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 2jff_1_A DATA FIRST_RESID 1 DATA SEQUENCE ADYQGKNVVI IGLGLTGLSC VDFFLARGVT PRVMDTRMTP PGLDKLPEAV DATA SEQUENCE ERHTGSLNDE WLMAADLIVA SPGIALAHPS LSAAADAGIE IVGDIELFCR DATA SEQUENCE EAQAPIVAIT GSNGKSTVTT LVGEMAKAAG VNVGVGGNIG LPALMLLDDE DATA SEQUENCE CELYVLELSS FQLETTSSLQ AVAATILNVT EDHMDRYPFG LQQYRAAXLR DATA SEQUENCE IYENAKVcVV NADDALTMPI RXXXXRcVSF GVNMGDYHLN HQXXETWLRV DATA SEQUENCE KGEKVLNVKE MKLSGQHNYT NALAALALAD AAGLPRASSL KALTTFTGLP DATA SEQUENCE HRFEVVLEHN GVRWINDSKA TNVGSTEAAL NGLHVDGTLH LLLGGDGKSA DATA SEQUENCE DFSPLARYLN GDNVRLYCFG RDGAQLAALR PEVAEQTETM EQAMRLLAPR DATA SEQUENCE VQPGDMVLLS PACASLDQFK NFEQRGNEFA RLAKELGSH 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 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.308 177.584 -0.460 0.000 1.274 1 A CA 0.000 51.864 52.037 -0.288 0.000 0.836 1 A CB 0.000 18.797 19.000 -0.339 0.000 0.831 2 D N 0.090 120.181 120.400 -0.514 0.000 2.492 2 D HA 0.594 5.040 4.640 -0.324 0.000 0.248 2 D C -0.778 175.273 176.300 -0.414 0.000 1.101 2 D CA 0.022 53.791 54.000 -0.385 0.000 0.840 2 D CB 0.881 41.579 40.800 -0.170 0.000 1.209 2 D HN 0.379 nan 8.370 nan 0.000 0.524 3 Y N 1.054 121.412 120.300 0.097 0.000 2.458 3 Y HA 0.219 4.808 4.550 0.066 0.000 0.256 3 Y C 0.986 176.941 175.900 0.091 0.000 1.159 3 Y CA -0.300 57.887 58.100 0.146 0.000 1.261 3 Y CB 0.043 38.697 38.460 0.324 0.000 1.119 3 Y HN 0.223 nan 8.280 nan 0.000 0.524 4 Q N 0.220 120.099 119.800 0.132 0.000 2.330 4 Q HA 0.285 4.430 4.340 -0.324 0.000 0.279 4 Q C 1.305 177.343 176.000 0.063 0.000 1.024 4 Q CA 1.232 57.086 55.803 0.084 0.000 0.900 4 Q CB 0.432 29.193 28.738 0.037 0.000 1.221 4 Q HN 0.641 nan 8.270 nan 0.000 0.396 5 G N 1.845 110.674 108.800 0.048 0.000 2.212 5 G HA2 -0.253 3.513 3.960 -0.324 0.000 0.266 5 G HA3 -0.253 3.513 3.960 -0.324 0.000 0.266 5 G C -0.091 174.822 174.900 0.021 0.000 0.978 5 G CA -0.104 45.010 45.100 0.024 0.000 0.632 5 G HN 0.423 nan 8.290 nan 0.000 0.537 6 K N 0.750 121.179 120.400 0.048 0.000 2.185 6 K HA 0.248 4.373 4.320 -0.324 0.000 0.271 6 K C -0.050 176.531 176.600 -0.033 0.000 1.013 6 K CA -0.758 55.547 56.287 0.031 0.000 0.943 6 K CB 0.773 33.331 32.500 0.098 0.000 0.998 6 K HN 0.218 nan 8.250 nan 0.000 0.468 7 N N 2.392 121.057 118.700 -0.059 0.000 2.406 7 N HA 0.078 4.623 4.740 -0.324 0.000 0.251 7 N C -1.277 174.142 175.510 -0.152 0.000 1.069 7 N CA -0.164 52.818 53.050 -0.113 0.000 0.947 7 N CB 0.518 38.945 38.487 -0.100 0.000 1.111 7 N HN 0.132 nan 8.380 nan 0.000 0.497 8 V N 3.891 123.662 119.914 -0.239 0.000 2.417 8 V HA 0.406 4.331 4.120 -0.324 0.000 0.291 8 V C 0.033 175.944 176.094 -0.305 0.000 1.024 8 V CA -0.812 61.277 62.300 -0.351 0.000 0.861 8 V CB 1.751 33.142 31.823 -0.720 0.000 0.985 8 V HN 0.309 nan 8.190 nan 0.000 0.436 9 V N 6.399 126.182 119.914 -0.218 0.000 2.448 9 V HA 0.524 4.450 4.120 -0.324 0.000 0.295 9 V C -0.262 175.774 176.094 -0.096 0.000 1.025 9 V CA -0.437 61.791 62.300 -0.121 0.000 0.859 9 V CB 1.899 33.708 31.823 -0.023 0.000 0.988 9 V HN 0.686 nan 8.190 nan 0.000 0.431 10 I N 5.695 126.235 120.570 -0.051 0.000 2.354 10 I HA 0.474 4.450 4.170 -0.324 0.000 0.292 10 I C -0.467 175.667 176.117 0.027 0.000 0.989 10 I CA -0.333 60.962 61.300 -0.007 0.000 1.188 10 I CB 1.618 39.633 38.000 0.025 0.000 1.342 10 I HN 0.425 nan 8.210 nan 0.000 0.457 11 I N 5.785 126.361 120.570 0.010 0.000 2.312 11 I HA 0.600 4.576 4.170 -0.324 0.000 0.290 11 I C 0.424 176.543 176.117 0.004 0.000 1.008 11 I CA -0.360 60.941 61.300 0.002 0.000 1.226 11 I CB 1.269 39.246 38.000 -0.038 0.000 1.371 11 I HN 0.811 nan 8.210 nan 0.000 0.468 12 G N 4.855 113.665 108.800 0.017 0.000 3.355 12 G HA2 -0.050 3.716 3.960 -0.324 0.000 0.686 12 G HA3 -0.050 3.716 3.960 -0.324 0.000 0.686 12 G C -0.975 173.945 174.900 0.033 0.000 1.097 12 G CA -0.838 44.272 45.100 0.018 0.000 0.881 12 G HN 0.421 nan 8.290 nan 0.000 0.550 13 L N 2.913 124.157 121.223 0.035 0.000 2.583 13 L HA 0.938 5.084 4.340 -0.324 0.000 0.165 13 L C 2.060 178.951 176.870 0.035 0.000 1.560 13 L CA 2.134 56.999 54.840 0.041 0.000 3.120 13 L CB -0.695 41.389 42.059 0.042 0.000 2.974 13 L HN 2.764 nan 8.230 nan 0.000 0.955 14 G N -0.900 107.919 108.800 0.033 0.000 2.804 14 G HA2 -0.298 3.468 3.960 -0.324 0.000 0.230 14 G HA3 -0.298 3.468 3.960 -0.324 0.000 0.230 14 G C 0.313 175.232 174.900 0.032 0.000 1.386 14 G CA 0.107 45.225 45.100 0.030 0.000 0.875 14 G HN 0.815 nan 8.290 nan 0.000 0.557 15 L N 0.052 121.292 121.223 0.028 0.000 2.131 15 L HA 0.058 4.204 4.340 -0.324 0.000 0.210 15 L C 3.024 179.911 176.870 0.029 0.000 1.092 15 L CA 3.411 58.268 54.840 0.028 0.000 0.759 15 L CB -0.832 41.241 42.059 0.023 0.000 0.903 15 L HN 0.810 nan 8.230 nan 0.000 0.435 16 T N -0.993 113.576 114.554 0.025 0.000 2.701 16 T HA -0.069 4.087 4.350 -0.324 0.000 0.263 16 T C 1.697 176.415 174.700 0.029 0.000 1.040 16 T CA 1.168 63.279 62.100 0.018 0.000 1.147 16 T CB -0.820 68.056 68.868 0.014 0.000 0.865 16 T HN 0.539 nan 8.240 nan 0.000 0.426 17 G N 1.305 110.128 108.800 0.037 0.000 2.440 17 G HA2 -0.142 3.624 3.960 -0.324 0.000 0.218 17 G HA3 -0.142 3.624 3.960 -0.324 0.000 0.218 17 G C 1.512 176.453 174.900 0.068 0.000 1.154 17 G CA 0.530 45.661 45.100 0.052 0.000 0.767 17 G HN 0.425 nan 8.290 nan 0.000 0.552 18 L N 1.446 122.704 121.223 0.059 0.000 2.083 18 L HA -0.105 4.041 4.340 -0.324 0.000 0.209 18 L C 3.320 180.238 176.870 0.079 0.000 1.083 18 L CA 1.531 56.411 54.840 0.067 0.000 0.752 18 L CB -0.345 41.745 42.059 0.052 0.000 0.899 18 L HN 0.433 nan 8.230 nan 0.000 0.433 19 S N -1.521 114.219 115.700 0.066 0.000 2.402 19 S HA -0.184 4.091 4.470 -0.324 0.000 0.229 19 S C 2.083 176.742 174.600 0.099 0.000 1.021 19 S CA 1.070 59.313 58.200 0.073 0.000 0.974 19 S CB -0.952 62.273 63.200 0.043 0.000 0.800 19 S HN 0.434 nan 8.310 nan 0.000 0.484 20 C N 1.200 120.555 119.300 0.091 0.000 2.453 20 C HA 0.061 4.327 4.460 -0.324 0.000 0.277 20 C C 2.788 177.968 174.990 0.318 0.000 1.262 20 C CA 0.563 59.670 59.018 0.149 0.000 1.718 20 C CB -1.417 26.414 27.740 0.152 0.000 2.031 20 C HN 0.525 nan 8.230 nan 0.000 0.480 21 V N 1.758 121.814 119.914 0.237 0.000 2.252 21 V HA -0.273 3.652 4.120 -0.324 0.000 0.249 21 V C 2.145 178.362 176.094 0.205 0.000 1.056 21 V CA 2.475 64.908 62.300 0.222 0.000 1.022 21 V CB -0.784 31.116 31.823 0.129 0.000 0.641 21 V HN 0.503 nan 8.190 nan 0.000 0.445 22 D N -0.721 119.769 120.400 0.151 0.000 2.117 22 D HA -0.193 4.252 4.640 -0.324 0.000 0.197 22 D C 1.892 178.255 176.300 0.105 0.000 0.987 22 D CA 1.389 55.456 54.000 0.111 0.000 0.829 22 D CB -0.420 40.433 40.800 0.089 0.000 0.961 22 D HN 0.481 nan 8.370 nan 0.000 0.460 23 F N 0.618 120.538 119.950 -0.050 0.000 2.091 23 F HA -0.254 4.067 4.527 -0.344 0.000 0.299 23 F C 1.994 177.642 175.800 -0.253 0.000 1.103 23 F CA 1.436 59.321 58.000 -0.192 0.000 1.228 23 F CB -0.279 38.515 39.000 -0.343 0.000 0.984 23 F HN -0.170 nan 8.300 nan 0.000 0.477 24 F N 0.187 120.199 119.950 0.103 0.000 2.128 24 F HA -0.096 4.201 4.527 -0.382 0.000 0.295 24 F C 2.228 177.994 175.800 -0.057 0.000 1.100 24 F CA 1.216 59.209 58.000 -0.012 0.000 1.260 24 F CB -1.026 38.000 39.000 0.042 0.000 1.009 24 F HN -0.104 nan 8.300 nan 0.000 0.476 25 L N -0.197 121.112 121.223 0.144 0.000 2.013 25 L HA -0.278 3.868 4.340 -0.324 0.000 0.212 25 L C 2.664 179.536 176.870 0.004 0.000 1.073 25 L CA 1.441 56.321 54.840 0.066 0.000 0.753 25 L CB -1.162 40.933 42.059 0.060 0.000 0.890 25 L HN 0.155 nan 8.230 nan 0.000 0.432 26 A N -0.312 122.482 122.820 -0.042 0.000 2.125 26 A HA -0.164 3.962 4.320 -0.324 0.000 0.219 26 A C 2.149 179.661 177.584 -0.119 0.000 1.156 26 A CA 1.293 53.282 52.037 -0.081 0.000 0.671 26 A CB -0.436 18.502 19.000 -0.102 0.000 0.794 26 A HN 0.376 nan 8.150 nan 0.000 0.459 27 R N -1.500 118.912 120.500 -0.148 0.000 2.427 27 R HA 0.284 4.429 4.340 -0.324 0.000 0.262 27 R C 0.989 177.280 176.300 -0.015 0.000 0.943 27 R CA 0.504 56.530 56.100 -0.123 0.000 1.081 27 R CB 0.093 30.258 30.300 -0.225 0.000 1.166 27 R HN 0.583 nan 8.270 nan 0.000 0.534 28 G N 0.643 109.444 108.800 0.001 0.000 2.176 28 G HA2 -0.236 3.529 3.960 -0.324 0.000 0.252 28 G HA3 -0.236 3.529 3.960 -0.324 0.000 0.252 28 G C -0.188 174.741 174.900 0.049 0.000 1.024 28 G CA 0.152 45.264 45.100 0.020 0.000 0.755 28 G HN 0.163 nan 8.290 nan 0.000 0.507 29 V N 0.835 120.801 119.914 0.087 0.000 2.443 29 V HA 0.540 4.465 4.120 -0.324 0.000 0.293 29 V C 0.385 176.521 176.094 0.071 0.000 1.021 29 V CA -0.307 62.053 62.300 0.101 0.000 0.848 29 V CB 1.908 33.862 31.823 0.218 0.000 0.998 29 V HN 0.316 nan 8.190 nan 0.000 0.424 30 T N 7.691 122.247 114.554 0.004 0.000 2.727 30 T HA 0.372 4.527 4.350 -0.324 0.000 0.298 30 T C -2.013 172.631 174.700 -0.093 0.000 0.942 30 T CA -0.728 61.358 62.100 -0.024 0.000 0.997 30 T CB 1.032 69.877 68.868 -0.038 0.000 0.917 30 T HN 0.536 nan 8.240 nan 0.000 0.487 31 P HA 0.448 nan 4.420 nan 0.000 0.282 31 P C -0.478 176.714 177.300 -0.180 0.000 1.287 31 P CA -0.918 62.056 63.100 -0.210 0.000 0.792 31 P CB 1.362 32.928 31.700 -0.224 0.000 1.163 32 R N -0.572 119.793 120.500 -0.224 0.000 2.711 32 R HA 0.643 4.789 4.340 -0.324 0.000 0.284 32 R C -0.944 175.351 176.300 -0.009 0.000 0.968 32 R CA -1.060 54.906 56.100 -0.224 0.000 0.924 32 R CB 1.996 31.908 30.300 -0.647 0.000 1.162 32 R HN 0.230 nan 8.270 nan 0.000 0.465 33 V N 4.102 124.111 119.914 0.158 0.000 2.555 33 V HA 0.516 4.442 4.120 -0.324 0.000 0.302 33 V C -0.009 176.274 176.094 0.315 0.000 1.038 33 V CA -0.749 61.666 62.300 0.190 0.000 0.887 33 V CB 1.702 33.604 31.823 0.132 0.000 0.991 33 V HN 0.760 nan 8.190 nan 0.000 0.434 34 M N 2.166 121.890 119.600 0.206 0.000 2.572 34 M HA 0.824 5.110 4.480 -0.324 0.000 0.299 34 M C -1.771 174.573 176.300 0.074 0.000 1.205 34 M CA -0.482 54.907 55.300 0.147 0.000 0.876 34 M CB 2.876 35.519 32.600 0.072 0.000 1.728 34 M HN 0.547 nan 8.290 nan 0.000 0.458 35 D N 0.829 121.265 120.400 0.060 0.000 2.927 35 D HA 0.207 4.653 4.640 -0.324 0.000 0.219 35 D C 0.260 176.570 176.300 0.017 0.000 1.248 35 D CA -0.017 53.998 54.000 0.025 0.000 0.861 35 D CB 2.617 43.433 40.800 0.026 0.000 1.677 35 D HN 0.892 nan 8.370 nan 0.000 0.511 36 T N 0.351 114.904 114.554 -0.001 0.000 3.035 36 T HA 0.059 4.215 4.350 -0.324 0.000 0.268 36 T C 0.980 175.681 174.700 0.002 0.000 1.109 36 T CA 0.466 62.567 62.100 0.003 0.000 1.119 36 T CB 0.087 68.957 68.868 0.002 0.000 0.900 36 T HN 0.186 nan 8.240 nan 0.000 0.503 37 R N 0.091 120.591 120.500 0.001 0.000 2.410 37 R HA 0.513 4.658 4.340 -0.324 0.000 0.288 37 R C 1.067 177.359 176.300 -0.013 0.000 1.051 37 R CA -0.541 55.558 56.100 -0.002 0.000 1.021 37 R CB 0.630 30.933 30.300 0.005 0.000 1.032 37 R HN 0.037 nan 8.270 nan 0.000 0.481 38 M N 0.911 120.500 119.600 -0.019 0.000 2.156 38 M HA -0.039 4.247 4.480 -0.324 0.000 0.264 38 M C 0.228 176.512 176.300 -0.026 0.000 1.067 38 M CA 1.805 57.085 55.300 -0.033 0.000 1.131 38 M CB 0.596 33.175 32.600 -0.035 0.000 1.368 38 M HN 0.493 nan 8.290 nan 0.000 0.416 39 T N 2.825 117.371 114.554 -0.013 0.000 3.331 39 T HA 0.392 4.548 4.350 -0.324 0.000 0.381 39 T C -2.524 172.178 174.700 0.003 0.000 1.656 39 T CA -1.248 60.848 62.100 -0.006 0.000 1.453 39 T CB 0.247 69.112 68.868 -0.006 0.000 1.066 39 T HN 0.198 nan 8.240 nan 0.000 0.655 40 P HA 0.262 nan 4.420 nan 0.000 0.271 40 P C -2.670 174.640 177.300 0.017 0.000 1.218 40 P CA -1.509 61.599 63.100 0.014 0.000 0.780 40 P CB -0.094 31.617 31.700 0.018 0.000 0.901 41 P HA -0.038 nan 4.420 nan 0.000 0.265 41 P C 1.030 178.344 177.300 0.022 0.000 1.187 41 P CA 1.101 64.212 63.100 0.019 0.000 0.766 41 P CB -0.109 31.603 31.700 0.020 0.000 0.820 42 G N 1.523 110.335 108.800 0.021 0.000 2.179 42 G HA2 -0.337 3.428 3.960 -0.324 0.000 0.260 42 G HA3 -0.337 3.428 3.960 -0.324 0.000 0.260 42 G C 0.667 175.584 174.900 0.027 0.000 0.977 42 G CA 0.293 45.408 45.100 0.025 0.000 0.641 42 G HN 0.563 nan 8.290 nan 0.000 0.533 43 L N 1.244 122.482 121.223 0.025 0.000 2.043 43 L HA 0.022 4.167 4.340 -0.324 0.000 0.212 43 L C 2.113 178.998 176.870 0.025 0.000 1.075 43 L CA 3.009 57.865 54.840 0.026 0.000 0.752 43 L CB -0.421 41.649 42.059 0.019 0.000 0.891 43 L HN 0.269 nan 8.230 nan 0.000 0.432 44 D N -0.750 119.662 120.400 0.020 0.000 2.264 44 D HA -0.146 4.300 4.640 -0.324 0.000 0.208 44 D C 1.976 178.289 176.300 0.021 0.000 0.966 44 D CA 0.610 54.621 54.000 0.018 0.000 0.864 44 D CB -0.008 40.800 40.800 0.014 0.000 0.933 44 D HN 0.288 nan 8.370 nan 0.000 0.499 45 K N 0.559 120.973 120.400 0.024 0.000 2.361 45 K HA 0.008 4.133 4.320 -0.324 0.000 0.196 45 K C 0.423 177.042 176.600 0.032 0.000 1.039 45 K CA -0.308 55.995 56.287 0.027 0.000 1.001 45 K CB -0.129 32.387 32.500 0.028 0.000 0.795 45 K HN 0.117 nan 8.250 nan 0.000 0.495 46 L N 3.522 124.766 121.223 0.035 0.000 2.477 46 L HA 0.120 4.265 4.340 -0.324 0.000 0.272 46 L C -2.298 174.594 176.870 0.037 0.000 1.157 46 L CA -1.226 53.639 54.840 0.041 0.000 0.889 46 L CB 0.276 42.364 42.059 0.047 0.000 1.158 46 L HN -0.065 nan 8.230 nan 0.000 0.473 47 P HA -0.023 nan 4.420 nan 0.000 0.265 47 P C 0.359 177.678 177.300 0.030 0.000 1.193 47 P CA 0.061 63.179 63.100 0.031 0.000 0.765 47 P CB 0.502 32.221 31.700 0.031 0.000 0.823 48 E N 2.961 123.177 120.200 0.026 0.000 2.160 48 E HA -0.253 3.903 4.350 -0.324 0.000 0.195 48 E C 1.532 178.146 176.600 0.025 0.000 0.991 48 E CA 1.308 57.724 56.400 0.026 0.000 0.810 48 E CB -0.220 29.493 29.700 0.021 0.000 0.742 48 E HN 0.521 nan 8.360 nan 0.000 0.466 49 A N 0.584 123.415 122.820 0.019 0.000 2.168 49 A HA 0.024 4.149 4.320 -0.324 0.000 0.215 49 A C 0.971 178.559 177.584 0.007 0.000 1.152 49 A CA 0.315 52.359 52.037 0.012 0.000 0.716 49 A CB 0.153 19.158 19.000 0.008 0.000 0.794 49 A HN 0.102 nan 8.150 nan 0.000 0.465 50 V N 1.922 121.846 119.914 0.017 0.000 2.408 50 V HA 0.098 4.023 4.120 -0.324 0.000 0.267 50 V C 0.087 176.202 176.094 0.034 0.000 1.047 50 V CA -0.564 61.744 62.300 0.013 0.000 0.937 50 V CB 0.783 32.623 31.823 0.029 0.000 0.999 50 V HN 0.496 nan 8.190 nan 0.000 0.472 51 E N 5.689 125.895 120.200 0.009 0.000 2.384 51 E HA 0.307 4.463 4.350 -0.324 0.000 0.266 51 E C 0.032 176.762 176.600 0.218 0.000 1.012 51 E CA -0.269 56.181 56.400 0.085 0.000 0.901 51 E CB 0.684 30.363 29.700 -0.035 0.000 0.967 51 E HN 0.576 nan 8.360 nan 0.000 0.435 52 R N 2.454 123.168 120.500 0.356 0.000 2.771 52 R HA 0.431 4.576 4.340 -0.324 0.000 0.274 52 R C -1.746 174.752 176.300 0.330 0.000 0.987 52 R CA -0.888 55.436 56.100 0.372 0.000 0.908 52 R CB 1.121 31.529 30.300 0.179 0.000 1.213 52 R HN 0.736 nan 8.270 nan 0.000 0.468 53 H N 0.695 119.792 119.070 0.045 0.000 2.924 53 H HA 0.447 4.809 4.556 -0.324 0.000 0.333 53 H C -1.192 174.054 175.328 -0.136 0.000 0.979 53 H CA -0.183 55.723 56.048 -0.236 0.000 1.326 53 H CB 1.451 30.738 29.762 -0.793 0.000 1.600 53 H HN 0.956 nan 8.280 nan 0.000 0.520 54 T N 1.473 115.863 114.554 -0.274 0.000 2.924 54 T HA 0.551 4.707 4.350 -0.324 0.000 0.291 54 T C 1.023 175.611 174.700 -0.188 0.000 1.045 54 T CA -0.282 61.740 62.100 -0.130 0.000 1.015 54 T CB 1.640 70.468 68.868 -0.067 0.000 1.103 54 T HN 1.089 nan 8.240 nan 0.000 0.496 55 G N 0.536 109.290 108.800 -0.078 0.000 2.199 55 G HA2 -0.002 3.764 3.960 -0.324 0.000 0.254 55 G HA3 -0.002 3.764 3.960 -0.324 0.000 0.254 55 G C 0.221 175.109 174.900 -0.020 0.000 0.982 55 G CA 0.552 45.615 45.100 -0.062 0.000 0.632 55 G HN 2.228 nan 8.290 nan 0.000 0.529 56 S N -1.573 114.146 115.700 0.032 0.000 2.627 56 S HA 0.666 4.941 4.470 -0.324 0.000 0.268 56 S C -0.566 174.085 174.600 0.084 0.000 1.130 56 S CA -0.780 57.464 58.200 0.073 0.000 0.819 56 S CB 1.364 64.623 63.200 0.098 0.000 1.100 56 S HN 0.868 nan 8.310 nan 0.000 0.465 57 L N 1.634 122.842 121.223 -0.024 0.000 2.456 57 L HA 0.536 4.682 4.340 -0.324 0.000 0.257 57 L C 0.270 176.935 176.870 -0.342 0.000 1.162 57 L CA -0.802 53.941 54.840 -0.162 0.000 0.808 57 L CB 0.383 42.322 42.059 -0.201 0.000 1.136 57 L HN 0.775 nan 8.230 nan 0.000 0.466 58 N N 0.556 118.917 118.700 -0.565 0.000 2.564 58 N HA 0.097 4.642 4.740 -0.324 0.000 0.248 58 N C -0.029 175.295 175.510 -0.310 0.000 0.986 58 N CA -0.304 52.312 53.050 -0.724 0.000 0.921 58 N CB 1.087 38.662 38.487 -1.519 0.000 1.136 58 N HN 0.488 nan 8.380 nan 0.000 0.509 59 D N 2.159 122.450 120.400 -0.182 0.000 2.218 59 D HA -0.129 4.317 4.640 -0.324 0.000 0.204 59 D C 0.931 177.220 176.300 -0.018 0.000 0.976 59 D CA 1.134 55.092 54.000 -0.070 0.000 0.853 59 D CB 0.555 41.331 40.800 -0.040 0.000 0.939 59 D HN 0.693 nan 8.370 nan 0.000 0.481 60 E N -0.210 119.977 120.200 -0.021 0.000 2.077 60 E HA -0.168 3.988 4.350 -0.324 0.000 0.193 60 E C 1.991 178.716 176.600 0.210 0.000 0.989 60 E CA 0.736 57.184 56.400 0.080 0.000 0.800 60 E CB -0.063 29.693 29.700 0.094 0.000 0.746 60 E HN 0.339 nan 8.360 nan 0.000 0.452 61 W N 0.877 122.118 121.300 -0.098 0.000 2.381 61 W HA -0.036 4.434 4.660 -0.317 0.000 0.301 61 W C 2.040 178.508 176.519 -0.085 0.000 1.205 61 W CA 0.495 57.785 57.345 -0.093 0.000 1.285 61 W CB -0.923 28.465 29.460 -0.120 0.000 1.133 61 W HN 0.071 nan 8.180 nan 0.000 0.521 62 L N -0.524 120.783 121.223 0.141 0.000 2.017 62 L HA -0.233 3.913 4.340 -0.324 0.000 0.208 62 L C 2.344 179.235 176.870 0.034 0.000 1.073 62 L CA 0.972 55.844 54.840 0.054 0.000 0.745 62 L CB -0.790 41.272 42.059 0.006 0.000 0.894 62 L HN -0.115 nan 8.230 nan 0.000 0.432 63 M N -0.809 118.813 119.600 0.037 0.000 2.557 63 M HA -0.015 4.270 4.480 -0.324 0.000 0.259 63 M C 2.106 178.419 176.300 0.022 0.000 1.086 63 M CA 0.968 56.283 55.300 0.025 0.000 1.096 63 M CB -1.044 31.569 32.600 0.022 0.000 1.424 63 M HN 0.235 nan 8.290 nan 0.000 0.488 64 A N -0.079 122.758 122.820 0.029 0.000 2.238 64 A HA 0.501 4.627 4.320 -0.324 0.000 0.210 64 A C 1.231 178.805 177.584 -0.017 0.000 1.179 64 A CA 0.298 52.340 52.037 0.008 0.000 0.827 64 A CB -0.289 18.716 19.000 0.009 0.000 0.856 64 A HN 0.343 nan 8.150 nan 0.000 0.488 65 A N 0.064 122.875 122.820 -0.014 0.000 2.407 65 A HA 0.415 4.541 4.320 -0.324 0.000 0.248 65 A C 0.406 177.976 177.584 -0.024 0.000 1.082 65 A CA -0.021 51.994 52.037 -0.037 0.000 0.785 65 A CB 0.279 19.258 19.000 -0.035 0.000 1.020 65 A HN 0.287 nan 8.150 nan 0.000 0.489 66 D N -0.404 119.978 120.400 -0.029 0.000 2.301 66 D HA 0.145 4.590 4.640 -0.324 0.000 0.206 66 D C -0.283 176.024 176.300 0.011 0.000 0.979 66 D CA 0.912 54.911 54.000 -0.002 0.000 0.874 66 D CB 0.325 41.130 40.800 0.009 0.000 0.968 66 D HN 0.296 nan 8.370 nan 0.000 0.510 67 L N 0.710 121.922 121.223 -0.018 0.000 2.493 67 L HA 0.407 4.553 4.340 -0.324 0.000 0.265 67 L C -1.721 175.115 176.870 -0.057 0.000 0.954 67 L CA -0.513 54.321 54.840 -0.010 0.000 0.844 67 L CB 2.307 44.377 42.059 0.017 0.000 1.302 67 L HN -0.252 nan 8.230 nan 0.000 0.405 68 I N 5.148 125.701 120.570 -0.028 0.000 2.378 68 I HA 0.491 4.466 4.170 -0.324 0.000 0.291 68 I C -0.745 175.359 176.117 -0.022 0.000 0.992 68 I CA -0.904 60.375 61.300 -0.036 0.000 1.154 68 I CB 1.955 39.944 38.000 -0.019 0.000 1.315 68 I HN 0.257 nan 8.210 nan 0.000 0.448 69 V N 6.185 126.081 119.914 -0.030 0.000 2.293 69 V HA 0.507 4.432 4.120 -0.324 0.000 0.275 69 V C 0.348 176.443 176.094 0.001 0.000 1.021 69 V CA -0.554 61.749 62.300 0.005 0.000 0.815 69 V CB 1.125 32.979 31.823 0.051 0.000 1.025 69 V HN 0.803 nan 8.190 nan 0.000 0.448 70 A N 3.719 126.537 122.820 -0.003 0.000 2.260 70 A HA 0.630 4.756 4.320 -0.324 0.000 0.308 70 A C 0.543 178.121 177.584 -0.011 0.000 1.254 70 A CA -0.202 51.825 52.037 -0.016 0.000 0.874 70 A CB 0.847 19.831 19.000 -0.026 0.000 1.153 70 A HN 0.824 nan 8.150 nan 0.000 0.527 71 S N 3.631 119.324 115.700 -0.012 0.000 2.571 71 S HA 0.070 4.346 4.470 -0.324 0.000 0.298 71 S C -0.726 173.867 174.600 -0.012 0.000 1.280 71 S CA -0.211 57.987 58.200 -0.004 0.000 1.052 71 S CB 0.385 63.581 63.200 -0.007 0.000 0.799 71 S HN 0.592 nan 8.310 nan 0.000 0.501 72 P HA -0.018 nan 4.420 nan 0.000 0.221 72 P C 1.268 178.535 177.300 -0.055 0.000 1.145 72 P CA 1.354 64.494 63.100 0.065 0.000 0.795 72 P CB -0.447 31.361 31.700 0.181 0.000 0.775 73 G N -0.569 108.206 108.800 -0.041 0.000 2.848 73 G HA2 0.001 3.767 3.960 -0.324 0.000 0.208 73 G HA3 0.001 3.767 3.960 -0.324 0.000 0.208 73 G C 0.567 175.358 174.900 -0.182 0.000 1.152 73 G CA -0.094 44.947 45.100 -0.097 0.000 0.789 73 G HN 0.340 nan 8.290 nan 0.000 0.531 74 I N 0.894 121.357 120.570 -0.178 0.000 2.404 74 I HA 0.656 4.632 4.170 -0.324 0.000 0.293 74 I C 0.281 176.273 176.117 -0.209 0.000 0.992 74 I CA -1.201 60.000 61.300 -0.164 0.000 1.149 74 I CB 1.708 39.636 38.000 -0.122 0.000 1.315 74 I HN 0.032 nan 8.210 nan 0.000 0.446 75 A N 7.122 129.827 122.820 -0.192 0.000 2.488 75 A HA 0.215 4.340 4.320 -0.324 0.000 0.249 75 A C 1.001 178.549 177.584 -0.059 0.000 1.083 75 A CA -0.112 51.820 52.037 -0.175 0.000 0.768 75 A CB 0.191 19.106 19.000 -0.142 0.000 1.017 75 A HN 0.966 nan 8.150 nan 0.000 0.496 76 L N 2.197 123.390 121.223 -0.051 0.000 2.187 76 L HA -0.231 3.915 4.340 -0.324 0.000 0.213 76 L C 2.666 179.554 176.870 0.030 0.000 1.100 76 L CA 1.469 56.309 54.840 0.000 0.000 0.765 76 L CB -0.332 41.736 42.059 0.015 0.000 0.904 76 L HN 0.854 nan 8.230 nan 0.000 0.437 77 A N -1.924 120.911 122.820 0.025 0.000 2.235 77 A HA -0.126 4.000 4.320 -0.324 0.000 0.208 77 A C 1.023 178.634 177.584 0.045 0.000 1.172 77 A CA 0.052 52.113 52.037 0.040 0.000 0.786 77 A CB -0.755 18.272 19.000 0.045 0.000 0.804 77 A HN 0.352 nan 8.150 nan 0.000 0.479 78 H N 0.799 119.844 119.070 -0.041 0.000 3.070 78 H HA 0.054 4.417 4.556 -0.322 0.000 0.313 78 H C -1.675 173.639 175.328 -0.024 0.000 0.997 78 H CA -1.301 54.723 56.048 -0.040 0.000 1.438 78 H CB 0.960 30.691 29.762 -0.052 0.000 1.455 78 H HN 0.034 nan 8.280 nan 0.000 0.575 79 P HA -0.180 nan 4.420 nan 0.000 0.218 79 P C 1.540 178.932 177.300 0.152 0.000 1.152 79 P CA 1.724 64.845 63.100 0.036 0.000 0.857 79 P CB 0.263 31.926 31.700 -0.062 0.000 0.787 80 S N -1.174 114.739 115.700 0.355 0.000 2.383 80 S HA -0.060 4.216 4.470 -0.324 0.000 0.227 80 S C 1.828 176.470 174.600 0.071 0.000 1.026 80 S CA 0.950 59.246 58.200 0.160 0.000 0.981 80 S CB -0.874 62.366 63.200 0.067 0.000 0.818 80 S HN 0.132 nan 8.310 nan 0.000 0.472 81 L N 0.485 121.756 121.223 0.080 0.000 2.179 81 L HA 0.002 4.148 4.340 -0.324 0.000 0.208 81 L C 2.635 179.529 176.870 0.040 0.000 1.096 81 L CA 0.707 55.564 54.840 0.029 0.000 0.779 81 L CB -0.428 41.637 42.059 0.009 0.000 0.922 81 L HN 0.305 nan 8.230 nan 0.000 0.443 82 S N -0.146 115.590 115.700 0.059 0.000 2.368 82 S HA -0.195 4.080 4.470 -0.324 0.000 0.225 82 S C 2.142 176.762 174.600 0.033 0.000 1.030 82 S CA 1.355 59.581 58.200 0.043 0.000 0.999 82 S CB -0.045 63.182 63.200 0.044 0.000 0.844 82 S HN 0.455 nan 8.310 nan 0.000 0.459 83 A N 1.314 124.156 122.820 0.037 0.000 1.877 83 A HA 0.129 4.254 4.320 -0.324 0.000 0.216 83 A C 2.443 180.040 177.584 0.021 0.000 1.186 83 A CA 1.970 54.023 52.037 0.027 0.000 0.620 83 A CB -1.378 17.639 19.000 0.029 0.000 0.822 83 A HN 0.716 nan 8.150 nan 0.000 0.443 84 A N -0.198 122.634 122.820 0.020 0.000 1.902 84 A HA 0.167 4.293 4.320 -0.324 0.000 0.217 84 A C 2.527 180.120 177.584 0.016 0.000 1.181 84 A CA 2.141 54.187 52.037 0.015 0.000 0.623 84 A CB -1.078 17.927 19.000 0.009 0.000 0.818 84 A HN 1.088 nan 8.150 nan 0.000 0.443 85 A N 0.157 122.988 122.820 0.018 0.000 1.883 85 A HA -0.219 3.907 4.320 -0.324 0.000 0.217 85 A C 1.752 179.347 177.584 0.017 0.000 1.186 85 A CA 1.983 54.031 52.037 0.018 0.000 0.624 85 A CB -0.693 18.319 19.000 0.020 0.000 0.822 85 A HN 0.457 nan 8.150 nan 0.000 0.444 86 D N 0.076 120.486 120.400 0.017 0.000 2.182 86 D HA -0.069 4.377 4.640 -0.324 0.000 0.201 86 D C 1.948 178.257 176.300 0.014 0.000 0.986 86 D CA 1.468 55.477 54.000 0.015 0.000 0.847 86 D CB -0.351 40.458 40.800 0.015 0.000 0.942 86 D HN 0.458 nan 8.370 nan 0.000 0.467 87 A N -0.311 122.517 122.820 0.014 0.000 2.235 87 A HA 0.338 4.464 4.320 -0.324 0.000 0.208 87 A C 1.782 179.374 177.584 0.013 0.000 1.172 87 A CA 1.160 53.204 52.037 0.013 0.000 0.786 87 A CB -0.344 18.664 19.000 0.013 0.000 0.804 87 A HN 0.265 nan 8.150 nan 0.000 0.479 88 G N -0.930 107.879 108.800 0.015 0.000 2.143 88 G HA2 -0.232 3.533 3.960 -0.324 0.000 0.248 88 G HA3 -0.232 3.533 3.960 -0.324 0.000 0.248 88 G C 0.066 174.977 174.900 0.018 0.000 0.991 88 G CA 0.277 45.386 45.100 0.016 0.000 0.689 88 G HN 0.489 nan 8.290 nan 0.000 0.522 89 I N 1.037 121.617 120.570 0.017 0.000 2.416 89 I HA 0.215 4.191 4.170 -0.324 0.000 0.288 89 I C 0.962 177.092 176.117 0.022 0.000 1.051 89 I CA -0.379 60.932 61.300 0.017 0.000 1.375 89 I CB 1.106 39.114 38.000 0.012 0.000 1.407 89 I HN 0.262 nan 8.210 nan 0.000 0.516 90 E N 7.120 127.338 120.200 0.030 0.000 2.376 90 E HA 0.235 4.391 4.350 -0.324 0.000 0.266 90 E C -1.002 175.619 176.600 0.035 0.000 1.009 90 E CA -0.108 56.316 56.400 0.040 0.000 0.902 90 E CB 0.656 30.392 29.700 0.060 0.000 0.972 90 E HN 0.428 nan 8.360 nan 0.000 0.439 91 I N 5.791 126.381 120.570 0.033 0.000 2.436 91 I HA 0.301 4.276 4.170 -0.324 0.000 0.289 91 I C -0.222 175.916 176.117 0.035 0.000 1.010 91 I CA -0.859 60.457 61.300 0.026 0.000 1.098 91 I CB 1.544 39.554 38.000 0.017 0.000 1.266 91 I HN 0.357 nan 8.210 nan 0.000 0.434 92 V N 2.380 122.315 119.914 0.035 0.000 3.158 92 V HA 1.032 4.958 4.120 -0.324 0.000 0.311 92 V C -0.141 175.967 176.094 0.022 0.000 1.181 92 V CA -0.468 61.855 62.300 0.038 0.000 1.054 92 V CB 1.565 33.423 31.823 0.057 0.000 1.085 92 V HN 0.741 nan 8.190 nan 0.000 0.446 93 G N -0.250 108.559 108.800 0.015 0.000 3.013 93 G HA2 0.487 4.253 3.960 -0.324 0.000 0.278 93 G HA3 0.487 4.253 3.960 -0.324 0.000 0.278 93 G C 0.184 175.066 174.900 -0.030 0.000 1.353 93 G CA 0.279 45.380 45.100 0.001 0.000 1.043 93 G HN 0.974 nan 8.290 nan 0.000 0.523 94 D N -0.629 119.743 120.400 -0.046 0.000 2.149 94 D HA -0.170 4.276 4.640 -0.324 0.000 0.198 94 D C 2.087 178.333 176.300 -0.091 0.000 0.990 94 D CA 0.879 54.818 54.000 -0.103 0.000 0.839 94 D CB -0.042 40.704 40.800 -0.091 0.000 0.948 94 D HN 0.148 nan 8.370 nan 0.000 0.460 95 I N 1.152 121.691 120.570 -0.051 0.000 2.252 95 I HA -0.177 3.799 4.170 -0.324 0.000 0.245 95 I C 2.516 178.658 176.117 0.042 0.000 1.102 95 I CA 0.980 62.266 61.300 -0.023 0.000 1.385 95 I CB -1.275 36.705 38.000 -0.034 0.000 1.064 95 I HN 0.085 nan 8.210 nan 0.000 0.414 96 E N 1.594 121.804 120.200 0.016 0.000 2.058 96 E HA -0.194 3.961 4.350 -0.324 0.000 0.194 96 E C 2.299 178.906 176.600 0.012 0.000 0.997 96 E CA 1.433 57.851 56.400 0.029 0.000 0.801 96 E CB -0.407 29.313 29.700 0.033 0.000 0.746 96 E HN 0.450 nan 8.360 nan 0.000 0.450 97 L N -0.356 120.825 121.223 -0.071 0.000 2.042 97 L HA -0.137 4.009 4.340 -0.324 0.000 0.210 97 L C 2.431 179.192 176.870 -0.182 0.000 1.076 97 L CA 1.453 56.170 54.840 -0.205 0.000 0.749 97 L CB -0.584 41.103 42.059 -0.620 0.000 0.893 97 L HN 0.212 nan 8.230 nan 0.000 0.432 98 F N 0.359 120.137 119.950 -0.286 0.000 2.075 98 F HA -0.279 4.056 4.527 -0.320 0.000 0.297 98 F C 2.606 178.321 175.800 -0.142 0.000 1.113 98 F CA 1.732 59.597 58.000 -0.225 0.000 1.218 98 F CB -0.483 38.377 39.000 -0.234 0.000 0.984 98 F HN 0.049 nan 8.300 nan 0.000 0.472 99 C N 0.927 120.259 119.300 0.054 0.000 2.413 99 C HA -0.170 4.096 4.460 -0.324 0.000 0.277 99 C C 2.698 177.635 174.990 -0.088 0.000 1.265 99 C CA 1.209 60.218 59.018 -0.015 0.000 1.752 99 C CB -1.471 26.314 27.740 0.075 0.000 1.998 99 C HN 0.447 nan 8.230 nan 0.000 0.489 100 R N 0.545 121.019 120.500 -0.043 0.000 2.193 100 R HA -0.081 4.065 4.340 -0.324 0.000 0.229 100 R C 1.804 178.079 176.300 -0.042 0.000 1.110 100 R CA 0.942 57.037 56.100 -0.009 0.000 0.988 100 R CB -0.088 30.254 30.300 0.069 0.000 0.871 100 R HN 0.616 nan 8.270 nan 0.000 0.458 101 E N -0.066 120.061 120.200 -0.123 0.000 2.372 101 E HA 0.156 4.312 4.350 -0.324 0.000 0.201 101 E C 0.347 176.804 176.600 -0.239 0.000 0.938 101 E CA 0.142 56.466 56.400 -0.127 0.000 0.944 101 E CB 0.203 29.874 29.700 -0.048 0.000 0.937 101 E HN 0.166 nan 8.360 nan 0.000 0.495 102 A N 2.101 124.634 122.820 -0.479 0.000 2.540 102 A HA 0.014 4.140 4.320 -0.324 0.000 0.239 102 A C 0.737 178.257 177.584 -0.107 0.000 1.061 102 A CA 0.343 52.086 52.037 -0.489 0.000 0.758 102 A CB 0.241 18.742 19.000 -0.831 0.000 0.991 102 A HN -0.051 nan 8.150 nan 0.000 0.502 103 Q N -0.023 119.808 119.800 0.051 0.000 2.175 103 Q HA 0.424 4.569 4.340 -0.324 0.000 0.225 103 Q C -0.119 175.942 176.000 0.102 0.000 0.837 103 Q CA 0.595 56.436 55.803 0.063 0.000 1.032 103 Q CB 0.591 29.351 28.738 0.038 0.000 1.137 103 Q HN 0.845 nan 8.270 nan 0.000 0.483 104 A N 1.040 123.979 122.820 0.198 0.000 2.515 104 A HA 0.795 4.921 4.320 -0.324 0.000 0.296 104 A C -2.667 175.034 177.584 0.194 0.000 1.094 104 A CA -1.585 50.527 52.037 0.125 0.000 0.718 104 A CB 1.034 20.003 19.000 -0.052 0.000 1.307 104 A HN -0.087 nan 8.150 nan 0.000 0.408 105 P HA 0.385 nan 4.420 nan 0.000 0.267 105 P C -0.986 176.435 177.300 0.201 0.000 1.200 105 P CA 0.349 63.525 63.100 0.126 0.000 0.772 105 P CB 0.298 32.041 31.700 0.071 0.000 0.855 106 I N 1.492 122.176 120.570 0.189 0.000 2.406 106 I HA 0.235 4.210 4.170 -0.324 0.000 0.290 106 I C -0.412 175.781 176.117 0.126 0.000 0.999 106 I CA -0.992 60.437 61.300 0.215 0.000 1.124 106 I CB 1.930 40.066 38.000 0.228 0.000 1.289 106 I HN -0.044 nan 8.210 nan 0.000 0.441 107 V N 5.693 125.669 119.914 0.103 0.000 2.432 107 V HA 0.638 4.564 4.120 -0.324 0.000 0.275 107 V C 0.341 176.460 176.094 0.042 0.000 1.043 107 V CA -0.352 61.981 62.300 0.055 0.000 0.925 107 V CB 1.256 33.095 31.823 0.027 0.000 0.985 107 V HN 0.820 nan 8.190 nan 0.000 0.466 108 A N 6.691 129.529 122.820 0.030 0.000 2.318 108 A HA 0.909 5.035 4.320 -0.324 0.000 0.317 108 A C -0.915 176.660 177.584 -0.014 0.000 1.159 108 A CA -0.460 51.580 52.037 0.005 0.000 0.799 108 A CB 0.757 19.761 19.000 0.008 0.000 1.194 108 A HN 0.739 nan 8.150 nan 0.000 0.479 109 I N 1.517 122.068 120.570 -0.032 0.000 2.499 109 I HA 0.553 4.528 4.170 -0.324 0.000 0.288 109 I C 0.259 176.345 176.117 -0.051 0.000 1.048 109 I CA -0.007 61.270 61.300 -0.038 0.000 1.062 109 I CB 2.525 40.501 38.000 -0.041 0.000 1.238 109 I HN 0.660 nan 8.210 nan 0.000 0.426 110 T N 3.229 117.746 114.554 -0.063 0.000 2.742 110 T HA 0.967 5.123 4.350 -0.324 0.000 0.282 110 T C -0.664 174.006 174.700 -0.049 0.000 1.025 110 T CA -0.185 61.873 62.100 -0.069 0.000 1.020 110 T CB 1.891 70.692 68.868 -0.112 0.000 1.317 110 T HN 1.050 nan 8.240 nan 0.000 0.538 111 G N 0.266 109.037 108.800 -0.048 0.000 2.347 111 G HA2 0.225 3.990 3.960 -0.324 0.000 0.321 111 G HA3 0.225 3.990 3.960 -0.324 0.000 0.321 111 G C 0.361 175.271 174.900 0.017 0.000 1.412 111 G CA 0.265 45.351 45.100 -0.024 0.000 0.990 111 G HN 0.641 nan 8.290 nan 0.000 0.637 112 S N -0.500 115.224 115.700 0.040 0.000 2.446 112 S HA 0.139 4.415 4.470 -0.324 0.000 0.225 112 S C 0.821 175.438 174.600 0.028 0.000 1.016 112 S CA 0.982 59.232 58.200 0.084 0.000 0.943 112 S CB -0.085 63.184 63.200 0.114 0.000 0.786 112 S HN 0.668 nan 8.310 nan 0.000 0.508 113 N N -1.452 117.261 118.700 0.022 0.000 2.308 113 N HA 0.416 4.962 4.740 -0.324 0.000 0.283 113 N C -0.054 175.476 175.510 0.032 0.000 1.105 113 N CA 0.475 53.529 53.050 0.006 0.000 0.840 113 N CB 1.586 40.063 38.487 -0.016 0.000 1.633 113 N HN 0.214 nan 8.380 nan 0.000 0.476 114 G N 2.362 111.182 108.800 0.032 0.000 2.175 114 G HA2 -0.315 3.451 3.960 -0.324 0.000 0.244 114 G HA3 -0.315 3.451 3.960 -0.324 0.000 0.244 114 G C 0.895 175.801 174.900 0.009 0.000 0.982 114 G CA 0.777 45.904 45.100 0.045 0.000 0.641 114 G HN 0.720 nan 8.290 nan 0.000 0.527 115 K N 0.397 120.798 120.400 0.002 0.000 2.097 115 K HA 0.119 4.244 4.320 -0.324 0.000 0.205 115 K C 2.287 178.877 176.600 -0.016 0.000 1.050 115 K CA 1.810 58.089 56.287 -0.013 0.000 0.938 115 K CB -0.357 32.136 32.500 -0.011 0.000 0.718 115 K HN 0.257 nan 8.250 nan 0.000 0.442 116 S N 1.041 116.743 115.700 0.003 0.000 2.387 116 S HA -0.079 4.197 4.470 -0.324 0.000 0.226 116 S C 1.948 176.552 174.600 0.006 0.000 1.026 116 S CA 1.545 59.756 58.200 0.019 0.000 0.972 116 S CB -0.370 62.867 63.200 0.060 0.000 0.814 116 S HN 0.418 nan 8.310 nan 0.000 0.477 117 T N 2.397 116.964 114.554 0.021 0.000 2.708 117 T HA -0.068 4.088 4.350 -0.324 0.000 0.266 117 T C 1.976 176.597 174.700 -0.132 0.000 1.037 117 T CA 1.345 63.447 62.100 0.004 0.000 1.146 117 T CB -0.487 68.428 68.868 0.078 0.000 0.865 117 T HN 0.184 nan 8.240 nan 0.000 0.435 118 V N 1.571 121.421 119.914 -0.106 0.000 2.343 118 V HA -0.191 3.734 4.120 -0.324 0.000 0.247 118 V C 2.800 178.805 176.094 -0.150 0.000 1.051 118 V CA 2.037 64.250 62.300 -0.146 0.000 1.036 118 V CB -1.239 30.502 31.823 -0.137 0.000 0.654 118 V HN 0.541 nan 8.190 nan 0.000 0.451 119 T N -0.188 114.301 114.554 -0.108 0.000 2.635 119 T HA -0.239 3.916 4.350 -0.324 0.000 0.267 119 T C 1.941 176.563 174.700 -0.129 0.000 1.040 119 T CA 2.313 64.358 62.100 -0.092 0.000 1.156 119 T CB -0.482 68.355 68.868 -0.052 0.000 0.863 119 T HN 0.562 nan 8.240 nan 0.000 0.430 120 T N 2.192 116.641 114.554 -0.174 0.000 2.821 120 T HA 0.080 4.235 4.350 -0.324 0.000 0.267 120 T C 2.016 176.464 174.700 -0.421 0.000 1.046 120 T CA 0.733 62.683 62.100 -0.250 0.000 1.139 120 T CB -0.420 68.311 68.868 -0.229 0.000 0.871 120 T HN 0.222 nan 8.240 nan 0.000 0.454 121 L N 0.704 121.614 121.223 -0.521 0.000 2.017 121 L HA -0.101 4.045 4.340 -0.324 0.000 0.208 121 L C 2.672 179.395 176.870 -0.245 0.000 1.073 121 L CA 1.048 55.608 54.840 -0.466 0.000 0.745 121 L CB -0.648 41.186 42.059 -0.374 0.000 0.894 121 L HN 0.147 nan 8.230 nan 0.000 0.432 122 V N 0.054 119.860 119.914 -0.181 0.000 2.407 122 V HA -0.225 3.701 4.120 -0.324 0.000 0.248 122 V C 2.623 178.663 176.094 -0.090 0.000 1.055 122 V CA 1.917 64.148 62.300 -0.115 0.000 1.049 122 V CB -1.377 30.392 31.823 -0.090 0.000 0.662 122 V HN 0.596 nan 8.190 nan 0.000 0.455 123 G N -0.141 108.601 108.800 -0.097 0.000 2.476 123 G HA2 -0.253 3.513 3.960 -0.324 0.000 0.218 123 G HA3 -0.253 3.513 3.960 -0.324 0.000 0.218 123 G C 1.467 176.331 174.900 -0.060 0.000 1.164 123 G CA 0.852 45.913 45.100 -0.065 0.000 0.768 123 G HN 0.494 nan 8.290 nan 0.000 0.560 124 E N 0.245 120.391 120.200 -0.090 0.000 2.110 124 E HA -0.068 4.087 4.350 -0.324 0.000 0.193 124 E C 2.631 179.210 176.600 -0.035 0.000 0.988 124 E CA 0.715 57.084 56.400 -0.051 0.000 0.804 124 E CB -0.369 29.295 29.700 -0.059 0.000 0.745 124 E HN 0.509 nan 8.360 nan 0.000 0.458 125 M N 0.367 119.935 119.600 -0.053 0.000 2.080 125 M HA -0.159 4.127 4.480 -0.324 0.000 0.260 125 M C 2.426 178.712 176.300 -0.023 0.000 1.068 125 M CA 1.776 57.056 55.300 -0.033 0.000 1.109 125 M CB -0.355 32.220 32.600 -0.042 0.000 1.342 125 M HN 0.074 nan 8.290 nan 0.000 0.405 126 A N 0.478 123.280 122.820 -0.029 0.000 1.877 126 A HA -0.178 3.947 4.320 -0.324 0.000 0.216 126 A C 2.101 179.674 177.584 -0.018 0.000 1.186 126 A CA 1.778 53.801 52.037 -0.024 0.000 0.620 126 A CB -0.551 18.431 19.000 -0.030 0.000 0.822 126 A HN 0.421 nan 8.150 nan 0.000 0.443 127 K N -0.296 120.095 120.400 -0.016 0.000 2.063 127 K HA -0.097 4.029 4.320 -0.324 0.000 0.208 127 K C 2.194 178.793 176.600 -0.001 0.000 1.048 127 K CA 1.189 57.472 56.287 -0.007 0.000 0.928 127 K CB -0.333 32.167 32.500 0.001 0.000 0.713 127 K HN 0.449 nan 8.250 nan 0.000 0.442 128 A N 1.078 123.898 122.820 -0.000 0.000 2.019 128 A HA -0.056 4.069 4.320 -0.324 0.000 0.219 128 A C 2.138 179.724 177.584 0.002 0.000 1.164 128 A CA 1.664 53.703 52.037 0.004 0.000 0.644 128 A CB -0.410 18.594 19.000 0.007 0.000 0.805 128 A HN 0.330 nan 8.150 nan 0.000 0.449 129 A N -1.755 121.064 122.820 -0.002 0.000 2.251 129 A HA 0.422 4.548 4.320 -0.324 0.000 0.209 129 A C 1.718 179.300 177.584 -0.005 0.000 1.187 129 A CA 1.092 53.127 52.037 -0.003 0.000 0.823 129 A CB -0.865 18.132 19.000 -0.005 0.000 0.846 129 A HN 1.828 nan 8.150 nan 0.000 0.486 130 G N -1.034 107.763 108.800 -0.005 0.000 2.147 130 G HA2 -0.191 3.575 3.960 -0.324 0.000 0.244 130 G HA3 -0.191 3.575 3.960 -0.324 0.000 0.244 130 G C 0.106 174.999 174.900 -0.012 0.000 1.005 130 G CA 0.208 45.304 45.100 -0.006 0.000 0.713 130 G HN 0.767 nan 8.290 nan 0.000 0.515 131 V N 1.016 120.920 119.914 -0.018 0.000 2.498 131 V HA 0.313 4.239 4.120 -0.324 0.000 0.279 131 V C 0.908 176.981 176.094 -0.036 0.000 1.048 131 V CA -0.898 61.385 62.300 -0.028 0.000 0.967 131 V CB 1.650 33.454 31.823 -0.032 0.000 0.988 131 V HN 0.434 nan 8.190 nan 0.000 0.473 132 N N 4.124 122.797 118.700 -0.046 0.000 2.400 132 N HA 0.073 4.619 4.740 -0.324 0.000 0.267 132 N C -0.839 174.616 175.510 -0.091 0.000 1.208 132 N CA 0.366 53.383 53.050 -0.054 0.000 0.951 132 N CB 1.126 39.581 38.487 -0.053 0.000 1.227 132 N HN 0.501 nan 8.380 nan 0.000 0.488 133 V N 2.655 122.526 119.914 -0.072 0.000 2.628 133 V HA 0.788 4.714 4.120 -0.324 0.000 0.306 133 V C 0.173 176.235 176.094 -0.054 0.000 1.045 133 V CA -0.630 61.616 62.300 -0.090 0.000 0.905 133 V CB 1.608 33.401 31.823 -0.051 0.000 0.997 133 V HN 0.647 nan 8.190 nan 0.000 0.436 134 G N 5.068 113.835 108.800 -0.054 0.000 2.370 134 G HA2 0.597 4.362 3.960 -0.324 0.000 0.317 134 G HA3 0.597 4.362 3.960 -0.324 0.000 0.317 134 G C -1.283 173.703 174.900 0.144 0.000 1.162 134 G CA -0.368 44.798 45.100 0.110 0.000 0.922 134 G HN 0.818 nan 8.290 nan 0.000 0.454 135 V N 2.049 122.013 119.914 0.083 0.000 2.487 135 V HA 0.964 4.890 4.120 -0.324 0.000 0.298 135 V C 0.693 176.801 176.094 0.023 0.000 1.028 135 V CA 0.546 62.872 62.300 0.043 0.000 0.860 135 V CB 0.877 32.710 31.823 0.016 0.000 0.991 135 V HN 1.286 nan 8.190 nan 0.000 0.427 136 G N 2.276 111.068 108.800 -0.013 0.000 2.512 136 G HA2 0.669 4.434 3.960 -0.324 0.000 0.181 136 G HA3 0.669 4.434 3.960 -0.324 0.000 0.181 136 G C 0.159 175.008 174.900 -0.084 0.000 1.173 136 G CA 0.469 45.548 45.100 -0.035 0.000 0.988 136 G HN 1.737 nan 8.290 nan 0.000 0.485 137 G N 0.335 109.061 108.800 -0.123 0.000 2.936 137 G HA2 -0.158 3.608 3.960 -0.324 0.000 0.237 137 G HA3 -0.158 3.608 3.960 -0.324 0.000 0.237 137 G C 0.964 175.823 174.900 -0.068 0.000 1.403 137 G CA 1.028 46.040 45.100 -0.147 0.000 1.011 137 G HN 1.673 nan 8.290 nan 0.000 0.568 138 N N 1.283 119.959 118.700 -0.041 0.000 2.459 138 N HA 0.148 4.693 4.740 -0.324 0.000 0.181 138 N C 1.167 176.700 175.510 0.040 0.000 1.046 138 N CA 1.501 54.553 53.050 0.003 0.000 0.904 138 N CB -0.287 38.203 38.487 0.004 0.000 0.964 138 N HN 0.894 nan 8.380 nan 0.000 0.444 139 I N -4.989 115.600 120.570 0.033 0.000 3.023 139 I HA 0.731 4.706 4.170 -0.324 0.000 0.312 139 I C 1.207 177.349 176.117 0.042 0.000 1.056 139 I CA -0.746 60.593 61.300 0.065 0.000 1.033 139 I CB 1.549 39.602 38.000 0.090 0.000 1.233 139 I HN 0.039 nan 8.210 nan 0.000 0.462 140 G N 2.487 111.322 108.800 0.058 0.000 2.582 140 G HA2 -0.246 3.519 3.960 -0.324 0.000 0.288 140 G HA3 -0.246 3.519 3.960 -0.324 0.000 0.288 140 G C -0.176 174.739 174.900 0.024 0.000 1.247 140 G CA 0.199 45.325 45.100 0.043 0.000 0.972 140 G HN 0.835 nan 8.290 nan 0.000 0.557 141 L N 2.385 123.620 121.223 0.019 0.000 2.453 141 L HA 0.293 4.438 4.340 -0.324 0.000 0.272 141 L C -1.686 175.172 176.870 -0.020 0.000 1.182 141 L CA -1.460 53.386 54.840 0.010 0.000 0.858 141 L CB 0.634 42.707 42.059 0.024 0.000 1.120 141 L HN 0.275 nan 8.230 nan 0.000 0.474 142 P HA -0.078 nan 4.420 nan 0.000 0.265 142 P C 0.239 177.477 177.300 -0.103 0.000 1.187 142 P CA 0.179 63.246 63.100 -0.055 0.000 0.766 142 P CB 0.785 32.470 31.700 -0.025 0.000 0.820 143 A N 3.922 126.607 122.820 -0.224 0.000 1.903 143 A HA -0.228 3.898 4.320 -0.324 0.000 0.219 143 A C 1.975 179.433 177.584 -0.211 0.000 1.191 143 A CA 1.847 53.593 52.037 -0.484 0.000 0.638 143 A CB -1.599 16.874 19.000 -0.877 0.000 0.823 143 A HN 0.587 nan 8.150 nan 0.000 0.451 144 L N -1.247 119.960 121.223 -0.026 0.000 2.187 144 L HA -0.193 3.952 4.340 -0.324 0.000 0.213 144 L C 2.639 179.600 176.870 0.151 0.000 1.100 144 L CA 1.301 56.220 54.840 0.133 0.000 0.765 144 L CB -0.496 41.570 42.059 0.012 0.000 0.904 144 L HN 0.444 nan 8.230 nan 0.000 0.437 145 M N -0.746 118.906 119.600 0.086 0.000 2.557 145 M HA -0.118 4.168 4.480 -0.324 0.000 0.259 145 M C 1.825 178.202 176.300 0.128 0.000 1.086 145 M CA 1.208 56.565 55.300 0.095 0.000 1.096 145 M CB -0.113 32.524 32.600 0.060 0.000 1.424 145 M HN 0.287 nan 8.290 nan 0.000 0.488 146 L N -0.390 120.931 121.223 0.162 0.000 2.375 146 L HA 0.111 4.257 4.340 -0.324 0.000 0.215 146 L C 0.880 177.996 176.870 0.409 0.000 1.108 146 L CA -0.183 54.816 54.840 0.266 0.000 0.830 146 L CB -0.193 42.032 42.059 0.276 0.000 0.959 146 L HN 0.220 nan 8.230 nan 0.000 0.457 147 L N 2.265 123.708 121.223 0.366 0.000 2.584 147 L HA -0.035 4.110 4.340 -0.324 0.000 0.272 147 L C -0.395 176.620 176.870 0.241 0.000 1.195 147 L CA 0.756 55.773 54.840 0.293 0.000 0.920 147 L CB -0.011 42.144 42.059 0.161 0.000 1.173 147 L HN 0.129 nan 8.230 nan 0.000 0.489 148 D N 2.622 123.186 120.400 0.273 0.000 2.804 148 D HA 0.000 4.446 4.640 -0.324 0.000 0.209 148 D C -0.069 176.309 176.300 0.130 0.000 1.314 148 D CA -0.455 53.642 54.000 0.162 0.000 0.894 148 D CB 1.462 42.345 40.800 0.138 0.000 1.615 148 D HN 0.579 nan 8.370 nan 0.000 0.571 149 D N 2.104 122.551 120.400 0.078 0.000 2.378 149 D HA -0.084 4.361 4.640 -0.324 0.000 0.227 149 D C 0.659 176.974 176.300 0.026 0.000 1.012 149 D CA 0.695 54.726 54.000 0.053 0.000 0.905 149 D CB 0.193 41.013 40.800 0.033 0.000 0.895 149 D HN 0.499 nan 8.370 nan 0.000 0.532 150 E N -0.707 119.506 120.200 0.021 0.000 2.447 150 E HA 0.095 4.250 4.350 -0.324 0.000 0.195 150 E C 0.192 176.771 176.600 -0.036 0.000 1.028 150 E CA -0.232 56.166 56.400 -0.003 0.000 0.876 150 E CB 0.334 30.036 29.700 0.004 0.000 0.885 150 E HN 0.204 nan 8.360 nan 0.000 0.500 151 C N 1.855 121.119 119.300 -0.060 0.000 2.642 151 C HA 0.025 4.291 4.460 -0.324 0.000 0.420 151 C C 1.521 176.378 174.990 -0.221 0.000 1.349 151 C CA 0.146 59.045 59.018 -0.199 0.000 1.821 151 C CB -0.100 27.382 27.740 -0.430 0.000 2.637 151 C HN 0.439 nan 8.230 nan 0.000 0.605 152 E N 0.680 120.754 120.200 -0.211 0.000 2.473 152 E HA 0.257 4.413 4.350 -0.324 0.000 0.204 152 E C -0.430 176.074 176.600 -0.160 0.000 0.994 152 E CA 0.088 56.402 56.400 -0.143 0.000 0.945 152 E CB 0.478 30.128 29.700 -0.084 0.000 0.990 152 E HN 0.481 nan 8.360 nan 0.000 0.493 153 L N 0.010 121.073 121.223 -0.266 0.000 2.592 153 L HA 0.338 4.484 4.340 -0.324 0.000 0.258 153 L C -2.097 174.590 176.870 -0.305 0.000 0.926 153 L CA -0.739 53.988 54.840 -0.187 0.000 0.885 153 L CB 1.223 43.234 42.059 -0.079 0.000 1.380 153 L HN -0.185 nan 8.230 nan 0.000 0.415 154 Y N 3.405 123.757 120.300 0.087 0.000 2.377 154 Y HA 0.745 5.103 4.550 -0.321 0.000 0.339 154 Y C -0.317 175.611 175.900 0.047 0.000 1.011 154 Y CA -0.854 57.307 58.100 0.101 0.000 1.093 154 Y CB 2.226 40.824 38.460 0.231 0.000 1.201 154 Y HN 0.286 nan 8.280 nan 0.000 0.455 155 V N 5.511 125.525 119.914 0.167 0.000 2.376 155 V HA 0.418 4.344 4.120 -0.324 0.000 0.287 155 V C -0.611 175.499 176.094 0.026 0.000 1.015 155 V CA -0.818 61.521 62.300 0.066 0.000 0.834 155 V CB 1.130 32.962 31.823 0.014 0.000 1.001 155 V HN 0.570 nan 8.190 nan 0.000 0.428 156 L N 3.888 125.108 121.223 -0.004 0.000 2.341 156 L HA 0.600 4.746 4.340 -0.324 0.000 0.278 156 L C 0.133 176.970 176.870 -0.054 0.000 1.005 156 L CA -0.451 54.349 54.840 -0.066 0.000 0.818 156 L CB 2.232 44.210 42.059 -0.135 0.000 1.259 156 L HN 0.635 nan 8.230 nan 0.000 0.418 157 E N 4.246 124.413 120.200 -0.055 0.000 2.229 157 E HA 0.486 4.642 4.350 -0.324 0.000 0.283 157 E C -1.464 175.106 176.600 -0.051 0.000 1.030 157 E CA -0.485 55.890 56.400 -0.042 0.000 0.836 157 E CB 0.982 30.669 29.700 -0.022 0.000 1.068 157 E HN 0.477 nan 8.360 nan 0.000 0.401 158 L N 3.800 124.994 121.223 -0.049 0.000 2.362 158 L HA 0.326 4.472 4.340 -0.324 0.000 0.275 158 L C 0.163 177.006 176.870 -0.045 0.000 0.998 158 L CA -0.931 53.880 54.840 -0.049 0.000 0.820 158 L CB 1.899 43.926 42.059 -0.053 0.000 1.270 158 L HN 0.577 nan 8.230 nan 0.000 0.415 159 S N 0.119 115.794 115.700 -0.041 0.000 2.632 159 S HA 0.145 4.420 4.470 -0.324 0.000 0.267 159 S C 1.264 175.822 174.600 -0.069 0.000 1.276 159 S CA -0.071 58.082 58.200 -0.078 0.000 0.998 159 S CB 1.598 64.717 63.200 -0.136 0.000 0.953 159 S HN 0.758 nan 8.310 nan 0.000 0.547 160 S N 1.193 116.832 115.700 -0.103 0.000 2.383 160 S HA -0.158 4.117 4.470 -0.324 0.000 0.229 160 S C 1.459 176.169 174.600 0.182 0.000 1.030 160 S CA 1.060 59.270 58.200 0.017 0.000 1.002 160 S CB -1.024 62.260 63.200 0.139 0.000 0.829 160 S HN 0.660 nan 8.310 nan 0.000 0.467 161 F N 2.195 122.184 119.950 0.066 0.000 2.102 161 F HA 0.043 4.375 4.527 -0.325 0.000 0.298 161 F C 2.915 178.723 175.800 0.014 0.000 1.105 161 F CA 0.746 58.759 58.000 0.022 0.000 1.239 161 F CB -1.465 37.497 39.000 -0.063 0.000 0.991 161 F HN 0.284 nan 8.300 nan 0.000 0.474 162 Q N 0.052 119.964 119.800 0.187 0.000 2.096 162 Q HA -0.183 3.963 4.340 -0.324 0.000 0.204 162 Q C 2.375 178.417 176.000 0.069 0.000 0.982 162 Q CA 1.434 57.291 55.803 0.091 0.000 0.850 162 Q CB -0.459 28.300 28.738 0.035 0.000 0.901 162 Q HN 0.405 nan 8.270 nan 0.000 0.422 163 L N 0.613 121.873 121.223 0.062 0.000 2.083 163 L HA -0.209 3.937 4.340 -0.324 0.000 0.209 163 L C 2.095 179.003 176.870 0.064 0.000 1.083 163 L CA 1.113 55.976 54.840 0.038 0.000 0.752 163 L CB -0.340 41.719 42.059 0.001 0.000 0.899 163 L HN 0.266 nan 8.230 nan 0.000 0.433 164 E N -0.556 119.712 120.200 0.114 0.000 2.209 164 E HA -0.203 3.953 4.350 -0.324 0.000 0.196 164 E C 1.576 178.223 176.600 0.077 0.000 0.993 164 E CA 1.724 58.194 56.400 0.116 0.000 0.819 164 E CB -0.067 29.736 29.700 0.172 0.000 0.745 164 E HN 0.574 nan 8.360 nan 0.000 0.477 165 T N -2.183 112.411 114.554 0.066 0.000 3.134 165 T HA 0.125 4.281 4.350 -0.324 0.000 0.260 165 T C 0.350 175.074 174.700 0.041 0.000 1.027 165 T CA -0.402 61.727 62.100 0.048 0.000 0.913 165 T CB 0.544 69.435 68.868 0.038 0.000 1.046 165 T HN -0.210 nan 8.240 nan 0.000 0.553 166 T N 1.921 116.499 114.554 0.041 0.000 2.797 166 T HA 0.525 4.681 4.350 -0.324 0.000 0.279 166 T C 0.854 175.576 174.700 0.036 0.000 0.991 166 T CA -0.484 61.638 62.100 0.036 0.000 0.979 166 T CB 1.769 70.654 68.868 0.030 0.000 0.943 166 T HN 0.326 nan 8.240 nan 0.000 0.444 167 S N 0.635 116.358 115.700 0.039 0.000 2.628 167 S HA 0.123 4.399 4.470 -0.324 0.000 0.246 167 S C 1.302 175.924 174.600 0.038 0.000 1.062 167 S CA -0.389 57.833 58.200 0.037 0.000 1.028 167 S CB 0.304 63.527 63.200 0.038 0.000 0.985 167 S HN 0.386 nan 8.310 nan 0.000 0.551 168 S N 1.629 117.354 115.700 0.041 0.000 2.557 168 S HA 0.407 4.682 4.470 -0.324 0.000 0.223 168 S C -0.008 174.617 174.600 0.042 0.000 0.969 168 S CA -0.480 57.743 58.200 0.039 0.000 0.927 168 S CB -0.047 63.176 63.200 0.038 0.000 0.806 168 S HN 0.494 nan 8.310 nan 0.000 0.489 169 L N 3.139 124.390 121.223 0.047 0.000 2.462 169 L HA 0.193 4.338 4.340 -0.324 0.000 0.272 169 L C -0.079 176.823 176.870 0.052 0.000 1.166 169 L CA 0.987 55.859 54.840 0.054 0.000 0.880 169 L CB 0.255 42.343 42.059 0.049 0.000 1.142 169 L HN 0.119 nan 8.230 nan 0.000 0.473 170 Q N 5.557 125.391 119.800 0.057 0.000 3.064 170 Q HA 0.484 4.629 4.340 -0.324 0.000 0.258 170 Q C -0.429 175.610 176.000 0.065 0.000 0.972 170 Q CA -0.563 55.273 55.803 0.055 0.000 0.761 170 Q CB 1.222 29.987 28.738 0.045 0.000 1.281 170 Q HN 0.860 nan 8.270 nan 0.000 0.455 171 A N 0.840 123.703 122.820 0.071 0.000 2.462 171 A HA 0.118 4.243 4.320 -0.324 0.000 0.243 171 A C 1.178 178.804 177.584 0.071 0.000 1.076 171 A CA -0.205 51.878 52.037 0.077 0.000 0.773 171 A CB 0.750 19.795 19.000 0.075 0.000 1.010 171 A HN 0.542 nan 8.150 nan 0.000 0.493 172 V N 1.760 121.716 119.914 0.070 0.000 2.407 172 V HA 0.216 4.142 4.120 -0.324 0.000 0.248 172 V C 1.064 177.190 176.094 0.053 0.000 1.055 172 V CA 2.391 64.725 62.300 0.057 0.000 1.049 172 V CB -0.389 31.466 31.823 0.054 0.000 0.662 172 V HN 1.366 nan 8.190 nan 0.000 0.455 173 A N -1.067 121.787 122.820 0.056 0.000 2.459 173 A HA 0.874 5.000 4.320 -0.324 0.000 0.296 173 A C -0.720 176.906 177.584 0.070 0.000 1.039 173 A CA 0.092 52.162 52.037 0.055 0.000 0.698 173 A CB 1.672 20.689 19.000 0.028 0.000 1.261 173 A HN 1.018 nan 8.150 nan 0.000 0.405 174 A N 0.923 123.810 122.820 0.112 0.000 2.449 174 A HA 0.944 5.069 4.320 -0.324 0.000 0.302 174 A C -0.454 177.263 177.584 0.222 0.000 1.048 174 A CA -0.222 51.894 52.037 0.131 0.000 0.708 174 A CB 1.809 20.895 19.000 0.144 0.000 1.274 174 A HN 1.577 nan 8.150 nan 0.000 0.410 175 T N 1.353 115.986 114.554 0.132 0.000 2.909 175 T HA 0.614 4.770 4.350 -0.324 0.000 0.299 175 T C -1.279 173.436 174.700 0.026 0.000 1.073 175 T CA -0.347 61.871 62.100 0.197 0.000 0.999 175 T CB 0.535 69.498 68.868 0.158 0.000 1.098 175 T HN 0.495 nan 8.240 nan 0.000 0.477 176 I N 6.160 126.766 120.570 0.060 0.000 2.307 176 I HA 0.271 4.247 4.170 -0.324 0.000 0.289 176 I C 1.335 177.531 176.117 0.132 0.000 1.021 176 I CA -0.555 60.741 61.300 -0.007 0.000 1.224 176 I CB 1.385 39.328 38.000 -0.095 0.000 1.376 176 I HN 0.617 nan 8.210 nan 0.000 0.470 177 L N 5.617 126.920 121.223 0.132 0.000 2.093 177 L HA -0.091 4.054 4.340 -0.324 0.000 0.208 177 L C 0.168 177.167 176.870 0.216 0.000 1.085 177 L CA 1.097 56.097 54.840 0.268 0.000 0.755 177 L CB -0.510 41.646 42.059 0.161 0.000 0.904 177 L HN 0.831 nan 8.230 nan 0.000 0.435 178 N N -3.349 115.405 118.700 0.091 0.000 3.322 178 N HA 0.389 4.935 4.740 -0.324 0.000 0.233 178 N C -1.376 174.130 175.510 -0.006 0.000 1.399 178 N CA -0.776 52.303 53.050 0.048 0.000 0.894 178 N CB 1.690 40.219 38.487 0.069 0.000 1.440 178 N HN -0.302 nan 8.380 nan 0.000 0.503 179 V N -0.041 119.864 119.914 -0.016 0.000 2.462 179 V HA 0.777 4.702 4.120 -0.324 0.000 0.288 179 V C -0.550 175.569 176.094 0.041 0.000 1.020 179 V CA -0.278 61.994 62.300 -0.046 0.000 0.857 179 V CB 0.826 32.571 31.823 -0.129 0.000 1.013 179 V HN 1.040 nan 8.190 nan 0.000 0.431 180 T N 0.174 114.797 114.554 0.115 0.000 2.906 180 T HA 0.590 4.746 4.350 -0.324 0.000 0.295 180 T C -0.362 174.436 174.700 0.164 0.000 1.075 180 T CA -0.747 61.417 62.100 0.107 0.000 1.005 180 T CB 2.074 70.973 68.868 0.052 0.000 1.136 180 T HN 0.648 nan 8.240 nan 0.000 0.498 181 E N 1.013 121.255 120.200 0.070 0.000 2.694 181 E HA 0.136 4.292 4.350 -0.324 0.000 0.250 181 E C -0.810 175.699 176.600 -0.151 0.000 0.963 181 E CA 0.507 56.899 56.400 -0.013 0.000 0.949 181 E CB 0.186 29.854 29.700 -0.053 0.000 0.911 181 E HN 0.645 nan 8.360 nan 0.000 0.500 182 D N 1.653 121.810 120.400 -0.406 0.000 2.653 182 D HA 0.173 4.618 4.640 -0.324 0.000 0.258 182 D C -0.931 174.973 176.300 -0.659 0.000 1.252 182 D CA -0.255 53.405 54.000 -0.567 0.000 0.777 182 D CB 0.669 41.114 40.800 -0.591 0.000 1.339 182 D HN 0.611 nan 8.370 nan 0.000 0.422 183 H N 1.448 120.378 119.070 -0.233 0.000 2.861 183 H HA -0.146 4.216 4.556 -0.323 0.000 0.289 183 H C 1.229 176.584 175.328 0.044 0.000 1.176 183 H CA 0.820 56.848 56.048 -0.034 0.000 1.146 183 H CB -1.083 28.694 29.762 0.026 0.000 1.330 183 H HN 0.426 nan 8.280 nan 0.000 0.379 184 M N 0.597 120.215 119.600 0.030 0.000 2.460 184 M HA -0.082 4.204 4.480 -0.324 0.000 0.263 184 M C 2.010 178.337 176.300 0.046 0.000 1.071 184 M CA 1.568 56.902 55.300 0.058 0.000 1.096 184 M CB -0.496 32.089 32.600 -0.025 0.000 1.408 184 M HN 0.363 nan 8.290 nan 0.000 0.463 185 D N -0.376 120.042 120.400 0.031 0.000 2.309 185 D HA -0.188 4.257 4.640 -0.324 0.000 0.212 185 D C 1.585 177.858 176.300 -0.045 0.000 0.968 185 D CA 0.932 54.933 54.000 0.001 0.000 0.882 185 D CB -0.317 40.493 40.800 0.017 0.000 0.918 185 D HN 0.266 nan 8.370 nan 0.000 0.503 186 R N -0.991 119.463 120.500 -0.078 0.000 2.437 186 R HA 0.093 4.238 4.340 -0.324 0.000 0.257 186 R C -0.297 175.729 176.300 -0.457 0.000 0.927 186 R CA -0.113 55.796 56.100 -0.318 0.000 1.078 186 R CB 0.395 30.398 30.300 -0.496 0.000 1.161 186 R HN 0.214 nan 8.270 nan 0.000 0.529 187 Y N 1.018 121.389 120.300 0.119 0.000 2.662 187 Y HA 0.294 4.649 4.550 -0.325 0.000 0.358 187 Y C -1.654 174.298 175.900 0.087 0.000 1.041 187 Y CA -2.658 55.533 58.100 0.152 0.000 1.184 187 Y CB 1.406 39.981 38.460 0.192 0.000 1.114 187 Y HN -0.071 nan 8.280 nan 0.000 0.650 188 P HA -0.068 nan 4.420 nan 0.000 0.237 188 P C 0.424 177.560 177.300 -0.273 0.000 1.178 188 P CA 1.049 64.096 63.100 -0.088 0.000 0.766 188 P CB 0.057 31.648 31.700 -0.183 0.000 0.876 189 F N 0.235 120.260 119.950 0.125 0.000 2.668 189 F HA 0.409 4.741 4.527 -0.324 0.000 0.297 189 F C 1.806 177.664 175.800 0.098 0.000 1.124 189 F CA 0.473 58.532 58.000 0.097 0.000 1.353 189 F CB -0.421 38.633 39.000 0.090 0.000 0.992 189 F HN 0.031 nan 8.300 nan 0.000 0.524 190 G N 0.598 109.517 108.800 0.199 0.000 2.645 190 G HA2 -0.350 3.416 3.960 -0.324 0.000 0.239 190 G HA3 -0.350 3.416 3.960 -0.324 0.000 0.239 190 G C 0.618 175.609 174.900 0.152 0.000 1.331 190 G CA -0.066 45.118 45.100 0.140 0.000 0.890 190 G HN 0.264 nan 8.290 nan 0.000 0.572 191 L N -0.088 121.202 121.223 0.112 0.000 2.042 191 L HA -0.076 4.070 4.340 -0.324 0.000 0.210 191 L C 3.009 179.931 176.870 0.087 0.000 1.076 191 L CA 3.182 58.097 54.840 0.125 0.000 0.749 191 L CB -0.444 41.670 42.059 0.092 0.000 0.893 191 L HN 0.634 nan 8.230 nan 0.000 0.432 192 Q N -0.756 119.083 119.800 0.066 0.000 2.167 192 Q HA -0.249 3.897 4.340 -0.324 0.000 0.202 192 Q C 2.123 178.130 176.000 0.011 0.000 0.970 192 Q CA 1.627 57.448 55.803 0.030 0.000 0.855 192 Q CB -0.353 28.408 28.738 0.038 0.000 0.911 192 Q HN 0.711 nan 8.270 nan 0.000 0.438 193 Q N -0.405 119.431 119.800 0.061 0.000 2.079 193 Q HA -0.190 3.956 4.340 -0.324 0.000 0.200 193 Q C 1.938 177.831 176.000 -0.179 0.000 0.974 193 Q CA 1.081 56.917 55.803 0.055 0.000 0.840 193 Q CB -0.123 28.771 28.738 0.260 0.000 0.898 193 Q HN 0.349 nan 8.270 nan 0.000 0.430 194 Y N 1.428 121.385 120.300 -0.571 0.000 2.128 194 Y HA -0.252 4.103 4.550 -0.325 0.000 0.284 194 Y C 2.361 178.000 175.900 -0.436 0.000 1.154 194 Y CA 2.178 59.679 58.100 -0.999 0.000 1.149 194 Y CB -0.525 37.553 38.460 -0.638 0.000 0.976 194 Y HN 0.058 nan 8.280 nan 0.000 0.505 195 R N 0.444 120.726 120.500 -0.363 0.000 2.096 195 R HA -0.212 3.933 4.340 -0.324 0.000 0.240 195 R C 2.333 178.495 176.300 -0.231 0.000 1.139 195 R CA 1.656 57.554 56.100 -0.335 0.000 0.952 195 R CB -0.697 29.501 30.300 -0.170 0.000 0.854 195 R HN 0.454 nan 8.270 nan 0.000 0.436 196 A N 1.185 123.918 122.820 -0.146 0.000 1.940 196 A HA -0.014 4.112 4.320 -0.324 0.000 0.219 196 A C 1.428 178.963 177.584 -0.082 0.000 1.176 196 A CA 1.370 53.358 52.037 -0.082 0.000 0.631 196 A CB -0.801 18.179 19.000 -0.034 0.000 0.814 196 A HN 0.615 nan 8.150 nan 0.000 0.446 200 R N 0.786 121.233 120.500 -0.088 0.000 2.170 200 R HA -0.116 4.030 4.340 -0.324 0.000 0.242 200 R C 2.031 178.293 176.300 -0.064 0.000 1.145 200 R CA 1.856 57.930 56.100 -0.043 0.000 0.984 200 R CB -0.236 30.050 30.300 -0.023 0.000 0.869 200 R HN 0.367 nan 8.270 nan 0.000 0.455 201 I N 0.091 120.555 120.570 -0.177 0.000 2.454 201 I HA -0.278 3.697 4.170 -0.324 0.000 0.254 201 I C 1.075 177.141 176.117 -0.084 0.000 1.156 201 I CA 1.262 62.456 61.300 -0.176 0.000 1.433 201 I CB 0.108 37.938 38.000 -0.285 0.000 1.082 201 I HN 0.146 nan 8.210 nan 0.000 0.432 202 Y N 1.188 121.488 120.300 -0.000 0.000 2.544 202 Y HA 0.088 4.444 4.550 -0.324 0.000 0.286 202 Y C 0.821 176.725 175.900 0.007 0.000 1.141 202 Y CA -0.310 57.792 58.100 0.003 0.000 1.299 202 Y CB -0.609 37.849 38.460 -0.003 0.000 1.030 202 Y HN 0.167 nan 8.280 nan 0.000 0.543 203 E N 1.925 122.212 120.200 0.144 0.000 2.415 203 E HA -0.059 4.097 4.350 -0.324 0.000 0.260 203 E C 0.206 176.851 176.600 0.076 0.000 1.016 203 E CA 0.186 56.641 56.400 0.092 0.000 0.924 203 E CB -0.021 29.716 29.700 0.060 0.000 0.961 203 E HN 0.283 nan 8.360 nan 0.000 0.459 204 N N 0.139 118.878 118.700 0.065 0.000 2.778 204 N HA -0.212 4.333 4.740 -0.324 0.000 0.249 204 N C -0.519 175.027 175.510 0.061 0.000 1.069 204 N CA 1.066 54.148 53.050 0.053 0.000 0.831 204 N CB -1.284 37.229 38.487 0.045 0.000 1.142 204 N HN 0.562 nan 8.380 nan 0.000 0.573 205 A N 0.719 123.589 122.820 0.082 0.000 2.440 205 A HA 0.230 4.355 4.320 -0.324 0.000 0.251 205 A C 1.376 178.996 177.584 0.061 0.000 1.089 205 A CA 0.002 52.091 52.037 0.087 0.000 0.779 205 A CB 0.570 19.655 19.000 0.142 0.000 1.022 205 A HN 0.239 nan 8.150 nan 0.000 0.492 206 K N 0.879 121.311 120.400 0.053 0.000 2.057 206 K HA 0.023 4.148 4.320 -0.324 0.000 0.206 206 K C -0.152 176.467 176.600 0.032 0.000 1.050 206 K CA 1.175 57.486 56.287 0.039 0.000 0.935 206 K CB -0.069 32.454 32.500 0.038 0.000 0.715 206 K HN 0.499 nan 8.250 nan 0.000 0.439 207 V N 1.342 121.280 119.914 0.039 0.000 2.638 207 V HA 0.165 4.090 4.120 -0.324 0.000 0.306 207 V C -0.415 175.701 176.094 0.038 0.000 1.052 207 V CA -1.317 61.000 62.300 0.028 0.000 0.885 207 V CB 1.501 33.343 31.823 0.032 0.000 0.999 207 V HN 0.333 nan 8.190 nan 0.000 0.424 208 c N 3.256 121.849 118.600 -0.013 0.000 2.341 208 c HA 0.896 5.272 4.570 -0.324 0.000 0.338 208 c C -0.114 173.957 174.090 -0.032 0.000 1.257 208 c CA -0.859 55.438 56.329 -0.053 0.000 1.883 208 c CB 0.432 42.695 42.510 -0.411 0.000 2.334 208 c HN 0.575 nan 8.230 nan 0.000 0.524 209 V N 4.671 124.637 119.914 0.086 0.000 2.378 209 V HA 0.612 4.537 4.120 -0.324 0.000 0.288 209 V C 0.343 176.553 176.094 0.192 0.000 1.016 209 V CA -0.156 62.216 62.300 0.119 0.000 0.840 209 V CB 1.080 32.972 31.823 0.115 0.000 0.994 209 V HN 1.020 nan 8.190 nan 0.000 0.431 210 V N 1.998 121.961 119.914 0.082 0.000 2.994 210 V HA 0.694 4.620 4.120 -0.324 0.000 0.318 210 V C -0.160 175.768 176.094 -0.277 0.000 1.085 210 V CA -0.916 61.384 62.300 0.001 0.000 0.998 210 V CB 2.176 33.952 31.823 -0.079 0.000 1.063 210 V HN 0.687 nan 8.190 nan 0.000 0.447 211 N N 1.853 120.296 118.700 -0.429 0.000 2.437 211 N HA 0.438 4.984 4.740 -0.324 0.000 0.243 211 N C 0.903 176.153 175.510 -0.434 0.000 1.041 211 N CA 0.256 52.781 53.050 -0.875 0.000 0.940 211 N CB 1.383 39.528 38.487 -0.572 0.000 1.133 211 N HN 1.009 nan 8.380 nan 0.000 0.506 212 A N 3.205 125.791 122.820 -0.390 0.000 2.076 212 A HA -0.131 3.995 4.320 -0.324 0.000 0.220 212 A C 1.132 178.640 177.584 -0.126 0.000 1.160 212 A CA 1.299 53.230 52.037 -0.178 0.000 0.653 212 A CB -0.019 18.921 19.000 -0.100 0.000 0.801 212 A HN 0.685 nan 8.150 nan 0.000 0.455 213 D N -0.691 119.620 120.400 -0.148 0.000 2.339 213 D HA 0.072 4.517 4.640 -0.324 0.000 0.217 213 D C -0.413 175.853 176.300 -0.057 0.000 1.050 213 D CA 0.374 54.332 54.000 -0.069 0.000 0.856 213 D CB 0.351 41.135 40.800 -0.027 0.000 0.922 213 D HN 0.349 nan 8.370 nan 0.000 0.518 214 D N -0.057 120.292 120.400 -0.084 0.000 2.358 214 D HA 0.292 4.738 4.640 -0.324 0.000 0.253 214 D C 0.828 177.099 176.300 -0.049 0.000 1.288 214 D CA -0.555 53.414 54.000 -0.050 0.000 0.950 214 D CB 1.216 41.993 40.800 -0.039 0.000 1.197 214 D HN -0.120 nan 8.370 nan 0.000 0.550 215 A N 3.803 126.602 122.820 -0.034 0.000 2.024 215 A HA -0.110 4.016 4.320 -0.324 0.000 0.220 215 A C 2.083 179.656 177.584 -0.018 0.000 1.164 215 A CA 0.894 52.914 52.037 -0.028 0.000 0.643 215 A CB -0.332 18.656 19.000 -0.020 0.000 0.806 215 A HN 0.689 nan 8.150 nan 0.000 0.451 216 L N 0.051 121.264 121.223 -0.017 0.000 2.362 216 L HA -0.102 4.044 4.340 -0.324 0.000 0.219 216 L C 2.628 179.493 176.870 -0.008 0.000 1.134 216 L CA 1.511 56.340 54.840 -0.018 0.000 0.807 216 L CB -0.745 41.297 42.059 -0.029 0.000 0.927 216 L HN 0.665 nan 8.230 nan 0.000 0.447 217 T N -3.702 110.856 114.554 0.006 0.000 3.088 217 T HA 0.075 4.231 4.350 -0.324 0.000 0.259 217 T C 0.770 175.562 174.700 0.153 0.000 1.122 217 T CA 0.019 62.160 62.100 0.068 0.000 1.095 217 T CB -0.068 68.831 68.868 0.051 0.000 0.930 217 T HN 0.046 nan 8.240 nan 0.000 0.508 218 M N 2.331 121.966 119.600 0.057 0.000 2.216 218 M HA 0.406 4.691 4.480 -0.324 0.000 0.356 218 M C -2.407 173.921 176.300 0.045 0.000 1.205 218 M CA -2.359 52.947 55.300 0.010 0.000 1.122 218 M CB 0.960 33.538 32.600 -0.037 0.000 1.571 218 M HN -0.120 nan 8.290 nan 0.000 0.464 219 P HA -0.006 nan 4.420 nan 0.000 0.267 219 P C 0.230 177.537 177.300 0.011 0.000 1.201 219 P CA 0.367 63.484 63.100 0.030 0.000 0.775 219 P CB 0.477 32.134 31.700 -0.071 0.000 0.854 220 I N -0.044 120.541 120.570 0.024 0.000 2.286 220 I HA -0.135 3.840 4.170 -0.324 0.000 0.245 220 I C 1.724 177.840 176.117 -0.001 0.000 1.104 220 I CA 1.623 62.928 61.300 0.009 0.000 1.397 220 I CB -0.268 37.739 38.000 0.011 0.000 1.072 220 I HN 0.353 nan 8.210 nan 0.000 0.417 227 c N 1.065 119.620 118.600 -0.076 0.000 2.398 227 c HA 0.757 5.133 4.570 -0.324 0.000 0.364 227 c C 0.999 175.077 174.090 -0.020 0.000 1.219 227 c CA -0.766 55.511 56.329 -0.086 0.000 2.312 227 c CB 1.309 43.721 42.510 -0.165 0.000 2.428 227 c HN 0.707 nan 8.230 nan 0.000 0.564 228 V N 3.521 123.445 119.914 0.016 0.000 2.715 228 V HA 0.350 4.276 4.120 -0.324 0.000 0.299 228 V C 0.547 176.693 176.094 0.087 0.000 1.054 228 V CA 0.391 62.742 62.300 0.085 0.000 1.077 228 V CB 1.140 33.029 31.823 0.110 0.000 0.972 228 V HN 1.077 nan 8.190 nan 0.000 0.484 229 S N 4.851 120.634 115.700 0.140 0.000 2.568 229 S HA 0.878 5.154 4.470 -0.324 0.000 0.302 229 S C -0.871 173.881 174.600 0.253 0.000 1.082 229 S CA -0.749 57.513 58.200 0.104 0.000 1.009 229 S CB 1.913 65.125 63.200 0.020 0.000 1.069 229 S HN 0.673 nan 8.310 nan 0.000 0.500 230 F N -0.745 119.267 119.950 0.103 0.000 2.561 230 F HA 1.018 5.350 4.527 -0.325 0.000 0.321 230 F C 0.052 175.930 175.800 0.129 0.000 1.065 230 F CA -0.475 57.611 58.000 0.142 0.000 0.934 230 F CB 1.435 40.475 39.000 0.067 0.000 1.215 230 F HN 1.020 nan 8.300 nan 0.000 0.471 231 G N 0.950 109.913 108.800 0.270 0.000 2.495 231 G HA2 0.421 4.186 3.960 -0.324 0.000 0.294 231 G HA3 0.421 4.186 3.960 -0.324 0.000 0.294 231 G C -0.940 174.109 174.900 0.249 0.000 1.397 231 G CA -0.329 44.859 45.100 0.146 0.000 0.790 231 G HN 0.711 nan 8.290 nan 0.000 0.486 232 V N 0.401 120.430 119.914 0.192 0.000 2.283 232 V HA 0.007 3.933 4.120 -0.324 0.000 0.239 232 V C 1.977 178.192 176.094 0.201 0.000 1.035 232 V CA 1.660 64.090 62.300 0.216 0.000 1.018 232 V CB -0.230 31.714 31.823 0.201 0.000 0.658 232 V HN 0.634 nan 8.190 nan 0.000 0.459 233 N N -0.110 118.671 118.700 0.135 0.000 2.254 233 N HA 0.240 4.786 4.740 -0.324 0.000 0.190 233 N C 0.248 175.744 175.510 -0.023 0.000 1.107 233 N CA 0.280 53.375 53.050 0.076 0.000 0.869 233 N CB 0.741 39.267 38.487 0.064 0.000 0.983 233 N HN 0.584 nan 8.380 nan 0.000 0.487 234 M N -2.512 117.095 119.600 0.012 0.000 2.683 234 M HA 0.719 5.004 4.480 -0.324 0.000 0.274 234 M C -0.535 175.808 176.300 0.072 0.000 1.272 234 M CA -0.743 54.534 55.300 -0.038 0.000 0.833 234 M CB 2.632 35.214 32.600 -0.031 0.000 1.708 234 M HN -0.072 nan 8.290 nan 0.000 0.463 235 G N 0.658 109.512 108.800 0.090 0.000 2.428 235 G HA2 -0.034 3.732 3.960 -0.324 0.000 0.681 235 G HA3 -0.034 3.732 3.960 -0.324 0.000 0.681 235 G C -0.771 174.312 174.900 0.304 0.000 1.340 235 G CA -0.241 44.965 45.100 0.177 0.000 0.915 235 G HN 0.841 nan 8.290 nan 0.000 0.645 236 D N -0.640 119.920 120.400 0.266 0.000 2.144 236 D HA -0.048 4.397 4.640 -0.324 0.000 0.199 236 D C 0.411 176.774 176.300 0.105 0.000 0.984 236 D CA 1.754 55.886 54.000 0.219 0.000 0.834 236 D CB 0.032 40.983 40.800 0.253 0.000 0.955 236 D HN 0.348 nan 8.370 nan 0.000 0.465 237 Y N 0.857 121.235 120.300 0.129 0.000 2.334 237 Y HA 0.272 4.628 4.550 -0.323 0.000 0.336 237 Y C 0.769 176.732 175.900 0.105 0.000 0.960 237 Y CA -0.733 57.389 58.100 0.036 0.000 1.164 237 Y CB 0.846 39.367 38.460 0.101 0.000 1.155 237 Y HN 0.011 nan 8.280 nan 0.000 0.478 238 H N 1.493 120.673 119.070 0.183 0.000 2.966 238 H HA 0.645 5.006 4.556 -0.324 0.000 0.330 238 H C -1.668 173.718 175.328 0.096 0.000 1.292 238 H CA -1.277 54.860 56.048 0.148 0.000 1.127 238 H CB 1.229 31.049 29.762 0.096 0.000 1.863 238 H HN 0.509 nan 8.280 nan 0.000 0.543 239 L N 0.918 122.284 121.223 0.238 0.000 2.343 239 L HA 0.373 4.518 4.340 -0.324 0.000 0.275 239 L C 0.373 177.279 176.870 0.061 0.000 1.056 239 L CA -0.663 54.218 54.840 0.068 0.000 0.804 239 L CB 1.295 43.341 42.059 -0.022 0.000 1.203 239 L HN 0.612 nan 8.230 nan 0.000 0.440 240 N N 0.721 119.397 118.700 -0.040 0.000 2.448 240 N HA 0.248 4.793 4.740 -0.324 0.000 0.279 240 N C -1.224 174.244 175.510 -0.071 0.000 1.025 240 N CA -0.661 52.396 53.050 0.012 0.000 0.898 240 N CB 0.960 39.488 38.487 0.067 0.000 1.303 240 N HN 0.642 nan 8.380 nan 0.000 0.495 241 H N 2.341 121.499 119.070 0.147 0.000 2.604 241 H HA 0.238 4.599 4.556 -0.324 0.000 0.306 241 H C -0.161 175.248 175.328 0.134 0.000 1.075 241 H CA -0.187 55.943 56.048 0.138 0.000 1.357 241 H CB 1.516 31.338 29.762 0.100 0.000 1.426 241 H HN 0.527 nan 8.280 nan 0.000 0.470 246 T N 1.151 115.632 114.554 -0.121 0.000 2.886 246 T HA 0.544 4.699 4.350 -0.324 0.000 0.292 246 T C -1.330 173.161 174.700 -0.348 0.000 1.012 246 T CA -0.636 61.357 62.100 -0.178 0.000 0.982 246 T CB 0.757 69.472 68.868 -0.255 0.000 1.018 246 T HN 0.249 nan 8.240 nan 0.000 0.451 247 W N 2.071 123.229 121.300 -0.237 0.000 2.689 247 W HA 0.646 5.111 4.660 -0.324 0.000 0.340 247 W C -0.633 175.771 176.519 -0.192 0.000 1.060 247 W CA -1.038 56.193 57.345 -0.191 0.000 1.218 247 W CB 0.957 30.342 29.460 -0.126 0.000 1.410 247 W HN 0.375 nan 8.180 nan 0.000 0.528 248 L N 3.963 125.227 121.223 0.069 0.000 2.331 248 L HA 0.512 4.657 4.340 -0.324 0.000 0.278 248 L C 0.454 177.341 176.870 0.028 0.000 1.106 248 L CA -0.426 54.432 54.840 0.030 0.000 0.824 248 L CB 0.243 42.312 42.059 0.018 0.000 1.142 248 L HN 0.378 nan 8.230 nan 0.000 0.443 249 R N 2.536 122.963 120.500 -0.123 0.000 2.750 249 R HA 0.690 4.836 4.340 -0.324 0.000 0.281 249 R C -1.361 174.662 176.300 -0.463 0.000 0.972 249 R CA -0.905 55.029 56.100 -0.277 0.000 0.912 249 R CB 2.763 32.858 30.300 -0.341 0.000 1.187 249 R HN 0.303 nan 8.270 nan 0.000 0.464 250 V N 2.876 122.549 119.914 -0.401 0.000 2.407 250 V HA 0.204 4.130 4.120 -0.324 0.000 0.291 250 V C 0.029 175.923 176.094 -0.333 0.000 1.018 250 V CA -0.949 61.027 62.300 -0.539 0.000 0.842 250 V CB 1.224 32.691 31.823 -0.593 0.000 0.996 250 V HN 0.751 nan 8.190 nan 0.000 0.426 251 K N 4.020 124.280 120.400 -0.233 0.000 3.278 251 K HA -0.258 3.868 4.320 -0.324 0.000 0.270 251 K C 1.194 177.796 176.600 0.003 0.000 0.955 251 K CA 0.664 56.930 56.287 -0.034 0.000 0.723 251 K CB -1.391 31.066 32.500 -0.073 0.000 1.382 251 K HN 1.543 nan 8.250 nan 0.000 0.461 252 G N 0.052 108.899 108.800 0.078 0.000 2.234 252 G HA2 -0.382 3.383 3.960 -0.324 0.000 0.260 252 G HA3 -0.382 3.383 3.960 -0.324 0.000 0.260 252 G C -0.082 174.793 174.900 -0.041 0.000 0.987 252 G CA 0.577 45.712 45.100 0.058 0.000 0.625 252 G HN 0.568 nan 8.290 nan 0.000 0.532 253 E N 1.124 121.268 120.200 -0.093 0.000 2.200 253 E HA 0.496 4.652 4.350 -0.324 0.000 0.283 253 E C 0.276 176.798 176.600 -0.129 0.000 1.015 253 E CA -0.747 55.586 56.400 -0.111 0.000 0.819 253 E CB 0.393 30.033 29.700 -0.100 0.000 1.081 253 E HN 0.290 nan 8.360 nan 0.000 0.397 254 K N 2.674 122.981 120.400 -0.154 0.000 2.412 254 K HA 0.035 4.161 4.320 -0.324 0.000 0.281 254 K C 0.733 177.336 176.600 0.005 0.000 1.027 254 K CA 0.037 56.252 56.287 -0.120 0.000 0.989 254 K CB 1.061 33.324 32.500 -0.396 0.000 0.935 254 K HN 0.489 nan 8.250 nan 0.000 0.475 255 V N 1.101 121.075 119.914 0.099 0.000 3.539 255 V HA 0.321 4.247 4.120 -0.324 0.000 0.262 255 V C -0.288 175.898 176.094 0.152 0.000 1.381 255 V CA -0.170 62.186 62.300 0.093 0.000 1.060 255 V CB 0.264 32.103 31.823 0.026 0.000 0.842 255 V HN 0.492 nan 8.190 nan 0.000 0.445 256 L N 1.883 123.239 121.223 0.222 0.000 2.641 256 L HA 0.564 4.710 4.340 -0.324 0.000 0.261 256 L C -1.240 175.533 176.870 -0.161 0.000 0.926 256 L CA -0.223 54.649 54.840 0.053 0.000 0.917 256 L CB 1.905 43.952 42.059 -0.019 0.000 1.361 256 L HN 0.226 nan 8.230 nan 0.000 0.417 257 N N 3.097 121.400 118.700 -0.662 0.000 2.430 257 N HA 0.133 4.678 4.740 -0.324 0.000 0.265 257 N C 1.070 176.196 175.510 -0.640 0.000 1.100 257 N CA 0.317 52.621 53.050 -1.243 0.000 0.961 257 N CB 1.725 39.294 38.487 -1.530 0.000 1.075 257 N HN 0.622 nan 8.380 nan 0.000 0.478 258 V N 2.914 122.463 119.914 -0.609 0.000 3.305 258 V HA -0.121 3.805 4.120 -0.324 0.000 0.269 258 V C 2.017 177.932 176.094 -0.299 0.000 1.157 258 V CA 1.452 63.467 62.300 -0.476 0.000 1.157 258 V CB -0.847 30.428 31.823 -0.914 0.000 0.772 258 V HN 0.774 nan 8.190 nan 0.000 0.498 259 K N 0.416 120.630 120.400 -0.309 0.000 2.280 259 K HA -0.152 3.974 4.320 -0.324 0.000 0.202 259 K C 1.547 178.067 176.600 -0.132 0.000 1.047 259 K CA 1.706 57.883 56.287 -0.182 0.000 0.942 259 K CB -0.272 32.118 32.500 -0.184 0.000 0.739 259 K HN 0.484 nan 8.250 nan 0.000 0.457 260 E N 0.627 120.732 120.200 -0.159 0.000 2.435 260 E HA 0.076 4.232 4.350 -0.324 0.000 0.195 260 E C 0.539 177.108 176.600 -0.052 0.000 1.029 260 E CA 0.402 56.743 56.400 -0.098 0.000 0.865 260 E CB -0.023 29.614 29.700 -0.105 0.000 0.833 260 E HN 0.460 nan 8.360 nan 0.000 0.510 261 M N 0.424 119.999 119.600 -0.043 0.000 2.250 261 M HA 0.124 4.410 4.480 -0.324 0.000 0.344 261 M C 1.321 177.639 176.300 0.030 0.000 1.150 261 M CA 0.096 55.409 55.300 0.021 0.000 1.147 261 M CB 1.072 33.718 32.600 0.076 0.000 1.498 261 M HN -0.257 nan 8.290 nan 0.000 0.461 262 K N 1.556 121.973 120.400 0.029 0.000 2.186 262 K HA 0.185 4.311 4.320 -0.324 0.000 0.202 262 K C 0.183 176.784 176.600 0.001 0.000 1.052 262 K CA 0.585 56.872 56.287 0.000 0.000 0.965 262 K CB 0.031 32.509 32.500 -0.037 0.000 0.746 262 K HN 0.546 nan 8.250 nan 0.000 0.457 263 L N 1.950 123.186 121.223 0.022 0.000 2.467 263 L HA 0.026 4.171 4.340 -0.324 0.000 0.270 263 L C 0.545 177.416 176.870 0.002 0.000 1.205 263 L CA -0.248 54.587 54.840 -0.007 0.000 0.828 263 L CB 0.769 42.834 42.059 0.011 0.000 1.101 263 L HN 0.150 nan 8.230 nan 0.000 0.479 264 S N 0.211 115.825 115.700 -0.143 0.000 2.667 264 S HA 0.929 5.204 4.470 -0.324 0.000 0.292 264 S C -0.293 173.963 174.600 -0.572 0.000 1.126 264 S CA -0.253 57.805 58.200 -0.238 0.000 0.881 264 S CB 2.020 65.182 63.200 -0.064 0.000 1.132 264 S HN 1.248 nan 8.310 nan 0.000 0.492 265 G N 0.441 108.829 108.800 -0.686 0.000 2.895 265 G HA2 -0.116 3.650 3.960 -0.324 0.000 0.686 265 G HA3 -0.116 3.650 3.960 -0.324 0.000 0.686 265 G C 0.093 174.483 174.900 -0.850 0.000 1.108 265 G CA 0.070 44.828 45.100 -0.570 0.000 0.761 265 G HN 0.960 nan 8.290 nan 0.000 0.611 266 Q N 0.582 120.187 119.800 -0.324 0.000 2.112 266 Q HA -0.270 3.875 4.340 -0.324 0.000 0.206 266 Q C 2.339 178.289 176.000 -0.083 0.000 0.987 266 Q CA 2.926 58.687 55.803 -0.070 0.000 0.858 266 Q CB -0.173 28.641 28.738 0.127 0.000 0.905 266 Q HN 1.095 nan 8.270 nan 0.000 0.420 267 H N -1.162 117.833 119.070 -0.124 0.000 2.457 267 H HA 0.030 4.392 4.556 -0.324 0.000 0.294 267 H C 1.516 176.793 175.328 -0.085 0.000 1.064 267 H CA 1.395 57.407 56.048 -0.060 0.000 1.330 267 H CB -0.121 29.603 29.762 -0.063 0.000 1.395 267 H HN 0.238 nan 8.280 nan 0.000 0.541 268 N N 0.186 118.393 118.700 -0.821 0.000 2.354 268 N HA -0.114 4.431 4.740 -0.324 0.000 0.179 268 N C 1.000 176.396 175.510 -0.189 0.000 1.021 268 N CA 0.886 53.629 53.050 -0.512 0.000 0.887 268 N CB -0.193 37.958 38.487 -0.560 0.000 0.974 268 N HN 0.425 nan 8.380 nan 0.000 0.437 269 Y N 1.395 121.629 120.300 -0.109 0.000 2.200 269 Y HA -0.112 4.243 4.550 -0.324 0.000 0.290 269 Y C 2.805 178.695 175.900 -0.017 0.000 1.137 269 Y CA 1.207 59.281 58.100 -0.044 0.000 1.163 269 Y CB -1.469 36.983 38.460 -0.013 0.000 0.988 269 Y HN 0.159 nan 8.280 nan 0.000 0.518 270 T N -2.057 112.591 114.554 0.156 0.000 2.867 270 T HA -0.138 4.017 4.350 -0.324 0.000 0.268 270 T C 1.727 176.354 174.700 -0.121 0.000 1.057 270 T CA 1.319 63.499 62.100 0.133 0.000 1.136 270 T CB -0.455 68.604 68.868 0.318 0.000 0.874 270 T HN 0.171 nan 8.240 nan 0.000 0.466 271 N N 2.408 121.049 118.700 -0.099 0.000 2.104 271 N HA -0.010 4.536 4.740 -0.324 0.000 0.190 271 N C 2.250 177.647 175.510 -0.188 0.000 1.024 271 N CA 1.671 54.618 53.050 -0.172 0.000 0.853 271 N CB -0.901 37.529 38.487 -0.096 0.000 1.008 271 N HN 0.644 nan 8.380 nan 0.000 0.424 272 A N 1.199 123.969 122.820 -0.083 0.000 1.902 272 A HA -0.076 4.050 4.320 -0.324 0.000 0.217 272 A C 2.410 179.941 177.584 -0.089 0.000 1.181 272 A CA 0.987 52.993 52.037 -0.050 0.000 0.623 272 A CB -0.773 18.254 19.000 0.044 0.000 0.818 272 A HN 0.234 nan 8.150 nan 0.000 0.443 273 L N -0.794 120.378 121.223 -0.085 0.000 2.012 273 L HA -0.227 3.918 4.340 -0.324 0.000 0.210 273 L C 3.126 179.800 176.870 -0.326 0.000 1.073 273 L CA 1.208 56.008 54.840 -0.067 0.000 0.748 273 L CB -0.678 41.432 42.059 0.086 0.000 0.891 273 L HN 0.446 nan 8.230 nan 0.000 0.431 274 A N 0.059 122.486 122.820 -0.655 0.000 1.902 274 A HA -0.180 3.946 4.320 -0.324 0.000 0.217 274 A C 2.543 179.875 177.584 -0.420 0.000 1.181 274 A CA 1.840 53.398 52.037 -0.799 0.000 0.623 274 A CB -0.740 17.603 19.000 -1.095 0.000 0.818 274 A HN 0.412 nan 8.150 nan 0.000 0.443 275 A N -0.660 121.975 122.820 -0.309 0.000 1.902 275 A HA -0.037 4.088 4.320 -0.324 0.000 0.217 275 A C 2.143 179.627 177.584 -0.166 0.000 1.181 275 A CA 1.726 53.641 52.037 -0.203 0.000 0.623 275 A CB -0.641 18.257 19.000 -0.170 0.000 0.818 275 A HN 0.615 nan 8.150 nan 0.000 0.443 276 L N -0.246 120.891 121.223 -0.144 0.000 2.046 276 L HA -0.089 4.057 4.340 -0.324 0.000 0.208 276 L C 2.741 179.526 176.870 -0.142 0.000 1.077 276 L CA 2.101 56.907 54.840 -0.056 0.000 0.747 276 L CB -0.708 41.402 42.059 0.085 0.000 0.896 276 L HN 0.364 nan 8.230 nan 0.000 0.432 277 A N -0.622 121.887 122.820 -0.518 0.000 1.908 277 A HA -0.198 3.927 4.320 -0.324 0.000 0.218 277 A C 2.254 179.677 177.584 -0.268 0.000 1.181 277 A CA 2.097 53.672 52.037 -0.771 0.000 0.627 277 A CB -0.901 17.464 19.000 -1.058 0.000 0.818 277 A HN 0.490 nan 8.150 nan 0.000 0.445 278 L N -0.889 120.215 121.223 -0.199 0.000 2.017 278 L HA -0.192 3.954 4.340 -0.324 0.000 0.208 278 L C 3.141 179.979 176.870 -0.053 0.000 1.073 278 L CA 1.155 55.938 54.840 -0.095 0.000 0.745 278 L CB -0.628 41.377 42.059 -0.089 0.000 0.894 278 L HN 0.433 nan 8.230 nan 0.000 0.432 279 A N -0.133 122.652 122.820 -0.057 0.000 1.883 279 A HA -0.249 3.877 4.320 -0.324 0.000 0.217 279 A C 1.944 179.530 177.584 0.003 0.000 1.186 279 A CA 2.083 54.105 52.037 -0.025 0.000 0.624 279 A CB -0.608 18.377 19.000 -0.026 0.000 0.822 279 A HN 0.363 nan 8.150 nan 0.000 0.444 280 D N 0.052 120.466 120.400 0.023 0.000 2.104 280 D HA -0.095 4.350 4.640 -0.324 0.000 0.194 280 D C 2.244 178.574 176.300 0.050 0.000 0.994 280 D CA 1.697 55.736 54.000 0.065 0.000 0.830 280 D CB -0.491 40.403 40.800 0.157 0.000 0.959 280 D HN 0.421 nan 8.370 nan 0.000 0.452 281 A N 0.814 123.654 122.820 0.034 0.000 1.933 281 A HA -0.038 4.088 4.320 -0.324 0.000 0.218 281 A C 2.218 179.818 177.584 0.026 0.000 1.175 281 A CA 2.010 54.067 52.037 0.032 0.000 0.628 281 A CB -0.592 18.420 19.000 0.021 0.000 0.814 281 A HN 0.234 nan 8.150 nan 0.000 0.444 282 A N -1.832 120.999 122.820 0.018 0.000 2.209 282 A HA 0.362 4.488 4.320 -0.324 0.000 0.212 282 A C 1.890 179.484 177.584 0.016 0.000 1.158 282 A CA 1.370 53.417 52.037 0.018 0.000 0.742 282 A CB -0.966 18.040 19.000 0.011 0.000 0.790 282 A HN 1.929 nan 8.150 nan 0.000 0.472 283 G N -1.577 107.234 108.800 0.019 0.000 2.141 283 G HA2 -0.204 3.561 3.960 -0.324 0.000 0.242 283 G HA3 -0.204 3.561 3.960 -0.324 0.000 0.242 283 G C 0.082 174.990 174.900 0.013 0.000 0.982 283 G CA 0.189 45.300 45.100 0.018 0.000 0.662 283 G HN 0.430 nan 8.290 nan 0.000 0.527 284 L N 1.215 122.445 121.223 0.011 0.000 2.426 284 L HA 0.344 4.489 4.340 -0.324 0.000 0.271 284 L C -1.437 175.440 176.870 0.011 0.000 1.169 284 L CA -1.796 53.047 54.840 0.006 0.000 0.836 284 L CB 0.407 42.466 42.059 -0.000 0.000 1.112 284 L HN -0.056 nan 8.230 nan 0.000 0.465 285 P HA 0.064 nan 4.420 nan 0.000 0.268 285 P C 0.021 177.329 177.300 0.015 0.000 1.204 285 P CA -0.382 62.725 63.100 0.011 0.000 0.768 285 P CB 0.704 32.409 31.700 0.008 0.000 0.842 286 R N 4.495 125.007 120.500 0.019 0.000 2.081 286 R HA -0.159 3.986 4.340 -0.324 0.000 0.235 286 R C 1.900 178.212 176.300 0.020 0.000 1.131 286 R CA 2.279 58.394 56.100 0.025 0.000 0.960 286 R CB -1.431 28.884 30.300 0.025 0.000 0.856 286 R HN 0.505 nan 8.270 nan 0.000 0.436 287 A N -0.096 122.734 122.820 0.016 0.000 1.883 287 A HA -0.189 3.937 4.320 -0.324 0.000 0.217 287 A C 2.211 179.803 177.584 0.013 0.000 1.186 287 A CA 2.192 54.238 52.037 0.015 0.000 0.624 287 A CB -0.991 18.016 19.000 0.012 0.000 0.822 287 A HN 0.601 nan 8.150 nan 0.000 0.444 288 S N -0.306 115.400 115.700 0.011 0.000 2.402 288 S HA -0.104 4.172 4.470 -0.324 0.000 0.229 288 S C 2.006 176.610 174.600 0.007 0.000 1.021 288 S CA 1.398 59.603 58.200 0.009 0.000 0.974 288 S CB -0.559 62.645 63.200 0.005 0.000 0.800 288 S HN 0.456 nan 8.310 nan 0.000 0.484 289 S N 2.339 118.044 115.700 0.008 0.000 2.368 289 S HA 0.110 4.386 4.470 -0.324 0.000 0.225 289 S C 1.802 176.407 174.600 0.008 0.000 1.030 289 S CA 1.196 59.398 58.200 0.004 0.000 0.999 289 S CB -0.560 62.645 63.200 0.008 0.000 0.844 289 S HN 0.436 nan 8.310 nan 0.000 0.459 290 L N 1.362 122.595 121.223 0.016 0.000 2.083 290 L HA -0.087 4.059 4.340 -0.324 0.000 0.209 290 L C 2.692 179.571 176.870 0.015 0.000 1.083 290 L CA 1.050 55.900 54.840 0.017 0.000 0.752 290 L CB -0.466 41.605 42.059 0.021 0.000 0.899 290 L HN 0.201 nan 8.230 nan 0.000 0.433 291 K N 0.901 121.310 120.400 0.015 0.000 2.063 291 K HA -0.191 3.935 4.320 -0.324 0.000 0.208 291 K C 2.078 178.694 176.600 0.027 0.000 1.048 291 K CA 1.679 57.976 56.287 0.017 0.000 0.928 291 K CB -0.126 32.383 32.500 0.015 0.000 0.713 291 K HN 0.278 nan 8.250 nan 0.000 0.442 292 A N 1.483 124.317 122.820 0.024 0.000 1.933 292 A HA -0.115 4.011 4.320 -0.324 0.000 0.218 292 A C 2.306 179.928 177.584 0.062 0.000 1.175 292 A CA 1.180 53.239 52.037 0.036 0.000 0.628 292 A CB -0.539 18.463 19.000 0.004 0.000 0.814 292 A HN 0.337 nan 8.150 nan 0.000 0.444 293 L N -0.058 121.190 121.223 0.042 0.000 2.187 293 L HA -0.161 3.985 4.340 -0.324 0.000 0.213 293 L C 2.812 179.728 176.870 0.077 0.000 1.100 293 L CA 1.740 56.616 54.840 0.060 0.000 0.765 293 L CB -0.617 41.460 42.059 0.030 0.000 0.904 293 L HN 0.693 nan 8.230 nan 0.000 0.437 294 T N -5.568 109.017 114.554 0.052 0.000 3.067 294 T HA -0.050 4.106 4.350 -0.324 0.000 0.257 294 T C 1.676 176.405 174.700 0.048 0.000 1.105 294 T CA 0.865 62.987 62.100 0.036 0.000 1.104 294 T CB -0.179 68.695 68.868 0.010 0.000 0.925 294 T HN 0.402 nan 8.240 nan 0.000 0.498 295 T N -1.445 113.155 114.554 0.076 0.000 3.040 295 T HA 0.295 4.450 4.350 -0.324 0.000 0.252 295 T C 0.369 175.136 174.700 0.111 0.000 1.064 295 T CA -0.596 61.548 62.100 0.074 0.000 1.110 295 T CB -0.669 68.240 68.868 0.070 0.000 0.921 295 T HN 0.252 nan 8.240 nan 0.000 0.480 296 F N 4.574 124.524 119.950 0.000 0.000 2.578 296 F HA 0.318 4.651 4.527 -0.323 0.000 0.381 296 F C 1.490 177.293 175.800 0.005 0.000 1.069 296 F CA -0.192 57.809 58.000 0.002 0.000 1.231 296 F CB 1.005 40.004 39.000 -0.001 0.000 1.086 296 F HN 0.202 nan 8.300 nan 0.000 0.564 297 T N 2.027 116.127 114.554 -0.756 0.000 3.044 297 T HA 0.546 4.702 4.350 -0.324 0.000 0.250 297 T C 0.746 175.020 174.700 -0.710 0.000 1.081 297 T CA 0.199 61.969 62.100 -0.550 0.000 1.040 297 T CB -0.508 68.185 68.868 -0.291 0.000 0.962 297 T HN 1.300 nan 8.240 nan 0.000 0.506 298 G N 0.734 108.670 108.800 -1.440 0.000 2.440 298 G HA2 0.172 3.937 3.960 -0.324 0.000 0.684 298 G HA3 0.172 3.937 3.960 -0.324 0.000 0.684 298 G C -1.399 173.300 174.900 -0.334 0.000 1.309 298 G CA -1.038 43.649 45.100 -0.687 0.000 0.931 298 G HN 0.436 nan 8.290 nan 0.000 0.612 299 L N 1.116 122.356 121.223 0.029 0.000 2.334 299 L HA 0.529 4.675 4.340 -0.324 0.000 0.275 299 L C -1.796 175.113 176.870 0.065 0.000 1.036 299 L CA -2.080 52.839 54.840 0.131 0.000 0.807 299 L CB 1.883 44.084 42.059 0.236 0.000 1.231 299 L HN 0.357 nan 8.230 nan 0.000 0.438 300 P HA 0.018 nan 4.420 nan 0.000 0.266 300 P C -0.369 176.919 177.300 -0.020 0.000 1.195 300 P CA 0.355 63.369 63.100 -0.143 0.000 0.768 300 P CB 0.190 31.752 31.700 -0.231 0.000 0.838 301 H N -1.743 117.405 119.070 0.131 0.000 3.641 301 H HA -0.174 4.187 4.556 -0.324 0.000 0.193 301 H C 0.374 175.755 175.328 0.088 0.000 1.013 301 H CA 0.758 56.893 56.048 0.145 0.000 1.212 301 H CB -1.178 28.779 29.762 0.325 0.000 1.089 301 H HN 0.357 nan 8.280 nan 0.000 0.339 302 R N 0.444 121.039 120.500 0.158 0.000 2.287 302 R HA 0.297 4.443 4.340 -0.324 0.000 0.316 302 R C -0.532 175.887 176.300 0.198 0.000 1.050 302 R CA -0.965 55.223 56.100 0.146 0.000 0.983 302 R CB -0.989 29.395 30.300 0.140 0.000 1.140 302 R HN 0.169 nan 8.270 nan 0.000 0.528 303 F N 1.835 121.795 119.950 0.017 0.000 2.783 303 F HA -0.299 4.033 4.527 -0.324 0.000 0.222 303 F C -0.226 175.584 175.800 0.017 0.000 1.028 303 F CA 1.349 59.357 58.000 0.013 0.000 0.862 303 F CB -0.040 38.975 39.000 0.024 0.000 0.744 303 F HN 0.663 nan 8.300 nan 0.000 0.850 304 E N 1.687 121.873 120.200 -0.024 0.000 2.134 304 E HA 0.410 4.565 4.350 -0.324 0.000 0.278 304 E C -0.576 176.006 176.600 -0.030 0.000 0.959 304 E CA -0.744 55.652 56.400 -0.008 0.000 0.783 304 E CB 1.123 30.810 29.700 -0.022 0.000 1.095 304 E HN 0.146 nan 8.360 nan 0.000 0.399 305 V N 6.399 126.315 119.914 0.002 0.000 2.421 305 V HA -0.030 3.896 4.120 -0.324 0.000 0.271 305 V C 1.327 177.453 176.094 0.054 0.000 1.031 305 V CA 0.114 62.434 62.300 0.034 0.000 1.032 305 V CB 0.604 32.461 31.823 0.056 0.000 1.009 305 V HN 0.714 nan 8.190 nan 0.000 0.477 306 V N 3.358 123.333 119.914 0.103 0.000 3.174 306 V HA 0.385 4.311 4.120 -0.324 0.000 0.254 306 V C 0.261 176.363 176.094 0.014 0.000 1.120 306 V CA 0.518 62.853 62.300 0.058 0.000 1.114 306 V CB 0.283 32.158 31.823 0.086 0.000 0.756 306 V HN 0.543 nan 8.190 nan 0.000 0.467 307 L N 0.624 121.896 121.223 0.082 0.000 2.565 307 L HA 0.662 4.808 4.340 -0.324 0.000 0.261 307 L C -1.193 175.808 176.870 0.219 0.000 0.932 307 L CA -0.507 54.366 54.840 0.056 0.000 0.878 307 L CB 2.120 44.084 42.059 -0.159 0.000 1.333 307 L HN 0.307 nan 8.230 nan 0.000 0.409 308 E N 4.276 124.579 120.200 0.172 0.000 2.325 308 E HA 0.395 4.550 4.350 -0.324 0.000 0.248 308 E C -1.760 174.977 176.600 0.228 0.000 0.912 308 E CA -0.427 56.094 56.400 0.201 0.000 0.782 308 E CB 0.637 30.416 29.700 0.132 0.000 1.264 308 E HN 0.744 nan 8.360 nan 0.000 0.417 309 H N 4.274 123.417 119.070 0.123 0.000 3.038 309 H HA 0.199 4.560 4.556 -0.324 0.000 0.362 309 H C -0.451 174.923 175.328 0.078 0.000 1.167 309 H CA -0.552 55.534 56.048 0.065 0.000 1.197 309 H CB 1.063 30.828 29.762 0.005 0.000 1.840 309 H HN 0.605 nan 8.280 nan 0.000 0.540 310 N N 2.466 120.903 118.700 -0.439 0.000 2.725 310 N HA -0.186 4.360 4.740 -0.324 0.000 0.249 310 N C 0.958 176.422 175.510 -0.077 0.000 1.103 310 N CA 1.719 54.594 53.050 -0.292 0.000 0.707 310 N CB -1.397 36.882 38.487 -0.346 0.000 1.043 310 N HN 1.039 nan 8.380 nan 0.000 0.553 311 G N -2.973 105.811 108.800 -0.026 0.000 2.157 311 G HA2 -0.275 3.490 3.960 -0.324 0.000 0.248 311 G HA3 -0.275 3.490 3.960 -0.324 0.000 0.248 311 G C -0.137 174.777 174.900 0.022 0.000 0.979 311 G CA 0.309 45.414 45.100 0.009 0.000 0.650 311 G HN 0.548 nan 8.290 nan 0.000 0.529 312 V N 0.955 120.898 119.914 0.049 0.000 2.487 312 V HA 0.594 4.520 4.120 -0.324 0.000 0.298 312 V C 0.409 176.545 176.094 0.070 0.000 1.028 312 V CA -1.005 61.297 62.300 0.004 0.000 0.860 312 V CB 1.713 33.517 31.823 -0.031 0.000 0.991 312 V HN 0.330 nan 8.190 nan 0.000 0.427 313 R N 3.273 123.761 120.500 -0.020 0.000 2.265 313 R HA 0.409 4.554 4.340 -0.324 0.000 0.319 313 R C -1.656 174.622 176.300 -0.037 0.000 1.006 313 R CA -0.388 55.749 56.100 0.062 0.000 0.880 313 R CB 1.426 31.756 30.300 0.050 0.000 1.077 313 R HN 0.621 nan 8.270 nan 0.000 0.454 314 W N 4.615 125.938 121.300 0.037 0.000 2.329 314 W HA 0.449 4.914 4.660 -0.324 0.000 0.312 314 W C -0.250 176.347 176.519 0.130 0.000 1.054 314 W CA -0.343 57.062 57.345 0.100 0.000 1.245 314 W CB 0.743 30.209 29.460 0.010 0.000 1.255 314 W HN 0.310 nan 8.180 nan 0.000 0.436 315 I N 3.786 124.510 120.570 0.257 0.000 2.389 315 I HA 0.138 4.114 4.170 -0.324 0.000 0.288 315 I C -0.051 175.965 176.117 -0.168 0.000 0.999 315 I CA -0.985 60.272 61.300 -0.073 0.000 1.129 315 I CB 1.403 39.085 38.000 -0.529 0.000 1.288 315 I HN 0.278 nan 8.210 nan 0.000 0.444 316 N N 4.709 123.365 118.700 -0.073 0.000 2.482 316 N HA 0.056 4.602 4.740 -0.324 0.000 0.242 316 N C -0.394 175.017 175.510 -0.166 0.000 1.100 316 N CA 0.065 52.993 53.050 -0.204 0.000 0.946 316 N CB 0.424 38.987 38.487 0.128 0.000 1.227 316 N HN 0.435 nan 8.380 nan 0.000 0.508 317 D N 1.381 121.637 120.400 -0.241 0.000 2.894 317 D HA 0.123 4.568 4.640 -0.324 0.000 0.273 317 D C 1.014 177.269 176.300 -0.075 0.000 1.328 317 D CA -0.046 53.899 54.000 -0.091 0.000 0.845 317 D CB 0.010 40.778 40.800 -0.053 0.000 1.072 317 D HN 0.411 nan 8.370 nan 0.000 0.484 318 S N 0.047 115.725 115.700 -0.037 0.000 2.419 318 S HA -0.194 4.081 4.470 -0.324 0.000 0.235 318 S C 1.799 176.384 174.600 -0.025 0.000 1.019 318 S CA 1.138 59.338 58.200 0.000 0.000 0.982 318 S CB -0.037 63.206 63.200 0.072 0.000 0.789 318 S HN 0.324 nan 8.310 nan 0.000 0.490 319 K N 0.746 121.086 120.400 -0.100 0.000 2.442 319 K HA 0.133 4.259 4.320 -0.324 0.000 0.198 319 K C 0.461 176.852 176.600 -0.348 0.000 1.042 319 K CA 0.576 56.526 56.287 -0.563 0.000 0.958 319 K CB -0.259 31.939 32.500 -0.504 0.000 0.766 319 K HN 0.381 nan 8.250 nan 0.000 0.474 320 A N 1.661 124.381 122.820 -0.167 0.000 2.785 320 A HA 0.032 4.157 4.320 -0.324 0.000 0.294 320 A C 0.651 178.171 177.584 -0.107 0.000 1.597 320 A CA 0.121 52.086 52.037 -0.120 0.000 1.283 320 A CB -0.397 18.560 19.000 -0.072 0.000 1.088 320 A HN 0.392 nan 8.150 nan 0.000 0.568 321 T N -1.148 113.330 114.554 -0.127 0.000 3.105 321 T HA 0.240 4.395 4.350 -0.324 0.000 0.253 321 T C 0.220 174.876 174.700 -0.073 0.000 1.047 321 T CA 0.053 62.104 62.100 -0.082 0.000 0.944 321 T CB -0.705 68.112 68.868 -0.084 0.000 1.016 321 T HN 0.764 nan 8.240 nan 0.000 0.544 322 N N -1.191 117.465 118.700 -0.073 0.000 2.732 322 N HA 0.412 4.957 4.740 -0.324 0.000 0.259 322 N C 0.489 175.989 175.510 -0.016 0.000 1.402 322 N CA -0.993 52.019 53.050 -0.063 0.000 0.829 322 N CB 1.117 39.525 38.487 -0.131 0.000 1.495 322 N HN -0.195 nan 8.380 nan 0.000 0.511 323 V N 0.197 120.118 119.914 0.013 0.000 2.287 323 V HA -0.090 3.835 4.120 -0.324 0.000 0.248 323 V C 2.296 178.392 176.094 0.004 0.000 1.053 323 V CA 2.559 64.889 62.300 0.050 0.000 1.027 323 V CB -1.266 30.598 31.823 0.069 0.000 0.646 323 V HN 0.913 nan 8.190 nan 0.000 0.447 324 G N -1.395 107.396 108.800 -0.016 0.000 2.432 324 G HA2 -0.287 3.479 3.960 -0.324 0.000 0.219 324 G HA3 -0.287 3.479 3.960 -0.324 0.000 0.219 324 G C 1.914 176.767 174.900 -0.078 0.000 1.135 324 G CA 1.287 46.369 45.100 -0.030 0.000 0.767 324 G HN 0.495 nan 8.290 nan 0.000 0.550 325 S N -0.282 115.369 115.700 -0.081 0.000 2.371 325 S HA -0.085 4.191 4.470 -0.324 0.000 0.224 325 S C 2.542 177.066 174.600 -0.127 0.000 1.029 325 S CA 1.995 60.127 58.200 -0.113 0.000 0.978 325 S CB -0.475 62.668 63.200 -0.094 0.000 0.833 325 S HN 0.353 nan 8.310 nan 0.000 0.466 326 T N 1.574 116.074 114.554 -0.090 0.000 2.746 326 T HA -0.096 4.060 4.350 -0.324 0.000 0.267 326 T C 1.736 176.335 174.700 -0.168 0.000 1.039 326 T CA 1.623 63.668 62.100 -0.091 0.000 1.142 326 T CB -0.430 68.407 68.868 -0.051 0.000 0.866 326 T HN 0.654 nan 8.240 nan 0.000 0.444 327 E N 1.150 121.243 120.200 -0.177 0.000 2.085 327 E HA -0.167 3.988 4.350 -0.324 0.000 0.194 327 E C 2.275 178.652 176.600 -0.371 0.000 0.994 327 E CA 1.203 57.416 56.400 -0.312 0.000 0.801 327 E CB -0.275 29.359 29.700 -0.109 0.000 0.743 327 E HN 0.482 nan 8.360 nan 0.000 0.453 328 A N 0.747 123.380 122.820 -0.311 0.000 1.972 328 A HA -0.050 4.076 4.320 -0.324 0.000 0.219 328 A C 2.336 179.650 177.584 -0.449 0.000 1.169 328 A CA 1.662 53.426 52.037 -0.456 0.000 0.635 328 A CB -0.635 17.945 19.000 -0.699 0.000 0.810 328 A HN 0.438 nan 8.150 nan 0.000 0.446 329 A N -0.514 122.127 122.820 -0.298 0.000 1.930 329 A HA 0.149 4.275 4.320 -0.324 0.000 0.215 329 A C 2.082 179.572 177.584 -0.158 0.000 1.176 329 A CA 1.185 53.124 52.037 -0.164 0.000 0.632 329 A CB -0.381 18.684 19.000 0.109 0.000 0.819 329 A HN 0.447 nan 8.150 nan 0.000 0.445 330 L N -0.552 120.508 121.223 -0.272 0.000 2.209 330 L HA 0.003 4.149 4.340 -0.324 0.000 0.207 330 L C 0.745 177.395 176.870 -0.367 0.000 1.094 330 L CA 0.092 54.732 54.840 -0.334 0.000 0.790 330 L CB -0.510 41.235 42.059 -0.524 0.000 0.932 330 L HN 0.286 nan 8.230 nan 0.000 0.447 331 N N 0.953 119.375 118.700 -0.464 0.000 2.438 331 N HA 0.130 4.675 4.740 -0.324 0.000 0.267 331 N C 0.898 176.384 175.510 -0.040 0.000 1.222 331 N CA 1.078 54.025 53.050 -0.173 0.000 0.930 331 N CB 0.694 39.126 38.487 -0.093 0.000 1.083 331 N HN 0.339 nan 8.380 nan 0.000 0.476 332 G N 2.352 111.181 108.800 0.047 0.000 2.148 332 G HA2 -0.277 3.488 3.960 -0.324 0.000 0.254 332 G HA3 -0.277 3.488 3.960 -0.324 0.000 0.254 332 G C 0.021 174.945 174.900 0.040 0.000 0.981 332 G CA 0.291 45.419 45.100 0.046 0.000 0.670 332 G HN 0.628 nan 8.290 nan 0.000 0.528 333 L N 1.272 122.510 121.223 0.025 0.000 2.410 333 L HA 0.654 4.799 4.340 -0.324 0.000 0.273 333 L C 0.458 177.382 176.870 0.090 0.000 1.152 333 L CA -0.904 53.962 54.840 0.044 0.000 0.855 333 L CB 0.440 42.519 42.059 0.034 0.000 1.129 333 L HN 0.350 nan 8.230 nan 0.000 0.463 334 H N 4.059 123.152 119.070 0.038 0.000 2.552 334 H HA 0.630 4.991 4.556 -0.324 0.000 0.311 334 H C -1.345 174.011 175.328 0.046 0.000 1.071 334 H CA -0.550 55.521 56.048 0.039 0.000 1.307 334 H CB 0.987 30.770 29.762 0.035 0.000 1.416 334 H HN 0.449 nan 8.280 nan 0.000 0.464 335 V N 6.236 125.826 119.914 -0.540 0.000 2.531 335 V HA 0.091 4.016 4.120 -0.324 0.000 0.301 335 V C 0.290 176.091 176.094 -0.488 0.000 1.034 335 V CA -0.700 61.376 62.300 -0.373 0.000 0.865 335 V CB 1.883 33.606 31.823 -0.166 0.000 0.995 335 V HN 0.934 nan 8.190 nan 0.000 0.424 336 D N 3.240 123.470 120.400 -0.285 0.000 2.091 336 D HA -0.009 4.436 4.640 -0.324 0.000 0.199 336 D C 1.342 177.590 176.300 -0.086 0.000 0.980 336 D CA 1.695 55.616 54.000 -0.131 0.000 0.831 336 D CB 0.412 41.228 40.800 0.028 0.000 0.987 336 D HN 0.690 nan 8.370 nan 0.000 0.460 337 G N -0.057 108.702 108.800 -0.068 0.000 3.434 337 G HA2 0.202 3.968 3.960 -0.324 0.000 0.192 337 G HA3 0.202 3.968 3.960 -0.324 0.000 0.192 337 G C -0.185 174.667 174.900 -0.081 0.000 1.704 337 G CA -0.069 45.001 45.100 -0.050 0.000 0.936 337 G HN 0.031 nan 8.290 nan 0.000 0.623 338 T N 0.921 115.421 114.554 -0.090 0.000 2.799 338 T HA 0.429 4.585 4.350 -0.324 0.000 0.286 338 T C -0.620 173.924 174.700 -0.259 0.000 0.973 338 T CA -0.205 61.776 62.100 -0.198 0.000 1.035 338 T CB 1.632 70.334 68.868 -0.276 0.000 0.932 338 T HN 0.312 nan 8.240 nan 0.000 0.469 339 L N 5.157 126.236 121.223 -0.240 0.000 2.278 339 L HA 0.276 4.421 4.340 -0.324 0.000 0.287 339 L C -0.315 176.413 176.870 -0.236 0.000 1.072 339 L CA -0.086 54.652 54.840 -0.170 0.000 0.819 339 L CB -0.020 41.991 42.059 -0.081 0.000 1.176 339 L HN 0.619 nan 8.230 nan 0.000 0.435 340 H N 6.543 125.637 119.070 0.040 0.000 2.685 340 H HA 0.291 4.652 4.556 -0.324 0.000 0.286 340 H C -0.842 174.588 175.328 0.170 0.000 1.102 340 H CA -0.702 55.463 56.048 0.195 0.000 1.254 340 H CB 1.432 31.240 29.762 0.076 0.000 1.397 340 H HN 0.459 nan 8.280 nan 0.000 0.473 341 L N 4.890 126.284 121.223 0.284 0.000 2.272 341 L HA 0.302 4.448 4.340 -0.324 0.000 0.289 341 L C -1.036 175.990 176.870 0.259 0.000 1.032 341 L CA -0.528 54.418 54.840 0.176 0.000 0.810 341 L CB 0.856 42.956 42.059 0.069 0.000 1.205 341 L HN 0.398 nan 8.230 nan 0.000 0.422 342 L N 6.541 127.895 121.223 0.219 0.000 2.265 342 L HA 0.501 4.647 4.340 -0.324 0.000 0.288 342 L C -0.631 176.350 176.870 0.185 0.000 1.058 342 L CA 0.134 55.155 54.840 0.301 0.000 0.809 342 L CB 0.983 43.236 42.059 0.323 0.000 1.179 342 L HN 0.532 nan 8.230 nan 0.000 0.429 343 L N 3.337 124.626 121.223 0.109 0.000 2.386 343 L HA 0.990 5.136 4.340 -0.324 0.000 0.271 343 L C 0.202 176.767 176.870 -0.509 0.000 0.993 343 L CA -0.518 54.227 54.840 -0.158 0.000 0.819 343 L CB 2.079 44.022 42.059 -0.194 0.000 1.294 343 L HN 0.725 nan 8.230 nan 0.000 0.414 344 G N 0.687 109.078 108.800 -0.682 0.000 2.336 344 G HA2 0.509 4.275 3.960 -0.324 0.000 0.300 344 G HA3 0.509 4.275 3.960 -0.324 0.000 0.300 344 G C -0.651 173.853 174.900 -0.660 0.000 1.375 344 G CA 0.311 44.838 45.100 -0.955 0.000 0.885 344 G HN 1.123 nan 8.290 nan 0.000 0.599 345 G N -0.303 108.260 108.800 -0.396 0.000 2.341 345 G HA2 0.410 4.176 3.960 -0.324 0.000 0.196 345 G HA3 0.410 4.176 3.960 -0.324 0.000 0.196 345 G C -1.150 173.753 174.900 0.005 0.000 1.231 345 G CA 0.721 45.779 45.100 -0.070 0.000 1.155 345 G HN 1.722 nan 8.290 nan 0.000 0.529 346 D N 1.094 121.534 120.400 0.068 0.000 2.411 346 D HA 0.523 4.969 4.640 -0.324 0.000 0.225 346 D C 1.440 177.804 176.300 0.107 0.000 1.156 346 D CA 0.720 54.772 54.000 0.086 0.000 0.874 346 D CB 0.539 41.393 40.800 0.091 0.000 1.034 346 D HN 0.930 nan 8.370 nan 0.000 0.502 347 G N 2.979 111.880 108.800 0.169 0.000 2.848 347 G HA2 -0.136 3.630 3.960 -0.324 0.000 0.208 347 G HA3 -0.136 3.630 3.960 -0.324 0.000 0.208 347 G C 0.637 175.553 174.900 0.027 0.000 1.152 347 G CA -0.215 45.033 45.100 0.246 0.000 0.789 347 G HN 0.715 nan 8.290 nan 0.000 0.531 348 K N -0.409 120.005 120.400 0.022 0.000 3.035 348 K HA -0.220 3.906 4.320 -0.324 0.000 0.262 348 K C 1.013 177.570 176.600 -0.071 0.000 1.024 348 K CA 0.394 56.674 56.287 -0.012 0.000 0.748 348 K CB -1.797 30.698 32.500 -0.009 0.000 1.247 348 K HN 0.286 nan 8.250 nan 0.000 0.482 349 S N -3.174 112.472 115.700 -0.090 0.000 3.476 349 S HA -0.272 4.004 4.470 -0.324 0.000 0.309 349 S C 0.454 174.908 174.600 -0.243 0.000 1.222 349 S CA 0.796 58.915 58.200 -0.135 0.000 0.922 349 S CB -1.213 61.937 63.200 -0.083 0.000 1.023 349 S HN 0.810 nan 8.310 nan 0.000 0.591 350 A N 1.183 123.771 122.820 -0.386 0.000 2.445 350 A HA 0.431 4.556 4.320 -0.324 0.000 0.242 350 A C 0.303 177.465 177.584 -0.704 0.000 1.075 350 A CA -0.013 51.721 52.037 -0.505 0.000 0.777 350 A CB 0.233 18.916 19.000 -0.527 0.000 1.013 350 A HN 0.324 nan 8.150 nan 0.000 0.493 351 D N 1.486 121.633 120.400 -0.422 0.000 2.338 351 D HA 0.246 4.691 4.640 -0.324 0.000 0.255 351 D C -0.044 176.092 176.300 -0.273 0.000 1.237 351 D CA -0.072 53.743 54.000 -0.308 0.000 0.883 351 D CB -0.164 40.553 40.800 -0.138 0.000 1.087 351 D HN 0.316 nan 8.370 nan 0.000 0.485 352 F N 1.449 121.389 119.950 -0.017 0.000 2.811 352 F HA -0.022 4.311 4.527 -0.324 0.000 0.301 352 F C 2.570 178.370 175.800 0.000 0.000 1.151 352 F CA 0.238 58.230 58.000 -0.013 0.000 1.412 352 F CB -0.489 38.499 39.000 -0.021 0.000 1.113 352 F HN 0.380 nan 8.300 nan 0.000 0.579 353 S N 0.072 115.850 115.700 0.130 0.000 2.419 353 S HA -0.089 4.186 4.470 -0.324 0.000 0.233 353 S C -0.524 174.117 174.600 0.069 0.000 1.016 353 S CA 0.530 58.781 58.200 0.085 0.000 0.974 353 S CB -1.625 61.600 63.200 0.042 0.000 0.786 353 S HN 0.178 nan 8.310 nan 0.000 0.492 354 P HA -0.002 nan 4.420 nan 0.000 0.223 354 P C 1.127 178.521 177.300 0.156 0.000 1.144 354 P CA 0.782 63.933 63.100 0.085 0.000 0.783 354 P CB -0.204 31.549 31.700 0.089 0.000 0.771 355 L N -1.636 119.695 121.223 0.180 0.000 2.313 355 L HA -0.001 4.144 4.340 -0.324 0.000 0.214 355 L C 2.391 179.374 176.870 0.188 0.000 1.119 355 L CA 0.803 55.793 54.840 0.251 0.000 0.809 355 L CB -0.930 41.228 42.059 0.166 0.000 0.933 355 L HN -0.047 nan 8.230 nan 0.000 0.449 356 A N 1.549 124.416 122.820 0.078 0.000 1.940 356 A HA -0.239 3.886 4.320 -0.324 0.000 0.219 356 A C 2.348 179.907 177.584 -0.042 0.000 1.176 356 A CA 1.883 53.932 52.037 0.020 0.000 0.631 356 A CB -0.577 18.426 19.000 0.004 0.000 0.814 356 A HN 0.568 nan 8.150 nan 0.000 0.446 357 R N -2.031 118.377 120.500 -0.153 0.000 2.237 357 R HA -0.095 4.050 4.340 -0.324 0.000 0.219 357 R C 0.970 177.041 176.300 -0.382 0.000 1.080 357 R CA 1.593 57.509 56.100 -0.307 0.000 0.995 357 R CB -0.530 29.517 30.300 -0.421 0.000 0.875 357 R HN 0.533 nan 8.270 nan 0.000 0.462 358 Y N 0.442 120.736 120.300 -0.009 0.000 2.462 358 Y HA 0.281 4.637 4.550 -0.324 0.000 0.261 358 Y C 1.279 177.167 175.900 -0.020 0.000 1.146 358 Y CA -0.018 58.075 58.100 -0.012 0.000 1.283 358 Y CB 0.561 39.015 38.460 -0.009 0.000 1.090 358 Y HN -0.040 nan 8.280 nan 0.000 0.526 359 L N -0.163 121.107 121.223 0.078 0.000 2.769 359 L HA 0.209 4.355 4.340 -0.324 0.000 0.240 359 L C -0.030 176.838 176.870 -0.003 0.000 1.163 359 L CA -0.218 54.644 54.840 0.036 0.000 0.962 359 L CB -0.189 41.885 42.059 0.026 0.000 1.258 359 L HN 0.067 nan 8.230 nan 0.000 0.513 360 N N 1.330 120.023 118.700 -0.011 0.000 2.424 360 N HA 0.513 5.058 4.740 -0.324 0.000 0.257 360 N C 0.610 176.107 175.510 -0.021 0.000 1.250 360 N CA 0.876 53.912 53.050 -0.023 0.000 0.946 360 N CB 1.274 39.742 38.487 -0.032 0.000 1.175 360 N HN 0.206 nan 8.380 nan 0.000 0.477 361 G N 0.330 109.115 108.800 -0.025 0.000 2.592 361 G HA2 -0.187 3.579 3.960 -0.324 0.000 0.684 361 G HA3 -0.187 3.579 3.960 -0.324 0.000 0.684 361 G C -0.555 174.326 174.900 -0.032 0.000 1.291 361 G CA -0.499 44.586 45.100 -0.025 0.000 0.891 361 G HN 0.488 nan 8.290 nan 0.000 0.544 362 D N 0.287 120.668 120.400 -0.032 0.000 2.339 362 D HA 0.157 4.602 4.640 -0.324 0.000 0.217 362 D C 1.257 177.528 176.300 -0.049 0.000 1.050 362 D CA 0.349 54.329 54.000 -0.035 0.000 0.856 362 D CB 0.162 40.947 40.800 -0.025 0.000 0.922 362 D HN 0.303 nan 8.370 nan 0.000 0.518 363 N N 0.429 119.094 118.700 -0.058 0.000 2.480 363 N HA 0.111 4.657 4.740 -0.324 0.000 0.281 363 N C -0.992 174.450 175.510 -0.113 0.000 1.381 363 N CA 0.023 53.022 53.050 -0.084 0.000 0.903 363 N CB 2.237 40.679 38.487 -0.076 0.000 1.274 363 N HN -0.031 nan 8.380 nan 0.000 0.505 364 V N 0.652 120.501 119.914 -0.108 0.000 2.760 364 V HA 0.552 4.477 4.120 -0.324 0.000 0.309 364 V C -1.459 174.552 176.094 -0.140 0.000 1.077 364 V CA -0.630 61.598 62.300 -0.119 0.000 0.910 364 V CB 2.488 34.271 31.823 -0.067 0.000 1.008 364 V HN 0.034 nan 8.190 nan 0.000 0.424 365 R N 5.903 126.302 120.500 -0.169 0.000 2.686 365 R HA 0.654 4.800 4.340 -0.324 0.000 0.286 365 R C -1.417 174.714 176.300 -0.281 0.000 0.969 365 R CA -0.626 55.336 56.100 -0.231 0.000 0.898 365 R CB 2.034 32.228 30.300 -0.176 0.000 1.183 365 R HN 0.729 nan 8.270 nan 0.000 0.456 366 L N 2.970 123.938 121.223 -0.425 0.000 2.329 366 L HA 0.539 4.684 4.340 -0.324 0.000 0.279 366 L C -0.906 175.654 176.870 -0.518 0.000 1.014 366 L CA -0.933 53.727 54.840 -0.300 0.000 0.814 366 L CB 1.065 43.027 42.059 -0.162 0.000 1.257 366 L HN 0.466 nan 8.230 nan 0.000 0.424 367 Y N 1.274 121.626 120.300 0.087 0.000 2.363 367 Y HA 0.392 4.747 4.550 -0.324 0.000 0.325 367 Y C -0.325 175.689 175.900 0.190 0.000 0.984 367 Y CA -0.723 57.458 58.100 0.134 0.000 1.248 367 Y CB 1.599 40.152 38.460 0.155 0.000 1.116 367 Y HN 0.462 nan 8.280 nan 0.000 0.470 368 C N 5.127 124.563 119.300 0.227 0.000 2.351 368 C HA 0.826 5.091 4.460 -0.324 0.000 0.326 368 C C -0.203 174.909 174.990 0.204 0.000 1.272 368 C CA -0.996 58.087 59.018 0.108 0.000 1.650 368 C CB -0.925 26.794 27.740 -0.035 0.000 2.257 368 C HN 0.792 nan 8.230 nan 0.000 0.505 369 F N 0.155 120.131 119.950 0.043 0.000 2.869 369 F HA 0.937 5.269 4.527 -0.324 0.000 0.325 369 F C 0.402 176.236 175.800 0.057 0.000 1.184 369 F CA -0.057 57.980 58.000 0.062 0.000 0.951 369 F CB 0.327 39.386 39.000 0.098 0.000 1.421 369 F HN 1.158 nan 8.300 nan 0.000 0.501 370 G N 0.726 109.683 108.800 0.261 0.000 2.697 370 G HA2 -0.296 3.469 3.960 -0.324 0.000 0.240 370 G HA3 -0.296 3.469 3.960 -0.324 0.000 0.240 370 G C 0.576 175.501 174.900 0.041 0.000 1.346 370 G CA 0.473 45.655 45.100 0.138 0.000 0.887 370 G HN 1.263 nan 8.290 nan 0.000 0.569 371 R N -0.518 120.006 120.500 0.039 0.000 2.096 371 R HA -0.130 4.016 4.340 -0.324 0.000 0.240 371 R C 1.226 177.539 176.300 0.022 0.000 1.139 371 R CA 2.346 58.467 56.100 0.035 0.000 0.952 371 R CB -0.288 30.039 30.300 0.046 0.000 0.854 371 R HN 0.534 nan 8.270 nan 0.000 0.436 372 D N -1.014 119.386 120.400 0.001 0.000 2.427 372 D HA 0.105 4.551 4.640 -0.324 0.000 0.224 372 D C 1.136 177.391 176.300 -0.075 0.000 1.157 372 D CA 0.335 54.344 54.000 0.015 0.000 0.828 372 D CB 0.652 41.529 40.800 0.129 0.000 0.974 372 D HN 0.459 nan 8.370 nan 0.000 0.498 373 G N 1.188 109.936 108.800 -0.087 0.000 2.442 373 G HA2 -0.274 3.491 3.960 -0.324 0.000 0.219 373 G HA3 -0.274 3.491 3.960 -0.324 0.000 0.219 373 G C 1.645 176.505 174.900 -0.066 0.000 1.141 373 G CA 0.983 46.022 45.100 -0.102 0.000 0.763 373 G HN 0.378 nan 8.290 nan 0.000 0.554 374 A N 0.142 122.949 122.820 -0.023 0.000 1.898 374 A HA -0.064 4.061 4.320 -0.324 0.000 0.216 374 A C 2.279 179.856 177.584 -0.011 0.000 1.181 374 A CA 1.998 54.030 52.037 -0.008 0.000 0.620 374 A CB -0.497 18.509 19.000 0.010 0.000 0.819 374 A HN 0.463 nan 8.150 nan 0.000 0.442 375 Q N -0.522 119.282 119.800 0.007 0.000 2.124 375 Q HA -0.126 4.020 4.340 -0.324 0.000 0.202 375 Q C 1.913 177.902 176.000 -0.018 0.000 0.977 375 Q CA 1.551 57.388 55.803 0.057 0.000 0.850 375 Q CB -0.223 28.628 28.738 0.188 0.000 0.901 375 Q HN 0.676 nan 8.270 nan 0.000 0.429 376 L N -0.206 120.903 121.223 -0.190 0.000 2.072 376 L HA -0.078 4.067 4.340 -0.324 0.000 0.205 376 L C 2.531 179.306 176.870 -0.157 0.000 1.079 376 L CA 0.915 55.563 54.840 -0.320 0.000 0.752 376 L CB -0.548 41.221 42.059 -0.482 0.000 0.906 376 L HN 0.258 nan 8.230 nan 0.000 0.436 377 A N 0.147 122.903 122.820 -0.107 0.000 1.986 377 A HA -0.218 3.907 4.320 -0.324 0.000 0.220 377 A C 2.421 179.976 177.584 -0.048 0.000 1.171 377 A CA 1.755 53.751 52.037 -0.069 0.000 0.640 377 A CB -0.739 18.235 19.000 -0.044 0.000 0.811 377 A HN 0.409 nan 8.150 nan 0.000 0.451 378 A N -0.607 122.195 122.820 -0.030 0.000 2.172 378 A HA 0.126 4.251 4.320 -0.324 0.000 0.216 378 A C 1.962 179.543 177.584 -0.004 0.000 1.154 378 A CA 1.048 53.080 52.037 -0.009 0.000 0.701 378 A CB -0.550 18.457 19.000 0.012 0.000 0.789 378 A HN 0.497 nan 8.150 nan 0.000 0.465 379 L N -1.794 119.422 121.223 -0.011 0.000 2.131 379 L HA -0.033 4.112 4.340 -0.324 0.000 0.210 379 L C 1.701 178.563 176.870 -0.013 0.000 1.092 379 L CA 1.194 56.033 54.840 -0.001 0.000 0.759 379 L CB -0.054 42.003 42.059 -0.005 0.000 0.903 379 L HN 0.412 nan 8.230 nan 0.000 0.435 380 R N -1.273 119.210 120.500 -0.029 0.000 3.107 380 R HA 0.148 4.294 4.340 -0.324 0.000 0.224 380 R C -2.238 174.036 176.300 -0.043 0.000 1.734 380 R CA -0.935 55.145 56.100 -0.033 0.000 1.303 380 R CB 0.894 31.172 30.300 -0.036 0.000 1.570 380 R HN -0.185 nan 8.270 nan 0.000 0.606 381 P HA -0.239 nan 4.420 nan 0.000 0.216 381 P C 0.942 178.218 177.300 -0.040 0.000 1.150 381 P CA 1.204 64.284 63.100 -0.034 0.000 0.843 381 P CB 0.254 31.941 31.700 -0.021 0.000 0.787 382 E N 0.115 120.293 120.200 -0.037 0.000 2.268 382 E HA -0.101 4.054 4.350 -0.324 0.000 0.195 382 E C 1.402 177.971 176.600 -0.050 0.000 0.995 382 E CA 1.603 57.981 56.400 -0.036 0.000 0.836 382 E CB -0.821 28.863 29.700 -0.028 0.000 0.763 382 E HN 0.289 nan 8.360 nan 0.000 0.491 383 V N -2.318 117.554 119.914 -0.069 0.000 3.319 383 V HA 0.631 4.557 4.120 -0.324 0.000 0.317 383 V C 0.555 176.551 176.094 -0.163 0.000 1.411 383 V CA -0.192 62.047 62.300 -0.102 0.000 1.112 383 V CB 0.114 31.879 31.823 -0.097 0.000 1.031 383 V HN 0.309 nan 8.190 nan 0.000 0.448 384 A N 0.499 123.238 122.820 -0.135 0.000 2.337 384 A HA 0.842 4.968 4.320 -0.324 0.000 0.329 384 A C -0.226 177.280 177.584 -0.130 0.000 1.146 384 A CA -0.579 51.361 52.037 -0.162 0.000 0.800 384 A CB 1.132 20.070 19.000 -0.104 0.000 1.220 384 A HN 0.438 nan 8.150 nan 0.000 0.472 385 E N 1.024 121.135 120.200 -0.149 0.000 2.227 385 E HA 0.364 4.520 4.350 -0.324 0.000 0.268 385 E C -1.065 175.559 176.600 0.039 0.000 0.907 385 E CA -0.565 55.822 56.400 -0.022 0.000 0.786 385 E CB 2.343 32.077 29.700 0.056 0.000 1.191 385 E HN 0.699 nan 8.360 nan 0.000 0.411 386 Q N 1.357 121.195 119.800 0.063 0.000 2.337 386 Q HA 0.415 4.560 4.340 -0.324 0.000 0.266 386 Q C -1.056 175.013 176.000 0.116 0.000 1.023 386 Q CA -0.423 55.433 55.803 0.088 0.000 0.829 386 Q CB 1.686 30.453 28.738 0.049 0.000 1.306 386 Q HN 0.711 nan 8.270 nan 0.000 0.449 387 T N -1.056 113.596 114.554 0.163 0.000 2.888 387 T HA 0.293 4.449 4.350 -0.324 0.000 0.288 387 T C 0.626 175.426 174.700 0.167 0.000 1.063 387 T CA -0.750 61.438 62.100 0.148 0.000 1.010 387 T CB 1.568 70.525 68.868 0.148 0.000 1.214 387 T HN 0.701 nan 8.240 nan 0.000 0.533 388 E N 0.493 120.767 120.200 0.124 0.000 2.046 388 E HA -0.008 4.147 4.350 -0.324 0.000 0.190 388 E C 0.728 177.436 176.600 0.181 0.000 0.982 388 E CA 1.254 57.729 56.400 0.125 0.000 0.800 388 E CB 0.003 29.744 29.700 0.067 0.000 0.756 388 E HN 0.843 nan 8.360 nan 0.000 0.449 389 T N -2.972 111.647 114.554 0.107 0.000 2.932 389 T HA 0.261 4.417 4.350 -0.324 0.000 0.289 389 T C 0.887 175.445 174.700 -0.237 0.000 1.039 389 T CA -0.770 61.339 62.100 0.014 0.000 1.024 389 T CB 1.537 70.377 68.868 -0.047 0.000 1.090 389 T HN 0.066 nan 8.240 nan 0.000 0.496 390 M N 0.385 119.597 119.600 -0.646 0.000 2.159 390 M HA -0.049 4.237 4.480 -0.324 0.000 0.263 390 M C 2.242 178.342 176.300 -0.333 0.000 1.063 390 M CA 1.961 56.653 55.300 -1.012 0.000 1.110 390 M CB -0.384 31.688 32.600 -0.881 0.000 1.374 390 M HN 0.986 nan 8.290 nan 0.000 0.411 391 E N 0.014 120.118 120.200 -0.161 0.000 2.085 391 E HA -0.285 3.870 4.350 -0.324 0.000 0.194 391 E C 1.863 178.420 176.600 -0.072 0.000 0.994 391 E CA 1.862 58.212 56.400 -0.083 0.000 0.801 391 E CB -0.103 29.566 29.700 -0.052 0.000 0.743 391 E HN 0.656 nan 8.360 nan 0.000 0.453 392 Q N -0.102 119.661 119.800 -0.061 0.000 2.096 392 Q HA -0.176 3.970 4.340 -0.324 0.000 0.204 392 Q C 2.222 178.219 176.000 -0.005 0.000 0.982 392 Q CA 1.527 57.319 55.803 -0.019 0.000 0.850 392 Q CB -0.200 28.544 28.738 0.010 0.000 0.901 392 Q HN 0.394 nan 8.270 nan 0.000 0.422 393 A N 0.641 123.451 122.820 -0.017 0.000 1.902 393 A HA -0.191 3.935 4.320 -0.324 0.000 0.217 393 A C 2.041 179.586 177.584 -0.064 0.000 1.181 393 A CA 1.468 53.528 52.037 0.038 0.000 0.623 393 A CB -0.458 18.598 19.000 0.093 0.000 0.818 393 A HN 0.298 nan 8.150 nan 0.000 0.443 394 M N -1.153 118.404 119.600 -0.070 0.000 2.156 394 M HA -0.100 4.185 4.480 -0.324 0.000 0.264 394 M C 2.299 178.556 176.300 -0.071 0.000 1.067 394 M CA 1.296 56.559 55.300 -0.062 0.000 1.131 394 M CB -0.317 32.272 32.600 -0.019 0.000 1.368 394 M HN 0.329 nan 8.290 nan 0.000 0.416 395 R N 0.100 120.566 120.500 -0.056 0.000 2.148 395 R HA -0.100 4.045 4.340 -0.324 0.000 0.227 395 R C 2.112 178.391 176.300 -0.035 0.000 1.103 395 R CA 0.894 56.968 56.100 -0.042 0.000 0.983 395 R CB -0.471 29.809 30.300 -0.032 0.000 0.874 395 R HN 0.250 nan 8.270 nan 0.000 0.451 396 L N 1.418 122.623 121.223 -0.031 0.000 2.027 396 L HA -0.113 4.033 4.340 -0.324 0.000 0.206 396 L C 2.038 178.872 176.870 -0.059 0.000 1.074 396 L CA 1.537 56.381 54.840 0.008 0.000 0.745 396 L CB -0.413 41.706 42.059 0.100 0.000 0.898 396 L HN 0.139 nan 8.230 nan 0.000 0.433 397 L N -1.983 119.064 121.223 -0.293 0.000 2.179 397 L HA 0.235 4.381 4.340 -0.324 0.000 0.208 397 L C 2.438 179.119 176.870 -0.315 0.000 1.096 397 L CA 1.647 56.171 54.840 -0.527 0.000 0.779 397 L CB -1.739 39.542 42.059 -1.296 0.000 0.922 397 L HN 0.077 nan 8.230 nan 0.000 0.443 398 A N 1.052 123.776 122.820 -0.160 0.000 1.883 398 A HA -0.072 4.053 4.320 -0.324 0.000 0.217 398 A C 0.549 178.109 177.584 -0.041 0.000 1.186 398 A CA 2.064 54.084 52.037 -0.029 0.000 0.624 398 A CB -2.113 16.925 19.000 0.065 0.000 0.822 398 A HN 0.493 nan 8.150 nan 0.000 0.444 399 P HA -0.136 nan 4.420 nan 0.000 0.219 399 P C 1.131 178.428 177.300 -0.004 0.000 1.146 399 P CA 1.070 64.171 63.100 0.002 0.000 0.808 399 P CB -0.104 31.605 31.700 0.014 0.000 0.779 400 R N -1.121 119.359 120.500 -0.033 0.000 2.275 400 R HA 0.101 4.247 4.340 -0.324 0.000 0.199 400 R C 0.273 176.552 176.300 -0.035 0.000 0.989 400 R CA 0.107 56.214 56.100 0.013 0.000 1.016 400 R CB -0.345 30.021 30.300 0.111 0.000 0.918 400 R HN 0.101 nan 8.270 nan 0.000 0.473 401 V N 2.959 122.759 119.914 -0.190 0.000 2.521 401 V HA 0.003 3.929 4.120 -0.324 0.000 0.286 401 V C 0.221 176.296 176.094 -0.031 0.000 1.034 401 V CA 0.395 62.556 62.300 -0.230 0.000 1.045 401 V CB 1.181 32.777 31.823 -0.378 0.000 0.974 401 V HN 0.161 nan 8.190 nan 0.000 0.480 402 Q N 5.392 125.211 119.800 0.032 0.000 2.351 402 Q HA 0.479 4.625 4.340 -0.324 0.000 0.273 402 Q C -2.603 173.413 176.000 0.026 0.000 1.077 402 Q CA -2.451 53.377 55.803 0.041 0.000 0.843 402 Q CB 1.599 30.371 28.738 0.057 0.000 1.367 402 Q HN 0.374 nan 8.270 nan 0.000 0.449 403 P HA 0.036 nan 4.420 nan 0.000 0.262 403 P C 0.632 177.943 177.300 0.017 0.000 1.182 403 P CA 1.301 64.412 63.100 0.017 0.000 0.761 403 P CB 0.285 31.996 31.700 0.019 0.000 0.795 404 G N 1.830 110.638 108.800 0.013 0.000 2.234 404 G HA2 -0.189 3.576 3.960 -0.324 0.000 0.235 404 G HA3 -0.189 3.576 3.960 -0.324 0.000 0.235 404 G C 0.067 174.964 174.900 -0.005 0.000 0.997 404 G CA -0.224 44.883 45.100 0.011 0.000 0.623 404 G HN 0.498 nan 8.290 nan 0.000 0.514 405 D N 0.239 120.636 120.400 -0.005 0.000 2.358 405 D HA 0.565 5.010 4.640 -0.324 0.000 0.244 405 D C 0.638 176.904 176.300 -0.057 0.000 1.163 405 D CA 0.203 54.201 54.000 -0.004 0.000 0.945 405 D CB 0.909 41.762 40.800 0.088 0.000 1.152 405 D HN 0.403 nan 8.370 nan 0.000 0.451 406 M N 0.884 120.455 119.600 -0.048 0.000 2.326 406 M HA 0.389 4.675 4.480 -0.324 0.000 0.306 406 M C -1.847 174.384 176.300 -0.115 0.000 1.054 406 M CA -0.784 54.454 55.300 -0.103 0.000 0.922 406 M CB 1.665 34.239 32.600 -0.043 0.000 1.632 406 M HN -0.016 nan 8.290 nan 0.000 0.436 407 V N 5.664 125.398 119.914 -0.300 0.000 2.370 407 V HA 0.486 4.412 4.120 -0.324 0.000 0.279 407 V C -0.940 175.146 176.094 -0.014 0.000 1.029 407 V CA -0.715 61.454 62.300 -0.217 0.000 0.870 407 V CB 1.319 32.765 31.823 -0.628 0.000 0.984 407 V HN 0.732 nan 8.190 nan 0.000 0.451 408 L N 6.822 128.050 121.223 0.008 0.000 2.377 408 L HA 0.585 4.731 4.340 -0.324 0.000 0.270 408 L C -0.789 176.006 176.870 -0.124 0.000 0.991 408 L CA -0.525 54.261 54.840 -0.089 0.000 0.851 408 L CB 1.485 43.501 42.059 -0.072 0.000 1.218 408 L HN 0.625 nan 8.230 nan 0.000 0.420 409 L N 4.482 125.466 121.223 -0.398 0.000 2.363 409 L HA 0.503 4.649 4.340 -0.324 0.000 0.286 409 L C -0.076 176.637 176.870 -0.262 0.000 1.106 409 L CA 0.848 55.434 54.840 -0.422 0.000 0.859 409 L CB 0.467 41.913 42.059 -1.021 0.000 1.223 409 L HN 0.729 nan 8.230 nan 0.000 0.446 410 S N 6.547 122.178 115.700 -0.115 0.000 2.293 410 S HA 0.489 4.765 4.470 -0.324 0.000 0.154 410 S C -2.018 172.547 174.600 -0.058 0.000 1.602 410 S CA -0.793 57.361 58.200 -0.077 0.000 1.260 410 S CB 0.626 63.803 63.200 -0.037 0.000 1.270 410 S HN 0.581 nan 8.310 nan 0.000 0.416 411 P HA 0.226 nan 4.420 nan 0.000 0.236 411 P C 0.779 178.017 177.300 -0.103 0.000 1.177 411 P CA 0.964 64.016 63.100 -0.079 0.000 0.773 411 P CB -0.013 31.656 31.700 -0.051 0.000 0.878 412 A N -2.669 120.120 122.820 -0.051 0.000 2.979 412 A HA -0.200 3.926 4.320 -0.324 0.000 0.260 412 A C 0.436 178.068 177.584 0.080 0.000 1.282 412 A CA 1.067 53.113 52.037 0.015 0.000 0.971 412 A CB -2.603 16.427 19.000 0.050 0.000 1.124 412 A HN 0.394 nan 8.150 nan 0.000 0.826 413 C N -1.344 117.968 119.300 0.020 0.000 3.090 413 C HA 0.806 5.071 4.460 -0.324 0.000 0.305 413 C C 0.943 175.955 174.990 0.037 0.000 1.292 413 C CA -0.616 58.433 59.018 0.051 0.000 1.482 413 C CB 1.505 29.256 27.740 0.019 0.000 1.897 413 C HN 1.738 nan 8.230 nan 0.000 0.469 414 A N 1.206 124.064 122.820 0.063 0.000 2.425 414 A HA 0.437 4.563 4.320 -0.324 0.000 0.242 414 A C 1.146 178.811 177.584 0.135 0.000 1.077 414 A CA 0.610 52.707 52.037 0.100 0.000 0.781 414 A CB 0.161 19.232 19.000 0.119 0.000 1.020 414 A HN 1.494 nan 8.150 nan 0.000 0.494 415 S N 1.100 116.908 115.700 0.178 0.000 2.575 415 S HA 0.060 4.336 4.470 -0.324 0.000 0.215 415 S C 1.162 175.964 174.600 0.337 0.000 0.966 415 S CA 0.327 58.696 58.200 0.281 0.000 0.911 415 S CB -0.466 62.837 63.200 0.172 0.000 0.780 415 S HN 0.580 nan 8.310 nan 0.000 0.514 416 L N 2.317 123.671 121.223 0.219 0.000 2.456 416 L HA -0.035 4.110 4.340 -0.324 0.000 0.224 416 L C 2.325 179.280 176.870 0.141 0.000 1.148 416 L CA 1.083 56.029 54.840 0.177 0.000 0.825 416 L CB -0.723 41.420 42.059 0.139 0.000 0.937 416 L HN 0.432 nan 8.230 nan 0.000 0.450 417 D N 0.002 120.489 120.400 0.144 0.000 2.178 417 D HA -0.231 4.215 4.640 -0.324 0.000 0.202 417 D C 1.615 177.949 176.300 0.056 0.000 0.974 417 D CA 1.245 55.302 54.000 0.095 0.000 0.841 417 D CB 0.009 40.863 40.800 0.090 0.000 0.953 417 D HN 0.454 nan 8.370 nan 0.000 0.478 418 Q N -1.689 118.150 119.800 0.064 0.000 2.179 418 Q HA 0.259 4.404 4.340 -0.324 0.000 0.244 418 Q C -0.515 175.222 176.000 -0.439 0.000 0.808 418 Q CA -0.177 55.504 55.803 -0.203 0.000 0.955 418 Q CB 1.239 29.786 28.738 -0.318 0.000 1.141 418 Q HN 0.138 nan 8.270 nan 0.000 0.485 419 F N -0.714 119.277 119.950 0.069 0.000 2.620 419 F HA 0.376 4.708 4.527 -0.324 0.000 0.320 419 F C 0.988 176.807 175.800 0.032 0.000 1.069 419 F CA -1.034 56.995 58.000 0.048 0.000 0.953 419 F CB 1.377 40.412 39.000 0.059 0.000 1.322 419 F HN -0.362 nan 8.300 nan 0.000 0.479 420 K N 0.373 120.899 120.400 0.210 0.000 2.097 420 K HA -0.070 4.056 4.320 -0.324 0.000 0.206 420 K C -0.358 176.292 176.600 0.083 0.000 1.049 420 K CA 1.493 57.843 56.287 0.107 0.000 0.933 420 K CB -0.208 32.327 32.500 0.058 0.000 0.717 420 K HN 0.748 nan 8.250 nan 0.000 0.442 421 N N -2.316 116.422 118.700 0.064 0.000 3.355 421 N HA -0.038 4.508 4.740 -0.324 0.000 0.238 421 N C 0.278 175.712 175.510 -0.127 0.000 1.466 421 N CA -0.729 52.303 53.050 -0.030 0.000 0.882 421 N CB -0.173 38.215 38.487 -0.165 0.000 1.406 421 N HN -0.094 nan 8.380 nan 0.000 0.500 422 F N -0.944 118.943 119.950 -0.106 0.000 2.333 422 F HA 0.249 4.581 4.527 -0.325 0.000 0.300 422 F C 1.394 176.966 175.800 -0.379 0.000 1.083 422 F CA 0.866 58.740 58.000 -0.210 0.000 1.395 422 F CB -0.457 38.456 39.000 -0.145 0.000 1.056 422 F HN 0.533 nan 8.300 nan 0.000 0.529 423 E N 0.718 120.208 120.200 -1.184 0.000 2.072 423 E HA -0.235 3.920 4.350 -0.324 0.000 0.191 423 E C 2.265 178.580 176.600 -0.476 0.000 0.985 423 E CA 1.528 57.264 56.400 -1.107 0.000 0.801 423 E CB -0.459 28.756 29.700 -0.807 0.000 0.750 423 E HN 0.677 nan 8.360 nan 0.000 0.452 424 Q N 0.726 120.356 119.800 -0.283 0.000 2.084 424 Q HA -0.211 3.934 4.340 -0.324 0.000 0.202 424 Q C 2.299 178.239 176.000 -0.099 0.000 0.978 424 Q CA 1.366 57.125 55.803 -0.073 0.000 0.844 424 Q CB 0.008 28.784 28.738 0.063 0.000 0.898 424 Q HN 0.119 nan 8.270 nan 0.000 0.426 425 R N -0.479 119.775 120.500 -0.410 0.000 2.083 425 R HA -0.139 4.006 4.340 -0.324 0.000 0.237 425 R C 2.201 178.363 176.300 -0.230 0.000 1.137 425 R CA 1.719 57.334 56.100 -0.809 0.000 0.951 425 R CB -0.675 28.920 30.300 -1.175 0.000 0.851 425 R HN 0.384 nan 8.270 nan 0.000 0.434 426 G N 0.743 109.488 108.800 -0.092 0.000 2.421 426 G HA2 -0.283 3.483 3.960 -0.324 0.000 0.216 426 G HA3 -0.283 3.483 3.960 -0.324 0.000 0.216 426 G C 1.151 176.229 174.900 0.297 0.000 1.171 426 G CA 0.836 46.071 45.100 0.224 0.000 0.775 426 G HN 0.343 nan 8.290 nan 0.000 0.543 427 N N 0.816 119.649 118.700 0.222 0.000 2.120 427 N HA -0.074 4.472 4.740 -0.324 0.000 0.188 427 N C 2.134 177.709 175.510 0.110 0.000 1.024 427 N CA 1.201 54.350 53.050 0.166 0.000 0.852 427 N CB -0.362 38.195 38.487 0.117 0.000 1.003 427 N HN 0.518 nan 8.380 nan 0.000 0.424 428 E N -0.173 120.094 120.200 0.112 0.000 2.077 428 E HA -0.150 4.006 4.350 -0.324 0.000 0.193 428 E C 1.678 178.334 176.600 0.092 0.000 0.989 428 E CA 0.600 57.065 56.400 0.109 0.000 0.800 428 E CB -0.206 29.614 29.700 0.201 0.000 0.746 428 E HN 0.307 nan 8.360 nan 0.000 0.452 429 F N 1.459 121.408 119.950 -0.002 0.000 2.095 429 F HA -0.226 4.107 4.527 -0.324 0.000 0.298 429 F C 2.146 177.933 175.800 -0.021 0.000 1.104 429 F CA 1.573 59.572 58.000 -0.003 0.000 1.232 429 F CB -0.311 38.700 39.000 0.019 0.000 0.987 429 F HN -0.046 nan 8.300 nan 0.000 0.475 430 A N 0.751 123.582 122.820 0.017 0.000 1.902 430 A HA -0.209 3.917 4.320 -0.324 0.000 0.217 430 A C 2.394 179.832 177.584 -0.245 0.000 1.181 430 A CA 1.735 53.698 52.037 -0.123 0.000 0.623 430 A CB -0.932 18.083 19.000 0.026 0.000 0.818 430 A HN 0.519 nan 8.150 nan 0.000 0.443 431 R N -0.319 120.086 120.500 -0.159 0.000 2.073 431 R HA -0.076 4.070 4.340 -0.324 0.000 0.234 431 R C 1.935 178.084 176.300 -0.251 0.000 1.134 431 R CA 1.682 57.682 56.100 -0.166 0.000 0.952 431 R CB -0.401 29.845 30.300 -0.091 0.000 0.850 431 R HN 0.509 nan 8.270 nan 0.000 0.433 432 L N 0.237 121.291 121.223 -0.281 0.000 2.093 432 L HA -0.053 4.092 4.340 -0.324 0.000 0.208 432 L C 2.764 179.313 176.870 -0.534 0.000 1.085 432 L CA 1.092 55.737 54.840 -0.325 0.000 0.755 432 L CB -0.541 41.373 42.059 -0.241 0.000 0.904 432 L HN 0.323 nan 8.230 nan 0.000 0.435 433 A N 0.409 122.768 122.820 -0.768 0.000 1.908 433 A HA -0.250 3.876 4.320 -0.324 0.000 0.218 433 A C 2.326 179.277 177.584 -1.055 0.000 1.181 433 A CA 1.916 53.240 52.037 -1.187 0.000 0.627 433 A CB -0.368 17.982 19.000 -1.083 0.000 0.818 433 A HN 0.329 nan 8.150 nan 0.000 0.445 434 K N -0.695 119.318 120.400 -0.645 0.000 2.097 434 K HA -0.125 4.001 4.320 -0.324 0.000 0.205 434 K C 2.155 178.508 176.600 -0.412 0.000 1.050 434 K CA 1.284 57.281 56.287 -0.483 0.000 0.938 434 K CB -0.093 32.213 32.500 -0.324 0.000 0.718 434 K HN 0.715 nan 8.250 nan 0.000 0.442 435 E N 1.108 121.087 120.200 -0.368 0.000 2.028 435 E HA -0.177 3.979 4.350 -0.324 0.000 0.191 435 E C 1.797 178.220 176.600 -0.296 0.000 0.988 435 E CA 1.062 57.297 56.400 -0.276 0.000 0.799 435 E CB 0.072 29.643 29.700 -0.216 0.000 0.755 435 E HN 0.210 nan 8.360 nan 0.000 0.447 436 L N -0.351 120.633 121.223 -0.398 0.000 2.341 436 L HA 0.110 4.255 4.340 -0.324 0.000 0.214 436 L C 2.200 178.872 176.870 -0.330 0.000 1.115 436 L CA 0.656 55.309 54.840 -0.313 0.000 0.820 436 L CB 0.124 42.030 42.059 -0.256 0.000 0.944 436 L HN 0.186 nan 8.230 nan 0.000 0.452 437 G N -0.805 107.633 108.800 -0.603 0.000 3.141 437 G HA2 0.076 3.842 3.960 -0.324 0.000 0.218 437 G HA3 0.076 3.842 3.960 -0.324 0.000 0.218 437 G C 0.407 175.221 174.900 -0.144 0.000 1.170 437 G CA 0.415 45.265 45.100 -0.418 0.000 0.769 437 G HN 0.363 nan 8.290 nan 0.000 0.546 438 S N -1.309 114.274 115.700 -0.195 0.000 2.634 438 S HA 0.617 4.893 4.470 -0.324 0.000 0.296 438 S C -0.593 173.903 174.600 -0.174 0.000 1.104 438 S CA -0.901 57.216 58.200 -0.138 0.000 0.920 438 S CB 1.749 64.838 63.200 -0.184 0.000 1.111 438 S HN 0.287 nan 8.310 nan 0.000 0.493 439 H N 0.000 119.105 119.070 0.058 0.000 2.539 439 H HA 0.000 4.362 4.556 -0.324 0.000 0.296 439 H CA 0.000 56.062 56.048 0.023 0.000 1.023 439 H CB 0.000 29.780 29.762 0.031 0.000 1.292 439 H HN 0.000 nan 8.280 nan 0.000 0.496