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 1foh_1_A DATA FIRST_RESID 1 DATA SEQUENCE TKYSESYCDV LIVGAGPAGL MAARVLSEYV RQKPDLKVRI IDKRSTKVYN DATA SEQUENCE GQADGLQCRT LESLKNLGLA DKILSEANDM STIALYNPDE NGHIRRTDRI DATA SEQUENCE PDTLPGISRY HQVVLHQGRI ERHILDSIAE ISDTRIKVER PLIPEKMEID DATA SEQUENCE SSKAEDPEAY PVTMTLRYMS DHESTPLQFG HKTENSLFHS NLQTQEEEDA DATA SEQUENCE NYRLPEGKEA GEIETVHCKY VIGCDGGHSW VRRTLGFEMI GEQTDYIWGV DATA SEQUENCE LDAVPASNFP DIRSRCAIHS AESGSIMIIP RENNLVRFYV QLQXXXXXXX DATA SEQUENCE XXXXXXFTPE VVIANAKKIF HPYTFDVQQL DWFTAYHIGQ RVTEKFSKDE DATA SEQUENCE RVFIAGDACH THSPKAGQGM NTSMMDTYNL GWKLGLVLTG RAKRDILKTY DATA SEQUENCE EEERHAFAQA LIDFDHQFSR LFSGRPAKDV ADEMGVSMDV FKEAFVKGNE DATA SEQUENCE FASGTAINYD ENLVTDKKSS KQELAKNCVV GTRFKSQPVV RHSEGLWMHF DATA SEQUENCE GDRLVTDGRF RIIVFAGKAT DATQMSRIKK FSAYLDSENS VISLYTPKVS DATA SEQUENCE DRNSRIDVIT IHSCHRDDIE MHDFPAPALH PKWQYDFIYA DCDSWHHPHP DATA SEQUENCE KSYQAWGVDE TKGAVVVVRP DGYTSLVTDL EGTAEIDRYF SGILVEPKEK DATA SEQUENCE SGAQTEADWT KS VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 T HA 0.000 nan 4.350 nan 0.000 0.228 1 T C 0.000 174.477 174.700 -0.371 0.000 1.109 1 T CA 0.000 61.935 62.100 -0.274 0.000 1.349 1 T CB 0.000 68.563 68.868 -0.508 0.000 0.612 2 K N 1.533 121.738 120.400 -0.324 0.000 2.249 2 K HA 0.516 4.835 4.320 -0.001 0.000 0.280 2 K C -1.363 175.007 176.600 -0.383 0.000 1.033 2 K CA -0.321 55.826 56.287 -0.233 0.000 0.946 2 K CB 0.465 32.877 32.500 -0.146 0.000 1.005 2 K HN 0.548 nan 8.250 nan 0.000 0.469 3 Y N 1.209 121.496 120.300 -0.022 0.000 2.429 3 Y HA 0.318 4.868 4.550 -0.001 0.000 0.342 3 Y C 0.080 175.964 175.900 -0.027 0.000 1.004 3 Y CA -0.353 57.736 58.100 -0.018 0.000 1.075 3 Y CB 2.252 40.703 38.460 -0.014 0.000 1.214 3 Y HN 0.752 nan 8.280 nan 0.000 0.455 4 S N 1.229 117.016 115.700 0.145 0.000 2.618 4 S HA 0.748 5.218 4.470 -0.001 0.000 0.277 4 S C -1.382 173.236 174.600 0.031 0.000 1.138 4 S CA -1.006 57.231 58.200 0.061 0.000 0.844 4 S CB 2.686 65.891 63.200 0.009 0.000 1.127 4 S HN 0.689 nan 8.310 nan 0.000 0.474 5 E N 0.169 120.370 120.200 0.001 0.000 2.308 5 E HA 0.673 5.023 4.350 -0.001 0.000 0.275 5 E C -1.257 175.309 176.600 -0.057 0.000 0.890 5 E CA -0.571 55.791 56.400 -0.064 0.000 0.754 5 E CB 1.927 31.603 29.700 -0.039 0.000 1.207 5 E HN 0.993 nan 8.360 nan 0.000 0.426 6 S N 1.992 117.593 115.700 -0.165 0.000 2.643 6 S HA 0.534 5.003 4.470 -0.001 0.000 0.270 6 S C -1.588 172.846 174.600 -0.277 0.000 1.166 6 S CA -0.834 57.323 58.200 -0.071 0.000 0.815 6 S CB 0.649 63.857 63.200 0.013 0.000 1.139 6 S HN 0.412 nan 8.310 nan 0.000 0.472 7 Y N -0.051 120.222 120.300 -0.046 0.000 2.485 7 Y HA 0.768 5.317 4.550 -0.001 0.000 0.345 7 Y C 0.420 176.353 175.900 0.056 0.000 0.998 7 Y CA -0.598 57.449 58.100 -0.089 0.000 1.059 7 Y CB 2.032 40.291 38.460 -0.334 0.000 1.234 7 Y HN 1.214 nan 8.280 nan 0.000 0.461 8 C N 0.434 119.929 119.300 0.325 0.000 3.170 8 C HA 0.455 4.915 4.460 -0.001 0.000 0.319 8 C C 0.426 175.627 174.990 0.352 0.000 1.260 8 C CA -0.753 58.441 59.018 0.292 0.000 1.374 8 C CB 1.551 29.392 27.740 0.169 0.000 1.739 8 C HN 0.904 nan 8.230 nan 0.000 0.479 9 D N 0.967 121.526 120.400 0.264 0.000 2.091 9 D HA 0.044 4.683 4.640 -0.001 0.000 0.199 9 D C 0.555 176.995 176.300 0.234 0.000 0.980 9 D CA 1.780 55.914 54.000 0.223 0.000 0.831 9 D CB 0.214 41.118 40.800 0.174 0.000 0.987 9 D HN 0.539 nan 8.370 nan 0.000 0.460 10 V N 1.236 121.263 119.914 0.188 0.000 2.638 10 V HA 0.316 4.435 4.120 -0.001 0.000 0.306 10 V C -0.776 175.394 176.094 0.127 0.000 1.052 10 V CA -0.957 61.450 62.300 0.178 0.000 0.885 10 V CB 2.641 34.539 31.823 0.125 0.000 0.999 10 V HN -0.038 nan 8.190 nan 0.000 0.424 11 L N 6.064 127.359 121.223 0.120 0.000 2.325 11 L HA 0.672 5.012 4.340 -0.001 0.000 0.281 11 L C -0.698 176.214 176.870 0.069 0.000 1.004 11 L CA 0.069 54.955 54.840 0.077 0.000 0.823 11 L CB 1.208 43.301 42.059 0.058 0.000 1.236 11 L HN 0.577 nan 8.230 nan 0.000 0.415 12 I N 6.077 126.673 120.570 0.043 0.000 2.307 12 I HA 0.296 4.465 4.170 -0.001 0.000 0.289 12 I C -0.515 175.612 176.117 0.016 0.000 1.021 12 I CA -0.731 60.589 61.300 0.034 0.000 1.224 12 I CB 1.503 39.516 38.000 0.022 0.000 1.376 12 I HN 0.265 nan 8.210 nan 0.000 0.470 13 V N 6.081 126.009 119.914 0.025 0.000 2.353 13 V HA 0.709 4.829 4.120 -0.001 0.000 0.264 13 V C 0.585 176.684 176.094 0.009 0.000 1.049 13 V CA -0.364 61.939 62.300 0.005 0.000 0.896 13 V CB 0.296 32.136 31.823 0.028 0.000 1.025 13 V HN 1.049 nan 8.190 nan 0.000 0.475 14 G N 4.056 112.850 108.800 -0.010 0.000 3.400 14 G HA2 0.334 4.294 3.960 -0.001 0.000 0.679 14 G HA3 0.334 4.294 3.960 -0.001 0.000 0.679 14 G C -0.319 174.578 174.900 -0.005 0.000 1.239 14 G CA -0.332 44.767 45.100 -0.002 0.000 1.049 14 G HN 1.347 nan 8.290 nan 0.000 0.539 15 A N 1.632 124.444 122.820 -0.012 0.000 3.106 15 A HA 0.805 5.125 4.320 -0.001 0.000 0.306 15 A C 1.246 178.819 177.584 -0.017 0.000 1.192 15 A CA 0.984 53.012 52.037 -0.015 0.000 0.994 15 A CB -0.119 18.866 19.000 -0.024 0.000 1.107 15 A HN 2.000 nan 8.150 nan 0.000 0.585 16 G N -0.085 108.710 108.800 -0.009 0.000 2.531 16 G HA2 0.470 4.430 3.960 -0.001 0.000 0.281 16 G HA3 0.470 4.430 3.960 -0.001 0.000 0.281 16 G C -1.364 173.533 174.900 -0.004 0.000 1.382 16 G CA -1.164 43.929 45.100 -0.010 0.000 1.045 16 G HN 0.102 nan 8.290 nan 0.000 0.533 17 P HA -0.146 nan 4.420 nan 0.000 0.215 17 P C 2.084 179.401 177.300 0.028 0.000 1.157 17 P CA 2.433 65.540 63.100 0.012 0.000 0.874 17 P CB 0.035 31.745 31.700 0.017 0.000 0.790 18 A N -0.150 122.690 122.820 0.034 0.000 1.845 18 A HA -0.108 4.212 4.320 -0.001 0.000 0.215 18 A C 2.568 180.169 177.584 0.029 0.000 1.195 18 A CA 2.292 54.354 52.037 0.043 0.000 0.616 18 A CB -1.954 17.068 19.000 0.036 0.000 0.832 18 A HN 0.273 nan 8.150 nan 0.000 0.443 19 G N -0.314 108.496 108.800 0.017 0.000 2.440 19 G HA2 -0.195 3.765 3.960 -0.001 0.000 0.218 19 G HA3 -0.195 3.765 3.960 -0.001 0.000 0.218 19 G C 1.565 176.473 174.900 0.013 0.000 1.154 19 G CA 1.118 46.224 45.100 0.011 0.000 0.767 19 G HN 0.429 nan 8.290 nan 0.000 0.552 20 L N -0.515 120.715 121.223 0.013 0.000 2.093 20 L HA -0.028 4.311 4.340 -0.001 0.000 0.208 20 L C 2.790 179.678 176.870 0.030 0.000 1.085 20 L CA 1.311 56.160 54.840 0.014 0.000 0.755 20 L CB -0.307 41.755 42.059 0.005 0.000 0.904 20 L HN 0.308 nan 8.230 nan 0.000 0.435 21 M N 0.152 119.776 119.600 0.041 0.000 2.175 21 M HA -0.076 4.404 4.480 -0.001 0.000 0.264 21 M C 2.227 178.567 176.300 0.067 0.000 1.063 21 M CA 1.942 57.283 55.300 0.069 0.000 1.119 21 M CB -0.398 32.257 32.600 0.091 0.000 1.377 21 M HN 0.128 nan 8.290 nan 0.000 0.415 22 A N -0.012 122.830 122.820 0.037 0.000 1.902 22 A HA 0.087 4.407 4.320 -0.001 0.000 0.217 22 A C 2.402 179.999 177.584 0.022 0.000 1.181 22 A CA 1.983 54.025 52.037 0.008 0.000 0.623 22 A CB -1.458 17.529 19.000 -0.022 0.000 0.818 22 A HN 0.652 nan 8.150 nan 0.000 0.443 23 A N -0.078 122.757 122.820 0.026 0.000 1.902 23 A HA -0.157 4.162 4.320 -0.001 0.000 0.217 23 A C 2.183 179.793 177.584 0.043 0.000 1.181 23 A CA 2.219 54.275 52.037 0.032 0.000 0.623 23 A CB -0.460 18.555 19.000 0.024 0.000 0.818 23 A HN 0.477 nan 8.150 nan 0.000 0.443 24 R N 0.162 120.690 120.500 0.046 0.000 2.073 24 R HA -0.089 4.251 4.340 -0.001 0.000 0.234 24 R C 1.783 178.120 176.300 0.062 0.000 1.134 24 R CA 2.343 58.473 56.100 0.049 0.000 0.952 24 R CB -1.336 28.997 30.300 0.054 0.000 0.850 24 R HN 0.251 nan 8.270 nan 0.000 0.433 25 V N 0.950 120.915 119.914 0.085 0.000 2.343 25 V HA -0.191 3.929 4.120 -0.001 0.000 0.247 25 V C 2.385 178.587 176.094 0.180 0.000 1.051 25 V CA 1.862 64.229 62.300 0.112 0.000 1.036 25 V CB -0.478 31.407 31.823 0.103 0.000 0.654 25 V HN 0.277 nan 8.190 nan 0.000 0.451 26 L N -0.296 121.015 121.223 0.146 0.000 2.141 26 L HA -0.123 4.216 4.340 -0.001 0.000 0.209 26 L C 2.628 179.602 176.870 0.175 0.000 1.094 26 L CA 1.189 56.147 54.840 0.197 0.000 0.763 26 L CB -0.657 41.450 42.059 0.081 0.000 0.908 26 L HN 0.285 nan 8.230 nan 0.000 0.437 27 S N -0.033 115.720 115.700 0.088 0.000 2.380 27 S HA -0.304 4.166 4.470 -0.001 0.000 0.229 27 S C 1.889 176.494 174.600 0.008 0.000 1.043 27 S CA 1.961 60.189 58.200 0.046 0.000 1.038 27 S CB -0.251 62.963 63.200 0.023 0.000 0.872 27 S HN 0.441 nan 8.310 nan 0.000 0.456 28 E N 0.139 120.300 120.200 -0.064 0.000 2.110 28 E HA -0.152 4.197 4.350 -0.001 0.000 0.193 28 E C 1.589 178.032 176.600 -0.262 0.000 0.988 28 E CA 1.394 57.661 56.400 -0.222 0.000 0.804 28 E CB -0.246 29.210 29.700 -0.408 0.000 0.745 28 E HN 0.718 nan 8.360 nan 0.000 0.458 29 Y N -0.983 119.320 120.300 0.005 0.000 2.286 29 Y HA -0.063 4.486 4.550 -0.001 0.000 0.293 29 Y C 2.262 178.171 175.900 0.015 0.000 1.124 29 Y CA 0.764 58.870 58.100 0.010 0.000 1.178 29 Y CB -0.341 38.122 38.460 0.005 0.000 1.010 29 Y HN -0.064 nan 8.280 nan 0.000 0.536 30 V N 0.527 120.527 119.914 0.144 0.000 2.332 30 V HA -0.327 3.793 4.120 -0.001 0.000 0.248 30 V C 2.475 178.599 176.094 0.049 0.000 1.055 30 V CA 2.243 64.596 62.300 0.088 0.000 1.038 30 V CB -0.611 31.256 31.823 0.073 0.000 0.651 30 V HN 0.331 nan 8.190 nan 0.000 0.450 31 R N -0.217 120.294 120.500 0.017 0.000 2.096 31 R HA -0.202 4.137 4.340 -0.001 0.000 0.235 31 R C 2.327 178.629 176.300 0.003 0.000 1.127 31 R CA 1.743 57.843 56.100 0.001 0.000 0.968 31 R CB -0.170 30.116 30.300 -0.023 0.000 0.861 31 R HN 0.600 nan 8.270 nan 0.000 0.440 32 Q N -0.366 119.435 119.800 0.002 0.000 2.123 32 Q HA -0.022 4.318 4.340 -0.001 0.000 0.199 32 Q C 0.044 176.068 176.000 0.041 0.000 0.966 32 Q CA 0.988 56.800 55.803 0.015 0.000 0.845 32 Q CB 0.426 29.174 28.738 0.017 0.000 0.907 32 Q HN -0.039 nan 8.270 nan 0.000 0.439 33 K N 0.292 120.728 120.400 0.060 0.000 2.687 33 K HA 0.203 4.522 4.320 -0.001 0.000 0.197 33 K C -2.307 174.328 176.600 0.059 0.000 1.049 33 K CA -1.730 54.594 56.287 0.061 0.000 1.030 33 K CB 1.415 33.961 32.500 0.076 0.000 1.261 33 K HN -0.092 nan 8.250 nan 0.000 0.565 34 P HA -0.136 nan 4.420 nan 0.000 0.223 34 P C 0.362 177.691 177.300 0.048 0.000 1.144 34 P CA 1.010 64.136 63.100 0.043 0.000 0.783 34 P CB 0.444 32.163 31.700 0.031 0.000 0.771 35 D N -0.449 119.981 120.400 0.050 0.000 2.219 35 D HA -0.033 4.607 4.640 -0.001 0.000 0.205 35 D C 1.029 177.372 176.300 0.071 0.000 0.970 35 D CA 0.395 54.428 54.000 0.055 0.000 0.851 35 D CB -0.474 40.357 40.800 0.052 0.000 0.943 35 D HN 0.234 nan 8.370 nan 0.000 0.488 36 L N 0.863 122.132 121.223 0.076 0.000 2.525 36 L HA -0.007 4.333 4.340 -0.001 0.000 0.278 36 L C 0.790 177.716 176.870 0.093 0.000 1.218 36 L CA 0.359 55.254 54.840 0.091 0.000 0.878 36 L CB 0.340 42.454 42.059 0.091 0.000 1.127 36 L HN -0.180 nan 8.230 nan 0.000 0.492 37 K N 2.891 123.358 120.400 0.112 0.000 2.449 37 K HA 0.482 4.802 4.320 -0.001 0.000 0.257 37 K C -1.469 175.197 176.600 0.110 0.000 0.989 37 K CA -0.509 55.843 56.287 0.109 0.000 0.916 37 K CB 1.327 33.902 32.500 0.126 0.000 1.136 37 K HN 0.318 nan 8.250 nan 0.000 0.439 38 V N 5.420 125.386 119.914 0.087 0.000 2.409 38 V HA 0.469 4.589 4.120 -0.001 0.000 0.291 38 V C -0.290 175.841 176.094 0.062 0.000 1.020 38 V CA -0.763 61.584 62.300 0.078 0.000 0.848 38 V CB 1.432 33.296 31.823 0.069 0.000 0.990 38 V HN 0.762 nan 8.190 nan 0.000 0.430 39 R N 3.893 124.428 120.500 0.058 0.000 2.778 39 R HA 0.788 5.128 4.340 -0.001 0.000 0.277 39 R C -1.036 175.279 176.300 0.025 0.000 0.977 39 R CA -0.805 55.318 56.100 0.038 0.000 0.950 39 R CB 2.776 33.097 30.300 0.035 0.000 1.165 39 R HN 0.711 nan 8.270 nan 0.000 0.474 40 I N 3.475 124.049 120.570 0.008 0.000 2.571 40 I HA 0.423 4.592 4.170 -0.001 0.000 0.289 40 I C -1.043 175.059 176.117 -0.024 0.000 1.115 40 I CA -0.745 60.553 61.300 -0.003 0.000 1.045 40 I CB 1.227 39.228 38.000 0.003 0.000 1.238 40 I HN 0.711 nan 8.210 nan 0.000 0.424 41 I N 4.089 124.634 120.570 -0.043 0.000 3.170 41 I HA 0.736 4.906 4.170 -0.001 0.000 0.312 41 I C -1.527 174.550 176.117 -0.067 0.000 1.085 41 I CA -0.491 60.765 61.300 -0.074 0.000 0.999 41 I CB 2.203 40.130 38.000 -0.121 0.000 1.233 41 I HN 0.553 nan 8.210 nan 0.000 0.467 42 D N 0.806 121.157 120.400 -0.082 0.000 2.769 42 D HA 0.143 4.783 4.640 -0.001 0.000 0.219 42 D C -0.493 175.767 176.300 -0.067 0.000 1.245 42 D CA -0.444 53.520 54.000 -0.061 0.000 0.801 42 D CB 2.372 43.149 40.800 -0.039 0.000 1.598 42 D HN 0.830 nan 8.370 nan 0.000 0.485 43 K N 1.464 121.832 120.400 -0.054 0.000 2.365 43 K HA 0.110 4.430 4.320 -0.001 0.000 0.197 43 K C 1.076 177.673 176.600 -0.005 0.000 1.042 43 K CA 0.231 56.490 56.287 -0.046 0.000 0.987 43 K CB 0.675 33.147 32.500 -0.047 0.000 0.779 43 K HN 0.007 nan 8.250 nan 0.000 0.484 44 R N 1.075 121.580 120.500 0.009 0.000 2.297 44 R HA 0.165 4.505 4.340 -0.001 0.000 0.308 44 R C 0.294 176.621 176.300 0.046 0.000 1.029 44 R CA -0.031 56.091 56.100 0.037 0.000 0.929 44 R CB 1.085 31.411 30.300 0.045 0.000 1.046 44 R HN 0.102 nan 8.270 nan 0.000 0.461 45 S N 1.199 116.952 115.700 0.087 0.000 2.368 45 S HA -0.154 4.315 4.470 -0.001 0.000 0.226 45 S C 0.974 175.616 174.600 0.069 0.000 1.044 45 S CA 2.086 60.356 58.200 0.116 0.000 1.062 45 S CB -0.091 63.227 63.200 0.197 0.000 0.931 45 S HN 0.859 nan 8.310 nan 0.000 0.440 46 T N 0.132 114.741 114.554 0.092 0.000 2.942 46 T HA 0.533 4.882 4.350 -0.001 0.000 0.289 46 T C -0.472 174.239 174.700 0.020 0.000 1.044 46 T CA -1.169 60.987 62.100 0.092 0.000 1.023 46 T CB 1.558 70.573 68.868 0.245 0.000 1.123 46 T HN 0.379 nan 8.240 nan 0.000 0.512 47 K N 0.993 121.345 120.400 -0.079 0.000 2.344 47 K HA 0.338 4.658 4.320 -0.001 0.000 0.260 47 K C -0.186 176.222 176.600 -0.321 0.000 0.988 47 K CA -0.855 55.304 56.287 -0.212 0.000 0.909 47 K CB -0.051 32.264 32.500 -0.308 0.000 0.968 47 K HN 0.349 nan 8.250 nan 0.000 0.505 48 V N 1.703 121.459 119.914 -0.262 0.000 2.811 48 V HA -0.052 4.068 4.120 -0.001 0.000 0.302 48 V C 0.223 176.071 176.094 -0.410 0.000 1.063 48 V CA 0.150 62.335 62.300 -0.191 0.000 1.088 48 V CB 0.309 32.077 31.823 -0.092 0.000 0.982 48 V HN 0.764 nan 8.190 nan 0.000 0.485 49 Y N 0.884 121.243 120.300 0.099 0.000 2.467 49 Y HA 0.351 4.901 4.550 -0.000 0.000 0.259 49 Y C 0.942 176.875 175.900 0.056 0.000 1.084 49 Y CA -0.281 57.903 58.100 0.140 0.000 1.275 49 Y CB 0.665 39.226 38.460 0.168 0.000 1.208 49 Y HN 0.559 nan 8.280 nan 0.000 0.511 50 N N -0.944 117.753 118.700 -0.005 0.000 2.396 50 N HA 0.412 5.151 4.740 -0.001 0.000 0.275 50 N C 0.151 175.262 175.510 -0.663 0.000 1.218 50 N CA 0.378 53.164 53.050 -0.440 0.000 0.812 50 N CB 2.416 40.829 38.487 -0.124 0.000 1.592 50 N HN 0.306 nan 8.380 nan 0.000 0.480 51 G N 0.915 109.190 108.800 -0.876 0.000 2.581 51 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.291 51 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.291 51 G C -0.103 174.059 174.900 -1.230 0.000 1.277 51 G CA 1.177 45.442 45.100 -1.391 0.000 0.959 51 G HN 0.808 nan 8.290 nan 0.000 0.554 52 Q N -2.873 115.788 119.800 -1.897 0.000 1.097 52 Q HA -0.094 4.245 4.340 -0.001 0.000 0.315 52 Q C 1.025 176.822 176.000 -0.338 0.000 1.024 52 Q CA 1.182 56.557 55.803 -0.714 0.000 0.655 52 Q CB -1.574 26.963 28.738 -0.335 0.000 4.546 52 Q HN 2.578 nan 8.270 nan 0.000 0.464 53 A N 1.475 124.209 122.820 -0.143 0.000 2.531 53 A HA 0.187 4.507 4.320 -0.001 0.000 0.236 53 A C 0.450 178.012 177.584 -0.036 0.000 1.062 53 A CA 1.061 53.073 52.037 -0.043 0.000 0.760 53 A CB -0.110 18.882 19.000 -0.014 0.000 0.995 53 A HN 0.658 nan 8.150 nan 0.000 0.501 54 D N 0.637 121.051 120.400 0.023 0.000 2.497 54 D HA 0.153 4.793 4.640 -0.001 0.000 0.256 54 D C 0.467 176.801 176.300 0.056 0.000 1.273 54 D CA 0.589 54.612 54.000 0.038 0.000 0.812 54 D CB -0.557 40.276 40.800 0.056 0.000 1.190 54 D HN 0.659 nan 8.370 nan 0.000 0.524 55 G N 0.763 109.604 108.800 0.068 0.000 2.348 55 G HA2 0.595 4.555 3.960 -0.001 0.000 0.312 55 G HA3 0.595 4.555 3.960 -0.001 0.000 0.312 55 G C -0.802 174.125 174.900 0.045 0.000 1.126 55 G CA -0.650 44.492 45.100 0.070 0.000 0.865 55 G HN 0.140 nan 8.290 nan 0.000 0.474 56 L N 2.617 123.859 121.223 0.032 0.000 2.342 56 L HA 0.356 4.696 4.340 -0.001 0.000 0.276 56 L C 0.064 176.936 176.870 0.004 0.000 0.997 56 L CA -0.835 54.005 54.840 0.001 0.000 0.838 56 L CB 1.798 43.840 42.059 -0.028 0.000 1.224 56 L HN 0.361 nan 8.230 nan 0.000 0.416 57 Q N 0.500 120.296 119.800 -0.006 0.000 2.237 57 Q HA 0.195 4.535 4.340 -0.001 0.000 0.219 57 Q C 0.997 176.979 176.000 -0.029 0.000 0.999 57 Q CA -0.365 55.434 55.803 -0.006 0.000 0.959 57 Q CB 1.790 30.518 28.738 -0.016 0.000 1.173 57 Q HN 0.799 nan 8.270 nan 0.000 0.527 58 C N 0.438 119.733 119.300 -0.008 0.000 2.376 58 C HA -0.193 4.266 4.460 -0.001 0.000 0.275 58 C C 2.504 177.471 174.990 -0.039 0.000 1.200 58 C CA 1.137 60.162 59.018 0.012 0.000 1.756 58 C CB -0.760 26.988 27.740 0.013 0.000 2.050 58 C HN 0.791 nan 8.230 nan 0.000 0.460 59 R N 1.207 121.657 120.500 -0.084 0.000 2.115 59 R HA -0.063 4.277 4.340 -0.001 0.000 0.226 59 R C 1.990 178.190 176.300 -0.167 0.000 1.100 59 R CA 2.086 58.114 56.100 -0.119 0.000 0.980 59 R CB -1.213 29.006 30.300 -0.134 0.000 0.875 59 R HN 0.542 nan 8.270 nan 0.000 0.445 60 T N 1.192 115.649 114.554 -0.162 0.000 2.684 60 T HA -0.108 4.242 4.350 -0.001 0.000 0.267 60 T C 1.729 176.277 174.700 -0.252 0.000 1.036 60 T CA 1.651 63.632 62.100 -0.199 0.000 1.148 60 T CB -0.211 68.578 68.868 -0.132 0.000 0.863 60 T HN 0.155 nan 8.240 nan 0.000 0.436 61 L N 0.541 121.607 121.223 -0.262 0.000 2.093 61 L HA -0.086 4.254 4.340 -0.001 0.000 0.208 61 L C 2.746 179.258 176.870 -0.596 0.000 1.085 61 L CA 1.343 55.906 54.840 -0.462 0.000 0.755 61 L CB -0.561 41.170 42.059 -0.546 0.000 0.904 61 L HN 0.333 nan 8.230 nan 0.000 0.435 62 E N -0.260 119.750 120.200 -0.317 0.000 2.058 62 E HA -0.191 4.158 4.350 -0.001 0.000 0.194 62 E C 2.310 178.802 176.600 -0.181 0.000 0.997 62 E CA 1.621 57.939 56.400 -0.137 0.000 0.801 62 E CB -0.067 29.621 29.700 -0.020 0.000 0.746 62 E HN 0.373 nan 8.360 nan 0.000 0.450 63 S N 1.040 116.583 115.700 -0.263 0.000 2.368 63 S HA -0.107 4.362 4.470 -0.001 0.000 0.225 63 S C 2.056 176.491 174.600 -0.275 0.000 1.030 63 S CA 0.750 58.727 58.200 -0.372 0.000 0.999 63 S CB -0.215 62.468 63.200 -0.862 0.000 0.844 63 S HN 0.180 nan 8.310 nan 0.000 0.459 64 L N 1.177 122.230 121.223 -0.283 0.000 2.079 64 L HA -0.164 4.176 4.340 -0.001 0.000 0.210 64 L C 2.533 179.301 176.870 -0.170 0.000 1.081 64 L CA 1.306 56.023 54.840 -0.204 0.000 0.752 64 L CB -0.445 41.482 42.059 -0.220 0.000 0.896 64 L HN 0.256 nan 8.230 nan 0.000 0.433 65 K N 0.903 121.171 120.400 -0.220 0.000 2.057 65 K HA -0.173 4.147 4.320 -0.001 0.000 0.207 65 K C 1.552 178.110 176.600 -0.071 0.000 1.049 65 K CA 1.792 57.992 56.287 -0.144 0.000 0.931 65 K CB -0.311 32.116 32.500 -0.122 0.000 0.714 65 K HN 0.318 nan 8.250 nan 0.000 0.440 66 N N -0.337 118.332 118.700 -0.052 0.000 2.453 66 N HA -0.025 4.714 4.740 -0.001 0.000 0.183 66 N C 0.811 176.326 175.510 0.007 0.000 1.041 66 N CA 0.610 53.652 53.050 -0.013 0.000 0.900 66 N CB 0.030 38.539 38.487 0.038 0.000 0.961 66 N HN 0.147 nan 8.380 nan 0.000 0.443 67 L N -0.406 120.825 121.223 0.012 0.000 2.607 67 L HA 0.221 4.560 4.340 -0.001 0.000 0.228 67 L C 1.008 177.865 176.870 -0.021 0.000 1.123 67 L CA -0.194 54.657 54.840 0.019 0.000 0.890 67 L CB 0.082 42.176 42.059 0.058 0.000 1.103 67 L HN 0.154 nan 8.230 nan 0.000 0.468 68 G N 0.669 109.444 108.800 -0.043 0.000 2.176 68 G HA2 -0.290 3.670 3.960 -0.001 0.000 0.252 68 G HA3 -0.290 3.670 3.960 -0.001 0.000 0.252 68 G C 0.491 175.345 174.900 -0.076 0.000 1.024 68 G CA 0.371 45.439 45.100 -0.053 0.000 0.755 68 G HN 0.388 nan 8.290 nan 0.000 0.507 69 L N -1.097 120.069 121.223 -0.095 0.000 2.858 69 L HA 0.474 4.814 4.340 -0.001 0.000 0.251 69 L C 2.553 179.327 176.870 -0.161 0.000 1.149 69 L CA 0.711 55.475 54.840 -0.128 0.000 0.955 69 L CB 0.097 42.101 42.059 -0.092 0.000 1.289 69 L HN 0.284 nan 8.230 nan 0.000 0.542 70 A N 0.267 122.988 122.820 -0.166 0.000 1.874 70 A HA -0.127 4.193 4.320 -0.001 0.000 0.214 70 A C 1.796 179.302 177.584 -0.130 0.000 1.189 70 A CA 1.439 53.355 52.037 -0.202 0.000 0.615 70 A CB -0.228 18.568 19.000 -0.340 0.000 0.830 70 A HN 0.277 nan 8.150 nan 0.000 0.443 71 D N 0.150 120.501 120.400 -0.082 0.000 2.149 71 D HA -0.142 4.497 4.640 -0.001 0.000 0.198 71 D C 1.827 178.082 176.300 -0.075 0.000 0.990 71 D CA 1.405 55.380 54.000 -0.042 0.000 0.839 71 D CB -0.278 40.515 40.800 -0.012 0.000 0.948 71 D HN 0.465 nan 8.370 nan 0.000 0.460 72 K N 0.340 120.648 120.400 -0.153 0.000 2.026 72 K HA -0.056 4.263 4.320 -0.001 0.000 0.208 72 K C 2.331 178.829 176.600 -0.170 0.000 1.048 72 K CA 0.690 56.836 56.287 -0.235 0.000 0.929 72 K CB -0.060 32.123 32.500 -0.529 0.000 0.713 72 K HN 0.139 nan 8.250 nan 0.000 0.439 73 I N 0.981 121.453 120.570 -0.164 0.000 2.226 73 I HA -0.291 3.879 4.170 -0.001 0.000 0.245 73 I C 2.066 178.180 176.117 -0.006 0.000 1.100 73 I CA 1.252 62.537 61.300 -0.025 0.000 1.374 73 I CB -0.262 37.711 38.000 -0.044 0.000 1.057 73 I HN 0.145 nan 8.210 nan 0.000 0.413 74 L N 0.563 121.772 121.223 -0.024 0.000 2.191 74 L HA -0.169 4.171 4.340 -0.001 0.000 0.212 74 L C 2.646 179.530 176.870 0.023 0.000 1.103 74 L CA 1.357 56.201 54.840 0.008 0.000 0.769 74 L CB -0.569 41.505 42.059 0.026 0.000 0.908 74 L HN 0.354 nan 8.230 nan 0.000 0.438 75 S N -1.335 114.377 115.700 0.020 0.000 2.507 75 S HA -0.113 4.356 4.470 -0.001 0.000 0.235 75 S C 1.501 176.129 174.600 0.046 0.000 0.988 75 S CA 0.918 59.138 58.200 0.033 0.000 0.944 75 S CB -0.029 63.190 63.200 0.032 0.000 0.762 75 S HN 0.549 nan 8.310 nan 0.000 0.526 76 E N 0.336 120.566 120.200 0.051 0.000 2.414 76 E HA 0.421 4.770 4.350 -0.001 0.000 0.208 76 E C 0.743 177.371 176.600 0.046 0.000 0.820 76 E CA 0.208 56.641 56.400 0.055 0.000 1.143 76 E CB 0.585 30.322 29.700 0.062 0.000 1.150 76 E HN 0.563 nan 8.360 nan 0.000 0.540 77 A N 1.617 124.460 122.820 0.040 0.000 2.366 77 A HA 0.241 4.561 4.320 -0.001 0.000 0.249 77 A C -0.069 177.546 177.584 0.051 0.000 1.084 77 A CA -0.122 51.939 52.037 0.040 0.000 0.794 77 A CB 0.236 19.255 19.000 0.030 0.000 1.034 77 A HN 0.105 nan 8.150 nan 0.000 0.491 78 N N 0.166 118.901 118.700 0.058 0.000 2.400 78 N HA 0.346 5.086 4.740 -0.001 0.000 0.288 78 N C -1.485 174.072 175.510 0.078 0.000 1.024 78 N CA -0.413 52.676 53.050 0.067 0.000 0.894 78 N CB 1.327 39.856 38.487 0.069 0.000 1.173 78 N HN 0.555 nan 8.380 nan 0.000 0.487 79 D N 3.759 124.211 120.400 0.086 0.000 2.396 79 D HA 0.147 4.786 4.640 -0.001 0.000 0.225 79 D C 0.880 177.241 176.300 0.100 0.000 1.121 79 D CA -0.125 53.941 54.000 0.110 0.000 0.853 79 D CB 0.597 41.482 40.800 0.143 0.000 1.043 79 D HN 0.584 nan 8.370 nan 0.000 0.500 80 M N 1.836 121.493 119.600 0.096 0.000 2.358 80 M HA -0.143 4.336 4.480 -0.001 0.000 0.264 80 M C 1.443 177.788 176.300 0.074 0.000 1.064 80 M CA 0.397 55.749 55.300 0.087 0.000 1.093 80 M CB -0.227 32.431 32.600 0.097 0.000 1.401 80 M HN 0.433 nan 8.290 nan 0.000 0.440 81 S N -1.343 114.397 115.700 0.065 0.000 1.637 81 S HA -0.189 4.280 4.470 -0.001 0.000 0.232 81 S C 0.686 175.287 174.600 0.003 0.000 0.808 81 S CA 2.106 60.328 58.200 0.037 0.000 1.437 81 S CB -1.089 62.144 63.200 0.055 0.000 1.838 81 S HN 0.619 nan 8.310 nan 0.000 0.525 82 T N 1.818 116.384 114.554 0.021 0.000 2.885 82 T HA 0.741 5.090 4.350 -0.001 0.000 0.285 82 T C -0.359 174.348 174.700 0.011 0.000 1.019 82 T CA -0.443 61.660 62.100 0.005 0.000 1.010 82 T CB 1.625 70.508 68.868 0.024 0.000 1.022 82 T HN 0.316 nan 8.240 nan 0.000 0.466 83 I N 2.269 122.812 120.570 -0.045 0.000 2.355 83 I HA 0.554 4.723 4.170 -0.001 0.000 0.288 83 I C 0.176 176.286 176.117 -0.010 0.000 0.999 83 I CA -0.825 60.434 61.300 -0.067 0.000 1.163 83 I CB 1.244 39.044 38.000 -0.333 0.000 1.316 83 I HN 0.656 nan 8.210 nan 0.000 0.454 84 A N 8.043 130.938 122.820 0.125 0.000 2.260 84 A HA 0.741 5.060 4.320 -0.001 0.000 0.314 84 A C -0.544 177.237 177.584 0.327 0.000 1.257 84 A CA -0.464 51.701 52.037 0.213 0.000 0.871 84 A CB 0.444 19.648 19.000 0.340 0.000 1.166 84 A HN 0.707 nan 8.150 nan 0.000 0.522 85 L N 2.928 124.292 121.223 0.234 0.000 2.264 85 L HA 0.426 4.765 4.340 -0.001 0.000 0.289 85 L C -1.190 175.869 176.870 0.315 0.000 1.044 85 L CA -0.399 54.629 54.840 0.312 0.000 0.807 85 L CB 0.658 42.845 42.059 0.214 0.000 1.192 85 L HN 0.662 nan 8.230 nan 0.000 0.425 86 Y N 2.453 122.907 120.300 0.257 0.000 2.376 86 Y HA 0.433 4.982 4.550 -0.000 0.000 0.340 86 Y C -0.071 175.964 175.900 0.224 0.000 0.965 86 Y CA -1.060 57.187 58.100 0.246 0.000 1.078 86 Y CB 1.946 40.602 38.460 0.326 0.000 1.193 86 Y HN 0.670 nan 8.280 nan 0.000 0.452 87 N N 1.707 120.584 118.700 0.295 0.000 2.610 87 N HA 0.610 5.350 4.740 -0.001 0.000 0.264 87 N C -3.472 172.144 175.510 0.177 0.000 1.348 87 N CA -2.340 50.839 53.050 0.216 0.000 0.819 87 N CB 2.099 40.666 38.487 0.134 0.000 1.521 87 N HN 0.034 nan 8.380 nan 0.000 0.497 88 P HA 0.172 nan 4.420 nan 0.000 0.271 88 P C -0.507 176.833 177.300 0.068 0.000 1.218 88 P CA 0.053 63.224 63.100 0.119 0.000 0.780 88 P CB 0.522 32.277 31.700 0.092 0.000 0.901 89 D N 0.556 120.985 120.400 0.049 0.000 2.274 89 D HA -0.034 4.605 4.640 -0.001 0.000 0.256 89 D C 1.335 177.606 176.300 -0.048 0.000 1.274 89 D CA -0.070 53.922 54.000 -0.014 0.000 0.998 89 D CB 0.324 41.069 40.800 -0.093 0.000 1.139 89 D HN 0.448 nan 8.370 nan 0.000 0.540 90 E N -0.607 119.549 120.200 -0.073 0.000 2.158 90 E HA -0.088 4.262 4.350 -0.001 0.000 0.191 90 E C 0.517 177.052 176.600 -0.108 0.000 0.982 90 E CA 0.429 56.788 56.400 -0.068 0.000 0.823 90 E CB 0.167 29.835 29.700 -0.054 0.000 0.766 90 E HN 0.252 nan 8.360 nan 0.000 0.468 91 N N -0.185 118.386 118.700 -0.216 0.000 2.314 91 N HA 0.054 4.793 4.740 -0.001 0.000 0.200 91 N C 0.650 175.916 175.510 -0.406 0.000 1.135 91 N CA 0.806 53.652 53.050 -0.340 0.000 0.835 91 N CB 1.050 39.232 38.487 -0.509 0.000 0.989 91 N HN 0.234 nan 8.380 nan 0.000 0.478 92 G N 0.915 109.599 108.800 -0.194 0.000 2.179 92 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.257 92 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.257 92 G C -0.480 174.513 174.900 0.155 0.000 1.010 92 G CA 0.031 45.127 45.100 -0.006 0.000 0.736 92 G HN 0.620 nan 8.290 nan 0.000 0.513 93 H N -0.355 118.764 119.070 0.083 0.000 2.562 93 H HA 0.490 5.046 4.556 -0.001 0.000 0.314 93 H C 1.268 176.686 175.328 0.150 0.000 1.079 93 H CA -0.730 55.377 56.048 0.099 0.000 1.349 93 H CB 0.971 30.768 29.762 0.058 0.000 1.432 93 H HN 0.492 nan 8.280 nan 0.000 0.479 94 I N 1.242 122.017 120.570 0.342 0.000 2.618 94 I HA 0.273 4.442 4.170 -0.001 0.000 0.284 94 I C -0.200 176.210 176.117 0.488 0.000 1.146 94 I CA -0.371 61.172 61.300 0.406 0.000 1.425 94 I CB 0.376 38.667 38.000 0.484 0.000 1.383 94 I HN 0.596 nan 8.210 nan 0.000 0.562 95 R N 3.527 124.245 120.500 0.362 0.000 2.710 95 R HA 0.513 4.853 4.340 -0.001 0.000 0.270 95 R C -1.026 175.111 176.300 -0.272 0.000 1.021 95 R CA -1.063 55.132 56.100 0.159 0.000 0.889 95 R CB 0.712 31.077 30.300 0.109 0.000 1.243 95 R HN 0.644 nan 8.270 nan 0.000 0.464 96 R N 0.846 120.904 120.500 -0.737 0.000 2.288 96 R HA 0.116 4.456 4.340 -0.001 0.000 0.330 96 R C 0.022 176.131 176.300 -0.318 0.000 1.069 96 R CA 0.558 56.125 56.100 -0.889 0.000 0.941 96 R CB 0.537 30.283 30.300 -0.923 0.000 0.998 96 R HN 0.959 nan 8.270 nan 0.000 0.452 97 T N -0.465 113.984 114.554 -0.175 0.000 3.044 97 T HA 0.154 4.504 4.350 -0.001 0.000 0.250 97 T C 0.256 174.926 174.700 -0.050 0.000 1.081 97 T CA -0.062 61.996 62.100 -0.070 0.000 1.040 97 T CB 0.355 69.216 68.868 -0.011 0.000 0.962 97 T HN 0.469 nan 8.240 nan 0.000 0.506 98 D N -0.215 120.152 120.400 -0.055 0.000 2.755 98 D HA 0.426 5.065 4.640 -0.001 0.000 0.277 98 D C -1.536 174.748 176.300 -0.026 0.000 1.261 98 D CA -0.647 53.334 54.000 -0.032 0.000 0.759 98 D CB 1.942 42.736 40.800 -0.010 0.000 1.279 98 D HN 0.115 nan 8.370 nan 0.000 0.420 99 R N 0.677 121.160 120.500 -0.029 0.000 2.574 99 R HA 0.665 5.005 4.340 -0.001 0.000 0.288 99 R C -0.573 175.694 176.300 -0.055 0.000 1.004 99 R CA -0.739 55.344 56.100 -0.029 0.000 0.895 99 R CB 2.048 32.339 30.300 -0.015 0.000 1.191 99 R HN 0.449 nan 8.270 nan 0.000 0.444 100 I N -0.895 119.620 120.570 -0.093 0.000 2.892 100 I HA 0.692 4.862 4.170 -0.001 0.000 0.306 100 I C -2.535 173.513 176.117 -0.115 0.000 1.078 100 I CA -3.113 58.119 61.300 -0.112 0.000 1.032 100 I CB 2.394 40.298 38.000 -0.160 0.000 1.229 100 I HN 0.340 nan 8.210 nan 0.000 0.435 101 P HA 0.068 nan 4.420 nan 0.000 0.271 101 P C -0.402 176.832 177.300 -0.109 0.000 1.216 101 P CA 0.295 63.336 63.100 -0.099 0.000 0.771 101 P CB 1.154 32.794 31.700 -0.101 0.000 0.864 102 D N 1.586 121.934 120.400 -0.087 0.000 2.183 102 D HA -0.057 4.582 4.640 -0.001 0.000 0.203 102 D C -0.126 176.147 176.300 -0.045 0.000 0.969 102 D CA 1.283 55.254 54.000 -0.049 0.000 0.842 102 D CB 0.254 41.053 40.800 -0.001 0.000 0.957 102 D HN 0.274 nan 8.370 nan 0.000 0.484 103 T N 0.205 114.693 114.554 -0.110 0.000 2.841 103 T HA 0.409 4.759 4.350 -0.001 0.000 0.283 103 T C -0.385 174.230 174.700 -0.141 0.000 1.000 103 T CA -0.709 61.317 62.100 -0.123 0.000 0.977 103 T CB 1.711 70.461 68.868 -0.197 0.000 0.979 103 T HN -0.031 nan 8.240 nan 0.000 0.446 104 L N 4.548 125.713 121.223 -0.096 0.000 2.410 104 L HA 0.281 4.621 4.340 -0.001 0.000 0.273 104 L C -1.961 174.855 176.870 -0.091 0.000 1.144 104 L CA -1.893 52.895 54.840 -0.086 0.000 0.863 104 L CB 0.099 42.119 42.059 -0.064 0.000 1.140 104 L HN 0.345 nan 8.230 nan 0.000 0.463 105 P HA -0.029 nan 4.420 nan 0.000 0.264 105 P C 0.871 178.141 177.300 -0.050 0.000 1.179 105 P CA 0.791 63.850 63.100 -0.067 0.000 0.763 105 P CB 0.627 32.295 31.700 -0.053 0.000 0.806 106 G N 2.696 111.474 108.800 -0.036 0.000 2.220 106 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.269 106 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.269 106 G C 0.983 175.851 174.900 -0.053 0.000 0.977 106 G CA 0.357 45.433 45.100 -0.040 0.000 0.634 106 G HN 0.573 nan 8.290 nan 0.000 0.539 107 I N 0.163 120.703 120.570 -0.051 0.000 2.493 107 I HA 0.240 4.410 4.170 -0.001 0.000 0.254 107 I C 1.176 177.259 176.117 -0.057 0.000 1.160 107 I CA 1.697 62.963 61.300 -0.057 0.000 1.445 107 I CB 0.083 38.049 38.000 -0.055 0.000 1.086 107 I HN 0.415 nan 8.210 nan 0.000 0.433 108 S N -1.103 114.573 115.700 -0.040 0.000 2.587 108 S HA 0.265 4.735 4.470 -0.001 0.000 0.269 108 S C 0.509 175.061 174.600 -0.080 0.000 1.154 108 S CA -0.853 57.317 58.200 -0.049 0.000 0.824 108 S CB 1.006 64.208 63.200 0.003 0.000 1.118 108 S HN 0.324 nan 8.310 nan 0.000 0.462 109 R N 0.505 120.878 120.500 -0.213 0.000 2.299 109 R HA 0.176 4.515 4.340 -0.001 0.000 0.197 109 R C -0.599 175.387 176.300 -0.524 0.000 0.971 109 R CA 0.377 56.226 56.100 -0.418 0.000 1.030 109 R CB -0.353 29.479 30.300 -0.781 0.000 0.932 109 R HN 0.492 nan 8.270 nan 0.000 0.477 110 Y N 0.861 121.102 120.300 -0.099 0.000 2.420 110 Y HA 0.374 4.924 4.550 -0.001 0.000 0.334 110 Y C 0.103 176.053 175.900 0.084 0.000 1.094 110 Y CA -0.901 57.152 58.100 -0.078 0.000 1.126 110 Y CB 1.330 39.740 38.460 -0.082 0.000 1.217 110 Y HN -0.029 nan 8.280 nan 0.000 0.462 111 H N 0.469 119.610 119.070 0.117 0.000 2.533 111 H HA 0.224 4.779 4.556 -0.001 0.000 0.343 111 H C -0.570 174.799 175.328 0.067 0.000 1.160 111 H CA -1.290 54.795 56.048 0.062 0.000 1.218 111 H CB 1.449 31.237 29.762 0.043 0.000 1.566 111 H HN 0.567 nan 8.280 nan 0.000 0.522 112 Q N 2.057 121.960 119.800 0.172 0.000 2.304 112 Q HA 0.129 4.469 4.340 -0.001 0.000 0.301 112 Q C -0.769 175.304 176.000 0.121 0.000 1.063 112 Q CA -0.196 55.674 55.803 0.111 0.000 0.947 112 Q CB 0.478 29.268 28.738 0.087 0.000 1.201 112 Q HN 0.456 nan 8.270 nan 0.000 0.389 113 V N 1.118 121.084 119.914 0.086 0.000 3.102 113 V HA 0.846 4.966 4.120 -0.001 0.000 0.312 113 V C -0.589 175.543 176.094 0.063 0.000 1.135 113 V CA -0.767 61.579 62.300 0.077 0.000 1.022 113 V CB 1.734 33.593 31.823 0.060 0.000 1.056 113 V HN 0.664 nan 8.190 nan 0.000 0.436 114 V N 0.769 120.723 119.914 0.066 0.000 2.680 114 V HA 0.980 5.100 4.120 -0.001 0.000 0.309 114 V C -0.878 175.245 176.094 0.048 0.000 1.052 114 V CA -0.782 61.556 62.300 0.063 0.000 0.908 114 V CB 1.379 33.252 31.823 0.084 0.000 1.001 114 V HN 1.456 nan 8.190 nan 0.000 0.431 115 L N 4.110 125.352 121.223 0.033 0.000 2.666 115 L HA 0.458 4.798 4.340 -0.001 0.000 0.259 115 L C -0.364 176.489 176.870 -0.027 0.000 0.919 115 L CA -0.271 54.567 54.840 -0.002 0.000 0.927 115 L CB 1.901 43.941 42.059 -0.031 0.000 1.423 115 L HN 1.148 nan 8.230 nan 0.000 0.426 116 H N 2.682 121.734 119.070 -0.030 0.000 2.836 116 H HA 0.067 4.623 4.556 -0.001 0.000 0.368 116 H C 0.339 175.612 175.328 -0.091 0.000 1.164 116 H CA 0.566 56.562 56.048 -0.087 0.000 1.425 116 H CB 0.831 30.520 29.762 -0.121 0.000 1.414 116 H HN 0.894 nan 8.280 nan 0.000 0.614 117 Q N 2.250 122.051 119.800 0.001 0.000 2.152 117 Q HA -0.129 4.211 4.340 -0.001 0.000 0.206 117 Q C 2.246 178.207 176.000 -0.066 0.000 0.985 117 Q CA 1.839 57.613 55.803 -0.049 0.000 0.863 117 Q CB -0.571 28.126 28.738 -0.068 0.000 0.904 117 Q HN 0.963 nan 8.270 nan 0.000 0.422 118 G N 0.815 109.662 108.800 0.079 0.000 2.440 118 G HA2 -0.281 3.678 3.960 -0.001 0.000 0.218 118 G HA3 -0.281 3.678 3.960 -0.001 0.000 0.218 118 G C 1.392 176.171 174.900 -0.201 0.000 1.154 118 G CA 0.662 45.748 45.100 -0.023 0.000 0.767 118 G HN 0.222 nan 8.290 nan 0.000 0.552 119 R N 0.335 120.565 120.500 -0.449 0.000 2.081 119 R HA 0.018 4.357 4.340 -0.001 0.000 0.235 119 R C 2.519 178.651 176.300 -0.281 0.000 1.131 119 R CA 0.639 56.500 56.100 -0.398 0.000 0.960 119 R CB -0.970 29.072 30.300 -0.430 0.000 0.856 119 R HN 0.358 nan 8.270 nan 0.000 0.436 120 I N 1.486 121.951 120.570 -0.174 0.000 2.113 120 I HA -0.208 3.961 4.170 -0.001 0.000 0.238 120 I C 2.204 178.290 176.117 -0.051 0.000 1.070 120 I CA 1.223 62.489 61.300 -0.058 0.000 1.332 120 I CB -1.225 36.747 38.000 -0.046 0.000 1.044 120 I HN 0.221 nan 8.210 nan 0.000 0.402 121 E N 0.552 120.699 120.200 -0.088 0.000 2.065 121 E HA -0.321 4.028 4.350 -0.001 0.000 0.201 121 E C 2.238 178.783 176.600 -0.092 0.000 1.016 121 E CA 1.979 58.328 56.400 -0.084 0.000 0.818 121 E CB -0.305 29.324 29.700 -0.117 0.000 0.749 121 E HN 0.294 nan 8.360 nan 0.000 0.453 122 R N 0.692 121.099 120.500 -0.155 0.000 2.113 122 R HA -0.217 4.122 4.340 -0.001 0.000 0.244 122 R C 2.221 178.465 176.300 -0.094 0.000 1.142 122 R CA 1.987 57.988 56.100 -0.165 0.000 0.953 122 R CB -0.559 29.584 30.300 -0.261 0.000 0.860 122 R HN 0.288 nan 8.270 nan 0.000 0.438 123 H N -0.269 118.779 119.070 -0.037 0.000 2.357 123 H HA 0.009 4.564 4.556 -0.001 0.000 0.301 123 H C 2.071 177.383 175.328 -0.026 0.000 1.082 123 H CA 1.833 57.863 56.048 -0.030 0.000 1.342 123 H CB -0.165 29.572 29.762 -0.041 0.000 1.389 123 H HN 0.292 nan 8.280 nan 0.000 0.511 124 I N 0.096 120.723 120.570 0.095 0.000 2.500 124 I HA -0.176 3.994 4.170 -0.001 0.000 0.252 124 I C 2.253 178.389 176.117 0.032 0.000 1.142 124 I CA 0.412 61.741 61.300 0.049 0.000 1.451 124 I CB -0.160 37.858 38.000 0.030 0.000 1.093 124 I HN 0.079 nan 8.210 nan 0.000 0.430 125 L N 0.563 121.797 121.223 0.018 0.000 2.042 125 L HA -0.252 4.088 4.340 -0.001 0.000 0.210 125 L C 2.101 178.983 176.870 0.021 0.000 1.076 125 L CA 1.357 56.201 54.840 0.007 0.000 0.749 125 L CB -0.654 41.395 42.059 -0.016 0.000 0.893 125 L HN 0.291 nan 8.230 nan 0.000 0.432 126 D N -1.133 119.293 120.400 0.044 0.000 2.149 126 D HA -0.152 4.488 4.640 -0.001 0.000 0.201 126 D C 2.347 178.670 176.300 0.038 0.000 0.972 126 D CA 1.246 55.276 54.000 0.050 0.000 0.835 126 D CB -0.094 40.760 40.800 0.089 0.000 0.966 126 D HN 0.101 nan 8.370 nan 0.000 0.476 127 S N 0.051 115.774 115.700 0.038 0.000 2.356 127 S HA -0.099 4.370 4.470 -0.001 0.000 0.223 127 S C 2.136 176.745 174.600 0.015 0.000 1.032 127 S CA 0.567 58.779 58.200 0.019 0.000 1.005 127 S CB -0.289 62.920 63.200 0.015 0.000 0.867 127 S HN 0.148 nan 8.310 nan 0.000 0.449 128 I N 1.628 122.210 120.570 0.019 0.000 2.118 128 I HA -0.274 3.896 4.170 -0.001 0.000 0.241 128 I C 2.750 178.874 176.117 0.013 0.000 1.070 128 I CA 1.401 62.711 61.300 0.016 0.000 1.327 128 I CB -0.565 37.445 38.000 0.016 0.000 1.034 128 I HN 0.371 nan 8.210 nan 0.000 0.405 129 A N -0.033 122.794 122.820 0.012 0.000 1.908 129 A HA -0.284 4.036 4.320 -0.001 0.000 0.218 129 A C 2.339 179.928 177.584 0.008 0.000 1.181 129 A CA 2.105 54.148 52.037 0.010 0.000 0.627 129 A CB -0.672 18.333 19.000 0.009 0.000 0.818 129 A HN 0.568 nan 8.150 nan 0.000 0.445 130 E N -0.287 119.919 120.200 0.009 0.000 2.015 130 E HA -0.161 4.189 4.350 -0.001 0.000 0.191 130 E C 1.904 178.504 176.600 0.000 0.000 0.991 130 E CA 1.342 57.745 56.400 0.005 0.000 0.802 130 E CB -0.196 29.507 29.700 0.005 0.000 0.759 130 E HN 0.420 nan 8.360 nan 0.000 0.447 131 I N 1.899 122.468 120.570 -0.002 0.000 2.163 131 I HA -0.232 3.938 4.170 -0.001 0.000 0.243 131 I C 2.672 178.786 176.117 -0.005 0.000 1.085 131 I CA 1.691 62.986 61.300 -0.010 0.000 1.347 131 I CB -1.676 36.315 38.000 -0.015 0.000 1.044 131 I HN 0.187 nan 8.210 nan 0.000 0.408 132 S N 0.137 115.839 115.700 0.004 0.000 2.701 132 S HA -0.067 4.403 4.470 -0.001 0.000 0.220 132 S C 0.719 175.325 174.600 0.010 0.000 0.954 132 S CA 0.206 58.413 58.200 0.011 0.000 0.936 132 S CB -0.777 62.434 63.200 0.018 0.000 0.777 132 S HN 0.471 nan 8.310 nan 0.000 0.518 133 D N 1.151 121.555 120.400 0.006 0.000 2.740 133 D HA -0.193 4.447 4.640 -0.001 0.000 0.231 133 D C 0.368 176.672 176.300 0.008 0.000 1.194 133 D CA 1.317 55.321 54.000 0.006 0.000 0.673 133 D CB -2.156 38.647 40.800 0.006 0.000 0.995 133 D HN 0.538 nan 8.370 nan 0.000 0.411 134 T N -1.394 113.165 114.554 0.007 0.000 7.714 134 T HA -0.349 4.001 4.350 -0.001 0.000 0.312 134 T C 1.398 176.104 174.700 0.009 0.000 1.937 134 T CA 1.524 63.628 62.100 0.007 0.000 2.886 134 T CB -0.928 67.942 68.868 0.004 0.000 2.426 134 T HN 0.573 nan 8.240 nan 0.000 1.226 135 R N -0.188 120.320 120.500 0.014 0.000 2.119 135 R HA 0.214 4.554 4.340 -0.001 0.000 0.222 135 R C 0.860 177.173 176.300 0.022 0.000 1.088 135 R CA 0.803 56.914 56.100 0.019 0.000 0.984 135 R CB 0.134 30.449 30.300 0.024 0.000 0.884 135 R HN 0.492 nan 8.270 nan 0.000 0.447 136 I N 2.048 122.631 120.570 0.021 0.000 2.312 136 I HA 0.179 4.349 4.170 -0.001 0.000 0.290 136 I C -0.552 175.573 176.117 0.013 0.000 1.008 136 I CA -0.166 61.147 61.300 0.022 0.000 1.226 136 I CB 1.399 39.415 38.000 0.026 0.000 1.371 136 I HN -0.068 nan 8.210 nan 0.000 0.468 137 K N 5.254 125.659 120.400 0.009 0.000 2.469 137 K HA 0.541 4.861 4.320 -0.001 0.000 0.254 137 K C -1.143 175.454 176.600 -0.005 0.000 0.939 137 K CA -0.932 55.355 56.287 0.000 0.000 0.812 137 K CB 3.025 35.523 32.500 -0.003 0.000 1.301 137 K HN 0.185 nan 8.250 nan 0.000 0.433 138 V N 2.371 122.276 119.914 -0.015 0.000 2.470 138 V HA 0.032 4.151 4.120 -0.001 0.000 0.276 138 V C 0.042 176.117 176.094 -0.031 0.000 1.040 138 V CA -0.090 62.196 62.300 -0.023 0.000 1.008 138 V CB 0.268 32.073 31.823 -0.029 0.000 0.990 138 V HN 0.673 nan 8.190 nan 0.000 0.477 139 E N 6.581 126.760 120.200 -0.035 0.000 2.089 139 E HA 0.557 4.906 4.350 -0.001 0.000 0.284 139 E C -0.045 176.510 176.600 -0.075 0.000 1.023 139 E CA -0.451 55.925 56.400 -0.040 0.000 0.819 139 E CB 0.930 30.614 29.700 -0.027 0.000 1.076 139 E HN 0.742 nan 8.360 nan 0.000 0.396 140 R N 1.934 122.386 120.500 -0.080 0.000 2.734 140 R HA 0.510 4.850 4.340 -0.001 0.000 0.271 140 R C -3.173 173.060 176.300 -0.112 0.000 1.021 140 R CA -2.247 53.801 56.100 -0.087 0.000 0.893 140 R CB 1.316 31.580 30.300 -0.060 0.000 1.244 140 R HN 0.134 nan 8.270 nan 0.000 0.464 141 P HA 0.287 nan 4.420 nan 0.000 0.287 141 P C -0.787 176.464 177.300 -0.082 0.000 1.294 141 P CA -0.326 62.762 63.100 -0.019 0.000 0.776 141 P CB 0.949 32.697 31.700 0.079 0.000 0.889 142 L N 4.382 125.503 121.223 -0.171 0.000 2.370 142 L HA 0.681 5.021 4.340 -0.001 0.000 0.266 142 L C 0.096 176.814 176.870 -0.252 0.000 1.002 142 L CA -1.120 53.536 54.840 -0.307 0.000 0.818 142 L CB 2.661 44.417 42.059 -0.505 0.000 1.325 142 L HN 0.328 nan 8.230 nan 0.000 0.418 143 I N 2.878 123.277 120.570 -0.284 0.000 2.607 143 I HA 0.439 4.609 4.170 -0.001 0.000 0.290 143 I C -2.530 173.352 176.117 -0.392 0.000 1.129 143 I CA -1.956 59.163 61.300 -0.300 0.000 1.042 143 I CB 3.494 41.351 38.000 -0.238 0.000 1.242 143 I HN 0.353 nan 8.210 nan 0.000 0.421 144 P HA 0.193 nan 4.420 nan 0.000 0.271 144 P C -0.574 176.234 177.300 -0.820 0.000 1.216 144 P CA 0.208 62.883 63.100 -0.710 0.000 0.771 144 P CB 0.830 31.932 31.700 -0.997 0.000 0.864 145 E N 0.905 120.842 120.200 -0.437 0.000 2.465 145 E HA 0.113 4.463 4.350 -0.001 0.000 0.209 145 E C 0.269 176.935 176.600 0.110 0.000 0.951 145 E CA 0.177 56.466 56.400 -0.184 0.000 0.997 145 E CB 0.511 30.163 29.700 -0.081 0.000 1.025 145 E HN 0.324 nan 8.360 nan 0.000 0.500 146 K N 0.581 121.069 120.400 0.145 0.000 2.562 146 K HA 0.413 4.733 4.320 -0.001 0.000 0.267 146 K C -1.937 174.860 176.600 0.328 0.000 0.938 146 K CA -0.579 55.891 56.287 0.305 0.000 0.840 146 K CB 1.834 34.419 32.500 0.141 0.000 1.390 146 K HN -0.059 nan 8.250 nan 0.000 0.428 147 M N 3.094 122.881 119.600 0.312 0.000 2.183 147 M HA 0.362 4.842 4.480 -0.001 0.000 0.277 147 M C -1.943 174.399 176.300 0.070 0.000 0.995 147 M CA -0.176 55.248 55.300 0.207 0.000 0.969 147 M CB 1.882 34.625 32.600 0.239 0.000 1.659 147 M HN 0.570 nan 8.290 nan 0.000 0.462 148 E N 5.572 125.801 120.200 0.049 0.000 2.176 148 E HA 0.573 4.922 4.350 -0.001 0.000 0.267 148 E C -1.309 175.298 176.600 0.012 0.000 0.893 148 E CA -0.565 55.847 56.400 0.021 0.000 0.761 148 E CB 2.541 32.259 29.700 0.029 0.000 1.133 148 E HN 0.638 nan 8.360 nan 0.000 0.409 149 I N 1.910 122.473 120.570 -0.012 0.000 2.404 149 I HA 0.202 4.371 4.170 -0.001 0.000 0.293 149 I C -0.473 175.634 176.117 -0.016 0.000 0.992 149 I CA -0.758 60.530 61.300 -0.020 0.000 1.149 149 I CB 1.494 39.467 38.000 -0.046 0.000 1.315 149 I HN 0.438 nan 8.210 nan 0.000 0.446 150 D N 4.150 124.542 120.400 -0.013 0.000 2.485 150 D HA 0.209 4.849 4.640 -0.001 0.000 0.229 150 D C 0.678 176.964 176.300 -0.022 0.000 1.101 150 D CA -0.120 53.873 54.000 -0.012 0.000 0.906 150 D CB 1.205 42.004 40.800 -0.002 0.000 1.019 150 D HN 0.412 nan 8.370 nan 0.000 0.516 151 S N 1.149 116.836 115.700 -0.022 0.000 2.447 151 S HA -0.153 4.316 4.470 -0.001 0.000 0.233 151 S C 1.953 176.541 174.600 -0.019 0.000 1.006 151 S CA 1.033 59.219 58.200 -0.023 0.000 0.957 151 S CB -0.015 63.175 63.200 -0.017 0.000 0.773 151 S HN 0.640 nan 8.310 nan 0.000 0.507 152 S N 1.578 117.269 115.700 -0.015 0.000 2.507 152 S HA 0.039 4.508 4.470 -0.001 0.000 0.235 152 S C 1.190 175.780 174.600 -0.016 0.000 0.988 152 S CA 0.490 58.682 58.200 -0.013 0.000 0.944 152 S CB -0.269 62.926 63.200 -0.009 0.000 0.762 152 S HN 0.494 nan 8.310 nan 0.000 0.526 153 K N 0.804 121.190 120.400 -0.023 0.000 2.372 153 K HA 0.465 4.785 4.320 -0.001 0.000 0.200 153 K C 1.892 178.464 176.600 -0.048 0.000 1.022 153 K CA 0.370 56.639 56.287 -0.030 0.000 1.125 153 K CB 0.101 32.585 32.500 -0.026 0.000 0.855 153 K HN 0.368 nan 8.250 nan 0.000 0.524 154 A N 1.928 124.722 122.820 -0.045 0.000 1.948 154 A HA -0.196 4.124 4.320 -0.001 0.000 0.220 154 A C 1.581 179.142 177.584 -0.039 0.000 1.177 154 A CA 1.567 53.573 52.037 -0.052 0.000 0.636 154 A CB -0.078 18.901 19.000 -0.035 0.000 0.815 154 A HN 0.165 nan 8.150 nan 0.000 0.449 155 E N 0.101 120.287 120.200 -0.023 0.000 2.476 155 E HA 0.060 4.409 4.350 -0.001 0.000 0.196 155 E C -0.559 176.031 176.600 -0.016 0.000 1.029 155 E CA -0.159 56.236 56.400 -0.009 0.000 0.896 155 E CB -0.061 29.639 29.700 0.000 0.000 1.012 155 E HN 0.543 nan 8.360 nan 0.000 0.475 156 D N 2.113 122.492 120.400 -0.034 0.000 2.316 156 D HA 0.059 4.698 4.640 -0.001 0.000 0.245 156 D C -1.387 174.879 176.300 -0.057 0.000 1.171 156 D CA -2.168 51.809 54.000 -0.037 0.000 0.856 156 D CB 1.629 42.407 40.800 -0.037 0.000 1.090 156 D HN -0.144 nan 8.370 nan 0.000 0.476 157 P HA -0.099 nan 4.420 nan 0.000 0.220 157 P C 0.601 177.848 177.300 -0.089 0.000 1.148 157 P CA 0.826 63.900 63.100 -0.043 0.000 0.803 157 P CB 0.576 32.268 31.700 -0.013 0.000 0.782 158 E N -0.471 119.682 120.200 -0.079 0.000 2.478 158 E HA 0.176 4.526 4.350 -0.001 0.000 0.194 158 E C 1.164 177.677 176.600 -0.144 0.000 1.045 158 E CA -0.050 56.294 56.400 -0.093 0.000 0.868 158 E CB -0.109 29.573 29.700 -0.030 0.000 0.885 158 E HN 0.205 nan 8.360 nan 0.000 0.505 159 A N 0.358 123.091 122.820 -0.146 0.000 2.296 159 A HA 0.373 4.692 4.320 -0.001 0.000 0.264 159 A C -0.752 176.662 177.584 -0.284 0.000 1.097 159 A CA -0.183 51.794 52.037 -0.100 0.000 0.811 159 A CB 0.188 19.153 19.000 -0.058 0.000 1.072 159 A HN 0.115 nan 8.150 nan 0.000 0.495 160 Y N 0.028 120.325 120.300 -0.005 0.000 2.748 160 Y HA 0.326 4.876 4.550 -0.001 0.000 0.359 160 Y C -1.904 173.990 175.900 -0.011 0.000 1.030 160 Y CA -1.466 56.647 58.100 0.021 0.000 1.169 160 Y CB 1.170 39.718 38.460 0.147 0.000 1.127 160 Y HN 0.507 nan 8.280 nan 0.000 0.644 161 P HA -0.048 nan 4.420 nan 0.000 0.229 161 P C -0.171 177.137 177.300 0.013 0.000 1.160 161 P CA 0.917 64.010 63.100 -0.012 0.000 0.777 161 P CB 0.499 32.148 31.700 -0.085 0.000 0.814 162 V N -0.098 119.835 119.914 0.031 0.000 2.384 162 V HA 0.273 4.393 4.120 -0.001 0.000 0.287 162 V C 0.042 176.188 176.094 0.088 0.000 1.020 162 V CA -0.391 61.932 62.300 0.039 0.000 0.850 162 V CB 1.455 33.283 31.823 0.008 0.000 0.987 162 V HN -0.138 nan 8.190 nan 0.000 0.436 163 T N 6.592 121.194 114.554 0.080 0.000 2.743 163 T HA 0.555 4.905 4.350 -0.001 0.000 0.292 163 T C -0.177 174.525 174.700 0.004 0.000 0.972 163 T CA -0.463 61.667 62.100 0.049 0.000 0.967 163 T CB 0.706 69.624 68.868 0.083 0.000 0.926 163 T HN 0.364 nan 8.240 nan 0.000 0.459 164 M N 2.996 122.569 119.600 -0.045 0.000 2.268 164 M HA 0.360 4.839 4.480 -0.001 0.000 0.344 164 M C 0.022 176.275 176.300 -0.080 0.000 1.106 164 M CA -0.585 54.698 55.300 -0.029 0.000 1.010 164 M CB 1.327 33.910 32.600 -0.028 0.000 1.649 164 M HN 0.390 nan 8.290 nan 0.000 0.443 165 T N 5.047 119.567 114.554 -0.058 0.000 2.770 165 T HA 0.679 5.029 4.350 -0.001 0.000 0.297 165 T C 0.085 174.715 174.700 -0.117 0.000 0.997 165 T CA -0.493 61.568 62.100 -0.066 0.000 0.949 165 T CB 0.621 69.478 68.868 -0.017 0.000 0.941 165 T HN 0.457 nan 8.240 nan 0.000 0.457 166 L N 3.063 124.214 121.223 -0.120 0.000 2.331 166 L HA 0.674 5.013 4.340 -0.001 0.000 0.275 166 L C 0.343 177.124 176.870 -0.149 0.000 1.022 166 L CA -1.098 53.628 54.840 -0.190 0.000 0.812 166 L CB 1.771 43.685 42.059 -0.241 0.000 1.257 166 L HN 0.395 nan 8.230 nan 0.000 0.435 167 R N 1.115 121.489 120.500 -0.210 0.000 2.534 167 R HA 0.400 4.740 4.340 -0.001 0.000 0.301 167 R C -1.538 174.635 176.300 -0.211 0.000 0.961 167 R CA -0.643 55.386 56.100 -0.118 0.000 0.871 167 R CB 1.240 31.490 30.300 -0.084 0.000 1.170 167 R HN 0.380 nan 8.270 nan 0.000 0.446 168 Y N 4.504 124.767 120.300 -0.062 0.000 2.436 168 Y HA 0.166 4.716 4.550 -0.001 0.000 0.336 168 Y C 0.561 176.457 175.900 -0.006 0.000 1.049 168 Y CA 0.189 58.266 58.100 -0.037 0.000 1.294 168 Y CB 0.869 39.305 38.460 -0.040 0.000 1.179 168 Y HN 0.377 nan 8.280 nan 0.000 0.520 169 M N 2.298 121.955 119.600 0.094 0.000 2.368 169 M HA 0.390 4.870 4.480 -0.001 0.000 0.311 169 M C 0.269 176.685 176.300 0.193 0.000 1.168 169 M CA -0.618 54.739 55.300 0.096 0.000 1.044 169 M CB 1.242 33.870 32.600 0.046 0.000 1.506 169 M HN 0.639 nan 8.290 nan 0.000 0.475 170 S N -1.083 114.652 115.700 0.058 0.000 2.687 170 S HA 0.207 4.676 4.470 -0.001 0.000 0.283 170 S C 0.544 174.869 174.600 -0.458 0.000 1.170 170 S CA -0.803 57.331 58.200 -0.111 0.000 1.008 170 S CB 1.302 64.441 63.200 -0.102 0.000 1.026 170 S HN 0.784 nan 8.310 nan 0.000 0.541 171 D N 0.454 120.101 120.400 -1.255 0.000 2.116 171 D HA -0.207 4.433 4.640 -0.001 0.000 0.193 171 D C 1.307 177.135 176.300 -0.786 0.000 0.998 171 D CA 1.650 54.801 54.000 -1.415 0.000 0.836 171 D CB -0.371 39.489 40.800 -1.567 0.000 0.951 171 D HN 0.737 nan 8.370 nan 0.000 0.449 172 H N -0.186 118.728 119.070 -0.262 0.000 2.547 172 H HA 0.055 4.610 4.556 -0.000 0.000 0.266 172 H C 1.561 176.838 175.328 -0.085 0.000 0.988 172 H CA 0.743 56.711 56.048 -0.134 0.000 1.147 172 H CB 0.231 29.927 29.762 -0.111 0.000 1.365 172 H HN 0.566 nan 8.280 nan 0.000 0.589 173 E N 0.433 120.608 120.200 -0.042 0.000 2.460 173 E HA 0.010 4.360 4.350 -0.001 0.000 0.200 173 E C 0.353 176.949 176.600 -0.007 0.000 1.011 173 E CA -0.124 56.270 56.400 -0.009 0.000 0.912 173 E CB 0.393 30.087 29.700 -0.010 0.000 0.953 173 E HN -0.031 nan 8.360 nan 0.000 0.494 174 S N 0.637 116.325 115.700 -0.020 0.000 2.537 174 S HA 0.196 4.666 4.470 -0.001 0.000 0.275 174 S C -0.272 174.341 174.600 0.022 0.000 1.272 174 S CA -0.401 57.806 58.200 0.012 0.000 1.050 174 S CB 1.235 64.462 63.200 0.044 0.000 0.961 174 S HN 0.165 nan 8.310 nan 0.000 0.496 175 T N 7.442 122.018 114.554 0.036 0.000 2.728 175 T HA 0.428 4.778 4.350 -0.001 0.000 0.296 175 T C -2.281 172.458 174.700 0.064 0.000 0.940 175 T CA -0.856 61.272 62.100 0.047 0.000 1.013 175 T CB 0.942 69.838 68.868 0.046 0.000 0.912 175 T HN 0.576 nan 8.240 nan 0.000 0.484 176 P HA 0.331 nan 4.420 nan 0.000 0.278 176 P C -0.493 176.868 177.300 0.102 0.000 1.238 176 P CA -0.622 62.532 63.100 0.090 0.000 0.794 176 P CB 0.932 32.681 31.700 0.081 0.000 0.955 177 L N 2.007 123.313 121.223 0.139 0.000 2.371 177 L HA 0.152 4.492 4.340 -0.001 0.000 0.272 177 L C 2.255 179.210 176.870 0.142 0.000 1.124 177 L CA -0.157 54.790 54.840 0.178 0.000 0.816 177 L CB 0.416 42.619 42.059 0.241 0.000 1.129 177 L HN 0.536 nan 8.230 nan 0.000 0.448 178 Q N 2.351 122.209 119.800 0.097 0.000 2.224 178 Q HA -0.100 4.240 4.340 -0.001 0.000 0.203 178 Q C 0.008 175.818 176.000 -0.316 0.000 0.970 178 Q CA 1.421 57.133 55.803 -0.152 0.000 0.865 178 Q CB 0.165 28.740 28.738 -0.272 0.000 0.922 178 Q HN 0.560 nan 8.270 nan 0.000 0.445 179 F N 0.585 120.680 119.950 0.241 0.000 2.366 179 F HA 0.431 4.958 4.527 -0.000 0.000 0.328 179 F C 0.730 176.662 175.800 0.219 0.000 1.180 179 F CA -0.625 57.521 58.000 0.244 0.000 1.232 179 F CB 0.603 39.829 39.000 0.377 0.000 1.513 179 F HN -0.028 nan 8.300 nan 0.000 0.540 180 G N -0.562 108.384 108.800 0.244 0.000 2.543 180 G HA2 0.053 4.013 3.960 -0.001 0.000 0.290 180 G HA3 0.053 4.013 3.960 -0.001 0.000 0.290 180 G C -0.633 174.325 174.900 0.096 0.000 1.310 180 G CA -0.504 44.742 45.100 0.243 0.000 1.025 180 G HN 0.515 nan 8.290 nan 0.000 0.502 181 H N 0.136 119.040 119.070 -0.277 0.000 3.064 181 H HA 0.057 4.612 4.556 -0.001 0.000 0.329 181 H C -0.478 174.705 175.328 -0.243 0.000 1.020 181 H CA 0.952 56.604 56.048 -0.660 0.000 1.402 181 H CB 0.371 29.355 29.762 -1.296 0.000 1.379 181 H HN 0.160 nan 8.280 nan 0.000 0.594 182 K N 3.865 123.717 120.400 -0.913 0.000 2.413 182 K HA 0.171 4.491 4.320 -0.001 0.000 0.257 182 K C -0.362 175.881 176.600 -0.595 0.000 0.946 182 K CA -0.643 55.346 56.287 -0.497 0.000 0.823 182 K CB 1.611 33.985 32.500 -0.210 0.000 1.109 182 K HN 0.558 nan 8.250 nan 0.000 0.427 183 T N 2.812 117.209 114.554 -0.261 0.000 2.946 183 T HA -0.010 4.340 4.350 -0.001 0.000 0.311 183 T C -0.034 174.658 174.700 -0.013 0.000 1.063 183 T CA 0.094 62.173 62.100 -0.035 0.000 1.139 183 T CB 0.342 69.256 68.868 0.077 0.000 0.994 183 T HN 0.328 nan 8.240 nan 0.000 0.547 184 E N 3.468 123.717 120.200 0.083 0.000 2.290 184 E HA 0.102 4.451 4.350 -0.001 0.000 0.277 184 E C 0.341 176.943 176.600 0.004 0.000 1.035 184 E CA -0.380 56.036 56.400 0.027 0.000 0.873 184 E CB 0.401 30.090 29.700 -0.018 0.000 1.029 184 E HN 0.448 nan 8.360 nan 0.000 0.419 185 N N 2.167 120.869 118.700 0.003 0.000 2.356 185 N HA -0.054 4.686 4.740 -0.001 0.000 0.252 185 N C 0.355 175.865 175.510 -0.000 0.000 1.241 185 N CA 0.759 53.815 53.050 0.009 0.000 0.861 185 N CB 0.407 38.900 38.487 0.011 0.000 1.075 185 N HN 0.726 nan 8.380 nan 0.000 0.461 186 S N 0.399 116.108 115.700 0.014 0.000 4.142 186 S HA -0.141 4.328 4.470 -0.001 0.000 0.650 186 S C 0.248 174.864 174.600 0.026 0.000 0.953 186 S CA -0.477 57.736 58.200 0.021 0.000 1.129 186 S CB -0.909 62.308 63.200 0.027 0.000 0.339 186 S HN 0.350 nan 8.310 nan 0.000 1.455 187 L N -0.093 121.164 121.223 0.058 0.000 2.463 187 L HA 0.419 4.759 4.340 -0.001 0.000 0.219 187 L C 1.294 178.228 176.870 0.106 0.000 1.088 187 L CA 0.327 55.223 54.840 0.093 0.000 0.849 187 L CB -0.196 41.919 42.059 0.095 0.000 1.012 187 L HN 0.631 nan 8.230 nan 0.000 0.468 188 F N 1.469 121.376 119.950 -0.071 0.000 2.484 188 F HA 0.255 4.782 4.527 -0.001 0.000 0.360 188 F C -0.159 175.513 175.800 -0.213 0.000 1.101 188 F CA 0.019 57.979 58.000 -0.068 0.000 1.251 188 F CB 0.267 39.231 39.000 -0.061 0.000 1.132 188 F HN -0.035 nan 8.300 nan 0.000 0.570 189 H N 2.802 121.303 119.070 -0.950 0.000 2.934 189 H HA 0.324 4.880 4.556 -0.001 0.000 0.340 189 H C -0.411 174.317 175.328 -0.999 0.000 1.008 189 H CA -0.541 55.034 56.048 -0.789 0.000 1.317 189 H CB 1.478 31.057 29.762 -0.304 0.000 1.670 189 H HN 0.715 nan 8.280 nan 0.000 0.516 190 S N 1.985 117.277 115.700 -0.679 0.000 2.661 190 S HA 0.139 4.609 4.470 -0.001 0.000 0.265 190 S C 1.021 175.570 174.600 -0.086 0.000 1.225 190 S CA -0.675 57.366 58.200 -0.265 0.000 0.986 190 S CB 0.868 64.068 63.200 -0.000 0.000 1.008 190 S HN 0.681 nan 8.310 nan 0.000 0.565 191 N N -0.028 118.663 118.700 -0.016 0.000 2.216 191 N HA -0.029 4.711 4.740 -0.001 0.000 0.183 191 N C 1.548 177.074 175.510 0.026 0.000 1.017 191 N CA 0.507 53.559 53.050 0.003 0.000 0.861 191 N CB -0.915 37.584 38.487 0.019 0.000 0.986 191 N HN 0.339 nan 8.380 nan 0.000 0.428 192 L N 2.154 123.407 121.223 0.049 0.000 1.978 192 L HA -0.210 4.130 4.340 -0.001 0.000 0.218 192 L C 2.455 179.370 176.870 0.074 0.000 1.075 192 L CA 1.664 56.534 54.840 0.050 0.000 0.767 192 L CB -1.294 40.795 42.059 0.050 0.000 0.890 192 L HN 0.186 nan 8.230 nan 0.000 0.434 193 Q N -1.634 118.230 119.800 0.108 0.000 2.077 193 Q HA -0.236 4.104 4.340 -0.001 0.000 0.206 193 Q C 2.049 178.124 176.000 0.126 0.000 0.989 193 Q CA 2.511 58.426 55.803 0.186 0.000 0.853 193 Q CB -0.279 28.605 28.738 0.244 0.000 0.907 193 Q HN 0.538 nan 8.270 nan 0.000 0.418 194 T N 0.505 115.077 114.554 0.029 0.000 2.708 194 T HA -0.151 4.199 4.350 -0.001 0.000 0.266 194 T C 1.740 176.403 174.700 -0.061 0.000 1.037 194 T CA 1.045 63.090 62.100 -0.090 0.000 1.146 194 T CB -0.123 68.685 68.868 -0.100 0.000 0.865 194 T HN 0.221 nan 8.240 nan 0.000 0.435 195 Q N 0.975 120.765 119.800 -0.016 0.000 2.061 195 Q HA -0.100 4.240 4.340 -0.001 0.000 0.204 195 Q C 2.415 178.422 176.000 0.011 0.000 0.984 195 Q CA 1.171 56.969 55.803 -0.008 0.000 0.846 195 Q CB -0.419 28.324 28.738 0.007 0.000 0.902 195 Q HN 0.537 nan 8.270 nan 0.000 0.421 196 E N 0.849 121.089 120.200 0.067 0.000 2.058 196 E HA -0.206 4.143 4.350 -0.001 0.000 0.194 196 E C 1.885 178.428 176.600 -0.094 0.000 0.997 196 E CA 0.925 57.441 56.400 0.195 0.000 0.801 196 E CB -0.077 29.841 29.700 0.364 0.000 0.746 196 E HN 0.499 nan 8.360 nan 0.000 0.450 197 E N 0.303 120.332 120.200 -0.284 0.000 2.150 197 E HA -0.173 4.177 4.350 -0.001 0.000 0.193 197 E C 1.732 178.157 176.600 -0.291 0.000 0.985 197 E CA 0.958 57.039 56.400 -0.532 0.000 0.814 197 E CB 0.163 29.692 29.700 -0.286 0.000 0.752 197 E HN 0.336 nan 8.360 nan 0.000 0.466 198 E N 0.366 120.473 120.200 -0.154 0.000 2.112 198 E HA -0.132 4.217 4.350 -0.001 0.000 0.190 198 E C 1.533 178.099 176.600 -0.056 0.000 0.979 198 E CA 0.974 57.317 56.400 -0.095 0.000 0.814 198 E CB -0.005 29.653 29.700 -0.070 0.000 0.762 198 E HN 0.152 nan 8.360 nan 0.000 0.460 199 D N 1.250 121.637 120.400 -0.021 0.000 2.221 199 D HA -0.114 4.526 4.640 -0.001 0.000 0.204 199 D C 1.670 178.030 176.300 0.100 0.000 0.982 199 D CA 1.273 55.297 54.000 0.041 0.000 0.857 199 D CB -0.179 40.662 40.800 0.068 0.000 0.934 199 D HN 0.259 nan 8.370 nan 0.000 0.475 200 A N 0.066 122.914 122.820 0.047 0.000 2.206 200 A HA -0.022 4.298 4.320 -0.001 0.000 0.211 200 A C 0.675 178.268 177.584 0.015 0.000 1.158 200 A CA 0.107 52.153 52.037 0.014 0.000 0.761 200 A CB -0.080 18.699 19.000 -0.369 0.000 0.801 200 A HN 0.090 nan 8.150 nan 0.000 0.473 201 N N -0.577 118.125 118.700 0.003 0.000 2.487 201 N HA 0.302 5.042 4.740 -0.001 0.000 0.292 201 N C -0.665 174.881 175.510 0.059 0.000 1.108 201 N CA -0.380 52.690 53.050 0.034 0.000 0.956 201 N CB 0.795 39.285 38.487 0.005 0.000 1.176 201 N HN 0.351 nan 8.380 nan 0.000 0.484 202 Y N 1.605 121.891 120.300 -0.025 0.000 2.497 202 Y HA 0.203 4.753 4.550 -0.000 0.000 0.334 202 Y C 0.198 176.082 175.900 -0.026 0.000 1.199 202 Y CA 0.206 58.285 58.100 -0.035 0.000 1.425 202 Y CB 0.664 39.079 38.460 -0.075 0.000 1.291 202 Y HN 0.446 nan 8.280 nan 0.000 0.562 203 R N 7.324 127.282 120.500 -0.904 0.000 3.233 203 R HA 0.176 4.515 4.340 -0.001 0.000 0.301 203 R C -1.862 174.141 176.300 -0.495 0.000 1.018 203 R CA -0.427 55.292 56.100 -0.634 0.000 0.989 203 R CB 0.146 30.295 30.300 -0.252 0.000 1.393 203 R HN 0.881 nan 8.270 nan 0.000 0.370 204 L N 4.144 125.050 121.223 -0.527 0.000 2.492 204 L HA 0.203 4.543 4.340 -0.001 0.000 0.280 204 L C -1.672 175.139 176.870 -0.097 0.000 1.240 204 L CA -1.411 53.310 54.840 -0.198 0.000 0.831 204 L CB 0.053 42.080 42.059 -0.052 0.000 1.100 204 L HN 0.306 nan 8.230 nan 0.000 0.505 205 P HA -0.028 nan 4.420 nan 0.000 0.267 205 P C -0.658 176.617 177.300 -0.041 0.000 1.201 205 P CA -0.182 62.923 63.100 0.009 0.000 0.775 205 P CB 0.371 32.130 31.700 0.100 0.000 0.854 206 E N 0.986 121.159 120.200 -0.045 0.000 2.366 206 E HA 0.301 4.651 4.350 -0.001 0.000 0.266 206 E C 1.536 178.089 176.600 -0.079 0.000 1.015 206 E CA 1.475 57.840 56.400 -0.058 0.000 0.906 206 E CB -0.474 29.201 29.700 -0.042 0.000 0.979 206 E HN 0.692 nan 8.360 nan 0.000 0.443 207 G N 4.040 112.788 108.800 -0.087 0.000 2.299 207 G HA2 -0.250 3.710 3.960 -0.001 0.000 0.237 207 G HA3 -0.250 3.710 3.960 -0.001 0.000 0.237 207 G C 0.134 174.940 174.900 -0.157 0.000 1.027 207 G CA 0.090 45.130 45.100 -0.101 0.000 0.619 207 G HN 0.419 nan 8.290 nan 0.000 0.513 208 K N 2.154 122.415 120.400 -0.232 0.000 2.436 208 K HA 0.374 4.693 4.320 -0.001 0.000 0.275 208 K C 0.685 177.142 176.600 -0.238 0.000 0.999 208 K CA 0.542 56.578 56.287 -0.417 0.000 0.980 208 K CB 0.930 32.979 32.500 -0.751 0.000 0.919 208 K HN 0.881 nan 8.250 nan 0.000 0.484 209 E N 0.163 120.227 120.200 -0.227 0.000 2.256 209 E HA 0.552 4.902 4.350 -0.001 0.000 0.267 209 E C -0.990 175.605 176.600 -0.008 0.000 0.892 209 E CA -1.133 55.220 56.400 -0.079 0.000 0.775 209 E CB 1.524 31.180 29.700 -0.072 0.000 1.207 209 E HN 0.432 nan 8.360 nan 0.000 0.420 210 A N 1.576 124.438 122.820 0.069 0.000 2.546 210 A HA 0.431 4.751 4.320 -0.001 0.000 0.243 210 A C 1.210 178.819 177.584 0.042 0.000 1.063 210 A CA 0.851 52.953 52.037 0.107 0.000 0.757 210 A CB -0.732 18.328 19.000 0.100 0.000 0.991 210 A HN 1.318 nan 8.150 nan 0.000 0.503 211 G N 1.224 110.054 108.800 0.050 0.000 2.259 211 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.217 211 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.217 211 G C 0.264 175.133 174.900 -0.051 0.000 1.001 211 G CA 0.310 45.404 45.100 -0.011 0.000 0.627 211 G HN 1.207 nan 8.290 nan 0.000 0.501 212 E N 0.785 120.967 120.200 -0.030 0.000 2.414 212 E HA 0.434 4.784 4.350 -0.001 0.000 0.263 212 E C -0.110 176.520 176.600 0.050 0.000 1.000 212 E CA -0.172 56.177 56.400 -0.085 0.000 0.914 212 E CB 0.207 29.778 29.700 -0.215 0.000 0.948 212 E HN 0.369 nan 8.360 nan 0.000 0.444 213 I N 4.220 124.747 120.570 -0.071 0.000 2.389 213 I HA 0.216 4.386 4.170 -0.001 0.000 0.288 213 I C -0.211 175.973 176.117 0.111 0.000 0.999 213 I CA -0.443 60.873 61.300 0.026 0.000 1.129 213 I CB 1.602 39.584 38.000 -0.030 0.000 1.288 213 I HN 0.606 nan 8.210 nan 0.000 0.444 214 E N 4.518 124.795 120.200 0.129 0.000 2.171 214 E HA 0.404 4.753 4.350 -0.001 0.000 0.271 214 E C -1.132 175.465 176.600 -0.005 0.000 0.916 214 E CA -0.559 55.898 56.400 0.095 0.000 0.774 214 E CB 1.638 31.444 29.700 0.178 0.000 1.128 214 E HN 0.416 nan 8.360 nan 0.000 0.403 215 T N 3.372 117.886 114.554 -0.067 0.000 2.738 215 T HA 0.284 4.634 4.350 -0.001 0.000 0.298 215 T C -0.634 173.847 174.700 -0.365 0.000 0.962 215 T CA -0.422 61.554 62.100 -0.206 0.000 0.972 215 T CB 0.637 69.369 68.868 -0.226 0.000 0.928 215 T HN 0.186 nan 8.240 nan 0.000 0.474 216 V N 5.601 125.312 119.914 -0.337 0.000 2.357 216 V HA 0.268 4.388 4.120 -0.001 0.000 0.284 216 V C -0.054 175.817 176.094 -0.373 0.000 1.018 216 V CA -1.037 61.070 62.300 -0.322 0.000 0.841 216 V CB 0.758 32.500 31.823 -0.135 0.000 0.991 216 V HN 0.797 nan 8.190 nan 0.000 0.437 217 H N 3.138 122.020 119.070 -0.314 0.000 2.800 217 H HA 0.366 4.921 4.556 -0.001 0.000 0.291 217 H C -0.335 175.023 175.328 0.050 0.000 1.076 217 H CA -0.253 55.645 56.048 -0.251 0.000 1.452 217 H CB 1.152 30.472 29.762 -0.737 0.000 1.461 217 H HN 0.653 nan 8.280 nan 0.000 0.488 218 C N 3.522 122.981 119.300 0.265 0.000 2.456 218 C HA 0.243 4.703 4.460 -0.001 0.000 0.325 218 C C 1.761 176.852 174.990 0.169 0.000 1.217 218 C CA -0.992 58.184 59.018 0.264 0.000 1.687 218 C CB 1.990 29.808 27.740 0.130 0.000 2.270 218 C HN 0.801 nan 8.230 nan 0.000 0.499 219 K N 0.475 120.907 120.400 0.054 0.000 2.062 219 K HA 0.016 4.336 4.320 -0.001 0.000 0.205 219 K C -0.534 175.710 176.600 -0.593 0.000 1.051 219 K CA 1.491 57.576 56.287 -0.337 0.000 0.941 219 K CB 0.065 32.363 32.500 -0.336 0.000 0.719 219 K HN 0.666 nan 8.250 nan 0.000 0.440 220 Y N -0.909 119.427 120.300 0.059 0.000 2.534 220 Y HA 0.346 4.896 4.550 -0.001 0.000 0.345 220 Y C -0.695 175.257 175.900 0.087 0.000 1.031 220 Y CA -1.128 57.017 58.100 0.076 0.000 1.022 220 Y CB 2.109 40.636 38.460 0.111 0.000 1.292 220 Y HN -0.399 nan 8.280 nan 0.000 0.459 221 V N 4.211 124.271 119.914 0.242 0.000 2.709 221 V HA 0.527 4.646 4.120 -0.001 0.000 0.308 221 V C -0.781 175.443 176.094 0.217 0.000 1.062 221 V CA -0.854 61.551 62.300 0.175 0.000 0.901 221 V CB 2.104 33.994 31.823 0.111 0.000 1.003 221 V HN 0.556 nan 8.190 nan 0.000 0.425 222 I N 3.367 124.039 120.570 0.169 0.000 2.410 222 I HA 0.543 4.712 4.170 -0.001 0.000 0.286 222 I C 0.730 176.910 176.117 0.106 0.000 1.009 222 I CA -0.400 60.994 61.300 0.157 0.000 1.111 222 I CB 1.875 39.922 38.000 0.077 0.000 1.262 222 I HN 0.728 nan 8.210 nan 0.000 0.443 223 G N 4.692 113.559 108.800 0.112 0.000 2.356 223 G HA2 0.376 4.336 3.960 -0.001 0.000 0.300 223 G HA3 0.376 4.336 3.960 -0.001 0.000 0.300 223 G C -0.023 174.909 174.900 0.054 0.000 1.107 223 G CA -0.189 44.966 45.100 0.091 0.000 0.960 223 G HN 0.813 nan 8.290 nan 0.000 0.418 224 C N 2.847 122.171 119.300 0.040 0.000 2.778 224 C HA 0.195 4.655 4.460 -0.001 0.000 0.252 224 C C 0.831 175.831 174.990 0.018 0.000 1.693 224 C CA -1.086 57.942 59.018 0.016 0.000 1.724 224 C CB -0.462 27.286 27.740 0.014 0.000 3.153 224 C HN 0.802 nan 8.230 nan 0.000 0.493 225 D N 0.548 120.969 120.400 0.036 0.000 2.352 225 D HA 0.352 4.992 4.640 -0.001 0.000 0.236 225 D C 1.070 177.395 176.300 0.041 0.000 1.148 225 D CA 0.711 54.740 54.000 0.048 0.000 0.844 225 D CB -0.136 40.717 40.800 0.089 0.000 0.933 225 D HN 0.599 nan 8.370 nan 0.000 0.507 226 G N -0.448 108.354 108.800 0.004 0.000 2.757 226 G HA2 -0.099 3.861 3.960 -0.001 0.000 0.638 226 G HA3 -0.099 3.861 3.960 -0.001 0.000 0.638 226 G C 0.937 175.796 174.900 -0.069 0.000 1.344 226 G CA -0.180 44.905 45.100 -0.024 0.000 0.855 226 G HN 0.432 nan 8.290 nan 0.000 0.537 227 G N -1.401 107.308 108.800 -0.153 0.000 2.507 227 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.221 227 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.221 227 G C 1.082 175.753 174.900 -0.381 0.000 1.119 227 G CA 1.834 46.757 45.100 -0.295 0.000 0.751 227 G HN 0.912 nan 8.290 nan 0.000 0.574 228 H N -0.218 118.876 119.070 0.040 0.000 2.505 228 H HA 0.297 4.853 4.556 -0.001 0.000 0.289 228 H C 1.108 176.476 175.328 0.067 0.000 1.052 228 H CA -0.171 55.908 56.048 0.052 0.000 1.156 228 H CB -0.138 29.660 29.762 0.060 0.000 1.507 228 H HN 0.220 nan 8.280 nan 0.000 0.548 229 S N 0.829 116.599 115.700 0.116 0.000 4.039 229 S HA -0.229 4.240 4.470 -0.001 0.000 0.484 229 S C 1.171 175.872 174.600 0.168 0.000 1.094 229 S CA 0.297 58.570 58.200 0.122 0.000 0.867 229 S CB -0.034 63.200 63.200 0.055 0.000 0.695 229 S HN 0.718 nan 8.310 nan 0.000 0.468 230 W N 5.675 126.984 121.300 0.015 0.000 2.453 230 W HA 0.010 4.670 4.660 -0.001 0.000 0.289 230 W C 1.559 178.062 176.519 -0.027 0.000 1.215 230 W CA 0.949 58.293 57.345 -0.001 0.000 1.297 230 W CB -0.285 29.172 29.460 -0.006 0.000 1.113 230 W HN 0.569 nan 8.180 nan 0.000 0.551 231 V N 2.101 122.180 119.914 0.274 0.000 2.358 231 V HA -0.301 3.818 4.120 -0.001 0.000 0.246 231 V C 2.612 178.584 176.094 -0.202 0.000 1.047 231 V CA 2.364 64.689 62.300 0.040 0.000 1.035 231 V CB -1.086 30.838 31.823 0.168 0.000 0.658 231 V HN 0.307 nan 8.190 nan 0.000 0.452 232 R N 0.285 120.717 120.500 -0.114 0.000 2.092 232 R HA -0.118 4.222 4.340 -0.001 0.000 0.231 232 R C 2.445 178.612 176.300 -0.221 0.000 1.119 232 R CA 1.385 57.401 56.100 -0.140 0.000 0.970 232 R CB -0.213 30.096 30.300 0.014 0.000 0.864 232 R HN 0.398 nan 8.270 nan 0.000 0.440 233 R N -0.207 120.166 120.500 -0.210 0.000 2.081 233 R HA -0.050 4.289 4.340 -0.001 0.000 0.235 233 R C 2.180 178.260 176.300 -0.367 0.000 1.131 233 R CA 2.126 58.089 56.100 -0.228 0.000 0.960 233 R CB -0.291 29.901 30.300 -0.180 0.000 0.856 233 R HN 0.291 nan 8.270 nan 0.000 0.436 234 T N 1.405 115.600 114.554 -0.599 0.000 2.833 234 T HA -0.058 4.291 4.350 -0.001 0.000 0.269 234 T C 1.753 176.169 174.700 -0.473 0.000 1.054 234 T CA 0.836 62.544 62.100 -0.653 0.000 1.135 234 T CB -0.026 68.181 68.868 -1.102 0.000 0.869 234 T HN 0.151 nan 8.240 nan 0.000 0.466 235 L N 0.371 121.279 121.223 -0.525 0.000 2.395 235 L HA 0.152 4.492 4.340 -0.001 0.000 0.218 235 L C 1.978 178.525 176.870 -0.539 0.000 1.130 235 L CA 0.647 55.094 54.840 -0.654 0.000 0.826 235 L CB -0.650 40.724 42.059 -1.141 0.000 0.941 235 L HN 0.540 nan 8.230 nan 0.000 0.451 236 G N -0.238 108.361 108.800 -0.335 0.000 2.147 236 G HA2 -0.281 3.679 3.960 -0.001 0.000 0.244 236 G HA3 -0.281 3.679 3.960 -0.001 0.000 0.244 236 G C -0.057 174.901 174.900 0.096 0.000 1.005 236 G CA -0.429 44.605 45.100 -0.112 0.000 0.713 236 G HN 0.106 nan 8.290 nan 0.000 0.515 237 F N 1.793 121.726 119.950 -0.029 0.000 2.413 237 F HA 0.389 4.915 4.527 -0.001 0.000 0.359 237 F C 1.044 176.853 175.800 0.015 0.000 1.122 237 F CA -1.530 56.472 58.000 0.003 0.000 1.160 237 F CB 0.490 39.504 39.000 0.023 0.000 1.146 237 F HN 0.177 nan 8.300 nan 0.000 0.514 238 E N 2.942 123.256 120.200 0.190 0.000 2.376 238 E HA 0.056 4.405 4.350 -0.001 0.000 0.266 238 E C -0.019 176.655 176.600 0.123 0.000 1.009 238 E CA -0.278 56.194 56.400 0.120 0.000 0.902 238 E CB 0.647 30.397 29.700 0.083 0.000 0.972 238 E HN 0.282 nan 8.360 nan 0.000 0.439 239 M N 4.537 124.202 119.600 0.109 0.000 2.557 239 M HA 0.169 4.649 4.480 -0.001 0.000 0.328 239 M C -0.771 175.587 176.300 0.097 0.000 1.423 239 M CA -0.538 54.827 55.300 0.109 0.000 1.418 239 M CB -0.382 32.275 32.600 0.095 0.000 1.381 239 M HN 0.328 nan 8.290 nan 0.000 0.467 240 I N 2.545 123.176 120.570 0.103 0.000 2.416 240 I HA 0.654 4.824 4.170 -0.001 0.000 0.288 240 I C 0.917 177.089 176.117 0.091 0.000 1.051 240 I CA 0.032 61.384 61.300 0.086 0.000 1.375 240 I CB 0.023 38.071 38.000 0.080 0.000 1.407 240 I HN 0.727 nan 8.210 nan 0.000 0.516 241 G N 6.591 115.440 108.800 0.082 0.000 2.356 241 G HA2 0.195 4.155 3.960 -0.001 0.000 0.288 241 G HA3 0.195 4.155 3.960 -0.001 0.000 0.288 241 G C -1.565 173.387 174.900 0.086 0.000 1.302 241 G CA -0.787 44.370 45.100 0.095 0.000 0.887 241 G HN 0.508 nan 8.290 nan 0.000 0.521 242 E N -0.422 119.839 120.200 0.102 0.000 2.288 242 E HA 0.491 4.841 4.350 -0.001 0.000 0.268 242 E C -0.894 175.745 176.600 0.064 0.000 0.885 242 E CA -0.803 55.643 56.400 0.076 0.000 0.767 242 E CB 2.799 32.547 29.700 0.080 0.000 1.220 242 E HN 0.522 nan 8.360 nan 0.000 0.427 243 Q N 2.378 122.195 119.800 0.028 0.000 2.347 243 Q HA 0.210 4.550 4.340 -0.001 0.000 0.262 243 Q C -0.263 175.724 176.000 -0.022 0.000 0.980 243 Q CA -0.424 55.383 55.803 0.008 0.000 0.867 243 Q CB 1.069 29.778 28.738 -0.048 0.000 1.242 243 Q HN 0.724 nan 8.270 nan 0.000 0.453 244 T N 0.545 115.117 114.554 0.030 0.000 2.689 244 T HA 0.106 4.456 4.350 -0.001 0.000 0.308 244 T C 0.415 175.111 174.700 -0.007 0.000 1.021 244 T CA -0.156 61.944 62.100 0.000 0.000 0.973 244 T CB 0.465 69.362 68.868 0.049 0.000 1.113 244 T HN 0.541 nan 8.240 nan 0.000 0.522 245 D N -1.224 119.122 120.400 -0.090 0.000 2.350 245 D HA 0.144 4.784 4.640 -0.001 0.000 0.213 245 D C -0.324 176.031 176.300 0.091 0.000 1.031 245 D CA 0.163 54.154 54.000 -0.014 0.000 0.861 245 D CB -0.283 40.454 40.800 -0.104 0.000 0.926 245 D HN 0.486 nan 8.370 nan 0.000 0.520 246 Y N 0.877 121.293 120.300 0.192 0.000 2.544 246 Y HA 0.184 4.733 4.550 -0.001 0.000 0.330 246 Y C 0.615 176.667 175.900 0.254 0.000 1.136 246 Y CA -0.504 57.717 58.100 0.201 0.000 1.417 246 Y CB 0.060 38.677 38.460 0.261 0.000 1.229 246 Y HN -0.124 nan 8.280 nan 0.000 0.532 247 I N 3.416 124.166 120.570 0.299 0.000 2.545 247 I HA 0.596 4.766 4.170 -0.001 0.000 0.292 247 I C -1.842 174.287 176.117 0.021 0.000 1.040 247 I CA -0.737 60.624 61.300 0.102 0.000 1.068 247 I CB 1.046 39.013 38.000 -0.056 0.000 1.251 247 I HN 0.445 nan 8.210 nan 0.000 0.424 248 W N 4.603 125.632 121.300 -0.451 0.000 2.799 248 W HA 0.835 5.495 4.660 -0.001 0.000 0.349 248 W C 0.135 176.354 176.519 -0.501 0.000 1.100 248 W CA -0.724 56.334 57.345 -0.478 0.000 1.174 248 W CB 2.015 31.127 29.460 -0.579 0.000 1.427 248 W HN 0.702 nan 8.180 nan 0.000 0.547 249 G N 0.172 108.977 108.800 0.009 0.000 2.498 249 G HA2 0.714 4.674 3.960 -0.001 0.000 0.312 249 G HA3 0.714 4.674 3.960 -0.001 0.000 0.312 249 G C -2.020 172.945 174.900 0.108 0.000 1.230 249 G CA -0.820 44.296 45.100 0.026 0.000 0.968 249 G HN 0.282 nan 8.290 nan 0.000 0.481 250 V N 0.729 120.658 119.914 0.025 0.000 2.656 250 V HA 0.576 4.696 4.120 -0.001 0.000 0.307 250 V C -0.472 175.609 176.094 -0.021 0.000 1.051 250 V CA -0.601 61.671 62.300 -0.046 0.000 0.893 250 V CB 1.651 33.391 31.823 -0.139 0.000 0.999 250 V HN 0.607 nan 8.190 nan 0.000 0.426 251 L N 3.382 124.664 121.223 0.098 0.000 2.376 251 L HA 0.603 4.942 4.340 -0.001 0.000 0.275 251 L C -1.270 175.753 176.870 0.255 0.000 0.987 251 L CA -0.548 54.402 54.840 0.183 0.000 0.828 251 L CB 2.236 44.458 42.059 0.272 0.000 1.249 251 L HN 0.516 nan 8.230 nan 0.000 0.409 252 D N 3.473 124.000 120.400 0.213 0.000 2.443 252 D HA 0.662 5.301 4.640 -0.001 0.000 0.221 252 D C -0.408 176.008 176.300 0.194 0.000 1.097 252 D CA 0.214 54.350 54.000 0.227 0.000 0.865 252 D CB 1.840 42.785 40.800 0.241 0.000 1.034 252 D HN 0.598 nan 8.370 nan 0.000 0.511 253 A N 1.520 124.499 122.820 0.265 0.000 2.566 253 A HA 0.609 4.929 4.320 -0.001 0.000 0.292 253 A C -0.973 176.740 177.584 0.215 0.000 1.112 253 A CA -0.704 51.460 52.037 0.212 0.000 0.707 253 A CB 1.400 20.528 19.000 0.213 0.000 1.302 253 A HN 0.202 nan 8.150 nan 0.000 0.409 254 V N 3.522 123.510 119.914 0.123 0.000 2.339 254 V HA 0.318 4.438 4.120 -0.001 0.000 0.261 254 V C -1.946 174.180 176.094 0.054 0.000 1.058 254 V CA -1.052 61.306 62.300 0.098 0.000 0.897 254 V CB 0.448 32.304 31.823 0.056 0.000 1.052 254 V HN 0.757 nan 8.190 nan 0.000 0.480 255 P HA 0.342 nan 4.420 nan 0.000 0.274 255 P C -0.691 176.559 177.300 -0.083 0.000 1.237 255 P CA -0.464 62.620 63.100 -0.026 0.000 0.793 255 P CB 1.522 33.368 31.700 0.244 0.000 0.977 256 A N 0.750 123.440 122.820 -0.217 0.000 2.763 256 A HA 0.538 4.857 4.320 -0.001 0.000 0.325 256 A C -0.194 177.287 177.584 -0.173 0.000 1.209 256 A CA -0.403 51.543 52.037 -0.151 0.000 0.764 256 A CB 0.089 19.000 19.000 -0.149 0.000 1.120 256 A HN 0.487 nan 8.150 nan 0.000 0.463 257 S N 0.972 116.624 115.700 -0.081 0.000 2.595 257 S HA 0.521 4.991 4.470 -0.001 0.000 0.281 257 S C 0.332 174.948 174.600 0.026 0.000 1.117 257 S CA -0.263 57.904 58.200 -0.055 0.000 0.873 257 S CB 1.061 64.216 63.200 -0.075 0.000 1.108 257 S HN 0.768 nan 8.310 nan 0.000 0.477 258 N N 1.935 120.679 118.700 0.074 0.000 2.236 258 N HA 0.081 4.820 4.740 -0.001 0.000 0.196 258 N C -0.160 175.423 175.510 0.121 0.000 1.114 258 N CA -0.286 52.834 53.050 0.116 0.000 0.859 258 N CB -0.407 38.169 38.487 0.148 0.000 0.982 258 N HN 0.442 nan 8.380 nan 0.000 0.493 259 F N 2.974 122.860 119.950 -0.107 0.000 2.590 259 F HA 0.181 4.707 4.527 -0.001 0.000 0.389 259 F C -1.258 174.422 175.800 -0.201 0.000 1.049 259 F CA -1.848 55.947 58.000 -0.343 0.000 1.199 259 F CB 0.795 39.630 39.000 -0.276 0.000 1.058 259 F HN -0.062 nan 8.300 nan 0.000 0.556 260 P HA -0.162 nan 4.420 nan 0.000 0.216 260 P C 0.135 177.294 177.300 -0.235 0.000 1.150 260 P CA 1.503 64.396 63.100 -0.345 0.000 0.837 260 P CB 0.207 31.719 31.700 -0.313 0.000 0.786 261 D N -1.201 118.962 120.400 -0.396 0.000 2.738 261 D HA 0.118 4.757 4.640 -0.001 0.000 0.246 261 D C 1.206 177.689 176.300 0.306 0.000 1.270 261 D CA -0.267 53.745 54.000 0.019 0.000 0.833 261 D CB -0.004 40.868 40.800 0.120 0.000 1.040 261 D HN 0.048 nan 8.370 nan 0.000 0.487 262 I N 0.728 121.508 120.570 0.351 0.000 2.454 262 I HA -0.188 3.982 4.170 -0.001 0.000 0.254 262 I C 1.722 177.987 176.117 0.246 0.000 1.156 262 I CA 1.272 62.813 61.300 0.403 0.000 1.433 262 I CB 0.229 38.429 38.000 0.334 0.000 1.082 262 I HN -0.161 nan 8.210 nan 0.000 0.432 263 R N -0.390 120.213 120.500 0.173 0.000 2.427 263 R HA 0.317 4.656 4.340 -0.001 0.000 0.262 263 R C 0.455 176.823 176.300 0.113 0.000 0.943 263 R CA 0.060 56.233 56.100 0.122 0.000 1.081 263 R CB -0.143 30.215 30.300 0.097 0.000 1.166 263 R HN 0.249 nan 8.270 nan 0.000 0.534 264 S N 0.299 116.084 115.700 0.142 0.000 2.621 264 S HA 0.418 4.888 4.470 -0.001 0.000 0.302 264 S C -0.158 174.533 174.600 0.153 0.000 1.093 264 S CA -0.719 57.562 58.200 0.135 0.000 1.017 264 S CB 1.854 65.141 63.200 0.145 0.000 1.077 264 S HN 0.235 nan 8.310 nan 0.000 0.517 265 R N 1.513 122.095 120.500 0.136 0.000 2.543 265 R HA 0.469 4.809 4.340 -0.001 0.000 0.277 265 R C -1.206 175.220 176.300 0.209 0.000 1.074 265 R CA 0.007 56.206 56.100 0.165 0.000 1.076 265 R CB -0.247 30.148 30.300 0.157 0.000 0.993 265 R HN 0.711 nan 8.270 nan 0.000 0.459 266 C N 2.521 121.982 119.300 0.268 0.000 2.994 266 C HA 0.749 5.209 4.460 -0.001 0.000 0.305 266 C C -0.701 174.541 174.990 0.420 0.000 1.251 266 C CA -0.917 58.298 59.018 0.328 0.000 1.478 266 C CB 1.729 29.665 27.740 0.327 0.000 1.922 266 C HN 0.900 nan 8.230 nan 0.000 0.472 267 A N 1.937 125.039 122.820 0.470 0.000 2.330 267 A HA 0.894 5.213 4.320 -0.001 0.000 0.313 267 A C -1.009 176.791 177.584 0.359 0.000 1.124 267 A CA -0.293 52.065 52.037 0.535 0.000 0.774 267 A CB 0.354 19.752 19.000 0.663 0.000 1.198 267 A HN 0.806 nan 8.150 nan 0.000 0.465 268 I N 2.561 123.239 120.570 0.180 0.000 2.411 268 I HA 0.265 4.435 4.170 -0.001 0.000 0.284 268 I C -0.905 175.161 176.117 -0.085 0.000 1.012 268 I CA -0.411 60.932 61.300 0.072 0.000 1.119 268 I CB 1.621 39.524 38.000 -0.161 0.000 1.261 268 I HN 0.706 nan 8.210 nan 0.000 0.448 269 H N 3.793 122.875 119.070 0.019 0.000 2.597 269 H HA 0.331 4.887 4.556 -0.001 0.000 0.303 269 H C 0.220 175.538 175.328 -0.015 0.000 1.057 269 H CA -0.139 55.870 56.048 -0.064 0.000 1.261 269 H CB 1.245 30.926 29.762 -0.135 0.000 1.397 269 H HN 0.603 nan 8.280 nan 0.000 0.461 270 S N 2.326 118.048 115.700 0.036 0.000 2.632 270 S HA 0.452 4.922 4.470 -0.001 0.000 0.271 270 S C 1.564 176.193 174.600 0.048 0.000 1.260 270 S CA -0.324 57.902 58.200 0.042 0.000 1.010 270 S CB 1.645 64.833 63.200 -0.021 0.000 0.965 270 S HN 0.704 nan 8.310 nan 0.000 0.534 271 A N 1.555 124.412 122.820 0.060 0.000 1.873 271 A HA -0.079 4.241 4.320 -0.001 0.000 0.218 271 A C 1.726 179.321 177.584 0.017 0.000 1.193 271 A CA 1.702 53.765 52.037 0.043 0.000 0.629 271 A CB -0.581 18.452 19.000 0.055 0.000 0.826 271 A HN 0.940 nan 8.150 nan 0.000 0.447 272 E N -1.838 118.364 120.200 0.003 0.000 2.702 272 E HA 0.148 4.498 4.350 -0.001 0.000 0.225 272 E C 0.709 177.283 176.600 -0.042 0.000 0.942 272 E CA 0.518 56.910 56.400 -0.015 0.000 1.210 272 E CB 0.116 29.809 29.700 -0.012 0.000 1.143 272 E HN 0.418 nan 8.360 nan 0.000 0.544 273 S N 0.622 116.286 115.700 -0.060 0.000 2.540 273 S HA 0.439 4.909 4.470 -0.001 0.000 0.218 273 S C 0.873 175.375 174.600 -0.163 0.000 0.977 273 S CA 0.351 58.490 58.200 -0.103 0.000 0.918 273 S CB 1.006 64.147 63.200 -0.099 0.000 0.806 273 S HN 0.550 nan 8.310 nan 0.000 0.496 274 G N 0.959 109.659 108.800 -0.167 0.000 2.462 274 G HA2 0.000 3.960 3.960 -0.001 0.000 0.685 274 G HA3 0.000 3.960 3.960 -0.001 0.000 0.685 274 G C -0.744 173.967 174.900 -0.315 0.000 1.295 274 G CA -0.844 44.091 45.100 -0.275 0.000 0.941 274 G HN 0.204 nan 8.290 nan 0.000 0.554 275 S N -0.992 114.427 115.700 -0.469 0.000 2.638 275 S HA 0.844 5.313 4.470 -0.001 0.000 0.298 275 S C 0.106 174.469 174.600 -0.395 0.000 1.111 275 S CA -0.473 57.496 58.200 -0.384 0.000 1.027 275 S CB 1.455 64.513 63.200 -0.237 0.000 1.064 275 S HN 0.650 nan 8.310 nan 0.000 0.525 276 I N 1.706 122.176 120.570 -0.167 0.000 2.689 276 I HA 0.468 4.638 4.170 -0.001 0.000 0.299 276 I C -0.804 175.446 176.117 0.221 0.000 1.059 276 I CA -0.484 60.782 61.300 -0.058 0.000 1.055 276 I CB 1.944 39.725 38.000 -0.366 0.000 1.243 276 I HN 0.431 nan 8.210 nan 0.000 0.425 277 M N 6.774 126.556 119.600 0.305 0.000 2.190 277 M HA 0.555 5.034 4.480 -0.001 0.000 0.312 277 M C -1.615 174.850 176.300 0.275 0.000 0.990 277 M CA -0.515 54.961 55.300 0.294 0.000 0.927 277 M CB 1.447 34.071 32.600 0.040 0.000 1.571 277 M HN 0.389 nan 8.290 nan 0.000 0.427 278 I N 5.807 126.500 120.570 0.205 0.000 2.331 278 I HA 0.347 4.516 4.170 -0.001 0.000 0.292 278 I C -0.577 175.589 176.117 0.083 0.000 0.998 278 I CA -0.692 60.637 61.300 0.048 0.000 1.267 278 I CB 1.319 39.361 38.000 0.070 0.000 1.386 278 I HN 0.565 nan 8.210 nan 0.000 0.476 279 I N 8.695 129.272 120.570 0.011 0.000 2.464 279 I HA 0.281 4.451 4.170 -0.001 0.000 0.277 279 I C -2.303 173.815 176.117 0.001 0.000 1.040 279 I CA -2.473 58.877 61.300 0.084 0.000 1.153 279 I CB 1.289 39.411 38.000 0.203 0.000 1.274 279 I HN 0.218 nan 8.210 nan 0.000 0.469 280 P HA 0.285 nan 4.420 nan 0.000 0.276 280 P C -0.205 177.125 177.300 0.050 0.000 1.243 280 P CA -0.308 62.805 63.100 0.021 0.000 0.768 280 P CB 1.557 33.290 31.700 0.055 0.000 0.856 281 R N 1.644 122.174 120.500 0.050 0.000 3.055 281 R HA 0.304 4.643 4.340 -0.001 0.000 0.231 281 R C 0.842 177.186 176.300 0.073 0.000 1.443 281 R CA -0.751 55.390 56.100 0.068 0.000 1.063 281 R CB 0.695 31.040 30.300 0.075 0.000 1.514 281 R HN 0.552 nan 8.270 nan 0.000 0.510 282 E N 0.683 120.930 120.200 0.079 0.000 2.391 282 E HA -0.053 4.297 4.350 -0.001 0.000 0.255 282 E C -0.556 176.092 176.600 0.080 0.000 1.187 282 E CA -0.143 56.303 56.400 0.076 0.000 0.941 282 E CB 0.088 29.833 29.700 0.076 0.000 1.010 282 E HN 0.559 nan 8.360 nan 0.000 0.458 283 N N 2.166 120.909 118.700 0.072 0.000 2.698 283 N HA -0.261 4.478 4.740 -0.001 0.000 0.258 283 N C -0.579 174.973 175.510 0.070 0.000 0.978 283 N CA 0.548 53.640 53.050 0.070 0.000 0.777 283 N CB -0.817 37.717 38.487 0.078 0.000 0.907 283 N HN 0.574 nan 8.380 nan 0.000 0.543 284 N N -2.440 116.301 118.700 0.069 0.000 2.955 284 N HA -0.197 4.543 4.740 -0.001 0.000 0.230 284 N C -0.050 175.512 175.510 0.086 0.000 0.891 284 N CA 1.209 54.302 53.050 0.071 0.000 1.002 284 N CB -0.806 37.718 38.487 0.061 0.000 1.063 284 N HN 0.432 nan 8.380 nan 0.000 0.601 285 L N 1.115 122.392 121.223 0.090 0.000 2.453 285 L HA 0.409 4.749 4.340 -0.001 0.000 0.261 285 L C 0.634 177.558 176.870 0.090 0.000 1.179 285 L CA -0.135 54.768 54.840 0.105 0.000 0.813 285 L CB 0.957 43.078 42.059 0.104 0.000 1.110 285 L HN -0.180 nan 8.230 nan 0.000 0.466 286 V N 1.963 121.936 119.914 0.099 0.000 2.686 286 V HA 0.402 4.522 4.120 -0.001 0.000 0.306 286 V C -0.372 175.645 176.094 -0.128 0.000 1.065 286 V CA -0.749 61.518 62.300 -0.055 0.000 0.894 286 V CB 1.934 33.681 31.823 -0.126 0.000 1.004 286 V HN 0.705 nan 8.190 nan 0.000 0.424 287 R N 3.489 123.866 120.500 -0.205 0.000 2.312 287 R HA 0.619 4.959 4.340 -0.001 0.000 0.311 287 R C -1.789 174.311 176.300 -0.334 0.000 1.004 287 R CA -0.307 55.724 56.100 -0.116 0.000 0.902 287 R CB 0.787 31.076 30.300 -0.018 0.000 1.073 287 R HN 0.527 nan 8.270 nan 0.000 0.457 288 F N 4.607 124.604 119.950 0.077 0.000 2.427 288 F HA 0.328 4.854 4.527 -0.001 0.000 0.348 288 F C -0.867 174.948 175.800 0.024 0.000 1.125 288 F CA -0.682 57.375 58.000 0.095 0.000 0.989 288 F CB 1.197 40.257 39.000 0.100 0.000 1.165 288 F HN 0.439 nan 8.300 nan 0.000 0.442 289 Y N 2.941 123.403 120.300 0.271 0.000 2.425 289 Y HA 0.503 5.053 4.550 -0.000 0.000 0.347 289 Y C -0.156 175.970 175.900 0.376 0.000 0.976 289 Y CA -0.817 57.482 58.100 0.331 0.000 1.190 289 Y CB 0.963 39.556 38.460 0.222 0.000 1.136 289 Y HN 0.209 nan 8.280 nan 0.000 0.517 290 V N 4.393 124.519 119.914 0.353 0.000 2.384 290 V HA 0.228 4.348 4.120 -0.001 0.000 0.287 290 V C -0.122 175.802 176.094 -0.282 0.000 1.020 290 V CA -1.234 61.058 62.300 -0.012 0.000 0.850 290 V CB 1.439 33.213 31.823 -0.081 0.000 0.987 290 V HN 0.669 nan 8.190 nan 0.000 0.436 291 Q N 4.106 123.341 119.800 -0.941 0.000 2.311 291 Q HA 0.371 4.710 4.340 -0.001 0.000 0.272 291 Q C -0.957 174.672 176.000 -0.618 0.000 1.012 291 Q CA -0.076 54.921 55.803 -1.344 0.000 0.891 291 Q CB 0.701 28.420 28.738 -1.699 0.000 1.201 291 Q HN 0.656 nan 8.270 nan 0.000 0.391 292 L N 3.882 124.848 121.223 -0.428 0.000 2.360 292 L HA 0.370 4.710 4.340 -0.001 0.000 0.271 292 L C 0.302 177.040 176.870 -0.220 0.000 1.057 292 L CA -0.730 53.952 54.840 -0.263 0.000 0.803 292 L CB 1.182 43.148 42.059 -0.155 0.000 1.207 292 L HN 0.932 nan 8.230 nan 0.000 0.445 308 T N -0.928 113.815 114.554 0.316 0.000 2.748 308 T HA 0.289 4.638 4.350 -0.001 0.000 0.304 308 T C -2.126 172.478 174.700 -0.161 0.000 1.041 308 T CA -0.951 61.164 62.100 0.025 0.000 1.033 308 T CB 1.025 69.875 68.868 -0.031 0.000 0.995 308 T HN 0.261 nan 8.240 nan 0.000 0.536 309 P HA -0.076 nan 4.420 nan 0.000 0.215 309 P C 1.387 178.587 177.300 -0.167 0.000 1.157 309 P CA 1.156 63.977 63.100 -0.464 0.000 0.874 309 P CB -0.021 31.345 31.700 -0.558 0.000 0.790 310 E N -0.564 119.560 120.200 -0.127 0.000 2.097 310 E HA -0.148 4.202 4.350 -0.001 0.000 0.196 310 E C 2.040 178.605 176.600 -0.058 0.000 1.000 310 E CA 1.071 57.427 56.400 -0.072 0.000 0.804 310 E CB -1.440 28.222 29.700 -0.063 0.000 0.740 310 E HN 0.022 nan 8.360 nan 0.000 0.454 311 V N 0.154 120.032 119.914 -0.059 0.000 2.343 311 V HA -0.233 3.887 4.120 -0.001 0.000 0.247 311 V C 2.204 178.243 176.094 -0.091 0.000 1.051 311 V CA 1.484 63.725 62.300 -0.099 0.000 1.036 311 V CB -0.425 31.309 31.823 -0.149 0.000 0.654 311 V HN 0.150 nan 8.190 nan 0.000 0.451 312 V N -0.245 119.650 119.914 -0.031 0.000 2.427 312 V HA -0.232 3.888 4.120 -0.001 0.000 0.248 312 V C 2.141 178.226 176.094 -0.015 0.000 1.051 312 V CA 1.992 64.286 62.300 -0.011 0.000 1.048 312 V CB -0.502 31.370 31.823 0.081 0.000 0.666 312 V HN 0.449 nan 8.190 nan 0.000 0.456 313 I N 0.421 121.001 120.570 0.016 0.000 2.315 313 I HA -0.179 3.991 4.170 -0.001 0.000 0.248 313 I C 2.661 178.812 176.117 0.056 0.000 1.117 313 I CA 1.278 62.632 61.300 0.091 0.000 1.404 313 I CB -0.526 37.521 38.000 0.078 0.000 1.071 313 I HN 0.277 nan 8.210 nan 0.000 0.419 314 A N 0.817 123.632 122.820 -0.007 0.000 1.902 314 A HA -0.264 4.055 4.320 -0.001 0.000 0.217 314 A C 2.036 179.589 177.584 -0.052 0.000 1.181 314 A CA 2.348 54.368 52.037 -0.027 0.000 0.623 314 A CB -0.977 17.987 19.000 -0.059 0.000 0.818 314 A HN 0.452 nan 8.150 nan 0.000 0.443 315 N N -0.439 118.205 118.700 -0.094 0.000 2.188 315 N HA -0.009 4.731 4.740 -0.001 0.000 0.184 315 N C 1.817 177.235 175.510 -0.154 0.000 1.018 315 N CA 1.100 54.067 53.050 -0.138 0.000 0.858 315 N CB -0.203 38.176 38.487 -0.181 0.000 0.989 315 N HN 0.463 nan 8.380 nan 0.000 0.426 316 A N 0.838 123.563 122.820 -0.158 0.000 1.930 316 A HA -0.113 4.206 4.320 -0.001 0.000 0.217 316 A C 1.964 179.511 177.584 -0.061 0.000 1.175 316 A CA 1.203 53.079 52.037 -0.267 0.000 0.627 316 A CB -0.243 18.442 19.000 -0.525 0.000 0.815 316 A HN 0.184 nan 8.150 nan 0.000 0.443 317 K N -0.117 120.327 120.400 0.073 0.000 2.057 317 K HA -0.122 4.198 4.320 -0.001 0.000 0.207 317 K C 2.085 178.759 176.600 0.124 0.000 1.049 317 K CA 1.469 57.859 56.287 0.172 0.000 0.931 317 K CB -0.115 32.468 32.500 0.139 0.000 0.714 317 K HN 0.327 nan 8.250 nan 0.000 0.440 318 K N 0.685 121.098 120.400 0.021 0.000 2.026 318 K HA -0.098 4.222 4.320 -0.001 0.000 0.208 318 K C 2.100 178.703 176.600 0.006 0.000 1.048 318 K CA 1.251 57.533 56.287 -0.009 0.000 0.929 318 K CB -0.156 32.303 32.500 -0.070 0.000 0.713 318 K HN 0.156 nan 8.250 nan 0.000 0.439 319 I N -0.081 120.437 120.570 -0.087 0.000 2.394 319 I HA -0.222 3.947 4.170 -0.001 0.000 0.251 319 I C 1.774 177.814 176.117 -0.127 0.000 1.136 319 I CA 1.021 62.222 61.300 -0.165 0.000 1.425 319 I CB -0.149 37.641 38.000 -0.350 0.000 1.079 319 I HN -0.010 nan 8.210 nan 0.000 0.425 320 F N -0.208 119.712 119.950 -0.050 0.000 2.661 320 F HA -0.003 4.524 4.527 -0.001 0.000 0.298 320 F C 1.300 177.213 175.800 0.189 0.000 1.137 320 F CA 0.119 58.126 58.000 0.011 0.000 1.454 320 F CB -0.929 38.043 39.000 -0.047 0.000 1.103 320 F HN 0.020 nan 8.300 nan 0.000 0.577 321 H N 2.846 122.047 119.070 0.218 0.000 3.167 321 H HA -0.029 4.527 4.556 -0.001 0.000 0.306 321 H C -1.615 173.777 175.328 0.107 0.000 0.965 321 H CA -0.912 55.212 56.048 0.126 0.000 1.408 321 H CB 0.728 30.525 29.762 0.058 0.000 1.406 321 H HN -0.095 nan 8.280 nan 0.000 0.576 322 P HA 0.015 nan 4.420 nan 0.000 0.268 322 P C -0.727 176.369 177.300 -0.339 0.000 1.329 322 P CA -0.029 62.561 63.100 -0.850 0.000 0.899 322 P CB 0.135 31.256 31.700 -0.965 0.000 1.378 323 Y N 1.411 121.756 120.300 0.076 0.000 2.426 323 Y HA 0.175 4.725 4.550 -0.001 0.000 0.344 323 Y C 1.939 177.891 175.900 0.087 0.000 1.256 323 Y CA 0.180 58.360 58.100 0.133 0.000 1.451 323 Y CB -0.090 38.569 38.460 0.333 0.000 1.342 323 Y HN -0.134 nan 8.280 nan 0.000 0.600 324 T N -0.428 114.242 114.554 0.192 0.000 2.913 324 T HA 0.503 4.853 4.350 -0.001 0.000 0.287 324 T C -1.102 173.595 174.700 -0.005 0.000 1.008 324 T CA -0.545 61.605 62.100 0.084 0.000 1.067 324 T CB 0.808 69.698 68.868 0.037 0.000 0.996 324 T HN 0.463 nan 8.240 nan 0.000 0.513 325 F N 1.230 121.063 119.950 -0.194 0.000 2.787 325 F HA 0.460 4.987 4.527 -0.001 0.000 0.340 325 F C -1.652 174.029 175.800 -0.199 0.000 1.232 325 F CA -0.831 56.966 58.000 -0.337 0.000 1.051 325 F CB 1.336 40.071 39.000 -0.441 0.000 1.330 325 F HN 0.713 nan 8.300 nan 0.000 0.522 326 D N 4.124 124.016 120.400 -0.848 0.000 2.581 326 D HA 0.469 5.109 4.640 -0.001 0.000 0.232 326 D C -1.318 174.504 176.300 -0.796 0.000 1.143 326 D CA -0.439 53.164 54.000 -0.662 0.000 0.881 326 D CB 3.281 43.896 40.800 -0.307 0.000 1.500 326 D HN 0.210 nan 8.370 nan 0.000 0.458 327 V N 2.200 121.803 119.914 -0.518 0.000 2.350 327 V HA 0.093 4.213 4.120 -0.001 0.000 0.276 327 V C 1.164 177.148 176.094 -0.185 0.000 1.028 327 V CA -0.057 62.037 62.300 -0.343 0.000 0.860 327 V CB 1.463 33.152 31.823 -0.224 0.000 0.990 327 V HN 0.461 nan 8.190 nan 0.000 0.453 328 Q N 2.899 122.622 119.800 -0.129 0.000 2.212 328 Q HA 0.073 4.413 4.340 -0.001 0.000 0.199 328 Q C 0.691 176.670 176.000 -0.036 0.000 0.950 328 Q CA 0.706 56.465 55.803 -0.072 0.000 0.863 328 Q CB 0.558 29.269 28.738 -0.046 0.000 0.944 328 Q HN 0.802 nan 8.270 nan 0.000 0.465 329 Q N -0.005 119.784 119.800 -0.018 0.000 2.426 329 Q HA 0.394 4.734 4.340 -0.001 0.000 0.278 329 Q C -2.188 173.830 176.000 0.031 0.000 1.007 329 Q CA -0.613 55.197 55.803 0.011 0.000 0.850 329 Q CB 1.619 30.372 28.738 0.026 0.000 1.427 329 Q HN 0.111 nan 8.270 nan 0.000 0.391 330 L N 3.409 124.659 121.223 0.045 0.000 2.343 330 L HA 0.453 4.792 4.340 -0.001 0.000 0.278 330 L C -0.757 176.156 176.870 0.072 0.000 0.996 330 L CA 0.136 55.007 54.840 0.052 0.000 0.831 330 L CB 1.574 43.654 42.059 0.035 0.000 1.232 330 L HN 0.786 nan 8.230 nan 0.000 0.413 331 D N 3.296 123.723 120.400 0.046 0.000 2.355 331 D HA 0.117 4.757 4.640 -0.001 0.000 0.206 331 D C -0.775 175.485 176.300 -0.067 0.000 1.010 331 D CA 0.988 55.022 54.000 0.057 0.000 0.875 331 D CB 0.292 41.124 40.800 0.054 0.000 0.966 331 D HN 0.500 nan 8.370 nan 0.000 0.512 332 W N 0.118 121.078 121.300 -0.567 0.000 2.982 332 W HA 0.448 5.107 4.660 -0.001 0.000 0.344 332 W C -2.199 173.937 176.519 -0.638 0.000 1.215 332 W CA -1.392 55.322 57.345 -1.051 0.000 1.182 332 W CB 0.623 29.810 29.460 -0.456 0.000 1.437 332 W HN -0.238 nan 8.180 nan 0.000 0.570 333 F N 2.375 121.225 119.950 -1.833 0.000 2.708 333 F HA 0.752 5.279 4.527 -0.001 0.000 0.309 333 F C -1.209 173.830 175.800 -1.269 0.000 1.120 333 F CA 0.131 57.402 58.000 -1.215 0.000 0.978 333 F CB 1.043 39.723 39.000 -0.533 0.000 1.283 333 F HN 0.601 nan 8.300 nan 0.000 0.439 334 T N 1.141 114.744 114.554 -1.584 0.000 2.731 334 T HA 0.955 5.305 4.350 -0.001 0.000 0.300 334 T C -1.212 173.118 174.700 -0.618 0.000 1.283 334 T CA -0.533 60.857 62.100 -1.183 0.000 1.005 334 T CB 1.184 69.736 68.868 -0.527 0.000 1.420 334 T HN 1.731 nan 8.240 nan 0.000 0.503 335 A N 0.410 123.037 122.820 -0.322 0.000 2.539 335 A HA 0.955 5.275 4.320 -0.001 0.000 0.296 335 A C -1.631 175.957 177.584 0.006 0.000 1.073 335 A CA -1.073 50.873 52.037 -0.151 0.000 0.700 335 A CB 1.212 20.137 19.000 -0.125 0.000 1.296 335 A HN 1.563 nan 8.150 nan 0.000 0.405 336 Y N -1.114 119.181 120.300 -0.008 0.000 2.705 336 Y HA 0.763 5.312 4.550 -0.001 0.000 0.332 336 Y C -0.781 175.124 175.900 0.008 0.000 1.221 336 Y CA -1.174 56.934 58.100 0.012 0.000 1.059 336 Y CB 0.915 39.410 38.460 0.058 0.000 1.298 336 Y HN 0.656 nan 8.280 nan 0.000 0.459 337 H N 1.565 120.812 119.070 0.295 0.000 2.492 337 H HA 0.430 4.986 4.556 -0.001 0.000 0.345 337 H C -0.528 174.999 175.328 0.332 0.000 1.136 337 H CA -0.718 55.473 56.048 0.238 0.000 1.202 337 H CB 2.292 32.153 29.762 0.165 0.000 1.524 337 H HN 0.494 nan 8.280 nan 0.000 0.506 338 I N 2.438 123.274 120.570 0.442 0.000 2.517 338 I HA 0.205 4.375 4.170 -0.001 0.000 0.285 338 I C 1.077 177.324 176.117 0.217 0.000 1.106 338 I CA 0.577 62.059 61.300 0.303 0.000 1.402 338 I CB 0.272 38.466 38.000 0.324 0.000 1.399 338 I HN 0.674 nan 8.210 nan 0.000 0.535 339 G N 5.754 114.637 108.800 0.138 0.000 2.601 339 G HA2 0.605 4.565 3.960 -0.001 0.000 0.291 339 G HA3 0.605 4.565 3.960 -0.001 0.000 0.291 339 G C -1.716 173.236 174.900 0.087 0.000 1.456 339 G CA -0.492 44.668 45.100 0.101 0.000 0.804 339 G HN 0.408 nan 8.290 nan 0.000 0.499 340 Q N -0.357 119.506 119.800 0.105 0.000 2.331 340 Q HA 0.773 5.112 4.340 -0.001 0.000 0.272 340 Q C -0.444 175.638 176.000 0.137 0.000 1.062 340 Q CA -0.532 55.354 55.803 0.138 0.000 0.806 340 Q CB 3.038 31.880 28.738 0.173 0.000 1.312 340 Q HN 0.545 nan 8.270 nan 0.000 0.431 341 R N 0.476 121.063 120.500 0.145 0.000 2.668 341 R HA 0.848 5.188 4.340 -0.001 0.000 0.272 341 R C -1.479 174.927 176.300 0.176 0.000 1.019 341 R CA -0.781 55.401 56.100 0.136 0.000 0.894 341 R CB 2.144 32.507 30.300 0.105 0.000 1.228 341 R HN 0.460 nan 8.270 nan 0.000 0.460 342 V N -1.113 118.908 119.914 0.179 0.000 3.048 342 V HA 0.561 4.681 4.120 -0.001 0.000 0.303 342 V C -0.086 176.151 176.094 0.238 0.000 1.214 342 V CA -1.145 61.299 62.300 0.239 0.000 0.984 342 V CB 1.750 33.711 31.823 0.230 0.000 1.054 342 V HN 0.940 nan 8.190 nan 0.000 0.430 343 T N -1.498 113.248 114.554 0.320 0.000 2.927 343 T HA 0.521 4.870 4.350 -0.001 0.000 0.281 343 T C 0.436 175.296 174.700 0.267 0.000 0.998 343 T CA -0.476 61.782 62.100 0.265 0.000 1.019 343 T CB 2.221 71.252 68.868 0.272 0.000 1.061 343 T HN 0.725 nan 8.240 nan 0.000 0.518 344 E N 0.374 120.581 120.200 0.012 0.000 2.250 344 E HA 0.116 4.466 4.350 -0.001 0.000 0.192 344 E C 0.097 176.386 176.600 -0.518 0.000 0.986 344 E CA 0.653 56.883 56.400 -0.283 0.000 0.849 344 E CB 0.296 29.870 29.700 -0.210 0.000 0.797 344 E HN 0.540 nan 8.360 nan 0.000 0.482 345 K N -0.264 119.902 120.400 -0.391 0.000 2.259 345 K HA 0.286 4.605 4.320 -0.001 0.000 0.252 345 K C -0.325 176.275 176.600 -0.001 0.000 0.936 345 K CA -0.418 55.587 56.287 -0.469 0.000 0.810 345 K CB 1.316 33.184 32.500 -1.052 0.000 1.143 345 K HN -0.181 nan 8.250 nan 0.000 0.427 346 F N -0.282 119.591 119.950 -0.130 0.000 2.706 346 F HA 0.268 4.795 4.527 -0.000 0.000 0.308 346 F C 0.445 176.478 175.800 0.387 0.000 1.095 346 F CA -0.282 57.831 58.000 0.188 0.000 1.244 346 F CB 0.965 40.029 39.000 0.107 0.000 1.063 346 F HN 0.374 nan 8.300 nan 0.000 0.582 347 S N 0.279 116.225 115.700 0.410 0.000 2.536 347 S HA 0.577 5.047 4.470 -0.001 0.000 0.271 347 S C -1.365 173.386 174.600 0.252 0.000 1.134 347 S CA -0.606 57.761 58.200 0.279 0.000 0.897 347 S CB 1.686 65.044 63.200 0.264 0.000 1.094 347 S HN -0.050 nan 8.310 nan 0.000 0.473 348 K N 2.757 123.231 120.400 0.123 0.000 2.464 348 K HA 0.464 4.783 4.320 -0.001 0.000 0.252 348 K C -0.511 176.054 176.600 -0.059 0.000 1.000 348 K CA -0.124 56.222 56.287 0.098 0.000 0.951 348 K CB -0.083 32.429 32.500 0.021 0.000 1.183 348 K HN 0.651 nan 8.250 nan 0.000 0.445 349 D N 3.106 123.490 120.400 -0.026 0.000 3.079 349 D HA -0.194 4.445 4.640 -0.001 0.000 0.214 349 D C -0.651 175.615 176.300 -0.057 0.000 1.145 349 D CA 1.364 55.340 54.000 -0.040 0.000 0.958 349 D CB -0.695 40.074 40.800 -0.052 0.000 1.117 349 D HN 0.795 nan 8.370 nan 0.000 0.416 350 E N -1.837 118.289 120.200 -0.123 0.000 2.389 350 E HA -0.267 4.083 4.350 -0.001 0.000 0.243 350 E C 1.175 177.687 176.600 -0.147 0.000 1.154 350 E CA 0.979 57.302 56.400 -0.129 0.000 0.723 350 E CB -0.459 29.348 29.700 0.179 0.000 1.261 350 E HN 0.345 nan 8.360 nan 0.000 0.390 351 R N -1.472 118.800 120.500 -0.380 0.000 2.428 351 R HA 0.267 4.607 4.340 -0.001 0.000 0.193 351 R C -0.005 176.161 176.300 -0.222 0.000 0.852 351 R CA 0.701 56.686 56.100 -0.192 0.000 1.055 351 R CB 0.859 31.046 30.300 -0.187 0.000 1.343 351 R HN 0.028 nan 8.270 nan 0.000 0.655 352 V N 2.905 122.606 119.914 -0.355 0.000 2.378 352 V HA 0.423 4.542 4.120 -0.001 0.000 0.288 352 V C -0.695 175.205 176.094 -0.323 0.000 1.016 352 V CA -0.610 61.568 62.300 -0.203 0.000 0.840 352 V CB 1.171 32.933 31.823 -0.102 0.000 0.994 352 V HN -0.071 nan 8.190 nan 0.000 0.431 353 F N 4.830 124.856 119.950 0.127 0.000 2.497 353 F HA 0.763 5.290 4.527 -0.001 0.000 0.331 353 F C 0.326 176.196 175.800 0.118 0.000 1.060 353 F CA -0.968 57.128 58.000 0.159 0.000 0.989 353 F CB 1.560 40.588 39.000 0.047 0.000 1.245 353 F HN 0.403 nan 8.300 nan 0.000 0.486 354 I N 0.073 120.854 120.570 0.352 0.000 2.846 354 I HA 1.001 5.171 4.170 -0.001 0.000 0.307 354 I C -0.921 175.218 176.117 0.035 0.000 1.053 354 I CA -1.016 60.363 61.300 0.132 0.000 1.050 354 I CB 2.084 40.127 38.000 0.071 0.000 1.239 354 I HN 0.637 nan 8.210 nan 0.000 0.439 355 A N 2.549 125.337 122.820 -0.054 0.000 2.606 355 A HA 0.917 5.237 4.320 -0.001 0.000 0.293 355 A C -0.022 177.482 177.584 -0.134 0.000 1.082 355 A CA -0.091 51.916 52.037 -0.050 0.000 0.685 355 A CB 0.859 19.894 19.000 0.057 0.000 1.284 355 A HN 2.120 nan 8.150 nan 0.000 0.408 356 G N 0.829 109.542 108.800 -0.145 0.000 2.525 356 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.248 356 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.248 356 G C 0.303 174.905 174.900 -0.496 0.000 1.238 356 G CA 0.817 45.814 45.100 -0.171 0.000 0.926 356 G HN 0.893 nan 8.290 nan 0.000 0.574 357 D N 0.761 121.033 120.400 -0.215 0.000 2.263 357 D HA 0.137 4.777 4.640 -0.001 0.000 0.208 357 D C 2.682 178.852 176.300 -0.217 0.000 0.971 357 D CA 2.009 55.889 54.000 -0.199 0.000 0.867 357 D CB -0.625 40.107 40.800 -0.113 0.000 0.929 357 D HN 0.910 nan 8.370 nan 0.000 0.492 358 A N -0.241 122.465 122.820 -0.190 0.000 2.024 358 A HA -0.178 4.141 4.320 -0.001 0.000 0.220 358 A C 2.118 179.618 177.584 -0.140 0.000 1.164 358 A CA 1.321 53.285 52.037 -0.122 0.000 0.643 358 A CB -0.397 18.561 19.000 -0.071 0.000 0.806 358 A HN 0.427 nan 8.150 nan 0.000 0.451 359 C N -1.821 117.299 119.300 -0.300 0.000 3.065 359 C HA 0.412 4.872 4.460 -0.001 0.000 0.285 359 C C 0.225 175.245 174.990 0.050 0.000 1.257 359 C CA 0.117 59.017 59.018 -0.196 0.000 1.691 359 C CB -1.446 25.973 27.740 -0.535 0.000 2.089 359 C HN 0.819 nan 8.230 nan 0.000 0.630 360 H N -0.574 118.568 119.070 0.120 0.000 3.128 360 H HA 0.555 5.110 4.556 -0.001 0.000 0.336 360 H C -0.776 174.644 175.328 0.152 0.000 1.026 360 H CA -0.610 55.552 56.048 0.189 0.000 1.376 360 H CB -0.013 29.911 29.762 0.269 0.000 1.882 360 H HN 0.079 nan 8.280 nan 0.000 0.479 361 T N 0.711 115.401 114.554 0.227 0.000 2.893 361 T HA 0.777 5.127 4.350 -0.001 0.000 0.291 361 T C -0.761 173.976 174.700 0.062 0.000 1.028 361 T CA -0.719 61.378 62.100 -0.004 0.000 0.995 361 T CB 2.137 70.959 68.868 -0.077 0.000 1.051 361 T HN 1.088 nan 8.240 nan 0.000 0.470 362 H N -1.021 118.074 119.070 0.041 0.000 2.902 362 H HA 0.722 5.277 4.556 -0.001 0.000 0.297 362 H C -0.324 174.953 175.328 -0.085 0.000 1.406 362 H CA -0.767 55.279 56.048 -0.002 0.000 1.134 362 H CB 0.285 30.056 29.762 0.015 0.000 1.833 362 H HN 0.798 nan 8.280 nan 0.000 0.527 363 S N 0.208 115.921 115.700 0.021 0.000 2.600 363 S HA 0.250 4.719 4.470 -0.001 0.000 0.265 363 S C -1.824 172.686 174.600 -0.150 0.000 1.325 363 S CA -0.747 57.340 58.200 -0.188 0.000 1.002 363 S CB 0.727 63.774 63.200 -0.254 0.000 0.921 363 S HN 0.753 nan 8.310 nan 0.000 0.554 364 P HA 0.239 nan 4.420 nan 0.000 0.258 364 P C 0.419 177.426 177.300 -0.490 0.000 1.416 364 P CA -0.205 62.697 63.100 -0.329 0.000 0.927 364 P CB 0.140 31.645 31.700 -0.325 0.000 1.444 365 K N 0.593 120.691 120.400 -0.503 0.000 2.280 365 K HA 0.005 4.325 4.320 -0.001 0.000 0.202 365 K C 1.489 178.035 176.600 -0.090 0.000 1.047 365 K CA 1.041 57.001 56.287 -0.544 0.000 0.942 365 K CB -0.447 31.675 32.500 -0.629 0.000 0.739 365 K HN 0.170 nan 8.250 nan 0.000 0.457 366 A N 0.098 122.957 122.820 0.065 0.000 2.606 366 A HA 0.393 4.713 4.320 -0.001 0.000 0.290 366 A C 0.701 178.376 177.584 0.152 0.000 1.174 366 A CA 0.179 52.346 52.037 0.216 0.000 0.958 366 A CB 0.011 19.246 19.000 0.391 0.000 1.194 366 A HN 0.182 nan 8.150 nan 0.000 0.526 367 G N 0.469 109.309 108.800 0.066 0.000 2.293 367 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.271 367 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.271 367 G C 0.575 175.558 174.900 0.139 0.000 0.857 367 G CA 0.663 45.821 45.100 0.095 0.000 1.221 367 G HN 0.476 nan 8.290 nan 0.000 0.445 368 Q N -0.287 119.626 119.800 0.189 0.000 2.396 368 Q HA 0.090 4.430 4.340 -0.001 0.000 0.209 368 Q C 2.600 178.761 176.000 0.267 0.000 0.906 368 Q CA 0.897 56.807 55.803 0.179 0.000 0.927 368 Q CB 0.065 28.836 28.738 0.055 0.000 1.069 368 Q HN 0.586 nan 8.270 nan 0.000 0.523 369 G N 1.930 110.970 108.800 0.400 0.000 2.639 369 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.216 369 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.216 369 G C 1.455 176.498 174.900 0.238 0.000 1.267 369 G CA 1.224 46.538 45.100 0.356 0.000 0.801 369 G HN 0.375 nan 8.290 nan 0.000 0.592 370 M N 0.484 120.169 119.600 0.142 0.000 2.108 370 M HA -0.116 4.363 4.480 -0.001 0.000 0.261 370 M C 2.314 178.673 176.300 0.099 0.000 1.066 370 M CA 1.937 57.295 55.300 0.097 0.000 1.107 370 M CB -0.388 32.242 32.600 0.051 0.000 1.356 370 M HN 0.175 nan 8.290 nan 0.000 0.406 371 N N 0.127 118.884 118.700 0.095 0.000 2.018 371 N HA -0.155 4.585 4.740 -0.001 0.000 0.196 371 N C 1.656 177.216 175.510 0.084 0.000 1.043 371 N CA 2.411 55.497 53.050 0.060 0.000 0.856 371 N CB -0.836 37.680 38.487 0.049 0.000 1.042 371 N HN 0.471 nan 8.380 nan 0.000 0.423 372 T N 1.086 115.732 114.554 0.154 0.000 2.746 372 T HA -0.047 4.303 4.350 -0.001 0.000 0.267 372 T C 2.226 177.094 174.700 0.279 0.000 1.039 372 T CA 1.257 63.477 62.100 0.200 0.000 1.142 372 T CB -0.271 68.730 68.868 0.222 0.000 0.866 372 T HN 0.215 nan 8.240 nan 0.000 0.444 373 S N 1.637 117.530 115.700 0.323 0.000 2.359 373 S HA -0.052 4.418 4.470 -0.001 0.000 0.224 373 S C 2.127 176.831 174.600 0.174 0.000 1.035 373 S CA 1.236 59.593 58.200 0.260 0.000 1.018 373 S CB -0.401 62.912 63.200 0.187 0.000 0.876 373 S HN 0.437 nan 8.310 nan 0.000 0.448 374 M N 0.306 119.981 119.600 0.124 0.000 2.229 374 M HA 0.022 4.502 4.480 -0.001 0.000 0.264 374 M C 1.854 178.231 176.300 0.129 0.000 1.063 374 M CA 0.961 56.319 55.300 0.097 0.000 1.114 374 M CB -0.453 32.173 32.600 0.044 0.000 1.387 374 M HN 0.261 nan 8.290 nan 0.000 0.420 375 M N 0.133 119.799 119.600 0.110 0.000 2.296 375 M HA -0.126 4.354 4.480 -0.001 0.000 0.265 375 M C 1.230 177.669 176.300 0.232 0.000 1.064 375 M CA 1.329 56.708 55.300 0.131 0.000 1.109 375 M CB -1.214 31.392 32.600 0.010 0.000 1.396 375 M HN 0.163 nan 8.290 nan 0.000 0.430 376 D N 0.345 120.900 120.400 0.259 0.000 2.084 376 D HA -0.102 4.538 4.640 -0.001 0.000 0.194 376 D C 1.993 178.451 176.300 0.263 0.000 0.990 376 D CA 2.203 56.424 54.000 0.368 0.000 0.826 376 D CB -0.406 40.649 40.800 0.425 0.000 0.971 376 D HN 0.416 nan 8.370 nan 0.000 0.453 377 T N -2.055 112.589 114.554 0.150 0.000 3.085 377 T HA -0.117 4.233 4.350 -0.001 0.000 0.263 377 T C 1.949 176.699 174.700 0.084 0.000 1.127 377 T CA 0.255 62.368 62.100 0.021 0.000 1.103 377 T CB -0.502 68.369 68.868 0.004 0.000 0.921 377 T HN 0.101 nan 8.240 nan 0.000 0.510 378 Y N 2.515 122.849 120.300 0.057 0.000 2.242 378 Y HA -0.014 4.536 4.550 -0.001 0.000 0.291 378 Y C 2.441 178.445 175.900 0.173 0.000 1.137 378 Y CA 1.241 59.405 58.100 0.107 0.000 1.181 378 Y CB -0.337 38.191 38.460 0.113 0.000 0.989 378 Y HN 0.218 nan 8.280 nan 0.000 0.527 379 N N 0.342 119.176 118.700 0.223 0.000 2.109 379 N HA -0.160 4.579 4.740 -0.001 0.000 0.188 379 N C 1.962 177.326 175.510 -0.243 0.000 1.034 379 N CA 1.432 54.547 53.050 0.109 0.000 0.846 379 N CB -0.459 38.125 38.487 0.163 0.000 1.010 379 N HN 0.455 nan 8.380 nan 0.000 0.425 380 L N 1.496 122.535 121.223 -0.306 0.000 2.046 380 L HA 0.039 4.379 4.340 -0.001 0.000 0.208 380 L C 2.281 178.778 176.870 -0.622 0.000 1.077 380 L CA 2.145 56.566 54.840 -0.697 0.000 0.747 380 L CB -1.286 40.095 42.059 -1.129 0.000 0.896 380 L HN 0.231 nan 8.230 nan 0.000 0.432 381 G N 0.192 108.764 108.800 -0.379 0.000 2.529 381 G HA2 -0.352 3.608 3.960 -0.001 0.000 0.219 381 G HA3 -0.352 3.608 3.960 -0.001 0.000 0.219 381 G C 1.419 176.167 174.900 -0.253 0.000 1.177 381 G CA 1.157 46.103 45.100 -0.256 0.000 0.773 381 G HN 0.747 nan 8.290 nan 0.000 0.573 382 W N 1.280 122.423 121.300 -0.262 0.000 2.425 382 W HA 0.103 4.763 4.660 -0.001 0.000 0.277 382 W C 1.900 178.214 176.519 -0.342 0.000 1.231 382 W CA 0.988 58.191 57.345 -0.237 0.000 1.248 382 W CB -0.476 28.869 29.460 -0.193 0.000 1.117 382 W HN 0.227 nan 8.180 nan 0.000 0.568 383 K N 0.624 120.466 120.400 -0.931 0.000 2.031 383 K HA -0.153 4.167 4.320 -0.001 0.000 0.205 383 K C 2.182 178.423 176.600 -0.597 0.000 1.049 383 K CA 1.403 57.138 56.287 -0.921 0.000 0.939 383 K CB -0.626 31.237 32.500 -1.062 0.000 0.717 383 K HN -0.043 nan 8.250 nan 0.000 0.438 384 L N 1.107 121.951 121.223 -0.632 0.000 2.046 384 L HA -0.085 4.254 4.340 -0.001 0.000 0.208 384 L C 2.188 178.721 176.870 -0.562 0.000 1.077 384 L CA 1.946 56.425 54.840 -0.602 0.000 0.747 384 L CB -1.146 40.548 42.059 -0.608 0.000 0.896 384 L HN 0.281 nan 8.230 nan 0.000 0.432 385 G N -0.738 107.621 108.800 -0.735 0.000 2.446 385 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.217 385 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.217 385 G C 1.632 176.010 174.900 -0.869 0.000 1.168 385 G CA 1.118 45.455 45.100 -1.272 0.000 0.771 385 G HN 0.415 nan 8.290 nan 0.000 0.551 386 L N 0.086 120.985 121.223 -0.540 0.000 2.093 386 L HA -0.060 4.279 4.340 -0.001 0.000 0.208 386 L C 3.019 179.824 176.870 -0.107 0.000 1.085 386 L CA 0.344 55.103 54.840 -0.135 0.000 0.755 386 L CB -0.471 41.636 42.059 0.082 0.000 0.904 386 L HN 0.099 nan 8.230 nan 0.000 0.435 387 V N 0.305 120.110 119.914 -0.182 0.000 2.295 387 V HA -0.299 3.821 4.120 -0.001 0.000 0.246 387 V C 2.407 178.452 176.094 -0.082 0.000 1.049 387 V CA 1.704 63.931 62.300 -0.122 0.000 1.024 387 V CB -0.363 31.356 31.823 -0.174 0.000 0.648 387 V HN 0.349 nan 8.190 nan 0.000 0.447 388 L N 0.574 121.716 121.223 -0.135 0.000 2.131 388 L HA -0.141 4.199 4.340 -0.001 0.000 0.210 388 L C 2.350 179.220 176.870 -0.000 0.000 1.092 388 L CA 1.944 56.755 54.840 -0.049 0.000 0.759 388 L CB -0.818 41.201 42.059 -0.067 0.000 0.903 388 L HN 0.577 nan 8.230 nan 0.000 0.435 389 T N -3.726 110.828 114.554 0.002 0.000 3.144 389 T HA 0.265 4.614 4.350 -0.001 0.000 0.249 389 T C 1.324 176.058 174.700 0.056 0.000 1.089 389 T CA 0.290 62.427 62.100 0.061 0.000 0.989 389 T CB 0.354 69.300 68.868 0.132 0.000 0.992 389 T HN 0.435 nan 8.240 nan 0.000 0.540 390 G N 1.800 110.622 108.800 0.037 0.000 2.176 390 G HA2 -0.302 3.657 3.960 -0.001 0.000 0.252 390 G HA3 -0.302 3.657 3.960 -0.001 0.000 0.252 390 G C 0.766 175.700 174.900 0.057 0.000 1.024 390 G CA 0.338 45.464 45.100 0.042 0.000 0.755 390 G HN 0.562 nan 8.290 nan 0.000 0.507 391 R N -0.500 120.038 120.500 0.063 0.000 2.254 391 R HA 0.582 4.922 4.340 -0.001 0.000 0.193 391 R C 1.185 177.529 176.300 0.073 0.000 0.929 391 R CA 1.037 57.190 56.100 0.088 0.000 1.038 391 R CB 0.538 30.915 30.300 0.127 0.000 1.009 391 R HN 0.699 nan 8.270 nan 0.000 0.512 392 A N 0.672 123.522 122.820 0.050 0.000 2.515 392 A HA 0.511 4.831 4.320 -0.001 0.000 0.296 392 A C -1.123 176.466 177.584 0.008 0.000 1.094 392 A CA -0.832 51.227 52.037 0.036 0.000 0.718 392 A CB 1.332 20.372 19.000 0.067 0.000 1.307 392 A HN 0.008 nan 8.150 nan 0.000 0.408 393 K N 0.481 120.882 120.400 0.001 0.000 2.202 393 K HA 0.273 4.593 4.320 -0.001 0.000 0.264 393 K C 0.864 177.457 176.600 -0.012 0.000 1.010 393 K CA -0.579 55.708 56.287 0.000 0.000 0.940 393 K CB 1.019 33.518 32.500 -0.001 0.000 0.983 393 K HN 0.689 nan 8.250 nan 0.000 0.475 394 R N 1.118 121.621 120.500 0.005 0.000 2.152 394 R HA -0.162 4.178 4.340 -0.001 0.000 0.232 394 R C 0.769 177.076 176.300 0.011 0.000 1.117 394 R CA 1.393 57.504 56.100 0.018 0.000 0.981 394 R CB 0.028 30.362 30.300 0.056 0.000 0.870 394 R HN 0.617 nan 8.270 nan 0.000 0.451 395 D N 0.568 120.970 120.400 0.003 0.000 2.263 395 D HA -0.163 4.477 4.640 -0.001 0.000 0.208 395 D C 1.731 178.018 176.300 -0.022 0.000 0.971 395 D CA 1.107 55.107 54.000 -0.000 0.000 0.867 395 D CB -0.148 40.650 40.800 -0.004 0.000 0.929 395 D HN 0.492 nan 8.370 nan 0.000 0.492 396 I N -1.990 118.548 120.570 -0.054 0.000 2.454 396 I HA -0.170 4.000 4.170 -0.001 0.000 0.254 396 I C 1.977 178.008 176.117 -0.143 0.000 1.156 396 I CA 0.810 62.048 61.300 -0.104 0.000 1.433 396 I CB -0.481 37.435 38.000 -0.139 0.000 1.082 396 I HN -0.107 nan 8.210 nan 0.000 0.432 397 L N 1.082 122.246 121.223 -0.097 0.000 2.191 397 L HA -0.145 4.195 4.340 -0.001 0.000 0.212 397 L C 2.582 179.496 176.870 0.074 0.000 1.103 397 L CA 1.403 56.215 54.840 -0.048 0.000 0.769 397 L CB -0.695 41.425 42.059 0.101 0.000 0.908 397 L HN 0.250 nan 8.230 nan 0.000 0.438 398 K N -0.179 120.256 120.400 0.059 0.000 2.209 398 K HA -0.161 4.159 4.320 -0.001 0.000 0.204 398 K C 2.136 178.746 176.600 0.016 0.000 1.048 398 K CA 1.829 58.154 56.287 0.064 0.000 0.940 398 K CB -0.301 32.215 32.500 0.026 0.000 0.729 398 K HN 0.470 nan 8.250 nan 0.000 0.451 399 T N -1.499 113.030 114.554 -0.042 0.000 2.962 399 T HA -0.180 4.170 4.350 -0.001 0.000 0.270 399 T C 1.735 176.361 174.700 -0.122 0.000 1.088 399 T CA 0.576 62.617 62.100 -0.099 0.000 1.127 399 T CB -0.357 68.438 68.868 -0.122 0.000 0.883 399 T HN 0.242 nan 8.240 nan 0.000 0.493 400 Y N 2.439 122.619 120.300 -0.201 0.000 2.049 400 Y HA -0.136 4.413 4.550 -0.001 0.000 0.277 400 Y C 2.460 178.328 175.900 -0.053 0.000 1.143 400 Y CA 2.012 60.005 58.100 -0.178 0.000 1.115 400 Y CB -0.795 37.547 38.460 -0.196 0.000 0.975 400 Y HN 0.371 nan 8.280 nan 0.000 0.487 401 E N -0.185 119.912 120.200 -0.172 0.000 2.110 401 E HA -0.243 4.107 4.350 -0.001 0.000 0.193 401 E C 1.986 178.407 176.600 -0.298 0.000 0.988 401 E CA 1.501 57.704 56.400 -0.329 0.000 0.804 401 E CB -0.147 29.506 29.700 -0.078 0.000 0.745 401 E HN 0.716 nan 8.360 nan 0.000 0.458 402 E N 0.137 120.230 120.200 -0.179 0.000 2.110 402 E HA -0.186 4.163 4.350 -0.001 0.000 0.193 402 E C 1.952 178.460 176.600 -0.152 0.000 0.988 402 E CA 1.363 57.682 56.400 -0.135 0.000 0.804 402 E CB 0.087 29.734 29.700 -0.089 0.000 0.745 402 E HN 0.353 nan 8.360 nan 0.000 0.458 403 E N -0.231 119.813 120.200 -0.261 0.000 2.102 403 E HA -0.002 4.347 4.350 -0.001 0.000 0.190 403 E C 2.046 178.559 176.600 -0.145 0.000 0.971 403 E CA 0.342 56.543 56.400 -0.332 0.000 0.821 403 E CB 0.267 29.388 29.700 -0.965 0.000 0.777 403 E HN 0.010 nan 8.360 nan 0.000 0.460 404 R N 0.182 120.531 120.500 -0.251 0.000 2.173 404 R HA 0.007 4.347 4.340 -0.001 0.000 0.208 404 R C 2.189 178.371 176.300 -0.198 0.000 1.035 404 R CA 0.741 56.795 56.100 -0.077 0.000 1.004 404 R CB -0.573 29.711 30.300 -0.026 0.000 0.917 404 R HN 0.357 nan 8.270 nan 0.000 0.462 405 H N 1.014 119.622 119.070 -0.771 0.000 2.363 405 H HA 0.083 4.638 4.556 -0.001 0.000 0.301 405 H C 1.498 176.647 175.328 -0.298 0.000 1.074 405 H CA 1.566 57.033 56.048 -0.969 0.000 1.354 405 H CB 0.297 29.330 29.762 -1.216 0.000 1.397 405 H HN 0.086 nan 8.280 nan 0.000 0.516 406 A N 0.844 123.456 122.820 -0.346 0.000 1.933 406 A HA -0.174 4.146 4.320 -0.001 0.000 0.218 406 A C 2.381 179.876 177.584 -0.149 0.000 1.175 406 A CA 1.290 53.191 52.037 -0.226 0.000 0.628 406 A CB -1.305 17.687 19.000 -0.014 0.000 0.814 406 A HN 0.508 nan 8.150 nan 0.000 0.444 407 F N 0.987 120.874 119.950 -0.105 0.000 2.171 407 F HA -0.087 4.440 4.527 -0.001 0.000 0.300 407 F C 2.481 178.270 175.800 -0.018 0.000 1.090 407 F CA 1.161 59.160 58.000 -0.001 0.000 1.293 407 F CB -0.327 38.705 39.000 0.053 0.000 1.013 407 F HN 0.250 nan 8.300 nan 0.000 0.486 408 A N -0.299 122.467 122.820 -0.091 0.000 1.933 408 A HA -0.252 4.068 4.320 -0.001 0.000 0.218 408 A C 2.078 179.544 177.584 -0.196 0.000 1.175 408 A CA 1.754 53.727 52.037 -0.107 0.000 0.628 408 A CB -0.942 18.228 19.000 0.283 0.000 0.814 408 A HN 0.519 nan 8.150 nan 0.000 0.444 409 Q N -0.054 119.566 119.800 -0.300 0.000 2.050 409 Q HA -0.043 4.297 4.340 -0.001 0.000 0.202 409 Q C 2.052 177.925 176.000 -0.212 0.000 0.980 409 Q CA 2.278 57.944 55.803 -0.228 0.000 0.840 409 Q CB -0.616 27.973 28.738 -0.248 0.000 0.898 409 Q HN 0.544 nan 8.270 nan 0.000 0.424 410 A N 0.156 122.817 122.820 -0.265 0.000 1.933 410 A HA -0.126 4.194 4.320 -0.001 0.000 0.218 410 A C 1.989 179.329 177.584 -0.407 0.000 1.175 410 A CA 1.439 53.295 52.037 -0.301 0.000 0.628 410 A CB -0.852 18.017 19.000 -0.218 0.000 0.814 410 A HN 0.504 nan 8.150 nan 0.000 0.444 411 L N -0.528 120.483 121.223 -0.353 0.000 2.017 411 L HA -0.109 4.231 4.340 -0.001 0.000 0.208 411 L C 2.068 178.853 176.870 -0.142 0.000 1.073 411 L CA 1.910 56.638 54.840 -0.187 0.000 0.745 411 L CB -0.588 41.305 42.059 -0.278 0.000 0.894 411 L HN 0.258 nan 8.230 nan 0.000 0.432 412 I N 0.341 120.846 120.570 -0.107 0.000 2.286 412 I HA -0.236 3.934 4.170 -0.001 0.000 0.248 412 I C 2.062 178.169 176.117 -0.018 0.000 1.115 412 I CA 1.284 62.577 61.300 -0.012 0.000 1.392 412 I CB -0.747 37.281 38.000 0.046 0.000 1.065 412 I HN 0.323 nan 8.210 nan 0.000 0.418 413 D N -0.343 120.007 120.400 -0.084 0.000 2.117 413 D HA -0.222 4.417 4.640 -0.001 0.000 0.197 413 D C 2.044 178.313 176.300 -0.052 0.000 0.987 413 D CA 1.171 55.125 54.000 -0.077 0.000 0.829 413 D CB -0.413 40.310 40.800 -0.128 0.000 0.961 413 D HN 0.321 nan 8.370 nan 0.000 0.460 414 F N 1.822 121.580 119.950 -0.319 0.000 2.102 414 F HA -0.151 4.376 4.527 -0.001 0.000 0.298 414 F C 1.873 177.609 175.800 -0.107 0.000 1.105 414 F CA 1.468 59.264 58.000 -0.339 0.000 1.239 414 F CB -0.489 38.073 39.000 -0.730 0.000 0.991 414 F HN -0.193 nan 8.300 nan 0.000 0.474 415 D N -1.091 119.031 120.400 -0.465 0.000 2.144 415 D HA -0.229 4.411 4.640 -0.001 0.000 0.199 415 D C 2.149 178.347 176.300 -0.170 0.000 0.984 415 D CA 1.527 55.272 54.000 -0.425 0.000 0.834 415 D CB -0.294 40.394 40.800 -0.187 0.000 0.955 415 D HN 0.538 nan 8.370 nan 0.000 0.465 416 H N -0.019 118.977 119.070 -0.124 0.000 2.289 416 H HA -0.166 4.390 4.556 -0.001 0.000 0.296 416 H C 2.067 177.382 175.328 -0.021 0.000 1.091 416 H CA 2.411 58.435 56.048 -0.040 0.000 1.274 416 H CB -0.026 29.724 29.762 -0.020 0.000 1.364 416 H HN 0.122 nan 8.280 nan 0.000 0.490 417 Q N -0.782 119.097 119.800 0.131 0.000 1.994 417 Q HA -0.159 4.181 4.340 -0.001 0.000 0.198 417 Q C 2.174 178.233 176.000 0.097 0.000 0.976 417 Q CA 1.460 57.334 55.803 0.119 0.000 0.828 417 Q CB -0.383 28.433 28.738 0.130 0.000 0.894 417 Q HN 0.502 nan 8.270 nan 0.000 0.432 418 F N 2.036 121.874 119.950 -0.186 0.000 2.120 418 F HA -0.229 4.297 4.527 -0.001 0.000 0.300 418 F C 2.658 178.418 175.800 -0.066 0.000 1.095 418 F CA 1.931 59.825 58.000 -0.178 0.000 1.249 418 F CB -0.673 38.002 39.000 -0.541 0.000 0.995 418 F HN 0.269 nan 8.300 nan 0.000 0.480 419 S N -0.213 115.399 115.700 -0.147 0.000 2.402 419 S HA -0.183 4.286 4.470 -0.001 0.000 0.229 419 S C 2.140 176.669 174.600 -0.119 0.000 1.021 419 S CA 1.035 59.109 58.200 -0.211 0.000 0.974 419 S CB -0.609 62.472 63.200 -0.199 0.000 0.800 419 S HN 0.452 nan 8.310 nan 0.000 0.484 420 R N 0.807 121.268 120.500 -0.065 0.000 2.073 420 R HA 0.231 4.570 4.340 -0.001 0.000 0.229 420 R C 2.351 178.642 176.300 -0.015 0.000 1.120 420 R CA 1.243 57.331 56.100 -0.021 0.000 0.967 420 R CB -0.575 29.746 30.300 0.035 0.000 0.862 420 R HN 0.395 nan 8.270 nan 0.000 0.436 421 L N -0.650 120.588 121.223 0.024 0.000 2.083 421 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 421 L C 2.097 178.932 176.870 -0.059 0.000 1.083 421 L CA 1.030 55.888 54.840 0.030 0.000 0.752 421 L CB -0.339 41.835 42.059 0.192 0.000 0.899 421 L HN 0.100 nan 8.230 nan 0.000 0.433 422 F N 0.248 120.071 119.950 -0.213 0.000 2.259 422 F HA -0.134 4.393 4.527 -0.001 0.000 0.298 422 F C 2.462 178.184 175.800 -0.129 0.000 1.088 422 F CA 1.205 59.028 58.000 -0.294 0.000 1.358 422 F CB -0.070 38.680 39.000 -0.416 0.000 1.040 422 F HN -0.047 nan 8.300 nan 0.000 0.505 423 S N -0.898 114.836 115.700 0.057 0.000 2.575 423 S HA 0.234 4.704 4.470 -0.001 0.000 0.215 423 S C 1.089 175.482 174.600 -0.345 0.000 0.966 423 S CA 0.237 58.317 58.200 -0.200 0.000 0.911 423 S CB -0.301 62.459 63.200 -0.732 0.000 0.780 423 S HN 0.279 nan 8.310 nan 0.000 0.514 424 G N 1.270 109.994 108.800 -0.127 0.000 2.504 424 G HA2 0.464 4.424 3.960 -0.001 0.000 0.288 424 G HA3 0.464 4.424 3.960 -0.001 0.000 0.288 424 G C -0.429 174.487 174.900 0.026 0.000 1.182 424 G CA -0.787 44.300 45.100 -0.021 0.000 0.894 424 G HN 0.268 nan 8.290 nan 0.000 0.521 425 R N 1.373 121.887 120.500 0.024 0.000 2.389 425 R HA 0.231 4.571 4.340 -0.001 0.000 0.295 425 R C -2.084 174.193 176.300 -0.038 0.000 1.075 425 R CA -1.324 54.784 56.100 0.014 0.000 1.005 425 R CB 0.779 31.088 30.300 0.015 0.000 0.987 425 R HN 0.275 nan 8.270 nan 0.000 0.452 426 P HA 0.011 nan 4.420 nan 0.000 0.268 426 P C -1.002 176.249 177.300 -0.080 0.000 1.205 426 P CA -0.107 62.898 63.100 -0.159 0.000 0.771 426 P CB 0.877 32.492 31.700 -0.141 0.000 0.858 427 A N 4.082 126.853 122.820 -0.081 0.000 2.520 427 A HA 0.046 4.365 4.320 -0.001 0.000 0.245 427 A C 1.491 179.058 177.584 -0.028 0.000 1.072 427 A CA -0.019 51.993 52.037 -0.041 0.000 0.761 427 A CB -0.135 18.846 19.000 -0.033 0.000 1.004 427 A HN 0.477 nan 8.150 nan 0.000 0.499 428 K N 1.929 122.319 120.400 -0.017 0.000 1.975 428 K HA -0.046 4.274 4.320 -0.001 0.000 0.210 428 K C 0.077 176.670 176.600 -0.011 0.000 1.041 428 K CA 1.024 57.303 56.287 -0.012 0.000 0.942 428 K CB -0.412 32.082 32.500 -0.009 0.000 0.729 428 K HN 0.815 nan 8.250 nan 0.000 0.439 429 D N 0.490 120.885 120.400 -0.009 0.000 2.478 429 D HA 0.044 4.684 4.640 -0.001 0.000 0.274 429 D C 1.520 177.817 176.300 -0.005 0.000 1.234 429 D CA -0.326 53.670 54.000 -0.007 0.000 1.069 429 D CB 0.788 41.585 40.800 -0.005 0.000 1.113 429 D HN -0.250 nan 8.370 nan 0.000 0.571 430 V N 0.043 119.955 119.914 -0.003 0.000 2.951 430 V HA -0.067 4.052 4.120 -0.001 0.000 0.255 430 V C 1.932 178.027 176.094 0.001 0.000 1.088 430 V CA 1.735 64.035 62.300 -0.001 0.000 1.109 430 V CB -0.244 31.579 31.823 0.000 0.000 0.724 430 V HN 0.636 nan 8.190 nan 0.000 0.471 431 A N -1.441 121.379 122.820 -0.000 0.000 2.195 431 A HA 0.047 4.367 4.320 -0.001 0.000 0.210 431 A C 1.155 178.740 177.584 0.001 0.000 1.165 431 A CA 0.127 52.165 52.037 0.001 0.000 0.806 431 A CB -0.116 18.885 19.000 0.001 0.000 0.847 431 A HN 0.400 nan 8.150 nan 0.000 0.482 432 D N 1.283 121.682 120.400 -0.001 0.000 2.441 432 D HA 0.001 4.641 4.640 -0.001 0.000 0.243 432 D C 1.321 177.621 176.300 -0.000 0.000 1.257 432 D CA 0.282 54.281 54.000 -0.002 0.000 1.027 432 D CB 0.252 41.049 40.800 -0.006 0.000 1.084 432 D HN 0.710 nan 8.370 nan 0.000 0.514 433 E N 3.319 123.522 120.200 0.005 0.000 2.112 433 E HA -0.219 4.131 4.350 -0.001 0.000 0.190 433 E C 1.859 178.466 176.600 0.012 0.000 0.979 433 E CA 0.367 56.772 56.400 0.009 0.000 0.814 433 E CB -0.218 29.489 29.700 0.011 0.000 0.762 433 E HN 0.457 nan 8.360 nan 0.000 0.460 434 M N 2.306 121.914 119.600 0.013 0.000 2.065 434 M HA 0.015 4.494 4.480 -0.001 0.000 0.259 434 M C 1.324 177.634 176.300 0.015 0.000 1.069 434 M CA 2.014 57.326 55.300 0.019 0.000 1.110 434 M CB -0.876 31.736 32.600 0.021 0.000 1.328 434 M HN 0.014 nan 8.290 nan 0.000 0.405 435 G N 0.655 109.457 108.800 0.002 0.000 2.760 435 G HA2 0.297 4.256 3.960 -0.001 0.000 0.236 435 G HA3 0.297 4.256 3.960 -0.001 0.000 0.236 435 G C -0.690 174.192 174.900 -0.030 0.000 1.243 435 G CA -0.382 44.708 45.100 -0.016 0.000 0.850 435 G HN 0.346 nan 8.290 nan 0.000 0.595 436 V N 0.709 120.577 119.914 -0.077 0.000 2.432 436 V HA 0.306 4.425 4.120 -0.001 0.000 0.275 436 V C 0.917 176.941 176.094 -0.117 0.000 1.043 436 V CA -0.370 61.866 62.300 -0.107 0.000 0.925 436 V CB 1.321 33.016 31.823 -0.215 0.000 0.985 436 V HN 0.869 nan 8.190 nan 0.000 0.466 437 S N 6.086 121.758 115.700 -0.048 0.000 2.488 437 S HA 0.123 4.593 4.470 -0.001 0.000 0.278 437 S C 1.264 175.856 174.600 -0.013 0.000 1.259 437 S CA -0.642 57.545 58.200 -0.023 0.000 1.061 437 S CB 0.420 63.629 63.200 0.014 0.000 0.910 437 S HN 0.581 nan 8.310 nan 0.000 0.491 438 M N 3.502 123.085 119.600 -0.029 0.000 2.213 438 M HA -0.058 4.422 4.480 -0.001 0.000 0.263 438 M C 1.492 177.865 176.300 0.122 0.000 1.062 438 M CA 1.327 56.646 55.300 0.031 0.000 1.105 438 M CB -1.279 31.328 32.600 0.013 0.000 1.385 438 M HN 0.695 nan 8.290 nan 0.000 0.417 439 D N -0.301 120.144 120.400 0.075 0.000 2.144 439 D HA -0.080 4.560 4.640 -0.001 0.000 0.200 439 D C 2.135 178.487 176.300 0.088 0.000 0.978 439 D CA 1.043 55.086 54.000 0.071 0.000 0.833 439 D CB 0.207 41.032 40.800 0.042 0.000 0.961 439 D HN 0.212 nan 8.370 nan 0.000 0.470 440 V N 1.308 121.282 119.914 0.099 0.000 2.358 440 V HA -0.215 3.905 4.120 -0.001 0.000 0.246 440 V C 2.159 178.363 176.094 0.182 0.000 1.047 440 V CA 1.047 63.415 62.300 0.114 0.000 1.035 440 V CB -0.563 31.319 31.823 0.099 0.000 0.658 440 V HN 0.052 nan 8.190 nan 0.000 0.452 441 F N 1.555 121.533 119.950 0.046 0.000 2.065 441 F HA -0.247 4.279 4.527 -0.001 0.000 0.298 441 F C 2.485 178.405 175.800 0.200 0.000 1.112 441 F CA 2.366 60.421 58.000 0.093 0.000 1.212 441 F CB -0.462 38.537 39.000 -0.001 0.000 0.975 441 F HN 0.037 nan 8.300 nan 0.000 0.476 442 K N 0.173 120.603 120.400 0.051 0.000 2.063 442 K HA -0.260 4.060 4.320 -0.001 0.000 0.208 442 K C 2.236 178.840 176.600 0.005 0.000 1.048 442 K CA 1.877 58.148 56.287 -0.027 0.000 0.928 442 K CB -0.385 32.133 32.500 0.029 0.000 0.713 442 K HN 0.458 nan 8.250 nan 0.000 0.442 443 E N -0.327 119.896 120.200 0.040 0.000 2.051 443 E HA -0.187 4.163 4.350 -0.001 0.000 0.192 443 E C 1.824 178.451 176.600 0.046 0.000 0.991 443 E CA 1.036 57.458 56.400 0.038 0.000 0.799 443 E CB -0.103 29.625 29.700 0.045 0.000 0.748 443 E HN 0.446 nan 8.360 nan 0.000 0.449 444 A N 0.519 123.387 122.820 0.080 0.000 1.877 444 A HA -0.190 4.130 4.320 -0.001 0.000 0.216 444 A C 1.971 179.566 177.584 0.018 0.000 1.186 444 A CA 1.171 53.268 52.037 0.101 0.000 0.620 444 A CB -0.803 18.345 19.000 0.247 0.000 0.822 444 A HN 0.373 nan 8.150 nan 0.000 0.443 445 F N 0.453 120.327 119.950 -0.126 0.000 2.102 445 F HA -0.137 4.390 4.527 -0.001 0.000 0.298 445 F C 2.517 178.219 175.800 -0.164 0.000 1.105 445 F CA 1.438 59.322 58.000 -0.192 0.000 1.239 445 F CB -0.602 38.274 39.000 -0.206 0.000 0.991 445 F HN 0.034 nan 8.300 nan 0.000 0.474 446 V N 0.331 120.307 119.914 0.102 0.000 2.287 446 V HA -0.338 3.782 4.120 -0.001 0.000 0.248 446 V C 2.454 178.543 176.094 -0.008 0.000 1.053 446 V CA 2.327 64.638 62.300 0.017 0.000 1.027 446 V CB -0.770 31.045 31.823 -0.013 0.000 0.646 446 V HN 0.283 nan 8.190 nan 0.000 0.447 447 K N 0.317 120.705 120.400 -0.019 0.000 2.103 447 K HA -0.096 4.224 4.320 -0.001 0.000 0.204 447 K C 2.171 178.694 176.600 -0.128 0.000 1.052 447 K CA 1.427 57.682 56.287 -0.055 0.000 0.945 447 K CB -0.553 31.925 32.500 -0.037 0.000 0.722 447 K HN 0.463 nan 8.250 nan 0.000 0.443 448 G N 0.916 109.606 108.800 -0.184 0.000 2.442 448 G HA2 -0.285 3.674 3.960 -0.001 0.000 0.219 448 G HA3 -0.285 3.674 3.960 -0.001 0.000 0.219 448 G C 1.068 175.773 174.900 -0.325 0.000 1.141 448 G CA 1.137 45.971 45.100 -0.444 0.000 0.763 448 G HN 0.465 nan 8.290 nan 0.000 0.554 449 N N -0.001 118.641 118.700 -0.097 0.000 2.223 449 N HA -0.073 4.667 4.740 -0.001 0.000 0.185 449 N C 2.058 177.525 175.510 -0.071 0.000 1.016 449 N CA 0.968 54.001 53.050 -0.028 0.000 0.863 449 N CB -0.090 38.414 38.487 0.028 0.000 0.983 449 N HN 0.573 nan 8.380 nan 0.000 0.429 450 E N 0.770 120.922 120.200 -0.080 0.000 2.028 450 E HA -0.203 4.147 4.350 -0.001 0.000 0.191 450 E C 1.752 178.298 176.600 -0.089 0.000 0.988 450 E CA 0.775 57.132 56.400 -0.072 0.000 0.799 450 E CB -0.136 29.533 29.700 -0.052 0.000 0.755 450 E HN 0.309 nan 8.360 nan 0.000 0.447 451 F N 1.311 121.095 119.950 -0.276 0.000 2.069 451 F HA -0.148 4.379 4.527 -0.001 0.000 0.298 451 F C 2.088 177.737 175.800 -0.252 0.000 1.113 451 F CA 1.908 59.722 58.000 -0.310 0.000 1.214 451 F CB -0.537 38.121 39.000 -0.569 0.000 0.978 451 F HN 0.120 nan 8.300 nan 0.000 0.474 452 A N -0.277 122.392 122.820 -0.252 0.000 2.125 452 A HA -0.143 4.176 4.320 -0.001 0.000 0.219 452 A C 2.265 179.767 177.584 -0.138 0.000 1.156 452 A CA 1.559 53.495 52.037 -0.170 0.000 0.671 452 A CB -1.345 17.639 19.000 -0.025 0.000 0.794 452 A HN 0.563 nan 8.150 nan 0.000 0.459 453 S N -1.351 114.265 115.700 -0.139 0.000 2.442 453 S HA 0.204 4.674 4.470 -0.001 0.000 0.236 453 S C 1.698 176.212 174.600 -0.144 0.000 1.007 453 S CA 1.392 59.529 58.200 -0.105 0.000 0.965 453 S CB -0.721 62.426 63.200 -0.087 0.000 0.773 453 S HN 1.938 nan 8.310 nan 0.000 0.504 454 G N 0.660 109.322 108.800 -0.230 0.000 2.184 454 G HA2 -0.333 3.626 3.960 -0.001 0.000 0.264 454 G HA3 -0.333 3.626 3.960 -0.001 0.000 0.264 454 G C 0.861 175.631 174.900 -0.216 0.000 0.975 454 G CA 1.099 46.041 45.100 -0.263 0.000 0.642 454 G HN 1.245 nan 8.290 nan 0.000 0.536 455 T N -3.066 111.385 114.554 -0.171 0.000 3.081 455 T HA 0.599 4.949 4.350 -0.001 0.000 0.250 455 T C 2.032 176.655 174.700 -0.128 0.000 1.100 455 T CA 1.211 63.225 62.100 -0.143 0.000 1.038 455 T CB 0.502 69.301 68.868 -0.114 0.000 0.962 455 T HN 1.299 nan 8.240 nan 0.000 0.516 456 A N 0.949 123.695 122.820 -0.124 0.000 2.267 456 A HA 0.486 4.806 4.320 -0.001 0.000 0.213 456 A C 0.872 178.425 177.584 -0.052 0.000 1.192 456 A CA -0.527 51.467 52.037 -0.072 0.000 0.851 456 A CB -0.479 18.499 19.000 -0.036 0.000 0.881 456 A HN 0.603 nan 8.150 nan 0.000 0.494 457 I N 1.638 122.157 120.570 -0.085 0.000 2.919 457 I HA -0.120 4.049 4.170 -0.001 0.000 0.303 457 I C 0.199 176.231 176.117 -0.142 0.000 1.221 457 I CA 0.519 61.753 61.300 -0.110 0.000 1.444 457 I CB 0.140 37.962 38.000 -0.297 0.000 1.331 457 I HN 0.274 nan 8.210 nan 0.000 0.572 458 N N 6.410 125.038 118.700 -0.119 0.000 2.540 458 N HA 0.211 4.951 4.740 -0.001 0.000 0.275 458 N C -1.278 174.219 175.510 -0.022 0.000 1.053 458 N CA -0.508 52.501 53.050 -0.067 0.000 0.876 458 N CB 0.768 39.260 38.487 0.010 0.000 1.284 458 N HN 0.207 nan 8.380 nan 0.000 0.518 459 Y N 1.072 121.422 120.300 0.085 0.000 2.359 459 Y HA 0.177 4.727 4.550 -0.001 0.000 0.330 459 Y C 1.006 176.936 175.900 0.050 0.000 1.143 459 Y CA -0.200 57.926 58.100 0.043 0.000 1.318 459 Y CB 0.433 38.896 38.460 0.004 0.000 1.234 459 Y HN 0.376 nan 8.280 nan 0.000 0.522 460 D N 1.345 121.872 120.400 0.211 0.000 2.368 460 D HA -0.021 4.619 4.640 -0.001 0.000 0.240 460 D C 0.101 176.471 176.300 0.116 0.000 1.169 460 D CA -0.239 53.835 54.000 0.125 0.000 0.906 460 D CB 0.452 41.302 40.800 0.084 0.000 1.187 460 D HN 0.584 nan 8.370 nan 0.000 0.435 461 E N 0.614 120.868 120.200 0.089 0.000 2.481 461 E HA -0.010 4.340 4.350 -0.001 0.000 0.263 461 E C -0.165 176.477 176.600 0.070 0.000 0.992 461 E CA 0.208 56.657 56.400 0.083 0.000 0.938 461 E CB 0.243 29.980 29.700 0.062 0.000 0.933 461 E HN 0.526 nan 8.360 nan 0.000 0.453 462 N N 2.244 120.990 118.700 0.076 0.000 3.387 462 N HA -0.031 4.709 4.740 -0.001 0.000 0.294 462 N C -0.320 175.227 175.510 0.062 0.000 1.519 462 N CA -0.686 52.394 53.050 0.050 0.000 0.875 462 N CB -0.235 38.266 38.487 0.023 0.000 1.657 462 N HN 0.401 nan 8.380 nan 0.000 0.527 463 L N -0.036 121.208 121.223 0.035 0.000 2.131 463 L HA 0.093 4.432 4.340 -0.001 0.000 0.210 463 L C 1.345 178.242 176.870 0.044 0.000 1.092 463 L CA 2.039 56.892 54.840 0.021 0.000 0.759 463 L CB -0.288 41.765 42.059 -0.009 0.000 0.903 463 L HN 0.643 nan 8.230 nan 0.000 0.435 464 V N -4.615 115.372 119.914 0.120 0.000 3.444 464 V HA 0.318 4.438 4.120 -0.001 0.000 0.308 464 V C 0.007 176.349 176.094 0.414 0.000 1.371 464 V CA 0.273 62.729 62.300 0.260 0.000 1.141 464 V CB -0.499 31.540 31.823 0.361 0.000 1.037 464 V HN 0.349 nan 8.190 nan 0.000 0.433 465 T N 1.292 116.028 114.554 0.303 0.000 3.008 465 T HA 0.365 4.714 4.350 -0.001 0.000 0.328 465 T C -1.206 173.604 174.700 0.183 0.000 1.020 465 T CA -0.049 62.200 62.100 0.248 0.000 1.043 465 T CB 1.238 70.230 68.868 0.206 0.000 1.010 465 T HN 0.320 nan 8.240 nan 0.000 0.466 466 D N 2.318 122.805 120.400 0.145 0.000 2.485 466 D HA 0.316 4.955 4.640 -0.001 0.000 0.229 466 D C 0.941 177.262 176.300 0.036 0.000 1.101 466 D CA -0.536 53.523 54.000 0.099 0.000 0.906 466 D CB 0.820 41.699 40.800 0.131 0.000 1.019 466 D HN 0.316 nan 8.370 nan 0.000 0.516 467 K N 1.603 122.032 120.400 0.048 0.000 2.098 467 K HA 0.013 4.333 4.320 -0.001 0.000 0.203 467 K C 1.687 178.301 176.600 0.024 0.000 1.051 467 K CA 0.501 56.807 56.287 0.032 0.000 0.957 467 K CB 0.482 33.007 32.500 0.041 0.000 0.738 467 K HN 0.187 nan 8.250 nan 0.000 0.447 468 K N 0.769 121.187 120.400 0.030 0.000 2.103 468 K HA -0.076 4.244 4.320 -0.001 0.000 0.207 468 K C 1.665 178.277 176.600 0.020 0.000 1.048 468 K CA 1.559 57.861 56.287 0.025 0.000 0.930 468 K CB -0.000 32.517 32.500 0.029 0.000 0.716 468 K HN -0.003 nan 8.250 nan 0.000 0.444 469 S N 0.474 116.187 115.700 0.021 0.000 2.605 469 S HA 0.095 4.565 4.470 -0.001 0.000 0.217 469 S C 0.239 174.839 174.600 -0.000 0.000 0.958 469 S CA -0.268 57.941 58.200 0.015 0.000 0.919 469 S CB 0.485 63.701 63.200 0.027 0.000 0.780 469 S HN 0.054 nan 8.310 nan 0.000 0.507 470 S N 1.955 117.652 115.700 -0.006 0.000 2.616 470 S HA 0.329 4.798 4.470 -0.001 0.000 0.277 470 S C 0.117 174.710 174.600 -0.012 0.000 1.234 470 S CA -0.662 57.527 58.200 -0.018 0.000 1.028 470 S CB 0.900 64.087 63.200 -0.022 0.000 0.988 470 S HN 0.241 nan 8.310 nan 0.000 0.522 471 K N 2.379 122.768 120.400 -0.018 0.000 2.319 471 K HA 0.143 4.463 4.320 -0.001 0.000 0.237 471 K C 0.648 177.233 176.600 -0.024 0.000 1.113 471 K CA -0.274 56.003 56.287 -0.017 0.000 1.072 471 K CB 0.551 33.041 32.500 -0.018 0.000 1.734 471 K HN 0.439 nan 8.250 nan 0.000 0.429 472 Q N 2.390 122.179 119.800 -0.019 0.000 2.217 472 Q HA -0.248 4.092 4.340 -0.001 0.000 0.209 472 Q C 1.851 177.832 176.000 -0.031 0.000 0.988 472 Q CA 1.938 57.728 55.803 -0.022 0.000 0.878 472 Q CB 0.138 28.869 28.738 -0.012 0.000 0.909 472 Q HN 0.562 nan 8.270 nan 0.000 0.424 473 E N -0.099 120.085 120.200 -0.027 0.000 2.333 473 E HA -0.183 4.167 4.350 -0.001 0.000 0.198 473 E C 1.573 178.148 176.600 -0.042 0.000 1.007 473 E CA 0.924 57.307 56.400 -0.029 0.000 0.845 473 E CB -0.429 29.260 29.700 -0.019 0.000 0.766 473 E HN 0.526 nan 8.360 nan 0.000 0.507 474 L N 0.272 121.465 121.223 -0.051 0.000 2.465 474 L HA 0.108 4.448 4.340 -0.001 0.000 0.224 474 L C 1.152 177.947 176.870 -0.125 0.000 1.145 474 L CA 0.792 55.589 54.840 -0.071 0.000 0.834 474 L CB -0.067 41.955 42.059 -0.062 0.000 0.944 474 L HN 0.123 nan 8.230 nan 0.000 0.451 475 A N -0.449 122.299 122.820 -0.121 0.000 3.158 475 A HA 0.301 4.620 4.320 -0.001 0.000 0.302 475 A C 0.684 178.208 177.584 -0.099 0.000 1.162 475 A CA -0.575 51.357 52.037 -0.175 0.000 0.824 475 A CB 0.216 19.084 19.000 -0.219 0.000 1.322 475 A HN 0.106 nan 8.150 nan 0.000 0.510 476 K N 0.296 120.652 120.400 -0.074 0.000 2.283 476 K HA -0.042 4.277 4.320 -0.001 0.000 0.202 476 K C 0.311 176.890 176.600 -0.036 0.000 1.048 476 K CA 0.980 57.240 56.287 -0.045 0.000 0.948 476 K CB 0.117 32.596 32.500 -0.035 0.000 0.742 476 K HN 0.505 nan 8.250 nan 0.000 0.458 477 N N 0.198 118.877 118.700 -0.034 0.000 2.328 477 N HA 0.083 4.823 4.740 -0.001 0.000 0.247 477 N C -0.859 174.642 175.510 -0.015 0.000 1.165 477 N CA 0.031 53.067 53.050 -0.024 0.000 0.873 477 N CB 0.714 39.185 38.487 -0.027 0.000 1.125 477 N HN 0.041 nan 8.380 nan 0.000 0.513 478 C N 1.335 120.619 119.300 -0.027 0.000 3.163 478 C HA 0.297 4.756 4.460 -0.001 0.000 0.228 478 C C 0.660 175.655 174.990 0.008 0.000 1.593 478 C CA -0.812 58.196 59.018 -0.016 0.000 1.489 478 C CB -0.622 27.112 27.740 -0.011 0.000 2.294 478 C HN 0.014 nan 8.230 nan 0.000 0.508 479 V N 2.331 122.246 119.914 0.002 0.000 2.485 479 V HA 0.024 4.144 4.120 -0.001 0.000 0.287 479 V C 0.754 176.873 176.094 0.042 0.000 1.022 479 V CA 0.455 62.764 62.300 0.013 0.000 1.067 479 V CB 0.513 32.339 31.823 0.005 0.000 0.967 479 V HN 0.492 nan 8.190 nan 0.000 0.479 480 V N 5.924 125.864 119.914 0.043 0.000 2.584 480 V HA 0.301 4.420 4.120 -0.001 0.000 0.303 480 V C 1.490 177.644 176.094 0.100 0.000 1.035 480 V CA 1.696 64.035 62.300 0.066 0.000 1.172 480 V CB -0.094 31.752 31.823 0.039 0.000 0.896 480 V HN 1.308 nan 8.190 nan 0.000 0.486 481 G N 3.536 112.434 108.800 0.163 0.000 2.195 481 G HA2 -0.201 3.759 3.960 -0.001 0.000 0.224 481 G HA3 -0.201 3.759 3.960 -0.001 0.000 0.224 481 G C 0.275 175.289 174.900 0.190 0.000 0.990 481 G CA 0.252 45.480 45.100 0.214 0.000 0.639 481 G HN 1.195 nan 8.290 nan 0.000 0.514 482 T N -1.394 113.248 114.554 0.147 0.000 2.948 482 T HA 0.710 5.059 4.350 -0.001 0.000 0.285 482 T C 0.342 175.025 174.700 -0.030 0.000 1.019 482 T CA -0.051 62.089 62.100 0.067 0.000 1.013 482 T CB 1.765 70.626 68.868 -0.012 0.000 1.117 482 T HN 0.972 nan 8.240 nan 0.000 0.533 483 R N 0.209 120.501 120.500 -0.346 0.000 2.590 483 R HA 0.369 4.709 4.340 -0.001 0.000 0.274 483 R C -0.630 175.556 176.300 -0.189 0.000 1.061 483 R CA -0.696 55.020 56.100 -0.640 0.000 1.081 483 R CB -0.622 29.222 30.300 -0.760 0.000 0.984 483 R HN 0.618 nan 8.270 nan 0.000 0.448 484 F N 2.858 122.695 119.950 -0.189 0.000 2.506 484 F HA 0.144 4.671 4.527 -0.001 0.000 0.369 484 F C 0.500 176.330 175.800 0.050 0.000 1.114 484 F CA -0.056 57.931 58.000 -0.021 0.000 1.121 484 F CB 0.365 39.364 39.000 -0.003 0.000 1.104 484 F HN 0.613 nan 8.300 nan 0.000 0.564 485 K N 4.767 124.982 120.400 -0.307 0.000 2.368 485 K HA 0.112 4.432 4.320 -0.001 0.000 0.282 485 K C 0.283 176.848 176.600 -0.057 0.000 1.035 485 K CA -0.298 55.890 56.287 -0.166 0.000 0.973 485 K CB 0.731 33.124 32.500 -0.179 0.000 0.957 485 K HN 0.659 nan 8.250 nan 0.000 0.474 486 S N 3.110 118.823 115.700 0.021 0.000 2.585 486 S HA 0.132 4.601 4.470 -0.001 0.000 0.273 486 S C -0.921 173.604 174.600 -0.125 0.000 1.339 486 S CA -0.394 57.876 58.200 0.116 0.000 1.028 486 S CB 0.580 63.801 63.200 0.035 0.000 0.906 486 S HN 0.560 nan 8.310 nan 0.000 0.528 487 Q N 2.022 121.718 119.800 -0.173 0.000 2.391 487 Q HA 0.424 4.763 4.340 -0.001 0.000 0.279 487 Q C -2.888 172.913 176.000 -0.331 0.000 1.028 487 Q CA -2.079 53.412 55.803 -0.520 0.000 0.836 487 Q CB 1.474 29.397 28.738 -1.359 0.000 1.414 487 Q HN 0.399 nan 8.270 nan 0.000 0.397 488 P HA 0.105 nan 4.420 nan 0.000 0.268 488 P C -0.486 176.556 177.300 -0.430 0.000 1.204 488 P CA -0.019 62.721 63.100 -0.600 0.000 0.768 488 P CB 0.627 31.989 31.700 -0.563 0.000 0.842 489 V N 0.823 120.472 119.914 -0.442 0.000 3.156 489 V HA 0.687 4.806 4.120 -0.001 0.000 0.310 489 V C -0.937 175.045 176.094 -0.187 0.000 1.234 489 V CA -1.039 61.158 62.300 -0.172 0.000 1.065 489 V CB 2.199 34.051 31.823 0.048 0.000 1.088 489 V HN 0.119 nan 8.190 nan 0.000 0.451 490 V N 1.477 121.370 119.914 -0.035 0.000 2.407 490 V HA 0.526 4.645 4.120 -0.001 0.000 0.291 490 V C 0.199 176.328 176.094 0.057 0.000 1.018 490 V CA -0.517 61.777 62.300 -0.010 0.000 0.842 490 V CB 1.226 32.995 31.823 -0.090 0.000 0.996 490 V HN 0.983 nan 8.190 nan 0.000 0.426 491 R N 2.047 122.613 120.500 0.110 0.000 2.489 491 R HA 0.114 4.454 4.340 -0.001 0.000 0.287 491 R C 1.156 177.441 176.300 -0.025 0.000 1.053 491 R CA 0.157 56.264 56.100 0.011 0.000 1.036 491 R CB 0.262 30.591 30.300 0.048 0.000 0.966 491 R HN 0.824 nan 8.270 nan 0.000 0.432 492 H N 1.547 120.530 119.070 -0.145 0.000 2.423 492 H HA -0.121 4.435 4.556 -0.001 0.000 0.297 492 H C 1.918 177.258 175.328 0.020 0.000 1.075 492 H CA 2.117 58.141 56.048 -0.040 0.000 1.342 492 H CB 0.396 30.148 29.762 -0.016 0.000 1.395 492 H HN 0.824 nan 8.280 nan 0.000 0.530 493 S N 0.375 116.199 115.700 0.206 0.000 2.368 493 S HA -0.242 4.228 4.470 -0.001 0.000 0.226 493 S C 1.755 176.430 174.600 0.124 0.000 1.044 493 S CA 1.666 59.984 58.200 0.197 0.000 1.062 493 S CB -0.105 63.207 63.200 0.186 0.000 0.931 493 S HN 0.784 nan 8.310 nan 0.000 0.440 494 E N 0.175 120.433 120.200 0.097 0.000 2.641 494 E HA 0.284 4.633 4.350 -0.001 0.000 0.224 494 E C 1.062 177.743 176.600 0.136 0.000 0.951 494 E CA 0.614 57.079 56.400 0.108 0.000 1.102 494 E CB 0.068 29.825 29.700 0.096 0.000 1.091 494 E HN 0.899 nan 8.360 nan 0.000 0.507 495 G N 1.893 110.742 108.800 0.082 0.000 2.131 495 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.223 495 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.223 495 G C -0.194 174.793 174.900 0.144 0.000 0.990 495 G CA 0.100 45.233 45.100 0.056 0.000 0.671 495 G HN 0.293 nan 8.290 nan 0.000 0.521 496 L N 0.714 122.028 121.223 0.152 0.000 2.410 496 L HA 0.652 4.992 4.340 -0.001 0.000 0.273 496 L C 0.507 177.498 176.870 0.202 0.000 1.144 496 L CA -1.091 53.867 54.840 0.196 0.000 0.863 496 L CB 0.296 42.445 42.059 0.149 0.000 1.140 496 L HN 0.262 nan 8.230 nan 0.000 0.463 497 W N 8.606 129.940 121.300 0.057 0.000 2.316 497 W HA 0.575 5.234 4.660 -0.001 0.000 0.311 497 W C -0.846 175.608 176.519 -0.107 0.000 1.217 497 W CA -0.697 56.626 57.345 -0.036 0.000 1.199 497 W CB 0.747 30.187 29.460 -0.032 0.000 1.202 497 W HN 0.646 nan 8.180 nan 0.000 0.528 498 M N 3.499 122.640 119.600 -0.765 0.000 2.603 498 M HA 0.332 4.811 4.480 -0.001 0.000 0.275 498 M C -1.606 174.123 176.300 -0.951 0.000 1.226 498 M CA -1.066 53.784 55.300 -0.751 0.000 0.870 498 M CB 1.980 34.441 32.600 -0.233 0.000 1.716 498 M HN 0.367 nan 8.290 nan 0.000 0.482 499 H N 1.215 119.948 119.070 -0.562 0.000 2.955 499 H HA 0.157 4.713 4.556 -0.001 0.000 0.290 499 H C 0.138 175.344 175.328 -0.204 0.000 1.047 499 H CA 0.146 55.961 56.048 -0.388 0.000 1.484 499 H CB 0.504 30.085 29.762 -0.301 0.000 1.501 499 H HN 0.636 nan 8.280 nan 0.000 0.521 500 F N 2.893 122.756 119.950 -0.144 0.000 2.216 500 F HA -0.081 4.445 4.527 -0.001 0.000 0.300 500 F C 2.262 178.038 175.800 -0.039 0.000 1.085 500 F CA 1.489 59.416 58.000 -0.122 0.000 1.326 500 F CB -0.322 38.713 39.000 0.057 0.000 1.027 500 F HN 0.664 nan 8.300 nan 0.000 0.497 501 G N -0.290 108.528 108.800 0.031 0.000 2.479 501 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.220 501 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.220 501 G C 1.241 176.051 174.900 -0.149 0.000 1.115 501 G CA 1.029 46.107 45.100 -0.037 0.000 0.757 501 G HN 0.323 nan 8.290 nan 0.000 0.560 502 D N -0.058 120.251 120.400 -0.150 0.000 2.264 502 D HA -0.051 4.589 4.640 -0.001 0.000 0.208 502 D C 2.453 178.615 176.300 -0.231 0.000 0.966 502 D CA 0.560 54.482 54.000 -0.129 0.000 0.864 502 D CB -0.034 40.718 40.800 -0.080 0.000 0.933 502 D HN 0.222 nan 8.370 nan 0.000 0.499 503 R N 0.489 120.725 120.500 -0.440 0.000 2.236 503 R HA 0.098 4.438 4.340 -0.001 0.000 0.208 503 R C 0.695 176.725 176.300 -0.451 0.000 1.036 503 R CA 0.333 56.119 56.100 -0.522 0.000 1.001 503 R CB -0.369 29.386 30.300 -0.909 0.000 0.896 503 R HN 0.114 nan 8.270 nan 0.000 0.464 504 L N 1.831 122.811 121.223 -0.406 0.000 2.727 504 L HA 0.247 4.586 4.340 -0.001 0.000 0.237 504 L C -0.436 176.337 176.870 -0.162 0.000 1.370 504 L CA -0.735 53.942 54.840 -0.270 0.000 1.248 504 L CB 0.398 42.326 42.059 -0.218 0.000 1.556 504 L HN -0.170 nan 8.230 nan 0.000 0.420 505 V N 0.349 120.171 119.914 -0.153 0.000 2.539 505 V HA -0.105 4.014 4.120 -0.001 0.000 0.300 505 V C 1.092 177.132 176.094 -0.091 0.000 1.019 505 V CA 0.521 62.760 62.300 -0.102 0.000 1.160 505 V CB 0.290 32.055 31.823 -0.098 0.000 0.901 505 V HN 0.497 nan 8.190 nan 0.000 0.481 506 T N 5.617 120.140 114.554 -0.053 0.000 2.743 506 T HA 0.271 4.620 4.350 -0.001 0.000 0.290 506 T C 0.372 175.013 174.700 -0.098 0.000 0.908 506 T CA 0.044 62.103 62.100 -0.068 0.000 1.092 506 T CB -0.056 68.830 68.868 0.031 0.000 0.882 506 T HN 1.027 nan 8.240 nan 0.000 0.531 507 D N 1.063 121.379 120.400 -0.140 0.000 2.615 507 D HA 0.257 4.896 4.640 -0.001 0.000 0.274 507 D C 1.217 177.378 176.300 -0.231 0.000 1.512 507 D CA -0.059 53.827 54.000 -0.191 0.000 0.803 507 D CB -0.360 40.350 40.800 -0.149 0.000 1.182 507 D HN 0.672 nan 8.370 nan 0.000 0.473 508 G N 0.449 109.169 108.800 -0.133 0.000 2.213 508 G HA2 -0.304 3.656 3.960 -0.001 0.000 0.236 508 G HA3 -0.304 3.656 3.960 -0.001 0.000 0.236 508 G C 0.290 175.187 174.900 -0.004 0.000 0.991 508 G CA -0.259 44.861 45.100 0.034 0.000 0.629 508 G HN 0.438 nan 8.290 nan 0.000 0.517 509 R N -0.385 120.080 120.500 -0.058 0.000 2.490 509 R HA 0.637 4.977 4.340 -0.001 0.000 0.278 509 R C -0.025 176.246 176.300 -0.047 0.000 1.069 509 R CA -0.403 55.705 56.100 0.014 0.000 1.080 509 R CB 0.379 30.689 30.300 0.016 0.000 1.030 509 R HN 0.096 nan 8.270 nan 0.000 0.491 510 F N 0.638 120.585 119.950 -0.005 0.000 2.370 510 F HA 0.409 4.936 4.527 -0.001 0.000 0.324 510 F C 0.719 176.539 175.800 0.033 0.000 1.116 510 F CA -0.145 57.879 58.000 0.040 0.000 1.123 510 F CB 1.045 40.221 39.000 0.293 0.000 1.238 510 F HN 0.168 nan 8.300 nan 0.000 0.536 511 R N 1.183 121.802 120.500 0.198 0.000 2.778 511 R HA 0.625 4.965 4.340 -0.001 0.000 0.277 511 R C -1.356 175.027 176.300 0.139 0.000 0.977 511 R CA -0.576 55.579 56.100 0.093 0.000 0.950 511 R CB 1.420 31.677 30.300 -0.072 0.000 1.165 511 R HN 0.519 nan 8.270 nan 0.000 0.474 512 I N 3.923 124.562 120.570 0.114 0.000 2.390 512 I HA 0.312 4.482 4.170 -0.001 0.000 0.283 512 I C -0.566 175.546 176.117 -0.008 0.000 1.016 512 I CA -0.599 60.771 61.300 0.117 0.000 1.151 512 I CB 1.177 39.318 38.000 0.235 0.000 1.293 512 I HN 0.300 nan 8.210 nan 0.000 0.458 513 I N 7.644 128.120 120.570 -0.155 0.000 2.301 513 I HA 0.160 4.330 4.170 -0.001 0.000 0.292 513 I C 0.235 176.136 176.117 -0.359 0.000 1.046 513 I CA -0.511 60.573 61.300 -0.361 0.000 1.282 513 I CB 1.145 38.745 38.000 -0.666 0.000 1.409 513 I HN 0.129 nan 8.210 nan 0.000 0.484 514 V N 7.911 127.649 119.914 -0.293 0.000 2.339 514 V HA 0.168 4.288 4.120 -0.001 0.000 0.261 514 V C 0.113 176.045 176.094 -0.270 0.000 1.058 514 V CA -0.404 61.757 62.300 -0.231 0.000 0.897 514 V CB -0.275 31.497 31.823 -0.086 0.000 1.052 514 V HN 0.329 nan 8.190 nan 0.000 0.480 515 F N 3.724 123.564 119.950 -0.183 0.000 2.600 515 F HA 0.293 4.819 4.527 -0.001 0.000 0.345 515 F C 1.584 177.434 175.800 0.083 0.000 1.271 515 F CA -0.067 57.858 58.000 -0.125 0.000 1.138 515 F CB 0.455 39.249 39.000 -0.344 0.000 1.449 515 F HN 0.586 nan 8.300 nan 0.000 0.645 516 A N 2.755 125.751 122.820 0.294 0.000 2.178 516 A HA 0.249 4.569 4.320 -0.001 0.000 0.218 516 A C 2.001 179.783 177.584 0.331 0.000 1.157 516 A CA 0.985 53.205 52.037 0.304 0.000 0.689 516 A CB -1.144 18.104 19.000 0.413 0.000 0.787 516 A HN 0.962 nan 8.150 nan 0.000 0.465 517 G N -0.384 108.682 108.800 0.443 0.000 2.566 517 G HA2 -0.371 3.588 3.960 -0.001 0.000 0.280 517 G HA3 -0.371 3.588 3.960 -0.001 0.000 0.280 517 G C 0.266 175.264 174.900 0.163 0.000 1.225 517 G CA 0.449 45.719 45.100 0.283 0.000 0.966 517 G HN 0.838 nan 8.290 nan 0.000 0.560 518 K N 1.571 122.027 120.400 0.094 0.000 2.111 518 K HA 0.573 4.893 4.320 -0.001 0.000 0.249 518 K C 1.627 178.255 176.600 0.048 0.000 1.157 518 K CA 0.780 57.104 56.287 0.062 0.000 1.048 518 K CB -0.334 32.184 32.500 0.030 0.000 1.498 518 K HN 0.905 nan 8.250 nan 0.000 0.344 519 A N 2.252 125.105 122.820 0.056 0.000 2.070 519 A HA -0.126 4.194 4.320 -0.001 0.000 0.220 519 A C 1.811 179.313 177.584 -0.137 0.000 1.159 519 A CA 1.860 53.864 52.037 -0.057 0.000 0.656 519 A CB -0.563 18.354 19.000 -0.138 0.000 0.800 519 A HN 0.795 nan 8.150 nan 0.000 0.453 520 T N -1.961 112.540 114.554 -0.087 0.000 3.072 520 T HA -0.000 4.350 4.350 -0.001 0.000 0.266 520 T C 0.564 175.229 174.700 -0.057 0.000 1.127 520 T CA 0.566 62.614 62.100 -0.085 0.000 1.107 520 T CB -0.536 68.305 68.868 -0.045 0.000 0.910 520 T HN 0.458 nan 8.240 nan 0.000 0.513 521 D N 0.859 121.237 120.400 -0.036 0.000 2.390 521 D HA 0.495 5.135 4.640 -0.001 0.000 0.249 521 D C 1.293 177.575 176.300 -0.029 0.000 1.144 521 D CA 0.284 54.271 54.000 -0.021 0.000 0.880 521 D CB 0.948 41.746 40.800 -0.003 0.000 1.182 521 D HN 0.121 nan 8.370 nan 0.000 0.451 522 A N 2.999 125.804 122.820 -0.025 0.000 1.902 522 A HA -0.159 4.161 4.320 -0.001 0.000 0.217 522 A C 2.110 179.686 177.584 -0.014 0.000 1.181 522 A CA 1.766 53.788 52.037 -0.025 0.000 0.623 522 A CB -0.715 18.273 19.000 -0.020 0.000 0.818 522 A HN 0.683 nan 8.150 nan 0.000 0.443 523 T N -0.661 113.891 114.554 -0.004 0.000 2.821 523 T HA -0.146 4.204 4.350 -0.001 0.000 0.267 523 T C 2.104 176.812 174.700 0.014 0.000 1.046 523 T CA 1.736 63.839 62.100 0.006 0.000 1.139 523 T CB -0.192 68.681 68.868 0.009 0.000 0.871 523 T HN 0.543 nan 8.240 nan 0.000 0.454 524 Q N 0.629 120.437 119.800 0.013 0.000 2.123 524 Q HA 0.070 4.410 4.340 -0.001 0.000 0.199 524 Q C 2.078 178.092 176.000 0.025 0.000 0.966 524 Q CA 1.156 56.976 55.803 0.028 0.000 0.845 524 Q CB -0.412 28.348 28.738 0.035 0.000 0.907 524 Q HN 0.378 nan 8.270 nan 0.000 0.439 525 M N -0.817 118.778 119.600 -0.009 0.000 2.394 525 M HA 0.031 4.511 4.480 -0.001 0.000 0.264 525 M C 1.859 178.160 176.300 0.001 0.000 1.073 525 M CA 1.195 56.475 55.300 -0.033 0.000 1.111 525 M CB -0.341 32.203 32.600 -0.093 0.000 1.401 525 M HN 0.104 nan 8.290 nan 0.000 0.448 526 S N 0.049 115.756 115.700 0.012 0.000 2.368 526 S HA -0.044 4.425 4.470 -0.001 0.000 0.224 526 S C 1.911 176.544 174.600 0.055 0.000 1.029 526 S CA 1.108 59.324 58.200 0.026 0.000 0.988 526 S CB -0.095 63.117 63.200 0.021 0.000 0.838 526 S HN 0.548 nan 8.310 nan 0.000 0.462 527 R N 0.456 120.993 120.500 0.061 0.000 2.092 527 R HA 0.068 4.408 4.340 -0.001 0.000 0.231 527 R C 2.136 178.518 176.300 0.137 0.000 1.119 527 R CA 1.244 57.397 56.100 0.088 0.000 0.970 527 R CB -0.409 29.932 30.300 0.069 0.000 0.864 527 R HN 0.399 nan 8.270 nan 0.000 0.440 528 I N 1.090 121.736 120.570 0.126 0.000 2.202 528 I HA -0.270 3.900 4.170 -0.001 0.000 0.242 528 I C 2.114 178.358 176.117 0.211 0.000 1.091 528 I CA 1.448 62.858 61.300 0.183 0.000 1.368 528 I CB -0.180 37.917 38.000 0.162 0.000 1.058 528 I HN 0.093 nan 8.210 nan 0.000 0.410 529 K N 0.707 121.184 120.400 0.129 0.000 2.148 529 K HA -0.223 4.097 4.320 -0.001 0.000 0.204 529 K C 2.134 178.805 176.600 0.118 0.000 1.050 529 K CA 1.238 57.588 56.287 0.106 0.000 0.942 529 K CB -0.115 32.416 32.500 0.053 0.000 0.724 529 K HN 0.197 nan 8.250 nan 0.000 0.446 530 K N 0.617 121.098 120.400 0.134 0.000 2.062 530 K HA -0.136 4.184 4.320 -0.001 0.000 0.205 530 K C 1.915 178.632 176.600 0.195 0.000 1.051 530 K CA 0.963 57.330 56.287 0.133 0.000 0.941 530 K CB -0.192 32.378 32.500 0.116 0.000 0.719 530 K HN -0.010 nan 8.250 nan 0.000 0.440 531 F N 1.379 121.392 119.950 0.106 0.000 2.134 531 F HA -0.192 4.335 4.527 -0.001 0.000 0.299 531 F C 2.392 178.302 175.800 0.183 0.000 1.097 531 F CA 1.869 59.960 58.000 0.152 0.000 1.264 531 F CB -0.606 38.471 39.000 0.128 0.000 1.001 531 F HN 0.188 nan 8.300 nan 0.000 0.479 532 S N 0.101 115.891 115.700 0.151 0.000 2.453 532 S HA -0.047 4.423 4.470 -0.001 0.000 0.231 532 S C 2.149 176.718 174.600 -0.052 0.000 1.005 532 S CA 0.791 59.007 58.200 0.025 0.000 0.949 532 S CB -0.686 62.582 63.200 0.114 0.000 0.774 532 S HN 0.406 nan 8.310 nan 0.000 0.510 533 A N 0.365 123.182 122.820 -0.005 0.000 1.968 533 A HA 0.072 4.392 4.320 -0.001 0.000 0.217 533 A C 1.948 179.497 177.584 -0.058 0.000 1.169 533 A CA 1.224 53.247 52.037 -0.023 0.000 0.638 533 A CB -1.097 17.913 19.000 0.016 0.000 0.812 533 A HN 0.783 nan 8.150 nan 0.000 0.446 534 Y N 0.832 121.038 120.300 -0.156 0.000 2.089 534 Y HA -0.180 4.370 4.550 -0.001 0.000 0.282 534 Y C 1.855 177.612 175.900 -0.239 0.000 1.139 534 Y CA 1.871 59.855 58.100 -0.193 0.000 1.123 534 Y CB -0.609 37.706 38.460 -0.242 0.000 0.980 534 Y HN 0.184 nan 8.280 nan 0.000 0.493 535 L N 0.310 121.134 121.223 -0.665 0.000 2.013 535 L HA -0.286 4.054 4.340 -0.001 0.000 0.212 535 L C 1.985 178.576 176.870 -0.465 0.000 1.073 535 L CA 1.812 56.251 54.840 -0.668 0.000 0.753 535 L CB -0.710 41.111 42.059 -0.396 0.000 0.890 535 L HN 0.233 nan 8.230 nan 0.000 0.432 536 D N -0.230 119.987 120.400 -0.304 0.000 2.312 536 D HA -0.045 4.594 4.640 -0.001 0.000 0.211 536 D C 1.269 177.438 176.300 -0.218 0.000 0.964 536 D CA 0.588 54.458 54.000 -0.217 0.000 0.877 536 D CB -0.105 40.612 40.800 -0.138 0.000 0.924 536 D HN 0.348 nan 8.370 nan 0.000 0.515 537 S N 0.282 115.822 115.700 -0.267 0.000 2.593 537 S HA 0.034 4.504 4.470 -0.001 0.000 0.269 537 S C 1.372 175.848 174.600 -0.207 0.000 1.334 537 S CA -0.583 57.498 58.200 -0.198 0.000 1.015 537 S CB 2.141 65.249 63.200 -0.153 0.000 0.912 537 S HN -0.109 nan 8.310 nan 0.000 0.541 538 E N 1.903 122.019 120.200 -0.141 0.000 2.114 538 E HA -0.239 4.111 4.350 -0.001 0.000 0.199 538 E C 0.899 177.411 176.600 -0.147 0.000 1.008 538 E CA 2.017 58.341 56.400 -0.127 0.000 0.810 538 E CB -0.229 29.419 29.700 -0.088 0.000 0.739 538 E HN 0.745 nan 8.360 nan 0.000 0.456 539 N N 0.082 118.700 118.700 -0.136 0.000 2.214 539 N HA 0.047 4.787 4.740 -0.001 0.000 0.214 539 N C -0.369 175.060 175.510 -0.135 0.000 1.132 539 N CA 0.526 53.504 53.050 -0.120 0.000 0.856 539 N CB 0.525 38.982 38.487 -0.051 0.000 1.020 539 N HN 0.174 nan 8.380 nan 0.000 0.509 540 S N -0.089 115.439 115.700 -0.287 0.000 2.596 540 S HA 0.050 4.520 4.470 -0.001 0.000 0.260 540 S C 1.970 176.440 174.600 -0.217 0.000 1.336 540 S CA -0.390 57.537 58.200 -0.454 0.000 0.993 540 S CB 0.848 63.408 63.200 -1.067 0.000 0.923 540 S HN 0.010 nan 8.310 nan 0.000 0.567 541 V N -0.400 119.488 119.914 -0.043 0.000 2.594 541 V HA -0.091 4.029 4.120 -0.001 0.000 0.253 541 V C 2.054 178.099 176.094 -0.082 0.000 1.069 541 V CA 1.119 63.446 62.300 0.044 0.000 1.082 541 V CB -1.254 30.593 31.823 0.041 0.000 0.680 541 V HN 0.794 nan 8.190 nan 0.000 0.469 542 I N 1.312 121.771 120.570 -0.184 0.000 2.233 542 I HA -0.114 4.056 4.170 -0.001 0.000 0.243 542 I C 2.736 178.746 176.117 -0.179 0.000 1.093 542 I CA 1.849 63.045 61.300 -0.173 0.000 1.380 542 I CB -1.606 36.276 38.000 -0.197 0.000 1.067 542 I HN 0.345 nan 8.210 nan 0.000 0.413 543 S N 0.944 116.506 115.700 -0.230 0.000 2.402 543 S HA -0.088 4.382 4.470 -0.001 0.000 0.229 543 S C 2.021 176.481 174.600 -0.232 0.000 1.021 543 S CA 0.952 59.025 58.200 -0.211 0.000 0.974 543 S CB -0.271 62.797 63.200 -0.219 0.000 0.800 543 S HN 0.266 nan 8.310 nan 0.000 0.484 544 L N -0.382 120.639 121.223 -0.336 0.000 2.127 544 L HA 0.099 4.439 4.340 -0.001 0.000 0.203 544 L C 1.372 177.891 176.870 -0.584 0.000 1.080 544 L CA 1.389 55.914 54.840 -0.526 0.000 0.768 544 L CB -0.196 41.363 42.059 -0.833 0.000 0.924 544 L HN 0.272 nan 8.230 nan 0.000 0.444 545 Y N -1.785 118.448 120.300 -0.111 0.000 2.457 545 Y HA 0.187 4.737 4.550 -0.001 0.000 0.263 545 Y C 1.012 176.865 175.900 -0.079 0.000 1.164 545 Y CA -0.153 57.888 58.100 -0.098 0.000 1.274 545 Y CB -0.383 37.987 38.460 -0.150 0.000 1.097 545 Y HN 0.045 nan 8.280 nan 0.000 0.523 546 T N 0.083 114.636 114.554 -0.003 0.000 2.795 546 T HA 0.445 4.795 4.350 -0.001 0.000 0.282 546 T C -2.896 171.787 174.700 -0.027 0.000 0.980 546 T CA -2.741 59.354 62.100 -0.008 0.000 1.012 546 T CB 1.824 70.671 68.868 -0.034 0.000 0.936 546 T HN -0.239 nan 8.240 nan 0.000 0.457 547 P HA 0.136 nan 4.420 nan 0.000 0.269 547 P C -0.277 177.004 177.300 -0.031 0.000 1.215 547 P CA -0.457 62.635 63.100 -0.013 0.000 0.780 547 P CB 0.400 32.102 31.700 0.003 0.000 0.898 548 K N 2.015 122.394 120.400 -0.034 0.000 2.489 548 K HA 0.029 4.349 4.320 -0.001 0.000 0.278 548 K C 0.095 176.674 176.600 -0.034 0.000 1.000 548 K CA -0.002 56.261 56.287 -0.040 0.000 1.012 548 K CB -0.221 32.257 32.500 -0.037 0.000 0.903 548 K HN 0.328 nan 8.250 nan 0.000 0.485 549 V N 0.501 120.391 119.914 -0.041 0.000 3.078 549 V HA -0.290 3.830 4.120 -0.001 0.000 0.168 549 V C 0.390 176.460 176.094 -0.040 0.000 0.466 549 V CA 1.456 63.730 62.300 -0.043 0.000 1.138 549 V CB -2.602 29.199 31.823 -0.037 0.000 1.308 549 V HN 0.769 nan 8.190 nan 0.000 1.101 550 S N -0.247 115.430 115.700 -0.039 0.000 2.646 550 S HA 0.377 4.847 4.470 -0.001 0.000 0.276 550 S C 0.051 174.622 174.600 -0.048 0.000 1.222 550 S CA -0.328 57.852 58.200 -0.033 0.000 1.014 550 S CB 1.559 64.747 63.200 -0.020 0.000 0.991 550 S HN 0.612 nan 8.310 nan 0.000 0.533 551 D N 1.291 121.663 120.400 -0.045 0.000 2.455 551 D HA 0.032 4.671 4.640 -0.001 0.000 0.241 551 D C 0.775 177.035 176.300 -0.065 0.000 1.138 551 D CA 0.118 54.080 54.000 -0.063 0.000 0.877 551 D CB 0.536 41.309 40.800 -0.045 0.000 1.187 551 D HN 0.552 nan 8.370 nan 0.000 0.451 552 R N 2.456 122.896 120.500 -0.100 0.000 2.339 552 R HA 0.005 4.345 4.340 -0.001 0.000 0.199 552 R C 0.665 176.916 176.300 -0.081 0.000 1.018 552 R CA 0.311 56.350 56.100 -0.102 0.000 1.036 552 R CB 0.194 30.413 30.300 -0.136 0.000 0.899 552 R HN 0.361 nan 8.270 nan 0.000 0.473 553 N N -0.663 118.008 118.700 -0.049 0.000 2.204 553 N HA -0.013 4.727 4.740 -0.001 0.000 0.219 553 N C 0.723 176.266 175.510 0.055 0.000 1.151 553 N CA 0.255 53.324 53.050 0.032 0.000 0.867 553 N CB 1.103 39.666 38.487 0.127 0.000 1.043 553 N HN 0.131 nan 8.380 nan 0.000 0.516 554 S N -0.568 115.144 115.700 0.020 0.000 2.562 554 S HA 0.196 4.665 4.470 -0.001 0.000 0.221 554 S C 1.571 176.190 174.600 0.032 0.000 0.975 554 S CA 0.235 58.449 58.200 0.023 0.000 0.918 554 S CB 0.466 63.672 63.200 0.009 0.000 0.772 554 S HN 0.071 nan 8.310 nan 0.000 0.531 555 R N 0.088 120.610 120.500 0.036 0.000 2.302 555 R HA 0.506 4.845 4.340 -0.001 0.000 0.187 555 R C -0.036 176.311 176.300 0.078 0.000 0.904 555 R CA 0.326 56.464 56.100 0.063 0.000 1.105 555 R CB 0.103 30.439 30.300 0.060 0.000 1.239 555 R HN 0.382 nan 8.270 nan 0.000 0.620 556 I N 2.230 122.813 120.570 0.021 0.000 2.382 556 I HA 0.176 4.346 4.170 -0.001 0.000 0.286 556 I C -0.891 175.255 176.117 0.049 0.000 1.002 556 I CA -0.820 60.488 61.300 0.014 0.000 1.135 556 I CB 2.080 39.972 38.000 -0.180 0.000 1.288 556 I HN -0.160 nan 8.210 nan 0.000 0.448 557 D N 6.621 127.077 120.400 0.094 0.000 2.359 557 D HA 0.289 4.928 4.640 -0.001 0.000 0.230 557 D C -0.804 175.587 176.300 0.152 0.000 1.118 557 D CA -0.167 53.912 54.000 0.131 0.000 0.844 557 D CB 1.463 42.318 40.800 0.091 0.000 1.059 557 D HN 0.082 nan 8.370 nan 0.000 0.493 558 V N 6.026 126.058 119.914 0.197 0.000 2.318 558 V HA 0.367 4.487 4.120 -0.001 0.000 0.271 558 V C 0.435 176.697 176.094 0.281 0.000 1.030 558 V CA -0.572 61.840 62.300 0.188 0.000 0.844 558 V CB 0.604 32.512 31.823 0.141 0.000 1.015 558 V HN 0.440 nan 8.190 nan 0.000 0.460 559 I N 3.706 124.393 120.570 0.194 0.000 2.441 559 I HA 0.475 4.645 4.170 -0.001 0.000 0.295 559 I C 0.221 176.381 176.117 0.072 0.000 0.994 559 I CA -0.173 61.259 61.300 0.220 0.000 1.144 559 I CB 2.276 40.395 38.000 0.199 0.000 1.314 559 I HN 0.425 nan 8.210 nan 0.000 0.445 560 T N 6.759 121.380 114.554 0.111 0.000 2.770 560 T HA 0.593 4.943 4.350 -0.001 0.000 0.283 560 T C -0.194 174.490 174.700 -0.027 0.000 0.988 560 T CA -0.275 61.810 62.100 -0.024 0.000 0.957 560 T CB 0.658 69.474 68.868 -0.087 0.000 0.930 560 T HN 0.264 nan 8.240 nan 0.000 0.443 561 I N 4.855 125.320 120.570 -0.175 0.000 2.390 561 I HA 0.348 4.517 4.170 -0.001 0.000 0.283 561 I C 0.261 176.481 176.117 0.173 0.000 1.016 561 I CA -0.945 60.288 61.300 -0.111 0.000 1.151 561 I CB 0.775 38.527 38.000 -0.414 0.000 1.293 561 I HN 0.779 nan 8.210 nan 0.000 0.458 562 H N 2.438 121.633 119.070 0.208 0.000 2.570 562 H HA 0.507 5.062 4.556 -0.001 0.000 0.342 562 H C 0.156 175.595 175.328 0.185 0.000 1.245 562 H CA -0.957 55.261 56.048 0.284 0.000 1.318 562 H CB 1.133 31.084 29.762 0.315 0.000 1.694 562 H HN 0.285 nan 8.280 nan 0.000 0.592 563 S N -0.439 115.369 115.700 0.180 0.000 2.540 563 S HA 0.184 4.653 4.470 -0.001 0.000 0.218 563 S C -0.067 174.616 174.600 0.139 0.000 0.977 563 S CA -0.276 57.867 58.200 -0.096 0.000 0.918 563 S CB -0.261 62.747 63.200 -0.321 0.000 0.806 563 S HN 0.560 nan 8.310 nan 0.000 0.496 564 C N 1.818 121.390 119.300 0.454 0.000 2.362 564 C HA 0.408 4.868 4.460 -0.001 0.000 0.363 564 C C 0.721 175.896 174.990 0.309 0.000 1.220 564 C CA -1.151 58.065 59.018 0.331 0.000 2.379 564 C CB 0.085 27.980 27.740 0.257 0.000 2.351 564 C HN 0.497 nan 8.230 nan 0.000 0.582 565 H N 1.402 120.549 119.070 0.129 0.000 2.615 565 H HA 0.126 4.681 4.556 -0.001 0.000 0.363 565 H C 1.192 176.550 175.328 0.049 0.000 1.148 565 H CA 0.285 56.356 56.048 0.037 0.000 1.401 565 H CB 0.695 30.453 29.762 -0.007 0.000 1.461 565 H HN 0.749 nan 8.280 nan 0.000 0.588 566 R N 1.868 122.157 120.500 -0.353 0.000 2.316 566 R HA -0.037 4.303 4.340 -0.001 0.000 0.202 566 R C -0.000 176.348 176.300 0.081 0.000 1.029 566 R CA 0.833 56.763 56.100 -0.282 0.000 1.018 566 R CB 0.212 30.015 30.300 -0.827 0.000 0.888 566 R HN 0.408 nan 8.270 nan 0.000 0.471 567 D N 1.289 121.926 120.400 0.395 0.000 2.323 567 D HA -0.058 4.582 4.640 -0.001 0.000 0.209 567 D C 0.583 176.967 176.300 0.140 0.000 0.973 567 D CA 0.778 54.911 54.000 0.221 0.000 0.874 567 D CB 0.074 40.946 40.800 0.120 0.000 0.930 567 D HN 0.263 nan 8.370 nan 0.000 0.521 568 D N -0.211 120.282 120.400 0.154 0.000 2.360 568 D HA 0.180 4.819 4.640 -0.001 0.000 0.210 568 D C 0.630 176.961 176.300 0.051 0.000 1.047 568 D CA 0.062 54.113 54.000 0.085 0.000 0.854 568 D CB 1.612 42.464 40.800 0.086 0.000 0.936 568 D HN 0.226 nan 8.370 nan 0.000 0.514 569 I N 0.457 121.077 120.570 0.083 0.000 2.787 569 I HA 0.092 4.262 4.170 -0.001 0.000 0.294 569 I C -1.341 174.805 176.117 0.049 0.000 1.365 569 I CA -0.637 60.658 61.300 -0.008 0.000 1.029 569 I CB 2.239 40.174 38.000 -0.108 0.000 1.313 569 I HN -0.373 nan 8.210 nan 0.000 0.431 570 E N 6.151 126.251 120.200 -0.168 0.000 2.250 570 E HA 0.347 4.697 4.350 -0.001 0.000 0.265 570 E C 0.417 176.750 176.600 -0.444 0.000 1.033 570 E CA -0.658 55.559 56.400 -0.306 0.000 0.888 570 E CB 1.596 30.860 29.700 -0.727 0.000 1.151 570 E HN 0.655 nan 8.360 nan 0.000 0.412 571 M N 0.843 120.112 119.600 -0.551 0.000 2.149 571 M HA -0.172 4.308 4.480 -0.001 0.000 0.261 571 M C 1.765 177.714 176.300 -0.585 0.000 1.064 571 M CA 1.507 56.435 55.300 -0.620 0.000 1.102 571 M CB -0.483 31.729 32.600 -0.647 0.000 1.369 571 M HN 0.512 nan 8.290 nan 0.000 0.408 572 H N -1.529 117.343 119.070 -0.330 0.000 2.562 572 H HA 0.041 4.596 4.556 -0.001 0.000 0.272 572 H C 0.120 175.381 175.328 -0.110 0.000 1.019 572 H CA 0.348 56.300 56.048 -0.160 0.000 1.160 572 H CB -0.464 29.231 29.762 -0.112 0.000 1.334 572 H HN 0.365 nan 8.280 nan 0.000 0.611 573 D N 0.499 120.773 120.400 -0.209 0.000 2.339 573 D HA 0.072 4.712 4.640 -0.001 0.000 0.217 573 D C -0.242 175.866 176.300 -0.319 0.000 1.050 573 D CA 0.103 53.959 54.000 -0.240 0.000 0.856 573 D CB 0.057 40.624 40.800 -0.389 0.000 0.922 573 D HN 0.232 nan 8.370 nan 0.000 0.518 574 F N 0.738 120.609 119.950 -0.130 0.000 2.432 574 F HA 0.339 4.866 4.527 -0.001 0.000 0.329 574 F C -1.825 173.982 175.800 0.011 0.000 1.076 574 F CA -2.692 55.276 58.000 -0.053 0.000 1.018 574 F CB 0.719 39.683 39.000 -0.060 0.000 1.201 574 F HN -0.351 nan 8.300 nan 0.000 0.489 575 P HA 0.106 nan 4.420 nan 0.000 0.261 575 P C -1.221 176.173 177.300 0.156 0.000 1.183 575 P CA 0.158 63.337 63.100 0.131 0.000 0.761 575 P CB 0.261 32.035 31.700 0.123 0.000 0.785 576 A N 5.969 128.851 122.820 0.104 0.000 2.318 576 A HA 0.582 4.902 4.320 -0.001 0.000 0.317 576 A C -1.948 175.675 177.584 0.064 0.000 1.159 576 A CA -1.345 50.761 52.037 0.115 0.000 0.799 576 A CB 1.185 20.167 19.000 -0.030 0.000 1.194 576 A HN 0.374 nan 8.150 nan 0.000 0.479 577 P HA 0.193 nan 4.420 nan 0.000 0.266 577 P C 1.063 178.335 177.300 -0.047 0.000 1.381 577 P CA 0.616 63.741 63.100 0.042 0.000 0.940 577 P CB 0.745 32.408 31.700 -0.062 0.000 1.435 578 A N 1.058 123.865 122.820 -0.021 0.000 1.892 578 A HA -0.129 4.191 4.320 -0.001 0.000 0.218 578 A C 2.059 179.634 177.584 -0.015 0.000 1.188 578 A CA 1.588 53.601 52.037 -0.040 0.000 0.631 578 A CB -1.152 17.841 19.000 -0.011 0.000 0.822 578 A HN 0.240 nan 8.150 nan 0.000 0.447 579 L N -3.067 118.198 121.223 0.069 0.000 2.672 579 L HA 0.174 4.514 4.340 -0.001 0.000 0.236 579 L C 0.735 177.680 176.870 0.125 0.000 1.092 579 L CA 0.043 54.944 54.840 0.103 0.000 0.887 579 L CB 0.253 42.422 42.059 0.183 0.000 1.168 579 L HN 0.514 nan 8.230 nan 0.000 0.502 580 H N 1.546 120.638 119.070 0.037 0.000 2.530 580 H HA 0.380 4.936 4.556 -0.001 0.000 0.246 580 H C -2.724 172.702 175.328 0.162 0.000 1.346 580 H CA -2.769 53.343 56.048 0.107 0.000 1.424 580 H CB 0.781 30.651 29.762 0.180 0.000 1.445 580 H HN -0.139 nan 8.280 nan 0.000 0.511 581 P HA 0.046 nan 4.420 nan 0.000 0.272 581 P C -0.418 176.396 177.300 -0.811 0.000 1.223 581 P CA -0.345 62.456 63.100 -0.498 0.000 0.784 581 P CB 0.725 31.941 31.700 -0.807 0.000 0.923 582 K N 3.395 123.085 120.400 -1.183 0.000 2.419 582 K HA -0.054 4.266 4.320 -0.001 0.000 0.282 582 K C -0.217 175.424 176.600 -1.599 0.000 1.056 582 K CA 0.060 54.990 56.287 -2.263 0.000 1.035 582 K CB -0.342 31.097 32.500 -1.769 0.000 0.921 582 K HN 0.432 nan 8.250 nan 0.000 0.472 583 W N 1.522 121.691 121.300 -1.886 0.000 5.121 583 W HA -0.261 4.399 4.660 -0.001 0.000 0.372 583 W C -0.722 175.383 176.519 -0.689 0.000 1.394 583 W CA 0.419 57.210 57.345 -0.924 0.000 0.885 583 W CB -2.533 26.664 29.460 -0.438 0.000 2.520 583 W HN 0.630 nan 8.180 nan 0.000 1.455 584 Q N -0.826 118.519 119.800 -0.758 0.000 2.323 584 Q HA 0.452 4.792 4.340 -0.001 0.000 0.271 584 Q C -0.301 175.461 176.000 -0.395 0.000 1.048 584 Q CA -0.725 54.880 55.803 -0.330 0.000 0.792 584 Q CB 1.312 30.060 28.738 0.017 0.000 1.280 584 Q HN 0.078 nan 8.270 nan 0.000 0.441 585 Y N -0.011 120.434 120.300 0.241 0.000 2.719 585 Y HA 0.227 4.777 4.550 -0.001 0.000 0.251 585 Y C -0.146 175.781 175.900 0.046 0.000 1.159 585 Y CA -0.341 57.879 58.100 0.199 0.000 1.166 585 Y CB 1.048 39.609 38.460 0.169 0.000 1.219 585 Y HN 0.561 nan 8.280 nan 0.000 0.551 586 D N -0.285 120.119 120.400 0.007 0.000 2.772 586 D HA 0.200 4.840 4.640 -0.001 0.000 0.272 586 D C 0.206 176.175 176.300 -0.553 0.000 1.314 586 D CA 0.345 54.200 54.000 -0.241 0.000 0.835 586 D CB 0.032 40.657 40.800 -0.290 0.000 1.080 586 D HN 0.298 nan 8.370 nan 0.000 0.482 587 F N -0.210 119.750 119.950 0.018 0.000 2.699 587 F HA 0.328 4.855 4.527 -0.001 0.000 0.295 587 F C 0.925 176.739 175.800 0.023 0.000 1.052 587 F CA -0.009 58.051 58.000 0.100 0.000 1.239 587 F CB 1.086 40.123 39.000 0.062 0.000 1.018 587 F HN -0.172 nan 8.300 nan 0.000 0.627 588 I N 0.589 121.104 120.570 -0.092 0.000 2.355 588 I HA 0.264 4.433 4.170 -0.001 0.000 0.288 588 I C -1.210 174.672 176.117 -0.392 0.000 0.999 588 I CA -0.609 60.575 61.300 -0.193 0.000 1.163 588 I CB 0.791 38.627 38.000 -0.274 0.000 1.316 588 I HN -0.089 nan 8.210 nan 0.000 0.454 589 Y N 4.362 124.669 120.300 0.011 0.000 2.587 589 Y HA 0.821 5.371 4.550 -0.001 0.000 0.337 589 Y C 0.190 175.954 175.900 -0.226 0.000 1.065 589 Y CA -1.006 57.081 58.100 -0.022 0.000 1.126 589 Y CB 1.944 40.412 38.460 0.013 0.000 1.279 589 Y HN 0.511 nan 8.280 nan 0.000 0.489 590 A N 0.709 123.453 122.820 -0.127 0.000 2.393 590 A HA 0.469 4.789 4.320 -0.001 0.000 0.306 590 A C -1.607 175.856 177.584 -0.203 0.000 1.050 590 A CA -0.709 51.068 52.037 -0.433 0.000 0.724 590 A CB 1.078 19.786 19.000 -0.487 0.000 1.248 590 A HN 0.664 nan 8.150 nan 0.000 0.424 591 D N 1.550 121.859 120.400 -0.151 0.000 2.522 591 D HA 0.444 5.084 4.640 -0.001 0.000 0.218 591 D C -0.071 175.973 176.300 -0.427 0.000 1.149 591 D CA 0.169 54.084 54.000 -0.140 0.000 0.981 591 D CB -0.199 40.666 40.800 0.108 0.000 1.041 591 D HN 0.751 nan 8.370 nan 0.000 0.518 592 C N 1.482 120.497 119.300 -0.475 0.000 3.340 592 C HA 0.726 5.186 4.460 -0.001 0.000 0.333 592 C C -0.140 174.664 174.990 -0.309 0.000 1.464 592 C CA -1.142 57.615 59.018 -0.435 0.000 1.337 592 C CB 0.900 28.480 27.740 -0.267 0.000 1.740 592 C HN 0.476 nan 8.230 nan 0.000 0.450 593 D N 0.876 121.229 120.400 -0.080 0.000 2.341 593 D HA 0.599 5.239 4.640 -0.001 0.000 0.245 593 D C 0.267 176.507 176.300 -0.101 0.000 1.106 593 D CA 0.407 54.417 54.000 0.018 0.000 0.905 593 D CB 1.137 42.020 40.800 0.139 0.000 1.202 593 D HN 1.071 nan 8.370 nan 0.000 0.426 594 S N 1.423 117.071 115.700 -0.088 0.000 2.794 594 S HA 0.290 4.760 4.470 -0.001 0.000 0.299 594 S C 0.391 174.858 174.600 -0.222 0.000 1.179 594 S CA -1.040 57.016 58.200 -0.240 0.000 0.838 594 S CB 0.180 63.350 63.200 -0.050 0.000 1.206 594 S HN 0.708 nan 8.310 nan 0.000 0.523 595 W N 0.419 121.665 121.300 -0.089 0.000 2.338 595 W HA -0.029 4.631 4.660 -0.001 0.000 0.304 595 W C 1.801 177.991 176.519 -0.548 0.000 1.212 595 W CA 1.274 58.407 57.345 -0.354 0.000 1.264 595 W CB -0.395 28.734 29.460 -0.552 0.000 1.142 595 W HN 0.802 nan 8.180 nan 0.000 0.512 596 H N -3.811 115.323 119.070 0.107 0.000 2.755 596 H HA 0.219 4.775 4.556 -0.001 0.000 0.273 596 H C -0.080 174.937 175.328 -0.518 0.000 1.055 596 H CA 0.220 56.163 56.048 -0.175 0.000 1.191 596 H CB 0.148 29.785 29.762 -0.209 0.000 1.536 596 H HN -0.036 nan 8.280 nan 0.000 0.529 597 H N -0.288 118.676 119.070 -0.176 0.000 2.961 597 H HA 0.213 4.769 4.556 -0.001 0.000 0.371 597 H C -2.543 172.709 175.328 -0.127 0.000 1.190 597 H CA -1.850 54.019 56.048 -0.299 0.000 1.138 597 H CB 2.542 31.839 29.762 -0.776 0.000 1.816 597 H HN 0.057 nan 8.280 nan 0.000 0.551 598 P HA -0.009 nan 4.420 nan 0.000 0.279 598 P C 0.061 177.454 177.300 0.155 0.000 1.282 598 P CA -0.336 62.816 63.100 0.086 0.000 0.788 598 P CB 0.885 32.630 31.700 0.074 0.000 1.139 599 H N 1.970 121.077 119.070 0.061 0.000 3.107 599 H HA 0.019 4.575 4.556 -0.001 0.000 0.301 599 H C -1.349 174.029 175.328 0.082 0.000 0.981 599 H CA -0.968 55.121 56.048 0.069 0.000 1.443 599 H CB 0.237 30.025 29.762 0.043 0.000 1.479 599 H HN 0.180 nan 8.280 nan 0.000 0.564 600 P HA -0.071 nan 4.420 nan 0.000 0.229 600 P C -0.092 177.318 177.300 0.183 0.000 1.160 600 P CA 0.404 63.605 63.100 0.169 0.000 0.777 600 P CB 0.351 32.102 31.700 0.086 0.000 0.814 601 K N -0.617 120.035 120.400 0.419 0.000 3.150 601 K HA -0.099 4.221 4.320 -0.001 0.000 0.267 601 K C 0.915 177.592 176.600 0.128 0.000 1.028 601 K CA 0.423 56.886 56.287 0.294 0.000 0.753 601 K CB -2.871 29.706 32.500 0.129 0.000 1.288 601 K HN 0.174 nan 8.250 nan 0.000 0.473 602 S N -0.781 114.987 115.700 0.114 0.000 2.395 602 S HA -0.017 4.452 4.470 -0.001 0.000 0.225 602 S C 1.429 176.125 174.600 0.160 0.000 1.027 602 S CA 0.554 58.694 58.200 -0.099 0.000 0.965 602 S CB -0.139 62.908 63.200 -0.254 0.000 0.812 602 S HN 0.433 nan 8.310 nan 0.000 0.482 603 Y N 2.743 123.178 120.300 0.224 0.000 2.165 603 Y HA -0.195 4.354 4.550 -0.001 0.000 0.286 603 Y C 2.584 178.540 175.900 0.094 0.000 1.155 603 Y CA 1.233 59.473 58.100 0.232 0.000 1.164 603 Y CB -0.657 37.906 38.460 0.170 0.000 0.978 603 Y HN 0.377 nan 8.280 nan 0.000 0.513 604 Q N -0.952 118.975 119.800 0.212 0.000 2.119 604 Q HA -0.137 4.203 4.340 -0.001 0.000 0.201 604 Q C 2.534 178.543 176.000 0.015 0.000 0.972 604 Q CA 1.254 57.108 55.803 0.085 0.000 0.847 604 Q CB -0.418 28.351 28.738 0.050 0.000 0.903 604 Q HN 0.479 nan 8.270 nan 0.000 0.433 605 A N 0.425 123.216 122.820 -0.048 0.000 1.969 605 A HA -0.145 4.175 4.320 -0.001 0.000 0.218 605 A C 1.412 178.913 177.584 -0.139 0.000 1.169 605 A CA 0.776 52.718 52.037 -0.159 0.000 0.635 605 A CB -0.584 18.237 19.000 -0.298 0.000 0.810 605 A HN 0.475 nan 8.150 nan 0.000 0.445 606 W N -0.796 120.412 121.300 -0.154 0.000 3.047 606 W HA 0.286 4.946 4.660 -0.001 0.000 0.250 606 W C 1.466 177.830 176.519 -0.258 0.000 1.314 606 W CA 0.671 57.861 57.345 -0.258 0.000 1.540 606 W CB -0.720 28.527 29.460 -0.354 0.000 1.127 606 W HN 0.590 nan 8.180 nan 0.000 0.679 607 G N 1.368 110.176 108.800 0.013 0.000 2.225 607 G HA2 -0.219 3.741 3.960 -0.001 0.000 0.264 607 G HA3 -0.219 3.741 3.960 -0.001 0.000 0.264 607 G C -0.467 174.380 174.900 -0.088 0.000 1.060 607 G CA 0.173 45.254 45.100 -0.032 0.000 0.833 607 G HN -0.001 nan 8.290 nan 0.000 0.498 608 V N -0.155 119.686 119.914 -0.123 0.000 2.513 608 V HA 0.479 4.598 4.120 -0.001 0.000 0.299 608 V C 0.419 176.535 176.094 0.037 0.000 1.035 608 V CA -0.631 61.541 62.300 -0.213 0.000 0.889 608 V CB 1.941 33.332 31.823 -0.721 0.000 0.988 608 V HN 0.453 nan 8.190 nan 0.000 0.440 609 D N 2.466 122.895 120.400 0.048 0.000 2.458 609 D HA 0.049 4.688 4.640 -0.001 0.000 0.243 609 D C 1.102 177.551 176.300 0.248 0.000 1.146 609 D CA 0.301 54.369 54.000 0.114 0.000 0.877 609 D CB 0.956 41.791 40.800 0.059 0.000 1.176 609 D HN 0.649 nan 8.370 nan 0.000 0.461 610 E N 1.561 121.860 120.200 0.166 0.000 2.268 610 E HA -0.103 4.246 4.350 -0.001 0.000 0.195 610 E C 1.152 177.748 176.600 -0.006 0.000 0.995 610 E CA 0.867 57.273 56.400 0.010 0.000 0.836 610 E CB 0.266 29.929 29.700 -0.062 0.000 0.763 610 E HN 0.510 nan 8.360 nan 0.000 0.491 611 T N 0.277 114.863 114.554 0.053 0.000 3.004 611 T HA 0.035 4.385 4.350 -0.001 0.000 0.243 611 T C 1.665 176.417 174.700 0.086 0.000 1.020 611 T CA 0.510 62.639 62.100 0.049 0.000 1.145 611 T CB 0.142 69.029 68.868 0.033 0.000 0.876 611 T HN -0.035 nan 8.240 nan 0.000 0.449 612 K N 0.386 120.842 120.400 0.092 0.000 2.186 612 K HA 0.318 4.638 4.320 -0.001 0.000 0.202 612 K C 1.412 178.085 176.600 0.121 0.000 1.052 612 K CA 0.513 56.852 56.287 0.086 0.000 0.965 612 K CB -0.023 32.508 32.500 0.053 0.000 0.746 612 K HN 0.413 nan 8.250 nan 0.000 0.457 613 G N 0.824 109.735 108.800 0.185 0.000 2.525 613 G HA2 -0.054 3.906 3.960 -0.001 0.000 0.248 613 G HA3 -0.054 3.906 3.960 -0.001 0.000 0.248 613 G C -0.434 174.494 174.900 0.046 0.000 1.238 613 G CA -0.401 44.829 45.100 0.217 0.000 0.926 613 G HN 0.677 nan 8.290 nan 0.000 0.574 614 A N -3.512 119.337 122.820 0.049 0.000 2.441 614 A HA 0.724 5.044 4.320 -0.001 0.000 0.295 614 A C -1.210 176.388 177.584 0.023 0.000 0.992 614 A CA 0.475 52.501 52.037 -0.018 0.000 0.603 614 A CB 0.619 19.545 19.000 -0.124 0.000 1.385 614 A HN 2.149 nan 8.150 nan 0.000 0.470 615 V N 0.594 120.489 119.914 -0.032 0.000 2.482 615 V HA 0.591 4.711 4.120 -0.001 0.000 0.295 615 V C -0.733 175.354 176.094 -0.012 0.000 1.026 615 V CA -0.528 61.730 62.300 -0.070 0.000 0.856 615 V CB 1.376 33.083 31.823 -0.193 0.000 1.001 615 V HN 0.903 nan 8.190 nan 0.000 0.424 616 V N 5.453 125.371 119.914 0.007 0.000 2.448 616 V HA 0.507 4.627 4.120 -0.001 0.000 0.295 616 V C -0.162 175.892 176.094 -0.067 0.000 1.025 616 V CA -0.708 61.589 62.300 -0.006 0.000 0.859 616 V CB 2.111 33.990 31.823 0.092 0.000 0.988 616 V HN 0.586 nan 8.190 nan 0.000 0.431 617 V N 5.617 125.486 119.914 -0.074 0.000 2.407 617 V HA 0.485 4.604 4.120 -0.001 0.000 0.278 617 V C -0.123 175.935 176.094 -0.060 0.000 1.037 617 V CA -0.410 61.858 62.300 -0.054 0.000 0.900 617 V CB 1.779 33.501 31.823 -0.168 0.000 0.983 617 V HN 0.626 nan 8.190 nan 0.000 0.459 618 V N 5.812 125.715 119.914 -0.018 0.000 2.495 618 V HA 0.488 4.608 4.120 -0.001 0.000 0.298 618 V C 0.344 176.443 176.094 0.008 0.000 1.031 618 V CA -0.982 61.292 62.300 -0.043 0.000 0.871 618 V CB 1.820 33.506 31.823 -0.228 0.000 0.988 618 V HN 0.843 nan 8.190 nan 0.000 0.432 619 R N 4.316 124.778 120.500 -0.063 0.000 2.801 619 R HA 0.166 4.506 4.340 -0.001 0.000 0.273 619 R C -1.583 174.251 176.300 -0.777 0.000 1.080 619 R CA -1.043 54.753 56.100 -0.507 0.000 1.197 619 R CB 0.080 30.155 30.300 -0.375 0.000 1.109 619 R HN 0.425 nan 8.270 nan 0.000 0.535 620 P HA -0.160 nan 4.420 nan 0.000 0.218 620 P C 0.332 177.178 177.300 -0.757 0.000 1.148 620 P CA 1.227 63.692 63.100 -1.059 0.000 0.822 620 P CB 0.167 31.114 31.700 -1.255 0.000 0.784 621 D N -1.470 118.433 120.400 -0.829 0.000 2.310 621 D HA -0.038 4.602 4.640 -0.001 0.000 0.212 621 D C 1.568 177.961 176.300 0.156 0.000 0.965 621 D CA 1.458 55.288 54.000 -0.282 0.000 0.879 621 D CB -0.691 40.057 40.800 -0.086 0.000 0.921 621 D HN 0.136 nan 8.370 nan 0.000 0.510 622 G N -0.827 107.967 108.800 -0.010 0.000 2.143 622 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.249 622 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.249 622 G C -0.134 174.777 174.900 0.018 0.000 0.981 622 G CA 0.131 45.248 45.100 0.029 0.000 0.665 622 G HN 0.318 nan 8.290 nan 0.000 0.528 623 Y N 1.151 121.490 120.300 0.065 0.000 2.330 623 Y HA 0.554 5.103 4.550 -0.001 0.000 0.336 623 Y C 1.272 177.238 175.900 0.110 0.000 1.036 623 Y CA -0.273 57.903 58.100 0.127 0.000 1.125 623 Y CB 1.446 40.034 38.460 0.213 0.000 1.194 623 Y HN 0.057 nan 8.280 nan 0.000 0.469 624 T N 2.120 116.816 114.554 0.236 0.000 2.888 624 T HA 0.118 4.467 4.350 -0.001 0.000 0.301 624 T C 0.783 175.560 174.700 0.129 0.000 1.001 624 T CA 0.292 62.492 62.100 0.167 0.000 1.147 624 T CB 0.363 69.344 68.868 0.188 0.000 0.931 624 T HN 0.807 nan 8.240 nan 0.000 0.541 625 S N 1.916 117.623 115.700 0.011 0.000 2.687 625 S HA 0.414 4.884 4.470 -0.001 0.000 0.247 625 S C -0.209 174.216 174.600 -0.291 0.000 1.050 625 S CA -0.571 57.591 58.200 -0.065 0.000 1.063 625 S CB 0.109 63.295 63.200 -0.022 0.000 1.039 625 S HN 0.455 nan 8.310 nan 0.000 0.580 626 L N 1.030 122.083 121.223 -0.284 0.000 2.611 626 L HA 0.674 5.014 4.340 -0.001 0.000 0.260 626 L C -2.147 174.639 176.870 -0.140 0.000 0.924 626 L CA -0.366 54.307 54.840 -0.277 0.000 0.901 626 L CB 2.134 43.889 42.059 -0.506 0.000 1.369 626 L HN 0.001 nan 8.230 nan 0.000 0.415 627 V N 3.970 123.832 119.914 -0.087 0.000 2.483 627 V HA 0.858 4.978 4.120 -0.001 0.000 0.297 627 V C -0.226 175.840 176.094 -0.047 0.000 1.027 627 V CA 0.098 62.366 62.300 -0.054 0.000 0.855 627 V CB 1.795 33.594 31.823 -0.040 0.000 0.995 627 V HN 0.982 nan 8.190 nan 0.000 0.424 628 T N 1.685 116.214 114.554 -0.043 0.000 2.590 628 T HA 0.639 4.989 4.350 -0.001 0.000 0.282 628 T C -1.238 173.436 174.700 -0.044 0.000 0.989 628 T CA -0.883 61.196 62.100 -0.034 0.000 1.091 628 T CB 1.666 70.522 68.868 -0.020 0.000 1.460 628 T HN 0.650 nan 8.240 nan 0.000 0.499 629 D N -0.626 119.751 120.400 -0.038 0.000 2.467 629 D HA 0.493 5.132 4.640 -0.001 0.000 0.245 629 D C 1.067 177.322 176.300 -0.075 0.000 1.038 629 D CA -1.087 52.884 54.000 -0.049 0.000 1.038 629 D CB 0.412 41.199 40.800 -0.022 0.000 1.278 629 D HN 0.377 nan 8.370 nan 0.000 0.564 630 L N -0.764 120.398 121.223 -0.102 0.000 2.261 630 L HA -0.131 4.208 4.340 -0.001 0.000 0.216 630 L C 1.462 178.393 176.870 0.101 0.000 1.114 630 L CA 1.376 56.141 54.840 -0.124 0.000 0.777 630 L CB -0.422 41.592 42.059 -0.075 0.000 0.910 630 L HN 0.413 nan 8.230 nan 0.000 0.440 631 E N -0.189 120.045 120.200 0.057 0.000 2.435 631 E HA -0.006 4.344 4.350 -0.001 0.000 0.195 631 E C 1.648 178.263 176.600 0.025 0.000 1.029 631 E CA 0.477 56.911 56.400 0.056 0.000 0.865 631 E CB -0.017 29.703 29.700 0.033 0.000 0.833 631 E HN 0.305 nan 8.360 nan 0.000 0.510 632 G N 1.062 109.874 108.800 0.020 0.000 3.392 632 G HA2 -0.062 3.898 3.960 -0.001 0.000 0.247 632 G HA3 -0.062 3.898 3.960 -0.001 0.000 0.247 632 G C 1.118 176.008 174.900 -0.016 0.000 1.161 632 G CA 0.478 45.580 45.100 0.002 0.000 1.739 632 G HN 0.297 nan 8.290 nan 0.000 0.619 633 T N -2.714 111.770 114.554 -0.116 0.000 2.915 633 T HA 0.041 4.391 4.350 -0.001 0.000 0.269 633 T C 2.482 177.040 174.700 -0.237 0.000 1.071 633 T CA 1.287 63.147 62.100 -0.400 0.000 1.132 633 T CB 0.035 68.319 68.868 -0.973 0.000 0.878 633 T HN 0.260 nan 8.240 nan 0.000 0.479 634 A N 1.690 124.448 122.820 -0.104 0.000 1.929 634 A HA 0.039 4.359 4.320 -0.001 0.000 0.216 634 A C 2.240 179.843 177.584 0.032 0.000 1.176 634 A CA 1.399 53.426 52.037 -0.016 0.000 0.628 634 A CB -0.587 18.413 19.000 0.000 0.000 0.816 634 A HN 0.520 nan 8.150 nan 0.000 0.444 635 E N 0.069 120.286 120.200 0.027 0.000 2.106 635 E HA -0.089 4.261 4.350 -0.001 0.000 0.192 635 E C 1.739 178.401 176.600 0.102 0.000 0.984 635 E CA 1.064 57.496 56.400 0.053 0.000 0.806 635 E CB -0.292 29.424 29.700 0.027 0.000 0.750 635 E HN 0.704 nan 8.360 nan 0.000 0.458 636 I N 1.047 121.690 120.570 0.122 0.000 2.202 636 I HA -0.255 3.914 4.170 -0.001 0.000 0.242 636 I C 1.588 177.929 176.117 0.374 0.000 1.091 636 I CA 1.021 62.476 61.300 0.258 0.000 1.368 636 I CB -0.225 37.951 38.000 0.295 0.000 1.058 636 I HN 0.074 nan 8.210 nan 0.000 0.410 637 D N 0.676 121.243 120.400 0.279 0.000 2.092 637 D HA -0.212 4.428 4.640 -0.001 0.000 0.193 637 D C 2.236 178.678 176.300 0.238 0.000 0.994 637 D CA 1.287 55.466 54.000 0.297 0.000 0.828 637 D CB -0.322 40.604 40.800 0.209 0.000 0.963 637 D HN 0.211 nan 8.370 nan 0.000 0.450 638 R N -0.715 119.881 120.500 0.160 0.000 2.081 638 R HA -0.191 4.148 4.340 -0.001 0.000 0.235 638 R C 2.385 178.734 176.300 0.083 0.000 1.131 638 R CA 1.041 57.206 56.100 0.108 0.000 0.960 638 R CB -0.351 30.000 30.300 0.085 0.000 0.856 638 R HN 0.231 nan 8.270 nan 0.000 0.436 639 Y N -0.137 120.138 120.300 -0.041 0.000 2.145 639 Y HA -0.216 4.334 4.550 -0.001 0.000 0.286 639 Y C 1.535 177.262 175.900 -0.289 0.000 1.145 639 Y CA 1.718 59.700 58.100 -0.196 0.000 1.148 639 Y CB -0.328 37.938 38.460 -0.322 0.000 0.981 639 Y HN -0.015 nan 8.280 nan 0.000 0.507 640 F N -0.613 119.249 119.950 -0.148 0.000 2.293 640 F HA -0.089 4.438 4.527 -0.001 0.000 0.297 640 F C 2.624 178.229 175.800 -0.326 0.000 1.089 640 F CA 1.447 59.212 58.000 -0.391 0.000 1.377 640 F CB -0.808 38.023 39.000 -0.281 0.000 1.051 640 F HN -0.090 nan 8.300 nan 0.000 0.511 641 S N -0.245 115.504 115.700 0.081 0.000 2.419 641 S HA -0.130 4.340 4.470 -0.001 0.000 0.233 641 S C 2.346 176.941 174.600 -0.008 0.000 1.016 641 S CA 1.178 59.441 58.200 0.106 0.000 0.974 641 S CB -0.830 62.446 63.200 0.126 0.000 0.786 641 S HN 0.493 nan 8.310 nan 0.000 0.492 642 G N 0.138 108.879 108.800 -0.098 0.000 2.712 642 G HA2 0.114 4.074 3.960 -0.001 0.000 0.212 642 G HA3 0.114 4.074 3.960 -0.001 0.000 0.212 642 G C 1.135 175.952 174.900 -0.139 0.000 1.142 642 G CA 0.203 45.240 45.100 -0.104 0.000 0.789 642 G HN 0.488 nan 8.290 nan 0.000 0.535 643 I N -0.502 119.935 120.570 -0.222 0.000 3.132 643 I HA 0.272 4.442 4.170 -0.001 0.000 0.255 643 I C 0.743 176.785 176.117 -0.125 0.000 1.118 643 I CA -0.048 61.141 61.300 -0.184 0.000 1.463 643 I CB 0.008 37.830 38.000 -0.298 0.000 1.356 643 I HN -0.104 nan 8.210 nan 0.000 0.463 644 L N 1.606 122.690 121.223 -0.232 0.000 2.418 644 L HA 0.315 4.655 4.340 -0.001 0.000 0.265 644 L C -0.551 176.298 176.870 -0.036 0.000 1.143 644 L CA -0.537 54.158 54.840 -0.242 0.000 0.809 644 L CB 1.360 42.961 42.059 -0.764 0.000 1.124 644 L HN -0.129 nan 8.230 nan 0.000 0.456 645 V N 1.444 121.396 119.914 0.062 0.000 2.394 645 V HA 0.152 4.271 4.120 -0.001 0.000 0.282 645 V C 0.227 176.471 176.094 0.249 0.000 1.031 645 V CA -0.663 61.721 62.300 0.140 0.000 0.881 645 V CB 1.409 33.283 31.823 0.085 0.000 0.982 645 V HN 0.731 nan 8.190 nan 0.000 0.451 646 E N 6.773 127.126 120.200 0.254 0.000 2.376 646 E HA 0.203 4.552 4.350 -0.001 0.000 0.266 646 E C -2.181 174.468 176.600 0.081 0.000 1.009 646 E CA -1.361 55.129 56.400 0.150 0.000 0.902 646 E CB 0.880 30.582 29.700 0.003 0.000 0.972 646 E HN 0.473 nan 8.360 nan 0.000 0.439 647 P HA -0.038 nan 4.420 nan 0.000 0.270 647 P C 0.106 177.411 177.300 0.008 0.000 1.223 647 P CA -0.234 62.887 63.100 0.036 0.000 0.785 647 P CB 0.610 32.325 31.700 0.025 0.000 0.923 648 K N 0.493 120.898 120.400 0.009 0.000 2.097 648 K HA -0.079 4.241 4.320 -0.001 0.000 0.206 648 K C 0.419 177.010 176.600 -0.014 0.000 1.049 648 K CA 1.500 57.787 56.287 -0.001 0.000 0.933 648 K CB 0.015 32.516 32.500 0.003 0.000 0.717 648 K HN 0.602 nan 8.250 nan 0.000 0.442 649 E N 1.633 121.823 120.200 -0.017 0.000 2.267 649 E HA 0.210 4.560 4.350 -0.001 0.000 0.248 649 E C -0.760 175.817 176.600 -0.039 0.000 0.899 649 E CA -0.305 56.078 56.400 -0.028 0.000 0.764 649 E CB 1.459 31.145 29.700 -0.023 0.000 1.227 649 E HN 0.017 nan 8.360 nan 0.000 0.421 650 K N 0.823 121.188 120.400 -0.058 0.000 2.258 650 K HA 0.078 4.397 4.320 -0.001 0.000 0.264 650 K C 1.237 177.790 176.600 -0.079 0.000 1.007 650 K CA -0.074 56.163 56.287 -0.082 0.000 0.941 650 K CB 0.992 33.423 32.500 -0.116 0.000 0.966 650 K HN 0.300 nan 8.250 nan 0.000 0.480 651 S N 1.334 116.980 115.700 -0.090 0.000 2.383 651 S HA -0.025 4.445 4.470 -0.001 0.000 0.227 651 S C 0.928 175.470 174.600 -0.097 0.000 1.026 651 S CA 1.244 59.391 58.200 -0.088 0.000 0.981 651 S CB -0.505 62.639 63.200 -0.094 0.000 0.818 651 S HN 0.964 nan 8.310 nan 0.000 0.472 652 G N 0.374 109.105 108.800 -0.116 0.000 2.750 652 G HA2 0.076 4.036 3.960 -0.001 0.000 0.228 652 G HA3 0.076 4.036 3.960 -0.001 0.000 0.228 652 G C 0.022 174.849 174.900 -0.122 0.000 1.367 652 G CA -0.438 44.593 45.100 -0.114 0.000 0.871 652 G HN 1.340 nan 8.290 nan 0.000 0.560 653 A N -0.111 122.641 122.820 -0.113 0.000 2.561 653 A HA 0.456 4.776 4.320 -0.001 0.000 0.234 653 A C 1.007 178.526 177.584 -0.109 0.000 1.055 653 A CA 1.123 53.090 52.037 -0.117 0.000 0.756 653 A CB 0.362 19.305 19.000 -0.096 0.000 0.986 653 A HN 1.076 nan 8.150 nan 0.000 0.505 654 Q N 1.020 120.749 119.800 -0.119 0.000 2.247 654 Q HA 0.053 4.392 4.340 -0.001 0.000 0.288 654 Q C 0.802 176.750 176.000 -0.086 0.000 1.079 654 Q CA 1.358 57.096 55.803 -0.108 0.000 0.932 654 Q CB 0.386 29.056 28.738 -0.112 0.000 1.133 654 Q HN 0.805 nan 8.270 nan 0.000 0.377 655 T N 0.189 114.696 114.554 -0.079 0.000 3.085 655 T HA 0.246 4.596 4.350 -0.001 0.000 0.264 655 T C 0.235 174.899 174.700 -0.060 0.000 1.019 655 T CA -0.413 61.648 62.100 -0.064 0.000 0.910 655 T CB 0.558 69.391 68.868 -0.058 0.000 1.059 655 T HN 0.297 nan 8.240 nan 0.000 0.542 656 E N 1.700 121.858 120.200 -0.070 0.000 2.301 656 E HA 0.645 4.995 4.350 -0.001 0.000 0.275 656 E C 0.176 176.749 176.600 -0.044 0.000 1.030 656 E CA -0.215 56.145 56.400 -0.067 0.000 0.852 656 E CB 1.031 30.672 29.700 -0.098 0.000 1.060 656 E HN 0.477 nan 8.360 nan 0.000 0.401 657 A N 3.168 125.969 122.820 -0.032 0.000 2.386 657 A HA 0.074 4.394 4.320 -0.001 0.000 0.246 657 A C -0.025 177.558 177.584 -0.002 0.000 1.089 657 A CA -0.272 51.754 52.037 -0.018 0.000 0.790 657 A CB 0.190 19.183 19.000 -0.011 0.000 1.042 657 A HN 0.683 nan 8.150 nan 0.000 0.497 658 D N 1.919 122.306 120.400 -0.021 0.000 2.349 658 D HA -0.037 4.603 4.640 -0.001 0.000 0.266 658 D C 1.380 177.639 176.300 -0.068 0.000 1.293 658 D CA -0.388 53.579 54.000 -0.055 0.000 0.926 658 D CB 0.154 40.898 40.800 -0.094 0.000 1.090 658 D HN 0.612 nan 8.370 nan 0.000 0.502 659 W N 3.442 124.659 121.300 -0.139 0.000 2.421 659 W HA -0.172 4.487 4.660 -0.001 0.000 0.270 659 W C 1.077 177.568 176.519 -0.047 0.000 1.233 659 W CA 1.353 58.607 57.345 -0.153 0.000 1.226 659 W CB -1.620 27.620 29.460 -0.365 0.000 1.121 659 W HN 0.425 nan 8.180 nan 0.000 0.579 660 T N -0.451 113.612 114.554 -0.818 0.000 3.023 660 T HA -0.030 4.320 4.350 -0.001 0.000 0.266 660 T C 0.807 175.321 174.700 -0.310 0.000 1.093 660 T CA 0.527 62.204 62.100 -0.705 0.000 1.129 660 T CB -0.297 68.114 68.868 -0.762 0.000 0.899 660 T HN -0.237 nan 8.240 nan 0.000 0.491 661 K N 3.984 124.259 120.400 -0.208 0.000 2.183 661 K HA 0.362 4.682 4.320 -0.001 0.000 0.272 661 K C 0.774 177.343 176.600 -0.052 0.000 1.113 661 K CA 0.107 56.321 56.287 -0.122 0.000 0.949 661 K CB -0.199 32.242 32.500 -0.097 0.000 1.365 661 K HN 0.753 nan 8.250 nan 0.000 0.420 662 S N 0.000 115.680 115.700 -0.033 0.000 2.498 662 S HA 0.000 4.470 4.470 -0.001 0.000 0.327 662 S CA 0.000 58.209 58.200 0.015 0.000 1.107 662 S CB 0.000 63.202 63.200 0.004 0.000 0.593 662 S HN 0.000 nan 8.310 nan 0.000 0.517