.000 1.211 153 P CA 0.099 62.990 63.100 -0.347 0.000 0.781 153 P CB 0.357 31.582 31.700 -0.791 0.000 0.877 154 L N 1.428 122.399 121.223 -0.420 0.000 2.265 154 L HA 0.287 4.628 4.340 0.001 0.000 0.289 154 L C -0.139 176.610 176.870 -0.201 0.000 1.033 154 L CA -1.071 53.620 54.840 -0.249 0.000 0.814 154 L CB 1.140 42.986 42.059 -0.356 0.000 1.203 154 L HN 0.071 nan 8.230 nan 0.000 0.423 155 V N 2.588 122.430 119.914 -0.119 0.000 2.555 155 V HA 0.101 4.222 4.120 0.001 0.000 0.286 155 V C 0.586 176.539 176.094 -0.236 0.000 1.044 155 V CA 0.053 62.233 62.300 -0.200 0.000 1.026 155 V CB 1.098 32.798 31.823 -0.205 0.000 0.981 155 V HN 0.728 nan 8.190 nan 0.000 0.480 156 T N 5.909 120.358 114.554 -0.174 0.000 2.756 156 T HA 0.538 4.889 4.350 0.001 0.000 0.290 156 T C -0.671 174.011 174.700 -0.029 0.000 0.985 156 T CA -0.045 62.049 62.100 -0.010 0.000 0.955 156 T CB 0.124 69.126 68.868 0.223 0.000 0.930 156 T HN 0.448 nan 8.240 nan 0.000 0.451 157 Y N 1.131 121.548 120.300 0.196 0.000 2.457 157 Y HA 0.530 5.081 4.550 0.001 0.000 0.333 157 Y C 0.392 176.372 175.900 0.133 0.000 1.119 157 Y CA -1.328 56.874 58.100 0.171 0.000 1.143 157 Y CB 1.112 39.637 38.460 0.108 0.000 1.230 157 Y HN 0.257 nan 8.280 nan 0.000 0.469 158 V N 2.857 122.967 119.914 0.328 0.000 2.530 158 V HA 0.105 4.226 4.120 0.001 0.000 0.282 158 V C 0.078 176.256 176.094 0.141 0.000 1.048 158 V CA -1.104 61.311 62.300 0.191 0.000 0.997 158 V CB 0.982 32.947 31.823 0.236 0.000 0.987 158 V HN 0.610 nan 8.190 nan 0.000 0.477 159 K N 2.989 123.433 120.400 0.074 0.000 2.379 159 K HA 0.079 4.400 4.320 0.001 0.000 0.284 159 K C -0.235 176.369 176.600 0.007 0.000 1.044 159 K CA -0.370 55.939 56.287 0.037 0.000 0.974 159 K CB 0.350 32.857 32.500 0.012 0.000 0.962 159 K HN 0.714 nan 8.250 nan 0.000 0.474 160 D N 5.066 125.458 120.400 -0.013 0.000 2.483 160 D HA 0.049 4.690 4.640 0.001 0.000 0.220 160 D C -0.841 175.417 176.300 -0.069 0.000 1.173 160 D CA -0.038 53.938 54.000 -0.040 0.000 0.964 160 D CB 0.142 40.917 40.800 -0.041 0.000 1.046 160 D HN 0.599 nan 8.370 nan 0.000 0.517 161 E N 1.503 121.650 120.200 -0.088 0.000 2.449 161 E HA 0.422 4.773 4.350 0.001 0.000 0.278 161 E C -0.732 175.765 176.600 -0.172 0.000 0.992 161 E CA -1.027 55.302 56.400 -0.118 0.000 0.807 161 E CB 0.796 30.444 29.700 -0.086 0.000 1.350 161 E HN 0.081 nan 8.360 nan 0.000 0.462 162 L N 0.983 122.079 121.223 -0.211 0.000 2.436 162 L HA 0.478 4.819 4.340 0.001 0.000 0.265 162 L C 0.271 177.045 176.870 -0.160 0.000 1.168 162 L CA -0.551 54.126 54.840 -0.272 0.000 0.815 162 L CB 0.263 42.142 42.059 -0.301 0.000 1.109 162 L HN 0.445 nan 8.230 nan 0.000 0.462 163 R N 0.475 120.889 120.500 -0.144 0.000 2.707 163 R HA 0.342 4.683 4.340 0.001 0.000 0.272 163 R C -0.790 175.479 176.300 -0.052 0.000 1.011 163 R CA -0.845 55.207 56.100 -0.080 0.000 0.893 163 R CB 1.814 32.075 30.300 -0.065 0.000 1.233 163 R HN 0.755 nan 8.270 nan 0.000 0.464 164 S N 0.433 116.117 115.700 -0.026 0.000 2.580 164 S HA 0.011 4.482 4.470 0.001 0.000 0.266 164 S C 1.217 175.817 174.600 0.001 0.000 1.354 164 S CA -0.267 57.930 58.200 -0.005 0.000 1.008 164 S CB 1.127 64.327 63.200 -0.000 0.000 0.898 164 S HN 0.612 nan 8.310 nan 0.000 0.555 165 K N 1.254 121.664 120.400 0.016 0.000 2.032 165 K HA -0.093 4.228 4.320 0.001 0.000 0.209 165 K C 2.087 178.698 176.600 0.017 0.000 1.048 165 K CA 2.351 58.652 56.287 0.023 0.000 0.927 165 K CB -1.293 31.227 32.500 0.033 0.000 0.712 165 K HN 0.784 nan 8.250 nan 0.000 0.441 166 T N 0.927 115.490 114.554 0.014 0.000 2.622 166 T HA -0.129 4.222 4.350 0.001 0.000 0.266 166 T C 1.581 176.287 174.700 0.009 0.000 1.047 166 T CA 1.853 63.960 62.100 0.012 0.000 1.159 166 T CB -0.210 68.663 68.868 0.008 0.000 0.863 166 T HN 0.313 nan 8.240 nan 0.000 0.422 167 K N 0.566 120.967 120.400 0.002 0.000 2.281 167 K HA -0.030 4.291 4.320 0.001 0.000 0.203 167 K C 2.156 178.761 176.600 0.008 0.000 1.046 167 K CA 0.674 56.959 56.287 -0.002 0.000 0.938 167 K CB -0.216 32.275 32.500 -0.014 0.000 0.737 167 K HN 0.200 nan 8.250 nan 0.000 0.458 168 V N 1.346 121.265 119.914 0.010 0.000 2.446 168 V HA -0.150 3.971 4.120 0.001 0.000 0.244 168 V C 1.766 177.880 176.094 0.033 0.000 1.039 168 V CA 1.513 63.823 62.300 0.017 0.000 1.045 168 V CB -0.221 31.604 31.823 0.004 0.000 0.681 168 V HN 0.290 nan 8.190 nan 0.000 0.459 169 E N -0.080 120.137 120.200 0.028 0.000 2.274 169 E HA -0.162 4.189 4.350 0.001 0.000 0.194 169 E C 1.672 178.296 176.600 0.040 0.000 0.996 169 E CA 0.678 57.098 56.400 0.033 0.000 0.840 169 E CB 0.002 29.718 29.700 0.027 0.000 0.772 169 E HN 0.650 nan 8.360 nan 0.000 0.491 170 Q N -0.511 119.310 119.800 0.035 0.000 2.198 170 Q HA 0.151 4.492 4.340 0.001 0.000 0.209 170 Q C 0.664 176.689 176.000 0.042 0.000 0.848 170 Q CA 0.171 55.993 55.803 0.032 0.000 0.974 170 Q CB 1.211 29.956 28.738 0.012 0.000 1.115 170 Q HN 0.310 nan 8.270 nan 0.000 0.494 171 G N 2.115 110.965 108.800 0.082 0.000 2.296 171 G HA2 -0.288 3.673 3.960 0.001 0.000 0.282 171 G HA3 -0.288 3.673 3.960 0.001 0.000 0.282 171 G C 0.340 175.260 174.900 0.034 0.000 1.014 171 G CA 0.252 45.440 45.100 0.148 0.000 0.812 171 G HN 0.133 nan 8.290 nan 0.000 0.508 172 K N 1.104 121.501 120.400 -0.005 0.000 3.245 172 K HA 0.159 4.480 4.320 0.001 0.000 0.285 172 K C 0.720 177.286 176.600 -0.057 0.000 1.156 172 K CA 0.216 56.471 56.287 -0.054 0.000 1.162 172 K CB -0.262 32.213 32.500 -0.042 0.000 1.365 172 K HN 0.389 nan 8.250 nan 0.000 0.316 173 S N 1.129 116.797 115.700 -0.053 0.000 2.545 173 S HA 0.269 4.740 4.470 0.001 0.000 0.275 173 S C 0.502 175.037 174.600 -0.108 0.000 1.299 173 S CA -0.602 57.575 58.200 -0.038 0.000 1.048 173 S CB 1.294 64.529 63.200 0.060 0.000 0.938 173 S HN 0.296 nan 8.310 nan 0.000 0.496 174 R N 1.560 122.011 120.500 -0.082 0.000 2.490 174 R HA 0.427 4.768 4.340 0.001 0.000 0.278 174 R C -0.541 175.706 176.300 -0.088 0.000 1.069 174 R CA -0.380 55.660 56.100 -0.101 0.000 1.080 174 R CB 0.399 30.659 30.300 -0.067 0.000 1.030 174 R HN 0.495 nan 8.270 nan 0.000 0.491 175 L N 3.215 124.366 121.223 -0.119 0.000 2.334 175 L HA 0.498 4.839 4.340 0.001 0.000 0.275 175 L C -0.039 176.840 176.870 0.015 0.000 1.036 175 L CA -0.652 54.143 54.840 -0.075 0.000 0.807 175 L CB 1.274 43.230 42.059 -0.172 0.000 1.231 175 L HN 0.447 nan 8.230 nan 0.000 0.438 176 I N 2.027 122.655 120.570 0.096 0.000 2.382 176 I HA 0.200 4.371 4.170 0.001 0.000 0.285 176 I C -0.718 175.506 176.117 0.177 0.000 1.007 176 I CA -0.559 60.828 61.300 0.145 0.000 1.142 176 I CB 1.620 39.737 38.000 0.196 0.000 1.289 176 I HN 0.557 nan 8.210 nan 0.000 0.453 177 E N 5.658 125.953 120.200 0.159 0.000 2.014 177 E HA 0.441 4.792 4.350 0.001 0.000 0.275 177 E C -0.161 176.532 176.600 0.155 0.000 0.997 177 E CA -0.269 56.236 56.400 0.174 0.000 0.804 177 E CB 1.263 31.125 29.700 0.269 0.000 1.090 177 E HN 0.601 nan 8.360 nan 0.000 0.401 178 A N 2.909 125.827 122.820 0.162 0.000 2.276 178 A HA 0.441 4.761 4.320 0.001 0.000 0.300 178 A C 0.387 178.063 177.584 0.152 0.000 1.235 178 A CA -0.723 51.427 52.037 0.189 0.000 0.867 178 A CB 0.241 19.424 19.000 0.304 0.000 1.137 178 A HN 0.593 nan 8.150 nan 0.000 0.527 179 S N 2.629 118.432 115.700 0.172 0.000 2.603 179 S HA 0.427 4.898 4.470 0.001 0.000 0.268 179 S C 0.631 175.355 174.600 0.206 0.000 1.317 179 S CA 0.074 58.401 58.200 0.212 0.000 1.012 179 S CB 0.971 64.350 63.200 0.298 0.000 0.926 179 S HN 1.111 nan 8.310 nan 0.000 0.539 180 S N 0.534 116.365 115.700 0.217 0.000 2.576 180 S HA 0.077 4.548 4.470 0.001 0.000 0.272 180 S C 1.084 175.815 174.600 0.219 0.000 1.352 180 S CA -0.612 57.723 58.200 0.226 0.000 1.021 180 S CB 0.101 63.425 63.200 0.207 0.000 0.887 180 S HN 0.813 nan 8.310 nan 0.000 0.542 181 L N 4.357 125.732 121.223 0.254 0.000 2.079 181 L HA -0.079 4.262 4.340 0.001 0.000 0.210 181 L C 1.822 178.783 176.870 0.152 0.000 1.081 181 L CA 2.023 56.957 54.840 0.156 0.000 0.752 181 L CB -1.289 40.802 42.059 0.054 0.000 0.896 181 L HN 0.721 nan 8.230 nan 0.000 0.433 182 N N 0.219 119.055 118.700 0.227 0.000 2.043 182 N HA -0.200 4.541 4.740 0.001 0.000 0.193 182 N C 1.553 177.131 175.510 0.115 0.000 1.037 182 N CA 1.784 54.939 53.050 0.175 0.000 0.851 182 N CB -0.583 38.029 38.487 0.208 0.000 1.027 182 N HN 0.433 nan 8.380 nan 0.000 0.422 183 D N -0.143 120.319 120.400 0.103 0.000 2.092 183 D HA -0.120 4.521 4.640 0.001 0.000 0.193 183 D C 1.937 178.289 176.300 0.086 0.000 0.994 183 D CA 0.927 54.951 54.000 0.041 0.000 0.828 183 D CB -0.585 40.207 40.800 -0.013 0.000 0.963 183 D HN 0.126 nan 8.370 nan 0.000 0.450 184 S N 0.064 115.837 115.700 0.122 0.000 2.359 184 S HA -0.160 4.311 4.470 0.001 0.000 0.223 184 S C 2.247 176.895 174.600 0.080 0.000 1.039 184 S CA 1.395 59.666 58.200 0.117 0.000 1.042 184 S CB -0.394 62.870 63.200 0.105 0.000 0.915 184 S HN 0.051 nan 8.310 nan 0.000 0.439 185 V N 2.285 122.231 119.914 0.054 0.000 2.255 185 V HA -0.204 3.917 4.120 0.001 0.000 0.247 185 V C 2.843 178.943 176.094 0.011 0.000 1.051 185 V CA 1.969 64.283 62.300 0.023 0.000 1.018 185 V CB -1.500 30.329 31.823 0.011 0.000 0.641 185 V HN 0.638 nan 8.190 nan 0.000 0.445 186 A N -0.466 122.361 122.820 0.013 0.000 1.873 186 A HA -0.294 4.027 4.320 0.001 0.000 0.218 186 A C 2.251 179.702 177.584 -0.221 0.000 1.193 186 A CA 2.546 54.563 52.037 -0.033 0.000 0.629 186 A CB -0.572 18.477 19.000 0.082 0.000 0.826 186 A HN 0.506 nan 8.150 nan 0.000 0.447 187 M N -1.332 118.145 119.600 -0.205 0.000 2.202 187 M HA -0.176 4.305 4.480 0.001 0.000 0.262 187 M C 2.329 178.630 176.300 0.003 0.000 1.063 187 M CA 1.557 56.728 55.300 -0.215 0.000 1.097 187 M CB -0.341 32.336 32.600 0.127 0.000 1.382 187 M HN 0.369 nan 8.290 nan 0.000 0.413 188 R N -0.190 120.362 120.500 0.088 0.000 2.115 188 R HA -0.005 4.336 4.340 0.001 0.000 0.230 188 R C 2.131 178.442 176.300 0.019 0.000 1.111 188 R CA 1.186 57.383 56.100 0.162 0.000 0.976 188 R CB -0.162 30.234 30.300 0.160 0.000 0.870 188 R HN 0.423 nan 8.270 nan 0.000 0.445 189 M N -0.301 119.265 119.600 -0.056 0.000 2.156 189 M HA -0.015 4.466 4.480 0.001 0.000 0.264 189 M C 2.522 178.731 176.300 -0.152 0.000 1.067 189 M CA 1.462 56.719 55.300 -0.071 0.000 1.131 189 M CB -0.262 32.304 32.600 -0.057 0.000 1.368 189 M HN 0.197 nan 8.290 nan 0.000 0.416 190 A N 0.274 122.898 122.820 -0.325 0.000 1.877 190 A HA -0.112 4.209 4.320 0.001 0.000 0.216 190 A C 1.363 178.591 177.584 -0.594 0.000 1.186 190 A CA 1.602 53.292 52.037 -0.578 0.000 0.620 190 A CB -0.595 17.741 19.000 -1.107 0.000 0.822 190 A HN 0.493 nan 8.150 nan 0.000 0.443 191 F N -0.749 119.085 119.950 -0.192 0.000 2.683 191 F HA 0.311 4.839 4.527 0.002 0.000 0.306 191 F C 2.075 177.457 175.800 -0.697 0.000 1.102 191 F CA -0.417 57.328 58.000 -0.424 0.000 1.244 191 F CB -0.435 38.164 39.000 -0.669 0.000 1.029 191 F HN 0.207 nan 8.300 nan 0.000 0.545 192 G N 1.010 109.691 108.800 -0.199 0.000 2.529 192 G HA2 -0.338 3.622 3.960 0.001 0.000 0.219 192 G HA3 -0.338 3.622 3.960 0.001 0.000 0.219 192 G C 1.742 176.646 174.900 0.007 0.000 1.177 192 G CA 1.280 46.354 45.100 -0.043 0.000 0.773 192 G HN 0.238 nan 8.290 nan 0.000 0.573 193 N N 0.259 118.996 118.700 0.062 0.000 2.149 193 N HA -0.095 4.646 4.740 0.001 0.000 0.188 193 N C 2.042 177.622 175.510 0.117 0.000 1.019 193 N CA 1.086 54.210 53.050 0.125 0.000 0.857 193 N CB -0.430 38.161 38.487 0.174 0.000 0.997 193 N HN 0.331 nan 8.380 nan 0.000 0.426 194 L N 0.354 121.584 121.223 0.011 0.000 2.017 194 L HA -0.126 4.214 4.340 0.001 0.000 0.208 194 L C 1.784 178.601 176.870 -0.088 0.000 1.073 194 L CA 1.564 56.327 54.840 -0.129 0.000 0.745 194 L CB -0.893 40.833 42.059 -0.555 0.000 0.894 194 L HN 0.027 nan 8.230 nan 0.000 0.432 195 Y N 0.291 120.502 120.300 -0.148 0.000 2.097 195 Y HA -0.179 4.372 4.550 0.002 0.000 0.282 195 Y C 2.697 178.478 175.900 -0.200 0.000 1.152 195 Y CA 0.965 58.894 58.100 -0.284 0.000 1.136 195 Y CB -1.743 36.641 38.460 -0.126 0.000 0.975 195 Y HN 0.309 nan 8.280 nan 0.000 0.498 196 A N 0.286 123.232 122.820 0.210 0.000 1.908 196 A HA -0.180 4.141 4.320 0.001 0.000 0.218 196 A C 2.553 180.230 177.584 0.156 0.000 1.181 196 A CA 2.363 54.538 52.037 0.231 0.000 0.627 196 A CB -1.321 17.791 19.000 0.185 0.000 0.818 196 A HN 0.425 nan 8.150 nan 0.000 0.445 197 A N -1.219 121.688 122.820 0.145 0.000 1.883 197 A HA -0.045 4.276 4.320 0.001 0.000 0.217 197 A C 1.965 179.597 177.584 0.080 0.000 1.186 197 A CA 1.700 53.808 52.037 0.119 0.000 0.624 197 A CB -0.768 18.321 19.000 0.148 0.000 0.822 197 A HN 0.455 nan 8.150 nan 0.000 0.444 198 F N -0.116 119.753 119.950 -0.135 0.000 2.102 198 F HA -0.150 4.377 4.527 0.001 0.000 0.298 198 F C 2.413 178.114 175.800 -0.166 0.000 1.105 198 F CA 1.975 59.859 58.000 -0.193 0.000 1.239 198 F CB -0.993 37.828 39.000 -0.298 0.000 0.991 198 F HN 0.405 nan 8.300 nan 0.000 0.474 199 H N -0.574 118.585 119.070 0.148 0.000 2.353 199 H HA -0.099 4.458 4.556 0.001 0.000 0.300 199 H C 1.783 177.118 175.328 0.012 0.000 1.090 199 H CA 1.459 57.538 56.048 0.051 0.000 1.327 199 H CB -0.189 29.600 29.762 0.044 0.000 1.383 199 H HN 0.159 nan 8.280 nan 0.000 0.508 200 K N 0.417 120.896 120.400 0.132 0.000 2.525 200 K HA 0.022 4.343 4.320 0.001 0.000 0.192 200 K C 0.023 176.634 176.600 0.018 0.000 1.029 200 K CA 0.334 56.662 56.287 0.068 0.000 1.029 200 K CB 0.416 32.957 32.500 0.068 0.000 0.814 200 K HN 0.326 nan 8.250 nan 0.000 0.503 201 N N 1.324 120.010 118.700 -0.023 0.000 2.646 201 N HA 0.136 4.877 4.740 0.001 0.000 0.303 201 N C -2.881 172.574 175.510 -0.092 0.000 1.921 201 N CA -0.950 52.063 53.050 -0.063 0.000 0.872 201 N CB 1.304 39.726 38.487 -0.108 0.000 1.327 201 N HN 0.056 nan 8.380 nan 0.000 0.492 202 P HA 0.315 nan 4.420 nan 0.000 0.276 202 P C 0.386 177.718 177.300 0.054 0.000 1.235 202 P CA 0.543 63.558 63.100 -0.142 0.000 0.772 202 P CB 1.532 32.954 31.700 -0.464 0.000 0.871 203 G N 1.010 109.909 108.800 0.165 0.000 2.367 203 G HA2 0.149 4.109 3.960 0.001 0.000 0.272 203 G HA3 0.149 4.109 3.960 0.001 0.000 0.272 203 G C 0.243 175.224 174.900 0.135 0.000 1.271 203 G CA -0.144 45.115 45.100 0.264 0.000 0.893 203 G HN 0.318 nan 8.290 nan 0.000 0.485 204 V N -0.656 119.311 119.914 0.087 0.000 3.623 204 V HA 0.324 4.444 4.120 0.001 0.000 0.271 204 V C 1.804 177.925 176.094 0.045 0.000 1.248 204 V CA 0.715 63.048 62.300 0.055 0.000 1.156 204 V CB -0.392 31.451 31.823 0.033 0.000 0.870 204 V HN 0.545 nan 8.190 nan 0.000 0.453 205 I N 2.304 122.878 120.570 0.006 0.000 2.628 205 I HA -0.041 4.130 4.170 0.001 0.000 0.255 205 I C 2.724 178.792 176.117 -0.081 0.000 1.119 205 I CA 1.997 63.276 61.300 -0.035 0.000 1.448 205 I CB -1.295 36.668 38.000 -0.062 0.000 1.133 205 I HN 0.556 nan 8.210 nan 0.000 0.438 206 T N -1.512 112.942 114.554 -0.167 0.000 3.014 206 T HA 0.132 4.483 4.350 0.001 0.000 0.263 206 T C 1.703 176.413 174.700 0.016 0.000 1.078 206 T CA 0.878 62.760 62.100 -0.364 0.000 1.135 206 T CB -0.200 68.198 68.868 -0.784 0.000 0.895 206 T HN 0.455 nan 8.240 nan 0.000 0.480 207 G N 0.690 109.535 108.800 0.075 0.000 2.148 207 G HA2 -0.230 3.731 3.960 0.001 0.000 0.254 207 G HA3 -0.230 3.731 3.960 0.001 0.000 0.254 207 G C 0.122 175.097 174.900 0.126 0.000 0.981 207 G CA 0.421 45.599 45.100 0.131 0.000 0.670 207 G HN 1.021 nan 8.290 nan 0.000 0.528 208 S N -1.031 114.731 115.700 0.104 0.000 2.532 208 S HA 0.820 5.291 4.470 0.001 0.000 0.301 208 S C 0.767 175.449 174.600 0.135 0.000 1.083 208 S CA 0.478 58.759 58.200 0.136 0.000 1.025 208 S CB 1.834 65.161 63.200 0.211 0.000 1.056 208 S HN 1.580 nan 8.310 nan 0.000 0.494 209 A N 3.153 126.086 122.820 0.189 0.000 2.469 209 A HA 0.443 4.763 4.320 0.001 0.000 0.245 209 A C 0.126 177.800 177.584 0.150 0.000 1.221 209 A CA -0.091 52.090 52.037 0.241 0.000 0.946 209 A CB -0.023 19.398 19.000 0.700 0.000 1.049 209 A HN 0.670 nan 8.150 nan 0.000 0.529 210 V N 0.949 120.794 119.914 -0.115 0.000 2.557 210 V HA 0.345 4.466 4.120 0.001 0.000 0.301 210 V C 1.635 177.799 176.094 0.117 0.000 1.026 210 V CA 1.611 63.765 62.300 -0.244 0.000 1.137 210 V CB 0.023 31.621 31.823 -0.374 0.000 0.917 210 V HN 1.253 nan 8.190 nan 0.000 0.484 211 G N 3.069 111.992 108.800 0.206 0.000 2.143 211 G HA2 -0.261 3.699 3.960 0.001 0.000 0.248 211 G HA3 -0.261 3.699 3.960 0.001 0.000 0.248 211 G C 0.355 175.285 174.900 0.050 0.000 0.991 211 G CA 0.053 45.230 45.100 0.129 0.000 0.689 211 G HN 1.363 nan 8.290 nan 0.000 0.522 212 C N -0.772 118.545 119.300 0.028 0.000 2.403 212 C HA 0.768 5.229 4.460 0.001 0.000 0.361 212 C C 0.388 175.385 174.990 0.011 0.000 1.274 212 C CA -0.767 58.189 59.018 -0.104 0.000 2.433 212 C CB 1.769 29.268 27.740 -0.401 0.000 2.323 212 C HN 0.488 nan 8.230 nan 0.000 0.614 213 D N 1.502 121.931 120.400 0.049 0.000 2.460 213 D HA 0.411 5.052 4.640 0.001 0.000 0.232 213 D C -1.674 174.731 176.300 0.174 0.000 1.079 213 D CA -2.173 51.872 54.000 0.076 0.000 0.864 213 D CB 1.338 42.171 40.800 0.056 0.000 1.048 213 D HN 0.303 nan 8.370 nan 0.000 0.523 214 P HA -0.110 nan 4.420 nan 0.000 0.217 214 P C 0.732 178.014 177.300 -0.030 0.000 1.148 214 P CA 0.779 63.852 63.100 -0.046 0.000 0.828 214 P CB 0.385 31.715 31.700 -0.616 0.000 0.783 215 D N -1.033 119.376 120.400 0.015 0.000 2.182 215 D HA -0.120 4.521 4.640 0.001 0.000 0.201 215 D C 1.894 178.411 176.300 0.362 0.000 0.986 215 D CA 1.118 55.256 54.000 0.229 0.000 0.847 215 D CB -0.378 40.632 40.800 0.349 0.000 0.942 215 D HN 0.242 nan 8.370 nan 0.000 0.467 216 L N -1.206 120.146 121.223 0.216 0.000 2.286 216 L HA 0.050 4.391 4.340 0.001 0.000 0.203 216 L C 2.121 179.246 176.870 0.425 0.000 1.068 216 L CA -0.001 54.938 54.840 0.165 0.000 0.811 216 L CB -0.170 41.897 42.059 0.014 0.000 0.989 216 L HN -0.112 nan 8.230 nan 0.000 0.467 217 F N 0.217 120.353 119.950 0.310 0.000 2.171 217 F HA -0.224 4.304 4.527 0.001 0.000 0.300 217 F C 2.239 178.341 175.800 0.503 0.000 1.090 217 F CA 1.349 59.581 58.000 0.386 0.000 1.293 217 F CB -0.366 38.884 39.000 0.417 0.000 1.013 217 F HN 0.101 nan 8.300 nan 0.000 0.486 218 W N 0.117 121.498 121.300 0.136 0.000 2.331 218 W HA -0.261 4.400 4.660 0.001 0.000 0.291 218 W C 2.388 178.974 176.519 0.112 0.000 1.214 218 W CA 1.250 58.638 57.345 0.072 0.000 1.228 218 W CB -0.509 28.935 29.460 -0.026 0.000 1.135 218 W HN -0.017 nan 8.180 nan 0.000 0.537 219 S N -0.262 115.644 115.700 0.343 0.000 2.453 219 S HA -0.088 4.383 4.470 0.001 0.000 0.231 219 S C 1.450 176.085 174.600 0.057 0.000 1.005 219 S CA 0.907 59.214 58.200 0.179 0.000 0.949 219 S CB -0.087 63.215 63.200 0.170 0.000 0.774 219 S HN 0.314 nan 8.310 nan 0.000 0.510 220 K N 0.957 121.372 120.400 0.024 0.000 2.166 220 K HA 0.206 4.527 4.320 0.001 0.000 0.201 220 K C 1.825 178.319 176.600 -0.177 0.000 1.052 220 K CA 0.489 56.742 56.287 -0.056 0.000 0.969 220 K CB -0.221 32.281 32.500 0.003 0.000 0.761 220 K HN 0.265 nan 8.250 nan 0.000 0.459 221 I N 1.778 122.153 120.570 -0.326 0.000 2.091 221 I HA -0.289 3.882 4.170 0.001 0.000 0.240 221 I C -0.897 175.121 176.117 -0.165 0.000 1.046 221 I CA 1.743 62.849 61.300 -0.323 0.000 1.306 221 I CB -1.315 36.459 38.000 -0.377 0.000 1.018 221 I HN 0.055 nan 8.210 nan 0.000 0.404 222 P HA -0.154 nan 4.420 nan 0.000 0.216 222 P C 1.929 179.125 177.300 -0.174 0.000 1.153 222 P CA 1.383 64.240 63.100 -0.405 0.000 0.858 222 P CB -0.024 31.214 31.700 -0.769 0.000 0.789 223 V N -0.562 119.264 119.914 -0.145 0.000 2.261 223 V HA -0.237 3.884 4.120 0.001 0.000 0.246 223 V C 2.411 178.477 176.094 -0.045 0.000 1.047 223 V CA 1.760 64.010 62.300 -0.083 0.000 1.015 223 V CB -1.361 30.425 31.823 -0.061 0.000 0.642 223 V HN 0.079 nan 8.190 nan 0.000 0.446 224 L N -0.984 120.209 121.223 -0.050 0.000 2.275 224 L HA -0.065 4.275 4.340 0.001 0.000 0.215 224 L C 1.235 178.095 176.870 -0.016 0.000 1.119 224 L CA 0.536 55.358 54.840 -0.030 0.000 0.790 224 L CB -0.402 41.633 42.059 -0.041 0.000 0.919 224 L HN 0.305 nan 8.230 nan 0.000 0.443 225 M N 0.207 119.809 119.600 0.002 0.000 2.242 225 M HA 0.136 4.617 4.480 0.001 0.000 0.344 225 M C 0.579 176.906 176.300 0.045 0.000 1.140 225 M CA 0.237 55.552 55.300 0.026 0.000 1.160 225 M CB 0.691 33.352 32.600 0.101 0.000 1.491 225 M HN -0.034 nan 8.290 nan 0.000 0.459 226 E N 1.124 121.339 120.200 0.025 0.000 2.376 226 E HA -0.008 4.343 4.350 0.001 0.000 0.254 226 E C 0.746 177.356 176.600 0.017 0.000 1.213 226 E CA -0.102 56.304 56.400 0.010 0.000 0.945 226 E CB 0.429 30.123 29.700 -0.011 0.000 1.057 226 E HN 0.557 nan 8.360 nan 0.000 0.479 227 E N 0.816 121.002 120.200 -0.023 0.000 2.070 227 E HA -0.163 4.188 4.350 0.001 0.000 0.197 227 E C -0.265 176.335 176.600 0.001 0.000 1.004 227 E CA 1.653 58.050 56.400 -0.006 0.000 0.805 227 E CB 0.232 29.890 29.700 -0.069 0.000 0.744 227 E HN 0.051 nan 8.360 nan 0.000 0.451 228 K N 0.866 121.261 120.400 -0.009 0.000 2.293 228 K HA 0.287 4.608 4.320 0.001 0.000 0.267 228 K C -0.486 176.133 176.600 0.031 0.000 1.010 228 K CA -0.402 55.889 56.287 0.007 0.000 0.875 228 K CB 1.184 33.710 32.500 0.044 0.000 1.106 228 K HN 0.141 nan 8.250 nan 0.000 0.450 229 L N 4.171 125.324 121.223 -0.116 0.000 2.395 229 L HA 0.481 4.822 4.340 0.001 0.000 0.269 229 L C 0.078 176.942 176.870 -0.010 0.000 1.133 229 L CA -0.739 53.972 54.840 -0.215 0.000 0.812 229 L CB 0.080 41.803 42.059 -0.560 0.000 1.125 229 L HN 0.478 nan 8.230 nan 0.000 0.452 230 F N 0.807 120.656 119.950 -0.169 0.000 2.619 230 F HA 0.920 5.448 4.527 0.001 0.000 0.308 230 F C -0.718 175.023 175.800 -0.099 0.000 1.097 230 F CA -0.861 57.093 58.000 -0.077 0.000 0.953 230 F CB 1.492 40.494 39.000 0.003 0.000 1.287 230 F HN 0.531 nan 8.300 nan 0.000 0.446 231 A N 2.331 125.170 122.820 0.031 0.000 2.599 231 A HA 0.933 5.254 4.320 0.001 0.000 0.290 231 A C -1.885 175.760 177.584 0.102 0.000 1.101 231 A CA -0.548 51.374 52.037 -0.191 0.000 0.674 231 A CB 1.577 20.397 19.000 -0.299 0.000 1.277 231 A HN 1.693 nan 8.150 nan 0.000 0.419 232 F N -1.432 118.494 119.950 -0.041 0.000 2.807 232 F HA 0.735 5.263 4.527 0.001 0.000 0.316 232 F C -1.532 174.180 175.800 -0.146 0.000 1.162 232 F CA -1.039 56.941 58.000 -0.034 0.000 0.910 232 F CB 0.593 39.614 39.000 0.035 0.000 1.314 232 F HN 0.378 nan 8.300 nan 0.000 0.454 233 D N 0.151 120.607 120.400 0.093 0.000 2.272 233 D HA 0.419 5.059 4.640 0.001 0.000 0.247 233 D C -1.412 174.923 176.300 0.058 0.000 0.990 233 D CA -0.133 53.876 54.000 0.014 0.000 0.931 233 D CB 1.712 42.526 40.800 0.024 0.000 1.195 233 D HN 0.542 nan 8.370 nan 0.000 0.477 234 Y N -0.385 120.024 120.300 0.181 0.000 2.446 234 Y HA 0.372 4.923 4.550 0.002 0.000 0.338 234 Y C 0.594 176.575 175.900 0.137 0.000 1.055 234 Y CA -0.620 57.609 58.100 0.216 0.000 1.101 234 Y CB 1.937 40.566 38.460 0.281 0.000 1.221 234 Y HN 0.020 nan 8.280 nan 0.000 0.460 235 T N 1.714 116.445 114.554 0.294 0.000 2.758 235 T HA 0.410 4.761 4.350 0.001 0.000 0.285 235 T C 0.506 175.297 174.700 0.152 0.000 0.981 235 T CA -0.271 61.928 62.100 0.165 0.000 0.965 235 T CB 0.849 69.780 68.868 0.104 0.000 0.927 235 T HN 1.041 nan 8.240 nan 0.000 0.448 236 G N 2.386 111.249 108.800 0.105 0.000 2.366 236 G HA2 -0.343 3.618 3.960 0.001 0.000 0.299 236 G HA3 -0.343 3.618 3.960 0.001 0.000 0.299 236 G C 0.518 175.464 174.900 0.078 0.000 1.020 236 G CA 0.783 45.916 45.100 0.054 0.000 1.026 236 G HN 0.908 nan 8.290 nan 0.000 0.512 237 Y N 0.544 120.834 120.300 -0.016 0.000 2.002 237 Y HA -0.294 4.257 4.550 0.001 0.000 0.268 237 Y C 2.434 178.264 175.900 -0.118 0.000 1.177 237 Y CA 2.735 60.756 58.100 -0.131 0.000 1.111 237 Y CB -0.249 38.058 38.460 -0.256 0.000 0.952 237 Y HN 0.418 nan 8.280 nan 0.000 0.491 238 D N 0.071 120.498 120.400 0.044 0.000 2.126 238 D HA -0.274 4.367 4.640 0.001 0.000 0.190 238 D C 2.206 178.482 176.300 -0.040 0.000 1.001 238 D CA 2.072 56.063 54.000 -0.014 0.000 0.841 238 D CB -0.765 40.084 40.800 0.081 0.000 0.949 238 D HN 0.516 nan 8.370 nan 0.000 0.446 239 A N 0.236 123.035 122.820 -0.035 0.000 2.066 239 A HA -0.071 4.250 4.320 0.001 0.000 0.218 239 A C 2.065 179.659 177.584 0.017 0.000 1.157 239 A CA 1.610 53.640 52.037 -0.012 0.000 0.670 239 A CB -0.420 18.484 19.000 -0.159 0.000 0.804 239 A HN 0.300 nan 8.150 nan 0.000 0.453 240 S N -0.574 115.099 115.700 -0.045 0.000 2.562 240 S HA 0.244 4.714 4.470 0.001 0.000 0.221 240 S C 0.462 175.066 174.600 0.006 0.000 0.975 240 S CA -0.314 57.877 58.200 -0.014 0.000 0.918 240 S CB -0.597 62.598 63.200 -0.010 0.000 0.772 240 S HN 0.367 nan 8.310 nan 0.000 0.531 241 L N 3.013 124.214 121.223 -0.038 0.000 2.418 241 L HA 0.260 4.601 4.340 0.001 0.000 0.274 241 L C 0.306 177.374 176.870 0.330 0.000 1.135 241 L CA -0.374 54.517 54.840 0.086 0.000 0.870 241 L CB 0.520 42.518 42.059 -0.103 0.000 1.154 241 L HN 0.126 nan 8.230 nan 0.000 0.462 242 S N 4.499 120.446 115.700 0.410 0.000 2.603 242 S HA 0.177 4.648 4.470 0.001 0.000 0.268 242 S C -1.449 173.368 174.600 0.362 0.000 1.317 242 S CA -1.015 57.357 58.200 0.286 0.000 1.012 242 S CB 1.285 64.588 63.200 0.172 0.000 0.926 242 S HN 0.448 nan 8.310 nan 0.000 0.539 243 P HA -0.140 nan 4.420 nan 0.000 0.218 243 P C 1.187 178.631 177.300 0.240 0.000 1.146 243 P CA 1.244 64.483 63.100 0.232 0.000 0.813 243 P CB 0.008 31.748 31.700 0.065 0.000 0.778 244 A N -1.376 121.491 122.820 0.079 0.000 1.908 244 A HA -0.195 4.126 4.320 0.001 0.000 0.218 244 A C 2.025 179.575 177.584 -0.057 0.000 1.181 244 A CA 1.586 53.585 52.037 -0.062 0.000 0.627 244 A CB -1.916 16.942 19.000 -0.236 0.000 0.818 244 A HN 0.238 nan 8.150 nan 0.000 0.445 245 W N -1.182 120.175 121.300 0.095 0.000 2.338 245 W HA -0.161 4.500 4.660 0.001 0.000 0.304 245 W C 1.997 178.464 176.519 -0.087 0.000 1.212 245 W CA 0.802 58.120 57.345 -0.045 0.000 1.264 245 W CB -0.636 28.712 29.460 -0.187 0.000 1.142 245 W HN 0.364 nan 8.180 nan 0.000 0.512 246 F N 0.554 120.621 119.950 0.195 0.000 2.134 246 F HA -0.223 4.305 4.527 0.001 0.000 0.299 246 F C 2.450 178.293 175.800 0.071 0.000 1.097 246 F CA 1.384 59.441 58.000 0.096 0.000 1.264 246 F CB -0.811 38.222 39.000 0.055 0.000 1.001 246 F HN -0.189 nan 8.300 nan 0.000 0.479 247 E N 0.423 120.767 120.200 0.240 0.000 2.058 247 E HA -0.213 4.138 4.350 0.001 0.000 0.194 247 E C 2.481 179.154 176.600 0.121 0.000 0.997 247 E CA 1.286 57.772 56.400 0.143 0.000 0.801 247 E CB -0.900 28.853 29.700 0.089 0.000 0.746 247 E HN 0.355 nan 8.360 nan 0.000 0.450 248 A N 1.366 124.256 122.820 0.116 0.000 1.940 248 A HA -0.177 4.144 4.320 0.001 0.000 0.219 248 A C 2.257 179.935 177.584 0.157 0.000 1.176 248 A CA 1.441 53.559 52.037 0.134 0.000 0.631 248 A CB -0.617 18.483 19.000 0.166 0.000 0.814 248 A HN 0.248 nan 8.150 nan 0.000 0.446 249 L N -0.067 121.242 121.223 0.144 0.000 2.046 249 L HA -0.153 4.187 4.340 0.001 0.000 0.208 249 L C 2.174 179.102 176.870 0.096 0.000 1.077 249 L CA 2.333 57.239 54.840 0.109 0.000 0.747 249 L CB -0.609 41.461 42.059 0.018 0.000 0.896 249 L HN 0.373 nan 8.230 nan 0.000 0.432 250 K N -1.025 119.437 120.400 0.102 0.000 2.063 250 K HA -0.180 4.141 4.320 0.001 0.000 0.208 250 K C 2.056 178.732 176.600 0.126 0.000 1.048 250 K CA 2.026 58.380 56.287 0.111 0.000 0.928 250 K CB -0.326 32.245 32.500 0.119 0.000 0.713 250 K HN 0.366 nan 8.250 nan 0.000 0.442 251 M N 0.436 120.109 119.600 0.122 0.000 2.108 251 M HA -0.190 4.290 4.480 0.001 0.000 0.261 251 M C 2.244 178.625 176.300 0.134 0.000 1.066 251 M CA 1.411 56.783 55.300 0.120 0.000 1.107 251 M CB -0.377 32.290 32.600 0.111 0.000 1.356 251 M HN -0.040 nan 8.290 nan 0.000 0.406 252 V N 0.853 120.858 119.914 0.152 0.000 2.261 252 V HA -0.262 3.858 4.120 0.001 0.000 0.246 252 V C 2.329 178.513 176.094 0.150 0.000 1.047 252 V CA 1.728 64.124 62.300 0.160 0.000 1.015 252 V CB -0.671 31.282 31.823 0.218 0.000 0.642 252 V HN 0.458 nan 8.190 nan 0.000 0.446 253 L N -0.121 121.193 121.223 0.151 0.000 2.042 253 L HA -0.204 4.137 4.340 0.001 0.000 0.210 253 L C 2.770 179.808 176.870 0.280 0.000 1.076 253 L CA 1.930 56.890 54.840 0.200 0.000 0.749 253 L CB -0.730 41.441 42.059 0.185 0.000 0.893 253 L HN 0.409 nan 8.230 nan 0.000 0.432 254 E N 1.207 121.534 120.200 0.212 0.000 2.051 254 E HA -0.240 4.110 4.350 0.001 0.000 0.192 254 E C 2.059 178.751 176.600 0.154 0.000 0.991 254 E CA 1.569 58.077 56.400 0.180 0.000 0.799 254 E CB 0.021 29.803 29.700 0.137 0.000 0.748 254 E HN 0.436 nan 8.360 nan 0.000 0.449 255 K N 0.484 120.965 120.400 0.136 0.000 2.209 255 K HA -0.088 4.233 4.320 0.001 0.000 0.204 255 K C 2.075 178.746 176.600 0.117 0.000 1.048 255 K CA 1.351 57.703 56.287 0.108 0.000 0.940 255 K CB -0.329 32.226 32.500 0.092 0.000 0.729 255 K HN 0.381 nan 8.250 nan 0.000 0.451 256 I N -3.240 117.434 120.570 0.174 0.000 3.855 256 I HA 0.295 4.466 4.170 0.001 0.000 0.327 256 I C 0.557 176.826 176.117 0.252 0.000 1.359 256 I CA 0.126 61.549 61.300 0.205 0.000 1.142 256 I CB 0.049 38.180 38.000 0.218 0.000 1.041 256 I HN 0.157 nan 8.210 nan 0.000 0.403 257 G N 1.289 110.190 108.800 0.169 0.000 2.141 257 G HA2 -0.296 3.665 3.960 0.001 0.000 0.242 257 G HA3 -0.296 3.665 3.960 0.001 0.000 0.242 257 G C 0.090 174.937 174.900 -0.088 0.000 0.982 257 G CA 0.167 45.279 45.100 0.021 0.000 0.662 257 G HN 0.471 nan 8.290 nan 0.000 0.527 258 F N 1.056 121.072 119.950 0.110 0.000 2.678 258 F HA 0.354 4.882 4.527 0.002 0.000 0.305 258 F C 2.407 178.298 175.800 0.152 0.000 1.090 258 F CA 0.508 58.599 58.000 0.152 0.000 1.272 258 F CB 0.265 39.432 39.000 0.278 0.000 1.060 258 F HN 0.178 nan 8.300 nan 0.000 0.576 259 G N 0.282 109.224 108.800 0.235 0.000 2.545 259 G HA2 -0.421 3.540 3.960 0.001 0.000 0.222 259 G HA3 -0.421 3.540 3.960 0.001 0.000 0.222 259 G C 1.510 176.496 174.900 0.144 0.000 1.126 259 G CA 1.558 46.762 45.100 0.173 0.000 0.754 259 G HN 0.341 nan 8.290 nan 0.000 0.583 260 D N 1.147 121.607 120.400 0.101 0.000 2.220 260 D HA -0.184 4.457 4.640 0.001 0.000 0.198 260 D C 2.040 178.394 176.300 0.090 0.000 1.001 260 D CA 1.334 55.370 54.000 0.060 0.000 0.875 260 D CB -0.081 40.720 40.800 0.001 0.000 0.921 260 D HN 0.616 nan 8.370 nan 0.000 0.454 261 R N -0.722 119.879 120.500 0.169 0.000 2.617 261 R HA 0.182 4.523 4.340 0.001 0.000 0.432 261 R C 1.142 177.675 176.300 0.387 0.000 1.018 261 R CA 0.182 56.413 56.100 0.218 0.000 1.077 261 R CB -0.417 29.982 30.300 0.165 0.000 1.394 261 R HN 0.072 nan 8.270 nan 0.000 0.608 262 V N -2.690 117.410 119.914 0.310 0.000 3.078 262 V HA -0.090 4.031 4.120 0.001 0.000 0.265 262 V C 1.096 177.329 176.094 0.232 0.000 1.122 262 V CA 1.253 63.739 62.300 0.310 0.000 1.141 262 V CB -0.350 31.599 31.823 0.211 0.000 0.735 262 V HN 0.062 nan 8.190 nan 0.000 0.498 263 D N 0.431 120.911 120.400 0.133 0.000 2.149 263 D HA -0.175 4.466 4.640 0.001 0.000 0.198 263 D C 1.903 178.233 176.300 0.051 0.000 0.990 263 D CA 1.747 55.759 54.000 0.020 0.000 0.839 263 D CB -0.513 40.219 40.800 -0.113 0.000 0.948 263 D HN 0.596 nan 8.370 nan 0.000 0.460 264 Y N 0.768 121.177 120.300 0.182 0.000 2.193 264 Y HA -0.190 4.361 4.550 0.001 0.000 0.285 264 Y C 2.323 178.366 175.900 0.238 0.000 1.166 264 Y CA 0.511 58.750 58.100 0.231 0.000 1.181 264 Y CB -0.279 38.398 38.460 0.362 0.000 0.976 264 Y HN 0.027 nan 8.280 nan 0.000 0.520 265 I N -0.028 120.714 120.570 0.285 0.000 2.286 265 I HA -0.269 3.902 4.170 0.001 0.000 0.248 265 I C 1.757 177.946 176.117 0.120 0.000 1.115 265 I CA 1.365 62.746 61.300 0.136 0.000 1.392 265 I CB -1.225 36.814 38.000 0.066 0.000 1.065 265 I HN 0.258 nan 8.210 nan 0.000 0.418 266 D N 0.179 120.646 120.400 0.112 0.000 2.123 266 D HA -0.264 4.377 4.640 0.001 0.000 0.196 266 D C 2.092 178.423 176.300 0.051 0.000 0.992 266 D CA 1.285 55.316 54.000 0.051 0.000 0.833 266 D CB -0.553 40.276 40.800 0.048 0.000 0.954 266 D HN 0.438 nan 8.370 nan 0.000 0.455 267 Y N 1.468 121.768 120.300 0.000 0.000 2.165 267 Y HA -0.198 4.353 4.550 0.002 0.000 0.286 267 Y C 2.140 178.030 175.900 -0.018 0.000 1.155 267 Y CA 1.397 59.503 58.100 0.010 0.000 1.164 267 Y CB -0.426 38.076 38.460 0.070 0.000 0.978 267 Y HN -0.072 nan 8.280 nan 0.000 0.513 268 L N 0.165 121.313 121.223 -0.125 0.000 2.072 268 L HA -0.181 4.160 4.340 0.001 0.000 0.205 268 L C 2.468 179.102 176.870 -0.393 0.000 1.079 268 L CA 1.352 56.066 54.840 -0.210 0.000 0.752 268 L CB -0.851 41.259 42.059 0.085 0.000 0.906 268 L HN 0.302 nan 8.230 nan 0.000 0.436 269 N N 0.589 118.905 118.700 -0.640 0.000 2.006 269 N HA -0.245 4.496 4.740 0.001 0.000 0.196 269 N C 0.880 176.081 175.510 -0.514 0.000 1.070 269 N CA 1.542 53.930 53.050 -1.103 0.000 0.859 269 N CB -0.364 37.570 38.487 -0.923 0.000 1.060 269 N HN 0.288 nan 8.380 nan 0.000 0.424 270 H N 0.241 119.103 119.070 -0.347 0.000 2.982 270 H HA 0.277 4.834 4.556 0.002 0.000 0.261 270 H C -0.338 174.857 175.328 -0.221 0.000 1.603 270 H CA -0.464 55.450 56.048 -0.223 0.000 1.398 270 H CB -0.188 29.490 29.762 -0.140 0.000 1.693 270 H HN 0.270 nan 8.280 nan 0.000 0.535 271 S N 2.916 118.524 115.700 -0.155 0.000 2.616 271 S HA 0.151 4.622 4.470 0.001 0.000 0.277 271 S C -0.382 174.081 174.600 -0.230 0.000 1.234 271 S CA -0.971 57.072 58.200 -0.263 0.000 1.028 271 S CB 1.654 64.647 63.200 -0.345 0.000 0.988 271 S HN 0.740 nan 8.310 nan 0.000 0.522 272 H N 1.961 120.721 119.070 -0.518 0.000 2.539 272 H HA 0.383 4.940 4.556 0.001 0.000 0.332 272 H C -0.883 173.976 175.328 -0.781 0.000 1.031 272 H CA -0.602 55.148 56.048 -0.495 0.000 1.206 272 H CB 0.622 30.220 29.762 -0.273 0.000 1.446 272 H HN 0.769 nan 8.280 nan 0.000 0.496 273 H N 4.773 123.248 119.070 -0.992 0.000 2.771 273 H HA 0.396 4.953 4.556 0.002 0.000 0.367 273 H C -0.538 174.223 175.328 -0.945 0.000 1.172 273 H CA -0.950 54.476 56.048 -1.038 0.000 1.186 273 H CB 2.708 31.629 29.762 -1.403 0.000 1.790 273 H HN 0.496 nan 8.280 nan 0.000 0.556 274 L N 2.090 123.045 121.223 -0.445 0.000 2.409 274 L HA 0.283 4.624 4.340 0.001 0.000 0.272 274 L C -1.518 175.384 176.870 0.054 0.000 0.980 274 L CA -0.790 53.903 54.840 -0.245 0.000 0.826 274 L CB 1.941 43.789 42.059 -0.353 0.000 1.268 274 L HN 0.508 nan 8.230 nan 0.000 0.407 275 Y N 4.195 124.535 120.300 0.065 0.000 2.332 275 Y HA 0.440 4.991 4.550 0.001 0.000 0.325 275 Y C 0.201 176.175 175.900 0.123 0.000 1.054 275 Y CA -0.767 57.420 58.100 0.144 0.000 1.119 275 Y CB 1.084 39.766 38.460 0.370 0.000 1.168 275 Y HN 0.605 nan 8.280 nan 0.000 0.439 276 K N 1.500 121.626 120.400 -0.456 0.000 1.692 276 K HA -0.332 3.989 4.320 0.001 0.000 0.132 276 K C 0.605 177.154 176.600 -0.085 0.000 1.028 276 K CA 2.409 58.506 56.287 -0.316 0.000 0.304 276 K CB -1.104 31.154 32.500 -0.405 0.000 0.686 276 K HN 0.907 nan 8.250 nan 0.000 0.815 277 N N 1.455 120.143 118.700 -0.021 0.000 2.230 277 N HA 0.092 4.833 4.740 0.001 0.000 0.202 277 N C -0.527 175.034 175.510 0.086 0.000 1.119 277 N CA 0.344 53.419 53.050 0.041 0.000 0.851 277 N CB 0.401 38.915 38.487 0.045 0.000 0.990 277 N HN 0.347 nan 8.380 nan 0.000 0.497 278 K N -0.556 119.919 120.400 0.124 0.000 2.221 278 K HA 0.480 4.801 4.320 0.001 0.000 0.243 278 K C -0.859 175.851 176.600 0.184 0.000 0.968 278 K CA -0.640 55.751 56.287 0.172 0.000 0.846 278 K CB 1.917 34.531 32.500 0.190 0.000 1.141 278 K HN -0.072 nan 8.250 nan 0.000 0.434 279 T N 1.547 116.217 114.554 0.193 0.000 2.916 279 T HA 0.585 4.936 4.350 0.001 0.000 0.298 279 T C -1.921 172.883 174.700 0.174 0.000 1.031 279 T CA -0.687 61.470 62.100 0.096 0.000 0.993 279 T CB 0.503 69.410 68.868 0.065 0.000 1.045 279 T HN 0.530 nan 8.240 nan 0.000 0.454 280 Y N 0.485 120.670 120.300 -0.192 0.000 2.544 280 Y HA 0.769 5.320 4.550 0.002 0.000 0.342 280 Y C -0.648 174.882 175.900 -0.616 0.000 1.062 280 Y CA -1.383 56.422 58.100 -0.491 0.000 1.023 280 Y CB 0.566 38.766 38.460 -0.434 0.000 1.308 280 Y HN 0.671 nan 8.280 nan 0.000 0.457 281 C N 3.003 121.645 119.300 -1.096 0.000 2.365 281 C HA 0.864 5.325 4.460 0.001 0.000 0.351 281 C C -0.395 174.300 174.990 -0.492 0.000 1.240 281 C CA -0.307 58.278 59.018 -0.721 0.000 2.062 281 C CB 0.563 27.833 27.740 -0.784 0.000 2.387 281 C HN 0.710 nan 8.230 nan 0.000 0.537 282 V N 5.321 125.055 119.914 -0.301 0.000 2.588 282 V HA 0.438 4.559 4.120 0.001 0.000 0.304 282 V C -0.256 175.590 176.094 -0.413 0.000 1.042 282 V CA -0.701 61.396 62.300 -0.338 0.000 0.877 282 V CB 1.731 33.369 31.823 -0.309 0.000 0.996 282 V HN 0.801 nan 8.190 nan 0.000 0.425 283 K N 3.400 123.536 120.400 -0.439 0.000 2.253 283 K HA 0.631 4.952 4.320 0.001 0.000 0.277 283 K C 0.456 176.892 176.600 -0.274 0.000 1.053 283 K CA 0.764 56.738 56.287 -0.522 0.000 0.892 283 K CB 0.841 33.086 32.500 -0.425 0.000 1.102 283 K HN 1.180 nan 8.250 nan 0.000 0.469 284 G N 2.471 111.099 108.800 -0.287 0.000 2.660 284 G HA2 0.112 4.073 3.960 0.001 0.000 0.215 284 G HA3 0.112 4.073 3.960 0.001 0.000 0.215 284 G C 0.079 174.948 174.900 -0.052 0.000 1.345 284 G CA -0.374 44.648 45.100 -0.129 0.000 0.877 284 G HN 1.316 nan 8.290 nan 0.000 0.549 285 G N -1.957 106.967 108.800 0.206 0.000 3.138 285 G HA2 0.251 4.211 3.960 0.001 0.000 0.685 285 G HA3 0.251 4.211 3.960 0.001 0.000 0.685 285 G C -0.004 175.080 174.900 0.307 0.000 0.995 285 G CA 0.806 46.056 45.100 0.249 0.000 0.849 285 G HN 2.274 nan 8.290 nan 0.000 0.537 286 M N 5.316 125.145 119.600 0.382 0.000 2.146 286 M HA 0.533 5.014 4.480 0.001 0.000 0.352 286 M C -1.909 174.522 176.300 0.218 0.000 1.343 286 M CA -2.247 53.274 55.300 0.369 0.000 1.115 286 M CB 0.687 33.432 32.600 0.242 0.000 1.657 286 M HN 0.321 nan 8.290 nan 0.000 0.471 287 P HA 0.198 nan 4.420 nan 0.000 0.271 287 P C -0.094 177.297 177.300 0.150 0.000 1.216 287 P CA -0.202 63.001 63.100 0.171 0.000 0.776 287 P CB 0.678 32.453 31.700 0.124 0.000 0.881 288 S N 1.759 117.538 115.700 0.130 0.000 2.387 288 S HA -0.021 4.449 4.470 0.001 0.000 0.226 288 S C 1.523 176.186 174.600 0.105 0.000 1.026 288 S CA 0.946 59.209 58.200 0.106 0.000 0.972 288 S CB -1.101 62.146 63.200 0.079 0.000 0.814 288 S HN 0.526 nan 8.310 nan 0.000 0.477 289 G N 0.668 109.541 108.800 0.121 0.000 4.178 289 G HA2 0.475 4.435 3.960 0.001 0.000 0.287 289 G HA3 0.475 4.435 3.960 0.001 0.000 0.287 289 G C -0.212 174.766 174.900 0.129 0.000 1.293 289 G CA -0.456 44.716 45.100 0.119 0.000 1.393 289 G HN 0.484 nan 8.290 nan 0.000 0.623 290 C N -0.763 118.617 119.300 0.133 0.000 2.486 290 C HA 0.673 5.134 4.460 0.001 0.000 0.348 290 C C 1.038 176.110 174.990 0.136 0.000 1.203 290 C CA -0.652 58.467 59.018 0.168 0.000 1.911 290 C CB 1.681 29.556 27.740 0.224 0.000 2.340 290 C HN 0.449 nan 8.230 nan 0.000 0.511 291 S N 0.604 116.405 115.700 0.168 0.000 2.506 291 S HA 0.406 4.877 4.470 0.001 0.000 0.291 291 S C 1.132 175.799 174.600 0.112 0.000 1.230 291 S CA 1.148 59.413 58.200 0.108 0.000 1.107 291 S CB -0.662 62.651 63.200 0.188 0.000 0.942 291 S HN 1.816 nan 8.310 nan 0.000 0.502 292 G N 3.995 112.662 108.800 -0.223 0.000 2.194 292 G HA2 -0.284 3.677 3.960 0.001 0.000 0.236 292 G HA3 -0.284 3.677 3.960 0.001 0.000 0.236 292 G C 0.966 175.748 174.900 -0.196 0.000 0.987 292 G CA 0.490 45.335 45.100 -0.425 0.000 0.635 292 G HN 0.743 nan 8.290 nan 0.000 0.520 293 T N 1.321 115.892 114.554 0.028 0.000 2.594 293 T HA -0.249 4.102 4.350 0.001 0.000 0.266 293 T C 2.590 177.282 174.700 -0.014 0.000 1.070 293 T CA 2.574 64.727 62.100 0.089 0.000 1.166 293 T CB -0.455 68.464 68.868 0.085 0.000 0.862 293 T HN 0.520 nan 8.240 nan 0.000 0.436 294 S N 0.743 116.370 115.700 -0.122 0.000 2.351 294 S HA -0.053 4.418 4.470 0.001 0.000 0.220 294 S C 2.059 176.496 174.600 -0.271 0.000 1.035 294 S CA 1.309 59.396 58.200 -0.188 0.000 1.031 294 S CB -0.542 62.500 63.200 -0.263 0.000 0.928 294 S HN 0.409 nan 8.310 nan 0.000 0.433 295 I N 0.661 120.976 120.570 -0.425 0.000 2.118 295 I HA -0.253 3.918 4.170 0.001 0.000 0.241 295 I C 2.044 177.885 176.117 -0.461 0.000 1.070 295 I CA 1.554 62.513 61.300 -0.569 0.000 1.327 295 I CB -0.507 36.978 38.000 -0.859 0.000 1.034 295 I HN 0.212 nan 8.210 nan 0.000 0.405 296 F N 0.910 120.739 119.950 -0.201 0.000 2.171 296 F HA -0.192 4.336 4.527 0.001 0.000 0.300 296 F C 2.392 178.122 175.800 -0.117 0.000 1.090 296 F CA 1.134 59.037 58.000 -0.161 0.000 1.293 296 F CB -1.223 37.704 39.000 -0.122 0.000 1.013 296 F HN 0.119 nan 8.300 nan 0.000 0.486 297 N N 0.055 118.803 118.700 0.080 0.000 2.120 297 N HA -0.142 4.599 4.740 0.001 0.000 0.188 297 N C 2.013 177.541 175.510 0.031 0.000 1.024 297 N CA 1.557 54.665 53.050 0.097 0.000 0.852 297 N CB -0.621 37.943 38.487 0.128 0.000 1.003 297 N HN 0.149 nan 8.380 nan 0.000 0.424 298 S N 0.906 116.584 115.700 -0.037 0.000 2.368 298 S HA -0.019 4.452 4.470 0.001 0.000 0.224 298 S C 2.046 176.657 174.600 0.018 0.000 1.029 298 S CA 0.911 59.094 58.200 -0.027 0.000 0.988 298 S CB -0.126 63.056 63.200 -0.031 0.000 0.838 298 S HN 0.316 nan 8.310 nan 0.000 0.462 299 M N 0.785 120.422 119.600 0.062 0.000 2.117 299 M HA -0.060 4.421 4.480 0.001 0.000 0.262 299 M C 2.000 178.294 176.300 -0.009 0.000 1.065 299 M CA 1.481 56.869 55.300 0.146 0.000 1.114 299 M CB -0.657 32.090 32.600 0.246 0.000 1.361 299 M HN 0.253 nan 8.290 nan 0.000 0.408 300 I N 0.078 120.636 120.570 -0.021 0.000 2.286 300 I HA -0.289 3.882 4.170 0.001 0.000 0.248 300 I C 2.294 178.294 176.117 -0.195 0.000 1.115 300 I CA 0.902 62.134 61.300 -0.113 0.000 1.392 300 I CB -0.660 37.215 38.000 -0.209 0.000 1.065 300 I HN 0.380 nan 8.210 nan 0.000 0.418 301 N N 1.439 120.080 118.700 -0.099 0.000 2.120 301 N HA -0.191 4.550 4.740 0.001 0.000 0.188 301 N C 1.508 176.939 175.510 -0.131 0.000 1.024 301 N CA 1.379 54.380 53.050 -0.081 0.000 0.852 301 N CB -0.349 38.088 38.487 -0.083 0.000 1.003 301 N HN 0.333 nan 8.380 nan 0.000 0.424 302 N N 0.392 118.957 118.700 -0.225 0.000 2.104 302 N HA -0.131 4.610 4.740 0.001 0.000 0.190 302 N C 1.780 177.108 175.510 -0.303 0.000 1.024 302 N CA 0.967 53.787 53.050 -0.382 0.000 0.853 302 N CB -0.153 37.751 38.487 -0.972 0.000 1.008 302 N HN 0.316 nan 8.380 nan 0.000 0.424 303 L N 0.920 121.996 121.223 -0.246 0.000 2.093 303 L HA -0.079 4.262 4.340 0.001 0.000 0.208 303 L C 2.318 179.190 176.870 0.005 0.000 1.085 303 L CA 0.629 55.458 54.840 -0.018 0.000 0.755 303 L CB -0.354 41.802 42.059 0.161 0.000 0.904 303 L HN 0.110 nan 8.230 nan 0.000 0.435 304 I N -0.142 120.267 120.570 -0.268 0.000 2.099 304 I HA -0.326 3.845 4.170 0.001 0.000 0.239 304 I C 2.492 178.576 176.117 -0.055 0.000 1.066 304 I CA 1.272 62.335 61.300 -0.395 0.000 1.324 304 I CB -0.309 37.396 38.000 -0.491 0.000 1.037 304 I HN 0.154 nan 8.210 nan 0.000 0.401 305 I N 0.805 121.399 120.570 0.040 0.000 2.151 305 I HA -0.304 3.866 4.170 0.001 0.000 0.243 305 I C 2.694 178.866 176.117 0.092 0.000 1.080 305 I CA 1.758 63.144 61.300 0.144 0.000 1.339 305 I CB -1.411 36.702 38.000 0.188 0.000 1.039 305 I HN 0.282 nan 8.210 nan 0.000 0.409 306 R N 0.035 120.572 120.500 0.061 0.000 2.080 306 R HA -0.156 4.185 4.340 0.001 0.000 0.236 306 R C 2.351 178.685 176.300 0.056 0.000 1.137 306 R CA 2.161 58.296 56.100 0.057 0.000 0.943 306 R CB -0.723 29.623 30.300 0.076 0.000 0.846 306 R HN 0.351 nan 8.270 nan 0.000 0.431 307 T N 1.753 116.351 114.554 0.074 0.000 2.607 307 T HA -0.160 4.191 4.350 0.001 0.000 0.267 307 T C 1.884 176.544 174.700 -0.068 0.000 1.049 307 T CA 1.470 63.596 62.100 0.044 0.000 1.162 307 T CB -0.288 68.612 68.868 0.054 0.000 0.863 307 T HN 0.135 nan 8.240 nan 0.000 0.424 308 L N 0.413 121.578 121.223 -0.096 0.000 2.042 308 L HA -0.109 4.232 4.340 0.001 0.000 0.210 308 L C 2.561 179.358 176.870 -0.122 0.000 1.076 308 L CA 1.255 56.020 54.840 -0.126 0.000 0.749 308 L CB -0.732 41.270 42.059 -0.096 0.000 0.893 308 L HN 0.271 nan 8.230 nan 0.000 0.432 309 L N -0.614 120.580 121.223 -0.049 0.000 2.083 309 L HA -0.219 4.121 4.340 0.001 0.000 0.209 309 L C 2.522 179.384 176.870 -0.014 0.000 1.083 309 L CA 1.088 55.914 54.840 -0.024 0.000 0.752 309 L CB -0.419 41.619 42.059 -0.035 0.000 0.899 309 L HN 0.275 nan 8.230 nan 0.000 0.433 310 L N -0.330 120.899 121.223 0.011 0.000 2.056 310 L HA -0.208 4.133 4.340 0.001 0.000 0.207 310 L C 2.666 179.553 176.870 0.028 0.000 1.078 310 L CA 1.081 55.982 54.840 0.102 0.000 0.749 310 L CB -0.433 41.770 42.059 0.240 0.000 0.901 310 L HN 0.166 nan 8.230 nan 0.000 0.433 311 K N 0.104 120.339 120.400 -0.276 0.000 1.985 311 K HA -0.134 4.187 4.320 0.001 0.000 0.210 311 K C 2.014 178.390 176.600 -0.373 0.000 1.047 311 K CA 2.182 58.066 56.287 -0.671 0.000 0.932 311 K CB -0.519 31.620 32.500 -0.601 0.000 0.716 311 K HN 0.088 nan 8.250 nan 0.000 0.439 312 T N -0.574 113.755 114.554 -0.374 0.000 2.777 312 T HA -0.085 4.266 4.350 0.001 0.000 0.266 312 T C -0.026 174.265 174.700 -0.681 0.000 1.040 312 T CA 1.306 63.063 62.100 -0.571 0.000 1.141 312 T CB -0.221 68.196 68.868 -0.752 0.000 0.868 312 T HN 0.158 nan 8.240 nan 0.000 0.444 313 Y N 1.598 121.811 120.300 -0.145 0.000 2.658 313 Y HA 0.417 4.968 4.550 0.001 0.000 0.362 313 Y C 0.224 176.082 175.900 -0.071 0.000 1.017 313 Y CA -1.541 56.483 58.100 -0.127 0.000 1.134 313 Y CB 0.232 38.576 38.460 -0.193 0.000 1.144 313 Y HN -0.067 nan 8.280 nan 0.000 0.655 314 K N 0.829 121.275 120.400 0.077 0.000 2.524 314 K HA 0.228 4.549 4.320 0.001 0.000 0.279 314 K C 1.225 177.874 176.600 0.083 0.000 0.993 314 K CA 1.676 58.019 56.287 0.093 0.000 1.030 314 K CB 0.024 32.577 32.500 0.089 0.000 0.891 314 K HN 0.906 nan 8.250 nan 0.000 0.488 315 G N 3.475 112.322 108.800 0.078 0.000 2.232 315 G HA2 -0.271 3.690 3.960 0.001 0.000 0.226 315 G HA3 -0.271 3.690 3.960 0.001 0.000 0.226 315 G C 0.165 175.112 174.900 0.079 0.000 0.996 315 G CA -0.038 45.103 45.100 0.069 0.000 0.626 315 G HN 0.684 nan 8.290 nan 0.000 0.509 316 I N 2.088 122.697 120.570 0.066 0.000 2.993 316 I HA 0.300 4.471 4.170 0.001 0.000 0.301 316 I C 0.149 176.345 176.117 0.131 0.000 1.229 316 I CA 0.109 61.439 61.300 0.049 0.000 1.435 316 I CB 0.667 38.626 38.000 -0.069 0.000 1.328 316 I HN 0.191 nan 8.210 nan 0.000 0.584 317 D N 6.734 127.306 120.400 0.286 0.000 2.467 317 D HA 0.177 4.818 4.640 0.001 0.000 0.220 317 D C 0.987 177.456 176.300 0.282 0.000 1.103 317 D CA -0.141 54.020 54.000 0.268 0.000 0.886 317 D CB 0.388 41.373 40.800 0.308 0.000 1.025 317 D HN 0.563 nan 8.370 nan 0.000 0.514 318 L N 2.117 123.373 121.223 0.055 0.000 2.129 318 L HA -0.171 4.170 4.340 0.001 0.000 0.212 318 L C 1.272 178.169 176.870 0.046 0.000 1.087 318 L CA 0.913 55.660 54.840 -0.156 0.000 0.757 318 L CB -0.128 41.450 42.059 -0.802 0.000 0.896 318 L HN 0.330 nan 8.230 nan 0.000 0.434 319 D N -1.208 119.321 120.400 0.216 0.000 2.311 319 D HA -0.158 4.483 4.640 0.001 0.000 0.212 319 D C 1.575 177.844 176.300 -0.051 0.000 0.972 319 D CA 1.136 55.255 54.000 0.197 0.000 0.887 319 D CB -0.113 40.741 40.800 0.089 0.000 0.915 319 D HN 0.400 nan 8.370 nan 0.000 0.497 320 H N -0.650 118.509 119.070 0.148 0.000 2.487 320 H HA 0.185 4.742 4.556 0.001 0.000 0.290 320 H C -0.038 175.370 175.328 0.134 0.000 1.081 320 H CA -0.437 55.632 56.048 0.035 0.000 1.116 320 H CB 0.389 30.047 29.762 -0.175 0.000 1.560 320 H HN 0.069 nan 8.280 nan 0.000 0.548 321 L N 2.071 123.483 121.223 0.316 0.000 2.264 321 L HA 0.297 4.638 4.340 0.001 0.000 0.289 321 L C -0.540 176.448 176.870 0.198 0.000 1.044 321 L CA -0.428 54.616 54.840 0.340 0.000 0.807 321 L CB 0.729 42.949 42.059 0.268 0.000 1.192 321 L HN -0.232 nan 8.230 nan 0.000 0.425 322 K N 7.966 128.452 120.400 0.144 0.000 2.449 322 K HA 0.487 4.808 4.320 0.001 0.000 0.257 322 K C -0.858 175.720 176.600 -0.037 0.000 0.989 322 K CA -0.221 56.095 56.287 0.048 0.000 0.916 322 K CB 1.483 33.994 32.500 0.018 0.000 1.136 322 K HN 0.868 nan 8.250 nan 0.000 0.439 323 M N 1.113 120.691 119.600 -0.037 0.000 2.619 323 M HA 0.664 5.145 4.480 0.001 0.000 0.297 323 M C -0.955 175.283 176.300 -0.103 0.000 1.229 323 M CA -0.957 54.261 55.300 -0.136 0.000 0.860 323 M CB 2.040 34.566 32.600 -0.123 0.000 1.741 323 M HN 0.269 nan 8.290 nan 0.000 0.462 324 I N 1.665 122.120 120.570 -0.191 0.000 2.512 324 I HA 0.751 4.922 4.170 0.001 0.000 0.287 324 I C -0.905 175.180 176.117 -0.055 0.000 1.069 324 I CA -0.739 60.512 61.300 -0.083 0.000 1.056 324 I CB 2.091 40.034 38.000 -0.094 0.000 1.229 324 I HN 0.967 nan 8.210 nan 0.000 0.429 325 A N 5.153 128.052 122.820 0.132 0.000 2.355 325 A HA 0.758 5.079 4.320 0.001 0.000 0.324 325 A C -1.796 175.984 177.584 0.326 0.000 1.117 325 A CA -0.434 51.731 52.037 0.213 0.000 0.785 325 A CB 1.369 20.400 19.000 0.050 0.000 1.254 325 A HN 0.640 nan 8.150 nan 0.000 0.453 326 Y N 1.684 122.106 120.300 0.204 0.000 2.594 326 Y HA 0.483 5.034 4.550 0.002 0.000 0.338 326 Y C 0.857 176.725 175.900 -0.053 0.000 1.019 326 Y CA 0.466 58.602 58.100 0.060 0.000 1.306 326 Y CB 0.654 39.076 38.460 -0.063 0.000 1.094 326 Y HN 1.739 nan 8.280 nan 0.000 0.534 327 G N 4.288 113.067 108.800 -0.034 0.000 2.565 327 G HA2 -0.408 3.553 3.960 0.001 0.000 0.295 327 G HA3 -0.408 3.553 3.960 0.001 0.000 0.295 327 G C 0.790 175.497 174.900 -0.320 0.000 1.165 327 G CA 0.738 45.784 45.100 -0.090 0.000 0.977 327 G HN 0.668 nan 8.290 nan 0.000 0.546 328 D N 1.140 121.247 120.400 -0.489 0.000 2.305 328 D HA 0.131 4.772 4.640 0.001 0.000 0.206 328 D C 0.695 176.863 176.300 -0.220 0.000 0.974 328 D CA 0.924 54.402 54.000 -0.869 0.000 0.871 328 D CB -0.285 39.977 40.800 -0.898 0.000 0.947 328 D HN 0.392 nan 8.370 nan 0.000 0.516 329 D N 0.381 120.742 120.400 -0.065 0.000 2.382 329 D HA 0.296 4.937 4.640 0.001 0.000 0.245 329 D C -0.746 175.690 176.300 0.227 0.000 1.120 329 D CA -0.250 53.784 54.000 0.056 0.000 0.890 329 D CB 1.522 42.314 40.800 -0.013 0.000 1.201 329 D HN -0.075 nan 8.370 nan 0.000 0.433 330 V N 4.644 124.658 119.914 0.168 0.000 3.120 330 V HA 0.536 4.656 4.120 0.001 0.000 0.303 330 V C -1.654 174.248 176.094 -0.321 0.000 1.238 330 V CA -0.866 61.427 62.300 -0.012 0.000 1.008 330 V CB 2.064 33.761 31.823 -0.210 0.000 1.064 330 V HN 0.589 nan 8.190 nan 0.000 0.434 331 I N 4.969 125.149 120.570 -0.649 0.000 2.478 331 I HA 0.889 5.060 4.170 0.001 0.000 0.287 331 I C -0.393 175.327 176.117 -0.662 0.000 1.042 331 I CA -0.183 60.675 61.300 -0.738 0.000 1.067 331 I CB 1.519 38.937 38.000 -0.969 0.000 1.233 331 I HN 1.026 nan 8.210 nan 0.000 0.431 332 A N 4.917 127.278 122.820 -0.764 0.000 2.479 332 A HA 0.943 5.264 4.320 0.001 0.000 0.296 332 A C -1.022 176.152 177.584 -0.683 0.000 1.121 332 A CA -0.339 51.230 52.037 -0.780 0.000 0.743 332 A CB 1.986 20.327 19.000 -1.098 0.000 1.323 332 A HN 0.751 nan 8.150 nan 0.000 0.415 333 S N -0.687 114.865 115.700 -0.247 0.000 2.596 333 S HA 0.791 5.262 4.470 0.001 0.000 0.270 333 S C -1.375 173.438 174.600 0.355 0.000 1.155 333 S CA -0.597 57.634 58.200 0.052 0.000 0.827 333 S CB 1.369 64.531 63.200 -0.063 0.000 1.130 333 S HN 1.573 nan 8.310 nan 0.000 0.467 334 Y N 0.635 121.029 120.300 0.157 0.000 2.552 334 Y HA 0.512 5.063 4.550 0.001 0.000 0.337 334 Y C -2.671 173.218 175.900 -0.018 0.000 1.094 334 Y CA -1.947 56.210 58.100 0.095 0.000 1.028 334 Y CB 2.246 40.753 38.460 0.078 0.000 1.321 334 Y HN 0.480 nan 8.280 nan 0.000 0.456 335 P HA -0.106 nan 4.420 nan 0.000 0.219 335 P C -0.494 176.476 177.300 -0.549 0.000 1.146 335 P CA 1.800 64.546 63.100 -0.589 0.000 0.808 335 P CB 0.162 31.360 31.700 -0.837 0.000 0.779 336 H N -1.440 117.608 119.070 -0.037 0.000 2.616 336 H HA 0.253 4.809 4.556 0.001 0.000 0.353 336 H C 0.058 175.435 175.328 0.081 0.000 1.170 336 H CA -0.889 55.192 56.048 0.055 0.000 1.212 336 H CB 1.178 30.982 29.762 0.070 0.000 1.653 336 H HN 0.018 nan 8.280 nan 0.000 0.537 337 E N 1.450 121.721 120.200 0.118 0.000 2.404 337 E HA 0.288 4.639 4.350 0.001 0.000 0.261 337 E C -0.650 175.878 176.600 -0.120 0.000 1.074 337 E CA -0.455 55.955 56.400 0.016 0.000 0.917 337 E CB 0.773 30.479 29.700 0.009 0.000 0.965 337 E HN 0.387 nan 8.360 nan 0.000 0.433 338 V N 0.467 120.271 119.914 -0.183 0.000 3.040 338 V HA 0.426 4.547 4.120 0.001 0.000 0.312 338 V C -0.863 175.147 176.094 -0.140 0.000 1.115 338 V CA -1.114 60.986 62.300 -0.334 0.000 0.998 338 V CB 1.898 33.334 31.823 -0.644 0.000 1.042 338 V HN 0.698 nan 8.190 nan 0.000 0.433 339 D N 2.097 122.477 120.400 -0.035 0.000 2.412 339 D HA 0.626 5.267 4.640 0.001 0.000 0.224 339 D C 0.918 177.120 176.300 -0.163 0.000 1.093 339 D CA 0.211 54.173 54.000 -0.063 0.000 0.850 339 D CB 1.711 42.486 40.800 -0.042 0.000 1.046 339 D HN 0.890 nan 8.370 nan 0.000 0.507 340 A N 3.250 125.964 122.820 -0.177 0.000 1.933 340 A HA -0.166 4.155 4.320 0.001 0.000 0.218 340 A C 2.131 179.235 177.584 -0.800 0.000 1.175 340 A CA 1.724 53.596 52.037 -0.274 0.000 0.628 340 A CB -0.447 18.596 19.000 0.071 0.000 0.814 340 A HN 0.560 nan 8.150 nan 0.000 0.444 341 S N -0.612 114.402 115.700 -1.143 0.000 2.383 341 S HA -0.129 4.342 4.470 0.001 0.000 0.229 341 S C 1.883 176.117 174.600 -0.610 0.000 1.030 341 S CA 1.515 58.941 58.200 -1.291 0.000 1.002 341 S CB -0.480 62.268 63.200 -0.753 0.000 0.829 341 S HN 0.514 nan 8.310 nan 0.000 0.467 342 L N 0.664 121.630 121.223 -0.428 0.000 2.005 342 L HA -0.041 4.300 4.340 0.001 0.000 0.207 342 L C 2.452 179.117 176.870 -0.343 0.000 1.072 342 L CA 1.128 55.770 54.840 -0.331 0.000 0.744 342 L CB -0.546 41.320 42.059 -0.322 0.000 0.895 342 L HN 0.321 nan 8.230 nan 0.000 0.433 343 L N -0.298 120.704 121.223 -0.369 0.000 2.043 343 L HA -0.256 4.085 4.340 0.001 0.000 0.212 343 L C 2.861 179.512 176.870 -0.366 0.000 1.075 343 L CA 1.287 55.917 54.840 -0.350 0.000 0.752 343 L CB -0.807 41.048 42.059 -0.340 0.000 0.891 343 L HN 0.280 nan 8.230 nan 0.000 0.432 344 A N -0.585 121.975 122.820 -0.433 0.000 1.902 344 A HA -0.288 4.033 4.320 0.001 0.000 0.217 344 A C 2.294 179.782 177.584 -0.159 0.000 1.181 344 A CA 1.925 53.779 52.037 -0.304 0.000 0.623 344 A CB -0.572 18.307 19.000 -0.202 0.000 0.818 344 A HN 0.527 nan 8.150 nan 0.000 0.443 345 Q N -0.263 119.433 119.800 -0.173 0.000 2.046 345 Q HA -0.140 4.201 4.340 0.001 0.000 0.200 345 Q C 2.128 178.082 176.000 -0.077 0.000 0.975 345 Q CA 1.852 57.590 55.803 -0.107 0.000 0.836 345 Q CB -0.171 28.492 28.738 -0.125 0.000 0.896 345 Q HN 0.570 nan 8.270 nan 0.000 0.428 346 S N 0.095 115.736 115.700 -0.100 0.000 2.419 346 S HA -0.093 4.378 4.470 0.001 0.000 0.233 346 S C 1.725 176.396 174.600 0.119 0.000 1.016 346 S CA 0.814 59.002 58.200 -0.020 0.000 0.974 346 S CB -0.478 62.682 63.200 -0.066 0.000 0.786 346 S HN 0.676 nan 8.310 nan 0.000 0.492 347 G N 2.108 110.934 108.800 0.043 0.000 2.476 347 G HA2 -0.248 3.713 3.960 0.001 0.000 0.218 347 G HA3 -0.248 3.713 3.960 0.001 0.000 0.218 347 G C 1.350 176.357 174.900 0.178 0.000 1.164 347 G CA 0.809 45.979 45.100 0.116 0.000 0.768 347 G HN 0.452 nan 8.290 nan 0.000 0.560 348 K N 0.320 120.773 120.400 0.088 0.000 2.211 348 K HA -0.094 4.227 4.320 0.001 0.000 0.204 348 K C 2.020 178.652 176.600 0.053 0.000 1.047 348 K CA 1.211 57.541 56.287 0.072 0.000 0.935 348 K CB -0.097 32.420 32.500 0.029 0.000 0.728 348 K HN 0.190 nan 8.250 nan 0.000 0.452 349 D N -0.054 120.361 120.400 0.024 0.000 2.178 349 D HA -0.143 4.498 4.640 0.001 0.000 0.201 349 D C 0.967 177.124 176.300 -0.239 0.000 0.980 349 D CA 1.310 55.223 54.000 -0.145 0.000 0.842 349 D CB -0.038 40.597 40.800 -0.275 0.000 0.948 349 D HN 0.328 nan 8.370 nan 0.000 0.472 350 Y N -0.550 119.812 120.300 0.103 0.000 2.524 350 Y HA 0.347 4.898 4.550 0.001 0.000 0.266 350 Y C 1.499 177.542 175.900 0.238 0.000 1.180 350 Y CA -0.060 58.156 58.100 0.192 0.000 1.244 350 Y CB 0.591 39.288 38.460 0.395 0.000 1.125 350 Y HN -0.055 nan 8.280 nan 0.000 0.524 351 G N 1.174 110.113 108.800 0.231 0.000 2.225 351 G HA2 -0.276 3.685 3.960 0.001 0.000 0.264 351 G HA3 -0.276 3.685 3.960 0.001 0.000 0.264 351 G C -0.517 174.497 174.900 0.190 0.000 1.060 351 G CA -0.140 45.066 45.100 0.177 0.000 0.833 351 G HN 0.307 nan 8.290 nan 0.000 0.498 352 L N 0.437 121.786 121.223 0.210 0.000 2.333 352 L HA 0.525 4.866 4.340 0.001 0.000 0.280 352 L C 0.227 177.208 176.870 0.184 0.000 1.004 352 L CA -0.768 54.202 54.840 0.216 0.000 0.820 352 L CB 2.194 44.417 42.059 0.273 0.000 1.247 352 L HN 0.086 nan 8.230 nan 0.000 0.416 353 T N 4.566 119.241 114.554 0.202 0.000 2.811 353 T HA 0.503 4.854 4.350 0.001 0.000 0.309 353 T C -0.050 174.758 174.700 0.180 0.000 1.005 353 T CA -0.171 62.023 62.100 0.156 0.000 0.955 353 T CB 0.125 69.071 68.868 0.130 0.000 0.970 353 T HN 0.366 nan 8.240 nan 0.000 0.496 354 M N 3.585 123.239 119.600 0.089 0.000 2.167 354 M HA 0.405 4.886 4.480 0.001 0.000 0.333 354 M C 0.468 176.839 176.300 0.120 0.000 1.030 354 M CA -0.700 54.608 55.300 0.013 0.000 0.963 354 M CB 1.709 34.133 32.600 -0.292 0.000 1.589 354 M HN 0.568 nan 8.290 nan 0.000 0.431 355 T N 0.487 115.110 114.554 0.115 0.000 2.942 355 T HA 0.701 5.052 4.350 0.001 0.000 0.289 355 T C -2.893 171.727 174.700 -0.133 0.000 1.044 355 T CA -2.489 59.609 62.100 -0.003 0.000 1.023 355 T CB 1.424 70.265 68.868 -0.045 0.000 1.123 355 T HN 0.225 nan 8.240 nan 0.000 0.512 356 P HA 0.242 nan 4.420 nan 0.000 0.263 356 P C -0.221 176.979 177.300 -0.168 0.000 1.175 356 P CA -0.001 62.705 63.100 -0.656 0.000 0.761 356 P CB -0.065 31.199 31.700 -0.728 0.000 0.794 357 A N 3.786 126.596 122.820 -0.017 0.000 2.566 357 A HA 0.039 4.360 4.320 0.001 0.000 0.245 357 A C 0.385 177.944 177.584 -0.043 0.000 1.056 357 A CA 0.292 52.323 52.037 -0.011 0.000 0.757 357 A CB -0.903 18.098 19.000 0.001 0.000 0.979 357 A HN 0.710 nan 8.150 nan 0.000 0.508 358 D N 1.601 121.974 120.400 -0.044 0.000 2.828 358 D HA -0.173 4.468 4.640 0.001 0.000 0.241 358 D C 0.467 176.748 176.300 -0.031 0.000 1.142 358 D CA 1.575 55.553 54.000 -0.038 0.000 0.755 358 D CB -1.393 39.385 40.800 -0.037 0.000 1.014 358 D HN 0.901 nan 8.370 nan 0.000 0.420 359 K N -2.095 118.279 120.400 -0.043 0.000 3.013 359 K HA -0.262 4.058 4.320 0.001 0.000 0.275 359 K C 0.065 176.629 176.600 -0.060 0.000 1.086 359 K CA 1.162 57.421 56.287 -0.047 0.000 0.814 359 K CB -1.312 31.175 32.500 -0.023 0.000 1.212 359 K HN 0.413 nan 8.250 nan 0.000 0.468 360 S N 0.115 115.769 115.700 -0.077 0.000 2.563 360 S HA 0.160 4.631 4.470 0.001 0.000 0.284 360 S C 1.751 176.281 174.600 -0.117 0.000 1.331 360 S CA 0.041 58.194 58.200 -0.078 0.000 1.047 360 S CB 1.327 64.479 63.200 -0.080 0.000 0.859 360 S HN 0.420 nan 8.310 nan 0.000 0.514 361 A N 2.824 125.596 122.820 -0.079 0.000 1.883 361 A HA 0.026 4.347 4.320 0.001 0.000 0.217 361 A C 1.289 178.800 177.584 -0.121 0.000 1.186 361 A CA 1.654 53.644 52.037 -0.078 0.000 0.624 361 A CB -0.698 18.279 19.000 -0.038 0.000 0.822 361 A HN 0.899 nan 8.150 nan 0.000 0.444 362 T N -4.831 109.651 114.554 -0.119 0.000 2.896 362 T HA 0.595 4.945 4.350 0.001 0.000 0.297 362 T C -0.536 174.091 174.700 -0.122 0.000 1.108 362 T CA -0.838 61.190 62.100 -0.120 0.000 1.004 362 T CB 0.880 69.754 68.868 0.009 0.000 1.159 362 T HN 0.071 nan 8.240 nan 0.000 0.499 363 F N 2.305 122.264 119.950 0.015 0.000 2.571 363 F HA 0.311 4.839 4.527 0.001 0.000 0.390 363 F C 1.251 177.064 175.800 0.022 0.000 1.043 363 F CA 0.204 58.217 58.000 0.022 0.000 1.164 363 F CB 0.152 39.162 39.000 0.018 0.000 1.049 363 F HN 0.422 nan 8.300 nan 0.000 0.552 364 E N 1.242 121.540 120.200 0.164 0.000 2.281 364 E HA 0.310 4.660 4.350 0.001 0.000 0.262 364 E C -0.290 176.370 176.600 0.099 0.000 0.933 364 E CA -0.922 55.541 56.400 0.106 0.000 0.809 364 E CB 1.267 31.003 29.700 0.061 0.000 1.242 364 E HN 0.308 nan 8.360 nan 0.000 0.418 365 T N 0.702 115.296 114.554 0.067 0.000 2.934 365 T HA 0.110 4.461 4.350 0.001 0.000 0.306 365 T C 0.252 174.964 174.700 0.021 0.000 1.042 365 T CA -0.069 62.058 62.100 0.045 0.000 1.145 365 T CB 0.174 69.059 68.868 0.029 0.000 0.982 365 T HN 0.090 nan 8.240 nan 0.000 0.544 366 V N 5.127 125.038 119.914 -0.007 0.000 2.383 366 V HA 0.465 4.586 4.120 0.001 0.000 0.275 366 V C 0.803 176.800 176.094 -0.162 0.000 1.036 366 V CA -0.657 61.596 62.300 -0.079 0.000 0.889 366 V CB 0.837 32.591 31.823 -0.115 0.000 0.985 366 V HN 1.142 nan 8.190 nan 0.000 0.459 367 T N -0.021 114.447 114.554 -0.144 0.000 2.930 367 T HA 0.399 4.749 4.350 0.001 0.000 0.290 367 T C 0.334 174.924 174.700 -0.182 0.000 1.052 367 T CA -0.680 61.325 62.100 -0.159 0.000 1.017 367 T CB 1.276 70.141 68.868 -0.004 0.000 1.137 367 T HN 0.461 nan 8.240 nan 0.000 0.511 368 W N 0.018 121.290 121.300 -0.046 0.000 2.468 368 W HA 0.050 4.711 4.660 0.001 0.000 0.262 368 W C 2.456 179.018 176.519 0.071 0.000 1.241 368 W CA 0.453 57.764 57.345 -0.056 0.000 1.232 368 W CB 0.083 29.504 29.460 -0.066 0.000 1.124 368 W HN 0.761 nan 8.180 nan 0.000 0.597 369 E N 0.906 121.269 120.200 0.271 0.000 2.112 369 E HA -0.147 4.204 4.350 0.001 0.000 0.190 369 E C 1.435 178.195 176.600 0.267 0.000 0.979 369 E CA 1.453 57.994 56.400 0.236 0.000 0.814 369 E CB -0.422 29.371 29.700 0.155 0.000 0.762 369 E HN 0.630 nan 8.360 nan 0.000 0.460 370 N N -0.276 118.553 118.700 0.214 0.000 2.220 370 N HA 0.009 4.750 4.740 0.001 0.000 0.195 370 N C 0.637 176.274 175.510 0.212 0.000 1.123 370 N CA -0.198 53.010 53.050 0.263 0.000 0.874 370 N CB 0.710 39.288 38.487 0.151 0.000 0.995 370 N HN -0.139 nan 8.380 nan 0.000 0.498 371 V N 2.213 122.188 119.914 0.103 0.000 2.775 371 V HA 0.283 4.403 4.120 0.001 0.000 0.299 371 V C 0.051 176.162 176.094 0.028 0.000 1.062 371 V CA 0.316 62.596 62.300 -0.033 0.000 1.063 371 V CB 1.214 32.876 31.823 -0.268 0.000 0.994 371 V HN 0.492 nan 8.190 nan 0.000 0.483 372 T N 3.738 118.255 114.554 -0.062 0.000 2.906 372 T HA 0.719 5.069 4.350 0.001 0.000 0.295 372 T C -1.127 173.706 174.700 0.221 0.000 1.061 372 T CA -0.586 61.475 62.100 -0.065 0.000 1.000 372 T CB 1.758 70.355 68.868 -0.452 0.000 1.103 372 T HN 0.781 nan 8.240 nan 0.000 0.486 373 F N 3.208 123.244 119.950 0.144 0.000 2.604 373 F HA 0.519 5.047 4.527 0.001 0.000 0.316 373 F C -0.161 175.768 175.800 0.217 0.000 1.136 373 F CA -1.887 56.205 58.000 0.153 0.000 0.989 373 F CB 1.045 40.159 39.000 0.190 0.000 1.258 373 F HN 0.812 nan 8.300 nan 0.000 0.451 374 L N 6.297 127.259 121.223 -0.435 0.000 3.717 374 L HA -0.369 3.972 4.340 0.001 0.000 0.414 374 L C 0.783 177.511 176.870 -0.236 0.000 1.228 374 L CA 1.029 55.612 54.840 -0.428 0.000 0.918 374 L CB -1.626 40.155 42.059 -0.463 0.000 1.865 374 L HN 0.925 nan 8.230 nan 0.000 0.922 375 K N -2.800 117.498 120.400 -0.169 0.000 3.500 375 K HA -0.182 4.138 4.320 0.001 0.000 0.313 375 K C 0.422 176.926 176.600 -0.160 0.000 1.338 375 K CA 1.708 57.900 56.287 -0.158 0.000 0.963 375 K CB -0.695 31.717 32.500 -0.147 0.000 1.267 375 K HN 0.575 nan 8.250 nan 0.000 0.448 376 R N 0.000 120.440 120.500 -0.101 0.000 2.589 376 R HA 0.511 4.852 4.340 0.001 0.000 0.293 376 R C -0.126 176.191 176.300 0.029 0.000 0.963 376 R CA -0.739 55.318 56.100 -0.071 0.000 0.905 376 R CB 0.734 30.888 30.300 -0.243 0.000 1.144 376 R HN -0.136 nan 8.270 nan 0.000 0.459 377 F N 0.975 121.005 119.950 0.133 0.000 2.368 377 F HA 0.390 4.918 4.527 0.001 0.000 0.315 377 F C 0.125 176.113 175.800 0.315 0.000 1.145 377 F CA -0.204 57.970 58.000 0.291 0.000 1.095 377 F CB 0.646 39.753 39.000 0.178 0.000 1.286 377 F HN 0.256 nan 8.300 nan 0.000 0.530 378 F N 1.574 121.855 119.950 0.551 0.000 2.449 378 F HA 0.560 5.088 4.527 0.001 0.000 0.342 378 F C -0.274 175.732 175.800 0.343 0.000 1.127 378 F CA -0.871 57.421 58.000 0.486 0.000 0.975 378 F CB 1.134 40.362 39.000 0.381 0.000 1.146 378 F HN 0.053 nan 8.300 nan 0.000 0.444 379 R N 2.421 123.168 120.500 0.411 0.000 2.500 379 R HA 0.569 4.909 4.340 0.001 0.000 0.299 379 R C -0.564 175.915 176.300 0.299 0.000 1.038 379 R CA -1.009 55.261 56.100 0.283 0.000 0.903 379 R CB 1.684 32.085 30.300 0.167 0.000 1.177 379 R HN 0.720 nan 8.270 nan 0.000 0.455 380 A N 2.220 125.174 122.820 0.222 0.000 2.531 380 A HA 0.013 4.334 4.320 0.001 0.000 0.236 380 A C 0.177 177.922 177.584 0.269 0.000 1.062 380 A CA 0.015 52.164 52.037 0.187 0.000 0.760 380 A CB 0.071 19.125 19.000 0.091 0.000 0.995 380 A HN 0.625 nan 8.150 nan 0.000 0.501 381 D N 0.937 121.513 120.400 0.293 0.000 2.414 381 D HA 0.105 4.746 4.640 0.001 0.000 0.242 381 D C 1.161 177.615 176.300 0.255 0.000 1.129 381 D CA 0.335 54.590 54.000 0.427 0.000 0.885 381 D CB 0.565 41.655 40.800 0.483 0.000 1.198 381 D HN 0.600 nan 8.370 nan 0.000 0.437 382 E N 1.926 122.271 120.200 0.241 0.000 2.153 382 E HA -0.189 4.162 4.350 0.001 0.000 0.194 382 E C 1.277 177.932 176.600 0.092 0.000 0.988 382 E CA 1.078 57.555 56.400 0.129 0.000 0.811 382 E CB 0.219 29.971 29.700 0.087 0.000 0.746 382 E HN 0.468 nan 8.360 nan 0.000 0.466 383 K N -0.494 119.994 120.400 0.146 0.000 2.276 383 K HA 0.050 4.371 4.320 0.001 0.000 0.198 383 K C -0.017 176.412 176.600 -0.286 0.000 1.052 383 K CA 0.447 56.716 56.287 -0.030 0.000 0.984 383 K CB 0.496 33.050 32.500 0.091 0.000 0.836 383 K HN 0.047 nan 8.250 nan 0.000 0.490 384 Y N 0.324 120.610 120.300 -0.024 0.000 2.748 384 Y HA 0.247 4.797 4.550 0.001 0.000 0.359 384 Y C -2.228 173.376 175.900 -0.493 0.000 1.030 384 Y CA -2.545 55.346 58.100 -0.348 0.000 1.169 384 Y CB 1.099 39.212 38.460 -0.578 0.000 1.127 384 Y HN -0.023 nan 8.280 nan 0.000 0.644 385 P HA -0.258 nan 4.420 nan 0.000 0.218 385 P C 1.312 178.580 177.300 -0.054 0.000 1.150 385 P CA 1.753 64.840 63.100 -0.023 0.000 0.841 385 P CB -0.154 31.579 31.700 0.056 0.000 0.784 386 F N -2.509 117.437 119.950 -0.007 0.000 2.699 386 F HA 0.103 4.631 4.527 0.002 0.000 0.298 386 F C 0.577 176.289 175.800 -0.146 0.000 1.154 386 F CA -0.068 57.885 58.000 -0.079 0.000 1.457 386 F CB -1.234 37.710 39.000 -0.093 0.000 1.106 386 F HN -0.231 nan 8.300 nan 0.000 0.585 387 L N 2.804 123.720 121.223 -0.512 0.000 2.282 387 L HA 0.397 4.738 4.340 0.001 0.000 0.288 387 L C -0.376 176.468 176.870 -0.043 0.000 1.033 387 L CA -0.833 53.725 54.840 -0.470 0.000 0.807 387 L CB 1.574 43.112 42.059 -0.868 0.000 1.209 387 L HN -0.046 nan 8.230 nan 0.000 0.423 388 I N 2.594 123.239 120.570 0.124 0.000 2.354 388 I HA 0.290 4.461 4.170 0.001 0.000 0.292 388 I C 0.213 176.547 176.117 0.361 0.000 0.989 388 I CA -0.511 60.952 61.300 0.273 0.000 1.188 388 I CB 1.161 39.339 38.000 0.297 0.000 1.342 388 I HN 0.475 nan 8.210 nan 0.000 0.457 389 H N 6.748 125.966 119.070 0.247 0.000 2.646 389 H HA 0.253 4.810 4.556 0.002 0.000 0.325 389 H C -2.169 172.937 175.328 -0.371 0.000 1.075 389 H CA -1.490 54.446 56.048 -0.188 0.000 1.421 389 H CB 1.157 30.747 29.762 -0.286 0.000 1.461 389 H HN 0.209 nan 8.280 nan 0.000 0.525 390 P HA 0.057 nan 4.420 nan 0.000 0.287 390 P C -0.473 176.373 177.300 -0.757 0.000 1.307 390 P CA -0.372 61.993 63.100 -1.224 0.000 0.777 390 P CB 0.735 31.398 31.700 -1.727 0.000 0.883 391 V N 5.294 125.013 119.914 -0.325 0.000 2.294 391 V HA 0.296 4.417 4.120 0.001 0.000 0.272 391 V C 0.353 176.431 176.094 -0.027 0.000 1.027 391 V CA -0.581 61.626 62.300 -0.156 0.000 0.823 391 V CB 0.916 32.723 31.823 -0.028 0.000 1.030 391 V HN 0.500 nan 8.190 nan 0.000 0.457 392 M N 9.178 128.692 119.600 -0.144 0.000 2.162 392 M HA 0.475 4.956 4.480 0.001 0.000 0.356 392 M C -2.521 173.743 176.300 -0.060 0.000 1.303 392 M CA -1.645 53.592 55.300 -0.105 0.000 1.116 392 M CB 0.873 33.360 32.600 -0.189 0.000 1.632 392 M HN 0.254 nan 8.290 nan 0.000 0.469 393 P HA 0.028 nan 4.420 nan 0.000 0.269 393 P C 0.569 177.800 177.300 -0.115 0.000 1.209 393 P CA -0.148 62.955 63.100 0.005 0.000 0.776 393 P CB 0.450 32.213 31.700 0.104 0.000 0.876 394 M N 2.044 121.550 119.600 -0.157 0.000 2.149 394 M HA -0.171 4.309 4.480 0.001 0.000 0.261 394 M C 1.854 177.971 176.300 -0.305 0.000 1.064 394 M CA 1.801 56.896 55.300 -0.342 0.000 1.102 394 M CB -1.218 31.224 32.600 -0.263 0.000 1.369 394 M HN 0.469 nan 8.290 nan 0.000 0.408 395 K N 0.476 120.870 120.400 -0.009 0.000 2.059 395 K HA -0.224 4.097 4.320 0.001 0.000 0.212 395 K C 1.760 178.371 176.600 0.018 0.000 1.050 395 K CA 1.647 57.997 56.287 0.105 0.000 0.927 395 K CB 0.054 32.605 32.500 0.086 0.000 0.714 395 K HN 0.240 nan 8.250 nan 0.000 0.447 396 E N 0.643 120.815 120.200 -0.048 0.000 2.058 396 E HA -0.203 4.148 4.350 0.001 0.000 0.194 396 E C 2.160 178.696 176.600 -0.106 0.000 0.997 396 E CA 1.454 57.817 56.400 -0.061 0.000 0.801 396 E CB -0.282 29.371 29.700 -0.078 0.000 0.746 396 E HN 0.485 nan 8.360 nan 0.000 0.450 397 I N 0.376 120.806 120.570 -0.234 0.000 2.179 397 I HA -0.276 3.895 4.170 0.001 0.000 0.242 397 I C 2.334 178.268 176.117 -0.304 0.000 1.088 397 I CA 1.305 62.406 61.300 -0.330 0.000 1.357 397 I CB -0.545 37.114 38.000 -0.568 0.000 1.051 397 I HN 0.155 nan 8.210 nan 0.000 0.409 398 H N 0.572 119.526 119.070 -0.194 0.000 2.319 398 H HA -0.170 4.387 4.556 0.002 0.000 0.297 398 H C 2.294 177.581 175.328 -0.069 0.000 1.097 398 H CA 1.427 57.368 56.048 -0.178 0.000 1.285 398 H CB -0.000 29.764 29.762 0.003 0.000 1.368 398 H HN 0.260 nan 8.280 nan 0.000 0.495 399 E N 0.346 120.616 120.200 0.117 0.000 2.033 399 E HA -0.226 4.125 4.350 0.001 0.000 0.199 399 E C 2.502 179.227 176.600 0.208 0.000 1.011 399 E CA 1.267 57.759 56.400 0.153 0.000 0.815 399 E CB -0.664 29.100 29.700 0.106 0.000 0.755 399 E HN 0.296 nan 8.360 nan 0.000 0.451 400 S N 0.762 116.542 115.700 0.132 0.000 2.365 400 S HA -0.173 4.298 4.470 0.001 0.000 0.225 400 S C 2.091 176.871 174.600 0.300 0.000 1.039 400 S CA 1.285 59.611 58.200 0.210 0.000 1.033 400 S CB -0.334 62.959 63.200 0.155 0.000 0.887 400 S HN 0.327 nan 8.310 nan 0.000 0.447 401 I N 0.876 121.482 120.570 0.061 0.000 2.567 401 I HA -0.104 4.067 4.170 0.001 0.000 0.257 401 I C 2.158 178.355 176.117 0.134 0.000 1.184 401 I CA 1.001 62.262 61.300 -0.065 0.000 1.451 401 I CB -0.124 37.639 38.000 -0.395 0.000 1.089 401 I HN 0.283 nan 8.210 nan 0.000 0.441 402 R N -0.359 120.229 120.500 0.146 0.000 2.285 402 R HA -0.074 4.266 4.340 0.001 0.000 0.213 402 R C -0.447 175.747 176.300 -0.176 0.000 1.068 402 R CA 0.721 56.813 56.100 -0.015 0.000 1.004 402 R CB -0.074 30.083 30.300 -0.238 0.000 0.873 402 R HN 0.292 nan 8.270 nan 0.000 0.467 403 W N -1.348 120.095 121.300 0.239 0.000 2.929 403 W HA 0.466 5.127 4.660 0.001 0.000 0.345 403 W C -0.183 176.454 176.519 0.196 0.000 1.151 403 W CA -0.711 56.752 57.345 0.198 0.000 1.111 403 W CB 1.376 30.914 29.460 0.130 0.000 1.449 403 W HN -0.400 nan 8.180 nan 0.000 0.572 404 T N -0.082 114.702 114.554 0.384 0.000 3.097 404 T HA 0.265 4.616 4.350 0.001 0.000 0.332 404 T C -0.028 174.760 174.700 0.146 0.000 1.269 404 T CA -0.605 61.630 62.100 0.226 0.000 1.076 404 T CB 1.291 70.285 68.868 0.210 0.000 1.209 404 T HN 0.526 nan 8.240 nan 0.000 0.474 405 K N 1.649 122.089 120.400 0.067 0.000 2.168 405 K HA 0.191 4.512 4.320 0.001 0.000 0.201 405 K C -0.223 176.400 176.600 0.039 0.000 1.049 405 K CA 0.186 56.495 56.287 0.037 0.000 0.974 405 K CB 0.288 32.783 32.500 -0.008 0.000 0.792 405 K HN 0.495 nan 8.250 nan 0.000 0.463 406 D N -0.197 120.229 120.400 0.042 0.000 2.542 406 D HA 0.182 4.823 4.640 0.001 0.000 0.252 406 D C -2.349 173.989 176.300 0.063 0.000 1.222 406 D CA -2.413 51.612 54.000 0.043 0.000 0.895 406 D CB 1.869 42.685 40.800 0.028 0.000 1.207 406 D HN -0.263 nan 8.370 nan 0.000 0.558 407 P HA -0.086 nan 4.420 nan 0.000 0.220 407 P C 0.944 178.280 177.300 0.061 0.000 1.144 407 P CA 0.954 64.091 63.100 0.063 0.000 0.800 407 P CB 0.303 32.027 31.700 0.040 0.000 0.772 408 R N -1.202 119.329 120.500 0.051 0.000 2.161 408 R HA 0.064 4.405 4.340 0.001 0.000 0.213 408 R C 1.226 177.561 176.300 0.057 0.000 1.055 408 R CA 0.730 56.858 56.100 0.046 0.000 0.996 408 R CB -0.440 29.880 30.300 0.033 0.000 0.901 408 R HN 0.193 nan 8.270 nan 0.000 0.456 409 N N -0.034 118.706 118.700 0.067 0.000 2.398 409 N HA -0.016 4.725 4.740 0.001 0.000 0.188 409 N C 0.949 176.537 175.510 0.130 0.000 1.122 409 N CA 0.583 53.681 53.050 0.081 0.000 0.866 409 N CB 0.176 38.700 38.487 0.061 0.000 0.970 409 N HN 0.079 nan 8.380 nan 0.000 0.462 410 T N 1.017 115.655 114.554 0.141 0.000 2.652 410 T HA -0.240 4.111 4.350 0.001 0.000 0.267 410 T C 1.897 176.686 174.700 0.147 0.000 1.039 410 T CA 1.589 63.801 62.100 0.187 0.000 1.153 410 T CB -0.179 68.799 68.868 0.184 0.000 0.863 410 T HN 0.242 nan 8.240 nan 0.000 0.428 411 Q N 1.506 121.370 119.800 0.107 0.000 2.118 411 Q HA -0.204 4.136 4.340 0.001 0.000 0.211 411 Q C 1.712 177.754 176.000 0.070 0.000 0.998 411 Q CA 2.175 58.025 55.803 0.078 0.000 0.872 411 Q CB -0.614 28.159 28.738 0.059 0.000 0.925 411 Q HN 0.449 nan 8.270 nan 0.000 0.414 412 D N -1.358 119.092 120.400 0.085 0.000 2.162 412 D HA -0.121 4.520 4.640 0.001 0.000 0.203 412 D C 1.759 178.132 176.300 0.121 0.000 0.967 412 D CA 1.288 55.338 54.000 0.083 0.000 0.840 412 D CB -0.498 40.345 40.800 0.072 0.000 0.972 412 D HN 0.589 nan 8.370 nan 0.000 0.482 413 H N 0.599 119.692 119.070 0.038 0.000 2.387 413 H HA -0.068 4.488 4.556 0.001 0.000 0.299 413 H C 1.819 177.162 175.328 0.024 0.000 1.090 413 H CA 0.939 57.007 56.048 0.034 0.000 1.332 413 H CB 0.362 30.155 29.762 0.051 0.000 1.386 413 H HN -0.086 nan 8.280 nan 0.000 0.516 414 V N 1.027 120.872 119.914 -0.115 0.000 2.323 414 V HA -0.199 3.922 4.120 0.001 0.000 0.244 414 V C 2.717 178.780 176.094 -0.051 0.000 1.041 414 V CA 1.867 64.051 62.300 -0.194 0.000 1.025 414 V CB -0.616 31.092 31.823 -0.191 0.000 0.656 414 V HN 0.280 nan 8.190 nan 0.000 0.451 415 R N 1.062 121.565 120.500 0.005 0.000 2.096 415 R HA -0.178 4.163 4.340 0.001 0.000 0.240 415 R C 2.423 178.755 176.300 0.053 0.000 1.139 415 R CA 2.350 58.473 56.100 0.039 0.000 0.952 415 R CB -0.936 29.387 30.300 0.038 0.000 0.854 415 R HN 0.506 nan 8.270 nan 0.000 0.436 416 S N 0.381 116.110 115.700 0.047 0.000 2.359 416 S HA -0.115 4.356 4.470 0.001 0.000 0.224 416 S C 1.866 176.489 174.600 0.038 0.000 1.035 416 S CA 1.520 59.750 58.200 0.049 0.000 1.018 416 S CB -0.359 62.883 63.200 0.070 0.000 0.876 416 S HN 0.298 nan 8.310 nan 0.000 0.448 417 L N 0.776 122.007 121.223 0.013 0.000 2.127 417 L HA -0.189 4.152 4.340 0.001 0.000 0.211 417 L C 2.540 179.440 176.870 0.049 0.000 1.089 417 L CA 0.795 55.623 54.840 -0.020 0.000 0.757 417 L CB -0.793 41.218 42.059 -0.080 0.000 0.899 417 L HN 0.441 nan 8.230 nan 0.000 0.434 418 C N -0.190 119.223 119.300 0.188 0.000 2.446 418 C HA -0.127 4.334 4.460 0.001 0.000 0.277 418 C C 2.673 177.828 174.990 0.274 0.000 1.275 418 C CA 0.312 59.549 59.018 0.366 0.000 1.727 418 C CB -0.792 27.191 27.740 0.405 0.000 2.010 418 C HN 0.449 nan 8.230 nan 0.000 0.486 419 L N 0.413 121.740 121.223 0.174 0.000 2.261 419 L HA -0.177 4.164 4.340 0.001 0.000 0.216 419 L C 2.350 179.329 176.870 0.182 0.000 1.114 419 L CA 1.194 56.154 54.840 0.201 0.000 0.777 419 L CB -0.599 41.526 42.059 0.110 0.000 0.910 419 L HN 0.447 nan 8.230 nan 0.000 0.440 420 L N -1.058 120.197 121.223 0.052 0.000 2.130 420 L HA 0.013 4.354 4.340 0.001 0.000 0.200 420 L C 2.933 179.719 176.870 -0.140 0.000 1.075 420 L CA 0.801 55.602 54.840 -0.065 0.000 0.768 420 L CB -0.861 41.121 42.059 -0.128 0.000 0.933 420 L HN 0.152 nan 8.230 nan 0.000 0.451 421 A N 1.582 124.322 122.820 -0.132 0.000 1.869 421 A HA -0.265 4.056 4.320 0.001 0.000 0.218 421 A C 2.121 179.661 177.584 -0.074 0.000 1.203 421 A CA 2.212 54.142 52.037 -0.179 0.000 0.638 421 A CB -1.425 17.372 19.000 -0.338 0.000 0.831 421 A HN 0.742 nan 8.150 nan 0.000 0.450 422 W N 0.193 121.377 121.300 -0.193 0.000 2.321 422 W HA -0.250 4.411 4.660 0.002 0.000 0.285 422 W C 1.275 177.593 176.519 -0.336 0.000 1.213 422 W CA 1.598 58.681 57.345 -0.436 0.000 1.205 422 W CB -1.296 27.553 29.460 -1.019 0.000 1.134 422 W HN 0.576 nan 8.180 nan 0.000 0.549 423 H N 1.028 119.419 119.070 -1.132 0.000 2.545 423 H HA -0.041 4.516 4.556 0.001 0.000 0.282 423 H C 1.400 176.348 175.328 -0.632 0.000 1.020 423 H CA 1.198 56.553 56.048 -1.155 0.000 1.243 423 H CB -0.413 28.727 29.762 -1.037 0.000 1.377 423 H HN 0.320 nan 8.280 nan 0.000 0.581 424 N N 0.465 118.995 118.700 -0.284 0.000 2.461 424 N HA 0.037 4.778 4.740 0.001 0.000 0.188 424 N C 0.729 176.158 175.510 -0.134 0.000 1.134 424 N CA 0.778 53.718 53.050 -0.183 0.000 0.878 424 N CB 0.911 39.317 38.487 -0.136 0.000 0.972 424 N HN 0.404 nan 8.380 nan 0.000 0.456 425 G N 0.891 109.629 108.800 -0.103 0.000 2.576 425 G HA2 -0.163 3.797 3.960 0.001 0.000 0.686 425 G HA3 -0.163 3.797 3.960 0.001 0.000 0.686 425 G C 0.254 175.091 174.900 -0.105 0.000 1.242 425 G CA -0.263 44.783 45.100 -0.090 0.000 0.819 425 G HN 0.123 nan 8.290 nan 0.000 0.655 426 E N -0.189 119.697 120.200 -0.523 0.000 2.051 426 E HA -0.179 4.172 4.350 0.001 0.000 0.192 426 E C 1.991 178.430 176.600 -0.268 0.000 0.991 426 E CA 1.656 57.526 56.400 -0.883 0.000 0.799 426 E CB -0.056 28.927 29.700 -1.195 0.000 0.748 426 E HN 0.652 nan 8.360 nan 0.000 0.449 427 E N 0.046 120.133 120.200 -0.188 0.000 2.058 427 E HA -0.249 4.102 4.350 0.001 0.000 0.194 427 E C 2.036 178.631 176.600 -0.008 0.000 0.997 427 E CA 1.316 57.667 56.400 -0.082 0.000 0.801 427 E CB 0.063 29.719 29.700 -0.072 0.000 0.746 427 E HN 0.238 nan 8.360 nan 0.000 0.450 428 E N -0.030 120.175 120.200 0.008 0.000 2.038 428 E HA -0.217 4.134 4.350 0.001 0.000 0.195 428 E C 1.933 178.632 176.600 0.164 0.000 1.000 428 E CA 1.122 57.562 56.400 0.067 0.000 0.803 428 E CB -0.634 29.082 29.700 0.026 0.000 0.750 428 E HN 0.419 nan 8.360 nan 0.000 0.448 429 Y N 2.632 122.980 120.300 0.080 0.000 2.128 429 Y HA -0.234 4.317 4.550 0.001 0.000 0.284 429 Y C 1.959 177.994 175.900 0.225 0.000 1.154 429 Y CA 1.836 60.062 58.100 0.209 0.000 1.149 429 Y CB -0.337 38.315 38.460 0.319 0.000 0.976 429 Y HN 0.036 nan 8.280 nan 0.000 0.505 430 N N 0.477 119.251 118.700 0.124 0.000 2.149 430 N HA -0.175 4.565 4.740 0.001 0.000 0.188 430 N C 1.682 177.190 175.510 -0.004 0.000 1.019 430 N CA 1.708 54.767 53.050 0.015 0.000 0.857 430 N CB -0.335 38.169 38.487 0.028 0.000 0.997 430 N HN 0.456 nan 8.380 nan 0.000 0.426 431 K N -0.156 120.276 120.400 0.054 0.000 2.057 431 K HA -0.115 4.206 4.320 0.001 0.000 0.207 431 K C 1.873 178.548 176.600 0.125 0.000 1.049 431 K CA 0.819 57.148 56.287 0.070 0.000 0.931 431 K CB -0.287 32.269 32.500 0.093 0.000 0.714 431 K HN 0.105 nan 8.250 nan 0.000 0.440 432 F N 2.035 121.990 119.950 0.009 0.000 2.075 432 F HA -0.150 4.377 4.527 0.001 0.000 0.297 432 F C 1.794 177.582 175.800 -0.020 0.000 1.113 432 F CA 1.305 59.348 58.000 0.071 0.000 1.218 432 F CB -0.370 38.615 39.000 -0.024 0.000 0.984 432 F HN -0.118 nan 8.300 nan 0.000 0.472 433 L N -0.147 120.886 121.223 -0.316 0.000 2.083 433 L HA -0.215 4.126 4.340 0.001 0.000 0.209 433 L C 2.787 179.531 176.870 -0.212 0.000 1.083 433 L CA 1.122 55.734 54.840 -0.379 0.000 0.752 433 L CB -1.283 40.575 42.059 -0.335 0.000 0.899 433 L HN 0.282 nan 8.230 nan 0.000 0.433 434 A N 0.492 123.235 122.820 -0.129 0.000 1.865 434 A HA -0.262 4.059 4.320 0.001 0.000 0.217 434 A C 2.323 179.844 177.584 -0.104 0.000 1.191 434 A CA 2.008 53.992 52.037 -0.088 0.000 0.623 434 A CB -0.446 18.518 19.000 -0.059 0.000 0.826 434 A HN 0.327 nan 8.150 nan 0.000 0.444 435 K N -0.526 119.795 120.400 -0.133 0.000 2.063 435 K HA -0.103 4.218 4.320 0.001 0.000 0.208 435 K C 1.863 178.387 176.600 -0.126 0.000 1.048 435 K CA 1.629 57.778 56.287 -0.231 0.000 0.928 435 K CB -0.435 31.762 32.500 -0.506 0.000 0.713 435 K HN 0.567 nan 8.250 nan 0.000 0.442 436 I N 0.814 121.332 120.570 -0.088 0.000 2.179 436 I HA -0.275 3.896 4.170 0.001 0.000 0.242 436 I C 1.957 178.153 176.117 0.132 0.000 1.088 436 I CA 1.349 62.670 61.300 0.035 0.000 1.357 436 I CB -0.232 37.590 38.000 -0.296 0.000 1.051 436 I HN 0.101 nan 8.210 nan 0.000 0.409 437 R N 0.746 121.244 120.500 -0.002 0.000 2.346 437 R HA -0.037 4.304 4.340 0.001 0.000 0.199 437 R C 2.034 178.332 176.300 -0.004 0.000 1.015 437 R CA 0.896 56.999 56.100 0.005 0.000 1.058 437 R CB -0.239 30.044 30.300 -0.028 0.000 0.921 437 R HN 0.452 nan 8.270 nan 0.000 0.475 438 S N -0.711 114.984 115.700 -0.008 0.000 2.562 438 S HA 0.020 4.491 4.470 0.001 0.000 0.221 438 S C 0.831 175.413 174.600 -0.029 0.000 0.975 438 S CA -0.253 57.928 58.200 -0.032 0.000 0.918 438 S CB 0.055 63.217 63.200 -0.062 0.000 0.772 438 S HN 0.094 nan 8.310 nan 0.000 0.531 439 V N -2.861 117.044 119.914 -0.014 0.000 2.604 439 V HA 0.572 4.693 4.120 0.001 0.000 0.305 439 V C -2.204 173.853 176.094 -0.063 0.000 1.043 439 V CA -2.429 59.833 62.300 -0.064 0.000 0.888 439 V CB 1.454 33.190 31.823 -0.145 0.000 0.995 439 V HN -0.161 nan 8.190 nan 0.000 0.429 440 P HA -0.225 nan 4.420 nan 0.000 0.222 440 P C 1.750 179.020 177.300 -0.049 0.000 1.159 440 P CA 1.976 65.044 63.100 -0.053 0.000 0.920 440 P CB 0.102 31.767 31.700 -0.059 0.000 0.793 441 I N -1.046 119.466 120.570 -0.095 0.000 2.076 441 I HA -0.172 3.998 4.170 0.001 0.000 0.237 441 I C 2.514 178.651 176.117 0.033 0.000 1.059 441 I CA 2.388 63.646 61.300 -0.071 0.000 1.317 441 I CB -2.212 35.680 38.000 -0.180 0.000 1.037 441 I HN 0.045 nan 8.210 nan 0.000 0.398 442 G N 0.578 109.438 108.800 0.100 0.000 2.485 442 G HA2 -0.259 3.701 3.960 0.001 0.000 0.221 442 G HA3 -0.259 3.701 3.960 0.001 0.000 0.221 442 G C 1.866 176.833 174.900 0.112 0.000 1.115 442 G CA 0.476 45.749 45.100 0.289 0.000 0.751 442 G HN 0.384 nan 8.290 nan 0.000 0.567 443 R N 0.162 120.695 120.500 0.054 0.000 2.119 443 R HA 0.142 4.482 4.340 0.001 0.000 0.222 443 R C 2.764 179.076 176.300 0.020 0.000 1.088 443 R CA 0.894 57.008 56.100 0.022 0.000 0.984 443 R CB -0.174 30.129 30.300 0.004 0.000 0.884 443 R HN 0.327 nan 8.270 nan 0.000 0.447 444 A N 1.049 123.883 122.820 0.023 0.000 2.238 444 A HA 0.134 4.455 4.320 0.001 0.000 0.208 444 A C 1.006 178.607 177.584 0.029 0.000 1.177 444 A CA 0.122 52.171 52.037 0.019 0.000 0.804 444 A CB -0.095 18.913 19.000 0.012 0.000 0.823 444 A HN 0.058 nan 8.150 nan 0.000 0.482 445 L N -0.342 120.907 121.223 0.044 0.000 2.475 445 L HA 0.217 4.558 4.340 0.001 0.000 0.253 445 L C -0.104 176.782 176.870 0.027 0.000 1.198 445 L CA -0.393 54.474 54.840 0.044 0.000 0.814 445 L CB 0.345 42.441 42.059 0.062 0.000 1.134 445 L HN 0.150 nan 8.230 nan 0.000 0.478 446 D N 1.863 122.278 120.400 0.025 0.000 2.454 446 D HA 0.484 5.125 4.640 0.001 0.000 0.247 446 D C -1.027 175.285 176.300 0.020 0.000 1.129 446 D CA -0.224 53.787 54.000 0.019 0.000 0.877 446 D CB 0.736 41.547 40.800 0.017 0.000 1.082 446 D HN 0.242 nan 8.370 nan 0.000 0.537 447 L N 3.665 124.900 121.223 0.020 0.000 2.323 447 L HA 0.627 4.968 4.340 0.001 0.000 0.265 447 L C -2.086 174.814 176.870 0.051 0.000 1.012 447 L CA -1.804 53.057 54.840 0.036 0.000 0.820 447 L CB 2.149 44.220 42.059 0.021 0.000 1.334 447 L HN 0.241 nan 8.230 nan 0.000 0.427 448 P HA 0.335 nan 4.420 nan 0.000 0.290 448 P C -1.180 176.201 177.300 0.134 0.000 1.275 448 P CA -0.667 62.462 63.100 0.047 0.000 0.841 448 P CB 1.233 32.910 31.700 -0.038 0.000 1.042 449 E N 0.840 121.096 120.200 0.093 0.000 2.374 449 E HA 0.006 4.357 4.350 0.001 0.000 0.260 449 E C 0.866 177.540 176.600 0.122 0.000 1.101 449 E CA -0.324 56.184 56.400 0.180 0.000 0.907 449 E CB 0.409 30.182 29.700 0.122 0.000 1.014 449 E HN 0.504 nan 8.360 nan 0.000 0.427 450 Y N 2.624 123.003 120.300 0.131 0.000 2.040 450 Y HA -0.367 4.184 4.550 0.002 0.000 0.275 450 Y C 2.447 178.269 175.900 -0.130 0.000 1.171 450 Y CA 2.968 61.022 58.100 -0.076 0.000 1.123 450 Y CB -0.353 38.164 38.460 0.095 0.000 0.963 450 Y HN 0.596 nan 8.280 nan 0.000 0.493 451 S N -1.385 114.404 115.700 0.148 0.000 2.387 451 S HA -0.259 4.211 4.470 0.001 0.000 0.230 451 S C 1.882 176.439 174.600 -0.071 0.000 1.035 451 S CA 1.864 60.120 58.200 0.094 0.000 1.014 451 S CB -1.343 61.952 63.200 0.158 0.000 0.836 451 S HN 0.587 nan 8.310 nan 0.000 0.466 452 T N 3.158 117.641 114.554 -0.118 0.000 2.674 452 T HA 0.060 4.411 4.350 0.001 0.000 0.265 452 T C 1.777 176.278 174.700 -0.331 0.000 1.039 452 T CA 1.585 63.587 62.100 -0.164 0.000 1.150 452 T CB -0.604 68.192 68.868 -0.121 0.000 0.864 452 T HN 0.319 nan 8.240 nan 0.000 0.427 453 L N -0.452 120.422 121.223 -0.581 0.000 2.046 453 L HA -0.111 4.230 4.340 0.001 0.000 0.208 453 L C 2.432 178.613 176.870 -1.149 0.000 1.077 453 L CA 1.529 55.765 54.840 -1.007 0.000 0.747 453 L CB -0.557 40.498 42.059 -1.673 0.000 0.896 453 L HN 0.271 nan 8.230 nan 0.000 0.432 454 Y N 1.090 120.694 120.300 -1.159 0.000 2.200 454 Y HA -0.260 4.290 4.550 0.002 0.000 0.290 454 Y C 2.251 178.065 175.900 -0.143 0.000 1.137 454 Y CA 1.702 59.414 58.100 -0.646 0.000 1.163 454 Y CB -0.183 38.020 38.460 -0.427 0.000 0.988 454 Y HN 0.212 nan 8.280 nan 0.000 0.518 455 D N -0.172 120.109 120.400 -0.198 0.000 2.097 455 D HA -0.167 4.474 4.640 0.001 0.000 0.197 455 D C 2.262 178.464 176.300 -0.163 0.000 0.984 455 D CA 1.406 55.301 54.000 -0.176 0.000 0.826 455 D CB -0.460 40.294 40.800 -0.077 0.000 0.973 455 D HN 0.294 nan 8.370 nan 0.000 0.460 456 R N -0.616 119.785 120.500 -0.165 0.000 2.139 456 R HA -0.187 4.154 4.340 0.001 0.000 0.243 456 R C 2.140 178.406 176.300 -0.058 0.000 1.145 456 R CA 1.270 57.296 56.100 -0.122 0.000 0.976 456 R CB -0.338 29.875 30.300 -0.146 0.000 0.866 456 R HN 0.249 nan 8.270 nan 0.000 0.449 457 W N 0.966 122.119 121.300 -0.245 0.000 2.379 457 W HA -0.118 4.543 4.660 0.002 0.000 0.307 457 W C 1.562 178.064 176.519 -0.028 0.000 1.200 457 W CA 1.303 58.590 57.345 -0.097 0.000 1.297 457 W CB -0.413 29.113 29.460 0.109 0.000 1.140 457 W HN 0.018 nan 8.180 nan 0.000 0.507 458 L N 0.227 121.377 121.223 -0.122 0.000 2.046 458 L HA -0.229 4.111 4.340 0.001 0.000 0.208 458 L C 2.111 178.903 176.870 -0.130 0.000 1.077 458 L CA 1.730 56.413 54.840 -0.262 0.000 0.747 458 L CB -1.149 40.654 42.059 -0.426 0.000 0.896 458 L HN -0.112 nan 8.230 nan 0.000 0.432 459 D N -0.057 120.265 120.400 -0.129 0.000 2.218 459 D HA -0.146 4.495 4.640 0.001 0.000 0.204 459 D C 2.336 178.575 176.300 -0.103 0.000 0.976 459 D CA 1.567 55.509 54.000 -0.096 0.000 0.853 459 D CB -0.116 40.631 40.800 -0.087 0.000 0.939 459 D HN 0.363 nan 8.370 nan 0.000 0.481 460 S N -0.712 114.881 115.700 -0.179 0.000 2.547 460 S HA -0.057 4.414 4.470 0.001 0.000 0.235 460 S C 0.789 175.160 174.600 -0.381 0.000 0.980 460 S CA -0.042 57.986 58.200 -0.287 0.000 0.941 460 S CB -0.424 62.557 63.200 -0.365 0.000 0.763 460 S HN 0.009 nan 8.310 nan 0.000 0.532 461 F N 0.000 119.832 119.950 -0.197 0.000 2.286 461 F HA 0.000 4.528 4.527 0.001 0.000 0.279 461 F CA 0.000 57.906 58.000 -0.156 0.000 1.383 461 F CB 0.000 38.873 39.000 -0.212 0.000 1.145 461 F HN 0.000 nan 8.300 nan 0.000 0.574