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 3nt6_1_A DATA FIRST_RESID 2 DATA SEQUENCE KKILIIGGVA GGASAAARAR RLSETAEIIX FERGEYVSFA NSGLPYHISG DATA SEQUENCE EIAQRSALVL QTPESFKARF NVEVRVKHEV VAIDRAAKLV TVRRLLDGSE DATA SEQUENCE YQESYDTLLL SPGAAPIVPP IPGVDNPLTH SLRNIPDXDR ILQTIQXNNV DATA SEQUENCE EHATVVGGGF IGLEXXESLH HLGIKTTLLE LADQVXTPVD REXAGFAHQA DATA SEQUENCE IRDQGVDLRL GTALSEVSYQ VQTHVASDAA GEDTAHQHIK GHLSLTLSNG DATA SEQUENCE ELLETDLLIX AIGVRPETQL ARDAGLAIGE LGGIKVNAXX QTSDPAIYAV DATA SEQUENCE GDAVEEQDFV TGQACLVPLA GPANRQGRXA ADNXFGREER YQGTQGTAIC DATA SEQUENCE KVFDLAVGAT GKNEKQLKQA GIAFEKVYVH TASHASYYPG AEVVSFKLLF DATA SEQUENCE DPVKGTIFGA QAVGKDGIDK RIDVXAVAQR AGXTVEQLQH LELSYAPPYG DATA SEQUENCE SAKDVINQAA FVASNIIKGD ATPIHFDQID NLSEDQLLLD VRNPGELQNG DATA SEQUENCE GLEGAVNIPV DELRDRXHEL PKDKEIIIFS QVGLRGNVAY RQLVNNGYRA DATA SEQUENCE RNLIGGYRTY KFAS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 K HA 0.000 nan 4.320 nan 0.000 0.191 2 K C 0.000 176.619 176.600 0.032 0.000 0.988 2 K CA 0.000 56.295 56.287 0.013 0.000 0.838 2 K CB 0.000 32.457 32.500 -0.071 0.000 1.064 3 K N 2.895 123.317 120.400 0.036 0.000 2.265 3 K HA 0.467 4.789 4.320 0.004 0.000 0.267 3 K C -1.104 175.537 176.600 0.069 0.000 0.994 3 K CA -0.557 55.766 56.287 0.059 0.000 0.860 3 K CB 0.832 33.377 32.500 0.076 0.000 1.099 3 K HN 0.540 nan 8.250 nan 0.000 0.448 4 I N 6.015 126.614 120.570 0.048 0.000 2.354 4 I HA 0.278 4.451 4.170 0.004 0.000 0.292 4 I C -0.589 175.554 176.117 0.044 0.000 0.989 4 I CA -0.835 60.481 61.300 0.027 0.000 1.188 4 I CB 1.316 39.307 38.000 -0.015 0.000 1.342 4 I HN 0.430 nan 8.210 nan 0.000 0.457 5 L N 7.375 128.637 121.223 0.064 0.000 2.322 5 L HA 0.605 4.948 4.340 0.004 0.000 0.281 5 L C -0.602 176.295 176.870 0.045 0.000 1.014 5 L CA -0.638 54.259 54.840 0.094 0.000 0.815 5 L CB 1.772 43.967 42.059 0.227 0.000 1.247 5 L HN 0.457 nan 8.230 nan 0.000 0.421 6 I N 4.074 124.677 120.570 0.055 0.000 2.436 6 I HA 0.398 4.570 4.170 0.004 0.000 0.289 6 I C -0.430 175.769 176.117 0.136 0.000 1.010 6 I CA -0.412 60.907 61.300 0.032 0.000 1.098 6 I CB 2.361 40.331 38.000 -0.051 0.000 1.266 6 I HN 0.445 nan 8.210 nan 0.000 0.434 7 I N 5.741 126.365 120.570 0.090 0.000 2.307 7 I HA 0.594 4.767 4.170 0.004 0.000 0.289 7 I C 0.457 176.604 176.117 0.049 0.000 1.021 7 I CA -0.217 61.141 61.300 0.097 0.000 1.224 7 I CB 1.138 39.146 38.000 0.012 0.000 1.376 7 I HN 0.828 nan 8.210 nan 0.000 0.470 8 G N 3.679 112.520 108.800 0.069 0.000 3.067 8 G HA2 0.020 3.983 3.960 0.004 0.000 0.686 8 G HA3 0.020 3.983 3.960 0.004 0.000 0.686 8 G C -0.065 174.846 174.900 0.017 0.000 1.119 8 G CA -0.482 44.647 45.100 0.047 0.000 0.790 8 G HN 0.967 nan 8.290 nan 0.000 0.605 9 G N 0.322 109.143 108.800 0.035 0.000 4.433 9 G HA2 0.652 4.614 3.960 0.004 0.000 0.304 9 G HA3 0.652 4.614 3.960 0.004 0.000 0.304 9 G C 0.656 175.567 174.900 0.017 0.000 1.254 9 G CA 0.771 45.868 45.100 -0.004 0.000 0.999 9 G HN 1.302 nan 8.290 nan 0.000 0.576 10 V N -0.124 119.771 119.914 -0.032 0.000 7.034 10 V HA 0.603 4.725 4.120 0.004 0.000 0.237 10 V C 2.273 178.311 176.094 -0.093 0.000 1.632 10 V CA 0.444 62.672 62.300 -0.120 0.000 0.733 10 V CB -0.177 31.446 31.823 -0.334 0.000 1.824 10 V HN 0.128 nan 8.190 nan 0.000 0.333 11 A N 0.432 123.178 122.820 -0.123 0.000 1.877 11 A HA 0.017 4.339 4.320 0.004 0.000 0.216 11 A C 2.086 179.635 177.584 -0.059 0.000 1.186 11 A CA 2.387 54.371 52.037 -0.088 0.000 0.620 11 A CB -1.401 17.544 19.000 -0.092 0.000 0.822 11 A HN 0.927 nan 8.150 nan 0.000 0.443 12 G N -0.996 107.771 108.800 -0.056 0.000 2.425 12 G HA2 0.152 4.115 3.960 0.004 0.000 0.213 12 G HA3 0.152 4.115 3.960 0.004 0.000 0.213 12 G C 1.539 176.411 174.900 -0.047 0.000 1.201 12 G CA 1.137 46.207 45.100 -0.050 0.000 0.799 12 G HN 0.692 nan 8.290 nan 0.000 0.534 13 G N 0.946 109.719 108.800 -0.046 0.000 2.402 13 G HA2 0.110 4.073 3.960 0.004 0.000 0.216 13 G HA3 0.110 4.073 3.960 0.004 0.000 0.216 13 G C 2.021 176.877 174.900 -0.073 0.000 1.162 13 G CA 1.525 46.591 45.100 -0.056 0.000 0.777 13 G HN 0.633 nan 8.290 nan 0.000 0.539 14 A N 0.750 123.544 122.820 -0.044 0.000 1.929 14 A HA 0.047 4.369 4.320 0.004 0.000 0.216 14 A C 2.636 180.248 177.584 0.047 0.000 1.176 14 A CA 2.160 54.204 52.037 0.012 0.000 0.628 14 A CB -0.760 18.327 19.000 0.145 0.000 0.816 14 A HN 0.513 nan 8.150 nan 0.000 0.444 15 S N 0.295 115.995 115.700 -0.001 0.000 2.359 15 S HA -0.118 4.354 4.470 0.004 0.000 0.224 15 S C 2.167 176.732 174.600 -0.059 0.000 1.035 15 S CA 1.828 60.008 58.200 -0.032 0.000 1.018 15 S CB -0.549 62.632 63.200 -0.033 0.000 0.876 15 S HN 0.903 nan 8.310 nan 0.000 0.448 16 A N 1.293 124.078 122.820 -0.058 0.000 1.933 16 A HA 0.243 4.565 4.320 0.004 0.000 0.218 16 A C 2.499 180.040 177.584 -0.072 0.000 1.175 16 A CA 1.901 53.901 52.037 -0.062 0.000 0.628 16 A CB -1.366 17.597 19.000 -0.063 0.000 0.814 16 A HN 0.884 nan 8.150 nan 0.000 0.444 17 A N -0.299 122.462 122.820 -0.098 0.000 1.897 17 A HA 0.276 4.598 4.320 0.004 0.000 0.215 17 A C 2.501 179.995 177.584 -0.150 0.000 1.181 17 A CA 1.783 53.750 52.037 -0.117 0.000 0.620 17 A CB -0.972 17.891 19.000 -0.228 0.000 0.821 17 A HN 0.966 nan 8.150 nan 0.000 0.443 18 A N -0.036 122.642 122.820 -0.237 0.000 1.877 18 A HA -0.139 4.184 4.320 0.004 0.000 0.216 18 A C 2.192 179.512 177.584 -0.440 0.000 1.186 18 A CA 2.125 53.744 52.037 -0.698 0.000 0.620 18 A CB -0.455 18.024 19.000 -0.868 0.000 0.822 18 A HN 0.444 nan 8.150 nan 0.000 0.443 19 R N 0.294 120.663 120.500 -0.218 0.000 2.081 19 R HA -0.016 4.327 4.340 0.004 0.000 0.235 19 R C 2.101 178.346 176.300 -0.093 0.000 1.131 19 R CA 1.952 57.980 56.100 -0.120 0.000 0.960 19 R CB -0.945 29.314 30.300 -0.068 0.000 0.856 19 R HN 0.384 nan 8.270 nan 0.000 0.436 20 A N 0.462 123.257 122.820 -0.041 0.000 1.908 20 A HA -0.176 4.147 4.320 0.004 0.000 0.218 20 A C 2.187 179.751 177.584 -0.033 0.000 1.181 20 A CA 1.781 53.854 52.037 0.061 0.000 0.627 20 A CB -0.572 18.549 19.000 0.202 0.000 0.818 20 A HN 0.327 nan 8.150 nan 0.000 0.445 21 R N 0.143 120.636 120.500 -0.012 0.000 2.073 21 R HA -0.037 4.306 4.340 0.004 0.000 0.234 21 R C 2.194 178.503 176.300 0.014 0.000 1.134 21 R CA 1.875 58.006 56.100 0.052 0.000 0.952 21 R CB -0.622 29.799 30.300 0.202 0.000 0.850 21 R HN 0.546 nan 8.270 nan 0.000 0.433 22 R N -0.052 120.454 120.500 0.009 0.000 2.127 22 R HA -0.079 4.264 4.340 0.004 0.000 0.238 22 R C 2.248 178.485 176.300 -0.104 0.000 1.134 22 R CA 1.617 57.718 56.100 0.002 0.000 0.975 22 R CB -0.433 29.875 30.300 0.014 0.000 0.865 22 R HN 0.267 nan 8.270 nan 0.000 0.447 23 L N -0.220 120.868 121.223 -0.226 0.000 2.217 23 L HA -0.031 4.312 4.340 0.004 0.000 0.211 23 L C 0.939 177.538 176.870 -0.452 0.000 1.107 23 L CA 0.514 55.108 54.840 -0.410 0.000 0.783 23 L CB 0.022 41.630 42.059 -0.752 0.000 0.919 23 L HN 0.040 nan 8.230 nan 0.000 0.442 24 S N -1.448 114.046 115.700 -0.344 0.000 2.592 24 S HA 0.196 4.669 4.470 0.004 0.000 0.275 24 S C 0.255 174.825 174.600 -0.051 0.000 1.169 24 S CA -0.728 57.350 58.200 -0.204 0.000 0.958 24 S CB 1.394 64.461 63.200 -0.222 0.000 1.095 24 S HN 0.019 nan 8.310 nan 0.000 0.471 25 E N 2.429 122.621 120.200 -0.013 0.000 2.371 25 E HA -0.005 4.347 4.350 0.004 0.000 0.194 25 E C 1.747 178.372 176.600 0.042 0.000 1.012 25 E CA 1.471 57.883 56.400 0.021 0.000 0.860 25 E CB 0.101 29.810 29.700 0.015 0.000 0.811 25 E HN 0.892 nan 8.360 nan 0.000 0.502 26 T N -1.722 112.863 114.554 0.051 0.000 3.054 26 T HA 0.263 4.616 4.350 0.004 0.000 0.259 26 T C 1.122 175.873 174.700 0.086 0.000 1.092 26 T CA 0.314 62.451 62.100 0.062 0.000 1.121 26 T CB 0.080 68.984 68.868 0.060 0.000 0.912 26 T HN 0.056 nan 8.240 nan 0.000 0.489 27 A N 1.836 124.733 122.820 0.129 0.000 2.520 27 A HA 0.321 4.644 4.320 0.004 0.000 0.245 27 A C 0.272 177.914 177.584 0.097 0.000 1.072 27 A CA -0.370 51.753 52.037 0.144 0.000 0.761 27 A CB -0.212 18.940 19.000 0.253 0.000 1.004 27 A HN 0.638 nan 8.150 nan 0.000 0.499 28 E N 2.010 122.253 120.200 0.072 0.000 2.259 28 E HA 0.481 4.834 4.350 0.004 0.000 0.281 28 E C -1.074 175.552 176.600 0.043 0.000 1.037 28 E CA -0.198 56.233 56.400 0.051 0.000 0.854 28 E CB 0.382 30.108 29.700 0.044 0.000 1.051 28 E HN 0.540 nan 8.360 nan 0.000 0.409 29 I N 6.354 126.937 120.570 0.022 0.000 2.439 29 I HA 0.349 4.522 4.170 0.004 0.000 0.285 29 I C -0.365 175.705 176.117 -0.078 0.000 1.021 29 I CA -0.487 60.807 61.300 -0.010 0.000 1.091 29 I CB 1.217 39.220 38.000 0.004 0.000 1.242 29 I HN 0.542 nan 8.210 nan 0.000 0.439 33 E N 2.089 122.402 120.200 0.188 0.000 2.278 33 E HA 0.396 4.748 4.350 0.004 0.000 0.272 33 E C 0.167 176.851 176.600 0.140 0.000 0.890 33 E CA -0.799 55.684 56.400 0.138 0.000 0.770 33 E CB 1.401 31.161 29.700 0.100 0.000 1.212 33 E HN 0.567 nan 8.360 nan 0.000 0.415 34 R N 2.815 123.389 120.500 0.122 0.000 2.193 34 R HA 0.168 4.510 4.340 0.004 0.000 0.213 34 R C 0.580 176.923 176.300 0.071 0.000 1.055 34 R CA 0.870 57.030 56.100 0.099 0.000 0.995 34 R CB -0.068 30.272 30.300 0.068 0.000 0.893 34 R HN 0.369 nan 8.270 nan 0.000 0.459 35 G N 0.472 109.314 108.800 0.070 0.000 2.532 35 G HA2 0.057 4.019 3.960 0.004 0.000 0.291 35 G HA3 0.057 4.019 3.960 0.004 0.000 0.291 35 G C -0.063 174.805 174.900 -0.053 0.000 1.349 35 G CA -0.389 44.722 45.100 0.018 0.000 1.038 35 G HN 0.249 nan 8.290 nan 0.000 0.518 36 E N -1.798 118.274 120.200 -0.214 0.000 2.400 36 E HA 0.097 4.449 4.350 0.004 0.000 0.195 36 E C -0.567 175.720 176.600 -0.522 0.000 1.012 36 E CA 0.152 56.291 56.400 -0.435 0.000 0.875 36 E CB 0.150 29.433 29.700 -0.694 0.000 0.859 36 E HN 0.401 nan 8.360 nan 0.000 0.498 37 Y N -0.292 120.014 120.300 0.008 0.000 2.524 37 Y HA 0.384 4.937 4.550 0.004 0.000 0.344 37 Y C 0.053 176.095 175.900 0.237 0.000 1.012 37 Y CA -1.273 56.876 58.100 0.083 0.000 1.068 37 Y CB 1.753 40.208 38.460 -0.008 0.000 1.249 37 Y HN -0.192 nan 8.280 nan 0.000 0.468 38 V N -1.982 118.193 119.914 0.434 0.000 3.046 38 V HA 0.667 4.789 4.120 0.004 0.000 0.316 38 V C 0.154 176.485 176.094 0.396 0.000 1.104 38 V CA -1.466 61.060 62.300 0.376 0.000 1.006 38 V CB 1.463 33.438 31.823 0.253 0.000 1.058 38 V HN 0.857 nan 8.190 nan 0.000 0.440 39 S N 1.149 116.999 115.700 0.250 0.000 3.559 39 S HA -0.172 4.301 4.470 0.004 0.000 0.369 39 S C -0.282 174.400 174.600 0.136 0.000 0.987 39 S CA 1.401 59.690 58.200 0.148 0.000 1.187 39 S CB -2.194 61.146 63.200 0.232 0.000 0.914 39 S HN 1.467 nan 8.310 nan 0.000 0.480 40 F N -1.374 118.619 119.950 0.072 0.000 2.411 40 F HA 0.842 5.371 4.527 0.004 0.000 0.324 40 F C 0.305 176.111 175.800 0.010 0.000 1.086 40 F CA -1.150 56.856 58.000 0.009 0.000 1.028 40 F CB 0.934 39.915 39.000 -0.033 0.000 1.284 40 F HN 0.062 nan 8.300 nan 0.000 0.501 41 A N 2.059 124.972 122.820 0.155 0.000 2.910 41 A HA 0.309 4.632 4.320 0.004 0.000 0.316 41 A C 0.371 178.028 177.584 0.120 0.000 1.493 41 A CA -0.736 51.332 52.037 0.051 0.000 1.150 41 A CB -1.339 17.693 19.000 0.053 0.000 1.159 41 A HN 0.884 nan 8.150 nan 0.000 0.526 42 N N 1.013 119.733 118.700 0.032 0.000 2.091 42 N HA -0.208 4.535 4.740 0.004 0.000 0.193 42 N C 1.624 177.218 175.510 0.141 0.000 1.021 42 N CA 2.158 55.299 53.050 0.152 0.000 0.862 42 N CB -0.201 38.313 38.487 0.045 0.000 1.018 42 N HN 0.527 nan 8.380 nan 0.000 0.429 43 S N -0.660 115.098 115.700 0.097 0.000 2.447 43 S HA -0.001 4.472 4.470 0.004 0.000 0.233 43 S C 2.040 176.757 174.600 0.195 0.000 1.006 43 S CA 0.937 59.215 58.200 0.129 0.000 0.957 43 S CB -0.564 62.684 63.200 0.080 0.000 0.773 43 S HN 0.614 nan 8.310 nan 0.000 0.507 44 G N 1.590 110.495 108.800 0.175 0.000 2.484 44 G HA2 -0.007 3.955 3.960 0.004 0.000 0.218 44 G HA3 -0.007 3.955 3.960 0.004 0.000 0.218 44 G C 1.232 176.249 174.900 0.195 0.000 1.130 44 G CA 0.136 45.367 45.100 0.219 0.000 0.784 44 G HN 0.420 nan 8.290 nan 0.000 0.543 45 L N 0.777 122.079 121.223 0.132 0.000 1.990 45 L HA -0.098 4.245 4.340 0.004 0.000 0.213 45 L C 0.150 177.033 176.870 0.021 0.000 1.072 45 L CA 1.488 56.381 54.840 0.088 0.000 0.755 45 L CB -1.441 40.668 42.059 0.085 0.000 0.889 45 L HN 0.174 nan 8.230 nan 0.000 0.432 46 P HA -0.166 nan 4.420 nan 0.000 0.217 46 P C 1.196 178.306 177.300 -0.316 0.000 1.150 46 P CA 1.392 64.337 63.100 -0.257 0.000 0.832 46 P CB -0.080 31.356 31.700 -0.439 0.000 0.787 47 Y N -2.178 118.137 120.300 0.024 0.000 2.421 47 Y HA -0.139 4.413 4.550 0.004 0.000 0.292 47 Y C 2.631 178.545 175.900 0.024 0.000 1.136 47 Y CA 1.133 59.232 58.100 -0.001 0.000 1.255 47 Y CB -1.330 37.130 38.460 -0.001 0.000 0.991 47 Y HN 0.138 nan 8.280 nan 0.000 0.552 48 H N -0.071 119.045 119.070 0.077 0.000 2.372 48 H HA -0.052 4.507 4.556 0.005 0.000 0.301 48 H C 2.011 177.347 175.328 0.013 0.000 1.065 48 H CA 1.503 57.575 56.048 0.039 0.000 1.364 48 H CB -0.361 29.412 29.762 0.019 0.000 1.406 48 H HN 0.243 nan 8.280 nan 0.000 0.521 49 I N 0.233 120.755 120.570 -0.079 0.000 2.145 49 I HA -0.328 3.844 4.170 0.004 0.000 0.244 49 I C 2.321 178.370 176.117 -0.112 0.000 1.075 49 I CA 1.888 63.114 61.300 -0.123 0.000 1.332 49 I CB -0.425 37.537 38.000 -0.064 0.000 1.033 49 I HN 0.414 nan 8.210 nan 0.000 0.410 50 S N 0.188 115.843 115.700 -0.076 0.000 2.607 50 S HA 0.118 4.590 4.470 0.004 0.000 0.224 50 S C 1.754 176.325 174.600 -0.049 0.000 0.969 50 S CA 0.448 58.629 58.200 -0.032 0.000 0.927 50 S CB 0.033 63.181 63.200 -0.087 0.000 0.772 50 S HN 0.688 nan 8.310 nan 0.000 0.533 51 G N 1.278 110.013 108.800 -0.109 0.000 2.212 51 G HA2 -0.330 3.633 3.960 0.004 0.000 0.266 51 G HA3 -0.330 3.633 3.960 0.004 0.000 0.266 51 G C 0.808 175.688 174.900 -0.033 0.000 0.978 51 G CA 0.483 45.536 45.100 -0.079 0.000 0.632 51 G HN 0.464 nan 8.290 nan 0.000 0.537 52 E N 0.004 120.162 120.200 -0.071 0.000 2.097 52 E HA -0.096 4.257 4.350 0.004 0.000 0.196 52 E C 1.482 178.099 176.600 0.028 0.000 1.000 52 E CA 1.022 57.397 56.400 -0.041 0.000 0.804 52 E CB -0.057 29.628 29.700 -0.025 0.000 0.740 52 E HN 0.676 nan 8.360 nan 0.000 0.454 53 I N 0.919 121.549 120.570 0.101 0.000 2.291 53 I HA 0.060 4.232 4.170 0.004 0.000 0.292 53 I C 1.114 177.363 176.117 0.219 0.000 1.064 53 I CA -0.297 61.089 61.300 0.143 0.000 1.269 53 I CB 1.431 39.544 38.000 0.187 0.000 1.418 53 I HN -0.072 nan 8.210 nan 0.000 0.485 54 A N 5.515 128.422 122.820 0.145 0.000 2.021 54 A HA -0.044 4.279 4.320 0.004 0.000 0.216 54 A C 1.065 178.794 177.584 0.242 0.000 1.163 54 A CA 0.561 52.682 52.037 0.141 0.000 0.676 54 A CB 0.014 19.061 19.000 0.078 0.000 0.818 54 A HN 0.747 nan 8.150 nan 0.000 0.453 55 Q N -0.166 119.735 119.800 0.169 0.000 2.325 55 Q HA 0.367 4.709 4.340 0.004 0.000 0.262 55 Q C 0.660 176.585 176.000 -0.126 0.000 0.968 55 Q CA -0.714 55.130 55.803 0.070 0.000 0.877 55 Q CB 1.110 29.864 28.738 0.027 0.000 1.253 55 Q HN 0.424 nan 8.270 nan 0.000 0.448 56 R N 1.822 122.166 120.500 -0.260 0.000 2.096 56 R HA -0.186 4.157 4.340 0.004 0.000 0.240 56 R C 1.787 177.924 176.300 -0.272 0.000 1.139 56 R CA 2.420 58.228 56.100 -0.486 0.000 0.952 56 R CB -0.153 29.995 30.300 -0.255 0.000 0.854 56 R HN 0.878 nan 8.270 nan 0.000 0.436 57 S N 0.325 115.938 115.700 -0.144 0.000 2.407 57 S HA -0.197 4.276 4.470 0.004 0.000 0.235 57 S C 2.078 176.626 174.600 -0.086 0.000 1.036 57 S CA 1.192 59.335 58.200 -0.094 0.000 1.013 57 S CB -0.414 62.759 63.200 -0.045 0.000 0.820 57 S HN 0.492 nan 8.310 nan 0.000 0.476 58 A N 1.399 124.168 122.820 -0.085 0.000 2.125 58 A HA 0.178 4.500 4.320 0.004 0.000 0.219 58 A C 2.071 179.625 177.584 -0.051 0.000 1.156 58 A CA 0.975 52.980 52.037 -0.052 0.000 0.671 58 A CB -0.690 18.292 19.000 -0.030 0.000 0.794 58 A HN 0.569 nan 8.150 nan 0.000 0.459 59 L N -0.738 120.429 121.223 -0.095 0.000 2.509 59 L HA 0.080 4.422 4.340 0.004 0.000 0.222 59 L C -0.223 176.633 176.870 -0.024 0.000 1.123 59 L CA -0.021 54.783 54.840 -0.061 0.000 0.856 59 L CB 0.149 42.131 42.059 -0.128 0.000 0.985 59 L HN 0.076 nan 8.230 nan 0.000 0.456 60 V N 0.964 120.845 119.914 -0.055 0.000 2.357 60 V HA 0.176 4.298 4.120 0.004 0.000 0.284 60 V C 0.760 176.872 176.094 0.030 0.000 1.018 60 V CA -0.201 62.099 62.300 -0.001 0.000 0.841 60 V CB 1.813 33.605 31.823 -0.052 0.000 0.991 60 V HN 0.164 nan 8.190 nan 0.000 0.437 61 L N 2.697 123.956 121.223 0.060 0.000 2.463 61 L HA 0.307 4.649 4.340 0.004 0.000 0.219 61 L C 0.777 177.661 176.870 0.023 0.000 1.088 61 L CA 0.576 55.434 54.840 0.031 0.000 0.849 61 L CB 0.163 42.234 42.059 0.020 0.000 1.012 61 L HN 0.562 nan 8.230 nan 0.000 0.468 62 Q N -0.279 119.564 119.800 0.071 0.000 2.501 62 Q HA 0.482 4.825 4.340 0.004 0.000 0.288 62 Q C -0.581 175.509 176.000 0.151 0.000 1.051 62 Q CA -0.290 55.540 55.803 0.046 0.000 0.788 62 Q CB 2.548 31.262 28.738 -0.040 0.000 1.469 62 Q HN 0.085 nan 8.270 nan 0.000 0.416 63 T N -3.552 111.090 114.554 0.146 0.000 2.926 63 T HA 0.492 4.845 4.350 0.004 0.000 0.289 63 T C -2.110 172.731 174.700 0.235 0.000 1.054 63 T CA -1.994 60.216 62.100 0.183 0.000 1.015 63 T CB 1.734 70.673 68.868 0.119 0.000 1.167 63 T HN 0.079 nan 8.240 nan 0.000 0.526 64 P HA -0.102 nan 4.420 nan 0.000 0.215 64 P C 1.147 178.533 177.300 0.144 0.000 1.157 64 P CA 1.308 64.495 63.100 0.144 0.000 0.874 64 P CB 0.069 31.801 31.700 0.053 0.000 0.790 65 E N -0.352 119.907 120.200 0.098 0.000 2.051 65 E HA -0.155 4.198 4.350 0.004 0.000 0.192 65 E C 2.245 178.888 176.600 0.070 0.000 0.991 65 E CA 1.858 58.299 56.400 0.068 0.000 0.799 65 E CB -1.018 28.706 29.700 0.040 0.000 0.748 65 E HN 0.310 nan 8.360 nan 0.000 0.449 66 S N -0.115 115.623 115.700 0.063 0.000 2.368 66 S HA -0.167 4.306 4.470 0.004 0.000 0.225 66 S C 2.038 176.639 174.600 0.001 0.000 1.030 66 S CA 0.753 58.953 58.200 -0.000 0.000 0.999 66 S CB -0.713 62.468 63.200 -0.031 0.000 0.844 66 S HN 0.242 nan 8.310 nan 0.000 0.459 67 F N 2.155 122.151 119.950 0.078 0.000 2.126 67 F HA -0.049 4.480 4.527 0.004 0.000 0.299 67 F C 2.686 178.544 175.800 0.098 0.000 1.096 67 F CA 1.652 59.735 58.000 0.138 0.000 1.255 67 F CB -0.183 38.885 39.000 0.114 0.000 0.997 67 F HN 0.231 nan 8.300 nan 0.000 0.479 68 K N 0.272 120.822 120.400 0.250 0.000 2.097 68 K HA -0.136 4.186 4.320 0.004 0.000 0.206 68 K C 1.984 178.625 176.600 0.068 0.000 1.049 68 K CA 1.330 57.698 56.287 0.134 0.000 0.933 68 K CB -0.244 32.301 32.500 0.075 0.000 0.717 68 K HN 0.192 nan 8.250 nan 0.000 0.442 69 A N 0.462 123.294 122.820 0.021 0.000 1.878 69 A HA -0.016 4.306 4.320 0.004 0.000 0.213 69 A C 2.137 179.656 177.584 -0.109 0.000 1.192 69 A CA 1.160 53.175 52.037 -0.038 0.000 0.619 69 A CB -0.447 18.525 19.000 -0.047 0.000 0.837 69 A HN 0.314 nan 8.150 nan 0.000 0.446 70 R N -1.691 118.690 120.500 -0.198 0.000 2.055 70 R HA -0.013 4.330 4.340 0.004 0.000 0.228 70 R C 0.951 176.939 176.300 -0.521 0.000 1.143 70 R CA 1.798 57.612 56.100 -0.477 0.000 0.945 70 R CB -0.266 29.572 30.300 -0.771 0.000 0.841 70 R HN 0.421 nan 8.270 nan 0.000 0.429 71 F N 0.615 120.594 119.950 0.049 0.000 2.664 71 F HA 0.248 4.778 4.527 0.004 0.000 0.303 71 F C 0.406 176.263 175.800 0.094 0.000 1.092 71 F CA -0.438 57.619 58.000 0.095 0.000 1.305 71 F CB -0.248 38.875 39.000 0.204 0.000 1.054 71 F HN 0.116 nan 8.300 nan 0.000 0.565 72 N N 1.135 119.940 118.700 0.175 0.000 2.701 72 N HA -0.203 4.540 4.740 0.004 0.000 0.252 72 N C -0.988 174.605 175.510 0.139 0.000 1.002 72 N CA 0.263 53.389 53.050 0.127 0.000 0.758 72 N CB -0.948 37.590 38.487 0.084 0.000 0.937 72 N HN -0.000 nan 8.380 nan 0.000 0.538 73 V N 0.776 120.804 119.914 0.190 0.000 2.370 73 V HA 0.176 4.298 4.120 0.004 0.000 0.279 73 V C 0.738 176.831 176.094 -0.002 0.000 1.029 73 V CA -0.745 61.601 62.300 0.076 0.000 0.870 73 V CB 1.555 33.412 31.823 0.058 0.000 0.984 73 V HN 0.251 nan 8.190 nan 0.000 0.451 74 E N 3.814 123.974 120.200 -0.067 0.000 2.166 74 E HA 0.271 4.623 4.350 0.004 0.000 0.279 74 E C -1.070 175.404 176.600 -0.210 0.000 1.095 74 E CA -0.196 56.138 56.400 -0.110 0.000 0.888 74 E CB 1.219 30.849 29.700 -0.117 0.000 1.041 74 E HN 0.484 nan 8.360 nan 0.000 0.414 75 V N 6.152 125.956 119.914 -0.185 0.000 2.370 75 V HA 0.301 4.423 4.120 0.004 0.000 0.279 75 V C -0.034 175.923 176.094 -0.228 0.000 1.029 75 V CA -0.479 61.680 62.300 -0.236 0.000 0.870 75 V CB 1.417 33.138 31.823 -0.170 0.000 0.984 75 V HN 0.607 nan 8.190 nan 0.000 0.451 76 R N 3.894 124.216 120.500 -0.297 0.000 2.272 76 R HA 0.535 4.878 4.340 0.004 0.000 0.323 76 R C -0.408 175.760 176.300 -0.220 0.000 1.002 76 R CA -0.433 55.436 56.100 -0.385 0.000 0.900 76 R CB 1.654 31.583 30.300 -0.618 0.000 1.151 76 R HN 0.679 nan 8.270 nan 0.000 0.507 77 V N -0.444 119.388 119.914 -0.137 0.000 3.170 77 V HA 0.325 4.448 4.120 0.004 0.000 0.309 77 V C 0.491 176.626 176.094 0.068 0.000 1.071 77 V CA -0.984 61.305 62.300 -0.018 0.000 1.063 77 V CB 1.038 32.838 31.823 -0.039 0.000 1.123 77 V HN 0.786 nan 8.190 nan 0.000 0.464 78 K N 0.003 120.459 120.400 0.093 0.000 3.012 78 K HA -0.217 4.106 4.320 0.004 0.000 0.259 78 K C -0.206 176.592 176.600 0.329 0.000 0.989 78 K CA 1.444 57.827 56.287 0.160 0.000 0.728 78 K CB -1.813 30.749 32.500 0.103 0.000 1.260 78 K HN 0.942 nan 8.250 nan 0.000 0.480 79 H N 0.020 119.159 119.070 0.114 0.000 2.800 79 H HA 0.198 4.756 4.556 0.004 0.000 0.322 79 H C -0.669 174.717 175.328 0.096 0.000 0.979 79 H CA -0.797 55.347 56.048 0.160 0.000 1.277 79 H CB 1.490 31.456 29.762 0.339 0.000 1.484 79 H HN 0.191 nan 8.280 nan 0.000 0.512 80 E N 3.480 123.730 120.200 0.082 0.000 2.175 80 E HA 0.256 4.609 4.350 0.004 0.000 0.278 80 E C -0.690 175.827 176.600 -0.138 0.000 0.969 80 E CA -0.816 55.580 56.400 -0.006 0.000 0.796 80 E CB 1.347 31.036 29.700 -0.018 0.000 1.104 80 E HN 0.264 nan 8.360 nan 0.000 0.395 81 V N 5.504 125.293 119.914 -0.208 0.000 2.508 81 V HA 0.013 4.135 4.120 0.004 0.000 0.281 81 V C 1.065 177.045 176.094 -0.191 0.000 1.041 81 V CA 0.134 62.247 62.300 -0.312 0.000 1.016 81 V CB 1.067 32.662 31.823 -0.380 0.000 0.984 81 V HN 0.737 nan 8.190 nan 0.000 0.478 82 V N 1.588 121.389 119.914 -0.189 0.000 3.556 82 V HA 0.807 4.930 4.120 0.004 0.000 0.287 82 V C 0.451 176.479 176.094 -0.109 0.000 1.422 82 V CA 0.536 62.759 62.300 -0.128 0.000 1.038 82 V CB 0.066 31.820 31.823 -0.115 0.000 0.850 82 V HN 0.992 nan 8.190 nan 0.000 0.437 83 A N 0.243 122.989 122.820 -0.124 0.000 2.594 83 A HA 0.799 5.122 4.320 0.004 0.000 0.296 83 A C -1.415 176.119 177.584 -0.084 0.000 1.056 83 A CA -0.471 51.514 52.037 -0.087 0.000 0.693 83 A CB 1.223 20.181 19.000 -0.070 0.000 1.278 83 A HN 0.276 nan 8.150 nan 0.000 0.408 84 I N 1.537 122.077 120.570 -0.050 0.000 2.382 84 I HA 0.329 4.501 4.170 0.004 0.000 0.286 84 I C -1.265 174.873 176.117 0.036 0.000 1.002 84 I CA -0.346 60.950 61.300 -0.007 0.000 1.135 84 I CB 1.915 39.898 38.000 -0.028 0.000 1.288 84 I HN 0.600 nan 8.210 nan 0.000 0.448 85 D N 6.269 126.712 120.400 0.072 0.000 2.454 85 D HA 0.300 4.942 4.640 0.004 0.000 0.225 85 D C 0.950 177.293 176.300 0.072 0.000 1.081 85 D CA -0.584 53.443 54.000 0.045 0.000 0.864 85 D CB 1.259 42.068 40.800 0.016 0.000 1.040 85 D HN 0.343 nan 8.370 nan 0.000 0.517 86 R N 1.962 122.503 120.500 0.069 0.000 2.075 86 R HA -0.085 4.258 4.340 0.004 0.000 0.232 86 R C 1.863 178.179 176.300 0.026 0.000 1.126 86 R CA 0.970 57.124 56.100 0.090 0.000 0.963 86 R CB -0.099 30.241 30.300 0.067 0.000 0.858 86 R HN 0.440 nan 8.270 nan 0.000 0.435 87 A N 1.227 124.048 122.820 0.003 0.000 1.873 87 A HA -0.050 4.272 4.320 0.004 0.000 0.215 87 A C 2.293 179.850 177.584 -0.045 0.000 1.186 87 A CA 1.612 53.638 52.037 -0.018 0.000 0.616 87 A CB -0.492 18.500 19.000 -0.014 0.000 0.823 87 A HN 0.369 nan 8.150 nan 0.000 0.442 88 A N -1.410 121.383 122.820 -0.045 0.000 2.119 88 A HA 0.140 4.462 4.320 0.004 0.000 0.217 88 A C 1.051 178.548 177.584 -0.145 0.000 1.153 88 A CA 1.071 53.066 52.037 -0.069 0.000 0.692 88 A CB -0.417 18.558 19.000 -0.041 0.000 0.799 88 A HN 0.496 nan 8.150 nan 0.000 0.458 89 K N -1.829 118.442 120.400 -0.215 0.000 3.239 89 K HA -0.148 4.174 4.320 0.004 0.000 0.270 89 K C -1.369 174.944 176.600 -0.478 0.000 1.049 89 K CA 0.375 56.293 56.287 -0.615 0.000 0.769 89 K CB -1.525 30.549 32.500 -0.711 0.000 1.305 89 K HN 0.288 nan 8.250 nan 0.000 0.469 90 L N 0.330 121.511 121.223 -0.071 0.000 2.401 90 L HA 0.509 4.852 4.340 0.004 0.000 0.266 90 L C -0.108 176.868 176.870 0.177 0.000 0.991 90 L CA -0.966 53.915 54.840 0.068 0.000 0.818 90 L CB 1.967 44.035 42.059 0.015 0.000 1.321 90 L HN 0.081 nan 8.230 nan 0.000 0.413 91 V N -0.722 119.284 119.914 0.153 0.000 2.612 91 V HA 0.815 4.938 4.120 0.004 0.000 0.301 91 V C -0.002 176.019 176.094 -0.122 0.000 1.046 91 V CA -0.332 61.963 62.300 -0.008 0.000 0.946 91 V CB 1.644 33.398 31.823 -0.115 0.000 1.003 91 V HN 0.787 nan 8.190 nan 0.000 0.459 92 T N 3.671 118.117 114.554 -0.180 0.000 2.795 92 T HA 0.678 5.031 4.350 0.004 0.000 0.282 92 T C -0.312 174.160 174.700 -0.380 0.000 0.980 92 T CA -0.316 61.636 62.100 -0.248 0.000 1.012 92 T CB 1.389 70.162 68.868 -0.159 0.000 0.936 92 T HN 0.742 nan 8.240 nan 0.000 0.457 93 V N 3.321 122.894 119.914 -0.569 0.000 2.680 93 V HA 0.594 4.717 4.120 0.004 0.000 0.309 93 V C 0.020 175.832 176.094 -0.471 0.000 1.052 93 V CA -1.097 60.814 62.300 -0.649 0.000 0.908 93 V CB 2.001 33.187 31.823 -1.061 0.000 1.001 93 V HN 0.754 nan 8.190 nan 0.000 0.431 94 R N 3.251 123.585 120.500 -0.277 0.000 2.445 94 R HA 0.537 4.880 4.340 0.004 0.000 0.308 94 R C -0.483 175.724 176.300 -0.156 0.000 0.961 94 R CA -0.726 55.270 56.100 -0.173 0.000 0.862 94 R CB 1.143 31.374 30.300 -0.114 0.000 1.144 94 R HN 0.679 nan 8.270 nan 0.000 0.447 95 R N 5.456 125.864 120.500 -0.154 0.000 2.248 95 R HA 0.137 4.480 4.340 0.004 0.000 0.337 95 R C 0.939 177.209 176.300 -0.050 0.000 1.106 95 R CA -0.177 55.819 56.100 -0.175 0.000 0.959 95 R CB 0.571 30.774 30.300 -0.162 0.000 1.075 95 R HN 0.673 nan 8.270 nan 0.000 0.480 96 L N 3.128 124.347 121.223 -0.006 0.000 2.261 96 L HA -0.248 4.095 4.340 0.004 0.000 0.216 96 L C 2.360 179.236 176.870 0.009 0.000 1.114 96 L CA 1.193 56.037 54.840 0.006 0.000 0.777 96 L CB -0.508 41.563 42.059 0.021 0.000 0.910 96 L HN 0.627 nan 8.230 nan 0.000 0.440 97 L N 0.422 121.658 121.223 0.021 0.000 2.046 97 L HA -0.202 4.141 4.340 0.004 0.000 0.208 97 L C 1.689 178.563 176.870 0.008 0.000 1.077 97 L CA 2.328 57.179 54.840 0.018 0.000 0.747 97 L CB -0.303 41.775 42.059 0.031 0.000 0.896 97 L HN 0.398 nan 8.230 nan 0.000 0.432 98 D N -2.023 118.379 120.400 0.003 0.000 2.527 98 D HA 0.178 4.821 4.640 0.004 0.000 0.224 98 D C 1.471 177.768 176.300 -0.004 0.000 1.217 98 D CA 0.332 54.332 54.000 0.001 0.000 0.819 98 D CB 0.131 40.933 40.800 0.004 0.000 1.061 98 D HN 0.417 nan 8.370 nan 0.000 0.515 99 G N 0.917 109.711 108.800 -0.010 0.000 2.175 99 G HA2 -0.324 3.639 3.960 0.004 0.000 0.265 99 G HA3 -0.324 3.639 3.960 0.004 0.000 0.265 99 G C 0.536 175.426 174.900 -0.016 0.000 0.979 99 G CA 0.816 45.906 45.100 -0.016 0.000 0.663 99 G HN 0.887 nan 8.290 nan 0.000 0.533 100 S N -0.846 114.849 115.700 -0.008 0.000 2.608 100 S HA 0.647 5.119 4.470 0.004 0.000 0.261 100 S C -0.044 174.562 174.600 0.010 0.000 1.314 100 S CA 0.049 58.254 58.200 0.007 0.000 0.992 100 S CB 1.987 65.200 63.200 0.023 0.000 0.935 100 S HN 0.486 nan 8.310 nan 0.000 0.564 101 E N 0.086 120.305 120.200 0.032 0.000 2.340 101 E HA 0.546 4.898 4.350 0.004 0.000 0.273 101 E C -1.515 175.144 176.600 0.098 0.000 0.891 101 E CA -0.765 55.635 56.400 0.000 0.000 0.757 101 E CB 2.010 31.677 29.700 -0.054 0.000 1.231 101 E HN 0.780 nan 8.360 nan 0.000 0.439 102 Y N -1.028 119.250 120.300 -0.037 0.000 2.644 102 Y HA 0.557 5.109 4.550 0.004 0.000 0.338 102 Y C -0.869 175.032 175.900 0.001 0.000 1.119 102 Y CA -1.015 57.082 58.100 -0.006 0.000 1.060 102 Y CB 1.260 39.730 38.460 0.017 0.000 1.294 102 Y HN 0.292 nan 8.280 nan 0.000 0.472 103 Q N 0.723 120.587 119.800 0.105 0.000 2.351 103 Q HA 0.538 4.881 4.340 0.004 0.000 0.273 103 Q C -1.636 174.469 176.000 0.175 0.000 1.077 103 Q CA -1.155 54.658 55.803 0.018 0.000 0.843 103 Q CB 2.754 31.509 28.738 0.028 0.000 1.367 103 Q HN 0.733 nan 8.270 nan 0.000 0.449 104 E N 0.186 120.466 120.200 0.134 0.000 2.321 104 E HA 0.276 4.628 4.350 0.004 0.000 0.278 104 E C -1.583 175.136 176.600 0.198 0.000 0.902 104 E CA -0.389 56.154 56.400 0.238 0.000 0.758 104 E CB 1.689 31.620 29.700 0.385 0.000 1.213 104 E HN 0.582 nan 8.360 nan 0.000 0.426 105 S N 2.386 118.183 115.700 0.161 0.000 2.646 105 S HA 0.744 5.216 4.470 0.004 0.000 0.276 105 S C -0.579 174.127 174.600 0.177 0.000 1.222 105 S CA -0.520 57.734 58.200 0.089 0.000 1.014 105 S CB 0.506 63.715 63.200 0.015 0.000 0.991 105 S HN 0.538 nan 8.310 nan 0.000 0.533 106 Y N -1.764 118.566 120.300 0.050 0.000 2.609 106 Y HA 0.640 5.192 4.550 0.004 0.000 0.342 106 Y C -0.107 175.808 175.900 0.025 0.000 1.058 106 Y CA -1.315 56.813 58.100 0.046 0.000 1.055 106 Y CB 0.585 39.075 38.460 0.052 0.000 1.292 106 Y HN 0.448 nan 8.280 nan 0.000 0.476 107 D N 0.408 120.898 120.400 0.151 0.000 2.262 107 D HA 0.120 4.762 4.640 0.004 0.000 0.212 107 D C -0.231 176.213 176.300 0.240 0.000 0.964 107 D CA 1.205 55.255 54.000 0.082 0.000 0.875 107 D CB 0.561 41.382 40.800 0.034 0.000 0.996 107 D HN 0.652 nan 8.370 nan 0.000 0.497 108 T N 0.605 115.346 114.554 0.311 0.000 2.923 108 T HA 0.488 4.841 4.350 0.004 0.000 0.311 108 T C -1.177 173.588 174.700 0.108 0.000 1.183 108 T CA -0.637 61.613 62.100 0.251 0.000 1.020 108 T CB 2.609 71.508 68.868 0.051 0.000 1.165 108 T HN -0.145 nan 8.240 nan 0.000 0.482 109 L N 2.509 123.702 121.223 -0.050 0.000 2.370 109 L HA 0.909 5.251 4.340 0.004 0.000 0.266 109 L C -1.837 174.993 176.870 -0.065 0.000 1.002 109 L CA -1.035 53.661 54.840 -0.240 0.000 0.818 109 L CB 1.860 43.505 42.059 -0.689 0.000 1.325 109 L HN 0.682 nan 8.230 nan 0.000 0.418 110 L N 4.632 125.821 121.223 -0.057 0.000 2.385 110 L HA 0.647 4.990 4.340 0.004 0.000 0.273 110 L C -1.808 175.047 176.870 -0.025 0.000 0.990 110 L CA -0.264 54.572 54.840 -0.006 0.000 0.821 110 L CB 1.709 43.756 42.059 -0.021 0.000 1.279 110 L HN 0.547 nan 8.230 nan 0.000 0.412 111 L N 4.432 125.645 121.223 -0.017 0.000 2.280 111 L HA 0.527 4.869 4.340 0.004 0.000 0.287 111 L C 0.223 177.083 176.870 -0.018 0.000 1.023 111 L CA -0.294 54.529 54.840 -0.029 0.000 0.819 111 L CB 1.596 43.632 42.059 -0.039 0.000 1.212 111 L HN 0.752 nan 8.230 nan 0.000 0.420 112 S N 3.884 119.575 115.700 -0.015 0.000 2.327 112 S HA 0.336 4.808 4.470 0.004 0.000 0.203 112 S C -1.550 173.046 174.600 -0.007 0.000 1.326 112 S CA -0.876 57.314 58.200 -0.016 0.000 1.248 112 S CB 0.411 63.597 63.200 -0.024 0.000 1.199 112 S HN 0.477 nan 8.310 nan 0.000 0.422 113 P HA 0.253 nan 4.420 nan 0.000 0.245 113 P C 1.072 178.381 177.300 0.016 0.000 1.212 113 P CA 0.702 63.808 63.100 0.009 0.000 0.774 113 P CB -0.211 31.489 31.700 -0.000 0.000 0.999 114 G N 0.582 109.387 108.800 0.007 0.000 2.525 114 G HA2 0.062 4.025 3.960 0.004 0.000 0.248 114 G HA3 0.062 4.025 3.960 0.004 0.000 0.248 114 G C -0.657 174.253 174.900 0.016 0.000 1.238 114 G CA -0.243 44.865 45.100 0.013 0.000 0.926 114 G HN 0.597 nan 8.290 nan 0.000 0.574 115 A N -1.156 121.680 122.820 0.026 0.000 2.486 115 A HA 1.025 5.348 4.320 0.004 0.000 0.300 115 A C 0.013 177.615 177.584 0.030 0.000 1.048 115 A CA 0.713 52.764 52.037 0.024 0.000 0.696 115 A CB 1.374 20.389 19.000 0.025 0.000 1.278 115 A HN 2.581 nan 8.150 nan 0.000 0.405 116 A N 2.698 125.532 122.820 0.022 0.000 2.324 116 A HA 0.886 5.208 4.320 0.004 0.000 0.330 116 A C -2.779 174.813 177.584 0.013 0.000 1.165 116 A CA -1.906 50.144 52.037 0.023 0.000 0.813 116 A CB 0.312 19.322 19.000 0.017 0.000 1.197 116 A HN 0.521 nan 8.150 nan 0.000 0.484 117 P HA 0.101 nan 4.420 nan 0.000 0.267 117 P C -0.550 176.747 177.300 -0.005 0.000 1.201 117 P CA 0.343 63.442 63.100 -0.002 0.000 0.775 117 P CB 0.332 32.032 31.700 -0.000 0.000 0.854 118 I N 1.811 122.373 120.570 -0.014 0.000 2.395 118 I HA 0.079 4.251 4.170 0.004 0.000 0.289 118 I C -0.074 176.034 176.117 -0.014 0.000 1.023 118 I CA -0.497 60.796 61.300 -0.013 0.000 1.350 118 I CB 0.900 38.890 38.000 -0.017 0.000 1.409 118 I HN -0.027 nan 8.210 nan 0.000 0.507 119 V N 8.641 128.548 119.914 -0.012 0.000 2.364 119 V HA 0.290 4.413 4.120 0.004 0.000 0.272 119 V C -1.854 174.231 176.094 -0.015 0.000 1.036 119 V CA -1.306 60.986 62.300 -0.015 0.000 0.880 119 V CB 0.634 32.449 31.823 -0.013 0.000 0.991 119 V HN 0.624 nan 8.190 nan 0.000 0.460 120 P HA 0.375 nan 4.420 nan 0.000 0.288 120 P C -2.575 174.716 177.300 -0.016 0.000 1.267 120 P CA -2.081 61.009 63.100 -0.016 0.000 0.815 120 P CB 1.027 32.716 31.700 -0.018 0.000 0.989 121 P HA 0.202 nan 4.420 nan 0.000 0.235 121 P C -0.340 176.953 177.300 -0.011 0.000 1.720 121 P CA 0.341 63.434 63.100 -0.012 0.000 1.003 121 P CB -0.403 31.291 31.700 -0.010 0.000 1.968 122 I N 3.093 123.655 120.570 -0.013 0.000 2.330 122 I HA 0.274 4.446 4.170 0.004 0.000 0.289 122 I C -2.052 174.058 176.117 -0.011 0.000 1.001 122 I CA -2.950 58.343 61.300 -0.012 0.000 1.193 122 I CB 1.792 39.783 38.000 -0.015 0.000 1.345 122 I HN -0.109 nan 8.210 nan 0.000 0.461 123 P HA 0.090 nan 4.420 nan 0.000 0.265 123 P C 0.814 178.112 177.300 -0.003 0.000 1.193 123 P CA 0.552 63.650 63.100 -0.004 0.000 0.765 123 P CB 0.638 32.338 31.700 -0.000 0.000 0.823 124 G N 1.628 110.426 108.800 -0.003 0.000 2.176 124 G HA2 -0.298 3.664 3.960 0.004 0.000 0.253 124 G HA3 -0.298 3.664 3.960 0.004 0.000 0.253 124 G C 0.887 175.777 174.900 -0.016 0.000 0.979 124 G CA 0.113 45.214 45.100 0.003 0.000 0.641 124 G HN 0.518 nan 8.290 nan 0.000 0.530 125 V N 0.888 120.785 119.914 -0.028 0.000 2.809 125 V HA 0.140 4.262 4.120 0.004 0.000 0.256 125 V C 1.131 177.182 176.094 -0.072 0.000 1.080 125 V CA 1.917 64.189 62.300 -0.046 0.000 1.102 125 V CB 0.011 31.812 31.823 -0.037 0.000 0.705 125 V HN 0.509 nan 8.190 nan 0.000 0.475 126 D N 1.484 121.844 120.400 -0.067 0.000 2.339 126 D HA 0.348 4.990 4.640 0.004 0.000 0.241 126 D C -0.402 175.819 176.300 -0.133 0.000 1.183 126 D CA 0.037 53.985 54.000 -0.087 0.000 0.859 126 D CB -0.004 40.761 40.800 -0.058 0.000 1.067 126 D HN 0.780 nan 8.370 nan 0.000 0.484 127 N N 1.127 119.701 118.700 -0.209 0.000 3.322 127 N HA 0.291 5.034 4.740 0.004 0.000 0.233 127 N C -2.751 172.499 175.510 -0.434 0.000 1.399 127 N CA -1.080 51.748 53.050 -0.370 0.000 0.894 127 N CB 0.854 39.116 38.487 -0.375 0.000 1.440 127 N HN -0.100 nan 8.380 nan 0.000 0.503 128 P HA 0.055 nan 4.420 nan 0.000 0.228 128 P C 0.173 177.314 177.300 -0.265 0.000 1.151 128 P CA 0.657 63.542 63.100 -0.358 0.000 0.770 128 P CB 0.201 31.698 31.700 -0.338 0.000 0.786 129 L N -2.057 118.979 121.223 -0.311 0.000 2.808 129 L HA 0.228 4.570 4.340 0.004 0.000 0.246 129 L C 0.256 176.915 176.870 -0.351 0.000 1.153 129 L CA 0.605 55.325 54.840 -0.199 0.000 0.956 129 L CB -0.744 41.308 42.059 -0.012 0.000 1.270 129 L HN -0.217 nan 8.230 nan 0.000 0.528 130 T N 0.422 114.646 114.554 -0.550 0.000 2.812 130 T HA 0.646 4.998 4.350 0.004 0.000 0.282 130 T C -0.687 173.657 174.700 -0.594 0.000 0.990 130 T CA -0.392 61.450 62.100 -0.429 0.000 0.960 130 T CB 1.607 70.339 68.868 -0.226 0.000 0.948 130 T HN 0.028 nan 8.240 nan 0.000 0.438 131 H N 0.441 119.491 119.070 -0.034 0.000 2.996 131 H HA 0.567 5.125 4.556 0.004 0.000 0.368 131 H C -0.721 174.590 175.328 -0.028 0.000 1.185 131 H CA -0.649 55.381 56.048 -0.029 0.000 1.160 131 H CB 2.121 31.869 29.762 -0.023 0.000 1.820 131 H HN 0.467 nan 8.280 nan 0.000 0.547 132 S N 0.798 116.567 115.700 0.115 0.000 2.704 132 S HA 0.508 4.980 4.470 0.004 0.000 0.305 132 S C -0.805 173.822 174.600 0.044 0.000 1.107 132 S CA -0.673 57.558 58.200 0.051 0.000 0.993 132 S CB 1.599 64.814 63.200 0.026 0.000 1.110 132 S HN 0.374 nan 8.310 nan 0.000 0.534 133 L N 2.426 123.661 121.223 0.019 0.000 2.342 133 L HA 0.602 4.944 4.340 0.004 0.000 0.276 133 L C 0.343 177.234 176.870 0.036 0.000 0.997 133 L CA 0.100 54.951 54.840 0.018 0.000 0.838 133 L CB 1.055 43.114 42.059 0.000 0.000 1.224 133 L HN 0.756 nan 8.230 nan 0.000 0.416 134 R N 2.397 122.931 120.500 0.057 0.000 2.383 134 R HA 0.312 4.654 4.340 0.004 0.000 0.205 134 R C -0.327 176.075 176.300 0.170 0.000 0.875 134 R CA 0.516 56.677 56.100 0.102 0.000 1.039 134 R CB 0.507 30.864 30.300 0.094 0.000 1.267 134 R HN 0.841 nan 8.270 nan 0.000 0.635 135 N N -1.716 117.043 118.700 0.098 0.000 3.418 135 N HA 0.161 4.903 4.740 0.004 0.000 0.316 135 N C 0.481 175.935 175.510 -0.093 0.000 1.601 135 N CA -0.695 52.373 53.050 0.030 0.000 0.805 135 N CB 0.118 38.576 38.487 -0.048 0.000 1.873 135 N HN -0.147 nan 8.380 nan 0.000 0.615 136 I N -0.329 120.065 120.570 -0.293 0.000 2.202 136 I HA -0.039 4.134 4.170 0.004 0.000 0.242 136 I C -0.919 175.145 176.117 -0.088 0.000 1.091 136 I CA 1.075 62.246 61.300 -0.216 0.000 1.368 136 I CB -0.976 36.799 38.000 -0.375 0.000 1.058 136 I HN 0.451 nan 8.210 nan 0.000 0.410 137 P HA -0.098 nan 4.420 nan 0.000 0.216 137 P C 0.269 177.544 177.300 -0.041 0.000 1.150 137 P CA 1.243 64.329 63.100 -0.023 0.000 0.837 137 P CB -0.123 31.570 31.700 -0.012 0.000 0.786 141 R N 1.229 121.646 120.500 -0.138 0.000 2.081 141 R HA 0.034 4.377 4.340 0.004 0.000 0.235 141 R C 2.255 178.305 176.300 -0.416 0.000 1.131 141 R CA 1.263 57.217 56.100 -0.242 0.000 0.960 141 R CB -0.186 29.940 30.300 -0.290 0.000 0.856 141 R HN 0.115 nan 8.270 nan 0.000 0.436 142 I N 0.391 120.705 120.570 -0.426 0.000 2.142 142 I HA -0.302 3.871 4.170 0.004 0.000 0.240 142 I C 1.915 177.962 176.117 -0.117 0.000 1.078 142 I CA 0.866 61.987 61.300 -0.299 0.000 1.343 142 I CB -0.272 37.633 38.000 -0.159 0.000 1.046 142 I HN 0.173 nan 8.210 nan 0.000 0.405 143 L N 0.204 121.377 121.223 -0.083 0.000 2.012 143 L HA -0.277 4.065 4.340 0.004 0.000 0.210 143 L C 2.550 179.407 176.870 -0.022 0.000 1.073 143 L CA 1.797 56.615 54.840 -0.037 0.000 0.748 143 L CB -1.242 40.804 42.059 -0.022 0.000 0.891 143 L HN 0.344 nan 8.230 nan 0.000 0.431 144 Q N -1.303 118.477 119.800 -0.032 0.000 2.096 144 Q HA -0.208 4.134 4.340 0.004 0.000 0.204 144 Q C 1.998 178.012 176.000 0.025 0.000 0.982 144 Q CA 2.247 58.048 55.803 -0.004 0.000 0.850 144 Q CB 0.031 28.766 28.738 -0.005 0.000 0.901 144 Q HN 0.480 nan 8.270 nan 0.000 0.422 145 T N 0.890 115.463 114.554 0.032 0.000 2.788 145 T HA -0.117 4.235 4.350 0.004 0.000 0.268 145 T C 1.702 176.453 174.700 0.086 0.000 1.044 145 T CA 1.126 63.284 62.100 0.098 0.000 1.139 145 T CB -0.127 68.865 68.868 0.207 0.000 0.867 145 T HN 0.275 nan 8.240 nan 0.000 0.454 146 I N 0.446 121.050 120.570 0.056 0.000 2.226 146 I HA -0.117 4.056 4.170 0.004 0.000 0.245 146 I C 1.571 177.725 176.117 0.061 0.000 1.100 146 I CA 1.021 62.356 61.300 0.057 0.000 1.374 146 I CB -0.278 37.741 38.000 0.032 0.000 1.057 146 I HN 0.348 nan 8.210 nan 0.000 0.413 150 N N 0.299 119.111 118.700 0.186 0.000 2.696 150 N HA -0.172 4.571 4.740 0.004 0.000 0.256 150 N C -1.325 174.357 175.510 0.287 0.000 1.031 150 N CA 0.747 53.903 53.050 0.176 0.000 0.730 150 N CB -1.338 37.192 38.487 0.072 0.000 0.894 150 N HN 0.086 nan 8.380 nan 0.000 0.544 151 V N 1.168 121.199 119.914 0.195 0.000 2.529 151 V HA 0.025 4.147 4.120 0.004 0.000 0.292 151 V C 1.449 177.639 176.094 0.161 0.000 1.028 151 V CA 0.746 63.140 62.300 0.157 0.000 1.074 151 V CB 1.110 32.983 31.823 0.084 0.000 0.958 151 V HN 0.494 nan 8.190 nan 0.000 0.481 152 E N 1.906 122.219 120.200 0.188 0.000 2.441 152 E HA 0.147 4.499 4.350 0.004 0.000 0.212 152 E C 0.243 176.929 176.600 0.144 0.000 0.840 152 E CA -0.091 56.420 56.400 0.184 0.000 1.143 152 E CB 0.778 30.640 29.700 0.270 0.000 1.153 152 E HN 0.725 nan 8.360 nan 0.000 0.539 153 H N 0.238 119.329 119.070 0.035 0.000 2.667 153 H HA 0.663 5.221 4.556 0.003 0.000 0.353 153 H C -1.709 173.614 175.328 -0.007 0.000 1.072 153 H CA -0.484 55.573 56.048 0.014 0.000 1.214 153 H CB 1.720 31.484 29.762 0.005 0.000 1.600 153 H HN 0.076 nan 8.280 nan 0.000 0.527 154 A N 3.536 126.040 122.820 -0.527 0.000 2.401 154 A HA 0.598 4.920 4.320 0.004 0.000 0.310 154 A C -0.701 176.719 177.584 -0.273 0.000 1.075 154 A CA -0.672 51.223 52.037 -0.236 0.000 0.746 154 A CB 1.516 20.451 19.000 -0.109 0.000 1.277 154 A HN 0.640 nan 8.150 nan 0.000 0.425 155 T N 1.256 115.786 114.554 -0.041 0.000 2.807 155 T HA 0.541 4.894 4.350 0.004 0.000 0.279 155 T C -0.594 174.102 174.700 -0.007 0.000 0.993 155 T CA -0.303 61.802 62.100 0.008 0.000 0.970 155 T CB 1.278 70.188 68.868 0.070 0.000 0.950 155 T HN 0.483 nan 8.240 nan 0.000 0.441 156 V N 3.747 123.656 119.914 -0.008 0.000 2.398 156 V HA 0.437 4.559 4.120 0.004 0.000 0.286 156 V C -0.119 175.969 176.094 -0.011 0.000 1.026 156 V CA -0.766 61.527 62.300 -0.013 0.000 0.868 156 V CB 1.666 33.478 31.823 -0.017 0.000 0.982 156 V HN 0.698 nan 8.190 nan 0.000 0.443 157 V N 3.988 123.891 119.914 -0.019 0.000 2.347 157 V HA 0.927 5.050 4.120 0.004 0.000 0.280 157 V C 0.521 176.596 176.094 -0.032 0.000 1.021 157 V CA 0.261 62.549 62.300 -0.020 0.000 0.847 157 V CB 0.739 32.550 31.823 -0.020 0.000 0.990 157 V HN 1.281 nan 8.190 nan 0.000 0.444 158 G N 3.339 112.121 108.800 -0.031 0.000 2.653 158 G HA2 0.325 4.287 3.960 0.004 0.000 0.656 158 G HA3 0.325 4.287 3.960 0.004 0.000 0.656 158 G C 0.018 174.894 174.900 -0.040 0.000 1.419 158 G CA -0.387 44.688 45.100 -0.041 0.000 0.862 158 G HN 1.107 nan 8.290 nan 0.000 0.639 159 G N 0.137 108.921 108.800 -0.026 0.000 3.805 159 G HA2 0.656 4.619 3.960 0.004 0.000 0.290 159 G HA3 0.656 4.619 3.960 0.004 0.000 0.290 159 G C 0.851 175.749 174.900 -0.002 0.000 1.077 159 G CA 1.021 46.120 45.100 -0.001 0.000 0.852 159 G HN 1.274 nan 8.290 nan 0.000 0.531 160 G N 0.061 108.827 108.800 -0.056 0.000 2.535 160 G HA2 0.390 4.353 3.960 0.004 0.000 0.282 160 G HA3 0.390 4.353 3.960 0.004 0.000 0.282 160 G C 0.904 175.734 174.900 -0.117 0.000 1.350 160 G CA -0.332 44.724 45.100 -0.073 0.000 1.039 160 G HN 0.264 nan 8.290 nan 0.000 0.509 161 F N -0.894 119.056 119.950 0.000 0.000 2.146 161 F HA 0.014 4.543 4.527 0.004 0.000 0.298 161 F C 2.235 178.019 175.800 -0.027 0.000 1.096 161 F CA 0.983 58.978 58.000 -0.009 0.000 1.275 161 F CB -0.613 38.388 39.000 0.002 0.000 1.008 161 F HN 0.188 nan 8.300 nan 0.000 0.480 162 I N 1.487 121.600 120.570 -0.762 0.000 2.163 162 I HA -0.200 3.973 4.170 0.004 0.000 0.243 162 I C 2.902 178.897 176.117 -0.203 0.000 1.085 162 I CA 1.617 62.689 61.300 -0.381 0.000 1.347 162 I CB -1.517 36.232 38.000 -0.419 0.000 1.044 162 I HN 0.400 nan 8.210 nan 0.000 0.408 163 G N 1.357 110.039 108.800 -0.197 0.000 2.418 163 G HA2 -0.174 3.789 3.960 0.004 0.000 0.217 163 G HA3 -0.174 3.789 3.960 0.004 0.000 0.217 163 G C 1.736 176.589 174.900 -0.078 0.000 1.158 163 G CA 0.483 45.516 45.100 -0.112 0.000 0.771 163 G HN 0.269 nan 8.290 nan 0.000 0.545 164 L N 0.278 121.463 121.223 -0.063 0.000 2.079 164 L HA 0.005 4.347 4.340 0.004 0.000 0.210 164 L C 1.813 178.612 176.870 -0.119 0.000 1.081 164 L CA 0.652 55.455 54.840 -0.062 0.000 0.752 164 L CB -0.515 41.533 42.059 -0.018 0.000 0.896 164 L HN 0.303 nan 8.230 nan 0.000 0.433 169 S N 1.271 116.957 115.700 -0.024 0.000 2.359 169 S HA -0.119 4.354 4.470 0.004 0.000 0.224 169 S C 1.834 176.498 174.600 0.108 0.000 1.035 169 S CA 1.654 59.869 58.200 0.024 0.000 1.018 169 S CB -0.242 62.916 63.200 -0.070 0.000 0.876 169 S HN 0.296 nan 8.310 nan 0.000 0.448 170 L N 0.247 121.517 121.223 0.079 0.000 2.056 170 L HA -0.113 4.229 4.340 0.004 0.000 0.207 170 L C 2.464 179.406 176.870 0.121 0.000 1.078 170 L CA 1.604 56.488 54.840 0.073 0.000 0.749 170 L CB -0.670 41.411 42.059 0.036 0.000 0.901 170 L HN 0.383 nan 8.230 nan 0.000 0.433 171 H N -0.716 118.426 119.070 0.120 0.000 2.352 171 H HA -0.274 4.283 4.556 0.003 0.000 0.299 171 H C 2.327 177.751 175.328 0.161 0.000 1.097 171 H CA 2.172 58.321 56.048 0.168 0.000 1.311 171 H CB -0.049 29.918 29.762 0.342 0.000 1.377 171 H HN 0.324 nan 8.280 nan 0.000 0.504 172 H N -0.267 118.907 119.070 0.174 0.000 2.387 172 H HA -0.083 4.476 4.556 0.006 0.000 0.299 172 H C 1.790 177.121 175.328 0.006 0.000 1.099 172 H CA 1.840 57.949 56.048 0.103 0.000 1.315 172 H CB -0.151 29.682 29.762 0.119 0.000 1.380 172 H HN 0.393 nan 8.280 nan 0.000 0.513 173 L N -0.974 120.292 121.223 0.073 0.000 2.610 173 L HA 0.138 4.480 4.340 0.004 0.000 0.232 173 L C 1.671 178.507 176.870 -0.057 0.000 1.149 173 L CA 0.573 55.418 54.840 0.009 0.000 0.872 173 L CB 0.115 42.198 42.059 0.040 0.000 0.992 173 L HN 0.610 nan 8.230 nan 0.000 0.447 174 G N 0.427 109.149 108.800 -0.129 0.000 2.141 174 G HA2 -0.259 3.704 3.960 0.004 0.000 0.242 174 G HA3 -0.259 3.704 3.960 0.004 0.000 0.242 174 G C 0.203 175.057 174.900 -0.076 0.000 0.982 174 G CA -0.381 44.634 45.100 -0.141 0.000 0.662 174 G HN 0.269 nan 8.290 nan 0.000 0.527 175 I N 1.560 122.100 120.570 -0.050 0.000 2.416 175 I HA 0.185 4.358 4.170 0.004 0.000 0.288 175 I C 0.802 176.904 176.117 -0.026 0.000 1.051 175 I CA -0.619 60.670 61.300 -0.018 0.000 1.375 175 I CB 0.997 38.992 38.000 -0.008 0.000 1.407 175 I HN -0.037 nan 8.210 nan 0.000 0.516 176 K N 3.914 124.304 120.400 -0.016 0.000 2.379 176 K HA 0.286 4.608 4.320 0.004 0.000 0.284 176 K C 0.109 176.596 176.600 -0.189 0.000 1.044 176 K CA -0.569 55.718 56.287 0.001 0.000 0.974 176 K CB 0.441 33.010 32.500 0.115 0.000 0.962 176 K HN 0.821 nan 8.250 nan 0.000 0.474 177 T N -1.166 113.331 114.554 -0.094 0.000 2.893 177 T HA 0.548 4.901 4.350 0.004 0.000 0.291 177 T C -0.227 174.443 174.700 -0.050 0.000 1.028 177 T CA -0.795 61.200 62.100 -0.176 0.000 0.995 177 T CB 1.831 70.698 68.868 -0.003 0.000 1.051 177 T HN 0.374 nan 8.240 nan 0.000 0.470 178 T N 2.615 117.144 114.554 -0.042 0.000 2.812 178 T HA 0.550 4.902 4.350 0.004 0.000 0.282 178 T C -0.790 173.935 174.700 0.041 0.000 0.990 178 T CA -0.593 61.554 62.100 0.079 0.000 0.960 178 T CB 1.046 70.031 68.868 0.194 0.000 0.948 178 T HN 0.667 nan 8.240 nan 0.000 0.438 179 L N 4.933 126.180 121.223 0.040 0.000 2.287 179 L HA 0.611 4.953 4.340 0.004 0.000 0.287 179 L C -1.205 175.673 176.870 0.012 0.000 1.022 179 L CA -0.679 54.176 54.840 0.024 0.000 0.814 179 L CB 0.475 42.553 42.059 0.032 0.000 1.217 179 L HN 0.556 nan 8.230 nan 0.000 0.420 180 L N 4.514 125.740 121.223 0.004 0.000 2.296 180 L HA 0.631 4.974 4.340 0.004 0.000 0.286 180 L C -0.615 176.247 176.870 -0.013 0.000 1.023 180 L CA -0.567 54.270 54.840 -0.005 0.000 0.812 180 L CB 1.656 43.713 42.059 -0.003 0.000 1.223 180 L HN 0.500 nan 8.230 nan 0.000 0.421 181 E N 2.237 122.425 120.200 -0.020 0.000 2.272 181 E HA 0.267 4.619 4.350 0.004 0.000 0.269 181 E C -0.397 176.191 176.600 -0.021 0.000 0.877 181 E CA -0.652 55.737 56.400 -0.019 0.000 0.755 181 E CB 2.028 31.719 29.700 -0.015 0.000 1.192 181 E HN 0.399 nan 8.360 nan 0.000 0.422 182 L N 3.519 124.732 121.223 -0.015 0.000 2.162 182 L HA 0.478 4.821 4.340 0.004 0.000 0.205 182 L C 0.839 177.702 176.870 -0.011 0.000 1.086 182 L CA 1.668 56.500 54.840 -0.014 0.000 0.778 182 L CB -0.716 41.336 42.059 -0.011 0.000 0.928 182 L HN 0.628 nan 8.230 nan 0.000 0.446 183 A N 0.215 123.032 122.820 -0.006 0.000 2.433 183 A HA 0.060 4.383 4.320 0.004 0.000 0.250 183 A C 0.750 178.331 177.584 -0.004 0.000 1.113 183 A CA 0.435 52.473 52.037 0.002 0.000 0.794 183 A CB -0.281 18.728 19.000 0.016 0.000 1.067 183 A HN 0.578 nan 8.150 nan 0.000 0.510 184 D N -1.457 118.947 120.400 0.008 0.000 2.319 184 D HA 0.137 4.780 4.640 0.004 0.000 0.230 184 D C 0.258 176.571 176.300 0.021 0.000 1.094 184 D CA 0.468 54.467 54.000 -0.001 0.000 0.856 184 D CB -0.259 40.548 40.800 0.011 0.000 0.915 184 D HN 0.648 nan 8.370 nan 0.000 0.517 185 Q N -1.052 118.781 119.800 0.055 0.000 2.472 185 Q HA 0.454 4.796 4.340 0.004 0.000 0.281 185 Q C -0.474 175.630 176.000 0.172 0.000 0.997 185 Q CA -1.255 54.664 55.803 0.194 0.000 0.828 185 Q CB 1.700 30.577 28.738 0.231 0.000 1.443 185 Q HN -0.037 nan 8.270 nan 0.000 0.390 189 P HA 0.138 nan 4.420 nan 0.000 0.218 189 P C 0.943 178.246 177.300 0.006 0.000 1.149 189 P CA 1.195 64.309 63.100 0.024 0.000 0.817 189 P CB -0.141 31.580 31.700 0.035 0.000 0.785 190 V N -3.360 116.563 119.914 0.014 0.000 2.997 190 V HA 0.373 4.496 4.120 0.004 0.000 0.311 190 V C 0.153 176.255 176.094 0.014 0.000 1.066 190 V CA -0.897 61.406 62.300 0.005 0.000 1.039 190 V CB 0.743 32.574 31.823 0.012 0.000 1.081 190 V HN -0.224 nan 8.190 nan 0.000 0.467 191 D N 0.848 121.259 120.400 0.019 0.000 2.354 191 D HA 0.259 4.902 4.640 0.004 0.000 0.247 191 D C 1.042 177.368 176.300 0.044 0.000 1.138 191 D CA -0.321 53.703 54.000 0.039 0.000 0.958 191 D CB 1.186 42.021 40.800 0.058 0.000 1.144 191 D HN 0.669 nan 8.370 nan 0.000 0.458 192 R N 0.328 120.861 120.500 0.056 0.000 2.127 192 R HA -0.115 4.227 4.340 0.004 0.000 0.238 192 R C 0.924 177.206 176.300 -0.030 0.000 1.134 192 R CA 1.102 57.229 56.100 0.045 0.000 0.975 192 R CB 0.163 30.506 30.300 0.073 0.000 0.865 192 R HN 0.572 nan 8.270 nan 0.000 0.447 196 G N 0.091 108.606 108.800 -0.474 0.000 2.475 196 G HA2 -0.128 3.835 3.960 0.004 0.000 0.220 196 G HA3 -0.128 3.835 3.960 0.004 0.000 0.220 196 G C 1.308 176.103 174.900 -0.175 0.000 1.125 196 G CA 1.654 46.559 45.100 -0.326 0.000 0.755 196 G HN 0.459 nan 8.290 nan 0.000 0.565 197 F N 1.570 121.478 119.950 -0.071 0.000 2.102 197 F HA 0.009 4.538 4.527 0.003 0.000 0.298 197 F C 3.072 178.845 175.800 -0.046 0.000 1.105 197 F CA 1.035 58.954 58.000 -0.135 0.000 1.239 197 F CB -0.340 38.480 39.000 -0.299 0.000 0.991 197 F HN 0.229 nan 8.300 nan 0.000 0.474 198 A N -0.578 122.290 122.820 0.080 0.000 1.969 198 A HA -0.167 4.155 4.320 0.004 0.000 0.218 198 A C 1.771 179.440 177.584 0.141 0.000 1.169 198 A CA 1.519 53.610 52.037 0.090 0.000 0.635 198 A CB -1.304 17.729 19.000 0.055 0.000 0.810 198 A HN 0.545 nan 8.150 nan 0.000 0.445 199 H N -1.190 117.944 119.070 0.107 0.000 2.387 199 H HA -0.159 4.399 4.556 0.004 0.000 0.299 199 H C 2.268 177.643 175.328 0.079 0.000 1.099 199 H CA 1.390 57.483 56.048 0.076 0.000 1.315 199 H CB 0.057 29.839 29.762 0.034 0.000 1.380 199 H HN 0.619 nan 8.280 nan 0.000 0.513 200 Q N 0.732 120.661 119.800 0.216 0.000 2.123 200 Q HA -0.105 4.237 4.340 0.004 0.000 0.199 200 Q C 2.509 178.588 176.000 0.132 0.000 0.966 200 Q CA 0.892 56.795 55.803 0.165 0.000 0.845 200 Q CB -0.016 28.860 28.738 0.230 0.000 0.907 200 Q HN 0.483 nan 8.270 nan 0.000 0.439 201 A N 0.841 123.754 122.820 0.156 0.000 1.902 201 A HA -0.178 4.144 4.320 0.004 0.000 0.217 201 A C 1.961 179.583 177.584 0.063 0.000 1.181 201 A CA 1.235 53.342 52.037 0.116 0.000 0.623 201 A CB -0.632 18.473 19.000 0.176 0.000 0.818 201 A HN 0.452 nan 8.150 nan 0.000 0.443 202 I N -1.028 119.636 120.570 0.156 0.000 2.179 202 I HA -0.265 3.907 4.170 0.004 0.000 0.242 202 I C 2.789 178.904 176.117 -0.003 0.000 1.088 202 I CA 1.437 62.828 61.300 0.152 0.000 1.357 202 I CB -0.264 37.875 38.000 0.231 0.000 1.051 202 I HN 0.276 nan 8.210 nan 0.000 0.409 203 R N 0.473 120.992 120.500 0.032 0.000 2.115 203 R HA -0.141 4.202 4.340 0.004 0.000 0.230 203 R C 1.585 177.858 176.300 -0.046 0.000 1.111 203 R CA 1.270 57.369 56.100 -0.002 0.000 0.976 203 R CB -0.276 30.035 30.300 0.020 0.000 0.870 203 R HN 0.331 nan 8.270 nan 0.000 0.445 204 D N 0.439 120.805 120.400 -0.056 0.000 2.350 204 D HA -0.105 4.538 4.640 0.004 0.000 0.216 204 D C 1.378 177.576 176.300 -0.169 0.000 0.968 204 D CA 0.828 54.781 54.000 -0.079 0.000 0.894 204 D CB 0.068 40.837 40.800 -0.051 0.000 0.909 204 D HN 0.134 nan 8.370 nan 0.000 0.520 205 Q N -0.546 119.059 119.800 -0.326 0.000 2.403 205 Q HA 0.170 4.513 4.340 0.004 0.000 0.203 205 Q C 1.327 177.185 176.000 -0.236 0.000 0.932 205 Q CA 0.441 55.935 55.803 -0.515 0.000 0.945 205 Q CB 0.697 28.602 28.738 -1.390 0.000 1.045 205 Q HN 0.341 nan 8.270 nan 0.000 0.511 206 G N 0.240 108.976 108.800 -0.108 0.000 2.157 206 G HA2 -0.247 3.715 3.960 0.004 0.000 0.248 206 G HA3 -0.247 3.715 3.960 0.004 0.000 0.248 206 G C 0.208 175.128 174.900 0.033 0.000 0.979 206 G CA 0.223 45.321 45.100 -0.002 0.000 0.650 206 G HN 0.225 nan 8.290 nan 0.000 0.529 207 V N 1.304 121.218 119.914 -0.000 0.000 2.614 207 V HA 0.379 4.502 4.120 0.004 0.000 0.291 207 V C 0.638 176.765 176.094 0.054 0.000 1.049 207 V CA 0.147 62.484 62.300 0.062 0.000 1.038 207 V CB 1.655 33.532 31.823 0.090 0.000 0.980 207 V HN 0.404 nan 8.190 nan 0.000 0.481 208 D N 5.098 125.541 120.400 0.071 0.000 2.402 208 D HA 0.150 4.793 4.640 0.004 0.000 0.235 208 D C -0.449 175.879 176.300 0.047 0.000 1.226 208 D CA -0.004 54.032 54.000 0.061 0.000 0.918 208 D CB 0.377 41.233 40.800 0.092 0.000 1.043 208 D HN 0.427 nan 8.370 nan 0.000 0.506 209 L N 4.972 126.210 121.223 0.025 0.000 2.257 209 L HA 0.425 4.767 4.340 0.004 0.000 0.290 209 L C -0.066 176.789 176.870 -0.025 0.000 1.044 209 L CA -0.623 54.219 54.840 0.004 0.000 0.810 209 L CB 0.474 42.529 42.059 -0.006 0.000 1.193 209 L HN 0.310 nan 8.230 nan 0.000 0.425 210 R N 5.225 125.710 120.500 -0.025 0.000 2.358 210 R HA 0.406 4.748 4.340 0.004 0.000 0.309 210 R C -1.154 175.114 176.300 -0.052 0.000 1.026 210 R CA -0.979 55.101 56.100 -0.034 0.000 0.909 210 R CB 1.591 31.883 30.300 -0.013 0.000 1.153 210 R HN 0.365 nan 8.270 nan 0.000 0.515 211 L N 0.754 121.927 121.223 -0.084 0.000 2.421 211 L HA 0.405 4.747 4.340 0.004 0.000 0.263 211 L C 1.410 178.244 176.870 -0.059 0.000 1.122 211 L CA 0.505 55.288 54.840 -0.095 0.000 0.804 211 L CB 0.978 42.937 42.059 -0.168 0.000 1.150 211 L HN 0.908 nan 8.230 nan 0.000 0.457 212 G N 1.440 110.214 108.800 -0.044 0.000 2.273 212 G HA2 -0.234 3.728 3.960 0.004 0.000 0.280 212 G HA3 -0.234 3.728 3.960 0.004 0.000 0.280 212 G C 0.159 175.045 174.900 -0.024 0.000 1.047 212 G CA 0.524 45.606 45.100 -0.029 0.000 0.869 212 G HN 0.657 nan 8.290 nan 0.000 0.502 213 T N -0.291 114.249 114.554 -0.023 0.000 2.928 213 T HA 0.763 5.116 4.350 0.004 0.000 0.296 213 T C 0.101 174.792 174.700 -0.015 0.000 1.000 213 T CA 0.329 62.418 62.100 -0.018 0.000 0.989 213 T CB 1.961 70.818 68.868 -0.019 0.000 1.005 213 T HN 1.431 nan 8.240 nan 0.000 0.442 214 A N 2.447 125.260 122.820 -0.013 0.000 2.354 214 A HA 0.888 5.210 4.320 0.004 0.000 0.321 214 A C -1.050 176.528 177.584 -0.010 0.000 1.125 214 A CA -0.781 51.249 52.037 -0.012 0.000 0.799 214 A CB 1.107 20.100 19.000 -0.011 0.000 1.293 214 A HN 0.730 nan 8.150 nan 0.000 0.452 215 L N 1.587 122.804 121.223 -0.011 0.000 2.265 215 L HA 0.540 4.883 4.340 0.004 0.000 0.289 215 L C 0.683 177.547 176.870 -0.010 0.000 1.033 215 L CA 0.536 55.370 54.840 -0.010 0.000 0.814 215 L CB 1.232 43.284 42.059 -0.012 0.000 1.203 215 L HN 0.585 nan 8.230 nan 0.000 0.423 216 S N 3.130 118.824 115.700 -0.009 0.000 2.468 216 S HA 0.288 4.760 4.470 0.004 0.000 0.226 216 S C -0.147 174.449 174.600 -0.007 0.000 1.051 216 S CA 0.274 58.470 58.200 -0.008 0.000 0.943 216 S CB 0.119 63.315 63.200 -0.007 0.000 0.810 216 S HN 0.753 nan 8.310 nan 0.000 0.509 217 E N 0.102 120.299 120.200 -0.006 0.000 2.392 217 E HA 0.492 4.845 4.350 0.004 0.000 0.279 217 E C -1.801 174.797 176.600 -0.003 0.000 0.964 217 E CA -0.538 55.860 56.400 -0.003 0.000 0.777 217 E CB 2.500 32.200 29.700 -0.000 0.000 1.249 217 E HN -0.114 nan 8.360 nan 0.000 0.449 218 V N 1.389 121.303 119.914 0.000 0.000 2.444 218 V HA 0.334 4.457 4.120 0.004 0.000 0.294 218 V C -0.457 175.652 176.094 0.024 0.000 1.022 218 V CA -0.627 61.676 62.300 0.004 0.000 0.850 218 V CB 1.710 33.531 31.823 -0.004 0.000 0.992 218 V HN 0.606 nan 8.190 nan 0.000 0.426 219 S N 4.638 120.356 115.700 0.030 0.000 2.448 219 S HA 0.481 4.953 4.470 0.004 0.000 0.320 219 S C -0.957 173.694 174.600 0.086 0.000 1.071 219 S CA -0.430 57.801 58.200 0.050 0.000 1.113 219 S CB 0.101 63.320 63.200 0.032 0.000 0.972 219 S HN 0.628 nan 8.310 nan 0.000 0.465 220 Y N 4.918 125.211 120.300 -0.011 0.000 2.336 220 Y HA 0.468 5.020 4.550 0.004 0.000 0.335 220 Y C -0.270 175.645 175.900 0.025 0.000 1.046 220 Y CA -0.251 57.846 58.100 -0.005 0.000 1.198 220 Y CB 0.706 39.156 38.460 -0.016 0.000 1.182 220 Y HN 0.606 nan 8.280 nan 0.000 0.502 221 Q N 5.626 125.084 119.800 -0.569 0.000 2.339 221 Q HA 0.409 4.751 4.340 0.004 0.000 0.268 221 Q C -0.932 174.678 176.000 -0.649 0.000 1.027 221 Q CA -0.958 54.572 55.803 -0.455 0.000 0.759 221 Q CB 2.370 31.021 28.738 -0.145 0.000 1.244 221 Q HN 0.684 nan 8.270 nan 0.000 0.464 222 V N 2.506 122.067 119.914 -0.589 0.000 2.788 222 V HA -0.075 4.048 4.120 0.004 0.000 0.307 222 V C -0.106 175.908 176.094 -0.135 0.000 1.069 222 V CA 0.348 62.459 62.300 -0.315 0.000 1.173 222 V CB 1.305 33.078 31.823 -0.084 0.000 0.925 222 V HN 0.763 nan 8.190 nan 0.000 0.492 223 Q N 3.917 123.690 119.800 -0.046 0.000 2.295 223 Q HA 0.266 4.608 4.340 0.004 0.000 0.259 223 Q C 0.710 176.724 176.000 0.022 0.000 0.976 223 Q CA 0.783 56.590 55.803 0.007 0.000 0.923 223 Q CB 1.360 30.127 28.738 0.049 0.000 1.185 223 Q HN 0.960 nan 8.270 nan 0.000 0.410 224 T N 0.288 114.865 114.554 0.039 0.000 3.069 224 T HA 0.151 4.504 4.350 0.004 0.000 0.252 224 T C -0.145 174.610 174.700 0.092 0.000 1.053 224 T CA 0.167 62.297 62.100 0.049 0.000 0.964 224 T CB -0.135 68.755 68.868 0.037 0.000 1.005 224 T HN 0.634 nan 8.240 nan 0.000 0.532 225 H N 0.531 119.599 119.070 -0.004 0.000 2.727 225 H HA 0.621 5.179 4.556 0.004 0.000 0.330 225 H C -1.580 173.748 175.328 -0.001 0.000 0.986 225 H CA -0.705 55.340 56.048 -0.004 0.000 1.251 225 H CB 1.466 31.222 29.762 -0.009 0.000 1.493 225 H HN 0.010 nan 8.280 nan 0.000 0.515 226 V N 5.199 124.860 119.914 -0.421 0.000 2.348 226 V HA 0.522 4.645 4.120 0.004 0.000 0.270 226 V C 0.566 176.368 176.094 -0.488 0.000 1.037 226 V CA -0.137 61.969 62.300 -0.323 0.000 0.872 226 V CB 0.521 32.251 31.823 -0.155 0.000 1.002 226 V HN 1.030 nan 8.190 nan 0.000 0.464 227 A N 4.843 127.458 122.820 -0.342 0.000 2.386 227 A HA 0.724 5.047 4.320 0.004 0.000 0.248 227 A C 0.421 177.931 177.584 -0.123 0.000 1.082 227 A CA 0.134 52.049 52.037 -0.204 0.000 0.789 227 A CB 0.609 19.585 19.000 -0.040 0.000 1.025 227 A HN 1.136 nan 8.150 nan 0.000 0.490 228 S N 0.271 115.929 115.700 -0.070 0.000 2.540 228 S HA 0.394 4.866 4.470 0.004 0.000 0.275 228 S C -0.104 174.479 174.600 -0.028 0.000 1.123 228 S CA -0.601 57.568 58.200 -0.052 0.000 0.907 228 S CB 1.527 64.694 63.200 -0.055 0.000 1.081 228 S HN 0.569 nan 8.310 nan 0.000 0.476 229 D N 2.404 122.787 120.400 -0.028 0.000 2.158 229 D HA -0.099 4.544 4.640 0.004 0.000 0.197 229 D C 2.067 178.359 176.300 -0.013 0.000 0.995 229 D CA 1.819 55.807 54.000 -0.019 0.000 0.846 229 D CB -0.485 40.302 40.800 -0.021 0.000 0.941 229 D HN 0.772 nan 8.370 nan 0.000 0.456 230 A N 0.614 123.425 122.820 -0.014 0.000 2.121 230 A HA 0.087 4.410 4.320 0.004 0.000 0.218 230 A C 2.059 179.642 177.584 -0.002 0.000 1.154 230 A CA 1.538 53.570 52.037 -0.008 0.000 0.679 230 A CB -0.119 18.875 19.000 -0.009 0.000 0.795 230 A HN 0.227 nan 8.150 nan 0.000 0.458 231 A N -1.811 121.010 122.820 0.000 0.000 2.430 231 A HA 0.466 4.788 4.320 0.004 0.000 0.243 231 A C 1.512 179.105 177.584 0.015 0.000 1.254 231 A CA 0.873 52.917 52.037 0.012 0.000 0.914 231 A CB -0.745 18.270 19.000 0.024 0.000 0.998 231 A HN 1.765 nan 8.150 nan 0.000 0.515 232 G N 0.270 109.074 108.800 0.007 0.000 2.246 232 G HA2 -0.239 3.724 3.960 0.004 0.000 0.273 232 G HA3 -0.239 3.724 3.960 0.004 0.000 0.273 232 G C -0.245 174.662 174.900 0.011 0.000 1.055 232 G CA 0.582 45.686 45.100 0.006 0.000 0.851 232 G HN 0.668 nan 8.290 nan 0.000 0.500 233 E N -0.263 119.946 120.200 0.014 0.000 2.222 233 E HA 0.435 4.788 4.350 0.004 0.000 0.267 233 E C -0.556 176.048 176.600 0.005 0.000 0.963 233 E CA -1.042 55.371 56.400 0.023 0.000 0.837 233 E CB 1.192 30.921 29.700 0.050 0.000 1.183 233 E HN 0.110 nan 8.360 nan 0.000 0.403 234 D N 1.105 121.510 120.400 0.008 0.000 2.383 234 D HA 0.005 4.647 4.640 0.004 0.000 0.252 234 D C 0.433 176.714 176.300 -0.032 0.000 1.166 234 D CA 0.171 54.163 54.000 -0.013 0.000 0.879 234 D CB 0.991 41.793 40.800 0.004 0.000 1.164 234 D HN 0.519 nan 8.370 nan 0.000 0.462 235 T N 0.493 115.006 114.554 -0.068 0.000 3.054 235 T HA 0.324 4.676 4.350 0.004 0.000 0.255 235 T C 1.480 176.093 174.700 -0.146 0.000 1.035 235 T CA 0.237 62.285 62.100 -0.086 0.000 0.941 235 T CB 0.409 69.233 68.868 -0.074 0.000 1.026 235 T HN 0.246 nan 8.240 nan 0.000 0.533 236 A N 1.479 124.159 122.820 -0.232 0.000 2.014 236 A HA 0.004 4.326 4.320 0.004 0.000 0.218 236 A C 1.730 179.045 177.584 -0.448 0.000 1.163 236 A CA 0.774 52.584 52.037 -0.377 0.000 0.652 236 A CB -0.538 18.153 19.000 -0.516 0.000 0.808 236 A HN 0.647 nan 8.150 nan 0.000 0.449 237 H N -0.938 118.072 119.070 -0.101 0.000 2.486 237 H HA 0.233 4.791 4.556 0.003 0.000 0.284 237 H C 0.223 175.328 175.328 -0.372 0.000 1.103 237 H CA -0.184 55.775 56.048 -0.149 0.000 1.089 237 H CB -0.136 29.601 29.762 -0.041 0.000 1.603 237 H HN 0.669 nan 8.280 nan 0.000 0.557 238 Q N 1.166 120.787 119.800 -0.299 0.000 2.259 238 Q HA 0.125 4.468 4.340 0.004 0.000 0.246 238 Q C -0.712 174.942 176.000 -0.576 0.000 0.920 238 Q CA -0.410 55.194 55.803 -0.333 0.000 0.895 238 Q CB 0.745 29.399 28.738 -0.139 0.000 1.220 238 Q HN 0.355 nan 8.270 nan 0.000 0.439 239 H N 5.454 124.569 119.070 0.076 0.000 2.866 239 H HA 0.177 4.735 4.556 0.004 0.000 0.287 239 H C 0.239 175.608 175.328 0.069 0.000 1.106 239 H CA -0.212 55.887 56.048 0.085 0.000 1.396 239 H CB 0.739 30.574 29.762 0.122 0.000 1.469 239 H HN 0.766 nan 8.280 nan 0.000 0.500 240 I N 1.267 121.909 120.570 0.120 0.000 2.928 240 I HA -0.141 4.031 4.170 0.004 0.000 0.266 240 I C 1.403 177.584 176.117 0.106 0.000 1.234 240 I CA 0.856 62.203 61.300 0.077 0.000 1.483 240 I CB 0.298 38.320 38.000 0.037 0.000 1.097 240 I HN 0.046 nan 8.210 nan 0.000 0.455 241 K N 1.157 121.646 120.400 0.148 0.000 2.404 241 K HA 0.295 4.617 4.320 0.004 0.000 0.194 241 K C 0.336 177.069 176.600 0.223 0.000 1.023 241 K CA 0.630 57.021 56.287 0.173 0.000 1.094 241 K CB 0.201 32.803 32.500 0.171 0.000 0.841 241 K HN 0.519 nan 8.250 nan 0.000 0.523 242 G N -0.696 108.209 108.800 0.174 0.000 2.409 242 G HA2 -0.121 3.842 3.960 0.004 0.000 0.421 242 G HA3 -0.121 3.842 3.960 0.004 0.000 0.421 242 G C -1.670 173.321 174.900 0.153 0.000 1.259 242 G CA -0.592 44.562 45.100 0.090 0.000 1.011 242 G HN 0.270 nan 8.290 nan 0.000 0.497 243 H N -0.728 118.300 119.070 -0.069 0.000 2.974 243 H HA 0.639 5.197 4.556 0.004 0.000 0.366 243 H C -1.080 174.239 175.328 -0.014 0.000 1.155 243 H CA -0.596 55.427 56.048 -0.041 0.000 1.186 243 H CB 1.621 31.352 29.762 -0.052 0.000 1.799 243 H HN 0.560 nan 8.280 nan 0.000 0.541 244 L N 2.538 123.454 121.223 -0.512 0.000 2.334 244 L HA 0.375 4.717 4.340 0.004 0.000 0.276 244 L C 0.178 176.832 176.870 -0.361 0.000 1.014 244 L CA -0.708 53.969 54.840 -0.271 0.000 0.815 244 L CB 1.966 43.953 42.059 -0.121 0.000 1.268 244 L HN 0.375 nan 8.230 nan 0.000 0.428 245 S N 3.282 118.917 115.700 -0.108 0.000 2.640 245 S HA 0.681 5.153 4.470 0.004 0.000 0.320 245 S C -0.750 173.834 174.600 -0.027 0.000 1.097 245 S CA -0.550 57.626 58.200 -0.039 0.000 1.092 245 S CB 0.416 63.645 63.200 0.048 0.000 0.988 245 S HN 0.429 nan 8.310 nan 0.000 0.470 246 L N 4.012 125.215 121.223 -0.033 0.000 2.295 246 L HA 0.525 4.867 4.340 0.004 0.000 0.285 246 L C 0.223 177.087 176.870 -0.011 0.000 1.035 246 L CA -0.671 54.157 54.840 -0.020 0.000 0.806 246 L CB 1.774 43.820 42.059 -0.021 0.000 1.214 246 L HN 0.430 nan 8.230 nan 0.000 0.426 247 T N 4.300 118.850 114.554 -0.007 0.000 2.767 247 T HA 0.572 4.925 4.350 0.004 0.000 0.284 247 T C 0.071 174.766 174.700 -0.007 0.000 0.973 247 T CA -0.403 61.693 62.100 -0.006 0.000 0.996 247 T CB 0.810 69.676 68.868 -0.003 0.000 0.927 247 T HN 0.281 nan 8.240 nan 0.000 0.456 248 L N 2.000 123.219 121.223 -0.007 0.000 2.358 248 L HA 0.384 4.726 4.340 0.004 0.000 0.268 248 L C 1.920 178.785 176.870 -0.008 0.000 1.032 248 L CA -0.873 53.963 54.840 -0.008 0.000 0.805 248 L CB 1.051 43.105 42.059 -0.008 0.000 1.253 248 L HN 0.743 nan 8.230 nan 0.000 0.452 249 S N -0.251 115.444 115.700 -0.009 0.000 2.493 249 S HA -0.162 4.311 4.470 0.004 0.000 0.243 249 S C 0.857 175.452 174.600 -0.008 0.000 0.991 249 S CA 1.313 59.508 58.200 -0.008 0.000 0.957 249 S CB -0.763 62.431 63.200 -0.009 0.000 0.756 249 S HN 0.866 nan 8.310 nan 0.000 0.521 250 N N -0.030 118.665 118.700 -0.009 0.000 2.275 250 N HA 0.396 5.139 4.740 0.004 0.000 0.236 250 N C 1.023 176.529 175.510 -0.008 0.000 1.154 250 N CA 0.104 53.148 53.050 -0.009 0.000 0.866 250 N CB -0.035 38.446 38.487 -0.010 0.000 1.093 250 N HN 0.359 nan 8.380 nan 0.000 0.515 251 G N -0.458 108.338 108.800 -0.007 0.000 2.196 251 G HA2 -0.367 3.596 3.960 0.004 0.000 0.268 251 G HA3 -0.367 3.596 3.960 0.004 0.000 0.268 251 G C -0.173 174.723 174.900 -0.007 0.000 0.975 251 G CA 0.486 45.582 45.100 -0.006 0.000 0.648 251 G HN 0.532 nan 8.290 nan 0.000 0.538 252 E N -0.534 119.661 120.200 -0.008 0.000 2.390 252 E HA 0.483 4.835 4.350 0.004 0.000 0.261 252 E C -0.175 176.420 176.600 -0.009 0.000 1.076 252 E CA -0.653 55.742 56.400 -0.009 0.000 0.905 252 E CB 0.798 30.491 29.700 -0.010 0.000 0.984 252 E HN 0.085 nan 8.360 nan 0.000 0.427 253 L N 3.061 124.278 121.223 -0.011 0.000 2.309 253 L HA 0.393 4.736 4.340 0.004 0.000 0.282 253 L C -0.857 176.001 176.870 -0.020 0.000 1.036 253 L CA -0.149 54.685 54.840 -0.010 0.000 0.806 253 L CB 1.122 43.178 42.059 -0.004 0.000 1.220 253 L HN 0.428 nan 8.230 nan 0.000 0.429 254 L N 3.989 125.197 121.223 -0.025 0.000 2.356 254 L HA 0.460 4.803 4.340 0.004 0.000 0.277 254 L C -0.609 176.219 176.870 -0.070 0.000 0.996 254 L CA -0.749 54.060 54.840 -0.051 0.000 0.822 254 L CB 1.772 43.809 42.059 -0.036 0.000 1.256 254 L HN 0.518 nan 8.230 nan 0.000 0.413 255 E N 2.404 122.548 120.200 -0.093 0.000 2.249 255 E HA 0.485 4.837 4.350 0.004 0.000 0.280 255 E C -0.623 175.847 176.600 -0.217 0.000 1.016 255 E CA -0.197 56.146 56.400 -0.095 0.000 0.830 255 E CB 2.260 32.041 29.700 0.135 0.000 1.081 255 E HN 0.393 nan 8.360 nan 0.000 0.395 256 T N 1.056 115.425 114.554 -0.308 0.000 2.885 256 T HA 0.195 4.547 4.350 0.004 0.000 0.322 256 T C -0.668 173.897 174.700 -0.225 0.000 1.387 256 T CA -0.611 61.429 62.100 -0.100 0.000 1.041 256 T CB 0.989 69.902 68.868 0.076 0.000 1.287 256 T HN 0.220 nan 8.240 nan 0.000 0.491 257 D N 1.498 121.844 120.400 -0.091 0.000 2.360 257 D HA 0.267 4.909 4.640 0.004 0.000 0.210 257 D C 0.186 176.462 176.300 -0.040 0.000 1.047 257 D CA 0.284 54.200 54.000 -0.141 0.000 0.854 257 D CB 0.871 41.533 40.800 -0.229 0.000 0.936 257 D HN 0.302 nan 8.370 nan 0.000 0.514 258 L N 0.116 121.329 121.223 -0.016 0.000 2.643 258 L HA 0.353 4.695 4.340 0.004 0.000 0.257 258 L C -2.420 174.448 176.870 -0.003 0.000 0.922 258 L CA -0.590 54.254 54.840 0.008 0.000 0.909 258 L CB 2.346 44.429 42.059 0.041 0.000 1.424 258 L HN -0.214 nan 8.230 nan 0.000 0.422 259 L N 5.484 126.695 121.223 -0.019 0.000 2.349 259 L HA 0.586 4.929 4.340 0.004 0.000 0.278 259 L C -0.987 175.876 176.870 -0.013 0.000 0.996 259 L CA -0.614 54.212 54.840 -0.022 0.000 0.825 259 L CB 1.546 43.579 42.059 -0.044 0.000 1.243 259 L HN 0.627 nan 8.230 nan 0.000 0.412 263 I N -2.007 118.523 120.570 -0.066 0.000 3.856 263 I HA 0.633 4.806 4.170 0.004 0.000 0.333 263 I C 0.613 176.696 176.117 -0.058 0.000 1.525 263 I CA 0.155 61.421 61.300 -0.057 0.000 1.173 263 I CB 0.326 38.304 38.000 -0.037 0.000 1.175 263 I HN 1.067 nan 8.210 nan 0.000 0.424 264 G N 1.223 109.976 108.800 -0.079 0.000 2.515 264 G HA2 0.150 4.113 3.960 0.004 0.000 0.686 264 G HA3 0.150 4.113 3.960 0.004 0.000 0.686 264 G C -0.938 173.937 174.900 -0.042 0.000 1.274 264 G CA -0.470 44.592 45.100 -0.063 0.000 0.874 264 G HN 0.753 nan 8.290 nan 0.000 0.631 265 V N -2.103 117.798 119.914 -0.021 0.000 2.715 265 V HA 0.973 5.096 4.120 0.004 0.000 0.310 265 V C 0.127 176.224 176.094 0.004 0.000 1.054 265 V CA -0.640 61.658 62.300 -0.003 0.000 0.928 265 V CB 1.801 33.631 31.823 0.012 0.000 1.007 265 V HN 1.454 nan 8.190 nan 0.000 0.437 266 R N 3.659 124.162 120.500 0.005 0.000 2.494 266 R HA 0.653 4.996 4.340 0.004 0.000 0.305 266 R C -2.912 173.392 176.300 0.006 0.000 0.959 266 R CA -1.857 54.245 56.100 0.005 0.000 0.864 266 R CB 2.056 32.356 30.300 -0.000 0.000 1.159 266 R HN 0.559 nan 8.270 nan 0.000 0.446 267 P HA -0.113 nan 4.420 nan 0.000 0.264 267 P C -0.925 176.375 177.300 0.000 0.000 1.179 267 P CA 0.394 63.496 63.100 0.003 0.000 0.763 267 P CB 0.472 32.172 31.700 -0.001 0.000 0.806 268 E N 1.801 122.001 120.200 0.000 0.000 2.003 268 E HA 0.062 4.415 4.350 0.004 0.000 0.279 268 E C 0.615 177.208 176.600 -0.011 0.000 1.132 268 E CA 0.429 56.828 56.400 -0.003 0.000 0.888 268 E CB 0.057 29.758 29.700 0.001 0.000 1.056 268 E HN 0.481 nan 8.360 nan 0.000 0.399 269 T N -0.818 113.728 114.554 -0.013 0.000 3.040 269 T HA -0.016 4.336 4.350 0.004 0.000 0.266 269 T C 1.426 176.113 174.700 -0.021 0.000 1.005 269 T CA -0.287 61.803 62.100 -0.017 0.000 0.906 269 T CB 0.404 69.263 68.868 -0.015 0.000 1.082 269 T HN 0.087 nan 8.240 nan 0.000 0.531 270 Q N 1.637 121.425 119.800 -0.021 0.000 2.050 270 Q HA 0.113 4.456 4.340 0.004 0.000 0.202 270 Q C 2.022 178.004 176.000 -0.030 0.000 0.980 270 Q CA 1.571 57.360 55.803 -0.024 0.000 0.840 270 Q CB -0.782 27.942 28.738 -0.022 0.000 0.898 270 Q HN 0.601 nan 8.270 nan 0.000 0.424 271 L N -0.429 120.772 121.223 -0.037 0.000 2.012 271 L HA -0.198 4.145 4.340 0.004 0.000 0.210 271 L C 2.379 179.224 176.870 -0.042 0.000 1.073 271 L CA 1.235 56.046 54.840 -0.047 0.000 0.748 271 L CB -0.805 41.217 42.059 -0.061 0.000 0.891 271 L HN 0.322 nan 8.230 nan 0.000 0.431 272 A N 0.131 122.928 122.820 -0.038 0.000 1.898 272 A HA -0.179 4.144 4.320 0.004 0.000 0.216 272 A C 2.357 179.924 177.584 -0.028 0.000 1.181 272 A CA 1.324 53.340 52.037 -0.035 0.000 0.620 272 A CB -0.407 18.573 19.000 -0.034 0.000 0.819 272 A HN 0.308 nan 8.150 nan 0.000 0.442 273 R N -0.109 120.376 120.500 -0.025 0.000 2.073 273 R HA -0.118 4.225 4.340 0.004 0.000 0.234 273 R C 1.660 177.948 176.300 -0.020 0.000 1.134 273 R CA 1.511 57.599 56.100 -0.021 0.000 0.952 273 R CB -0.471 29.818 30.300 -0.018 0.000 0.850 273 R HN 0.427 nan 8.270 nan 0.000 0.433 274 D N 0.741 121.128 120.400 -0.023 0.000 2.158 274 D HA -0.161 4.481 4.640 0.004 0.000 0.197 274 D C 1.576 177.864 176.300 -0.020 0.000 0.995 274 D CA 1.656 55.643 54.000 -0.022 0.000 0.846 274 D CB -0.228 40.556 40.800 -0.027 0.000 0.941 274 D HN 0.308 nan 8.370 nan 0.000 0.456 275 A N -0.509 122.298 122.820 -0.021 0.000 2.235 275 A HA 0.357 4.680 4.320 0.004 0.000 0.208 275 A C 1.798 179.375 177.584 -0.011 0.000 1.172 275 A CA 1.212 53.241 52.037 -0.014 0.000 0.786 275 A CB -0.334 18.658 19.000 -0.014 0.000 0.804 275 A HN 0.290 nan 8.150 nan 0.000 0.479 276 G N -1.293 107.498 108.800 -0.014 0.000 2.136 276 G HA2 -0.207 3.755 3.960 0.004 0.000 0.242 276 G HA3 -0.207 3.755 3.960 0.004 0.000 0.242 276 G C 0.061 174.952 174.900 -0.016 0.000 0.989 276 G CA 0.200 45.292 45.100 -0.013 0.000 0.682 276 G HN 0.446 nan 8.290 nan 0.000 0.522 277 L N 0.715 121.926 121.223 -0.020 0.000 2.426 277 L HA 0.558 4.901 4.340 0.004 0.000 0.271 277 L C 1.347 178.202 176.870 -0.024 0.000 1.169 277 L CA -0.144 54.681 54.840 -0.025 0.000 0.836 277 L CB 0.859 42.899 42.059 -0.032 0.000 1.112 277 L HN 0.358 nan 8.230 nan 0.000 0.465 278 A N 4.528 127.333 122.820 -0.026 0.000 2.511 278 A HA 0.425 4.748 4.320 0.004 0.000 0.242 278 A C -0.203 177.368 177.584 -0.022 0.000 1.069 278 A CA -0.127 51.897 52.037 -0.022 0.000 0.763 278 A CB -0.037 18.949 19.000 -0.022 0.000 1.001 278 A HN 0.451 nan 8.150 nan 0.000 0.498 279 I N 1.751 122.310 120.570 -0.017 0.000 2.562 279 I HA 0.481 4.653 4.170 0.004 0.000 0.301 279 I C 1.038 177.148 176.117 -0.012 0.000 1.003 279 I CA -0.441 60.850 61.300 -0.015 0.000 1.127 279 I CB 0.964 38.956 38.000 -0.014 0.000 1.304 279 I HN 0.724 nan 8.210 nan 0.000 0.446 280 G N 3.221 112.016 108.800 -0.010 0.000 2.557 280 G HA2 0.295 4.257 3.960 0.004 0.000 0.292 280 G HA3 0.295 4.257 3.960 0.004 0.000 0.292 280 G C 0.592 175.489 174.900 -0.005 0.000 1.237 280 G CA -0.272 44.824 45.100 -0.007 0.000 0.978 280 G HN 0.669 nan 8.290 nan 0.000 0.498 281 E N -0.291 119.907 120.200 -0.004 0.000 2.409 281 E HA -0.086 4.267 4.350 0.004 0.000 0.198 281 E C 1.813 178.412 176.600 -0.002 0.000 1.024 281 E CA 0.282 56.680 56.400 -0.004 0.000 0.861 281 E CB 0.001 29.699 29.700 -0.003 0.000 0.788 281 E HN 0.165 nan 8.360 nan 0.000 0.521 282 L N -0.239 120.984 121.223 -0.000 0.000 2.591 282 L HA 0.179 4.521 4.340 0.004 0.000 0.228 282 L C 1.602 178.472 176.870 -0.000 0.000 1.133 282 L CA 0.989 55.830 54.840 0.001 0.000 0.880 282 L CB -0.835 41.227 42.059 0.005 0.000 1.033 282 L HN 0.262 nan 8.230 nan 0.000 0.450 283 G N -1.187 107.612 108.800 -0.003 0.000 2.157 283 G HA2 -0.185 3.778 3.960 0.004 0.000 0.239 283 G HA3 -0.185 3.778 3.960 0.004 0.000 0.239 283 G C 0.674 175.571 174.900 -0.005 0.000 0.982 283 G CA -0.046 45.051 45.100 -0.004 0.000 0.650 283 G HN 0.655 nan 8.290 nan 0.000 0.527 284 G N -0.505 108.292 108.800 -0.004 0.000 2.412 284 G HA2 0.646 4.608 3.960 0.004 0.000 0.318 284 G HA3 0.646 4.608 3.960 0.004 0.000 0.318 284 G C 0.330 175.223 174.900 -0.011 0.000 1.146 284 G CA -0.926 44.170 45.100 -0.006 0.000 0.882 284 G HN 0.633 nan 8.290 nan 0.000 0.501 285 I N 0.522 121.082 120.570 -0.016 0.000 2.752 285 I HA 0.015 4.187 4.170 0.004 0.000 0.289 285 I C 0.892 176.996 176.117 -0.021 0.000 1.197 285 I CA 0.361 61.648 61.300 -0.022 0.000 1.432 285 I CB 0.670 38.654 38.000 -0.027 0.000 1.359 285 I HN 0.314 nan 8.210 nan 0.000 0.571 286 K N 6.910 127.296 120.400 -0.023 0.000 2.234 286 K HA 0.544 4.866 4.320 0.004 0.000 0.282 286 K C -0.867 175.715 176.600 -0.031 0.000 1.039 286 K CA -0.546 55.728 56.287 -0.021 0.000 0.928 286 K CB 0.961 33.450 32.500 -0.019 0.000 1.039 286 K HN 0.509 nan 8.250 nan 0.000 0.470 287 V N 1.012 120.911 119.914 -0.024 0.000 3.007 287 V HA 0.521 4.643 4.120 0.004 0.000 0.311 287 V C -0.863 175.223 176.094 -0.014 0.000 1.120 287 V CA -1.283 60.997 62.300 -0.035 0.000 0.980 287 V CB 1.635 33.438 31.823 -0.034 0.000 1.033 287 V HN 0.971 nan 8.190 nan 0.000 0.429 288 N N 2.452 121.139 118.700 -0.022 0.000 2.413 288 N HA 0.687 5.430 4.740 0.004 0.000 0.266 288 N C 0.358 175.894 175.510 0.042 0.000 1.238 288 N CA 0.117 53.169 53.050 0.003 0.000 0.972 288 N CB 0.832 39.311 38.487 -0.014 0.000 1.210 288 N HN 1.364 nan 8.380 nan 0.000 0.547 293 T N -0.019 114.391 114.554 -0.239 0.000 2.715 293 T HA 0.196 4.548 4.350 0.004 0.000 0.320 293 T C 1.496 176.130 174.700 -0.111 0.000 1.046 293 T CA 0.402 62.425 62.100 -0.130 0.000 0.983 293 T CB 0.397 69.206 68.868 -0.100 0.000 1.183 293 T HN 0.943 nan 8.240 nan 0.000 0.522 294 S N -0.876 114.781 115.700 -0.072 0.000 2.440 294 S HA -0.102 4.370 4.470 0.004 0.000 0.238 294 S C 0.622 175.188 174.600 -0.057 0.000 1.010 294 S CA 0.854 59.020 58.200 -0.057 0.000 0.972 294 S CB -0.642 62.535 63.200 -0.038 0.000 0.774 294 S HN 0.843 nan 8.310 nan 0.000 0.501 295 D N 2.422 122.785 120.400 -0.062 0.000 2.274 295 D HA 0.268 4.911 4.640 0.004 0.000 0.239 295 D C -1.640 174.609 176.300 -0.085 0.000 1.104 295 D CA -2.403 51.570 54.000 -0.045 0.000 0.840 295 D CB 1.955 42.750 40.800 -0.009 0.000 1.100 295 D HN 0.030 nan 8.370 nan 0.000 0.477 296 P HA -0.051 nan 4.420 nan 0.000 0.226 296 P C 0.771 178.021 177.300 -0.084 0.000 1.153 296 P CA 0.431 63.463 63.100 -0.114 0.000 0.777 296 P CB 0.293 31.961 31.700 -0.053 0.000 0.794 297 A N -0.613 122.217 122.820 0.017 0.000 2.238 297 A HA 0.163 4.485 4.320 0.004 0.000 0.208 297 A C 1.210 178.882 177.584 0.148 0.000 1.177 297 A CA 0.233 52.350 52.037 0.134 0.000 0.804 297 A CB -0.653 18.460 19.000 0.189 0.000 0.823 297 A HN 0.174 nan 8.150 nan 0.000 0.482 298 I N -0.468 120.100 120.570 -0.003 0.000 2.436 298 I HA 0.426 4.598 4.170 0.004 0.000 0.289 298 I C -1.136 174.904 176.117 -0.128 0.000 1.010 298 I CA -0.761 60.530 61.300 -0.014 0.000 1.098 298 I CB 1.589 39.554 38.000 -0.057 0.000 1.266 298 I HN 0.108 nan 8.210 nan 0.000 0.434 299 Y N 3.956 124.219 120.300 -0.062 0.000 2.528 299 Y HA 0.826 5.378 4.550 0.004 0.000 0.335 299 Y C 0.220 176.083 175.900 -0.061 0.000 1.093 299 Y CA -0.757 57.312 58.100 -0.051 0.000 1.134 299 Y CB 2.137 40.569 38.460 -0.047 0.000 1.253 299 Y HN 0.578 nan 8.280 nan 0.000 0.478 300 A N 1.160 124.025 122.820 0.075 0.000 2.549 300 A HA 0.846 5.169 4.320 0.004 0.000 0.297 300 A C -1.523 176.063 177.584 0.004 0.000 1.061 300 A CA -0.559 51.490 52.037 0.019 0.000 0.690 300 A CB 1.218 20.207 19.000 -0.018 0.000 1.287 300 A HN 0.988 nan 8.150 nan 0.000 0.402 301 V N -0.988 118.913 119.914 -0.021 0.000 3.114 301 V HA 1.004 5.127 4.120 0.004 0.000 0.308 301 V C 0.464 176.523 176.094 -0.058 0.000 1.168 301 V CA 0.321 62.588 62.300 -0.056 0.000 1.015 301 V CB 0.928 32.717 31.823 -0.058 0.000 1.050 301 V HN 2.972 nan 8.190 nan 0.000 0.433 302 G N 2.094 110.845 108.800 -0.082 0.000 2.499 302 G HA2 -0.197 3.766 3.960 0.004 0.000 0.232 302 G HA3 -0.197 3.766 3.960 0.004 0.000 0.232 302 G C 0.051 174.927 174.900 -0.040 0.000 1.251 302 G CA 0.595 45.657 45.100 -0.063 0.000 0.917 302 G HN 1.039 nan 8.290 nan 0.000 0.580 303 D N 0.887 121.275 120.400 -0.020 0.000 2.310 303 D HA 0.197 4.840 4.640 0.004 0.000 0.212 303 D C 2.516 178.815 176.300 -0.002 0.000 0.965 303 D CA 1.664 55.663 54.000 -0.001 0.000 0.879 303 D CB -0.481 40.329 40.800 0.017 0.000 0.921 303 D HN 0.869 nan 8.370 nan 0.000 0.510 304 A N 0.384 123.197 122.820 -0.010 0.000 2.167 304 A HA 0.100 4.423 4.320 0.004 0.000 0.214 304 A C 1.157 178.732 177.584 -0.015 0.000 1.151 304 A CA 0.338 52.368 52.037 -0.011 0.000 0.735 304 A CB -0.140 18.852 19.000 -0.013 0.000 0.802 304 A HN 0.157 nan 8.150 nan 0.000 0.467 305 V N -2.749 117.152 119.914 -0.022 0.000 2.769 305 V HA 0.522 4.644 4.120 0.004 0.000 0.312 305 V C -0.499 175.586 176.094 -0.014 0.000 1.058 305 V CA -1.253 61.032 62.300 -0.024 0.000 0.952 305 V CB 1.428 33.228 31.823 -0.038 0.000 1.019 305 V HN 0.320 nan 8.190 nan 0.000 0.445 306 E N 1.702 121.898 120.200 -0.006 0.000 2.373 306 E HA 0.380 4.733 4.350 0.004 0.000 0.267 306 E C -0.638 175.972 176.600 0.018 0.000 1.032 306 E CA -0.025 56.379 56.400 0.008 0.000 0.889 306 E CB 1.199 30.904 29.700 0.008 0.000 0.984 306 E HN 0.801 nan 8.360 nan 0.000 0.425 307 E N 1.250 121.475 120.200 0.042 0.000 2.299 307 E HA 0.150 4.503 4.350 0.004 0.000 0.265 307 E C -0.948 175.715 176.600 0.106 0.000 0.911 307 E CA -0.678 55.777 56.400 0.092 0.000 0.789 307 E CB 1.483 31.259 29.700 0.126 0.000 1.246 307 E HN 0.304 nan 8.360 nan 0.000 0.427 308 Q N 1.345 121.228 119.800 0.139 0.000 2.304 308 Q HA 0.076 4.419 4.340 0.004 0.000 0.260 308 Q C -0.912 175.158 176.000 0.117 0.000 0.965 308 Q CA -0.093 55.769 55.803 0.099 0.000 0.898 308 Q CB 0.942 29.726 28.738 0.077 0.000 1.196 308 Q HN 0.490 nan 8.270 nan 0.000 0.402 309 D N 1.219 121.669 120.400 0.083 0.000 2.450 309 D HA -0.081 4.561 4.640 0.004 0.000 0.247 309 D C 0.389 176.753 176.300 0.107 0.000 1.162 309 D CA 0.100 54.157 54.000 0.096 0.000 0.879 309 D CB 0.406 41.240 40.800 0.056 0.000 1.163 309 D HN 0.444 nan 8.370 nan 0.000 0.472 310 F N 3.715 123.674 119.950 0.015 0.000 2.095 310 F HA -0.210 4.320 4.527 0.004 0.000 0.298 310 F C 1.793 177.605 175.800 0.020 0.000 1.104 310 F CA 1.395 59.396 58.000 0.001 0.000 1.232 310 F CB -0.090 38.906 39.000 -0.007 0.000 0.987 310 F HN 0.361 nan 8.300 nan 0.000 0.475 311 V N -0.403 119.635 119.914 0.206 0.000 2.323 311 V HA -0.248 3.875 4.120 0.004 0.000 0.244 311 V C 2.313 178.415 176.094 0.013 0.000 1.041 311 V CA 2.295 64.680 62.300 0.142 0.000 1.025 311 V CB -1.218 30.732 31.823 0.211 0.000 0.656 311 V HN 0.607 nan 8.190 nan 0.000 0.451 312 T N -3.509 111.042 114.554 -0.005 0.000 3.022 312 T HA 0.336 4.689 4.350 0.004 0.000 0.250 312 T C 1.648 176.324 174.700 -0.040 0.000 1.060 312 T CA 0.936 63.018 62.100 -0.030 0.000 1.013 312 T CB 0.774 69.622 68.868 -0.033 0.000 0.982 312 T HN 0.911 nan 8.240 nan 0.000 0.508 313 G N 1.368 110.140 108.800 -0.048 0.000 2.189 313 G HA2 -0.262 3.701 3.960 0.004 0.000 0.267 313 G HA3 -0.262 3.701 3.960 0.004 0.000 0.267 313 G C 0.138 175.030 174.900 -0.013 0.000 0.975 313 G CA 0.323 45.398 45.100 -0.042 0.000 0.644 313 G HN 0.640 nan 8.290 nan 0.000 0.537 314 Q N 0.187 119.983 119.800 -0.006 0.000 2.396 314 Q HA 0.637 4.980 4.340 0.004 0.000 0.221 314 Q C 0.755 176.764 176.000 0.015 0.000 1.025 314 Q CA 0.288 56.091 55.803 0.000 0.000 0.946 314 Q CB 0.912 29.647 28.738 -0.005 0.000 1.224 314 Q HN 0.807 nan 8.270 nan 0.000 0.539 315 A N 0.618 123.446 122.820 0.014 0.000 2.407 315 A HA 0.429 4.752 4.320 0.004 0.000 0.248 315 A C 0.279 177.878 177.584 0.025 0.000 1.082 315 A CA -0.263 51.787 52.037 0.023 0.000 0.785 315 A CB -0.156 18.853 19.000 0.015 0.000 1.020 315 A HN 0.842 nan 8.150 nan 0.000 0.489 316 C N 0.203 119.525 119.300 0.036 0.000 3.323 316 C HA 0.823 5.285 4.460 0.004 0.000 0.324 316 C C -0.828 174.183 174.990 0.035 0.000 1.428 316 C CA -1.056 57.983 59.018 0.035 0.000 1.368 316 C CB 0.292 28.057 27.740 0.043 0.000 1.731 316 C HN 0.769 nan 8.230 nan 0.000 0.455 317 L N 1.496 122.739 121.223 0.033 0.000 2.349 317 L HA 0.730 5.073 4.340 0.004 0.000 0.278 317 L C -0.939 175.957 176.870 0.044 0.000 0.996 317 L CA -0.416 54.444 54.840 0.033 0.000 0.825 317 L CB 1.864 43.939 42.059 0.027 0.000 1.243 317 L HN 0.656 nan 8.230 nan 0.000 0.412 318 V N 4.439 124.381 119.914 0.046 0.000 2.516 318 V HA 0.248 4.370 4.120 0.004 0.000 0.271 318 V C -2.164 173.960 176.094 0.050 0.000 0.992 318 V CA -0.883 61.450 62.300 0.055 0.000 0.857 318 V CB 1.752 33.610 31.823 0.058 0.000 1.047 318 V HN 0.599 nan 8.190 nan 0.000 0.455 319 P HA 0.416 nan 4.420 nan 0.000 0.238 319 P C -0.764 176.579 177.300 0.071 0.000 1.794 319 P CA 0.077 63.221 63.100 0.073 0.000 1.088 319 P CB 0.457 32.217 31.700 0.100 0.000 1.923 320 L N 0.647 121.880 121.223 0.016 0.000 2.309 320 L HA 0.677 5.019 4.340 0.004 0.000 0.261 320 L C 1.472 178.321 176.870 -0.035 0.000 1.021 320 L CA -1.043 53.777 54.840 -0.033 0.000 0.823 320 L CB 1.451 43.467 42.059 -0.070 0.000 1.366 320 L HN -0.068 nan 8.230 nan 0.000 0.423 321 A N 0.676 123.463 122.820 -0.056 0.000 1.935 321 A HA 0.101 4.423 4.320 0.004 0.000 0.214 321 A C 1.919 179.478 177.584 -0.042 0.000 1.178 321 A CA 1.279 53.286 52.037 -0.051 0.000 0.640 321 A CB -0.858 18.106 19.000 -0.059 0.000 0.825 321 A HN 0.948 nan 8.150 nan 0.000 0.447 322 G N 0.819 109.597 108.800 -0.038 0.000 2.511 322 G HA2 -0.179 3.784 3.960 0.004 0.000 0.216 322 G HA3 -0.179 3.784 3.960 0.004 0.000 0.216 322 G C -0.223 174.678 174.900 0.003 0.000 1.218 322 G CA 1.386 46.475 45.100 -0.019 0.000 0.788 322 G HN 0.472 nan 8.290 nan 0.000 0.560 323 P HA -0.066 nan 4.420 nan 0.000 0.216 323 P C 2.110 179.377 177.300 -0.055 0.000 1.150 323 P CA 2.084 65.198 63.100 0.023 0.000 0.843 323 P CB -0.194 31.528 31.700 0.037 0.000 0.787 324 A N -0.577 122.211 122.820 -0.054 0.000 1.930 324 A HA -0.191 4.131 4.320 0.004 0.000 0.217 324 A C 2.216 179.765 177.584 -0.058 0.000 1.175 324 A CA 1.485 53.480 52.037 -0.070 0.000 0.627 324 A CB -1.303 17.663 19.000 -0.057 0.000 0.815 324 A HN 0.146 nan 8.150 nan 0.000 0.443 325 N N -0.270 118.405 118.700 -0.041 0.000 2.084 325 N HA -0.134 4.609 4.740 0.004 0.000 0.190 325 N C 1.909 177.406 175.510 -0.022 0.000 1.030 325 N CA 1.369 54.399 53.050 -0.033 0.000 0.849 325 N CB -0.241 38.230 38.487 -0.027 0.000 1.012 325 N HN 0.498 nan 8.380 nan 0.000 0.423 326 R N 1.002 121.500 120.500 -0.004 0.000 2.115 326 R HA -0.014 4.329 4.340 0.004 0.000 0.226 326 R C 2.213 178.524 176.300 0.018 0.000 1.100 326 R CA 0.770 56.887 56.100 0.029 0.000 0.980 326 R CB -0.092 30.257 30.300 0.083 0.000 0.875 326 R HN 0.342 nan 8.270 nan 0.000 0.445 327 Q N -0.360 119.407 119.800 -0.054 0.000 2.084 327 Q HA -0.098 4.244 4.340 0.004 0.000 0.202 327 Q C 2.223 178.187 176.000 -0.060 0.000 0.978 327 Q CA 1.570 57.304 55.803 -0.115 0.000 0.844 327 Q CB -0.205 28.398 28.738 -0.224 0.000 0.898 327 Q HN 0.481 nan 8.270 nan 0.000 0.426 328 G N 0.886 109.654 108.800 -0.054 0.000 2.418 328 G HA2 -0.221 3.741 3.960 0.004 0.000 0.217 328 G HA3 -0.221 3.741 3.960 0.004 0.000 0.217 328 G C 0.791 175.669 174.900 -0.038 0.000 1.158 328 G CA 0.033 45.105 45.100 -0.046 0.000 0.771 328 G HN 0.154 nan 8.290 nan 0.000 0.545 332 A N 1.052 123.809 122.820 -0.106 0.000 1.873 332 A HA -0.187 4.135 4.320 0.004 0.000 0.218 332 A C 1.570 179.219 177.584 0.107 0.000 1.193 332 A CA 2.488 54.518 52.037 -0.012 0.000 0.629 332 A CB -0.827 18.198 19.000 0.042 0.000 0.826 332 A HN 0.470 nan 8.150 nan 0.000 0.447 333 D N 0.366 120.808 120.400 0.070 0.000 2.133 333 D HA -0.110 4.532 4.640 0.004 0.000 0.192 333 D C 0.847 177.196 176.300 0.082 0.000 1.001 333 D CA 1.045 55.102 54.000 0.095 0.000 0.844 333 D CB -0.478 40.353 40.800 0.053 0.000 0.944 333 D HN 0.403 nan 8.370 nan 0.000 0.447 337 G N 0.781 109.634 108.800 0.088 0.000 2.136 337 G HA2 -0.324 3.639 3.960 0.004 0.000 0.242 337 G HA3 -0.324 3.639 3.960 0.004 0.000 0.242 337 G C 1.111 176.065 174.900 0.090 0.000 0.989 337 G CA 0.381 45.532 45.100 0.085 0.000 0.682 337 G HN 0.419 nan 8.290 nan 0.000 0.522 338 R N 0.295 120.853 120.500 0.097 0.000 2.276 338 R HA 0.165 4.508 4.340 0.004 0.000 0.203 338 R C 1.008 177.352 176.300 0.073 0.000 1.017 338 R CA 0.571 56.719 56.100 0.079 0.000 1.010 338 R CB -0.118 30.228 30.300 0.076 0.000 0.900 338 R HN 0.631 nan 8.270 nan 0.000 0.469 339 E N 1.297 121.548 120.200 0.085 0.000 2.228 339 E HA -0.211 4.142 4.350 0.004 0.000 0.213 339 E C -1.066 175.581 176.600 0.077 0.000 1.282 339 E CA 0.557 57.007 56.400 0.084 0.000 0.707 339 E CB -0.922 28.817 29.700 0.066 0.000 1.150 339 E HN 0.429 nan 8.360 nan 0.000 0.362 340 E N 0.539 120.791 120.200 0.087 0.000 2.249 340 E HA 0.296 4.649 4.350 0.004 0.000 0.280 340 E C -0.008 176.655 176.600 0.104 0.000 1.016 340 E CA -0.394 56.057 56.400 0.084 0.000 0.830 340 E CB 0.986 30.735 29.700 0.081 0.000 1.081 340 E HN 0.128 nan 8.360 nan 0.000 0.395 341 R N 2.297 122.853 120.500 0.095 0.000 2.346 341 R HA 0.207 4.550 4.340 0.004 0.000 0.311 341 R C -0.761 175.623 176.300 0.140 0.000 0.983 341 R CA -0.800 55.368 56.100 0.113 0.000 0.880 341 R CB 0.949 31.293 30.300 0.074 0.000 1.100 341 R HN 0.511 nan 8.270 nan 0.000 0.453 342 Y N 1.855 122.187 120.300 0.052 0.000 2.397 342 Y HA -0.036 4.517 4.550 0.004 0.000 0.335 342 Y C 0.582 176.520 175.900 0.064 0.000 1.213 342 Y CA 0.345 58.478 58.100 0.055 0.000 1.391 342 Y CB 0.943 39.435 38.460 0.053 0.000 1.293 342 Y HN 0.456 nan 8.280 nan 0.000 0.557 343 Q N 4.499 123.879 119.800 -0.700 0.000 2.189 343 Q HA 0.289 4.631 4.340 0.004 0.000 0.221 343 Q C 0.327 176.136 176.000 -0.318 0.000 0.848 343 Q CA 0.475 56.067 55.803 -0.352 0.000 1.007 343 Q CB 0.256 28.883 28.738 -0.185 0.000 1.116 343 Q HN 1.002 nan 8.270 nan 0.000 0.481 344 G N 0.615 109.092 108.800 -0.539 0.000 2.730 344 G HA2 -0.184 3.779 3.960 0.004 0.000 0.686 344 G HA3 -0.184 3.779 3.960 0.004 0.000 0.686 344 G C -0.602 174.313 174.900 0.025 0.000 1.343 344 G CA -0.610 44.448 45.100 -0.069 0.000 0.826 344 G HN 0.101 nan 8.290 nan 0.000 0.582 345 T N 1.176 115.864 114.554 0.224 0.000 2.807 345 T HA 0.557 4.909 4.350 0.004 0.000 0.279 345 T C 1.260 176.057 174.700 0.162 0.000 0.993 345 T CA -0.348 61.877 62.100 0.209 0.000 0.970 345 T CB 1.918 70.929 68.868 0.238 0.000 0.950 345 T HN 0.608 nan 8.240 nan 0.000 0.441 346 Q N 1.521 121.360 119.800 0.065 0.000 2.354 346 Q HA 0.235 4.578 4.340 0.004 0.000 0.203 346 Q C 1.429 177.446 176.000 0.028 0.000 0.933 346 Q CA 0.228 56.047 55.803 0.026 0.000 0.901 346 Q CB 0.333 29.006 28.738 -0.109 0.000 1.007 346 Q HN 1.070 nan 8.270 nan 0.000 0.495 347 G N 2.059 110.878 108.800 0.031 0.000 2.272 347 G HA2 -0.234 3.728 3.960 0.004 0.000 0.280 347 G HA3 -0.234 3.728 3.960 0.004 0.000 0.280 347 G C -0.177 174.719 174.900 -0.006 0.000 1.067 347 G CA 0.228 45.341 45.100 0.022 0.000 0.902 347 G HN 0.221 nan 8.290 nan 0.000 0.500 348 T N 0.478 115.018 114.554 -0.023 0.000 2.834 348 T HA 0.607 4.959 4.350 0.004 0.000 0.298 348 T C 0.637 175.307 174.700 -0.050 0.000 0.966 348 T CA 0.977 63.053 62.100 -0.039 0.000 1.141 348 T CB 1.513 70.351 68.868 -0.049 0.000 0.905 348 T HN 1.684 nan 8.240 nan 0.000 0.535 349 A N 3.429 126.218 122.820 -0.053 0.000 2.602 349 A HA 0.900 5.222 4.320 0.004 0.000 0.290 349 A C -1.371 176.176 177.584 -0.062 0.000 1.114 349 A CA -0.795 51.193 52.037 -0.081 0.000 0.683 349 A CB 1.553 20.502 19.000 -0.085 0.000 1.281 349 A HN 0.831 nan 8.150 nan 0.000 0.416 350 I N -0.296 120.226 120.570 -0.080 0.000 2.731 350 I HA 0.517 4.690 4.170 0.004 0.000 0.289 350 I C -1.675 174.419 176.117 -0.039 0.000 1.399 350 I CA -0.246 61.029 61.300 -0.043 0.000 1.048 350 I CB 1.653 39.630 38.000 -0.037 0.000 1.345 350 I HN 0.970 nan 8.210 nan 0.000 0.425 351 C N 7.064 126.370 119.300 0.010 0.000 2.698 351 C HA 0.498 4.960 4.460 0.004 0.000 0.309 351 C C -0.679 174.341 174.990 0.050 0.000 1.186 351 C CA -0.690 58.360 59.018 0.053 0.000 1.474 351 C CB 1.747 29.551 27.740 0.108 0.000 2.020 351 C HN 0.870 nan 8.230 nan 0.000 0.474 352 K N 3.819 124.258 120.400 0.066 0.000 2.297 352 K HA 0.562 4.885 4.320 0.004 0.000 0.286 352 K C -1.110 175.495 176.600 0.008 0.000 1.053 352 K CA -0.142 56.175 56.287 0.050 0.000 0.940 352 K CB 0.708 33.256 32.500 0.080 0.000 1.019 352 K HN 0.601 nan 8.250 nan 0.000 0.475 353 V N 7.698 127.619 119.914 0.012 0.000 2.320 353 V HA 0.204 4.327 4.120 0.004 0.000 0.268 353 V C -0.181 175.967 176.094 0.091 0.000 1.021 353 V CA -0.581 61.708 62.300 -0.019 0.000 0.813 353 V CB -0.776 31.087 31.823 0.066 0.000 1.054 353 V HN 0.980 nan 8.190 nan 0.000 0.444 354 F N 1.197 121.183 119.950 0.060 0.000 2.756 354 F HA -0.351 4.180 4.527 0.007 0.000 0.240 354 F C 1.724 177.558 175.800 0.056 0.000 1.487 354 F CA 2.009 60.041 58.000 0.053 0.000 1.859 354 F CB -1.041 37.966 39.000 0.012 0.000 1.319 354 F HN 0.448 nan 8.300 nan 0.000 0.230 355 D N 0.296 120.859 120.400 0.272 0.000 2.347 355 D HA 0.121 4.763 4.640 0.004 0.000 0.215 355 D C 0.683 177.043 176.300 0.100 0.000 0.976 355 D CA 0.649 54.740 54.000 0.151 0.000 0.884 355 D CB -0.076 40.794 40.800 0.118 0.000 0.915 355 D HN -0.052 nan 8.370 nan 0.000 0.526 356 L N 0.202 121.489 121.223 0.107 0.000 2.416 356 L HA 0.524 4.866 4.340 0.004 0.000 0.262 356 L C 0.028 176.925 176.870 0.045 0.000 1.093 356 L CA -0.858 54.017 54.840 0.059 0.000 0.801 356 L CB 1.338 43.440 42.059 0.072 0.000 1.191 356 L HN -0.173 nan 8.230 nan 0.000 0.459 357 A N 1.628 124.459 122.820 0.019 0.000 2.374 357 A HA 0.821 5.144 4.320 0.004 0.000 0.317 357 A C -1.516 176.073 177.584 0.008 0.000 1.094 357 A CA -0.511 51.536 52.037 0.017 0.000 0.765 357 A CB 1.660 20.665 19.000 0.008 0.000 1.268 357 A HN 0.363 nan 8.150 nan 0.000 0.438 358 V N 1.160 121.083 119.914 0.015 0.000 2.525 358 V HA 0.741 4.864 4.120 0.004 0.000 0.299 358 V C 0.463 176.562 176.094 0.008 0.000 1.034 358 V CA 0.014 62.321 62.300 0.012 0.000 0.863 358 V CB 1.720 33.561 31.823 0.029 0.000 0.999 358 V HN 1.316 nan 8.190 nan 0.000 0.423 359 G N 2.685 111.484 108.800 -0.003 0.000 2.519 359 G HA2 0.925 4.888 3.960 0.004 0.000 0.307 359 G HA3 0.925 4.888 3.960 0.004 0.000 0.307 359 G C -0.972 173.915 174.900 -0.022 0.000 1.266 359 G CA -0.189 44.906 45.100 -0.009 0.000 0.970 359 G HN 1.211 nan 8.290 nan 0.000 0.481 360 A N -0.006 122.798 122.820 -0.026 0.000 2.610 360 A HA 0.923 5.245 4.320 0.004 0.000 0.291 360 A C -0.733 176.830 177.584 -0.035 0.000 1.086 360 A CA -0.402 51.611 52.037 -0.041 0.000 0.677 360 A CB 1.915 20.894 19.000 -0.035 0.000 1.278 360 A HN 1.465 nan 8.150 nan 0.000 0.414 361 T N -0.775 113.756 114.554 -0.039 0.000 2.932 361 T HA 0.685 5.038 4.350 0.004 0.000 0.318 361 T C 0.304 174.993 174.700 -0.018 0.000 1.265 361 T CA 1.254 63.336 62.100 -0.031 0.000 1.036 361 T CB 0.880 69.725 68.868 -0.038 0.000 1.209 361 T HN 2.859 nan 8.240 nan 0.000 0.484 362 G N 3.746 112.548 108.800 0.003 0.000 2.512 362 G HA2 -0.112 3.851 3.960 0.004 0.000 0.240 362 G HA3 -0.112 3.851 3.960 0.004 0.000 0.240 362 G C -1.034 173.883 174.900 0.028 0.000 1.246 362 G CA -0.183 44.945 45.100 0.047 0.000 0.919 362 G HN 0.848 nan 8.290 nan 0.000 0.577 363 K N 1.685 122.101 120.400 0.028 0.000 2.159 363 K HA 0.423 4.746 4.320 0.004 0.000 0.266 363 K C 0.414 176.962 176.600 -0.086 0.000 0.975 363 K CA -0.321 55.946 56.287 -0.034 0.000 0.865 363 K CB 1.650 34.106 32.500 -0.073 0.000 1.087 363 K HN 0.802 nan 8.250 nan 0.000 0.446 364 N N 0.014 118.652 118.700 -0.104 0.000 2.476 364 N HA -0.014 4.729 4.740 0.004 0.000 0.287 364 N C 0.756 176.120 175.510 -0.244 0.000 1.262 364 N CA -0.365 52.599 53.050 -0.143 0.000 0.980 364 N CB 0.532 38.968 38.487 -0.085 0.000 1.163 364 N HN 0.660 nan 8.380 nan 0.000 0.592 365 E N -0.480 119.554 120.200 -0.276 0.000 2.152 365 E HA -0.116 4.236 4.350 0.004 0.000 0.192 365 E C 1.010 177.485 176.600 -0.209 0.000 0.983 365 E CA 0.841 56.992 56.400 -0.416 0.000 0.818 365 E CB 0.030 29.549 29.700 -0.300 0.000 0.758 365 E HN 0.571 nan 8.360 nan 0.000 0.467 366 K N 0.162 120.501 120.400 -0.102 0.000 2.097 366 K HA -0.170 4.152 4.320 0.004 0.000 0.206 366 K C 2.273 178.837 176.600 -0.060 0.000 1.049 366 K CA 1.558 57.818 56.287 -0.046 0.000 0.933 366 K CB -0.051 32.437 32.500 -0.020 0.000 0.717 366 K HN 0.198 nan 8.250 nan 0.000 0.442 367 Q N 0.483 120.227 119.800 -0.093 0.000 2.187 367 Q HA 0.003 4.346 4.340 0.004 0.000 0.199 367 Q C 2.089 178.018 176.000 -0.119 0.000 0.957 367 Q CA 0.728 56.478 55.803 -0.087 0.000 0.857 367 Q CB 0.039 28.728 28.738 -0.082 0.000 0.929 367 Q HN 0.254 nan 8.270 nan 0.000 0.453 368 L N 0.457 121.561 121.223 -0.198 0.000 2.056 368 L HA -0.161 4.181 4.340 0.004 0.000 0.207 368 L C 2.184 179.042 176.870 -0.020 0.000 1.078 368 L CA 1.237 55.955 54.840 -0.204 0.000 0.749 368 L CB -0.331 41.481 42.059 -0.412 0.000 0.901 368 L HN 0.050 nan 8.230 nan 0.000 0.433 369 K N -0.203 120.236 120.400 0.064 0.000 2.097 369 K HA -0.227 4.095 4.320 0.004 0.000 0.206 369 K C 2.218 178.839 176.600 0.034 0.000 1.049 369 K CA 1.267 57.625 56.287 0.118 0.000 0.933 369 K CB -0.157 32.419 32.500 0.127 0.000 0.717 369 K HN 0.296 nan 8.250 nan 0.000 0.442 370 Q N 0.378 120.180 119.800 0.004 0.000 2.124 370 Q HA -0.100 4.243 4.340 0.004 0.000 0.202 370 Q C 1.371 177.361 176.000 -0.017 0.000 0.977 370 Q CA 1.422 57.220 55.803 -0.008 0.000 0.850 370 Q CB 0.034 28.763 28.738 -0.015 0.000 0.901 370 Q HN 0.308 nan 8.270 nan 0.000 0.429 371 A N -0.417 122.384 122.820 -0.033 0.000 2.337 371 A HA 0.335 4.657 4.320 0.004 0.000 0.227 371 A C 1.181 178.743 177.584 -0.036 0.000 1.259 371 A CA 0.604 52.617 52.037 -0.040 0.000 0.870 371 A CB -0.364 18.599 19.000 -0.060 0.000 0.927 371 A HN 0.536 nan 8.150 nan 0.000 0.497 372 G N -0.226 108.562 108.800 -0.020 0.000 2.249 372 G HA2 -0.256 3.707 3.960 0.004 0.000 0.273 372 G HA3 -0.256 3.707 3.960 0.004 0.000 0.273 372 G C 0.032 174.918 174.900 -0.024 0.000 1.036 372 G CA 0.529 45.620 45.100 -0.016 0.000 0.824 372 G HN 0.524 nan 8.290 nan 0.000 0.504 373 I N 1.376 121.922 120.570 -0.039 0.000 2.337 373 I HA 0.483 4.655 4.170 0.004 0.000 0.291 373 I C 1.155 177.285 176.117 0.021 0.000 1.046 373 I CA -0.182 61.072 61.300 -0.076 0.000 1.324 373 I CB 1.208 39.038 38.000 -0.284 0.000 1.409 373 I HN 0.345 nan 8.210 nan 0.000 0.494 374 A N 7.831 130.662 122.820 0.018 0.000 2.498 374 A HA 0.481 4.804 4.320 0.004 0.000 0.239 374 A C -0.431 177.239 177.584 0.144 0.000 1.068 374 A CA 0.398 52.428 52.037 -0.012 0.000 0.766 374 A CB -0.092 18.895 19.000 -0.021 0.000 1.003 374 A HN 0.708 nan 8.150 nan 0.000 0.497 375 F N -0.568 119.392 119.950 0.016 0.000 2.741 375 F HA 0.819 5.348 4.527 0.004 0.000 0.313 375 F C -0.964 174.742 175.800 -0.155 0.000 1.153 375 F CA -0.977 57.047 58.000 0.040 0.000 0.931 375 F CB 1.255 40.298 39.000 0.072 0.000 1.335 375 F HN 0.601 nan 8.300 nan 0.000 0.460 376 E N 1.711 121.827 120.200 -0.139 0.000 2.416 376 E HA 0.574 4.926 4.350 0.004 0.000 0.273 376 E C -1.980 174.293 176.600 -0.546 0.000 0.935 376 E CA -0.845 55.309 56.400 -0.410 0.000 0.784 376 E CB 2.217 31.543 29.700 -0.624 0.000 1.301 376 E HN 0.815 nan 8.360 nan 0.000 0.454 377 K N 1.795 122.059 120.400 -0.227 0.000 2.502 377 K HA 0.624 4.946 4.320 0.004 0.000 0.257 377 K C -1.849 174.856 176.600 0.175 0.000 0.938 377 K CA -0.742 55.507 56.287 -0.063 0.000 0.819 377 K CB 1.997 34.412 32.500 -0.143 0.000 1.333 377 K HN 0.381 nan 8.250 nan 0.000 0.434 378 V N 2.889 122.887 119.914 0.140 0.000 3.001 378 V HA 0.574 4.697 4.120 0.004 0.000 0.314 378 V C -1.707 174.257 176.094 -0.218 0.000 1.099 378 V CA -0.683 61.680 62.300 0.105 0.000 0.989 378 V CB 2.026 34.004 31.823 0.258 0.000 1.040 378 V HN 0.755 nan 8.190 nan 0.000 0.434 379 Y N 2.324 122.737 120.300 0.187 0.000 2.391 379 Y HA 0.701 5.254 4.550 0.005 0.000 0.341 379 Y C -0.033 175.855 175.900 -0.020 0.000 0.965 379 Y CA -0.864 57.272 58.100 0.061 0.000 1.067 379 Y CB 2.077 40.591 38.460 0.090 0.000 1.199 379 Y HN 0.488 nan 8.280 nan 0.000 0.450 380 V N -0.476 119.452 119.914 0.023 0.000 2.960 380 V HA 0.656 4.779 4.120 0.004 0.000 0.315 380 V C -1.077 174.797 176.094 -0.368 0.000 1.087 380 V CA -0.695 61.569 62.300 -0.061 0.000 0.982 380 V CB 2.419 34.261 31.823 0.033 0.000 1.039 380 V HN 0.807 nan 8.190 nan 0.000 0.437 381 H N 1.835 120.975 119.070 0.117 0.000 2.917 381 H HA 0.628 5.187 4.556 0.005 0.000 0.279 381 H C -0.639 174.703 175.328 0.024 0.000 1.211 381 H CA 0.055 56.135 56.048 0.053 0.000 1.534 381 H CB 1.545 31.350 29.762 0.070 0.000 1.581 381 H HN 0.992 nan 8.280 nan 0.000 0.510 382 T N 0.896 115.484 114.554 0.056 0.000 2.912 382 T HA 0.625 4.977 4.350 0.004 0.000 0.299 382 T C -0.311 174.372 174.700 -0.028 0.000 1.052 382 T CA -0.521 61.585 62.100 0.011 0.000 0.996 382 T CB 1.270 70.120 68.868 -0.030 0.000 1.070 382 T HN 0.591 nan 8.240 nan 0.000 0.465 383 A N 2.865 125.663 122.820 -0.037 0.000 2.567 383 A HA 0.370 4.692 4.320 0.004 0.000 0.240 383 A C 1.670 179.192 177.584 -0.104 0.000 1.053 383 A CA 0.500 52.489 52.037 -0.081 0.000 0.755 383 A CB -0.180 18.774 19.000 -0.077 0.000 0.978 383 A HN 1.430 nan 8.150 nan 0.000 0.507 384 S N 1.690 117.300 115.700 -0.151 0.000 2.447 384 S HA -0.031 4.442 4.470 0.004 0.000 0.233 384 S C 0.705 175.271 174.600 -0.057 0.000 1.006 384 S CA 1.207 59.335 58.200 -0.120 0.000 0.957 384 S CB -0.613 62.509 63.200 -0.131 0.000 0.773 384 S HN 1.090 nan 8.310 nan 0.000 0.507 385 H N -2.094 116.959 119.070 -0.028 0.000 2.948 385 H HA 0.632 5.191 4.556 0.004 0.000 0.315 385 H C -0.678 174.600 175.328 -0.083 0.000 1.360 385 H CA -0.970 55.055 56.048 -0.038 0.000 1.125 385 H CB 0.938 30.670 29.762 -0.051 0.000 1.844 385 H HN 0.134 nan 8.280 nan 0.000 0.529 386 A N 1.229 124.113 122.820 0.106 0.000 2.583 386 A HA -0.060 4.262 4.320 0.004 0.000 0.249 386 A C 1.525 178.978 177.584 -0.218 0.000 1.035 386 A CA 0.891 52.803 52.037 -0.209 0.000 0.777 386 A CB -0.067 18.570 19.000 -0.605 0.000 0.942 386 A HN 0.731 nan 8.150 nan 0.000 0.516 387 S N 1.952 117.566 115.700 -0.143 0.000 2.419 387 S HA -0.182 4.291 4.470 0.004 0.000 0.235 387 S C 1.544 176.181 174.600 0.061 0.000 1.019 387 S CA 2.050 60.240 58.200 -0.016 0.000 0.982 387 S CB -0.534 62.694 63.200 0.047 0.000 0.789 387 S HN 1.019 nan 8.310 nan 0.000 0.490 388 Y N -0.931 119.457 120.300 0.147 0.000 2.583 388 Y HA 0.369 4.921 4.550 0.004 0.000 0.293 388 Y C 0.502 176.481 175.900 0.133 0.000 1.157 388 Y CA -0.949 57.220 58.100 0.114 0.000 1.315 388 Y CB -1.017 37.505 38.460 0.105 0.000 1.021 388 Y HN 0.280 nan 8.280 nan 0.000 0.536 389 Y N 4.469 124.747 120.300 -0.036 0.000 2.323 389 Y HA 0.476 5.029 4.550 0.005 0.000 0.331 389 Y C -2.257 173.702 175.900 0.099 0.000 1.092 389 Y CA -3.573 54.534 58.100 0.012 0.000 1.150 389 Y CB 0.936 39.296 38.460 -0.167 0.000 1.200 389 Y HN -0.090 nan 8.280 nan 0.000 0.472 390 P HA 0.121 nan 4.420 nan 0.000 0.268 390 P C 0.363 177.770 177.300 0.178 0.000 1.208 390 P CA 1.188 64.221 63.100 -0.112 0.000 0.777 390 P CB 0.731 32.284 31.700 -0.245 0.000 0.875 391 G N 0.252 109.126 108.800 0.124 0.000 2.143 391 G HA2 -0.126 3.837 3.960 0.004 0.000 0.249 391 G HA3 -0.126 3.837 3.960 0.004 0.000 0.249 391 G C 0.401 175.302 174.900 0.001 0.000 0.981 391 G CA 0.055 45.229 45.100 0.125 0.000 0.665 391 G HN 0.873 nan 8.290 nan 0.000 0.528 392 A N -0.288 122.439 122.820 -0.155 0.000 2.462 392 A HA 0.606 4.928 4.320 0.004 0.000 0.243 392 A C 0.434 177.874 177.584 -0.241 0.000 1.076 392 A CA 0.452 52.146 52.037 -0.572 0.000 0.773 392 A CB 0.420 19.184 19.000 -0.394 0.000 1.010 392 A HN 0.347 nan 8.150 nan 0.000 0.493 393 E N 0.926 120.994 120.200 -0.221 0.000 2.343 393 E HA 0.391 4.743 4.350 0.004 0.000 0.270 393 E C -1.064 175.471 176.600 -0.108 0.000 0.895 393 E CA -0.811 55.519 56.400 -0.117 0.000 0.767 393 E CB 1.879 31.527 29.700 -0.086 0.000 1.248 393 E HN 0.333 nan 8.360 nan 0.000 0.440 394 V N 1.693 121.559 119.914 -0.080 0.000 2.572 394 V HA 0.097 4.220 4.120 0.004 0.000 0.291 394 V C 0.211 176.250 176.094 -0.092 0.000 1.039 394 V CA -0.324 61.937 62.300 -0.065 0.000 1.055 394 V CB 0.979 32.773 31.823 -0.049 0.000 0.969 394 V HN 0.341 nan 8.190 nan 0.000 0.482 395 V N 4.710 124.581 119.914 -0.071 0.000 2.394 395 V HA 0.334 4.456 4.120 0.004 0.000 0.282 395 V C 0.299 176.365 176.094 -0.048 0.000 1.031 395 V CA -0.192 62.065 62.300 -0.072 0.000 0.881 395 V CB 1.810 33.604 31.823 -0.049 0.000 0.982 395 V HN 0.920 nan 8.190 nan 0.000 0.451 396 S N 5.429 121.057 115.700 -0.120 0.000 2.457 396 S HA 0.683 5.156 4.470 0.004 0.000 0.289 396 S C -0.796 173.808 174.600 0.006 0.000 1.163 396 S CA -0.285 57.854 58.200 -0.101 0.000 1.078 396 S CB 0.674 63.668 63.200 -0.343 0.000 0.987 396 S HN 0.570 nan 8.310 nan 0.000 0.482 397 F N 3.003 122.867 119.950 -0.143 0.000 2.561 397 F HA 0.531 5.060 4.527 0.004 0.000 0.313 397 F C -0.617 175.161 175.800 -0.037 0.000 1.126 397 F CA -0.710 57.239 58.000 -0.084 0.000 0.918 397 F CB 1.262 40.203 39.000 -0.098 0.000 1.199 397 F HN 0.385 nan 8.300 nan 0.000 0.444 398 K N 6.352 126.415 120.400 -0.562 0.000 2.274 398 K HA 0.617 4.939 4.320 0.004 0.000 0.262 398 K C -2.085 174.086 176.600 -0.715 0.000 0.961 398 K CA -0.887 55.096 56.287 -0.507 0.000 0.833 398 K CB 1.545 33.873 32.500 -0.287 0.000 1.102 398 K HN 0.682 nan 8.250 nan 0.000 0.436 399 L N 5.621 126.611 121.223 -0.389 0.000 2.313 399 L HA 0.474 4.817 4.340 0.004 0.000 0.283 399 L C -1.777 175.130 176.870 0.062 0.000 1.013 399 L CA -0.631 54.125 54.840 -0.140 0.000 0.816 399 L CB 1.301 43.423 42.059 0.104 0.000 1.236 399 L HN 0.552 nan 8.230 nan 0.000 0.419 400 L N 6.646 127.915 121.223 0.076 0.000 2.322 400 L HA 0.724 5.067 4.340 0.004 0.000 0.281 400 L C -0.725 176.290 176.870 0.241 0.000 1.014 400 L CA -0.161 54.739 54.840 0.099 0.000 0.815 400 L CB 1.473 43.505 42.059 -0.044 0.000 1.247 400 L HN 0.581 nan 8.230 nan 0.000 0.421 401 F N -1.190 118.816 119.950 0.093 0.000 2.668 401 F HA 0.456 4.985 4.527 0.004 0.000 0.309 401 F C -0.581 175.115 175.800 -0.173 0.000 1.117 401 F CA -1.348 56.514 58.000 -0.229 0.000 0.951 401 F CB 0.959 39.863 39.000 -0.160 0.000 1.323 401 F HN 0.364 nan 8.300 nan 0.000 0.451 402 D N 4.017 124.156 120.400 -0.435 0.000 2.342 402 D HA 0.154 4.797 4.640 0.004 0.000 0.260 402 D C -1.539 174.861 176.300 0.167 0.000 1.278 402 D CA -1.678 52.304 54.000 -0.031 0.000 0.910 402 D CB 1.376 42.127 40.800 -0.082 0.000 1.079 402 D HN 0.396 nan 8.370 nan 0.000 0.496 403 P HA -0.120 nan 4.420 nan 0.000 0.231 403 P C 1.214 178.610 177.300 0.161 0.000 1.158 403 P CA 0.598 63.817 63.100 0.197 0.000 0.763 403 P CB 0.319 32.053 31.700 0.057 0.000 0.805 404 V N -1.791 118.194 119.914 0.119 0.000 2.784 404 V HA 0.124 4.246 4.120 0.004 0.000 0.231 404 V C 2.163 178.302 176.094 0.075 0.000 1.128 404 V CA 0.539 62.893 62.300 0.089 0.000 1.178 404 V CB -1.212 30.653 31.823 0.070 0.000 0.943 404 V HN -0.122 nan 8.190 nan 0.000 0.500 405 K N 1.451 121.889 120.400 0.063 0.000 2.366 405 K HA 0.260 4.583 4.320 0.004 0.000 0.198 405 K C 1.583 178.194 176.600 0.018 0.000 1.044 405 K CA 0.965 57.275 56.287 0.038 0.000 0.973 405 K CB -0.221 32.300 32.500 0.035 0.000 0.767 405 K HN 0.953 nan 8.250 nan 0.000 0.475 406 G N 2.046 110.863 108.800 0.029 0.000 2.162 406 G HA2 -0.273 3.690 3.960 0.004 0.000 0.260 406 G HA3 -0.273 3.690 3.960 0.004 0.000 0.260 406 G C 0.201 175.057 174.900 -0.072 0.000 0.976 406 G CA 0.472 45.577 45.100 0.009 0.000 0.655 406 G HN 0.316 nan 8.290 nan 0.000 0.533 407 T N 0.984 115.455 114.554 -0.139 0.000 2.923 407 T HA 0.303 4.656 4.350 0.004 0.000 0.304 407 T C 1.039 175.499 174.700 -0.400 0.000 1.044 407 T CA 0.444 62.398 62.100 -0.244 0.000 1.141 407 T CB 1.008 69.679 68.868 -0.329 0.000 1.023 407 T HN 0.371 nan 8.240 nan 0.000 0.533 408 I N 3.248 123.691 120.570 -0.212 0.000 2.325 408 I HA 0.179 4.352 4.170 0.004 0.000 0.291 408 I C 0.462 176.536 176.117 -0.072 0.000 1.019 408 I CA -0.423 60.796 61.300 -0.134 0.000 1.302 408 I CB 0.800 38.790 38.000 -0.016 0.000 1.401 408 I HN 0.594 nan 8.210 nan 0.000 0.485 409 F N 3.858 123.862 119.950 0.090 0.000 2.387 409 F HA 0.337 4.866 4.527 0.004 0.000 0.294 409 F C 1.403 177.203 175.800 -0.000 0.000 1.093 409 F CA -0.285 57.738 58.000 0.038 0.000 1.420 409 F CB -0.260 38.735 39.000 -0.008 0.000 1.086 409 F HN 0.511 nan 8.300 nan 0.000 0.531 410 G N -1.147 107.740 108.800 0.145 0.000 2.387 410 G HA2 0.610 4.573 3.960 0.004 0.000 0.294 410 G HA3 0.610 4.573 3.960 0.004 0.000 0.294 410 G C -2.135 172.734 174.900 -0.052 0.000 1.509 410 G CA -0.178 44.941 45.100 0.032 0.000 0.806 410 G HN 0.311 nan 8.290 nan 0.000 0.546 411 A N -0.068 122.681 122.820 -0.118 0.000 2.574 411 A HA 0.898 5.220 4.320 0.004 0.000 0.297 411 A C -0.880 176.538 177.584 -0.277 0.000 1.062 411 A CA -0.538 51.325 52.037 -0.290 0.000 0.686 411 A CB 1.909 20.763 19.000 -0.243 0.000 1.285 411 A HN 0.765 nan 8.150 nan 0.000 0.403 412 Q N -0.178 119.373 119.800 -0.415 0.000 2.359 412 Q HA 0.751 5.093 4.340 0.004 0.000 0.274 412 Q C -0.782 175.054 176.000 -0.273 0.000 1.074 412 Q CA -0.696 54.965 55.803 -0.237 0.000 0.810 412 Q CB 2.714 31.365 28.738 -0.144 0.000 1.342 412 Q HN 1.360 nan 8.270 nan 0.000 0.427 413 A N 1.308 124.074 122.820 -0.092 0.000 2.549 413 A HA 0.849 5.171 4.320 0.004 0.000 0.297 413 A C -1.444 176.126 177.584 -0.024 0.000 1.061 413 A CA -0.559 51.477 52.037 -0.000 0.000 0.690 413 A CB 1.687 20.800 19.000 0.189 0.000 1.287 413 A HN 0.378 nan 8.150 nan 0.000 0.402 414 V N 0.731 120.595 119.914 -0.082 0.000 2.733 414 V HA 0.919 5.042 4.120 0.004 0.000 0.306 414 V C 0.451 176.424 176.094 -0.202 0.000 1.084 414 V CA 0.395 62.615 62.300 -0.134 0.000 0.905 414 V CB 1.397 33.112 31.823 -0.181 0.000 1.010 414 V HN 2.162 nan 8.190 nan 0.000 0.424 415 G N 3.456 112.178 108.800 -0.131 0.000 2.333 415 G HA2 0.235 4.198 3.960 0.004 0.000 0.288 415 G HA3 0.235 4.198 3.960 0.004 0.000 0.288 415 G C -0.480 174.385 174.900 -0.059 0.000 1.286 415 G CA -0.492 44.528 45.100 -0.134 0.000 0.865 415 G HN 0.478 nan 8.290 nan 0.000 0.506 416 K N -0.553 119.818 120.400 -0.049 0.000 2.367 416 K HA 0.269 4.592 4.320 0.004 0.000 0.194 416 K C -0.404 176.192 176.600 -0.006 0.000 1.027 416 K CA 0.562 56.842 56.287 -0.013 0.000 1.075 416 K CB 0.393 32.888 32.500 -0.008 0.000 0.845 416 K HN 0.434 nan 8.250 nan 0.000 0.529 417 D N -2.068 118.320 120.400 -0.020 0.000 2.717 417 D HA 0.270 4.913 4.640 0.004 0.000 0.223 417 D C -0.092 176.203 176.300 -0.008 0.000 1.240 417 D CA 0.290 54.288 54.000 -0.005 0.000 0.801 417 D CB 1.433 42.228 40.800 -0.008 0.000 1.556 417 D HN 0.041 nan 8.370 nan 0.000 0.462 418 G N 2.135 110.943 108.800 0.014 0.000 2.168 418 G HA2 -0.278 3.685 3.960 0.004 0.000 0.257 418 G HA3 -0.278 3.685 3.960 0.004 0.000 0.257 418 G C 1.015 175.917 174.900 0.002 0.000 0.997 418 G CA 0.546 45.654 45.100 0.013 0.000 0.708 418 G HN 0.448 nan 8.290 nan 0.000 0.520 419 I N 2.006 122.578 120.570 0.003 0.000 2.233 419 I HA -0.058 4.114 4.170 0.004 0.000 0.243 419 I C 2.702 178.828 176.117 0.014 0.000 1.093 419 I CA 2.057 63.364 61.300 0.012 0.000 1.380 419 I CB -1.160 36.842 38.000 0.004 0.000 1.067 419 I HN 0.443 nan 8.210 nan 0.000 0.413 420 D N 1.576 121.978 120.400 0.002 0.000 2.190 420 D HA -0.292 4.351 4.640 0.004 0.000 0.200 420 D C 1.947 178.244 176.300 -0.006 0.000 0.992 420 D CA 1.509 55.505 54.000 -0.006 0.000 0.854 420 D CB -0.558 40.233 40.800 -0.016 0.000 0.936 420 D HN 0.392 nan 8.370 nan 0.000 0.462 421 K N 0.143 120.540 120.400 -0.005 0.000 2.062 421 K HA -0.076 4.246 4.320 0.004 0.000 0.205 421 K C 2.187 178.779 176.600 -0.014 0.000 1.051 421 K CA 0.534 56.813 56.287 -0.014 0.000 0.941 421 K CB 0.161 32.653 32.500 -0.013 0.000 0.719 421 K HN -0.150 nan 8.250 nan 0.000 0.440 422 R N 0.854 121.353 120.500 -0.002 0.000 2.075 422 R HA 0.021 4.363 4.340 0.004 0.000 0.232 422 R C 2.133 178.489 176.300 0.093 0.000 1.126 422 R CA 0.911 57.018 56.100 0.012 0.000 0.963 422 R CB -0.590 29.721 30.300 0.019 0.000 0.858 422 R HN 0.267 nan 8.270 nan 0.000 0.435 423 I N 1.089 121.710 120.570 0.085 0.000 2.286 423 I HA -0.215 3.957 4.170 0.004 0.000 0.248 423 I C 1.087 177.215 176.117 0.018 0.000 1.115 423 I CA 1.480 62.816 61.300 0.060 0.000 1.392 423 I CB -1.010 37.006 38.000 0.026 0.000 1.065 423 I HN 0.089 nan 8.210 nan 0.000 0.418 424 D N 0.570 120.969 120.400 -0.001 0.000 2.117 424 D HA -0.040 4.602 4.640 0.004 0.000 0.198 424 D C 1.406 177.691 176.300 -0.026 0.000 0.982 424 D CA 0.426 54.413 54.000 -0.023 0.000 0.828 424 D CB -0.146 40.637 40.800 -0.029 0.000 0.967 424 D HN 0.014 nan 8.370 nan 0.000 0.464 428 V N 1.242 121.107 119.914 -0.082 0.000 2.453 428 V HA -0.041 4.081 4.120 0.004 0.000 0.247 428 V C 2.948 178.997 176.094 -0.076 0.000 1.048 428 V CA 2.375 64.624 62.300 -0.085 0.000 1.049 428 V CB -0.934 30.853 31.823 -0.061 0.000 0.672 428 V HN 0.706 nan 8.190 nan 0.000 0.457 429 A N -0.375 122.413 122.820 -0.053 0.000 1.898 429 A HA -0.293 4.030 4.320 0.004 0.000 0.216 429 A C 2.271 179.835 177.584 -0.032 0.000 1.181 429 A CA 2.067 54.083 52.037 -0.036 0.000 0.620 429 A CB -0.522 18.462 19.000 -0.026 0.000 0.819 429 A HN 0.600 nan 8.150 nan 0.000 0.442 430 Q N -0.469 119.302 119.800 -0.048 0.000 2.050 430 Q HA -0.231 4.112 4.340 0.004 0.000 0.202 430 Q C 2.323 178.274 176.000 -0.081 0.000 0.980 430 Q CA 1.850 57.634 55.803 -0.031 0.000 0.840 430 Q CB -0.194 28.519 28.738 -0.042 0.000 0.898 430 Q HN 0.647 nan 8.270 nan 0.000 0.424 431 R N -0.349 119.989 120.500 -0.271 0.000 2.091 431 R HA -0.119 4.223 4.340 0.004 0.000 0.238 431 R C 1.938 178.207 176.300 -0.051 0.000 1.136 431 R CA 1.408 57.260 56.100 -0.413 0.000 0.959 431 R CB -0.335 29.718 30.300 -0.412 0.000 0.856 431 R HN 0.347 nan 8.270 nan 0.000 0.437 432 A N 0.022 122.824 122.820 -0.029 0.000 2.206 432 A HA 0.255 4.578 4.320 0.004 0.000 0.211 432 A C 0.844 178.461 177.584 0.055 0.000 1.158 432 A CA 0.838 52.888 52.037 0.021 0.000 0.761 432 A CB -0.462 18.535 19.000 -0.006 0.000 0.801 432 A HN 0.652 nan 8.150 nan 0.000 0.473 436 V N -0.229 119.623 119.914 -0.104 0.000 2.407 436 V HA -0.078 4.044 4.120 0.004 0.000 0.248 436 V C 2.232 178.244 176.094 -0.137 0.000 1.055 436 V CA 1.952 64.147 62.300 -0.175 0.000 1.049 436 V CB -1.107 30.486 31.823 -0.382 0.000 0.662 436 V HN 0.859 nan 8.190 nan 0.000 0.455 437 E N 0.752 120.906 120.200 -0.078 0.000 2.118 437 E HA -0.274 4.078 4.350 0.004 0.000 0.195 437 E C 2.288 178.914 176.600 0.043 0.000 0.992 437 E CA 1.967 58.355 56.400 -0.021 0.000 0.804 437 E CB -0.383 29.338 29.700 0.035 0.000 0.741 437 E HN 0.801 nan 8.360 nan 0.000 0.458 438 Q N 0.419 120.264 119.800 0.076 0.000 2.167 438 Q HA -0.005 4.338 4.340 0.004 0.000 0.202 438 Q C 2.420 178.474 176.000 0.090 0.000 0.970 438 Q CA 0.531 56.437 55.803 0.172 0.000 0.855 438 Q CB -0.108 28.678 28.738 0.079 0.000 0.911 438 Q HN 0.254 nan 8.270 nan 0.000 0.438 439 L N 0.694 121.892 121.223 -0.042 0.000 2.187 439 L HA -0.247 4.096 4.340 0.004 0.000 0.213 439 L C 2.245 178.981 176.870 -0.223 0.000 1.100 439 L CA 1.113 55.883 54.840 -0.117 0.000 0.765 439 L CB -0.360 41.608 42.059 -0.150 0.000 0.904 439 L HN 0.353 nan 8.230 nan 0.000 0.437 440 Q N -0.689 118.930 119.800 -0.303 0.000 2.170 440 Q HA -0.212 4.130 4.340 0.004 0.000 0.203 440 Q C 1.614 177.375 176.000 -0.399 0.000 0.976 440 Q CA 1.521 57.026 55.803 -0.497 0.000 0.858 440 Q CB -0.128 28.338 28.738 -0.454 0.000 0.907 440 Q HN 0.669 nan 8.270 nan 0.000 0.433 441 H N -0.511 118.524 119.070 -0.059 0.000 2.547 441 H HA 0.150 4.709 4.556 0.004 0.000 0.266 441 H C 0.047 175.348 175.328 -0.046 0.000 0.988 441 H CA -0.309 55.726 56.048 -0.022 0.000 1.147 441 H CB 0.033 29.791 29.762 -0.006 0.000 1.365 441 H HN 0.074 nan 8.280 nan 0.000 0.589 442 L N 1.603 122.819 121.223 -0.012 0.000 2.514 442 L HA -0.031 4.312 4.340 0.004 0.000 0.280 442 L C 0.662 177.517 176.870 -0.024 0.000 1.223 442 L CA 0.559 55.382 54.840 -0.029 0.000 0.864 442 L CB 0.500 42.513 42.059 -0.078 0.000 1.118 442 L HN 0.386 nan 8.230 nan 0.000 0.494 443 E N 4.636 124.832 120.200 -0.007 0.000 2.376 443 E HA 0.372 4.725 4.350 0.004 0.000 0.236 443 E C -1.028 175.571 176.600 -0.003 0.000 0.962 443 E CA -0.390 56.013 56.400 0.004 0.000 0.768 443 E CB 0.590 30.301 29.700 0.018 0.000 1.236 443 E HN 0.465 nan 8.360 nan 0.000 0.431 444 L N 1.351 122.569 121.223 -0.008 0.000 2.387 444 L HA 0.424 4.767 4.340 0.004 0.000 0.266 444 L C 0.573 177.464 176.870 0.034 0.000 1.059 444 L CA -1.093 53.744 54.840 -0.006 0.000 0.801 444 L CB 1.606 43.647 42.059 -0.031 0.000 1.223 444 L HN 0.311 nan 8.230 nan 0.000 0.456 445 S N 0.361 116.077 115.700 0.028 0.000 2.544 445 S HA 0.052 4.524 4.470 0.004 0.000 0.290 445 S C -0.757 173.932 174.600 0.149 0.000 1.276 445 S CA 0.152 58.381 58.200 0.047 0.000 1.075 445 S CB -0.304 62.891 63.200 -0.008 0.000 0.849 445 S HN 0.420 nan 8.310 nan 0.000 0.494 446 Y N 2.305 122.611 120.300 0.009 0.000 2.332 446 Y HA 0.559 5.112 4.550 0.004 0.000 0.326 446 Y C -0.411 175.509 175.900 0.032 0.000 0.978 446 Y CA -0.666 57.447 58.100 0.021 0.000 1.205 446 Y CB 0.400 38.870 38.460 0.017 0.000 1.131 446 Y HN 0.734 nan 8.280 nan 0.000 0.462 447 A N 6.573 129.078 122.820 -0.525 0.000 2.498 447 A HA 0.608 4.931 4.320 0.004 0.000 0.298 447 A C -2.506 174.680 177.584 -0.663 0.000 1.075 447 A CA -2.056 49.535 52.037 -0.743 0.000 0.714 447 A CB 1.583 20.431 19.000 -0.252 0.000 1.299 447 A HN 0.554 nan 8.150 nan 0.000 0.407 448 P HA -0.121 nan 4.420 nan 0.000 0.217 448 P C -1.565 175.138 177.300 -0.995 0.000 1.151 448 P CA 1.847 64.640 63.100 -0.512 0.000 0.849 448 P CB -0.710 30.812 31.700 -0.297 0.000 0.787 449 P HA -0.063 nan 4.420 nan 0.000 0.233 449 P C 0.459 176.983 177.300 -1.294 0.000 1.167 449 P CA 1.323 63.334 63.100 -1.815 0.000 0.770 449 P CB -0.268 30.338 31.700 -1.823 0.000 0.837 450 Y N -2.251 117.808 120.300 -0.402 0.000 2.441 450 Y HA 0.491 5.044 4.550 0.004 0.000 0.266 450 Y C 1.500 177.403 175.900 0.006 0.000 1.093 450 Y CA 0.010 58.021 58.100 -0.149 0.000 1.246 450 Y CB 0.237 38.614 38.460 -0.139 0.000 1.262 450 Y HN -0.139 nan 8.280 nan 0.000 0.518 451 G N -0.451 108.471 108.800 0.203 0.000 2.731 451 G HA2 0.517 4.479 3.960 0.004 0.000 0.309 451 G HA3 0.517 4.479 3.960 0.004 0.000 0.309 451 G C -1.304 173.787 174.900 0.318 0.000 1.273 451 G CA -0.234 45.019 45.100 0.255 0.000 0.798 451 G HN 0.118 nan 8.290 nan 0.000 0.509 452 S N -1.886 113.893 115.700 0.132 0.000 2.556 452 S HA 0.665 5.138 4.470 0.004 0.000 0.271 452 S C 1.151 175.365 174.600 -0.643 0.000 1.135 452 S CA 0.716 58.785 58.200 -0.218 0.000 0.858 452 S CB 1.442 64.580 63.200 -0.104 0.000 1.114 452 S HN 2.029 nan 8.310 nan 0.000 0.468 453 A N 1.821 124.012 122.820 -1.048 0.000 1.892 453 A HA 0.019 4.341 4.320 0.004 0.000 0.218 453 A C 0.939 178.357 177.584 -0.277 0.000 1.188 453 A CA 1.390 52.985 52.037 -0.737 0.000 0.631 453 A CB -0.681 18.050 19.000 -0.449 0.000 0.822 453 A HN 0.778 nan 8.150 nan 0.000 0.447 454 K N 0.661 120.953 120.400 -0.180 0.000 2.263 454 K HA 0.318 4.641 4.320 0.004 0.000 0.272 454 K C -1.174 175.353 176.600 -0.122 0.000 1.033 454 K CA -0.449 55.787 56.287 -0.085 0.000 0.884 454 K CB 1.154 33.665 32.500 0.018 0.000 1.107 454 K HN 0.377 nan 8.250 nan 0.000 0.460 455 D N 1.460 121.775 120.400 -0.142 0.000 2.357 455 D HA -0.028 4.615 4.640 0.004 0.000 0.242 455 D C 1.393 177.569 176.300 -0.208 0.000 1.153 455 D CA -0.079 53.827 54.000 -0.157 0.000 0.918 455 D CB 1.027 41.731 40.800 -0.160 0.000 1.181 455 D HN 0.149 nan 8.370 nan 0.000 0.435 456 V N 2.702 122.484 119.914 -0.221 0.000 2.251 456 V HA -0.349 3.773 4.120 0.004 0.000 0.259 456 V C 2.123 177.920 176.094 -0.494 0.000 1.078 456 V CA 1.636 63.737 62.300 -0.330 0.000 1.072 456 V CB -0.643 30.947 31.823 -0.387 0.000 0.681 456 V HN 0.643 nan 8.190 nan 0.000 0.454 457 I N 0.076 120.335 120.570 -0.518 0.000 2.252 457 I HA -0.155 4.018 4.170 0.004 0.000 0.245 457 I C 2.156 178.018 176.117 -0.425 0.000 1.102 457 I CA 1.666 62.645 61.300 -0.535 0.000 1.385 457 I CB -1.878 35.900 38.000 -0.370 0.000 1.064 457 I HN 0.451 nan 8.210 nan 0.000 0.414 458 N N 0.533 118.988 118.700 -0.409 0.000 2.084 458 N HA -0.199 4.544 4.740 0.004 0.000 0.190 458 N C 1.800 176.859 175.510 -0.750 0.000 1.030 458 N CA 1.050 53.733 53.050 -0.612 0.000 0.849 458 N CB -0.106 38.074 38.487 -0.512 0.000 1.012 458 N HN 0.355 nan 8.380 nan 0.000 0.423 459 Q N 0.593 120.166 119.800 -0.379 0.000 2.096 459 Q HA -0.089 4.253 4.340 0.004 0.000 0.204 459 Q C 2.253 178.176 176.000 -0.129 0.000 0.982 459 Q CA 1.464 57.188 55.803 -0.132 0.000 0.850 459 Q CB -0.520 28.197 28.738 -0.035 0.000 0.901 459 Q HN 0.466 nan 8.270 nan 0.000 0.422 460 A N 1.193 123.903 122.820 -0.185 0.000 1.933 460 A HA -0.078 4.245 4.320 0.004 0.000 0.218 460 A C 2.357 179.862 177.584 -0.131 0.000 1.175 460 A CA 1.891 53.886 52.037 -0.069 0.000 0.628 460 A CB -0.629 18.413 19.000 0.070 0.000 0.814 460 A HN 0.377 nan 8.150 nan 0.000 0.444 461 A N -0.984 121.670 122.820 -0.276 0.000 1.930 461 A HA 0.063 4.386 4.320 0.004 0.000 0.217 461 A C 1.874 179.325 177.584 -0.220 0.000 1.175 461 A CA 1.486 53.338 52.037 -0.309 0.000 0.627 461 A CB -0.692 18.066 19.000 -0.402 0.000 0.815 461 A HN 0.434 nan 8.150 nan 0.000 0.443 462 F N 0.028 119.904 119.950 -0.123 0.000 2.134 462 F HA -0.114 4.416 4.527 0.004 0.000 0.299 462 F C 2.457 178.210 175.800 -0.078 0.000 1.097 462 F CA 1.036 58.975 58.000 -0.101 0.000 1.264 462 F CB -1.112 37.842 39.000 -0.078 0.000 1.001 462 F HN 0.024 nan 8.300 nan 0.000 0.479 463 V N -0.084 119.905 119.914 0.125 0.000 2.427 463 V HA -0.242 3.880 4.120 0.004 0.000 0.248 463 V C 2.552 178.662 176.094 0.026 0.000 1.051 463 V CA 1.640 63.988 62.300 0.080 0.000 1.048 463 V CB -1.413 30.465 31.823 0.092 0.000 0.666 463 V HN 0.345 nan 8.190 nan 0.000 0.456 464 A N -0.557 122.209 122.820 -0.090 0.000 1.897 464 A HA -0.135 4.187 4.320 0.004 0.000 0.215 464 A C 2.481 179.925 177.584 -0.234 0.000 1.181 464 A CA 1.851 53.708 52.037 -0.301 0.000 0.620 464 A CB -0.574 17.869 19.000 -0.928 0.000 0.821 464 A HN 0.473 nan 8.150 nan 0.000 0.443 465 S N 0.839 116.444 115.700 -0.159 0.000 2.382 465 S HA -0.156 4.316 4.470 0.004 0.000 0.228 465 S C 1.876 176.481 174.600 0.009 0.000 1.027 465 S CA 1.350 59.509 58.200 -0.068 0.000 0.991 465 S CB -0.457 62.734 63.200 -0.016 0.000 0.823 465 S HN 0.659 nan 8.310 nan 0.000 0.469 466 N N 1.720 120.439 118.700 0.031 0.000 2.104 466 N HA -0.044 4.699 4.740 0.004 0.000 0.190 466 N C 1.607 177.149 175.510 0.053 0.000 1.024 466 N CA 1.080 54.156 53.050 0.044 0.000 0.853 466 N CB -0.542 37.971 38.487 0.042 0.000 1.008 466 N HN 0.401 nan 8.380 nan 0.000 0.424 467 I N 0.881 121.492 120.570 0.067 0.000 2.142 467 I HA -0.231 3.942 4.170 0.004 0.000 0.240 467 I C 2.055 178.248 176.117 0.126 0.000 1.078 467 I CA 0.980 62.346 61.300 0.110 0.000 1.343 467 I CB -0.243 37.881 38.000 0.207 0.000 1.046 467 I HN 0.039 nan 8.210 nan 0.000 0.405 468 I N 0.525 121.176 120.570 0.135 0.000 2.208 468 I HA -0.291 3.881 4.170 0.004 0.000 0.245 468 I C 2.080 178.247 176.117 0.084 0.000 1.097 468 I CA 1.579 62.954 61.300 0.126 0.000 1.363 468 I CB -0.287 37.769 38.000 0.094 0.000 1.051 468 I HN 0.148 nan 8.210 nan 0.000 0.413 469 K N 0.490 120.930 120.400 0.067 0.000 2.487 469 K HA 0.114 4.437 4.320 0.004 0.000 0.192 469 K C 1.190 177.831 176.600 0.067 0.000 1.027 469 K CA 0.641 56.964 56.287 0.060 0.000 1.054 469 K CB 0.178 32.708 32.500 0.050 0.000 0.824 469 K HN 0.450 nan 8.250 nan 0.000 0.510 470 G N 1.472 110.319 108.800 0.078 0.000 2.148 470 G HA2 -0.250 3.713 3.960 0.004 0.000 0.254 470 G HA3 -0.250 3.713 3.960 0.004 0.000 0.254 470 G C 0.292 175.262 174.900 0.116 0.000 0.981 470 G CA 0.515 45.669 45.100 0.090 0.000 0.670 470 G HN 0.328 nan 8.290 nan 0.000 0.528 471 D N 0.265 120.732 120.400 0.110 0.000 2.349 471 D HA 0.435 5.077 4.640 0.004 0.000 0.215 471 D C 1.289 177.707 176.300 0.197 0.000 1.016 471 D CA 1.272 55.360 54.000 0.146 0.000 0.870 471 D CB 0.494 41.351 40.800 0.095 0.000 0.917 471 D HN 0.925 nan 8.370 nan 0.000 0.524 472 A N -0.271 122.595 122.820 0.076 0.000 2.539 472 A HA 0.637 4.959 4.320 0.004 0.000 0.296 472 A C -0.733 176.762 177.584 -0.148 0.000 1.073 472 A CA -0.535 51.382 52.037 -0.201 0.000 0.700 472 A CB 1.801 20.687 19.000 -0.190 0.000 1.296 472 A HN -0.094 nan 8.150 nan 0.000 0.405 473 T N 3.905 118.245 114.554 -0.356 0.000 2.864 473 T HA 0.650 5.002 4.350 0.004 0.000 0.299 473 T C -2.924 171.697 174.700 -0.132 0.000 1.011 473 T CA -0.938 61.119 62.100 -0.071 0.000 0.975 473 T CB 1.560 70.519 68.868 0.150 0.000 0.962 473 T HN 0.521 nan 8.240 nan 0.000 0.448 474 P HA 0.644 nan 4.420 nan 0.000 0.285 474 P C -0.730 176.467 177.300 -0.172 0.000 1.269 474 P CA -0.829 62.177 63.100 -0.157 0.000 0.844 474 P CB 1.592 33.194 31.700 -0.164 0.000 1.094 475 I N 0.648 121.094 120.570 -0.207 0.000 2.934 475 I HA 0.436 4.609 4.170 0.004 0.000 0.306 475 I C -0.686 175.259 176.117 -0.287 0.000 1.110 475 I CA -0.957 60.230 61.300 -0.188 0.000 1.019 475 I CB 1.947 39.931 38.000 -0.026 0.000 1.227 475 I HN 0.331 nan 8.210 nan 0.000 0.434 476 H N 4.542 123.657 119.070 0.074 0.000 2.737 476 H HA 0.282 4.840 4.556 0.004 0.000 0.358 476 H C 0.216 175.575 175.328 0.052 0.000 1.187 476 H CA -0.307 55.798 56.048 0.095 0.000 1.221 476 H CB 1.542 31.297 29.762 -0.012 0.000 1.799 476 H HN 0.656 nan 8.280 nan 0.000 0.568 477 F N 0.568 120.697 119.950 0.299 0.000 2.202 477 F HA -0.161 4.369 4.527 0.005 0.000 0.301 477 F C 1.306 177.204 175.800 0.163 0.000 1.082 477 F CA 1.134 59.273 58.000 0.232 0.000 1.313 477 F CB -0.313 38.757 39.000 0.117 0.000 1.024 477 F HN 0.351 nan 8.300 nan 0.000 0.495 478 D N -0.060 120.006 120.400 -0.556 0.000 2.328 478 D HA -0.048 4.594 4.640 0.004 0.000 0.221 478 D C 1.256 177.483 176.300 -0.123 0.000 1.072 478 D CA 0.250 54.042 54.000 -0.345 0.000 0.850 478 D CB -0.435 40.050 40.800 -0.526 0.000 0.922 478 D HN 0.572 nan 8.370 nan 0.000 0.516 479 Q N -0.384 119.389 119.800 -0.045 0.000 2.280 479 Q HA 0.338 4.680 4.340 0.004 0.000 0.228 479 Q C 1.761 177.786 176.000 0.042 0.000 0.857 479 Q CA -0.152 55.653 55.803 0.003 0.000 0.939 479 Q CB 1.203 29.949 28.738 0.012 0.000 1.114 479 Q HN 0.216 nan 8.270 nan 0.000 0.514 480 I N 0.777 121.398 120.570 0.084 0.000 3.427 480 I HA -0.086 4.087 4.170 0.004 0.000 0.288 480 I C 0.652 176.807 176.117 0.064 0.000 1.249 480 I CA 0.541 61.882 61.300 0.068 0.000 1.421 480 I CB 0.467 38.497 38.000 0.050 0.000 1.086 480 I HN 0.059 nan 8.210 nan 0.000 0.448 481 D N 1.184 121.651 120.400 0.113 0.000 2.348 481 D HA -0.116 4.526 4.640 0.004 0.000 0.216 481 D C 0.545 176.876 176.300 0.052 0.000 0.970 481 D CA 0.715 54.769 54.000 0.091 0.000 0.889 481 D CB -0.245 40.627 40.800 0.119 0.000 0.912 481 D HN 0.285 nan 8.370 nan 0.000 0.524 482 N N 0.803 119.528 118.700 0.042 0.000 2.990 482 N HA 0.080 4.822 4.740 0.004 0.000 0.288 482 N C -1.209 174.317 175.510 0.027 0.000 1.624 482 N CA -0.312 52.756 53.050 0.029 0.000 0.961 482 N CB -0.110 38.390 38.487 0.022 0.000 1.259 482 N HN -0.203 nan 8.380 nan 0.000 0.489 483 L N 0.976 122.216 121.223 0.029 0.000 2.357 483 L HA 0.502 4.844 4.340 0.004 0.000 0.273 483 L C 0.920 177.806 176.870 0.027 0.000 1.080 483 L CA -0.262 54.596 54.840 0.030 0.000 0.803 483 L CB 1.359 43.438 42.059 0.033 0.000 1.174 483 L HN 0.493 nan 8.230 nan 0.000 0.443 484 S N 0.999 116.716 115.700 0.028 0.000 2.719 484 S HA 0.352 4.824 4.470 0.004 0.000 0.285 484 S C 0.716 175.332 174.600 0.026 0.000 1.137 484 S CA -0.521 57.694 58.200 0.024 0.000 1.012 484 S CB 0.810 64.023 63.200 0.023 0.000 1.134 484 S HN 0.634 nan 8.310 nan 0.000 0.544 485 E N 0.346 120.560 120.200 0.023 0.000 2.358 485 E HA -0.088 4.264 4.350 0.004 0.000 0.195 485 E C 0.356 176.971 176.600 0.026 0.000 1.010 485 E CA 0.694 57.108 56.400 0.023 0.000 0.856 485 E CB -0.044 29.667 29.700 0.019 0.000 0.795 485 E HN 0.783 nan 8.360 nan 0.000 0.504 486 D N 0.457 120.874 120.400 0.027 0.000 2.561 486 D HA -0.014 4.629 4.640 0.004 0.000 0.232 486 D C -0.324 176.001 176.300 0.042 0.000 1.198 486 D CA -0.008 54.012 54.000 0.032 0.000 0.826 486 D CB 0.141 40.958 40.800 0.028 0.000 0.992 486 D HN 0.068 nan 8.370 nan 0.000 0.490 487 Q N 0.292 120.118 119.800 0.043 0.000 2.375 487 Q HA 0.528 4.870 4.340 0.004 0.000 0.271 487 Q C -1.507 174.524 176.000 0.052 0.000 1.074 487 Q CA -1.060 54.775 55.803 0.053 0.000 0.808 487 Q CB 2.854 31.623 28.738 0.051 0.000 1.327 487 Q HN 0.135 nan 8.270 nan 0.000 0.441 488 L N 3.184 124.443 121.223 0.060 0.000 2.372 488 L HA 0.415 4.758 4.340 0.004 0.000 0.273 488 L C -1.711 175.200 176.870 0.068 0.000 0.989 488 L CA -0.742 54.131 54.840 0.055 0.000 0.841 488 L CB 1.517 43.607 42.059 0.051 0.000 1.225 488 L HN 0.588 nan 8.230 nan 0.000 0.414 489 L N 5.742 127.012 121.223 0.078 0.000 2.418 489 L HA 0.378 4.720 4.340 0.004 0.000 0.274 489 L C -1.099 175.848 176.870 0.128 0.000 1.135 489 L CA 0.622 55.539 54.840 0.128 0.000 0.870 489 L CB 0.390 42.526 42.059 0.127 0.000 1.154 489 L HN 0.665 nan 8.230 nan 0.000 0.462 490 L N 5.132 126.430 121.223 0.125 0.000 2.349 490 L HA 0.440 4.782 4.340 0.004 0.000 0.278 490 L C -1.095 175.674 176.870 -0.168 0.000 0.996 490 L CA -0.599 54.242 54.840 0.000 0.000 0.825 490 L CB 1.653 43.691 42.059 -0.034 0.000 1.243 490 L HN 0.598 nan 8.230 nan 0.000 0.412 491 D N 3.447 123.632 120.400 -0.358 0.000 2.274 491 D HA 0.187 4.829 4.640 0.004 0.000 0.239 491 D C 0.549 176.561 176.300 -0.480 0.000 1.104 491 D CA -0.255 53.217 54.000 -0.880 0.000 0.840 491 D CB 1.972 42.376 40.800 -0.660 0.000 1.100 491 D HN 0.370 nan 8.370 nan 0.000 0.477 492 V N 1.849 121.496 119.914 -0.446 0.000 3.444 492 V HA 0.373 4.496 4.120 0.004 0.000 0.308 492 V C 0.852 176.833 176.094 -0.188 0.000 1.371 492 V CA -0.338 61.823 62.300 -0.233 0.000 1.141 492 V CB -0.552 31.180 31.823 -0.152 0.000 1.037 492 V HN 0.243 nan 8.190 nan 0.000 0.433 493 R N 1.087 121.441 120.500 -0.243 0.000 2.652 493 R HA 0.347 4.689 4.340 0.004 0.000 0.271 493 R C -0.151 176.079 176.300 -0.117 0.000 1.129 493 R CA -0.413 55.596 56.100 -0.153 0.000 1.200 493 R CB 0.175 30.383 30.300 -0.154 0.000 1.146 493 R HN 0.365 nan 8.270 nan 0.000 0.581 494 N N 0.847 119.502 118.700 -0.075 0.000 2.467 494 N HA 0.086 4.829 4.740 0.004 0.000 0.262 494 N C -1.828 173.644 175.510 -0.062 0.000 1.234 494 N CA -1.271 51.744 53.050 -0.058 0.000 0.952 494 N CB 0.535 39.001 38.487 -0.035 0.000 1.158 494 N HN 0.266 nan 8.380 nan 0.000 0.463 495 P HA -0.073 nan 4.420 nan 0.000 0.216 495 P C 1.077 178.353 177.300 -0.041 0.000 1.150 495 P CA 1.164 64.234 63.100 -0.050 0.000 0.837 495 P CB 0.057 31.734 31.700 -0.038 0.000 0.786 496 G N -0.053 108.729 108.800 -0.030 0.000 2.448 496 G HA2 -0.244 3.719 3.960 0.004 0.000 0.219 496 G HA3 -0.244 3.719 3.960 0.004 0.000 0.219 496 G C 1.390 176.277 174.900 -0.023 0.000 1.127 496 G CA 0.513 45.601 45.100 -0.021 0.000 0.766 496 G HN 0.314 nan 8.290 nan 0.000 0.552 497 E N -0.344 119.837 120.200 -0.033 0.000 2.152 497 E HA -0.000 4.352 4.350 0.004 0.000 0.192 497 E C 2.259 178.822 176.600 -0.062 0.000 0.983 497 E CA 0.079 56.458 56.400 -0.034 0.000 0.818 497 E CB -0.094 29.583 29.700 -0.039 0.000 0.758 497 E HN 0.291 nan 8.360 nan 0.000 0.467 498 L N 1.018 122.194 121.223 -0.078 0.000 2.349 498 L HA -0.228 4.115 4.340 0.004 0.000 0.220 498 L C 2.072 178.898 176.870 -0.074 0.000 1.130 498 L CA 1.537 56.319 54.840 -0.097 0.000 0.791 498 L CB -0.226 41.787 42.059 -0.076 0.000 0.918 498 L HN 0.076 nan 8.230 nan 0.000 0.444 499 Q N -1.347 118.428 119.800 -0.042 0.000 2.331 499 Q HA -0.035 4.308 4.340 0.004 0.000 0.203 499 Q C 1.782 177.780 176.000 -0.005 0.000 0.944 499 Q CA 0.714 56.506 55.803 -0.019 0.000 0.892 499 Q CB -0.002 28.730 28.738 -0.009 0.000 0.983 499 Q HN 0.594 nan 8.270 nan 0.000 0.482 500 N N -0.566 118.133 118.700 -0.002 0.000 2.457 500 N HA 0.060 4.803 4.740 0.004 0.000 0.180 500 N C 0.159 175.711 175.510 0.070 0.000 1.050 500 N CA 0.365 53.440 53.050 0.042 0.000 0.906 500 N CB 0.547 39.076 38.487 0.071 0.000 0.968 500 N HN 0.159 nan 8.380 nan 0.000 0.445 501 G N -1.130 107.654 108.800 -0.026 0.000 2.345 501 G HA2 0.394 4.356 3.960 0.004 0.000 0.310 501 G HA3 0.394 4.356 3.960 0.004 0.000 0.310 501 G C -1.035 173.607 174.900 -0.431 0.000 1.476 501 G CA -0.503 44.574 45.100 -0.039 0.000 0.978 501 G HN 0.297 nan 8.290 nan 0.000 0.656 502 G N -1.430 107.177 108.800 -0.322 0.000 2.570 502 G HA2 0.701 4.663 3.960 0.004 0.000 0.310 502 G HA3 0.701 4.663 3.960 0.004 0.000 0.310 502 G C -1.611 173.205 174.900 -0.141 0.000 1.266 502 G CA -0.649 44.223 45.100 -0.380 0.000 0.825 502 G HN 1.130 nan 8.290 nan 0.000 0.483 503 L N 1.248 122.412 121.223 -0.100 0.000 2.333 503 L HA 0.452 4.795 4.340 0.004 0.000 0.280 503 L C 0.577 177.433 176.870 -0.023 0.000 1.004 503 L CA -0.779 53.972 54.840 -0.148 0.000 0.820 503 L CB 1.936 43.732 42.059 -0.438 0.000 1.247 503 L HN 0.812 nan 8.230 nan 0.000 0.416 504 E N 3.063 123.260 120.200 -0.005 0.000 3.379 504 E HA -0.180 4.172 4.350 0.004 0.000 0.257 504 E C 1.025 177.636 176.600 0.019 0.000 0.882 504 E CA 1.147 57.555 56.400 0.013 0.000 0.962 504 E CB 0.160 29.872 29.700 0.021 0.000 0.900 504 E HN 0.914 nan 8.360 nan 0.000 0.560 505 G N 2.305 111.121 108.800 0.026 0.000 2.157 505 G HA2 -0.277 3.686 3.960 0.004 0.000 0.248 505 G HA3 -0.277 3.686 3.960 0.004 0.000 0.248 505 G C 0.229 175.157 174.900 0.046 0.000 0.979 505 G CA 0.165 45.283 45.100 0.030 0.000 0.650 505 G HN 0.999 nan 8.290 nan 0.000 0.529 506 A N 0.160 123.022 122.820 0.070 0.000 2.409 506 A HA 0.681 5.004 4.320 0.004 0.000 0.262 506 A C 0.766 178.374 177.584 0.040 0.000 1.113 506 A CA 0.165 52.265 52.037 0.105 0.000 0.790 506 A CB 0.900 20.042 19.000 0.238 0.000 1.046 506 A HN 1.146 nan 8.150 nan 0.000 0.496 507 V N 3.516 123.442 119.914 0.021 0.000 2.637 507 V HA 0.053 4.176 4.120 0.004 0.000 0.296 507 V C 0.848 176.911 176.094 -0.053 0.000 1.046 507 V CA -0.200 62.090 62.300 -0.017 0.000 1.066 507 V CB 0.987 32.796 31.823 -0.024 0.000 0.968 507 V HN 0.945 nan 8.190 nan 0.000 0.483 508 N N 5.008 123.668 118.700 -0.067 0.000 2.501 508 N HA 0.447 5.189 4.740 0.004 0.000 0.245 508 N C -1.162 174.292 175.510 -0.095 0.000 0.974 508 N CA -0.522 52.467 53.050 -0.101 0.000 0.941 508 N CB 0.701 39.134 38.487 -0.091 0.000 1.122 508 N HN 0.600 nan 8.380 nan 0.000 0.507 509 I N 4.605 125.108 120.570 -0.111 0.000 2.420 509 I HA 0.331 4.504 4.170 0.004 0.000 0.282 509 I C -2.293 173.764 176.117 -0.100 0.000 1.019 509 I CA -2.240 59.002 61.300 -0.096 0.000 1.130 509 I CB 1.827 39.770 38.000 -0.095 0.000 1.262 509 I HN 0.292 nan 8.210 nan 0.000 0.454 510 P HA -0.043 nan 4.420 nan 0.000 0.266 510 P C 1.048 178.310 177.300 -0.064 0.000 1.195 510 P CA 0.119 63.172 63.100 -0.077 0.000 0.768 510 P CB 1.097 32.763 31.700 -0.056 0.000 0.838 511 V N 3.093 122.971 119.914 -0.061 0.000 2.324 511 V HA -0.254 3.869 4.120 0.004 0.000 0.250 511 V C 1.250 177.325 176.094 -0.031 0.000 1.060 511 V CA 2.203 64.475 62.300 -0.046 0.000 1.042 511 V CB -0.723 31.080 31.823 -0.032 0.000 0.650 511 V HN 0.536 nan 8.190 nan 0.000 0.450 512 D N -0.565 119.819 120.400 -0.026 0.000 2.363 512 D HA -0.065 4.578 4.640 0.004 0.000 0.220 512 D C 1.683 177.974 176.300 -0.015 0.000 0.994 512 D CA 0.765 54.755 54.000 -0.016 0.000 0.890 512 D CB 0.106 40.899 40.800 -0.011 0.000 0.906 512 D HN 0.689 nan 8.370 nan 0.000 0.530 513 E N -0.130 120.057 120.200 -0.021 0.000 2.498 513 E HA 0.047 4.400 4.350 0.004 0.000 0.203 513 E C 1.700 178.290 176.600 -0.017 0.000 1.013 513 E CA -0.234 56.156 56.400 -0.016 0.000 0.927 513 E CB 0.423 30.112 29.700 -0.018 0.000 1.012 513 E HN 0.025 nan 8.360 nan 0.000 0.482 514 L N 1.414 122.619 121.223 -0.030 0.000 2.131 514 L HA -0.100 4.243 4.340 0.004 0.000 0.210 514 L C 2.294 179.151 176.870 -0.021 0.000 1.092 514 L CA 1.682 56.497 54.840 -0.041 0.000 0.759 514 L CB -0.086 41.935 42.059 -0.063 0.000 0.903 514 L HN -0.055 nan 8.230 nan 0.000 0.435 515 R N -0.705 119.791 120.500 -0.008 0.000 2.092 515 R HA -0.137 4.206 4.340 0.004 0.000 0.231 515 R C 1.534 177.855 176.300 0.035 0.000 1.119 515 R CA 1.729 57.832 56.100 0.006 0.000 0.970 515 R CB -0.182 30.120 30.300 0.004 0.000 0.864 515 R HN 0.426 nan 8.270 nan 0.000 0.440 516 D N -0.278 120.146 120.400 0.040 0.000 2.289 516 D HA 0.004 4.646 4.640 0.004 0.000 0.207 516 D C 0.432 176.832 176.300 0.168 0.000 0.966 516 D CA 0.744 54.786 54.000 0.071 0.000 0.868 516 D CB 0.303 41.131 40.800 0.047 0.000 0.943 516 D HN 0.221 nan 8.370 nan 0.000 0.514 520 E N 1.915 121.792 120.200 -0.540 0.000 2.409 520 E HA 0.152 4.505 4.350 0.004 0.000 0.198 520 E C 0.156 176.690 176.600 -0.110 0.000 1.024 520 E CA 0.376 56.596 56.400 -0.300 0.000 0.861 520 E CB 0.516 30.039 29.700 -0.296 0.000 0.788 520 E HN 0.342 nan 8.360 nan 0.000 0.521 521 L N 2.800 123.994 121.223 -0.048 0.000 2.287 521 L HA 0.339 4.681 4.340 0.004 0.000 0.287 521 L C -2.223 174.759 176.870 0.186 0.000 1.022 521 L CA -2.243 52.618 54.840 0.034 0.000 0.814 521 L CB 1.039 43.062 42.059 -0.061 0.000 1.217 521 L HN -0.171 nan 8.230 nan 0.000 0.420 522 P HA 0.142 nan 4.420 nan 0.000 0.281 522 P C -0.201 177.183 177.300 0.141 0.000 1.252 522 P CA -0.591 62.584 63.100 0.126 0.000 0.778 522 P CB 1.642 33.382 31.700 0.066 0.000 0.895 523 K N 1.869 122.253 120.400 -0.028 0.000 2.504 523 K HA -0.108 4.215 4.320 0.004 0.000 0.195 523 K C 0.523 177.046 176.600 -0.129 0.000 1.036 523 K CA 1.100 57.217 56.287 -0.284 0.000 0.984 523 K CB -0.249 31.977 32.500 -0.457 0.000 0.788 523 K HN 0.453 nan 8.250 nan 0.000 0.488 524 D N -1.123 119.256 120.400 -0.035 0.000 2.342 524 D HA 0.028 4.671 4.640 0.004 0.000 0.221 524 D C -0.460 175.853 176.300 0.021 0.000 1.101 524 D CA -0.016 53.976 54.000 -0.013 0.000 0.837 524 D CB 0.313 41.107 40.800 -0.010 0.000 0.938 524 D HN -0.078 nan 8.370 nan 0.000 0.508 525 K N 0.741 121.173 120.400 0.055 0.000 2.292 525 K HA 0.206 4.529 4.320 0.004 0.000 0.257 525 K C -0.519 176.143 176.600 0.103 0.000 0.940 525 K CA -0.791 55.539 56.287 0.072 0.000 0.811 525 K CB 2.159 34.704 32.500 0.075 0.000 1.120 525 K HN 0.013 nan 8.250 nan 0.000 0.428 526 E N 4.048 124.300 120.200 0.086 0.000 2.415 526 E HA -0.038 4.314 4.350 0.004 0.000 0.260 526 E C -0.407 176.257 176.600 0.106 0.000 1.016 526 E CA -0.212 56.249 56.400 0.103 0.000 0.924 526 E CB 0.439 30.189 29.700 0.084 0.000 0.961 526 E HN 0.303 nan 8.360 nan 0.000 0.459 527 I N 6.297 126.938 120.570 0.119 0.000 2.337 527 I HA 0.135 4.307 4.170 0.004 0.000 0.291 527 I C 0.133 176.311 176.117 0.102 0.000 1.046 527 I CA -0.495 60.856 61.300 0.084 0.000 1.324 527 I CB 0.415 38.427 38.000 0.020 0.000 1.409 527 I HN 0.430 nan 8.210 nan 0.000 0.494 528 I N 7.828 128.461 120.570 0.105 0.000 2.306 528 I HA 0.378 4.550 4.170 0.004 0.000 0.288 528 I C 0.389 176.611 176.117 0.174 0.000 1.036 528 I CA -0.422 60.957 61.300 0.132 0.000 1.221 528 I CB 0.637 38.703 38.000 0.111 0.000 1.385 528 I HN 0.348 nan 8.210 nan 0.000 0.472 529 I N 7.331 128.009 120.570 0.180 0.000 2.428 529 I HA 0.453 4.626 4.170 0.004 0.000 0.296 529 I C -0.307 175.987 176.117 0.294 0.000 0.985 529 I CA -0.668 60.738 61.300 0.177 0.000 1.260 529 I CB 1.298 39.378 38.000 0.134 0.000 1.389 529 I HN 0.448 nan 8.210 nan 0.000 0.484 530 F N 3.259 123.231 119.950 0.037 0.000 2.619 530 F HA 0.774 5.303 4.527 0.004 0.000 0.308 530 F C -0.523 175.305 175.800 0.046 0.000 1.097 530 F CA -0.544 57.487 58.000 0.052 0.000 0.953 530 F CB 1.338 40.366 39.000 0.047 0.000 1.287 530 F HN 0.480 nan 8.300 nan 0.000 0.446 531 S N 1.513 117.294 115.700 0.134 0.000 2.874 531 S HA 0.396 4.868 4.470 0.004 0.000 0.318 531 S C 0.481 175.205 174.600 0.207 0.000 1.109 531 S CA -0.238 57.983 58.200 0.036 0.000 0.878 531 S CB 1.528 64.750 63.200 0.037 0.000 1.307 531 S HN 0.844 nan 8.310 nan 0.000 0.592 532 Q N 0.296 120.189 119.800 0.154 0.000 2.016 532 Q HA -0.035 4.308 4.340 0.004 0.000 0.200 532 Q C 1.516 177.653 176.000 0.228 0.000 0.978 532 Q CA 2.624 58.554 55.803 0.211 0.000 0.833 532 Q CB -0.530 28.291 28.738 0.138 0.000 0.895 532 Q HN 0.899 nan 8.270 nan 0.000 0.427 533 V N -4.644 115.395 119.914 0.207 0.000 3.380 533 V HA 0.618 4.741 4.120 0.004 0.000 0.307 533 V C 0.954 177.235 176.094 0.313 0.000 1.434 533 V CA 0.616 63.084 62.300 0.280 0.000 1.075 533 V CB 0.314 32.303 31.823 0.277 0.000 0.954 533 V HN 0.412 nan 8.190 nan 0.000 0.444 534 G N 0.997 109.943 108.800 0.244 0.000 2.234 534 G HA2 -0.324 3.638 3.960 0.004 0.000 0.235 534 G HA3 -0.324 3.638 3.960 0.004 0.000 0.235 534 G C 0.634 175.624 174.900 0.150 0.000 0.997 534 G CA 0.604 45.828 45.100 0.207 0.000 0.623 534 G HN 0.599 nan 8.290 nan 0.000 0.514 535 L N 0.381 121.687 121.223 0.139 0.000 2.023 535 L HA 0.260 4.603 4.340 0.004 0.000 0.205 535 L C 2.935 179.853 176.870 0.081 0.000 1.073 535 L CA 2.018 56.920 54.840 0.104 0.000 0.745 535 L CB -0.303 41.815 42.059 0.098 0.000 0.900 535 L HN 0.287 nan 8.230 nan 0.000 0.435 536 R N -0.309 120.233 120.500 0.070 0.000 2.148 536 R HA -0.071 4.272 4.340 0.004 0.000 0.227 536 R C 2.186 178.514 176.300 0.047 0.000 1.103 536 R CA 0.921 57.048 56.100 0.044 0.000 0.983 536 R CB -0.678 29.634 30.300 0.020 0.000 0.874 536 R HN 0.556 nan 8.270 nan 0.000 0.451 537 G N 1.214 110.053 108.800 0.066 0.000 2.440 537 G HA2 -0.369 3.593 3.960 0.004 0.000 0.218 537 G HA3 -0.369 3.593 3.960 0.004 0.000 0.218 537 G C 1.243 176.210 174.900 0.112 0.000 1.154 537 G CA 1.117 46.266 45.100 0.082 0.000 0.767 537 G HN 0.313 nan 8.290 nan 0.000 0.552 538 N N -0.009 118.751 118.700 0.101 0.000 2.120 538 N HA -0.120 4.623 4.740 0.004 0.000 0.188 538 N C 2.209 177.814 175.510 0.158 0.000 1.024 538 N CA 1.482 54.603 53.050 0.119 0.000 0.852 538 N CB -0.234 38.298 38.487 0.075 0.000 1.003 538 N HN 0.142 nan 8.380 nan 0.000 0.424 539 V N 0.759 120.732 119.914 0.098 0.000 2.252 539 V HA -0.276 3.847 4.120 0.004 0.000 0.249 539 V C 2.421 178.553 176.094 0.063 0.000 1.056 539 V CA 2.042 64.384 62.300 0.070 0.000 1.022 539 V CB -1.315 30.531 31.823 0.038 0.000 0.641 539 V HN 0.512 nan 8.190 nan 0.000 0.445 540 A N -0.860 121.994 122.820 0.056 0.000 1.883 540 A HA -0.295 4.027 4.320 0.004 0.000 0.217 540 A C 2.181 179.790 177.584 0.042 0.000 1.186 540 A CA 2.274 54.323 52.037 0.021 0.000 0.624 540 A CB -0.869 18.131 19.000 0.000 0.000 0.822 540 A HN 0.695 nan 8.150 nan 0.000 0.444 541 Y N 0.481 120.775 120.300 -0.011 0.000 2.128 541 Y HA -0.251 4.301 4.550 0.004 0.000 0.284 541 Y C 2.505 178.410 175.900 0.009 0.000 1.154 541 Y CA 2.172 60.274 58.100 0.002 0.000 1.149 541 Y CB -0.171 38.305 38.460 0.027 0.000 0.976 541 Y HN 0.156 nan 8.280 nan 0.000 0.505 542 R N 0.720 121.283 120.500 0.105 0.000 2.080 542 R HA -0.203 4.139 4.340 0.004 0.000 0.236 542 R C 2.222 178.473 176.300 -0.082 0.000 1.137 542 R CA 1.962 58.060 56.100 -0.003 0.000 0.943 542 R CB -1.110 29.250 30.300 0.100 0.000 0.846 542 R HN 0.599 nan 8.270 nan 0.000 0.431 543 Q N 0.348 120.121 119.800 -0.046 0.000 2.096 543 Q HA -0.181 4.162 4.340 0.004 0.000 0.208 543 Q C 2.334 178.284 176.000 -0.083 0.000 0.993 543 Q CA 1.674 57.445 55.803 -0.054 0.000 0.862 543 Q CB -0.276 28.433 28.738 -0.049 0.000 0.915 543 Q HN 0.333 nan 8.270 nan 0.000 0.416 544 L N 0.016 121.144 121.223 -0.157 0.000 2.005 544 L HA -0.162 4.180 4.340 0.004 0.000 0.207 544 L C 2.574 179.426 176.870 -0.029 0.000 1.072 544 L CA 1.177 55.914 54.840 -0.173 0.000 0.744 544 L CB -0.890 40.966 42.059 -0.339 0.000 0.895 544 L HN 0.215 nan 8.230 nan 0.000 0.433 545 V N -2.865 116.906 119.914 -0.237 0.000 2.490 545 V HA -0.230 3.893 4.120 0.004 0.000 0.250 545 V C 1.745 177.793 176.094 -0.077 0.000 1.061 545 V CA 2.162 64.347 62.300 -0.193 0.000 1.064 545 V CB -1.191 30.405 31.823 -0.377 0.000 0.670 545 V HN 0.466 nan 8.190 nan 0.000 0.461 546 N N 1.165 119.824 118.700 -0.068 0.000 2.309 546 N HA -0.103 4.639 4.740 0.004 0.000 0.182 546 N C 1.162 176.679 175.510 0.012 0.000 1.018 546 N CA 1.457 54.495 53.050 -0.020 0.000 0.876 546 N CB -0.266 38.211 38.487 -0.016 0.000 0.972 546 N HN 0.637 nan 8.380 nan 0.000 0.434 547 N N -0.734 117.998 118.700 0.054 0.000 2.268 547 N HA 0.161 4.904 4.740 0.004 0.000 0.204 547 N C 0.525 176.074 175.510 0.066 0.000 1.124 547 N CA 0.242 53.348 53.050 0.093 0.000 0.838 547 N CB 1.031 39.625 38.487 0.178 0.000 0.994 547 N HN 0.184 nan 8.380 nan 0.000 0.489 548 G N -0.528 108.288 108.800 0.027 0.000 2.175 548 G HA2 -0.309 3.653 3.960 0.004 0.000 0.244 548 G HA3 -0.309 3.653 3.960 0.004 0.000 0.244 548 G C -0.247 174.579 174.900 -0.123 0.000 0.982 548 G CA -0.355 44.712 45.100 -0.056 0.000 0.641 548 G HN 0.291 nan 8.290 nan 0.000 0.527 549 Y N 0.768 121.034 120.300 -0.057 0.000 2.457 549 Y HA 0.479 5.032 4.550 0.005 0.000 0.341 549 Y C 1.587 177.454 175.900 -0.055 0.000 1.240 549 Y CA 0.074 58.143 58.100 -0.052 0.000 1.437 549 Y CB 0.466 38.888 38.460 -0.063 0.000 1.328 549 Y HN 0.140 nan 8.280 nan 0.000 0.588 550 R N 1.557 122.129 120.500 0.121 0.000 2.312 550 R HA 0.756 5.099 4.340 0.004 0.000 0.311 550 R C -0.788 175.591 176.300 0.132 0.000 1.004 550 R CA -0.524 55.633 56.100 0.095 0.000 0.902 550 R CB 1.032 31.374 30.300 0.071 0.000 1.073 550 R HN 0.728 nan 8.270 nan 0.000 0.457 551 A N 3.067 125.967 122.820 0.133 0.000 2.594 551 A HA 0.719 5.042 4.320 0.004 0.000 0.291 551 A C -1.044 176.759 177.584 0.364 0.000 1.105 551 A CA -0.926 51.228 52.037 0.195 0.000 0.694 551 A CB 1.780 20.841 19.000 0.102 0.000 1.291 551 A HN 0.682 nan 8.150 nan 0.000 0.410 552 R N 0.096 120.781 120.500 0.307 0.000 2.771 552 R HA 0.551 4.893 4.340 0.004 0.000 0.274 552 R C -1.483 174.907 176.300 0.151 0.000 0.987 552 R CA -0.897 55.317 56.100 0.189 0.000 0.908 552 R CB 2.195 32.553 30.300 0.097 0.000 1.213 552 R HN 0.745 nan 8.270 nan 0.000 0.468 553 N N 1.299 119.998 118.700 -0.001 0.000 2.284 553 N HA 0.213 4.955 4.740 0.004 0.000 0.300 553 N C -1.464 174.066 175.510 0.034 0.000 1.047 553 N CA -0.784 52.284 53.050 0.031 0.000 0.821 553 N CB 1.349 39.794 38.487 -0.069 0.000 1.337 553 N HN 0.454 nan 8.380 nan 0.000 0.482 554 L N 4.773 126.070 121.223 0.123 0.000 2.485 554 L HA 0.345 4.687 4.340 0.004 0.000 0.279 554 L C -0.651 176.338 176.870 0.198 0.000 1.124 554 L CA -0.057 54.876 54.840 0.155 0.000 0.888 554 L CB -0.379 41.810 42.059 0.216 0.000 1.217 554 L HN 0.442 nan 8.230 nan 0.000 0.464 555 I N 6.219 126.911 120.570 0.203 0.000 2.533 555 I HA 0.230 4.402 4.170 0.004 0.000 0.284 555 I C 1.562 177.956 176.117 0.462 0.000 1.109 555 I CA 0.591 62.089 61.300 0.331 0.000 1.412 555 I CB -0.165 38.090 38.000 0.424 0.000 1.396 555 I HN 0.879 nan 8.210 nan 0.000 0.543 556 G N 4.330 113.390 108.800 0.433 0.000 2.212 556 G HA2 -0.132 3.830 3.960 0.004 0.000 0.266 556 G HA3 -0.132 3.830 3.960 0.004 0.000 0.266 556 G C 0.839 175.986 174.900 0.411 0.000 0.978 556 G CA 0.516 45.895 45.100 0.466 0.000 0.632 556 G HN 1.571 nan 8.290 nan 0.000 0.537 557 G N -1.040 107.962 108.800 0.336 0.000 2.645 557 G HA2 -0.117 3.846 3.960 0.004 0.000 0.246 557 G HA3 -0.117 3.846 3.960 0.004 0.000 0.246 557 G C 0.479 175.564 174.900 0.308 0.000 1.322 557 G CA 0.845 46.143 45.100 0.330 0.000 0.898 557 G HN 1.513 nan 8.290 nan 0.000 0.573 558 Y N 1.331 121.763 120.300 0.221 0.000 2.274 558 Y HA -0.053 4.499 4.550 0.003 0.000 0.290 558 Y C 3.093 179.080 175.900 0.145 0.000 1.145 558 Y CA 2.558 60.750 58.100 0.153 0.000 1.203 558 Y CB -0.248 38.326 38.460 0.190 0.000 0.984 558 Y HN 0.614 nan 8.280 nan 0.000 0.533 559 R N -0.697 119.842 120.500 0.064 0.000 2.080 559 R HA -0.176 4.167 4.340 0.004 0.000 0.236 559 R C 2.101 178.382 176.300 -0.032 0.000 1.137 559 R CA 2.251 58.322 56.100 -0.049 0.000 0.943 559 R CB -0.651 29.476 30.300 -0.288 0.000 0.846 559 R HN 0.271 nan 8.270 nan 0.000 0.431 560 T N 0.074 114.626 114.554 -0.002 0.000 2.684 560 T HA -0.239 4.113 4.350 0.004 0.000 0.267 560 T C 1.398 175.931 174.700 -0.279 0.000 1.036 560 T CA 1.791 63.832 62.100 -0.097 0.000 1.148 560 T CB -0.485 68.284 68.868 -0.165 0.000 0.863 560 T HN 0.449 nan 8.240 nan 0.000 0.436 561 Y N 1.911 122.040 120.300 -0.286 0.000 2.145 561 Y HA -0.149 4.403 4.550 0.004 0.000 0.286 561 Y C 2.538 178.184 175.900 -0.423 0.000 1.145 561 Y CA 1.891 59.817 58.100 -0.290 0.000 1.148 561 Y CB -0.113 38.248 38.460 -0.165 0.000 0.981 561 Y HN 0.047 nan 8.280 nan 0.000 0.507 562 K N -0.372 119.810 120.400 -0.363 0.000 2.057 562 K HA -0.186 4.137 4.320 0.004 0.000 0.207 562 K C 1.516 177.752 176.600 -0.607 0.000 1.049 562 K CA 1.842 57.808 56.287 -0.535 0.000 0.931 562 K CB -0.511 31.542 32.500 -0.746 0.000 0.714 562 K HN 0.369 nan 8.250 nan 0.000 0.440 563 F N 0.444 120.082 119.950 -0.519 0.000 2.802 563 F HA 0.116 4.646 4.527 0.004 0.000 0.300 563 F C 2.001 177.445 175.800 -0.594 0.000 1.168 563 F CA 0.491 58.103 58.000 -0.647 0.000 1.433 563 F CB 0.126 38.406 39.000 -1.199 0.000 1.115 563 F HN 0.125 nan 8.300 nan 0.000 0.582 564 A N -0.714 121.805 122.820 -0.502 0.000 2.169 564 A HA 0.097 4.419 4.320 0.004 0.000 0.212 564 A C 1.375 178.751 177.584 -0.347 0.000 1.153 564 A CA 0.656 52.367 52.037 -0.545 0.000 0.756 564 A CB -0.545 17.889 19.000 -0.943 0.000 0.813 564 A HN 0.264 nan 8.150 nan 0.000 0.471 565 S N 0.000 115.488 115.700 -0.353 0.000 2.498 565 S HA 0.000 4.473 4.470 0.004 0.000 0.327 565 S CA 0.000 58.054 58.200 -0.243 0.000 1.107 565 S CB 0.000 63.029 63.200 -0.285 0.000 0.593 565 S HN 0.000 nan 8.310 nan 0.000 0.517